smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCNC(=O)NNC(=O)CNC(=O)OC(C)(C)C 49378083 PZEALPIPLZOUMV-UHFFFAOYSA-N 260.294 -0.139 50 20 CBGD Cn1cnn(CC(=O)NNc2ccccc2[N+](=O)[O-])c1=O 179881707 CJCDSCGVIGJMNG-UHFFFAOYSA-N 292.255 -0.367 50 20 CBGD O=C(CN1CCCCC1=O)NNC(=O)c1ccncc1 192478549 HRUQBOVTMROVDH-UHFFFAOYSA-N 276.296 -0.145 50 20 CBGD COc1ccnc(NNC(=O)Cc2cnn(C)c2)n1 195473339 UDPDVBNUSDSVML-UHFFFAOYSA-N 262.273 -0.096 50 20 CBGD COC(=O)[C@H]1C[C@H]1C(=O)NNC(=O)NCC(F)(F)F 263655276 MVRTXQHJMZNIBV-UHNVWZDZSA-N 283.206 -0.312 50 20 CBGD CC(C)CONC(=O)NNC(=O)CNC(=O)c1ccco1 269675618 PLWPATDPAAXKLY-UHFFFAOYSA-N 298.299 -0.073 50 20 CBGD C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NNc1ncncc1F 293384443 OJSVZMCETPHIEX-HTRCEHHLSA-N 282.279 -0.234 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cnc2n1CCCC2 371828548 JOFROFLTYJCULK-UHFFFAOYSA-N 288.311 -0.054 50 20 CBGD CC(C)(C)OC(=O)N(CC(=O)NNC(=O)CO)C1CC1 495173747 LXUPRZMGWOATCI-UHFFFAOYSA-N 287.316 -0.474 50 20 CBGD COC(=O)N(C)CCCC(=O)NNC(=O)Cc1cc[nH]n1 495269017 AMTKIXVNWKXMJY-UHFFFAOYSA-N 297.315 -0.422 50 20 CBGD OB(O)c1ccc(OCCCO[C@@H]2CCOC2)cc1 584909018 AELBHCYVKOVZJU-CYBMUJFWSA-N 266.102 -0.059 50 20 CBGD CC[C@@](C)(O)CNC(=O)c1ccc(B(O)O)cc1 584954518 LWEIDSVVTSUWCA-GFCCVEGCSA-N 251.091 -0.743 50 20 CBGD CS[C@@H](C)CNC(=O)c1ccc(B(O)O)c(F)c1 584964815 JIJHKGMGEGYDSF-ZETCQYMHSA-N 271.122 -0.013 50 20 CBGD CC(C)C[C@@H](CO)NC(=O)c1cccc(B(O)O)c1 584967602 XUOYHFXZWPVFLV-LBPRGKRZSA-N 265.118 -0.497 50 20 CBGD C[S@](=O)C1(CNC(=O)c2cccc(B(O)O)c2)CCC1 584986568 ZWAUBSLIZWQWHB-FQEVSTJZSA-N 295.169 -0.603 50 20 CBGD OCC[C@@]1(CNCc2ccc(B(O)O)cc2F)CCOC1 585031162 SMDZACXPYNGSMW-AWEZNQCLSA-N 297.135 -0.616 50 20 CBGD CCn1cc(CNCc2ccccc2B(O)O)nn1 585047866 WPDAHMNTRKQPCN-UHFFFAOYSA-N 260.106 -0.732 50 20 CBGD OB(O)[C@H]1CCN(c2cc(N3CCOCC3)ncn2)C1 585072876 GFFPYRIHPUUPMP-JTQLQIEISA-N 278.121 -0.634 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)CN1CSCC1=O 747325988 FCTCSBXMEAFDLF-UHFFFAOYSA-N 294.336 -0.696 50 20 CBGD O=C(Cn1cnnn1)NNc1ccc([N+](=O)[O-])cc1 747987967 OTXAKCJQZKWESJ-UHFFFAOYSA-N 263.217 -0.275 50 20 CBGD CO[C@H](C)CC(=O)NNC(=O)C(=O)N1CCCC1 749601589 UFCANQLNWSZGKD-MRVPVSSYSA-N 257.290 -0.819 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C 757799459 VWGCDDNXZNTEDT-MWLCHTKSSA-N 284.360 -0.164 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCOC[C@@H]1OCC 760131245 KKPZBTXSLWAMAC-ZJUUUORDSA-N 289.332 -0.453 50 20 CBGD O=C(CN1CCS[C@H]2COCC[C@H]21)NNC(=O)C1CC1 767914013 WZYJMHOAAKEGLJ-MNOVXSKESA-N 299.396 -0.250 50 20 CBGD COc1cc(C)cnc1C(=O)NNC(=O)C(C)(C)O 768260127 SFKQQCZUILQRKR-UHFFFAOYSA-N 267.285 -0.069 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)C2(O)CCOCC2)c1 772853541 OMQXEVHSTZRFOL-UHFFFAOYSA-N 289.291 -0.139 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]1CCCOC1 779774219 SHFYKUQWMBFDHX-NXEZZACHSA-N 291.373 -0.157 50 20 CBGD CC(C)[C@H](NS(C)(=O)=O)C(=O)NN=c1cc[nH]cc1 781020537 YUKCBTADXLXLGJ-JTQLQIEISA-N 286.357 -0.480 50 20 CBGD CCNC(=O)NNC(=O)[C@](C)(O)Cn1ccc(C)cc1=O 791128500 QDZARTBKYOVLNZ-CYBMUJFWSA-N 296.327 -0.742 50 20 CBGD Cc1cnc(COCC(=O)NNC(=O)N2CCOCC2)o1 795819304 LULOTBXWZQLKEP-UHFFFAOYSA-N 298.299 -0.427 50 20 CBGD N#Cc1ccc(Cl)c(C(=O)NNC(=O)CO)c1 807195840 MFOSHGVKKQJWQN-UHFFFAOYSA-N 253.645 -0.035 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C=C1/SCC(=O)N1C 824016985 XJKXUBTUOGPZLK-JKZCDSEZSA-N 299.352 -0.395 50 20 CBGD CCCN1C[C@@H](C(=O)NNC(=O)C(C)(C)O)CC1=O 840432829 IHZYGALVCJMUIU-QMMMGPOBSA-N 271.317 -0.837 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)c1ncccn1 841446658 WMUPFNYCWPKMJY-JTQLQIEISA-N 273.296 -0.665 50 20 CBGD CC(C)[C@H]1CN(CC(=O)NNC(=O)C2CC2)CCN1 843375719 FHAHTZJCLNOZBN-LLVKDONJSA-N 268.361 -0.526 50 20 CBGD CCN1C[C@H](C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1=O 843648589 YFBJAPPLHKSLBF-AEJSXWLSSA-N 283.328 -0.573 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CC1OCCCO1 843657573 POTWMESRPGKNGR-RKDXNWHRSA-N 272.301 -0.288 50 20 CBGD Cc1nn(C)cc1CC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843657974 FKHADEDFYIQNGK-ONGXEEELSA-N 280.328 -0.157 50 20 CBGD CCONC(=O)CNC(=O)NNc1cncc(Cl)n1 845551364 RFYVEKRDUIPIQX-UHFFFAOYSA-N 288.695 -0.176 50 20 CBGD CCC(CC)(CO)C(=O)NNC(=O)Cc1cc[nH]n1 847453557 URQJHUWFDIUWIP-UHFFFAOYSA-N 268.317 -0.102 50 20 CBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)N=c1cc[nH]cc1 848044683 NDAKTTIOSGXYEY-DTWKUNHWSA-N 277.284 -0.832 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1ccnc(Cl)c1 855468216 PNFFILPLRFMZEL-UHFFFAOYSA-N 278.721 -0.273 50 20 CBGD C[C@@H]1COCCN1C(=O)NNC(=O)c1cn[nH]c1 858704032 LCTZHORKLIAOCL-SSDOTTSWSA-N 253.262 -0.515 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)c1cccnn1 861852663 IZALUDPNXOKZMG-SECBINFHSA-N 250.258 -0.193 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 862449796 JWSUZVATDQIFNN-QMMMGPOBSA-N 278.268 -0.870 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)C1CC1)c1cn[nH]c1 862469548 OINVQVKMUNCFHK-JTQLQIEISA-N 291.311 -0.428 50 20 CBGD CC1(CCNC(=O)c2cc(B(O)O)ccc2F)OCCO1 863878701 JFIIVRUMOQPHON-UHFFFAOYSA-N 297.091 -0.612 50 20 CBGD CN(CC(=O)OC(C)(C)C)C(=O)c1cccc(B(O)O)c1 863881305 PQPFBHWOEANDSJ-UHFFFAOYSA-N 293.128 -0.220 50 20 CBGD COCCOCC(=O)NNC(=O)COCC1CC1 869910330 HHXVWEZHDNGUHW-UHFFFAOYSA-N 260.290 -0.777 50 20 CBGD CN(C)C(=O)NNC(=O)/C=C1\SCC(=O)N1C 874248848 LFBFKLOHZLUIOI-YWEYNIOJSA-N 258.303 -0.665 50 20 CBGD O=C1O[C@H]2C[C@H]1N(S(=O)(=O)CCCCl)C2 882228187 GYGCLLYQAHEUAN-NKWVEPMBSA-N 253.707 -0.055 50 20 CBGD COCC1(S(=O)(=O)NNC(=O)c2cccn2C)CC1 882666619 OSFWBRDHCWBOAO-UHFFFAOYSA-N 287.341 -0.232 50 20 CBGD C#CCCCC(=O)NNC(=O)C1=NN(C)C(=O)CC1 887140745 QOBUIMLCGCDQRG-UHFFFAOYSA-N 264.285 -0.455 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CC[C@@]1(C)CCC(=O)N1 910155590 NKVMZSOMSTXYQG-BXKDBHETSA-N 257.334 -0.221 50 20 CBGD CC[C@@H](SC)C(=O)NNC(=O)CN1CCCC1=O 913731754 VEPIWWURGFTFNA-MRVPVSSYSA-N 273.358 -0.102 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1C[C@@]12CCOC2 913732510 ZBGIIRGBDQLUFW-TVQRCGJNSA-N 281.312 -0.817 50 20 CBGD CCOC(=O)/C(C#N)=C\NCCCN(C)S(C)(=O)=O 915186047 FAJDFGFMIZGKKA-KTKRTIGZSA-N 289.357 -0.172 50 20 CBGD CCNC(=O)NNC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 920858126 UOXBQNOVGNGIBR-SECBINFHSA-N 296.331 -0.747 50 20 CBGD CN1N=C(C(=O)NNC(=O)c2ccncc2)CCC1=O 1115819484 LJOBFOVHKSOGBJ-UHFFFAOYSA-N 275.268 -0.549 50 20 CBGD O=C([C@H]1CCc2cncn2C1)N1CC[C@@H](B(O)O)C1 1119540718 PTWZXGWOJVEAGI-VHSXEESVSA-N 263.106 -0.479 50 20 CBGD Cc1cc(C#N)cnc1C(=O)NNC(=O)CS(C)(=O)=O 1261835100 JCTLWHRCNCLZFD-UHFFFAOYSA-N 296.308 -0.933 50 20 CBGD CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)c2cnn(C)c2)C1 1319012271 ILOOUJYZSRPGHB-CYBMUJFWSA-N 293.327 -0.560 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cncnc1C 1322029818 PJPBMJFYVIVFLQ-UHFFFAOYSA-N 293.327 -0.149 50 20 CBGD CCN1CCC(NC(=O)NNC(=O)c2cnn(C)c2)CC1 1323674556 KZHDJSAUGJRSNJ-UHFFFAOYSA-N 294.359 -0.152 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCN(C)C1CC1 1326748883 JAZGDHNTVPQFJZ-MWLCHTKSSA-N 284.360 -0.164 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1cncn1C 1329561146 IPUNTEJZTFLBBF-WPRPVWTQSA-N 266.301 -0.465 50 20 CBGD C[C@]1(C(=O)NNC(=S)Nc2ccccn2)CCNC1=O 1330934400 QZGHZJCYZJNZFT-LBPRGKRZSA-N 293.352 -0.075 50 20 CBGD CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)c1cn[nH]c1 1351343611 PLYMSTKUTXAUFF-BDAKNGLRSA-N 294.315 -0.732 50 20 CBGD CC(=O)N[C@H](C(=O)NNC(=O)C1CCOCC1)C(C)C 1354127849 DYJQHRSKPKZFCA-NSHDSACASA-N 285.344 -0.279 50 20 CBGD COC(=O)CC[C@@H](N)C(=O)NNC(=O)OC(C)(C)C 1578810047 XPAXGGPVRLFGEU-SSDOTTSWSA-N 275.305 -0.177 50 20 CBGD CO[C@@H](CN)C(=O)NNC(=O)NC1CCCCC1 1579111189 RYBRUTMHMQMLMW-VIFPVBQESA-N 258.322 -0.377 50 20 CBGD CSCC[C@H](N)CC(=O)NNC(=O)[C@@H]1COCCO1 1579380832 XVARHJJQFJXLTB-IUCAKERBSA-N 291.373 -0.980 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNc1ccc(Cl)nn1 1593911219 IDSLBROOKLIWDJ-LURJTMIESA-N 260.637 -0.327 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@H]1CC[C@H]1C(=O)O 1594783060 SXYURMABHYYZDN-JGVFFNPUSA-N 271.273 -0.830 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccsc2C(=O)O)N1 1602638530 RGRLSTKDGZRSBT-LURJTMIESA-N 297.292 -0.514 50 20 CBGD CC(C)(C)C(=O)NNS(=O)(=O)c1n[nH]cc1C(=O)O 1603300870 AWASIODQPWLXSM-UHFFFAOYSA-N 290.301 -0.537 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)[C@@]1(C(=O)O)CCCO1 1605750189 FWOFJGUPWMUPHR-MRVPVSSYSA-N 299.205 -0.487 50 20 CBGD COCCOCC(=O)NN=Cc1ccc(C(=O)O)cn1 1606900034 AXPBUXDMVXXPIW-UHFFFAOYSA-N 281.268 -0.107 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc(C(=O)O)o1 1609680995 CTKIWEVYTGQPLE-UHFFFAOYSA-N 256.214 -0.490 50 20 CBGD CO[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)[C@H](C(=O)O)C1 1610236622 GJUBZTLWTGQMKJ-ZJUUUORDSA-N 299.327 -0.892 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@H]1CCS(=O)(=O)C1 7962074 NPGMUCAOXXIRDN-ZETCQYMHSA-N 293.414 -0.285 50 20 CBGD O=C(Cn1c(=O)cnc2ccccc21)NNC(=O)C1CC1 26967630 ZUAAWAMIGBNYHD-UHFFFAOYSA-N 286.291 -0.046 50 20 CBGD CCNC(=O)NNC(=O)CCNC(=O)C(C)(C)C 49165261 FJCBCXAYOBNDJY-UHFFFAOYSA-N 258.322 -0.111 50 20 CBGD O=C(CN1CSCC1=O)NNC(=O)NCC1CC1 49183845 PAWZPCACIZBJNO-UHFFFAOYSA-N 272.330 -0.740 50 20 CBGD NNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 171733633 JFSCANIAUSXIOL-UHFFFAOYSA-N 255.299 -0.269 50 20 CBGD Cc1nc(C(=O)NNC(=O)CN(C)C)ccc1C#N 172160107 JXSSTJCSAXMPHX-UHFFFAOYSA-N 261.285 -0.416 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2COCCO2)o1 174609923 CAJAFTYWEGBEOD-VIFPVBQESA-N 254.242 -0.236 50 20 CBGD O=S(=O)(CCCCl)N1C[C@@H](O)[C@@H](CO)C1 316434437 UENPOAJDLBKKSH-HTQZYQBOSA-N 257.739 -0.770 50 20 CBGD CC(=O)NCCCN(C)C(=O)c1cc(B(O)O)ccc1F 584948002 HEPFQYGFDILAHL-UHFFFAOYSA-N 296.107 -0.896 50 20 CBGD CO[C@@H]1C[C@H](NC(=O)c2ccc(B(O)O)cc2)C1(C)C 584958641 VMYBNNDQZOQPMP-NWDGAFQWSA-N 277.129 -0.090 50 20 CBGD C[C@]1(O)CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584980703 IAVINCGOEXATIN-LBPRGKRZSA-N 267.065 -0.898 50 20 CBGD CC(C)[C@@H](CO)CNC(=O)c1cccc(B(O)O)c1 584989787 JGNQOUTUVCSLQU-LLVKDONJSA-N 265.118 -0.639 50 20 CBGD CCN(C(=O)c1ccc(B(O)O)c(F)c1)[C@@H]1CCOC1 584991329 BINZRFADHFVWQN-SNVBAGLBSA-N 281.092 -0.244 50 20 CBGD CCN(CC)CCCNCc1ccc(B(O)O)o1 585032387 GZQCVGGUCSYJBZ-UHFFFAOYSA-N 254.139 -0.219 50 20 CBGD Cc1nccnc1CCNCc1ccc(B(O)O)cc1F 585043936 XHIKUNYEXCJVET-UHFFFAOYSA-N 289.119 -0.064 50 20 CBGD CO[C@H](C)Cc1nc(-c2cccc(B(O)O)c2)no1 585052334 ZETCCPLQQDHKQQ-MRVPVSSYSA-N 262.074 -0.006 50 20 CBGD CC(=O)NNC(=O)c1ccc(F)c(NS(C)(=O)=O)c1 725879271 ZMUSBEABSDRDJM-UHFFFAOYSA-N 289.288 -0.022 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)Cc2cccnc2)CCC1 729969494 GQGMUQPBHRTGSY-UHFFFAOYSA-N 290.323 -0.312 50 20 CBGD CN(CC(=O)NNC(=O)COc1ccccc1O)C(=O)O 737393261 KPGKCEOVNCCQHN-UHFFFAOYSA-N 297.267 -0.472 50 20 CBGD CN1CCN(CC(=O)NNC(=O)C(C)(C)C)C(C)(C)C1=O 756035388 OUDZPZLBLDXGTL-UHFFFAOYSA-N 298.387 -0.268 50 20 CBGD COc1cc(NC(=O)NNC(=O)c2cnn(C)c2)ncn1 757758268 FTCGBPRTZSYRKY-UHFFFAOYSA-N 291.271 -0.315 50 20 CBGD CN(C)c1cnc(C(=O)NNC(=O)C(C)(C)O)cn1 768241965 UQMJIHREQNYMDX-UHFFFAOYSA-N 267.289 -0.926 50 20 CBGD CC(C)(O)C(=O)NNC(=O)Cc1ccc2c(c1)NC(=O)C2 768260843 GSHOLMIPWJMBLF-UHFFFAOYSA-N 291.307 -0.358 50 20 CBGD C[C@@H](NC(=O)NNc1cccnn1)[C@@H]1CN(C)CCO1 770117927 GZLNJSKHQZZCSW-ZJUUUORDSA-N 280.332 -0.178 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)COC(C)C 772052313 KZCQIMYVOBTWOF-QMMMGPOBSA-N 260.290 -0.100 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1cnn(C)c1 772069918 GTYZTASUTQRLHL-MRVPVSSYSA-N 282.300 -0.548 50 20 CBGD CCOC(=O)/C(C#N)=C/N[C@H](COC)C(=O)OC 777870035 QXTKFYGHCDKNMV-BNICOGTQSA-N 256.258 -0.265 50 20 CBGD C[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)[C@@H](C(N)=O)C1 778295995 STYCQAUROTYILH-PSASIEDQSA-N 282.344 -0.870 50 20 CBGD CN1C[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)CC1=O 802032893 WNFQVFSEDPVHPD-MRVPVSSYSA-N 277.284 -0.866 50 20 CBGD COCC1(C(=O)NNC(=O)CN(C)C)CCOCC1 810334582 YPAACBBZPSIGIF-UHFFFAOYSA-N 273.333 -0.861 50 20 CBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=O)C1CCC1 813449551 SZBGDRDSZHILJU-VIFPVBQESA-N 271.317 -0.933 50 20 CBGD NC(=O)C(=O)NN=Cc1ccc(Cl)cc1-n1cncn1 814696029 XPJYDQAHGXPFAB-UHFFFAOYSA-N 292.686 -0.144 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cnn(C)c1 825753441 LVFNLWWZEBBTKC-SCZZXKLOSA-N 281.316 -0.325 50 20 CBGD CC(C)C1(C(=O)NNC(=O)CN2CCCC2=O)COC1 828343041 AWPYORJMBIHRRG-UHFFFAOYSA-N 283.328 -0.571 50 20 CBGD CC[C@H](CS(=O)(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)OC 842589748 LABKCIPNOJZUEF-OPRDCNLKSA-N 294.373 -0.213 50 20 CBGD COCCN(C)S(=O)(=O)NNC(=O)CC(C)(C)C 844656021 QHGAQBIQEPYGAG-UHFFFAOYSA-N 281.378 -0.134 50 20 CBGD CN(NC(=O)C1(n2cnnn2)CCCCC1)C(N)=O 845905998 HTJCOJDVXZKZPN-UHFFFAOYSA-N 267.293 -0.626 50 20 CBGD CN(C[C@@H](O)CN1CCOCC1)S(=O)(=O)CCl 849381527 YDAJHHCUGWLECQ-SECBINFHSA-N 286.781 -0.863 50 20 CBGD O=C(NN=C1CCCn2nccc21)[C@H]1CCS(=O)(=O)C1 853285267 SBYGBKVRVCELLC-VIFPVBQESA-N 296.352 -0.068 50 20 CBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)OCC(F)(F)F 856018811 HLPHHEZLZDFXFR-RFZPGFLSSA-N 283.206 -0.182 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)C(F)(F)C(F)F)N1 862456824 UFFWOISYEHPOHD-VKHMYHEASA-N 271.170 -0.687 50 20 CBGD CC(C(=O)NNC(=O)[C@H]1CCC(=O)N1)=C1CCC1 862462182 VFBQRAVETBKTFB-SECBINFHSA-N 251.286 -0.087 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CCCSC1 869904066 OVFYKWRUJIGJJH-VIFPVBQESA-N 276.358 -0.060 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@@](C)(O)C1CC1 869907743 CYFATPAMSCVNQR-GFCCVEGCSA-N 274.317 -0.652 50 20 CBGD COCCOCC(=O)NN=Cc1cnn(CCOC)c1 872401753 IAGCKUJPNLKOFE-UHFFFAOYSA-N 284.316 -0.357 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H](CC)NC(C)=O 887153096 ICPHKPKKUHPVFO-SNVBAGLBSA-N 253.302 -0.148 50 20 CBGD O=C1CN(CC(=O)NNc2cc(Cl)ccn2)CCN1 901350246 RHDJKIHAAJIQSC-UHFFFAOYSA-N 283.719 -0.390 50 20 CBGD C/C(Cl)=C\C(=O)NNC(=O)CN1CCCC1=O 913733361 GGPCFIYMBHPALG-FNORWQNLSA-N 259.693 -0.101 50 20 CBGD O=C(Cn1ccccc1=O)NNC(=O)c1cn[nH]c1 916147464 AOZZXSHNIIKVDQ-UHFFFAOYSA-N 261.241 -0.967 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCn2cccn2)cn1 1251923587 RVZCHMSTFBGBDK-UHFFFAOYSA-N 277.288 -0.739 50 20 CBGD CC(C)C(=O)NNC(=O)c1ccoc1CC(N)=O 1257399976 XIAHVGDOVKKVQL-UHFFFAOYSA-N 253.258 -0.276 50 20 CBGD CO[C@@H](C=NNC(=O)Cc1cc(O)nc(O)n1)C1CC1 1261652548 LYADRLFLXICIOY-VIFPVBQESA-N 280.284 -0.043 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1cccnc1C1CC1 1261835251 OOSPYYIHNNMFBR-UHFFFAOYSA-N 297.336 -0.235 50 20 CBGD Cc1nn(C)c(C)c1C=NNC(=O)[C@H]1CCS(=O)(=O)C1 1317708400 XCURNOZLSKPQOH-JTQLQIEISA-N 298.368 -0.078 50 20 CBGD CC(C)C(=O)NNC(=O)NCCCS(C)(=O)=O 1318059450 XOFOJUSVLDATMR-UHFFFAOYSA-N 265.335 -0.593 50 20 CBGD Cn1cc(C(=O)NNC(=O)NC[C@@]2(C)CCOC2)cn1 1318569773 DJFTZGGTTRBXHC-GFCCVEGCSA-N 281.316 -0.209 50 20 CBGD CC(C)(F)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1319800557 IKEZBMAGVGACSQ-ZCFIWIBFSA-N 266.294 -0.683 50 20 CBGD Cc1nn(-c2ccccn2)c(C)c1C=NNC(=O)C(N)=O 1321292941 YNUVITVICPSUPD-UHFFFAOYSA-N 286.295 -0.180 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H](F)C(F)(F)F)N1 1329201719 OLGBHCMQJONONT-UCORVYFPSA-N 271.170 -0.687 50 20 CBGD C[S@@](=O)CCNC(=O)NNC(=O)c1cccc(F)n1 1329892313 NRBJDECPYRLKMT-LJQANCHMSA-N 288.304 -0.457 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cnc2ccccn12 1330505889 ZTSVCSWRPQLJDP-UHFFFAOYSA-N 289.295 -0.380 50 20 CBGD CC[C@H](O)[C@@H](C)C(=O)NNC(=O)C1CCOCC1 1332330887 UEHPMGYSHUFHRD-SCZZXKLOSA-N 258.318 -0.033 50 20 CBGD O=C1CCCN1CCC(=O)N1CC[C@@H](B(O)O)C1 1348489978 JCTOLJDTCMCOMS-SECBINFHSA-N 254.095 -0.926 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCc2nnn(C)c2C1 1348954955 LDNSCFXKWYHHQA-RKDXNWHRSA-N 267.333 -0.736 50 20 CBGD OB(O)c1ccccc1CNCc1nc(C(F)F)no1 1355333159 NISDDKXRHIKNIS-UHFFFAOYSA-N 283.043 -0.023 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@H]1C[C@@H](F)CN1 1573459144 BIRCEMCTQNEIOB-RNFRBKRXSA-N 262.354 -0.020 50 20 CBGD NNC(=O)CSc1ccc(S(N)(=O)=O)cc1 1580358779 WSAFPCSJEYTZKP-UHFFFAOYSA-N 261.328 -0.584 50 20 CBGD CC(C)C(=O)NNC(=O)C1(C(=O)O)CCOCC1 1588799584 SBHSJXICKSMFCO-UHFFFAOYSA-N 258.274 -0.329 50 20 CBGD C[C@@H](CC(=O)O)NC(=O)NNC(=O)c1cn[nH]c1 1589001511 KQSDYJGBJQCEKF-YFKPBYRVSA-N 255.234 -0.783 50 20 CBGD O=C(O)C1=NO[C@@H](C(=O)NNC(=O)c2cccc(F)n2)C1 1594890351 QLEYZYHCDTVGSI-SSDOTTSWSA-N 296.214 -0.789 50 20 CBGD CN(C)[C@@H](CNC(=O)NNC(=O)C(=O)O)c1ccco1 1598169475 AUEIMIIPTSPLGB-ZETCQYMHSA-N 284.272 -0.703 50 20 CBGD CS(=O)(=O)NCC(=NNC(=O)C(=O)O)c1ccccc1 1599757675 DNJPGRBLZVSETC-UHFFFAOYSA-N 299.308 -0.859 50 20 CBGD CNC(=O)NNC(=O)c1csc(NC(C)=O)n1 48950626 AGILLOXTGZRBMT-UHFFFAOYSA-N 257.275 -0.325 50 20 CBGD CCCCNC(=O)NNC(=O)CCn1cncn1 49143716 YUCZEYQBKZZIOW-UHFFFAOYSA-N 254.294 -0.201 50 20 CBGD COCCn1cc(NC(=O)NNC(=O)OC)ccc1=O 49359384 GFYOVMLTXVKAGY-UHFFFAOYSA-N 284.272 -0.113 50 20 CBGD C=CCNC(=S)NNC(=O)CN1CCSC1=O 52539500 VTFRVBFHMRQDPB-UHFFFAOYSA-N 274.371 -0.164 50 20 CBGD CCn1nc(C(=O)NNC(=O)c2cccn2C)ccc1=O 110608062 JHDJFDQQCCVCHA-UHFFFAOYSA-N 289.295 -0.324 50 20 CBGD CN1CCO[C@@H](C(=O)NNc2ncc(F)cn2)C1 123055590 LUZVFDVOBZAEMG-MRVPVSSYSA-N 255.253 -0.611 50 20 CBGD CC(C)CCn1cc(C(=O)NNC(=O)CO)nn1 182770415 ZYJNTVCBEOHKEO-UHFFFAOYSA-N 255.278 -0.923 50 20 CBGD CC(C)CC(=O)NNC(=O)c1cccn2c(=O)[nH]nc12 272695503 XATFYGDBBKAFRB-UHFFFAOYSA-N 277.284 -0.170 50 20 CBGD CN(C)CCN1C[C@H](C(=O)NNc2cccnn2)CC1=O 273170546 LSPURZRWVHXLJR-SNVBAGLBSA-N 292.343 -0.670 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cc2c(cc1C)OCO2 281283428 XPPZZHRAMGDPNO-UHFFFAOYSA-N 287.297 -0.154 50 20 CBGD COCCOc1cncc(C(=O)NNC(=O)C(C)(C)O)c1 283944762 ZHQKMQISSUXLLE-UHFFFAOYSA-N 297.311 -0.361 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@H](F)C(F)(F)F 292938941 JRHQSCJTAZMOTG-YFKPBYRVSA-N 273.186 -0.040 50 20 CBGD CN([C@H]1CCNC1=O)S(=O)(=O)CBr 307716339 HPVMNLGXLAVUAM-YFKPBYRVSA-N 271.136 -0.511 50 20 CBGD CNC(=O)NNC(=O)/C=C/c1cnc(OC)nc1 492688250 PCDDQZVXMXWKKC-ONEGZZNKSA-N 251.246 -0.541 50 20 CBGD Cn1nncc1C=NNC(=O)CNC(=O)OC(C)(C)C 494624497 KDUHLHQOLDRERA-UHFFFAOYSA-N 282.304 -0.210 50 20 CBGD CC(=O)N1CCCN(C(=O)c2cccc(B(O)O)c2)CC1 584926699 YLHFRHBOLATBBQ-UHFFFAOYSA-N 290.128 -0.939 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@H](CO)C1 584930747 CMLQRZRGGGVZCA-SNVBAGLBSA-N 263.102 -0.789 50 20 CBGD CC(=O)NC1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584936651 GVYKRQKSRWTBAG-UHFFFAOYSA-N 290.128 -0.893 50 20 CBGD Cc1nc([C@H](C)NC(=O)c2ccc(B(O)O)cc2)no1 584963903 FAJVEQVMLUOHHN-ZETCQYMHSA-N 275.073 -0.451 50 20 CBGD CCCN1CC[C@H](NC(=O)c2ccc(B(O)O)cc2)C1 585006686 YPMLGVBJRQNNNJ-ZDUSSCGKSA-N 276.145 -0.420 50 20 CBGD OC[C@@H](CNCc1ccc(B(O)O)cc1F)[C@@H]1CCOC1 585039569 UCVYASLMLGRDLL-VXGBXAGGSA-N 297.135 -0.760 50 20 CBGD COc1cccc2c1OCC(C(=O)NCB(O)O)=C2 585062237 SIYXUQFZGIBYFD-UHFFFAOYSA-N 263.058 -0.401 50 20 CBGD CN1C(=O)C(C)(C)c2cc(C(=O)NCB(O)O)ccc21 585062764 MTXMTJDEXKVZLV-UHFFFAOYSA-N 276.101 -0.318 50 20 CBGD O=C(NCC(=O)N1CC[C@H](B(O)O)C1)Nc1ccccc1 585069396 NYKVKWUSBNXKKI-JTQLQIEISA-N 291.116 -0.117 50 20 CBGD CCn1nc(C(=O)NNC(=O)c2cccnc2)ccc1=O 732048946 CPOPHRFDZIUBIL-UHFFFAOYSA-N 287.279 -0.267 50 20 CBGD O=C(NNS(=O)(=O)N1CCCC1)c1cnccn1 742027252 NYTOTAKRGJFWIJ-UHFFFAOYSA-N 271.302 -0.948 50 20 CBGD O=C(NNC(=O)C1[C@H]2CCC[C@H]12)C(=O)NC1CC1 748839289 YCYYNFWAIOUVGS-YUMQZZPRSA-N 251.286 -0.542 50 20 CBGD CCOCCNC(=S)NNC(=O)CCN(C)C 750976303 CKMPEJVFWBBLGM-UHFFFAOYSA-N 262.379 -0.530 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc2c(c1)NC(=O)CO2 755515173 QAFFUIKKSJFMSY-UHFFFAOYSA-N 280.240 -0.838 50 20 CBGD CCOC(=O)Cc1cccc(NC(=O)NNC(=O)CO)c1 756671287 BGGWTZDZTPKNFD-UHFFFAOYSA-N 295.295 -0.063 50 20 CBGD CCOCC(=O)NNC(=O)NCCc1ccnn1C 763163035 ZCOCKJTWZFGGSI-UHFFFAOYSA-N 269.305 -0.671 50 20 CBGD CCS(=O)(=O)NCC(=O)NNc1cc(C)nc(C)n1 764313413 XPNAQKHUXMOEJK-UHFFFAOYSA-N 287.345 -0.524 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2c[nH]c(C(N)=O)c2)n[nH]1 768279128 ZFCNDPBXCHDSOK-UHFFFAOYSA-N 276.256 -0.780 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CN(C)C(=O)c2ccccc21 784892801 KCRSDSSYPSDZOF-JTQLQIEISA-N 276.296 -0.184 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1CCCN1C1CC1 787205013 BMSYKMOXEHYYJD-LLVKDONJSA-N 284.360 -0.020 50 20 CBGD COc1ccnc(NNC(=O)CC2OCCO2)n1 788638153 VOCLNLPLIQUNCC-UHFFFAOYSA-N 254.246 -0.309 50 20 CBGD CC(C)N(C)CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 792848291 FISSPGDZSZKGQX-NSHDSACASA-N 291.417 -0.181 50 20 CBGD CCOC(=O)c1nn(C)cc1/C=C(/C#N)S(N)(=O)=O 792907516 VUHFAILKJRGKRM-YWEYNIOJSA-N 284.297 -0.250 50 20 CBGD CC(C)NC(=O)C(=O)NN=C1CC(=O)N2CCCC[C@H]12 799474501 GKGVDTOYDXCZQJ-SNVBAGLBSA-N 280.328 -0.232 50 20 CBGD Cn1nncc1NNC(=O)[C@@H]1CCCC12OCCO2 816772144 OQIHGFTYEXWCEY-QMMMGPOBSA-N 267.289 -0.199 50 20 CBGD C[C@H](O)CN(C)NC(=O)/C=C1/SCC(=O)N1C 823718873 SCDBICNTDQOAGN-KMFAHORVSA-N 259.331 -0.623 50 20 CBGD CCO[C@@H]1C[C@H]1C(=O)NNC(=O)c1cccnn1 828830528 RBRJTFQRHOHQGU-VXNVDRBHSA-N 250.258 -0.337 50 20 CBGD CO[C@@H](CC(=O)NNC(=O)C(=O)NC(C)C)C(F)(F)F 845104094 XWRNGSULANMTHS-LURJTMIESA-N 299.249 -0.374 50 20 CBGD COC(=O)C[C@@H](C)CC(=O)NNC(=O)c1ncccn1 848225945 KOSYBLXLPGJQHL-QMMMGPOBSA-N 280.284 -0.173 50 20 CBGD Cn1nccc1[C@@H]1OCCC[C@H]1C=NNC(=O)CO 853330099 VEPFYERNCPBPST-JOYOIKCWSA-N 266.301 -0.018 50 20 CBGD COC(=O)Cn1cc(C(C)=NNC(=O)c2cc[nH]n2)nn1 853392590 RCXCLAHTWQBBOQ-UHFFFAOYSA-N 291.271 -0.672 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H](C)NC(=O)c1ccco1 854927373 GCXOELCIGNQUIX-ZETCQYMHSA-N 284.341 -0.135 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2c[nH]nc2C1)c1cc[nH]n1 855358054 ZPKVQWFWYROLHF-SSDOTTSWSA-N 274.284 -0.301 50 20 CBGD C#C[C@@H](CCC)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858391041 VKCJXMQMBBXEKB-IUCAKERBSA-N 266.301 -0.603 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCCCc2ccco2)N1 858622648 HULNVWBMWQFMQE-SNVBAGLBSA-N 294.311 -0.179 50 20 CBGD CCN(C[C@@H]1CCCO1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858699383 PIHNKJGWPZHKPS-UWVGGRQHSA-N 298.343 -0.493 50 20 CBGD CC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)N(C)C 858907532 OVKNHQVCIFMDJW-SECBINFHSA-N 258.322 -0.160 50 20 CBGD CC(C)(C)OC(=O)N[C@H](CO)C(=O)NNc1cnccn1 860937159 VSSMSXDSLHKUHZ-MRVPVSSYSA-N 297.315 -0.195 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2Cc3ccccc32)N1 862455969 TVDJZPFTWMOOGW-WDEREUQCSA-N 273.292 -0.248 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(O)c1 862457122 BDAVNWLKESMJHY-SECBINFHSA-N 277.280 -0.260 50 20 CBGD Cc1csc(C(=O)NNC(=O)CN2CCOCC2=O)c1 862479246 IOZJMZXCDDMYSF-UHFFFAOYSA-N 297.336 -0.324 50 20 CBGD CCCCO[C@@H](C)C(=O)NNC(=O)CS(C)(=O)=O 863460793 MTJNHTOVWQPOBW-QMMMGPOBSA-N 280.346 -0.616 50 20 CBGD CC[S@](=O)CCNC(=O)c1cc(B(O)O)ccc1F 863872230 DFGSGWJBECZERI-IBGZPJMESA-N 287.121 -0.996 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@H](C)n1cccn1 869906341 ZTTMVEIPDUPWFR-JTQLQIEISA-N 284.316 -0.355 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc(CO)cc1 913729870 BQFPHRAEUNKNHD-UHFFFAOYSA-N 291.307 -0.438 50 20 CBGD CC(=O)NCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1 916830363 QYJWRXCNYHRQIB-UHFFFAOYSA-N 292.295 -0.783 50 20 CBGD O=C(Cn1cccn1)NNC(=O)C(=O)Nc1ccccn1 1116257453 BBSLVSDAGVGFTN-UHFFFAOYSA-N 288.267 -0.936 50 20 CBGD COC(=O)C(=O)NN=C(CO)c1ccc(F)cc1F 1116351486 BXSPAOMGKKMFLC-UHFFFAOYSA-N 272.207 -0.050 50 20 CBGD CNS(=O)(=O)c1cccc(C(=O)NNc2nc[nH]n2)c1 1261245815 QHHKLBHIGCLJCU-UHFFFAOYSA-N 296.312 -0.530 50 20 CBGD N#Cc1cc(C(=O)NNC(=O)Cc2cc[nH]n2)c[nH]1 1320107376 WHMURJFBFKMLFQ-UHFFFAOYSA-N 258.241 -0.387 50 20 CBGD CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(F)cn1 1320848081 JVYFOZKYXPDWCX-UHFFFAOYSA-N 268.248 -0.037 50 20 CBGD Cc1n[nH]cc1S(=O)(=O)NNC(=O)c1ccc[nH]1 1327542432 GYAOBHMTMIUJGB-UHFFFAOYSA-N 269.286 -0.330 50 20 CBGD CC(C)NC(=S)NNC(=O)c1cnc(O)n1C 1329302458 BSIUAHGFQIXZCT-UHFFFAOYSA-N 257.319 -0.357 50 20 CBGD Cc1cncc(C(=O)NNC(=O)C(=O)NC(C)C)c1 1329668971 DTLAFOYETBGUNT-UHFFFAOYSA-N 264.285 -0.324 50 20 CBGD COc1cccc(C[C@H](O)C(=O)NN(C)[C@@H](C)CO)c1 1330878691 FXAOMASTGKSTFC-GWCFXTLKSA-N 282.340 -0.058 50 20 CBGD COCCOCC(=O)NN=Cc1cnc2n1CCOC2 1334098971 ALPPKJKZKRXUHG-UHFFFAOYSA-N 282.300 -0.474 50 20 CBGD Cn1cncc1CNC(=O)NNC(=O)c1ccc[nH]1 1336659843 HCWVTLUEPZXLNG-UHFFFAOYSA-N 262.273 -0.108 50 20 CBGD CN(CC(Cl)Cl)C(=O)Cn1nnc(N)n1 1338997204 GALMQEQXDIXEGD-UHFFFAOYSA-N 253.093 -0.483 50 20 CBGD Cc1nnc(O)c(C(=O)NNC(=O)c2cnn(C)c2)c1C 1339192082 WCTHXLMAOQCMIE-UHFFFAOYSA-N 290.283 -0.393 50 20 CBGD CC(C)(O)CCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1339379773 WUHJNGDEINYRRG-MRVPVSSYSA-N 292.357 -0.880 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21 1340644037 QAQLFLLULIMMJK-ISUQUUIWSA-N 268.313 -0.016 50 20 CBGD O=C(CCO)NNC(=O)C(=O)Nc1ccc(F)cc1F 1342606203 FOXHCVJHTAMTOG-UHFFFAOYSA-N 287.222 -0.567 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CN2C(=O)CCC2=O)o1 1521181857 FUGWCRNYJLLZDK-UHFFFAOYSA-N 279.252 -0.502 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNc1ncccc1C(=O)O 1594240686 MHLAIJAPXZIEFV-YFKPBYRVSA-N 267.245 -0.720 50 20 CBGD COC[C@H](NS(=O)(=O)CCCCl)C(=O)O 1599176846 RKMKCRBJEWMMHY-LURJTMIESA-N 259.711 -0.366 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCCN2CCCC[C@@H]12 1601553023 RCUGACYXYNJOOS-IUCAKERBSA-N 284.316 -0.582 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCN2CCC[C@H]2C1 1601553073 SQDYFAKXDQHTGZ-SFYZADRCSA-N 270.289 -0.972 50 20 CBGD C[C@H](CC(=O)O)CC(=O)NNC(=O)N1CCOCC1 1604107121 VDYJBQKKXNYUML-QMMMGPOBSA-N 273.289 -0.440 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCCC(F)(F)C1 1608478046 ROYISIAMYNQKBZ-YFKPBYRVSA-N 265.216 -0.021 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(=O)O)n1C 1609878758 LFMQLQPGZFBVIK-JGVFFNPUSA-N 295.295 -0.091 50 20 CBGD Cc1occc1C(=O)NNC(=O)C(=O)N1CCCC1 132275435 ZSIWSKZDXMZOKF-UHFFFAOYSA-N 265.269 -0.029 50 20 CBGD O=C(NCC1CCC1)NNC(=O)C(=O)N1CCCC1 195011438 OHECJVAGJBCGHB-UHFFFAOYSA-N 268.317 -0.261 50 20 CBGD CN(C)C(=O)NNC(=O)CNC(=O)OCC(F)(F)F 264724521 YGLFWQLCIWTLTH-UHFFFAOYSA-N 286.210 -0.423 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCS1)C(=O)N1CCCC1 266534504 KNFAIACOOWJOTM-QMMMGPOBSA-N 271.342 -0.348 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CCC[C@H](C(=O)OC)C1 266887833 VIZXMGCDOOQJOE-YUMQZZPRSA-N 257.290 -0.074 50 20 CBGD CN(NC(=O)Cc1ccc2c(c1)OCO2)C(N)=O 271271477 ITSJSAJHMQLULC-UHFFFAOYSA-N 251.242 -0.001 50 20 CBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@H]1CCCN1 272283195 DEWHALAWILIHEH-BXKDBHETSA-N 291.307 -0.274 50 20 CBGD C=CCNC(=S)NNC(=O)CN(C)C(=O)OC 280855593 ASEPWKWVDFHGLV-UHFFFAOYSA-N 260.319 -0.634 50 20 CBGD COC(=O)N(C)NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 285774340 AJTHVJWBGMTSON-LBPRGKRZSA-N 298.299 -0.564 50 20 CBGD CC(C)CC(=O)NNC(=O)c1ccc(=O)n(C)n1 298816551 XVJDVZUQLALSSZ-UHFFFAOYSA-N 252.274 -0.413 50 20 CBGD C[C@@H](C[S@](C)=O)N(C)Cc1cccc(B(O)O)c1 399914437 CBOMMHFRPYZZDL-YPMLDQLKSA-N 269.175 -0.435 50 20 CBGD COC(=O)N(C)NC(=O)c1ccn(CCN(C)C)n1 496491933 PFRISSQBSKIUQU-UHFFFAOYSA-N 269.305 -0.212 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2NC(=O)O[C@H]2C)n1 496633198 PGASETZQNYIUIF-CAHLUQPWSA-N 267.245 -0.575 50 20 CBGD CCOCCCNC(=O)c1ccc(B(O)O)c(F)c1 584924155 FZZNCCCJWRHISB-UHFFFAOYSA-N 269.081 -0.338 50 20 CBGD CN1CCC(CNC(=O)c2cccc(B(O)O)c2)CC1 584939228 SEUZUADZAGCMMO-UHFFFAOYSA-N 276.145 -0.562 50 20 CBGD CC(C)(C)C[C@H](CO)NC(=O)c1ccc(B(O)O)cc1 584965680 UNXXQRODYHFBPP-GFCCVEGCSA-N 279.145 -0.107 50 20 CBGD C[C@H]1NC(=O)CC[C@@H]1CNC(=O)c1ccc(B(O)O)cc1 585002495 XBMAEBIZGSICGX-MWLCHTKSSA-N 290.128 -0.989 50 20 CBGD CN1CCC[C@H](NCc2ccc(B(O)O)cc2F)C1 585018076 GSOMPLKBCDSMBZ-LBPRGKRZSA-N 266.125 -0.311 50 20 CBGD CN(C)c1nccc(CNCc2ccccc2B(O)O)n1 585033841 GSFQJOKZGOIHPP-UHFFFAOYSA-N 286.144 -0.488 50 20 CBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@H](B(O)O)C1 585074243 LASDXRNQLKOGTG-CMPLNLGQSA-N 290.128 -0.120 50 20 CBGD C[C@]1(CO)C[C@H](O)CN1S(=O)(=O)CBr 698137294 YSNBSABCCZCJAH-NKWVEPMBSA-N 288.163 -0.514 50 20 CBGD Cn1cc(CC(=O)NNC(=O)NCC(F)(F)F)cn1 725907689 RMHUXQRTHCWPIM-UHFFFAOYSA-N 279.222 -0.145 50 20 CBGD CN(C)CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 728162000 SKLOVWWVDBOQFZ-VIFPVBQESA-N 263.363 -0.960 50 20 CBGD CCCN(C)CC(=O)NNc1nnc(C)c(O)n1 730273992 IMQDWQZJCUZYIG-UHFFFAOYSA-N 254.294 -0.329 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCC1CC1 733954035 RMUZAZDIJWDNHF-MRVPVSSYSA-N 259.306 -0.222 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)[C@H]1CCN(C)C1=O 738332225 NRLLQJPJVIJPKA-IUCAKERBSA-N 270.333 -0.905 50 20 CBGD C[C@@]1(NNC(=O)N[C@H]2CCSC2)CCS(=O)(=O)C1 745899291 MFFRPWVZTGVGQQ-WCBMZHEXSA-N 293.414 -0.127 50 20 CBGD COc1cccc(C(=O)NCC(=O)NNC(=O)N(C)C)c1 746520049 QTNIQIFWDFXLHW-UHFFFAOYSA-N 294.311 -0.273 50 20 CBGD CCNC(=O)NNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 748719048 UXTOQXGJYSLYSN-UHFFFAOYSA-N 283.244 -0.893 50 20 CBGD CS[C@@H](C)CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 756871731 VCZQPMDFQJLXIH-JGVFFNPUSA-N 294.398 -0.290 50 20 CBGD Cc1ccc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)nc1 761808718 DXXSBKQSMHTYNY-SECBINFHSA-N 284.341 -0.222 50 20 CBGD CN1CC[C@@H](C(=O)NNc2ncc(F)cn2)C1=O 773518051 VZKSNBFDUXZRMA-ZETCQYMHSA-N 253.237 -0.463 50 20 CBGD CC(C)[C@H](NS(C)(=O)=O)C(=O)NNc1cnccn1 775278276 DLGMUVFIBPPNJD-VIFPVBQESA-N 287.345 -0.507 50 20 CBGD O=C(CO)NNC(=O)c1ccccc1N1CCOCC1 776188195 ABFFSSNNMBOSJQ-UHFFFAOYSA-N 279.296 -0.724 50 20 CBGD COC(=O)CNC(=O)NN=C(C)c1csc(N)n1 779815802 BDJFWBMIXXULPC-UHFFFAOYSA-N 271.302 -0.079 50 20 CBGD COC(=O)c1ccc(NC(=O)NNC(=O)CO)c(OC)c1 782081090 ZLUOQTCDLMETNA-UHFFFAOYSA-N 297.267 -0.373 50 20 CBGD C[C@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)C(C)(C)O 787946333 RFGIZHQRGYRHGU-UWVGGRQHSA-N 288.344 -0.121 50 20 CBGD COCCONC(=O)NNc1nccc(OC)n1 789348258 GWDZRADZTNCMGD-UHFFFAOYSA-N 257.250 -0.311 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)C2CC2)c[nH]1 814203835 OYZBRWJXOHGDLP-UHFFFAOYSA-N 251.242 -0.028 50 20 CBGD C=C[C@@](C)(O)C(=O)NNC(=O)CNC(=O)c1cccs1 825273546 INDOPKQKTHNJQT-GFCCVEGCSA-N 297.336 -0.438 50 20 CBGD C[C@H](OCc1ccc(F)cc1)C(=O)NNC(=O)CO 827894696 RONMMPAFVLQPBD-QMMMGPOBSA-N 270.260 -0.130 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc2n(n1)CCO2 843652629 BLBGTBJTARBCDZ-SFYZADRCSA-N 280.284 -0.539 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCc2cncn2C1 844133010 QGPXGUHAANBBGB-SECBINFHSA-N 288.311 -0.062 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 855096231 UODGFVOTOACUAA-UIISKDMLSA-N 272.330 -0.055 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc(C3CC3)[nH]n2)N1 862450848 CHLKBRYDWIUNSY-ZETCQYMHSA-N 277.284 -0.673 50 20 CBGD O=C(NNC(=O)c1cc2n(n1)CCCO2)c1cn[nH]c1 862469906 FICVFWZHCSSNOH-UHFFFAOYSA-N 276.256 -0.537 50 20 CBGD COCCn1ccc(C(=O)NNC(=O)c2cn[nH]c2)n1 862471128 RUXGBYIQHFRLLF-UHFFFAOYSA-N 278.272 -0.673 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1ccc(O)cc1O 863188685 JLWZEQYXAPIOLI-UHFFFAOYSA-N 286.309 -0.017 50 20 CBGD CCn1ncc(C(=O)NNC(=O)C(C)(C)O)c1C 867672218 FVOKGDOCTYNUOI-UHFFFAOYSA-N 254.290 -0.257 50 20 CBGD CCn1nc(C)c(C(=O)NNC(=O)COCCOC)c1C 869909246 OLWPOTSOCJACJP-UHFFFAOYSA-N 298.343 -0.056 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccn2nnnc2c1 910138951 NQYPWGVYALKLBX-SSDOTTSWSA-N 250.262 -0.918 50 20 CBGD Cc1n[nH]c(C)c1[C@@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1118884760 PSBIQQZLVHUYLA-MUWHJKNJSA-N 293.327 -0.444 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCC[S@](C)=O 1121829892 PAKGVUKJHZIETJ-OWXODZSWSA-N 291.373 -0.490 50 20 CBGD O=C(CO)NNC(=O)Cc1cc2ccccc2nc1O 1254254643 FXIXGLYXJDAIJL-UHFFFAOYSA-N 275.264 -0.377 50 20 CBGD COc1ccncc1NC(=O)C(=O)NNC(=O)C1CCC1 1254905318 NRQDJLKAKYAVFR-UHFFFAOYSA-N 292.295 -0.024 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)Cn1cncn1 1318264616 BOOPVKPFLBKMJO-UHFFFAOYSA-N 260.257 -0.937 50 20 CBGD Cc1ccn(-c2cccc(C(=O)NNC(=O)CO)c2)n1 1320967749 PMWWIYZRHYNBCS-UHFFFAOYSA-N 274.280 -0.066 50 20 CBGD O=C(/C=C\c1ccc[nH]1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1323010488 CXRBNALZDZACRP-ZBJFTSOASA-N 297.336 -0.390 50 20 CBGD COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)C(=O)OC)C2 1324202488 SYAITASECURJCN-QWRGUYRKSA-N 283.328 -0.095 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H](NC)c1cnn(C)c1 1326324026 SZMGQTTVSVDSGF-SECBINFHSA-N 268.321 -0.627 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)Sc1nnc(N)n1C 1327661298 FORSPWFYKRQPJX-RXMQYKEDSA-N 272.334 -0.565 50 20 CBGD NC(=O)N1CCC(=NNC(=O)c2cc[nH]n2)CC1 1328011275 XFGUELGSORNKSI-UHFFFAOYSA-N 250.262 -0.330 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCC(=O)NC1 1329537877 FWYOIGQVNCPSNJ-CIUDSAMLSA-N 269.301 -0.915 50 20 CBGD CS(=O)(=O)c1cccc(NNC(=O)C[C@H]2CC(=O)N2)c1 1330771707 VENXWLUPNIJHNK-SECBINFHSA-N 297.336 -0.188 50 20 CBGD O=C(COCc1cccnc1)NNC(=O)[C@@H]1CCC(=O)N1 1335329686 MIUIZAJGWRDOKE-JTQLQIEISA-N 292.295 -0.976 50 20 CBGD Cn1nncc1C(=O)NNc1cc(Cl)nc(N)n1 1344549082 LLPBFDJGZOFAMS-UHFFFAOYSA-N 268.668 -0.402 50 20 CBGD CC(C)CC(=O)NNC(=O)N[C@H](C)c1nnnn1C 1521197388 KFQBJEKMBFMGQV-SSDOTTSWSA-N 269.309 -0.352 50 20 CBGD O=C(NN=Cc1cnon1)[C@H]1CN2CCC[C@H]2CO1 1549317637 YERRMVAUABSCQJ-VHSXEESVSA-N 265.273 -0.617 50 20 CBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C1(O)CNC1 1573589996 MNGXVFFSEQLXAP-MRVPVSSYSA-N 297.286 -0.925 50 20 CBGD CC[C@H]1NCC[C@H]1C(=O)NNC(=O)CN1CCCC1=O 1577307693 GRWIGJMGQVOAAW-NXEZZACHSA-N 282.344 -0.856 50 20 CBGD NCCCC(=O)NNC(=O)C1=C[S@@](=O)CCC1 1580289674 XMOVKWGRUZYQLC-KRWDZBQOSA-N 259.331 -0.701 50 20 CBGD CC[C@H](C(=O)O)N(C)C(=O)c1ccc(B(O)O)cc1 1589438220 VWPRUYVTGYESIT-SNVBAGLBSA-N 265.074 -0.698 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](C(=O)O)[C@@H]1C 1594712698 ZICOVAQHHNORER-CIUDSAMLSA-N 271.317 -0.273 50 20 CBGD O=C(NNC(=O)[C@@H]1CC[C@H]1C(=O)O)c1ccc[nH]1 1594782660 FCDIFYVHHITPIC-RNFRBKRXSA-N 251.242 -0.114 50 20 CBGD O=C(O)CCNC(=O)CCNC(=O)NNc1ccncn1 1602021013 ZHMIZKANGUOGBW-UHFFFAOYSA-N 296.287 -0.916 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc(F)cc1-c1nn[nH]n1 1606560038 TXAWHTFBWMVOSP-UHFFFAOYSA-N 295.234 -0.849 50 20 CBGD O=C(NCc1cccc(F)c1)NNC(=O)C(=O)NC1CC1 45608475 OWQOXHPFQYPQLW-UHFFFAOYSA-N 294.286 -0.065 50 20 CBGD COC(=O)CN1CCN(S(=O)(=O)CCl)CC1 82512649 YXCGFTKRWRUCKK-UHFFFAOYSA-N 270.738 -0.697 50 20 CBGD Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNC(=O)CN(C)C 175946465 ZODLBNLDIGGBRR-SECBINFHSA-N 295.387 -0.075 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 264537578 PAVIAWXFYSIASE-SECBINFHSA-N 277.280 -0.265 50 20 CBGD CCOCCC(=O)NNC(=O)C(=O)NC(CC)CC 265785545 AFDSAUVSRBSDKJ-UHFFFAOYSA-N 273.333 -0.135 50 20 CBGD COC(=O)NNC(=O)Nc1c(OC)ncnc1N(C)C 269897831 CTQBSQNRQSNFIZ-UHFFFAOYSA-N 284.276 -0.056 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1CC[C@@H]1C(=O)OC 285078850 LVLSOAGIJGFTOL-IUCAKERBSA-N 287.316 -0.448 50 20 CBGD O=C(NC[C@H]1CN2CCC[C@H]2CO1)NNc1cccnn1 365422404 RZXHJFWZSORKNF-QWRGUYRKSA-N 292.343 -0.034 50 20 CBGD CN(NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)C(N)=O 368087376 UXDWRPCLMPRUMZ-VIFPVBQESA-N 291.311 -0.528 50 20 CBGD COC(=O)NC(C)(C)C(=O)NNC(=O)N=c1cc[nH]cc1 495788574 SSXLIZIMLKZZOG-UHFFFAOYSA-N 295.299 -0.209 50 20 CBGD CCCN(CC(=O)NC)C(=O)c1cc(B(O)O)ccc1F 584934660 WGEWOQKUTSZYTG-UHFFFAOYSA-N 296.107 -0.896 50 20 CBGD CS[C@H](CO)[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 584962830 LBAOFTIJZKFQCN-LDYMZIIASA-N 283.158 -0.791 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@H]1C1CC1 584967499 LBBQVTBDLXZLOY-CYBMUJFWSA-N 275.113 -0.383 50 20 CBGD C[C@H](O)C[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F 584972637 CJIPSXAJFOBSLC-SFYZADRCSA-N 269.081 -0.605 50 20 CBGD O=C(NC[C@H](CO)CC1CCC1)c1cccc(B(O)O)c1 584985742 PTZWZIOQGFRNMD-GFCCVEGCSA-N 291.156 -0.105 50 20 CBGD N#C[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 585006644 YEHLHOYCTALFAD-QMMMGPOBSA-N 262.049 -0.509 50 20 CBGD Cc1noc(CCCNCc2ccccc2B(O)O)n1 585022951 AJYTYVIUMZGQMQ-UHFFFAOYSA-N 275.117 -0.220 50 20 CBGD CC(C)[C@@H](CCO)NCc1ccc(B(O)O)cc1 585025672 ZXXSCROPZVIBMD-CYBMUJFWSA-N 251.135 -0.137 50 20 CBGD Cc1cc(F)ccc1-n1cc(O)c(C(=O)NCB(O)O)n1 585059931 GMFVJMIGLWDXSX-UHFFFAOYSA-N 293.063 -0.233 50 20 CBGD CN(C)c1ccc([C@H]2C[C@H]2C(=O)NCB(O)O)cc1 585060251 CIFCNAQIBMRHGA-VXGBXAGGSA-N 262.118 -0.016 50 20 CBGD C=CCNC(=S)NNC(=O)c1cnc(OC)nc1 734026771 YVEKDSRZFCVDQF-UHFFFAOYSA-N 267.314 -0.220 50 20 CBGD CC(C)NC(=O)NNC(=O)CCSCC(=O)O 736476082 BOJBCQPOLULQHK-UHFFFAOYSA-N 263.319 -0.067 50 20 CBGD O=C(NN=Cc1cc[nH]c1)N[C@@H]1CCS(=O)(=O)C1 745195271 HWVWUXHVKDOFJW-SECBINFHSA-N 270.314 -0.165 50 20 CBGD CC(C)C(=O)NNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 748697827 WTFPVTWDHIIMCQ-UHFFFAOYSA-N 282.256 -0.440 50 20 CBGD O=C(NNC(=O)c1ccc2nn[nH]c2n1)c1ccccn1 753761191 FHLQPRXTEJEBBO-UHFFFAOYSA-N 283.251 -0.177 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCO[C@H]([C@@H]2CCCO2)C1 756896571 LPNDGNZWNXIJSH-SRVKXCTJSA-N 299.371 -0.188 50 20 CBGD CN(C)CC(=O)NNC(=O)Cc1ccc2c(c1)COC2 758044037 BYJXWJYLAMPLJI-UHFFFAOYSA-N 277.324 -0.032 50 20 CBGD COCCCC(C)=NNC(=O)[C@@H](C)NS(C)(=O)=O 759194347 AUVFBIMRUVQABS-SECBINFHSA-N 279.362 -0.157 50 20 CBGD CN(C)C1(C(=O)NNC(=O)C(=O)N2CCCC2)CCC1 763031470 KYDWMOXRUAZWDA-UHFFFAOYSA-N 282.344 -0.760 50 20 CBGD Cc1cc(C(=O)NNC(=S)NCCCN(C)C)n[nH]1 764498819 ZADQZLWQVNPNEW-UHFFFAOYSA-N 284.389 -0.221 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCc2c[nH]nc2C1 768240946 GRYHVOZYCLRVOS-SSDOTTSWSA-N 266.301 -0.567 50 20 CBGD CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NNC(=O)C(C)(C)O 768261552 MVUDAERWQXRPFQ-SECBINFHSA-N 299.371 -0.058 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C(N)=O)c[nH]1 772166332 CHGMKHOCJSWUBB-LURJTMIESA-N 296.283 -0.784 50 20 CBGD Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)NC(C)C 775276607 YYEMWYATDNWJTF-UHFFFAOYSA-N 289.361 -0.062 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)NC(C)C)ccc1O 779488273 DJWFBNRWCBCUBR-UHFFFAOYSA-N 279.296 -0.014 50 20 CBGD CCN1CCCC[C@H]1C(=O)NNC(=O)N1CCN(C)CC1 807382281 FGNSAEQCHOSWMC-LBPRGKRZSA-N 297.403 -0.151 50 20 CBGD C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)N1CCN(C)CC1 807383106 KMVPHXSBWCRQIZ-AXFHLTTASA-N 284.360 -0.212 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)c1cn(C)nn1 808297577 SIUZVRNSSVOZSS-UHFFFAOYSA-N 289.295 -0.173 50 20 CBGD COc1ccnc(NNC(=O)Nc2cnnn2C)n1 809904277 GIOPKSZHLZGOMQ-UHFFFAOYSA-N 264.249 -0.238 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21 823425601 YFHBVALEGHAHDQ-DJLDLDEBSA-N 268.317 -0.359 50 20 CBGD CCN(CCO)NC(=O)/C=C/CN1CCOCC1 823885154 YFLRDAFZGCFAMV-ONEGZZNKSA-N 257.334 -0.780 50 20 CBGD CC(=O)Nc1cccnc1C(=O)NN(C)[C@@H](C)CO 823902183 LSAJSJXLNJSXFK-QMMMGPOBSA-N 266.301 -0.003 50 20 CBGD Cc1nn(C)c(=O)c(C(=O)NN(C)[C@H](C)CO)c1C 823946301 GXFULRAPZHWYTC-SSDOTTSWSA-N 268.317 -0.645 50 20 CBGD Cc1n[nH]cc1CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 825767650 XLJMKBPPEWWMQK-WCBMZHEXSA-N 281.316 -0.026 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NOCC(F)F 826663240 AYIQLJCPPVECFT-NTSWFWBYSA-N 267.232 -0.062 50 20 CBGD CCN(C)S(=O)(=O)NNC(=O)[C@H]1CCCCO1 830034201 NFVOHFNDTGEADQ-MRVPVSSYSA-N 265.335 -0.627 50 20 CBGD Cn1c(NNC(=O)COCCN)nc2ccccc2c1=O 831786563 MEDVWYLGPNLDLU-UHFFFAOYSA-N 291.311 -0.648 50 20 CBGD Cc1nnccc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843659659 IKIYBTCEVZLCNJ-WCBMZHEXSA-N 264.285 -0.029 50 20 CBGD COCCCNC(=S)N(C)NC(=O)Cc1cncn1C 854283922 PUIBCUTVVKMGEZ-UHFFFAOYSA-N 299.400 -0.163 50 20 CBGD O=C(NNC(=O)[C@@]1(O)CCOC1)c1cccc(F)n1 856428052 NJGNGHIDCTWGNM-LLVKDONJSA-N 269.232 -0.867 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCC2CC=CC2)N1 858701946 TXJDAIDCNALFOS-SECBINFHSA-N 266.301 -0.438 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCN1C(C)(C)C 862994679 VYDQWNMEYILDCI-QMMMGPOBSA-N 257.334 -0.223 50 20 CBGD CNS(=O)(=O)CCCNS(=O)(=O)CCCCl 882476580 IXHZPCSKQLEVBQ-UHFFFAOYSA-N 292.810 -0.526 50 20 CBGD CSCCNC(=S)NNC(=O)Cc1cnc[nH]1 901292694 XIBICMFDAGQOAT-UHFFFAOYSA-N 273.387 -0.190 50 20 CBGD COCCN(C)NC(=O)c1ccnn1CCN(C)C 908114501 HEFCMJDMDBQBEI-UHFFFAOYSA-N 269.349 -0.332 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)C1=COCCO1 918366415 ZLRKFTIDRCSDGQ-UHFFFAOYSA-N 254.164 -0.026 50 20 CBGD COCCCNC(=O)NNC(=O)/C=C\c1cnn(C)c1 920862814 NVYVSZQYLFKRCS-PLNGDYQASA-N 281.316 -0.200 50 20 CBGD NC(=O)CCCC(=O)NNc1nncc(N)c1Cl 1116834302 JTKNIIQKYHDCJE-UHFFFAOYSA-N 272.696 -0.189 50 20 CBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=S)NC(C)(C)C 1123482340 LSZSMRFOKIQUAZ-NXEZZACHSA-N 299.444 -0.332 50 20 CBGD CN(C)Cc1cc(C(=O)NNC(=O)N(C)C)no1 1254435357 UDKRCXANUAHXQA-UHFFFAOYSA-N 255.278 -0.348 50 20 CBGD C[S@@](=O)c1ccc(NC(=O)NNC(=O)CCO)cc1 1320228235 NCXPWRTZKGKMBC-LJQANCHMSA-N 285.325 -0.041 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)NC[C@H]1CCOC1 1323485624 LIBCRPUNWGYHQJ-LLVKDONJSA-N 278.312 -0.009 50 20 CBGD Cc1nn(C)c(N)c1C=NNC(=O)CN1CCCC1=O 1324202434 QVQLQGRWFVQQNU-UHFFFAOYSA-N 278.316 -0.617 50 20 CBGD Cc1nnc(NNC(=O)C[C@H]2CCCC(=O)N2)nc1O 1325607741 SHHFFJHSMYGIQP-SSDOTTSWSA-N 280.288 -0.612 50 20 CBGD Cn1cnc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)c1Cl 1330262278 NHEKWNKYRVMNBC-ZCFIWIBFSA-N 293.541 -0.689 50 20 CBGD CCc1cc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)n(C)n1 1331694869 DZYAVNVAZQJDJB-MRVPVSSYSA-N 294.315 -0.586 50 20 CBGD CN1C(=O)CCC[C@@H]1C(=O)NNC(=O)C1CCOCC1 1336904257 JVCYYSAMBCZJNS-SNVBAGLBSA-N 283.328 -0.429 50 20 CBGD CCOc1cnc(C(=O)NNc2nccn(C)c2=O)cn1 1338467975 HAMJCFXVVGUACC-UHFFFAOYSA-N 290.283 -0.274 50 20 CBGD CC(C)c1nocc1C(=O)NNC(=O)C(=O)NC1CC1 1348457796 GXTBIRBLNLSMRZ-UHFFFAOYSA-N 280.284 -0.162 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CCOCC1)c1cn[nH]c1 1574578319 FCCIFOHTXNNTQW-UHFFFAOYSA-N 282.256 -0.948 50 20 CBGD Cn1ncc(N)c1CCC(=O)NNC(=O)C1CCC1 1580006750 QKTNFKJYQQQXQS-UHFFFAOYSA-N 265.317 -0.118 50 20 CBGD NCC[C@@H](NC(=O)NNC(=O)C1CCOCC1)C(F)F 1580282574 BHNYEFHRSLOTAJ-MRVPVSSYSA-N 294.302 -0.274 50 20 CBGD C[C@@](C#N)(CC(=O)O)C(=O)NNC(=O)[C@@H]1CCCCO1 1588541867 NSZUDKCCBAICOC-UFBFGSQYSA-N 283.284 -0.293 50 20 CBGD C[C@H](CN(C)C(=O)c1cc(B(O)O)ccc1F)C(=O)O 1589028490 GWHNPVCPEPJPQB-SSDOTTSWSA-N 283.064 -0.702 50 20 CBGD C[C@@]1(C(=O)NNC(=O)C2(C(=O)O)CCC2)CCCO1 1589181409 LLPCMWHJJISYJY-NSHDSACASA-N 270.285 -0.042 50 20 CBGD COc1ccc(NNC(=O)NCCOCC(=O)O)nc1 1607277427 XISJFTXTIWAESP-UHFFFAOYSA-N 284.272 -0.183 50 20 CBGD CNC(=O)NNC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 48950423 ZHRQAIHHZGUJJS-UHFFFAOYSA-N 279.300 -0.176 50 20 CBGD CCN(CCO)CC(=O)NNC(=O)c1ccc(F)cc1 119941004 VFEQTUCPBMZYGZ-UHFFFAOYSA-N 283.303 -0.099 50 20 CBGD CN1C[C@H](NC(=O)NNc2ccc(Cl)nn2)CC1=O 267694043 RAQIODIJDJYOTN-ZCFIWIBFSA-N 284.707 -0.013 50 20 CBGD Cc1ccc(C(=O)NNC(=O)N[C@H]2CC(=O)N(C)C2)o1 268020247 LCOPQLOOGBFQPK-QMMMGPOBSA-N 280.284 -0.237 50 20 CBGD COc1cc(C(=O)NNC(=O)[C@H](C)O)cc(OC)c1OC 270745328 HBKGNCKULWGVMC-ZETCQYMHSA-N 298.295 -0.146 50 20 CBGD C[C@H]1CCCN(C(=O)C(=O)NNC(=O)C(C)(C)O)C1 277905450 HEIPLTZXXKYBQN-QMMMGPOBSA-N 271.317 -0.837 50 20 CBGD C[C@@H]1C[C@@H](O)CN1CC(=O)NNC(=O)c1cccs1 384973976 TWLYUYSHNOGUBN-RKDXNWHRSA-N 283.353 -0.036 50 20 CBGD COC(=O)NCC(=O)NNc1cc(C)nc(C)n1 491405445 MQUSXTDUTHLNJR-UHFFFAOYSA-N 253.262 -0.107 50 20 CBGD CCOC(=O)NNC(=O)[C@@H](C)CS(C)(=O)=O 493160119 WEPMVSZSSHZMBB-LURJTMIESA-N 252.292 -0.556 50 20 CBGD COC(=O)N(C)NC(=O)CCCN1C(=O)CN(C)C1=O 495628893 LYKQGWIVANIJOT-UHFFFAOYSA-N 286.288 -0.610 50 20 CBGD C#CCO[C@@H](C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 496981113 ZLJLBQUZVASUFB-VIFPVBQESA-N 299.327 -0.303 50 20 CBGD CCN1CCC(CNC(=O)c2cccc(B(O)O)c2)CC1 584934222 MQRIDTHZXUPZBV-UHFFFAOYSA-N 290.172 -0.172 50 20 CBGD N#CCCCCNC(=O)c1cc(B(O)O)ccc1F 584941887 GZCJVSFHBNLUCU-UHFFFAOYSA-N 264.065 -0.071 50 20 CBGD C[C@@H](O)C[C@@H](C)NC(=O)c1cccc(B(O)O)c1 584972792 HDKJDQOGWSIXIZ-RKDXNWHRSA-N 251.091 -0.744 50 20 CBGD COC[C@@H](C)[C@H](C)NC(=O)c1cccc(B(O)O)c1 584992648 QOKOYGQRWMBIRE-ZJUUUORDSA-N 265.118 -0.233 50 20 CBGD C[C@@H](CCO)CCNC(=O)c1ccc(B(O)O)c(F)c1 584994790 OBOWYZMFISVTIG-SECBINFHSA-N 283.108 -0.356 50 20 CBGD COCCN1CC[C@@H](CNCc2ccccc2B(O)O)C1 585020640 FCLFJPKFQAQIJB-ZDUSSCGKSA-N 292.188 -0.576 50 20 CBGD OC[C@H](CNCc1cccc(B(O)O)c1)[C@H]1CCOC1 585039286 PVIALUJPASWYMU-STQMWFEESA-N 279.145 -0.899 50 20 CBGD C[C@H](O)CCCNCc1ccc(B(O)O)cc1F 585039483 VSCZEDXRNNOCNG-VIFPVBQESA-N 255.098 -0.244 50 20 CBGD CN1CC[C@H](CNCc2ccc(B(O)O)cc2F)CC1=O 585048275 MPFUFRCKRYVHGR-JTQLQIEISA-N 294.135 -0.537 50 20 CBGD C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@@H](B(O)O)C1 585068616 CSUUTNQNLMKHNY-GMTAPVOTSA-N 254.139 -0.066 50 20 CBGD Cc1nc2ncnn2c(N2CC[C@@H](B(O)O)C2)c1C 585073357 KMJIFWSPMUPFGB-SECBINFHSA-N 261.094 -0.206 50 20 CBGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@H]2CCOC2)C[C@@H](C)O1 732264198 QYZCOZVKAMFNSG-UTUOFQBUSA-N 299.371 -0.330 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(Cn2cccn2)o1 733359263 BOMPFOSNNLCZTA-UHFFFAOYSA-N 291.311 -0.153 50 20 CBGD CCO[C@H]1C[C@H]1C(=O)NNC(=O)N1CCOCC1 745985930 DCTAFNYCIRJKMP-BDAKNGLRSA-N 257.290 -0.516 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CCCN1c1ncccn1 747371183 NQDXMIGEBZAMRC-VIFPVBQESA-N 278.316 -0.252 50 20 CBGD O=C(CCN1CCOCC1)NNC(=O)NC1CCCC1 751385432 YSOQMVJJPYWYTP-UHFFFAOYSA-N 284.360 -0.018 50 20 CBGD C[C@@H]1C(=O)Nc2cc(C(=O)NNC(=O)CO)ccc2N1C 753438387 DLBKZTCIVVKJBW-SSDOTTSWSA-N 292.295 -0.783 50 20 CBGD CC(C)[C@@H]1C[C@H](CC(=O)NNC(=O)CO)CCO1 753438867 SLDHNWWXWUEQQE-ZJUUUORDSA-N 258.318 -0.033 50 20 CBGD C[C@@H](O)C[C@H]1COCCN1CC(=O)NNC(=O)C1CC1 767032409 XJOOEXQWUGLZIL-KOLCDFICSA-N 285.344 -0.985 50 20 CBGD CCNC(=O)NNC(=O)c1n[nH]c(CC)c1[N+](=O)[O-] 767721977 ILKVWXTXAFOQCE-UHFFFAOYSA-N 270.249 -0.156 50 20 CBGD CN(NC(=O)CNC(=O)NCc1ccco1)C(N)=O 770438452 YEALBDBASPPKTJ-UHFFFAOYSA-N 269.261 -0.880 50 20 CBGD CN(C)c1cnc(C(=O)NNC(=O)c2cccn2C)cn1 770549477 OHHNPTXAENIXMF-UHFFFAOYSA-N 288.311 -0.044 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCC[C@]12CCOC2=O 778249369 JLRJJYMAHIHPGE-CQSZACIVSA-N 297.355 -0.039 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCCO2)CC1 788165266 ANABTEPNBJTJSF-VIFPVBQESA-N 256.306 -0.846 50 20 CBGD Cn1cc(C(=O)CCC(=O)NNC(=O)NC2CC2)cn1 793202246 VHHZMBZCDUUEOM-UHFFFAOYSA-N 279.300 -0.124 50 20 CBGD Cc1nc2ccccn2c1C(=O)NNC(=O)c1cnnn1C 798846606 QLSRKUUOPVONOB-UHFFFAOYSA-N 299.294 -0.154 50 20 CBGD O=C(CCn1cncn1)NNC(=O)N=c1cc[nH]cc1 802025280 ZFIWJKOMOPHZAY-UHFFFAOYSA-N 275.272 -0.662 50 20 CBGD COCCC(C)=NNC(=O)[C@H](C)NS(C)(=O)=O 814834937 BVKUPRGEXQAWEA-QMMMGPOBSA-N 265.335 -0.547 50 20 CBGD O=C(Cc1ccc(-n2cnnn2)cc1)NNc1nc[nH]n1 816631605 XOWZZGJECWOMQA-UHFFFAOYSA-N 285.271 -0.534 50 20 CBGD COc1ccnc(NNC(=O)C[C@H]2CCC(=O)N2)n1 816860043 VILBYHBLZFIKGC-SSDOTTSWSA-N 265.273 -0.403 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC1CCN(C)CC1 825573619 DHYAASOISVUMDJ-ONGXEEELSA-N 284.360 -0.164 50 20 CBGD O=C(O)CN(CC(=O)NNC(=O)C1CC1)C1CCOCC1 833247482 LAXMUICLQCQXBG-UHFFFAOYSA-N 299.327 -0.891 50 20 CBGD CO[C@@H]1COC[C@@H]1NC(=O)NNc1nc2ccccn2n1 838777810 HDFGMPABXMYNDE-DTWKUNHWSA-N 292.299 -0.231 50 20 CBGD CO[C@@H]1COC[C@@H]1NC(=O)NNC(=O)C(C)(C)C 838778141 HQGYLLDSMDNOKD-JGVFFNPUSA-N 259.306 -0.223 50 20 CBGD COCCCNC(=O)NN=Cc1cnc(N)nc1N 842525418 RORGZZYBYJVDJP-UHFFFAOYSA-N 267.293 -0.689 50 20 CBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843646032 HZTLUCBWOCGBAK-XSPKLOCKSA-N 270.285 -0.632 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@@H]2CCS(=O)(=O)C2)n1 844265161 UVSVQFCZDQFHFM-SECBINFHSA-N 284.341 -0.029 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@@H]1CCc2nnnn2CC1 845298944 FEHXAFCOLYHIOE-SECBINFHSA-N 293.331 -0.634 50 20 CBGD O=C(NNC(=O)[C@@]12CCC(=O)N1CCS2)C1CC1 849185803 SURLJVLAFMJJQO-NSHDSACASA-N 269.326 -0.391 50 20 CBGD CNC(=S)N(C)NC(=O)/C=C/c1cnn(C)c1 854928159 OEYHUVMBQIEGPQ-SNAWJCMRSA-N 253.331 -0.099 50 20 CBGD O=C(NNc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)N1 856094836 XFQKJWBJBVBAGZ-SSDOTTSWSA-N 290.732 -0.130 50 20 CBGD CC[C@@H](CNC(=O)NNC(=O)c1cn[nH]c1)OC 858470552 IRZZAUXPWSGDFI-QMMMGPOBSA-N 255.278 -0.221 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NC2CC3(CCC3)C2)N1 858590168 LZYQBJZYYNROTH-VIFPVBQESA-N 280.328 -0.072 50 20 CBGD CCOC(=O)c1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)on1 863150288 QVSNUMVXHSGZDG-QMMMGPOBSA-N 294.267 -0.420 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc1C#N 863465830 HSRHJUURYPBBHO-UHFFFAOYSA-N 295.320 -0.328 50 20 CBGD O=C(NO[C@H]1CCCCO1)c1ccc(B(O)O)cc1 863871759 AMPGPVMHSKGNMF-NSHDSACASA-N 265.074 -0.446 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)/C=C/CN1CCOCC1 865568638 VZHXYCGLJJXYIA-NSCUHMNNSA-N 293.327 -0.632 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@]2(CCOC2)C1 866503233 PEELWLSBVLQILF-AWEZNQCLSA-N 275.113 -0.381 50 20 CBGD COC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1ccc(B(O)O)cc1 867944068 ONEXYBOJSARFTR-QWRGUYRKSA-N 295.075 -0.908 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H](C)CSC 869910821 YTWCYZYOFNXKRA-MRVPVSSYSA-N 264.347 -0.204 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)N1 875395145 IDDUTJJUKFGSEH-XDCRGNIGSA-N 292.339 -0.360 50 20 CBGD Cn1nc(C2CC2)cc1CNC(=O)c1ccc(B(O)O)cc1 885822813 WWDXJZSCJZRTEU-UHFFFAOYSA-N 299.139 -0.093 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21 911503422 UBZKEIOXIXSOTH-DKBIXQPYSA-N 266.297 -0.216 50 20 CBGD C[C@@H]1CN(CCC(=O)NNC(=O)C(F)F)C[C@@H](C)O1 912920730 AHXNLRLRTBMXHP-HTQZYQBOSA-N 279.287 -0.102 50 20 CBGD CC(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1F 1116896279 KQAIUWXADACDQZ-UHFFFAOYSA-N 275.261 -0.746 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ncoc2C2CC2)N1 1119222322 SVLKOZZGQLETKO-SSDOTTSWSA-N 278.268 -0.408 50 20 CBGD Cn1cc(C(=O)NN=Cc2cnc3n2CCOC3)cn1 1119619731 ANCALXOMZMPNFY-UHFFFAOYSA-N 274.284 -0.089 50 20 CBGD O=C(CCn1ccccc1=O)NNC(=O)Cc1cc[nH]n1 1254695033 AKVGFTQLBAGMQI-UHFFFAOYSA-N 289.295 -0.648 50 20 CBGD CO[C@H](C)CC(=O)NNC(=O)C(=O)Nc1ccccn1 1319099740 XECJUTPDQJPSRQ-MRVPVSSYSA-N 280.284 -0.408 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)[C@H]3CCOC3)nc21 1319289915 IGNFWZNDILIZGF-LURJTMIESA-N 278.272 -0.452 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cc(C)ns1 1325327670 IYPOIVWMYFMIJG-UHFFFAOYSA-N 272.286 -0.816 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)[C@H]1CCNC1=O 1328680644 ZEOGUFBNCASKSD-BYPYZUCNSA-N 268.195 -0.985 50 20 CBGD CNC(=O)NNC(=O)c1cnc2[nH]c(O)nc2c1 1330111511 YKEQISYPKBJSCH-UHFFFAOYSA-N 250.218 -0.763 50 20 CBGD O=C(CCn1cnnn1)NNCC(F)(F)C(F)(F)F 1332224940 DJZRXVSNEMXGSG-UHFFFAOYSA-N 288.180 -0.118 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCCC(F)F 1332349113 WJIUASUOFLDALY-UHFFFAOYSA-N 253.205 -0.465 50 20 CBGD C=CCn1cc(C(=O)NNC(=O)NC2CC2)nn1 1332483589 XEDGVMYMKWXREX-UHFFFAOYSA-N 250.262 -0.430 50 20 CBGD O=C(NNC(=O)[C@H]1CCCS1(=O)=O)c1ccc[nH]1 1332863132 TWYYBXNGQBQACB-MRVPVSSYSA-N 271.298 -0.647 50 20 CBGD CC#CC[C@H](N)C(=O)NNc1ccc(-n2ccnc2)nn1 1574972254 LJJAEZGGGLAISL-JTQLQIEISA-N 285.311 -0.154 50 20 CBGD CCC(C)(C)[C@@H](O)C(=O)NNC(=O)[C@H]1CCCNC1 1576941777 JMYFOROCIFUVOS-UWVGGRQHSA-N 271.361 -0.070 50 20 CBGD Cc1ccc(F)c(N)c1C(=O)NNC(=O)[C@@H]1CCN1 1579706998 YPJWCAKJQCLHKU-QMMMGPOBSA-N 266.276 -0.161 50 20 CBGD O=C1NCC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1 1593409192 UOGIBGSPBUEKDJ-SECBINFHSA-N 287.283 -0.554 50 20 CBGD COc1nc2sccn2c1C=NNC(=O)C(=O)O 1599732155 OOTOURONJJJXLX-UHFFFAOYSA-N 268.254 -0.061 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CO[C@H](CCC(=O)O)C1 1603739701 UIWAEEMSUCJXSE-NXEZZACHSA-N 274.317 -0.398 50 20 CBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)[C@H]1CCCO1 1605023681 YCDFRVZEXWYCCX-AMXGMDGSSA-N 256.258 -0.576 50 20 CBGD COCCCNC(=O)NNC(=O)CN1CCSC1=O 49167464 CWCOHUHCXAIUMA-UHFFFAOYSA-N 290.345 -0.478 50 20 CBGD O=C(CN1CSCC1=O)NNC(=O)NC1CCCC1 49458451 XTWIQQYTCZMMBC-UHFFFAOYSA-N 286.357 -0.208 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc2c(c1)CCO2 113424344 AOIZDTVJXQDEMA-UHFFFAOYSA-N 263.297 -0.056 50 20 CBGD CCCNC(=O)NNC1=c2ccc(F)cc2=NC1=O 144622989 YOHLBNORNAXMOL-UHFFFAOYSA-N 264.260 -0.693 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCN(CC2CC2)C1 160646111 YTAPKXATZWCTFX-LLVKDONJSA-N 284.360 -0.162 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1ccccn1 181235550 HELCRSVOQLOCOX-UHFFFAOYSA-N 252.274 -0.371 50 20 CBGD O=C(Cc1cccnc1)NNS(=O)(=O)N1CCCCC1 266021761 KGNGHZIBHFEHDU-UHFFFAOYSA-N 298.368 -0.024 50 20 CBGD CO[C@@H](CNC(=O)NNC(=O)C(=O)NC1CC1)C(C)C 266763695 UBMFCYZOQVXSGO-VIFPVBQESA-N 286.332 -0.734 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)C(C)(C)O)CC1 277918975 IRBXPZUPPWNAMR-UHFFFAOYSA-N 258.274 -0.752 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCc2ncc[nH]2)[nH]n1 288214346 PAIUXROVGREKCQ-UHFFFAOYSA-N 262.273 -0.165 50 20 CBGD O=C(COCC(F)(F)F)NNC(=O)C(=O)N1CCCC1 299620898 ZNNNLZIQDFMYAY-UHFFFAOYSA-N 297.233 -0.665 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)Cc1cc[nH]n1 495062925 APOOEYYUGTXZLK-UHFFFAOYSA-N 297.315 -0.376 50 20 CBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NNc1nc[nH]n1)C2 496461061 UGTCMHJUQMPMFJ-CIUDSAMLSA-N 292.299 -0.109 50 20 CBGD C[C@H]1CN(C(=O)COc2ccc(B(O)O)cc2)C[C@@H](C)O1 584909479 MBZBHDBJXZPIIK-PHIMTYICSA-N 293.128 -0.619 50 20 CBGD C[C@H]1CSCCN1C(=O)c1cccc(B(O)O)c1 584951069 UIAIHYOBFHNODG-VIFPVBQESA-N 265.143 -0.056 50 20 CBGD CC(C)(C)C[C@@H](CO)NC(=O)c1cccc(B(O)O)c1 584966140 ZGOJIKHDXPNYMD-LBPRGKRZSA-N 279.145 -0.107 50 20 CBGD C[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1CO 584978887 FKWROVRMTAJSDP-SKDRFNHKSA-N 263.102 -0.791 50 20 CBGD CC[C@H]1CN(CC)CCN1C(=O)c1ccc(B(O)O)cc1 584996367 GISCEAIZEYWLRV-AWEZNQCLSA-N 290.172 -0.077 50 20 CBGD CO[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C[C@H]1C 584998299 PBQTVGZVNGDBPW-ZWNOBZJWSA-N 277.129 -0.137 50 20 CBGD C[C@H](CO)[C@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 585006810 OYOLFDQQCRDXHO-BXUZGUMPSA-N 291.156 -0.011 50 20 CBGD Cn1cc([C@@](C)(O)CNCc2ccc(B(O)O)cc2)cn1 585024682 ANPNXKOUIHAEDP-AWEZNQCLSA-N 289.144 -0.903 50 20 CBGD OCC[C@H](NCc1ccc(B(O)O)cc1F)C1CC1 585024767 CDSANMSRDIVXJL-ZDUSSCGKSA-N 267.109 -0.244 50 20 CBGD OC[C@@H](CC(F)(F)F)NCc1ccccc1B(O)O 585032314 SWBGLJBWSNJXTA-SECBINFHSA-N 277.051 -0.231 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1F)C(=O)N(C)C 585038206 WHPNRTXQABYEQY-QMMMGPOBSA-N 268.097 -0.928 50 20 CBGD CNS(=O)(=O)c1ccc(N2CC[C@@H](B(O)O)C2)nc1 585072855 FZOXOZGFJZROTB-MRVPVSSYSA-N 285.134 -0.957 50 20 CBGD CC[C@H](C)NC(=S)NNC(=O)[C@@H](C)NS(C)(=O)=O 728450470 ZDRRCFAFISKXRS-NKWVEPMBSA-N 296.418 -0.782 50 20 CBGD CCCCCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729276964 PLHBGWJPDADZIT-QMMMGPOBSA-N 279.362 -0.348 50 20 CBGD CCOC(=O)Cc1nnc(NC(=O)NNC(C)=O)s1 765226726 UBBBDXAJDZEKGK-UHFFFAOYSA-N 287.301 -0.184 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@@H](CCO)C(C)C 771786244 RCRZGLSVOMYDQV-ZJUUUORDSA-N 259.350 -0.071 50 20 CBGD CO[C@](C)(C(=O)NNC(=O)CO)c1ccccc1 776189077 ZPXGPVPMISSVOI-LBPRGKRZSA-N 252.270 -0.312 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CO[C@@H](C)C1 784398809 VELPEOJCXQPULU-POYBYMJQSA-N 252.274 -0.096 50 20 CBGD O=C(CN1CCOCC12CC2)NNC(=O)C1CC1 801980785 JXZLNEAWQHHFSB-UHFFFAOYSA-N 253.302 -0.591 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)Cc1cncn1C 807370242 CEKBHMUFUDJKTE-UHFFFAOYSA-N 298.343 -0.101 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1CCc2cccnc21 819876160 RCXRVJZCJIGNGK-JTQLQIEISA-N 262.313 -0.180 50 20 CBGD CC(C)(O)C(=O)NNC(=O)C(C)(C)CN1CCOCC1 822317089 NKKFXQUZKJFZQV-UHFFFAOYSA-N 287.360 -0.737 50 20 CBGD CC[C@H]1CN(C)CCN1CC(=O)NNC(=O)C1CC1 823194227 CUZSXKHTHVCTGT-NSHDSACASA-N 268.361 -0.430 50 20 CBGD C#CCN(C)CCCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 826867235 JKVFOPFXJYSTHJ-NWDGAFQWSA-N 296.371 -0.303 50 20 CBGD Cn1cc(S(=O)(=O)NNC(=O)O)nc1Cl 833053863 CFUAVPWUOIBUGH-UHFFFAOYSA-N 254.655 -0.466 50 20 CBGD Cc1cc(C)nc(NNC(=O)COCC(=O)O)n1 843326507 UPIUQYVWJSIASR-UHFFFAOYSA-N 254.246 -0.362 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](O)c1ccccn1 843970335 DUVVKODDADGTGC-IQJOONFLSA-N 279.296 -0.313 50 20 CBGD COC(=O)[C@@H]1CN(S(=O)(=O)CCl)C[C@H](C)O1 846000458 PXOMEMYQZOPHHY-BQBZGAKWSA-N 271.722 -0.225 50 20 CBGD N#Cc1csc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862455007 CHOPZKJTORZNGW-ZETCQYMHSA-N 278.293 -0.341 50 20 CBGD COC(=O)[C@@H]1CCC[C@@H]1NCc1ccccc1B(O)O 863891924 GVNVGHMBGRVMEZ-YPMHNXCESA-N 277.129 -0.202 50 20 CBGD CC[C@@H](C)OCC(=O)NNC(=O)COCCOC 869908477 OETRZTJLKKMJDV-SECBINFHSA-N 262.306 -0.388 50 20 CBGD COC(C)(C)c1cn(CC(=O)NNC(=O)C2CC2)nn1 881292241 IFPDWPSKSPGCAM-UHFFFAOYSA-N 281.316 -0.283 50 20 CBGD CN1C(=O)CCC[C@@H]1C(=O)NNC(=O)c1ccncc1 905016229 AXXNCHOVCDWQGM-SNVBAGLBSA-N 276.296 -0.147 50 20 CBGD O=C(C[C@@H]1CCCC[C@H]1O)NNC(=O)CN1CCCC1=O 913732828 KGKNVESNIPVDRS-WDEREUQCSA-N 297.355 -0.303 50 20 CBGD COC(=O)[C@@H]1CC[C@H](NC(=O)c2ccc(B(O)O)cc2)C1 926522781 ZUWMGRBTSZGHQP-PWSUYJOCSA-N 291.112 -0.562 50 20 CBGD O=C(NNC(=O)[C@H]1CCNC1=O)c1n[nH]c2c1CCCC2 1118611841 RUDDKXZMXJCNCU-QMMMGPOBSA-N 291.311 -0.814 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)c2ccc(OC)cc2)CC1 1251677846 CBVPWZWQTDKBDN-UHFFFAOYSA-N 291.307 -0.018 50 20 CBGD Cc1nc(C)c(NC(=O)C(=O)NNC(=O)CN(C)C)s1 1254905055 KEDHCHXCHZXWFK-UHFFFAOYSA-N 299.356 -0.593 50 20 CBGD COC(=O)C(=O)NN[C@H](Cc1ccc(F)cc1)C(=O)OC 1324346259 ZGCSEQVWBRCRMG-SNVBAGLBSA-N 298.270 -0.296 50 20 CBGD CC(C)[C@H](O)C(=O)NNC(=O)C(=O)Nc1ccccn1 1326069926 AJVYQRJVIWAXAN-VIFPVBQESA-N 280.284 -0.816 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(O)CCOCC1 1326661998 RIJRETONBDMWTB-IUCAKERBSA-N 272.301 -0.900 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CCC(F)(F)F 1329206772 ATVGLJBUGVPJQW-UHFFFAOYSA-N 276.236 -0.479 50 20 CBGD O=C(Cn1cc(C2CC2)nn1)NNC(=O)c1cc[nH]n1 1329368670 HNUIJAYERLURRO-UHFFFAOYSA-N 275.272 -0.660 50 20 CBGD CC(C)NC(=O)CCCC(=O)NNc1cnnn1C 1330425395 UDQWTOJKMBEXKW-UHFFFAOYSA-N 268.321 -0.047 50 20 CBGD COC(=O)N(C)NC(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 1330824108 KZXZLNUMDHGPHE-QMMMGPOBSA-N 284.316 -0.090 50 20 CBGD O=C(NNC(=O)N1CC[C@]2(CCOC2)C1)c1cn[nH]c1 1331312725 MUKGFSJRMXJCCH-LBPRGKRZSA-N 279.300 -0.124 50 20 CBGD C[C@@H]1CC(=NNC(=O)[C@H]2CCC(=O)N2)c2ncnn21 1331723901 ZWOLVZLLEVVGGJ-RNFRBKRXSA-N 262.273 -0.658 50 20 CBGD CS(=O)(=O)CC(=O)NN=C1CCn2ccnc21 1331822952 WHZSRHRUTVSXLV-UHFFFAOYSA-N 256.287 -0.848 50 20 CBGD CC(C)(C(=O)N1CC[C@@H](B(O)O)C1)S(=O)(=O)C1CC1 1331894280 CBWNXUUNFFNOTD-MRVPVSSYSA-N 289.162 -0.583 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@]12CCC[C@@H]1C2 1335296411 AFUSPEIKEFLQGT-GMSGAONNSA-N 260.315 -0.631 50 20 CBGD CO[C@@]1(C(=O)NN(C)C2CC2)CCS(=O)(=O)C1 1338698026 FUVDYOQHIIMJFG-JTQLQIEISA-N 262.331 -0.685 50 20 CBGD COC(=O)C(=O)NNC(=O)NC1CC2(CCC2)C1 1346183753 NPQHZWIBFUWYBT-UHFFFAOYSA-N 255.274 -0.178 50 20 CBGD O=C(Cn1ccc(O)nc1=O)NNc1ncncc1F 1347729667 WIGOVIOHUPHBBS-UHFFFAOYSA-N 280.219 -0.979 50 20 CBGD COc1cccc(C(=O)NNC(=O)C(=O)NC(C)C)c1O 1347769679 PWCWZXKPYOXZKY-UHFFFAOYSA-N 295.295 -0.314 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CCC1CCOCC1 1348437608 ZQLFSHCJWBLGRF-UHFFFAOYSA-N 292.357 -0.615 50 20 CBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNc1ncncc1F 1348675813 ZSDKUGZSUDQFDL-WPRPVWTQSA-N 280.307 -0.553 50 20 CBGD C#CCCCC(=O)NNC(=O)C[C@@]1(O)CCNC1 1574545542 RLJJLSFQGFJDNA-LBPRGKRZSA-N 253.302 -0.948 50 20 CBGD CCOCc1nc(C)cc(NNC(=O)[C@@H](N)[C@@H](C)O)n1 1578127307 SLWKNEIUTKRVPJ-KCJUWKMLSA-N 283.332 -0.527 50 20 CBGD NCCC(=O)NNC(=O)C[C@H]1CCC2(CCOCC2)CO1 1580281717 NGHNHSSFNPWPPV-LLVKDONJSA-N 299.371 -0.152 50 20 CBGD CC(=NNC(=O)c1cn[nH]c1)c1cn(CC(=O)O)nn1 1588485732 HLXBVZSVOVKJGT-UHFFFAOYSA-N 277.244 -0.760 50 20 CBGD C[C@@H](CC(N)=O)C(=O)NNc1ncccc1C(=O)O 1589008670 XPJATSILGVFXDW-LURJTMIESA-N 266.257 -0.266 50 20 CBGD COCC(=O)NNC(=O)Nc1ccnc(-c2nn[nH]n2)c1 1591367529 KTNOPYJATPIFKN-UHFFFAOYSA-N 292.259 -0.939 50 20 CBGD C[C@@H]1C[C@@H](CCNC(=O)NNC(=O)C(=O)O)CCO1 1594232527 MDVOHOFEYXMLAB-SFYZADRCSA-N 273.289 -0.393 50 20 CBGD O=C(NNC(=O)[C@H]1CCCO1)N[C@@H]1CC=C(C(=O)O)C1 1601556268 UYFSXWWCDOVXLF-RKDXNWHRSA-N 283.284 -0.331 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cncc(C(=O)O)c1 1604203527 RNNFJQJISGKHMA-ZETCQYMHSA-N 253.258 -0.263 50 20 CBGD C[C@H](Oc1ccccc1C=NNC(=O)CO)C(=O)O 1604443330 MPXOIJAMIKIOTD-QMMMGPOBSA-N 266.253 -0.019 50 20 CBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=S)N[C@@H](C)C1CC1 1604464139 KSILRCRZTWOQMT-UPONEAKYSA-N 289.357 -0.230 50 20 CBGD O=C(NNC(=O)[C@H](C(=O)O)C1CC1)[C@H]1CCCO1 1605898607 XKZDHUQJDHWLKB-HTQZYQBOSA-N 256.258 -0.576 50 20 CBGD O=C(N[C@H]1C[C@H](C(=O)O)C1)c1cc(B(O)O)ccc1F 1608492860 FJZWOCHHYWJFNW-FKQCQYRASA-N 281.048 -0.902 50 20 CBGD O=C(O)[C@@H]1[C@@H](O)CCCN1S(=O)(=O)CCl 1608596499 SYVVSTNPITYUED-WDSKDSINSA-N 257.695 -0.578 50 20 CBGD O=C(O)c1coc(C=NNC(=O)[C@H]2COCCO2)c1 1608987159 GEHGGTVESVZFMG-SECBINFHSA-N 268.225 -0.157 50 20 CBGD Cc1cc(Cl)nc(CNC(=O)NNC(=O)C(=O)O)c1 1610464129 ZBXIHVVUBGHINI-UHFFFAOYSA-N 286.675 -0.042 50 20 CBGD O=C(Cc1ccccc1)NCC(=O)NNC(=O)C1CC1 26970598 LESCENQNVDRMTE-UHFFFAOYSA-N 275.308 -0.097 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(OC)c(OC)c1 48962069 VDPFXXZNYNFTLF-UHFFFAOYSA-N 289.313 -0.174 50 20 CBGD Cc1ccc(C)c(NC(=O)C(=O)NNC(=O)CN(C)C)c1 126443916 ZWZCVJWWSZCIGR-UHFFFAOYSA-N 292.339 -0.049 50 20 CBGD O=S(=O)(CBr)NCCN1CCOCC1 126620458 YUQBLCSFAROHBW-UHFFFAOYSA-N 287.179 -0.410 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)[C@H](C)NC(N)=O)cc1 143392184 SDIXRZHDTOFVSP-VIFPVBQESA-N 294.311 -0.422 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1nnc2ccccn12 159789440 BSIGHCFYGLUESW-UHFFFAOYSA-N 277.288 -0.556 50 20 CBGD CN(NC(=O)CNC(=O)c1ccc(F)cc1)C(N)=O 180352402 GYFWAXHTYVNDDH-UHFFFAOYSA-N 268.248 -0.403 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1CC(c2cccnc2)=NO1 276564341 CZBBQBZUACUNPM-SNVBAGLBSA-N 277.284 -0.123 50 20 CBGD CCCC[C@@H](NC(N)=O)C(=O)NNC(=O)N(C)C 299368971 KMSSLTRJTQKQFC-SSDOTTSWSA-N 259.310 -0.484 50 20 CBGD CC(C)N1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584928430 RVQJMNMWCGVYBZ-UHFFFAOYSA-N 276.145 -0.467 50 20 CBGD CN(C)C[C@@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 584942420 GUHNQWFPRGMTGR-AWEZNQCLSA-N 290.172 -0.077 50 20 CBGD CN1CC[C@H](N(C)C(=O)c2cc(B(O)O)ccc2F)C1 585009426 UZUNQKJCDDQKJI-JTQLQIEISA-N 280.108 -0.718 50 20 CBGD CC[C@H](O)CCNCc1ccc(B(O)O)cc1F 585028841 RQBGOCWMRPKHJF-NSHDSACASA-N 255.098 -0.244 50 20 CBGD OB(O)c1cccc(CNCC[C@@]2(O)CCCOC2)c1 585046821 ZMDKTKQNVNLARZ-AWEZNQCLSA-N 279.145 -0.612 50 20 CBGD CCCOc1ccc(OCC(=O)NCB(O)O)cc1 585055878 GFCKIUDEWJFDPC-UHFFFAOYSA-N 267.090 -0.018 50 20 CBGD CC(C)(NC(=O)Nc1ccccc1)C(=O)NCB(O)O 585059460 ONDNYMCNVFNFSJ-UHFFFAOYSA-N 279.105 -0.285 50 20 CBGD CCOC(=O)/C(C#N)=C\NNC(=O)CN1CCCC1=O 730969076 DTZMQZMWRQUTPO-CLFYSBASSA-N 280.284 -0.800 50 20 CBGD CN(C)N(C(=O)[C@@H]1C[C@@H]1C(=O)O)[C@@H]1CCS(=O)(=O)C1 737370729 SESJYJLONPKEBA-HLTSFMKQSA-N 290.341 -0.801 50 20 CBGD COCCCNC(=O)NNC(=O)Cc1cc(C)on1 746166855 INALIRGEUJFONE-UHFFFAOYSA-N 270.289 -0.108 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCS1(=O)=O)C1CC1 753768880 HUNNKMITNJYTEO-MRVPVSSYSA-N 260.315 -0.489 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCSC1 755268744 LMWAQZWOPATUJU-SSDOTTSWSA-N 254.315 -0.147 50 20 CBGD CCC(C)(C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758048722 URBKMTYMEXIZDL-ZETCQYMHSA-N 279.362 -0.492 50 20 CBGD NC(=O)[C@@H]1CC[C@@H](CNC(=O)NNc2ccccn2)O1 759776447 NBACDRFLRKDFAA-IUCAKERBSA-N 279.300 -0.259 50 20 CBGD CC(C)c1cccc(NC(=O)C(=O)NNC(=O)CO)c1 764420421 GAJABAHAOHLBEB-UHFFFAOYSA-N 279.296 -0.112 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1nc2ccccc2[nH]1 768504172 MHAUFTPZWRYNPZ-ZETCQYMHSA-N 297.340 -0.056 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1nccs1 770347833 DIJAEPISADHGCG-UHFFFAOYSA-N 294.292 -0.073 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(O)CCCC1 772006093 SZSFWHUITYJPDW-MRVPVSSYSA-N 272.301 -0.219 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)c1ccncc1 780848293 BVFAAYYVBQIOBQ-UHFFFAOYSA-N 250.258 -0.631 50 20 CBGD CN(C)CCOCCNC(=O)NNC(=O)c1ccc[nH]1 788014527 SWPOOQBEGPZHAF-UHFFFAOYSA-N 283.332 -0.463 50 20 CBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1ccc[nH]1 816824393 YCJIBZLOVZRUMV-ZETCQYMHSA-N 288.329 -0.897 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCCCN(C)C1=O 821783455 LNFHFRYKGBVHBW-VIFPVBQESA-N 270.333 -0.063 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCCN(C)C 825534191 JAPCLMLYSDBESL-VHSXEESVSA-N 272.349 -0.307 50 20 CBGD CN1C(=O)CC[C@@H]1CC(=O)NNC(=O)C1CCC1 827216296 PKQRKQMTBGMCOZ-SECBINFHSA-N 253.302 -0.055 50 20 CBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@@H](O)C1CC1 829505602 WPEXYBSSJLLZAJ-ZDUSSCGKSA-N 288.307 -0.205 50 20 CBGD CCn1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)n1 843792081 PXINWWNHHBEAOV-UHFFFAOYSA-N 262.273 -0.370 50 20 CBGD CON1CCC(=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1 853390761 LQOZMRFFUFUULQ-OLZOCXBDSA-N 296.371 -0.021 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@@H](COC)OC 854284917 BLXGTRVWIMMYOG-SECBINFHSA-N 293.389 -0.478 50 20 CBGD Cc1ccoc1CC(=O)NNC(=O)C(=O)NC(C)C 854290738 DAHYESGFUVGITR-UHFFFAOYSA-N 267.285 -0.197 50 20 CBGD CN1CCN(C(=O)NNC(=O)CCc2cncnc2)CC1 854383066 UXRJWKFBNVCEMR-UHFFFAOYSA-N 292.343 -0.603 50 20 CBGD C=C(CO)C(=O)NNC(=O)C(C)(OCC)OCC 854388251 DCHOGFDGNWTKCN-UHFFFAOYSA-N 260.290 -0.529 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=S)N[C@@H](C)C1CC1 855101411 BBFHEWBKGBHWQS-ZETCQYMHSA-N 272.374 -0.242 50 20 CBGD CCOC(=O)NCC(=O)NNC(=O)c1cccc(F)n1 856421540 AHNBWYMDBHVPQH-UHFFFAOYSA-N 284.247 -0.272 50 20 CBGD CS(=O)(=O)N1CCCC[C@H]1C(=O)NNc1ccncn1 857520492 ZBICSOZXWZGNCR-VIFPVBQESA-N 299.356 -0.266 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCCc2ccoc2)N1 858613161 JHMWNQKYVYFCNK-SECBINFHSA-N 280.284 -0.569 50 20 CBGD C[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)N1CCCCCC1 862454295 FAHYCSMSUUXMHZ-WDEREUQCSA-N 296.371 -0.323 50 20 CBGD C/C(=C\C(=O)NNC(=O)CS(C)(=O)=O)c1ccco1 863466915 GTIXSPIDIKIPFN-SOFGYWHQSA-N 286.309 -0.125 50 20 CBGD O=C(NOC1CCOCC1)c1ccc(B(O)O)cc1 863879738 ZEACZZUFJDQMTL-UHFFFAOYSA-N 265.074 -0.793 50 20 CBGD COCCOCC(=O)NNC(=O)CCn1cc(C)cn1 869908920 BQGJROXMJXUHCO-UHFFFAOYSA-N 284.316 -0.608 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CNC(=O)c1cccc(F)c1 910182178 GZQHKLDQLGURNC-SECBINFHSA-N 283.303 -0.101 50 20 CBGD CC1(C)OC[C@H]2C[C@@]21C(=O)NNC(=O)CN1CCCC1=O 913733321 DTAJYBYJTNEVEJ-OTYXRUKQSA-N 295.339 -0.429 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)NC[C@H]2CCN2C)n1 925395549 WORRAKRPOLDCDS-LLVKDONJSA-N 294.359 -0.466 50 20 CBGD CC(C)N1CCC[C@@H]1C(=O)NNC(=O)N1CCOCC1 931114378 QPVFLENUUIRKOY-LLVKDONJSA-N 284.360 -0.068 50 20 CBGD CCNC(=O)N(C)NC(=O)COCc1nncn1C 1117758699 QNOYEJZHAMNPNK-UHFFFAOYSA-N 270.293 -0.976 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CCSC2)N1 1118970042 MAMVKRWAMCJEGU-BQBZGAKWSA-N 257.315 -0.835 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cncnc1C1CC1 1261776241 KFLANHHLNQWXCY-UHFFFAOYSA-N 291.311 -0.360 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1CC(=O)N(C)C1 1317799623 HZWYMEKDTFXDEA-SSDOTTSWSA-N 258.347 -0.632 50 20 CBGD COC(=O)C(=O)NN=Cc1ccc(OCC(=O)O)cc1 1318911390 JXSQRBNLAUCKPY-UHFFFAOYSA-N 280.236 -0.227 50 20 CBGD CCC(C)(C)OCCNC(=O)NNC(=O)C(=O)OC 1325497686 BPQPALBAAMRTLD-UHFFFAOYSA-N 275.305 -0.305 50 20 CBGD Cn1cc(C(=O)NN=C2CCCS(=O)(=O)C2)cn1 1328627504 VKGKBUXXOUDGJL-UHFFFAOYSA-N 270.314 -0.286 50 20 CBGD CC(F)(F)C1(C(=O)NNC(=O)C(=O)NC2CC2)CC1 1328874466 RNOLCUQXZYFOBS-UHFFFAOYSA-N 275.255 -0.152 50 20 CBGD Cn1cc(C(=O)NNS(=O)(=O)c2ccc(C#N)o2)cn1 1329445055 SSEBBOJTCCIQQO-UHFFFAOYSA-N 295.280 -0.492 50 20 CBGD C[S@](=O)CCNC(=O)NNC(=O)c1cccc(F)n1 1329892312 NRBJDECPYRLKMT-IBGZPJMESA-N 288.304 -0.457 50 20 CBGD COc1nccc(C=NNC(=O)[C@@H]2CCC(=O)N2)n1 1330143381 RRCCVQDEMNMLOS-QMMMGPOBSA-N 263.257 -0.786 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC[C@]1(O)C[C@H]2CC[C@H]1C2 1330156013 ZDVVGCLGUGGYEG-RVBZMBCESA-N 299.327 -0.569 50 20 CBGD CCNC(=O)C(C)(C)CNC(=O)NNC(=O)c1cn[nH]c1 1331520306 KHQYYWKAKITAKI-UHFFFAOYSA-N 296.331 -0.484 50 20 CBGD Cc1n[nH]c(C)c1CCC(=O)NNC(=O)[C@H]1CCC(=O)N1 1331690212 IECRXOYDXKDONB-SNVBAGLBSA-N 293.327 -0.615 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@H]2CC[C@H]2C(N)=O)cc1 1334619065 ITGGDRIRFKBUKU-MNOVXSKESA-N 291.307 -0.032 50 20 CBGD NC(=O)c1ccc(NC(=O)NNC(=O)CCO)c(F)c1 1338053624 ZKINDEGBUROXFW-UHFFFAOYSA-N 284.247 -0.540 50 20 CBGD CC(C)(O)C(=O)NN=C1CCC2(CC1)NC(=O)NC2=O 1338724823 VJDYWMMTFDTZCP-UHFFFAOYSA-N 282.300 -0.618 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1339043150 GRYZVAUZRVVFGW-SECBINFHSA-N 272.326 -0.628 50 20 CBGD O=C(O)CC[C@H]1C[C@H](C(=O)NNc2nc[nH]n2)CO1 1574686270 JVYRBERLKBJFFO-BQBZGAKWSA-N 269.261 -0.482 50 20 CBGD CCCNC(=O)NNC(=O)[C@@]1(C)C[C@@H](N)CCO1 1577545433 VRPZHSIZUXFEKG-GZMMTYOYSA-N 258.322 -0.377 50 20 CBGD CO[C@@H](CN)C(=O)NNC(=O)Cc1c[nH]c2ccccc12 1579111000 BBSPDLSMUZBEDC-LBPRGKRZSA-N 290.323 -0.169 50 20 CBGD N[C@H](Cc1ccccn1)C(=O)NNC(=O)c1cnsn1 1580410057 WFMTWRIMPRWMOJ-MRVPVSSYSA-N 292.324 -0.736 50 20 CBGD C[C@H]1C[C@H](CCNC(=O)NNC(=O)C(=O)O)CCO1 1594232526 MDVOHOFEYXMLAB-JGVFFNPUSA-N 273.289 -0.393 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1cc(C)c(C(=O)O)o1 1596471098 SQNJTEVHQBNNAR-UHFFFAOYSA-N 291.285 -0.201 50 20 CBGD C#C[C@H](NC(=O)NNC(=O)C(=O)O)c1ccccc1 1602674572 RYCLQOVVQRGAAZ-VIFPVBQESA-N 261.237 -0.224 50 20 CBGD CCC[C@](C)(NC(=O)c1ccc(B(O)O)cc1)C(=O)O 1605199314 ZVUHGXHRVICXLE-ZDUSSCGKSA-N 279.101 -0.260 50 20 CBGD C[C@]1(NNC(=O)NC[C@H]2CCCO2)CCS(=O)(=O)C1 42867919 NWZOSTGKGVBYOH-KOLCDFICSA-N 291.373 -0.454 50 20 CBGD CCNC(=O)NNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 139210908 YRTTUULPESGYPN-UHFFFAOYSA-N 290.279 -0.124 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2ccc(O)nc2)[nH]n1 153126949 WTJFAIWGWJKJSA-UHFFFAOYSA-N 261.241 -0.106 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)o1 264086979 FMPBYISKTDAHTP-ZETCQYMHSA-N 289.313 -0.713 50 20 CBGD O=C(CNc1ccccc1)NNC(=O)[C@@H]1COCCO1 264325103 QWKOFQFSHBNGIB-NSHDSACASA-N 279.296 -0.339 50 20 CBGD NC(=O)[C@@H]1CC[C@@H](C(=O)NCC(Cl)Cl)O1 294368240 LIHZEZZPWWBPCB-WHFBIAKZSA-N 255.101 -0.061 50 20 CBGD O=C1CCCC[C@@H](C(=O)NNC(=O)[C@@H]2CCCO2)N1 294730557 UESBEFZMASYFPR-IUCAKERBSA-N 269.301 -0.628 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)OC(C)(C)C)C1 492818008 GMWRODWTXIJMJH-QMMMGPOBSA-N 259.306 -0.127 50 20 CBGD COc1nccnc1NNC(=O)[C@H]1NC(=O)O[C@H]1C 496316026 YDYQFEZPDYXMFB-WDSKDSINSA-N 267.245 -0.575 50 20 CBGD C[C@@H](C#N)CNC(=O)c1cc(B(O)O)ccc1F 584941543 KLZQLCHYLOZJQK-ZETCQYMHSA-N 250.038 -0.605 50 20 CBGD CC1(C)CN(C(=O)c2ccc(B(O)O)cc2)CC[S@@]1=O 584957610 JUVCWPWRIYHGMF-FQEVSTJZSA-N 295.169 -0.651 50 20 CBGD C[S@@](=O)C1(CNC(=O)c2cccc(B(O)O)c2)CCC1 584986569 ZWAUBSLIZWQWHB-HXUWFJFHSA-N 295.169 -0.603 50 20 CBGD O=C1CCCCN1CCCNCc1ccccc1B(O)O 585021804 DFSOTOVHARQCGS-UHFFFAOYSA-N 290.172 -0.141 50 20 CBGD Cn1cc2c(n1)CCC[C@@H]2NCc1ccc(B(O)O)o1 585043207 ZOAKNGBPRKVTST-NSHDSACASA-N 275.117 -0.140 50 20 CBGD CN(CC1CC1)S(=O)(=O)N1CC[C@H](B(O)O)C1 585058295 XCICAFNXYVGJMD-VIFPVBQESA-N 262.140 -0.878 50 20 CBGD O=C(O)[C@@]1(C(=O)N2CC[C@H](B(O)O)C2)C[C@H]2CC[C@H]1C2 585063877 JIUQCCZBCYJUGR-YVNDNENWSA-N 281.117 -0.047 50 20 CBGD CCOCC(=O)NNC(=O)Nc1cnn(CCOC)c1 731218048 QOUWYMUBTFAOPQ-UHFFFAOYSA-N 285.304 -0.281 50 20 CBGD CCC(=O)NNS(=O)(=O)c1n[nH]c(C)c1C(=O)OC 732046607 ZKDQYSLIOLAVBR-UHFFFAOYSA-N 290.301 -0.776 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc2nc(O)oc2c1 733360295 HGTDNMPVSJFGRK-UHFFFAOYSA-N 278.268 -0.144 50 20 CBGD CC(C)CN1C[C@H](C(=O)NNC(=O)CN(C)C)CC1=O 733361277 XFTWSHYQCCZFAS-SNVBAGLBSA-N 284.360 -0.800 50 20 CBGD COCC[C@@H](C)NC(=O)NNC(=O)c1cnn(C)c1 735513268 QPHGGOBEPGAYIC-MRVPVSSYSA-N 269.305 -0.211 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)CS(C)(=O)=O 746824614 BVBFGLWUXJYELI-MRVPVSSYSA-N 264.347 -0.139 50 20 CBGD COc1ncnc(N)c1C=NNC(=O)c1cnccn1 747630628 XGQHAEZPSAXKRC-UHFFFAOYSA-N 273.256 -0.379 50 20 CBGD CC[C@H](C)OCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 751563224 QLSVJAOGTMXWOZ-DTWKUNHWSA-N 292.357 -0.616 50 20 CBGD COc1cc(C=NNC(=O)C(N)=O)c2c(c1)C[C@@H](C)O2 755481099 IRKVRWSWBBKONJ-SSDOTTSWSA-N 277.280 -0.046 50 20 CBGD COc1ccc(C#N)cc1NC(=O)NNC(=O)CO 756278382 IAQGZDUOPVGYEW-UHFFFAOYSA-N 264.241 -0.288 50 20 CBGD O=C(NC[C@H]1CCCS1(=O)=O)NNC(=O)C1CCC1 765898200 PIJSLJMBNXVMOM-SECBINFHSA-N 289.357 -0.306 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C(=O)c1cnn(C)c1 772065087 GNHHIIAYLCRNNE-ZETCQYMHSA-N 296.283 -0.908 50 20 CBGD C[C@@H]1COCCC1=NNC(=O)[C@H]1CCS(=O)(=O)C1 794487678 BBKDNDRBJINLJC-BDAKNGLRSA-N 274.342 -0.050 50 20 CBGD O=C(COC(F)F)NNC(=O)N1CCOCC1 795819513 PFTGXLSAAWCGOE-UHFFFAOYSA-N 253.205 -0.701 50 20 CBGD COc1cc(NC(=O)C(=O)NNC(=O)CO)c(C)cc1C 797010522 FRCUQGWTRWUBOB-UHFFFAOYSA-N 295.295 -0.610 50 20 CBGD COCCN(C)NC(=O)c1cc(S(N)(=O)=O)oc1C 808075304 NBSFOCTWUDPKMN-UHFFFAOYSA-N 291.329 -0.542 50 20 CBGD COCC1(C(=O)NNC(=O)C(C)(C)O)CCOCC1 813530473 RWVUXXLKOXDPMW-UHFFFAOYSA-N 274.317 -0.652 50 20 CBGD O=C(NNC(=O)C(F)(F)C1(O)CCC1)c1ccnnc1 817693271 LZXOVPWRPRCMGZ-UHFFFAOYSA-N 286.238 -0.212 50 20 CBGD COCCCNC(=O)NNC(=O)C1(N(C)C)CC1 823810946 XTVWSBBUUJZUEN-UHFFFAOYSA-N 258.322 -0.553 50 20 CBGD Cn1ncc(Cl)c1C(=O)NNC(=O)C(=O)N1CCCC1 824877295 MNZHAJKBGIEPGS-UHFFFAOYSA-N 299.718 -0.543 50 20 CBGD CO[C@@H]1COC[C@H]1NC(=O)NNC(=O)C1CCCC1 826624632 ZYYJYPAHJZDUGT-NXEZZACHSA-N 271.317 -0.079 50 20 CBGD CCNC(=O)N(C)NC(=O)CNC[C@@H]1CCCO1 831945809 WNRLUGYOCYPRPT-VIFPVBQESA-N 258.322 -0.553 50 20 CBGD CCOC(=O)COCCNS(=O)(=O)CCl 832111471 MCWDBIHJIJGCSN-UHFFFAOYSA-N 259.711 -0.318 50 20 CBGD COC(=O)NNC(=O)c1ccc(N2CCOCC2)nc1 842471298 WRLQSCSCGOZHBY-UHFFFAOYSA-N 280.284 -0.081 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@@H]1CCCC(=O)N1 843658753 VKXDRNSIWDIVKS-GUBZILKMSA-N 283.328 -0.382 50 20 CBGD CC(C)CC(=O)NNC(=O)Cn1nc2n(c1=O)CCCC2 845150595 RERXYUQEJMCZIJ-UHFFFAOYSA-N 295.343 -0.425 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCc2nnnn2CC1 845927026 WGTQLDXTWIASOA-MRVPVSSYSA-N 281.320 -0.682 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)c2cccc(F)n2)C1 856424421 LGLKYMGHSZXDHX-QMMMGPOBSA-N 266.276 -0.067 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC[C@@H]3COC[C@@H]32)N1 858703426 XSMJUYGEDKTFIC-BBBLOLIVSA-N 296.327 -0.883 50 20 CBGD CCCOC(=O)CCNC(=O)NNC(=O)c1cn[nH]c1 858704563 MPLRIJNNJQEKQF-UHFFFAOYSA-N 283.288 -0.303 50 20 CBGD CC1CC(C#N)(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 862456938 WTFMPNAJRHTIKY-UWZOBUBJSA-N 264.285 -0.648 50 20 CBGD Cc1[nH]c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C)c1C=O 862464241 VPRLSEHXVBZTSQ-SECBINFHSA-N 292.295 -0.516 50 20 CBGD CN(C)c1ncc(C=NNC(=O)[C@H]2CCC(=O)N2)s1 863148166 VKOWJUOHEPJPFP-MRVPVSSYSA-N 281.341 -0.062 50 20 CBGD COC(=O)[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1C 863880101 NYAFZPIEMGSOEF-SKDRFNHKSA-N 291.112 -0.610 50 20 CBGD OB(O)c1cccc(-c2noc(CC3OCCCO3)n2)c1 863893509 XNFKROURXZUTKE-UHFFFAOYSA-N 290.084 -0.278 50 20 CBGD CC[C@@H](NC(C)=O)C(=O)NNC(=O)[C@@H]1CCCCO1 868619740 RVPDKIQXLYKMKS-ZJUUUORDSA-N 271.317 -0.382 50 20 CBGD COCCOCC(=O)NNC(=O)Cn1cc(C)cn1 869909270 OVOYUUXJNCLGAG-UHFFFAOYSA-N 270.289 -0.998 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC[C@@H](CF)C2)N1 883738161 RNCWQGYOBHNZEV-JGVFFNPUSA-N 272.280 -0.703 50 20 CBGD C[C@H](O)CN(C)NC(=O)CSc1nnnn1C1CC1 910173895 ONLUIDOGGGXTGA-ZETCQYMHSA-N 286.361 -0.556 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cc2n(n1)CCCC2=O 910183603 NCFSYZAWVGWXSP-MRVPVSSYSA-N 266.301 -0.183 50 20 CBGD Cc1cc(OCC(=O)NNC(=O)CN2CCCC2=O)no1 921189441 KPAUFXZAAWBTRZ-UHFFFAOYSA-N 296.283 -0.868 50 20 CBGD Cn1ccc(CCNC(=O)NNC(=O)c2cn[nH]c2)n1 1118806384 WPYFCEZLVCQZLU-UHFFFAOYSA-N 277.288 -0.670 50 20 CBGD CC(=NNC(=O)C(=O)NC1CC1)c1c(C)nc(O)nc1O 1317756920 YKBAUVIUFSVZGD-UHFFFAOYSA-N 293.283 -0.685 50 20 CBGD Cc1nn(C)cc1CCC(=O)NNC(=O)N1CCOCC1 1318514662 RXFLQDZUZONARW-UHFFFAOYSA-N 295.343 -0.266 50 20 CBGD O=C(NCCC1CCOCC1)NNC(=O)C(=O)NC1CC1 1318564901 RSGGVTJRBRBYOR-UHFFFAOYSA-N 298.343 -0.588 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc(C)nc1N(C)C 1320224705 VFTCZFSUTURIPP-UHFFFAOYSA-N 279.300 -0.438 50 20 CBGD CN(C)Cc1cc(C(=O)NNC(=O)Cc2cc[nH]n2)no1 1320420862 QXHFEGGZYQSLDB-UHFFFAOYSA-N 292.299 -0.537 50 20 CBGD O=C(CCO)NNC(=O)C(=O)Nc1cccc(F)c1 1320521423 VQSOEJXKTDOPKW-UHFFFAOYSA-N 269.232 -0.706 50 20 CBGD O=C(CO)NNC(=O)CCc1nc(-c2ccccc2)no1 1325299958 NPWGFBTTYCZFAI-UHFFFAOYSA-N 290.279 -0.191 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1c(C)cnn1CC 1328086850 TYIYKUJNKFEVHH-UHFFFAOYSA-N 297.315 -0.666 50 20 CBGD Cn1ncc(C=NNC(=O)[C@H]2CCC(=O)N2)c1Cl 1329112148 WVLFYCLLWMLPHR-SSDOTTSWSA-N 269.692 -0.198 50 20 CBGD Cc1nnc2n1C[C@@H](C(=O)NN(C)[C@@H](C)CO)CC2 1336010650 JTRADFYVXWRJHO-WPRPVWTQSA-N 267.333 -0.507 50 20 CBGD O=C(CN1CCC(CO)CC1)NNC(=O)NCC1CC1 1346763644 OLUUGFYVPPSWQA-UHFFFAOYSA-N 284.360 -0.569 50 20 CBGD COc1ccnc(NNC(=O)[C@H]2CN3CCN2C[C@H]3C)n1 1518889056 FSYYTPQPTNLWQC-NXEZZACHSA-N 292.343 -0.683 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccc(-c2nn[nH]n2)cn1 1556926543 UTFXKAGOCTZKMY-ZETCQYMHSA-N 277.288 -0.781 50 20 CBGD C[C@@H](CCCCN)NCc1ccc(B(O)O)cc1 1575942796 IIVKHJZTUHMUCZ-NSHDSACASA-N 250.151 -0.027 50 20 CBGD COc1ccc(C(=O)NNC(=O)CON)cc1OC 1579194456 NIQNJLCFKVSJQM-UHFFFAOYSA-N 269.257 -0.645 50 20 CBGD CC(C)[C@@H](C(=O)NN(C)C(N)=O)N1CCCC1=O 181078836 IBNXUAUSIRTDJK-VIFPVBQESA-N 256.306 -0.325 50 20 CBGD C[C@H](NC(=O)CC(C)(C)C)C(=O)NN(C)C(N)=O 187461939 FMUPFDZLTDSAPL-ZETCQYMHSA-N 258.322 -0.031 50 20 CBGD CCNC(=O)CNC(=O)NNc1nc(C)cc(C)n1 193276805 UATWGBZZIWSBQJ-UHFFFAOYSA-N 266.305 -0.144 50 20 CBGD O=S(=O)(CCCCl)NCCCOCCO 230794927 MANOGSCAVSKOHC-UHFFFAOYSA-N 259.755 -0.066 50 20 CBGD O=C1C[C@H](C(=O)NNc2nnc(C3CC3)s2)CN1 273644298 VVJLQTUUFDJSJF-LURJTMIESA-N 267.314 -0.005 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1ncccc1C 276798865 XZQNLDLIHNJJPA-UHFFFAOYSA-N 258.303 -0.618 50 20 CBGD COC(=O)N(C)NC(=O)C1=C(C)OCCS1(=O)=O 286306966 KFGATEQRCWEPIC-UHFFFAOYSA-N 278.286 -0.608 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)nn1 294326813 SLHOCLHFYKZMKQ-CBAPKCEASA-N 280.284 -0.186 50 20 CBGD O=C(CO)NNC(=O)CC[C@H]1Cc2ccccc2NC1=O 370346609 ASJCMMOAGNWZRG-JTQLQIEISA-N 291.307 -0.283 50 20 CBGD CCO/C=C(/C#N)C(=O)NCCCN1C(=O)CNC1=O 490752769 FNTZGKZZSPRSPI-HJWRWDBZSA-N 280.284 -0.512 50 20 CBGD CC1(C)CN(C(=O)c2ccc(B(O)O)c(F)c2)CCN1 584958156 WLYHCBUMSMXNRM-UHFFFAOYSA-N 280.108 -0.671 50 20 CBGD C[C@H](O)C[C@@H]1CCCN1C(=O)c1cccc(B(O)O)c1 584966076 VYIGTYHBCRDZKD-GWCFXTLKSA-N 277.129 -0.258 50 20 CBGD CO[C@H]1CCC[C@H]1CNC(=O)c1ccc(B(O)O)cc1 584970494 CWUNYHPJHJFVGT-AAEUAGOBSA-N 277.129 -0.089 50 20 CBGD CC(C)[C@@H](CO)NC(=O)c1cc(B(O)O)ccc1F 584970533 ZZYDWBWKDLBVRU-LLVKDONJSA-N 269.081 -0.748 50 20 CBGD COCC[C@@H](C)CNC(=O)c1cccc(B(O)O)c1 584998696 BTHYZSJFTBNRNL-SNVBAGLBSA-N 265.118 -0.231 50 20 CBGD C[C@H]1NC(=O)CC[C@H]1CNC(=O)c1cccc(B(O)O)c1 585002238 QXDMAFBWELUZEK-KOLCDFICSA-N 290.128 -0.989 50 20 CBGD COc1ccc(/C=C/C(=O)NCB(O)O)cc1OC 585057110 LVKQEARWFXNZCI-GQCTYLIASA-N 265.074 -0.155 50 20 CBGD CN(C)c1ncc(CN2CC[C@@H](B(O)O)C2)cn1 585077116 QZQOZEKQUWLRRZ-SNVBAGLBSA-N 250.111 -0.409 50 20 CBGD CCn1nc(C(=O)NNC(=O)c2ccccn2)ccc1=O 732049207 QWWAQKXMUALWHK-UHFFFAOYSA-N 287.279 -0.267 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](O)C(C)(C)C 735416801 ITSQHZGFQZQRPT-CBAPKCEASA-N 274.317 -0.118 50 20 CBGD CC(=O)N[C@H](C(=O)NNC(=O)Cc1ccncc1)C(C)C 747323628 CDTAINPGUZMMAJ-ZDUSSCGKSA-N 292.339 -0.068 50 20 CBGD COC(=O)CCCNC(=S)NNC(=O)CCN(C)C 747723794 OYVPZDNRMFLRJL-UHFFFAOYSA-N 290.389 -0.613 50 20 CBGD COCCO[C@H](C)C(=O)NN=Cc1cnn(C)c1 748252018 ACZVKMASQYUFMS-SECBINFHSA-N 254.290 -0.078 50 20 CBGD COC[C@H](NCC(=O)NNC(=O)C1CC1)C1CC1 754213175 VVDLTOFUNKESKB-JTQLQIEISA-N 255.318 -0.442 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNc1ccc(C(F)(F)F)nn1 755197411 MCWZFXURWQBAOA-BYPYZUCNSA-N 292.221 -0.005 50 20 CBGD CC(=O)NNC(=O)Nc1cccnc1-n1cncn1 765175114 LNIFNGLGPWDMNO-UHFFFAOYSA-N 261.245 -0.165 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCO1 771932925 CLSVCMMTOSXSEF-SFYZADRCSA-N 258.274 -0.346 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)COCCOC 772019025 WWKQYOPUONJHBZ-MRVPVSSYSA-N 276.289 -0.862 50 20 CBGD Cc1nccc(NC(=O)NNC(=O)c2cnn(C)c2)n1 776493796 VTFXLBCAHKILRC-UHFFFAOYSA-N 275.272 -0.015 50 20 CBGD COc1ccnc(NNC(=O)c2cnn(C)c2N)n1 777794307 GCCISUJHIXANDB-UHFFFAOYSA-N 263.261 -0.442 50 20 CBGD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NNC(=O)c1ccc[nH]1 779489118 NJKYGWVIQIDTBL-XCBNKYQSSA-N 294.311 -0.949 50 20 CBGD O=C(NNC(=O)[C@H]1CCCN1C1CC1)C(=O)NC1CC1 786733457 YMPHQHXSHNFZEZ-SNVBAGLBSA-N 280.328 -0.961 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1COCCO1 790063522 LLGBAWPGNALCDQ-VIFPVBQESA-N 290.316 -0.662 50 20 CBGD Nc1nccnc1C(=O)NNc1nc2ccccn2n1 791258918 JXTZVDMNKQQOSD-UHFFFAOYSA-N 270.256 -0.142 50 20 CBGD COc1cc(C)nc(NNC(=O)NCCC(=O)O)n1 818560099 NRXHTSDLQFARCQ-UHFFFAOYSA-N 269.261 -0.106 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)CC1CC1 819110294 XWMSANDIFOYBQW-SNVBAGLBSA-N 255.318 -0.345 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1COCCN1CC(F)F 823934640 IRDGIZCXYNQRKE-IUCAKERBSA-N 281.303 -0.704 50 20 CBGD C[C@H](CO)N(C)NC(=O)Cn1c(=O)n(C)c2ccccc21 823982957 HZJBXJPUBWXWLX-SNVBAGLBSA-N 292.339 -0.316 50 20 CBGD CC(=O)NCC(=O)NNc1cccc(-c2nn[nH]n2)c1 823993931 BVEVXYHRQFMHST-UHFFFAOYSA-N 275.272 -0.554 50 20 CBGD C[C@@H]1CCCN(C(=O)C(=O)NNC(=O)[C@H]2CCCCO2)C1 833241458 ATKLWIDPSWIWEL-GHMZBOCLSA-N 297.355 -0.039 50 20 CBGD CC1CCN(C(=O)C(=O)NNC(=O)[C@@H]2CCCCO2)CC1 833242902 PUASOBICZPPQSA-NSHDSACASA-N 297.355 -0.039 50 20 CBGD CCN1C[C@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)CC1=O 836608597 VOHVBCNVZNTKHL-ZJUUUORDSA-N 298.343 -0.493 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](O)c1cccnc1 843973564 YRLXEBRXGJCWPR-JMJZKYOTSA-N 279.296 -0.313 50 20 CBGD CN1C(=O)CC[C@@H]1CC(=O)NNC(=O)NCC(F)(F)F 847117885 YZPXREWXSDMQIO-ZCFIWIBFSA-N 296.249 -0.110 50 20 CBGD CCO/C=C/C(=O)NNC(=O)N1CCN(C)CC1 854383044 UJPUTGHGFZZARH-RUDMXATFSA-N 256.306 -0.475 50 20 CBGD COC(=O)C[C@H](C)CC(=O)NNC(=O)c1cc[nH]n1 855356564 UQDITRSYHNSQPI-SSDOTTSWSA-N 268.273 -0.240 50 20 CBGD CCCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1cc[nH]n1 855359408 QNOLLIRNRIXZAE-SNVBAGLBSA-N 293.327 -0.038 50 20 CBGD CSCC[C@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858233781 UYTLCZRHEBZSAF-YUMQZZPRSA-N 288.373 -0.263 50 20 CBGD CCCCN(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858693840 ZWLKDLJKORHWBZ-MRVPVSSYSA-N 256.306 -0.262 50 20 CBGD CC(C)[C@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 858694954 CVUUMTXKRFZSCJ-VHSXEESVSA-N 298.343 -0.637 50 20 CBGD CCCN1C[C@@H](C(=O)NNC(=O)c2cn[nH]c2)CC1=O 862469316 GPXDUVWKRLIORZ-QMMMGPOBSA-N 279.300 -0.571 50 20 CBGD O=C(C[C@H]1CCCOC1)NNC(=O)c1cn[nH]c1 862470292 MASKXEBWVACPAG-MRVPVSSYSA-N 252.274 -0.013 50 20 CBGD Cc1cc(=NNC(=O)CN2CCOCC2)cc[nH]1 862514791 XICXWXXBDSDAJK-UHFFFAOYSA-N 250.302 -0.413 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)Cc2cc(C)[nH]n2)C1 869014399 RYWRDYWCCZDWBB-NSHDSACASA-N 295.343 -0.871 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1C[C@H]2COC[C@H]2C1 873052343 OHCVSNUOHQLUJJ-UKKRHICBSA-N 283.328 -0.270 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccsc1C 873804725 LLFPBBNMRAWKLZ-UHFFFAOYSA-N 271.298 -0.211 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H](NC=O)C(C)C 887151657 FWUSESKLBWDAML-NSHDSACASA-N 253.302 -0.292 50 20 CBGD O=C(/C=C/CN1CCOCC1)NNC(=O)c1cccnn1 921315297 BLMJFMDMGOOQSL-DUXPYHPUSA-N 291.311 -0.874 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)n(C)n1 1115925288 GRUQUQANXLLNEL-UHFFFAOYSA-N 279.300 -0.888 50 20 CBGD O=C(C[C@@H]1COC(=O)C1)NNC(=O)N=c1cc[nH]cc1 1116947261 CCYFNQBOWBCGHP-QMMMGPOBSA-N 278.268 -0.391 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC(=O)NCC1CC1 1118187470 PECDCCSTVNJIKC-WCBMZHEXSA-N 298.343 -0.732 50 20 CBGD N#Cc1ccnc(N2CC[C@H](B(O)O)C2)c1[N+](=O)[O-] 1118916770 UVLGSPFXQGURNU-QMMMGPOBSA-N 262.034 -0.085 50 20 CBGD CC(C)C(=O)NNC(=O)CSc1nnc(N)n1C 1261552701 AVSGNLAKVJMMIZ-UHFFFAOYSA-N 272.334 -0.707 50 20 CBGD Cc1cc(CC(=O)NNC(=O)C(=O)N2CCCC2)no1 1319272192 JYCVOSQNFSRKEC-UHFFFAOYSA-N 280.284 -0.705 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=CC1CCOCC1 1319589000 XJOSFEDEJFRKRZ-MRVPVSSYSA-N 277.346 -0.547 50 20 CBGD C[S@](=O)c1ccc(CC(=O)NNC(=O)CO)cc1 1321297004 GXVBNWIMKGDDOW-SFHVURJKSA-N 270.310 -0.894 50 20 CBGD O=C(NNC(=O)[C@@H]1CCC(F)(F)C1)C(=O)NC1CC1 1322455223 HMIXLVUBWNMOJW-ZCFIWIBFSA-N 275.255 -0.152 50 20 CBGD Cn1cc(CCC(=O)NNc2ccc(C(N)=O)nn2)cn1 1323769510 GHVUOBJBQHKJDX-UHFFFAOYSA-N 289.299 -0.615 50 20 CBGD Cc1cncc(NC(=O)C(=O)NNC(=O)CN(C)C)c1 1323945448 XWOVCKDMZSZRAZ-UHFFFAOYSA-N 279.300 -0.962 50 20 CBGD O=C(NC[C@H]1CCCS1(=O)=O)NNc1cccnn1 1324629189 LBCNHYVFPSEFCL-MRVPVSSYSA-N 285.329 -0.320 50 20 CBGD COCCN(C)NC(=O)C[C@@H]1CCCS(=O)(=O)C1 1326783902 HUUIAJYBVAWVQL-JTQLQIEISA-N 278.374 -0.189 50 20 CBGD CN(C[C@@H]1CCCOC1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1329192195 RKZOXJNKLZZTBS-VHSXEESVSA-N 298.343 -0.636 50 20 CBGD CC(=O)N1CC[C@@H](NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1 1329492221 SNHUUKMGDOHCKE-GDPRMGEGSA-N 298.343 -0.637 50 20 CBGD C[C@@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)CCO1 1331313728 ZEHSWKYUXBTURS-SSDOTTSWSA-N 253.262 -0.515 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cn(C)cn1 1341306796 BUCDTBALFKDLQY-WCBMZHEXSA-N 281.316 -0.325 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)Cc1ccncc1 1347615853 DKLSKJHCZPWAMW-JTQLQIEISA-N 267.285 -0.567 50 20 CBGD COCCOCCNC(=O)NNC(=O)c1cn[nH]c1 1348100492 WXSFYBFBNFJFEH-UHFFFAOYSA-N 271.277 -0.983 50 20 CBGD COCCn1cc(C(=O)N2CC[C@@H](B(O)O)C2)cn1 1348490843 VFEIYWCOYKLLFQ-SNVBAGLBSA-N 267.094 -0.782 50 20 CBGD O=C(NCc1ccco1)NNC(=O)[C@H]1CCNC1=O 1350606342 SOWRMRSENBBPJI-QMMMGPOBSA-N 266.257 -0.754 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1cnc2n1CCCC2 1352748744 GIKMSJLZRMDLIP-UHFFFAOYSA-N 287.345 -0.316 50 20 CBGD Cn1nccc1[C@H]1OCCC[C@H]1C=NNC(=O)CO 1552450285 VEPFYERNCPBPST-CABZTGNLSA-N 266.301 -0.018 50 20 CBGD Cc1nn[nH]c1C(=O)NNc1ncccc1C(=O)O 1574418836 XYVKSMBFIMPYAE-UHFFFAOYSA-N 262.229 -0.037 50 20 CBGD CCO/C=C(/C#N)C(=O)NNC(=O)NC1CCNCC1 1578100107 NXDCOTNTKJDGEJ-HJWRWDBZSA-N 281.316 -0.487 50 20 CBGD COc1nccnc1NNC(=O)[C@]1(C)CNCCO1 1579328734 BMTHSQMRUOPSEV-NSHDSACASA-N 267.289 -0.693 50 20 CBGD O=C(NNC(=O)[C@@H]1CCN1)c1cc2ccccc2oc1=O 1580733523 XCANVJRCPZWCMV-JTQLQIEISA-N 287.275 -0.084 50 20 CBGD O=C(O)CC[C@@H]1CC[C@H](C(=O)NNC(=O)NC2CC2)O1 1602036490 YYPWUTDCPGOPKW-DTWKUNHWSA-N 285.300 -0.108 50 20 CBGD C[C@]1(C(=O)NNC(=O)N[C@H]2C[C@@H](C(=O)O)C2)CCCO1 1609810676 RBJUZBSOIFACPL-RGNHYFCHSA-N 285.300 -0.251 50 20 CBGD CO[C@H]1CCN(CC(=O)NNC(=O)C2CC2)[C@@H](C(=O)O)C1 1610236621 GJUBZTLWTGQMKJ-VHSXEESVSA-N 299.327 -0.892 50 20 CBGD CN(CC(=O)N1CC=C(C#N)CC1)[C@@H]1CCS(=O)(=O)C1 1647133665 RCENPVNSPYJOPO-GFCCVEGCSA-N 297.380 -0.212 50 20 CBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl)C(O)O 1796804697 OAYJGZCDZKOIKP-ULAWRXDQSA-N 294.710 -0.530 50 20 CBGD CCOC(=O)NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 44009386 PMRNEJFRORMXOW-SSDOTTSWSA-N 255.274 -0.225 50 20 CBGD COC[C@H](C)NC(=O)NNC(=O)Cn1nc(C)cc1C 79116147 OPHWLDFOJUGRLD-VIFPVBQESA-N 283.332 -0.135 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(-n2cnnc2)cc1 113425509 KUZRSQCMSNIKJI-UHFFFAOYSA-N 288.311 -0.410 50 20 CBGD CCN(CC)C(=O)CCC(=O)NNC(=O)c1cnn(C)c1 152079612 URUQYJBLIMZSQX-UHFFFAOYSA-N 295.343 -0.170 50 20 CBGD COc1cccc(CCC(=O)NNC(=O)CO)c1 180953265 XJNUESFJGBRJQD-UHFFFAOYSA-N 252.270 -0.233 50 20 CBGD C#CCC(C)(C)C(=O)NNC(=O)C(=O)N1CCCC1 186015999 RCQUBTQVMSPBLB-UHFFFAOYSA-N 265.313 -0.194 50 20 CBGD CNC(=O)NNC(=O)[C@H](C)n1nnnc1C(C)(C)C 272257629 PXJUGXNDAZAULH-LURJTMIESA-N 269.309 -0.508 50 20 CBGD O=C(O)CCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 274362613 SPCBUXPQYCQCAM-SNVBAGLBSA-N 294.263 -0.161 50 20 CBGD CCNC(=O)N(C)NC(=O)C[C@@H]1CCCC(=O)N1 289504488 TYIQUEOTSNSNJC-QMMMGPOBSA-N 256.306 -0.262 50 20 CBGD C=CCNC(=S)NNC(=O)C[C@H]1CCCC(=O)N1 291510551 XDPIOCOXHGFPGY-MRVPVSSYSA-N 270.358 -0.274 50 20 CBGD O=C(NCCN1CCOCC1)NNc1ncncc1F 291945491 PYLXABCSPRIKCX-UHFFFAOYSA-N 284.295 -0.426 50 20 CBGD CC(=O)NCCCNS(=O)(=O)CBr 308142892 JRSITPMOYISDHC-UHFFFAOYSA-N 273.152 -0.216 50 20 CBGD CCCCOCCNC(=O)COc1ccc(B(O)O)cc1 584909596 NCMLLADUAMJGHN-UHFFFAOYSA-N 295.144 -0.322 50 20 CBGD C[C@@]1(CNC(=O)c2cc(B(O)O)ccc2F)CCOC1 584946592 VEKWTNFHKAXVDD-ZDUSSCGKSA-N 281.092 -0.338 50 20 CBGD COC[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(C)C 584949718 GVGWPRLBHGVSAS-LBPRGKRZSA-N 283.108 -0.094 50 20 CBGD C[C@@H](O)CCN(C)C(=O)c1cccc(B(O)O)c1 584958140 VSRGMDNJCWTGLS-SECBINFHSA-N 251.091 -0.791 50 20 CBGD CC1(C)CN(C(=O)c2ccc(B(O)O)cc2)CC[C@H]1O 584979596 ZDTZXUOHGHLZMX-GFCCVEGCSA-N 277.129 -0.401 50 20 CBGD CN(C)CC1CN(C(=O)c2ccc(B(O)O)cc2)C1 584994798 FCKZYLWYIOXANZ-UHFFFAOYSA-N 262.118 -1.000 50 20 CBGD CCN1C[C@@H](C)N(C(=O)c2ccc(B(O)O)cc2)[C@H](C)C1 584998002 NKOYZFXYFGEPJV-VXGBXAGGSA-N 290.172 -0.079 50 20 CBGD OB(O)c1ccc(CNC[C@H]2CCCO2)c(F)c1 585013995 FOMPLMALLNYASZ-LLVKDONJSA-N 253.082 -0.226 50 20 CBGD CCCNC(=O)CCNCc1cccc(B(O)O)c1 585018473 MBTCBVHMWYHHMB-UHFFFAOYSA-N 264.134 -0.628 50 20 CBGD OB(O)c1ccc(CNC[C@H](O)COc2ccccc2)o1 585018484 WEYIGJVTQUSJDQ-NSHDSACASA-N 291.112 -0.511 50 20 CBGD C[C@H](CCN1CCOCC1)NCc1ccc(B(O)O)cc1 585033127 YGDYAFMFZRILPK-CYBMUJFWSA-N 292.188 -0.433 50 20 CBGD CN1CCCC[C@@H](CNCc2ccc(B(O)O)o2)C1 585049881 YVTAMWLWNCUHRP-NSHDSACASA-N 266.150 -0.219 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1ccc[nH]1)N1CCN(C)CC1 725879381 RMPPOXVUIAPMMP-JTQLQIEISA-N 279.344 -0.588 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CC(C)(C)C 728610383 ZQNMQQUBEAPNFJ-SSDOTTSWSA-N 279.362 -0.492 50 20 CBGD O=C1CC(C(=O)NNc2ccccc2[N+](=O)[O-])=NN1 731873400 OARJJTSCXPISTR-UHFFFAOYSA-N 263.213 -0.086 50 20 CBGD COC(=O)NNS(=O)(=O)c1ccc(C(=O)O)o1 737642014 MAWQZYISRVMNSD-UHFFFAOYSA-N 264.215 -0.473 50 20 CBGD O=C(NNC(=O)C1CCC1)c1ccc(-c2nn[nH]n2)cn1 738130646 UGNJUDYEIYVWFW-UHFFFAOYSA-N 287.283 -0.177 50 20 CBGD Cc1nnc2n1C[C@@H](C(=O)NNC(=O)NCC1CC1)CC2 750728825 YZSKOTXXJGJVHU-JTQLQIEISA-N 292.343 -0.111 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=CC[C@@H]1CCOC1 765570789 BQTJRFUXTXAZDH-DTWKUNHWSA-N 277.346 -0.547 50 20 CBGD C#C[C@H](NCC(=O)NNC(=O)C1CC1)[C@H]1CCCO1 775799359 KLYNFUBUPPOJBC-WDEREUQCSA-N 265.313 -0.686 50 20 CBGD Cc1nnc(NNC(=O)c2c[nH]cc(C)c2=O)nc1O 781414810 CUKPTBYMMPQBEP-UHFFFAOYSA-N 276.256 -0.361 50 20 CBGD C[C@H](O)CN(CC(=O)NNC(=O)C(C)(C)C)[C@@H](C)CO 785536645 HHZIFBZXQSCANV-UWVGGRQHSA-N 289.376 -0.757 50 20 CBGD Cn1nnc2c(C(=O)NNC(=O)c3ccc[nH]3)ccnc21 801082695 FMQAWUPPIJIHQP-UHFFFAOYSA-N 285.267 -0.234 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2c[nH]nc2[N+](=O)[O-])n[nH]1 801634729 SNEWQBKPUWOHSW-UHFFFAOYSA-N 279.216 -0.576 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@H]1CCCS(=O)(=O)C1 816824226 SDXPBGKPFZJETD-VIFPVBQESA-N 299.352 -0.389 50 20 CBGD O=C1CCC[C@H](C(=O)NNc2ncncc2F)N1 817079885 NPBDNLHMSIGBPI-SSDOTTSWSA-N 253.237 -0.273 50 20 CBGD CC(=NNC(=O)c1ccncc1)c1cn(CC(=O)O)nn1 825804695 VJYPSLPGCNVZQJ-UHFFFAOYSA-N 288.267 -0.088 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CO[C@H](C)C1 827258678 CLMZNRUQAPWVAS-XFWSIPNHSA-N 271.317 -0.081 50 20 CBGD Cc1nc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)nn1C 831827629 QXCYSYSUTYGFIU-XPUUQOCRSA-N 282.304 -0.299 50 20 CBGD C[C@H]1CCCN(C(=O)C(=O)NNC(=O)[C@H]2CCCCO2)C1 833241464 ATKLWIDPSWIWEL-WDEREUQCSA-N 297.355 -0.039 50 20 CBGD CC(C)N(C)S(=O)(=O)NNC(=O)[C@H]1CCO[C@@H]1C 842591903 HJPAMKQBIBJHOP-BDAKNGLRSA-N 279.362 -0.383 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCCNC(=O)C1CC1 843976320 XTJYULPDXZHIOJ-KOLCDFICSA-N 297.355 -0.135 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CCCS1(=O)=O 846786495 SHXKUBQWBPOSCI-VIFPVBQESA-N 285.325 -0.637 50 20 CBGD CN(C[C@H](O)CN1CCOCC1)S(=O)(=O)CCl 849381528 YDAJHHCUGWLECQ-VIFPVBQESA-N 286.781 -0.863 50 20 CBGD NC[C@@H](NS(=O)(=O)CBr)C1CC1 850583769 GYXGTEIKBGEGOB-ZCFIWIBFSA-N 257.153 -0.005 50 20 CBGD NC[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccccc1 852894086 MRJROXGKJWLSGI-WDEREUQCSA-N 263.297 -0.189 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1COCCN1CC(F)F 854923027 XOOPUMYIBPPPDG-SSDOTTSWSA-N 296.343 -0.580 50 20 CBGD C[C@@H](Cc1cnn(C)c1)C(=O)NNC(=O)c1cc[nH]n1 855354843 KKUIHHVLKYCOFW-QMMMGPOBSA-N 276.300 -0.217 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc(F)cnc1O 857110544 XEPCALVJISONMZ-UHFFFAOYSA-N 256.237 -0.751 50 20 CBGD CCCC(=O)N1CSC[C@H]1C(=O)NNc1cnnn1C 857271798 ZRJQHFKOBXTQFB-QMMMGPOBSA-N 298.372 -0.040 50 20 CBGD COC(C)(C)CNC(=O)NNC(=O)c1cn[nH]c1 858253311 ACQISACILJXNOO-UHFFFAOYSA-N 255.278 -0.221 50 20 CBGD C[C@@H]1SCC[C@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858577553 KXOMQHLINGXDLI-RNJXMRFFSA-N 286.357 -0.511 50 20 CBGD O=Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cs1 862456813 UDZNMXHBSCDYEY-MRVPVSSYSA-N 281.293 -0.400 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)N1 862463311 ANQKDSCWWMCTRR-MHDGFBEUSA-N 299.330 -0.002 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)[C@@H]1CCCOC1 863188116 YZUMROYOISKWBN-SECBINFHSA-N 262.331 -0.050 50 20 CBGD CC[C@]1(C(=O)NN(C)C(=S)NC)CCNC1=O 868860697 HGMPKWNEYXGDEU-JTQLQIEISA-N 258.347 -0.630 50 20 CBGD Cc1cc(CC(=O)NNC(=O)C2=COCC2)n[nH]1 869012263 LEUNADMSSWUTKL-UHFFFAOYSA-N 250.258 -0.288 50 20 CBGD CCc1ccc(CC(=O)NNC(=O)COCCOC)nc1 869905444 NGUWFLUWNRGMTE-UHFFFAOYSA-N 295.339 -0.003 50 20 CBGD CC(C)N1CCN(CCC(=O)NNC(=O)C2CC2)CC1 899934174 CLKVKIFHXULJSM-UHFFFAOYSA-N 282.388 -0.040 50 20 CBGD O=C(CCN1CCCS1(=O)=O)NNc1ncccn1 918320954 YOFJQFLRSCBSBA-UHFFFAOYSA-N 285.329 -0.655 50 20 CBGD Cc1cccc(OCC(=O)NNC(=O)NCC#CCO)c1 923789253 LVCUHGUKCGHJKQ-UHFFFAOYSA-N 291.307 -0.300 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc(CNC(N)=O)cc1 1115915885 SVXUQKIDVKYRRJ-UHFFFAOYSA-N 279.300 -0.229 50 20 CBGD Cn1ccnc(NNC(=O)c2nccs2)c1=O 1116806688 YOSURWLVBCWLCT-UHFFFAOYSA-N 251.271 -0.006 50 20 CBGD C#CCN1CCC(C(=O)NNC(=O)C2CCOCC2)CC1 1119344514 OTFBPPGCWAWZCG-UHFFFAOYSA-N 293.367 -0.094 50 20 CBGD CCCNC(=O)NNC(=O)[C@H]1CN2CCN1C[C@@H]2C 1123607371 PPBIXKDMBHGEHN-VHSXEESVSA-N 269.349 -0.885 50 20 CBGD CC(C)CC(=O)NNC(=O)NC[C@@H]1CCS(=O)(=O)C1 1317872371 WYKSPHVNKLDNPP-VIFPVBQESA-N 291.373 -0.202 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccncn1 1320455420 HHPWFSNGUFUNTB-SSDOTTSWSA-N 266.257 -0.421 50 20 CBGD Cc1cnc(COCC(=O)NNC(=O)N(C)C)o1 1322427303 JCHVASWKJYQYOB-UHFFFAOYSA-N 256.262 -0.198 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)NCc1ccco1 1324321530 XHNYXDMBTHZGMB-UHFFFAOYSA-N 275.286 -0.845 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCCS(C)(=O)=O 1328553095 YNRPICYZLFFHMT-BDAKNGLRSA-N 292.357 -0.616 50 20 CBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)NCC(F)(F)F 1329065474 ABFQVRAKXVBAED-CRCLSJGQSA-N 282.222 -0.609 50 20 CBGD C#CCN1CCC[C@H](NCc2ccccc2B(O)O)C1 1332738417 HHKANRKHWKSKED-AWEZNQCLSA-N 272.157 -0.446 50 20 CBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1sccc1C#N 1343916165 LHYKCIPBNJZGAK-UHFFFAOYSA-N 295.324 -0.733 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1nncn1C 1346001073 FKSFWPIKTXGLBX-YIZRAAEISA-N 296.331 -0.369 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H](c1nncn1C)C(C)C 1346620048 ABPDPOLUCLYCNJ-JTQLQIEISA-N 298.347 -0.121 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCc2ncncc2C1 1350779028 WMVPINKNALPBRT-UWVGGRQHSA-N 264.329 -0.075 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1588440255 PAOGNORTPZYPJO-BDAKNGLRSA-N 268.269 -0.431 50 20 CBGD CC(C)(C(=O)O)C(=O)NNC(=O)N1CCOCC1 1588618373 GTOLBARSQXIYRS-UHFFFAOYSA-N 259.262 -0.830 50 20 CBGD C[C@H](C(=O)NN(C)C1CC1)n1cnc(-c2nn[nH]n2)n1 1588999112 HFWMWBMXHXNVEP-ZCFIWIBFSA-N 277.292 -0.855 50 20 CBGD O=C(CC1CC1)NNC(=O)[C@@]1(C(=O)O)CCCO1 1594678174 GGRDPPRDLSJJTB-LLVKDONJSA-N 256.258 -0.432 50 20 CBGD Cc1nc(CCNC(=O)NNC(=O)C(=O)O)cs1 1600698882 NTPNYMGIRYLTHT-UHFFFAOYSA-N 272.286 -0.591 50 20 CBGD COC[C@H](C)NC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1605051443 ABSMQNKAGFESNI-ZETCQYMHSA-N 292.303 -0.077 50 20 CBGD Cn1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)n2C)n1 1606254071 WARRIPBOEWZGBY-UHFFFAOYSA-N 287.287 -0.304 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)O)O2)n1C 1608018534 JHOBRVRLULJNBB-LPBLVHEISA-N 283.288 -0.555 50 20 CBGD COC(=O)NCC(=O)NNC(=O)Cc1ccc(F)cc1 48911615 OOQAHKPAVVFXNH-UHFFFAOYSA-N 283.259 -0.128 50 20 CBGD O=C(Cc1cccc(F)c1F)NNC(=O)C(=O)NC1CC1 87005833 PZPXNGFHOQMJAL-UHFFFAOYSA-N 297.261 -0.067 50 20 CBGD COC(=O)COCC(=O)NNC(=O)c1ccccc1C 289131754 SQPGGVMQRIXRGW-UHFFFAOYSA-N 280.280 -0.054 50 20 CBGD Cc1ccn2ncc(C(=O)NNC(=O)[C@@H]3CCCO3)c2n1 294488586 CDEZAJSBJVBHMQ-JTQLQIEISA-N 289.295 -0.022 50 20 CBGD CC[C@@H](OC)C(=O)NNC(=O)CNC(=O)c1ccco1 299701843 VPIDMCDINDCFPV-MRVPVSSYSA-N 283.284 -0.418 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@H]1CCc2nccn2C1 372740637 LZRYHUSFYJUKBH-JTQLQIEISA-N 293.327 -0.482 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)c1cn(C2CCC2)nn1 584911612 KFMMRVFNTDWHEW-UHFFFAOYSA-N 286.100 -0.065 50 20 CBGD O=C(NC[C@H](CO)CC1CC1)c1ccc(B(O)O)c(F)c1 585006177 SEDPQMSCVYCJQZ-SNVBAGLBSA-N 295.119 -0.356 50 20 CBGD Cc1nnc2n1CCC[C@@H]2NCc1ccc(B(O)O)cc1 585025838 DZJKKSOREZISKJ-ZDUSSCGKSA-N 286.144 -0.109 50 20 CBGD Cn1cc([C@H](O)CNCc2ccc(B(O)O)cc2F)cn1 585026337 LXBWUTNVXGAZNR-CYBMUJFWSA-N 293.107 -0.938 50 20 CBGD OB(O)c1cccc(CNc2ccn(CC(F)F)n2)c1 585029706 BNIZDDYNIJQINI-UHFFFAOYSA-N 281.071 0.440 50 20 CBGD CN1CCN(CCCNCc2ccccc2B(O)O)CC1 585032920 QWFPOUYXXREOTJ-UHFFFAOYSA-N 291.204 -0.907 50 20 CBGD C[C@@H]1C[C@H](CNCc2ccc(B(O)O)o2)CCO1 585034816 OFBGGEBOFMZWGY-NXEZZACHSA-N 253.107 -0.136 50 20 CBGD CCCN(CCC)C(=O)CCCC(=O)NCB(O)O 585060072 LXTGMEXQTZDARA-UHFFFAOYSA-N 272.154 -0.067 50 20 CBGD C[C@@H]1COCCN1CCNC(=O)NNc1ncccn1 729615077 WRGSIIPYWJRCNF-SNVBAGLBSA-N 280.332 -0.177 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](C(=O)O)C1 736847030 JKHBGGJZCZQTSD-IUCAKERBSA-N 271.317 -0.271 50 20 CBGD NC(=O)C(=O)NN=Cc1cnc2ccc(Cl)cn12 737417012 WGHKVCDCCACMSB-UHFFFAOYSA-N 265.660 -0.077 50 20 CBGD COc1cc(C)nc(NNC(=O)c2c[nH]c(C(N)=O)c2)n1 746626123 WWGUTAVEHRPWBX-UHFFFAOYSA-N 290.283 -0.022 50 20 CBGD CC(C)[C@H]1C[C@H](CC(=O)NNC(=O)CO)CCO1 753438858 SLDHNWWXWUEQQE-NXEZZACHSA-N 258.318 -0.033 50 20 CBGD CN(C)c1ccc(CCC(=O)NNC(=O)CO)cc1 753442675 LWVJODZYMAPOMA-UHFFFAOYSA-N 265.313 -0.175 50 20 CBGD COC1(C(=O)NNc2ccc(C(N)=O)nn2)CCCC1 754256133 BVACAJLEDZFGHK-UHFFFAOYSA-N 279.300 -0.022 50 20 CBGD O=C(NNC(=O)C1(O)CCSCC1)N1CCOCC1 764935921 XPOLCHCUGPIWNB-UHFFFAOYSA-N 289.357 -0.683 50 20 CBGD CCC(=O)NNS(=O)(=O)c1cccc2nonc12 765024153 CDAFNKCFPCIBBL-UHFFFAOYSA-N 270.270 -0.058 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCN2C(=O)CC[C@@H]2C1 766273134 UYVKOMPCGRZOCP-SNVBAGLBSA-N 296.371 -0.514 50 20 CBGD COc1cc(C)nc(NNC(=O)C(C)(C)C(N)=O)n1 768003408 HPGHJFGCJLCFSQ-UHFFFAOYSA-N 267.289 -0.252 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc(C#N)c(O)c1 768254731 CGAPOYATYBMJOZ-UHFFFAOYSA-N 263.253 -0.204 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@](C)(O)C(C)C 771375244 RKILMRABBVPTBM-CYBMUJFWSA-N 287.360 -0.154 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)CC[C@@H]1O 778252423 GWGVUWGGUCUVEC-SCZZXKLOSA-N 255.318 -0.754 50 20 CBGD C[C@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)[C@H](C(N)=O)C1 778294271 RNNDJAJFMUQFRP-UWVGGRQHSA-N 298.387 -0.234 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H]1CCCC[C@@H]1C(N)=O 782536777 XIMBWMYZBGYHDC-GUBZILKMSA-N 284.360 -0.434 50 20 CBGD CN1CCN(C(=O)NNC(=O)C2CCOCC2)CC1 788169263 LPZRPPMCMFWFNY-UHFFFAOYSA-N 270.333 -0.599 50 20 CBGD COc1cncc(C(=O)NNC(=O)Cc2cccnc2)n1 790589188 ACTDAEACBWRDII-UHFFFAOYSA-N 287.279 -0.116 50 20 CBGD CC(C)(O)C(=O)NNC(=O)Cc1ncccc1F 792478298 GYUGPNAXRKIQQN-UHFFFAOYSA-N 255.249 -0.319 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 794849640 CBPNLRMKUFVLNQ-WYUUTHIRSA-N 283.372 -0.262 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H]1CCc2nnc(C)n2C1 804125543 RZKGXUQGXAFKSP-MRVPVSSYSA-N 267.289 -0.122 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@H]1CCCC(=O)N1 808681363 CFSZFTYHXWXIEA-RKDXNWHRSA-N 299.327 -0.466 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@](C)(O)C1CCC1 813462573 YDNVZGBYBZCXHW-CQSZACIVSA-N 299.371 -0.010 50 20 CBGD CO[C@@H]1CCC[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)C1 814407699 KEHCAFYDPGZOBW-WDEREUQCSA-N 297.355 -0.039 50 20 CBGD COCCCNC(=O)NN=Cc1c(C)nn(C)c1N 814819701 QBEAGJGCPSHLPF-UHFFFAOYSA-N 268.321 -0.020 50 20 CBGD C[C@H](CO)N(C)NC(=O)CC[C@@]1(C)CCC(=O)N1 823939229 HGGUWTWYSLNYDO-BXKDBHETSA-N 257.334 -0.221 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 823976185 AOBZPMXEJKUVRA-KBVBSXBZSA-N 287.385 -0.216 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@H]1CCCc2nn[nH]c21 824621329 NESGADPORBETEN-QMMMGPOBSA-N 294.315 -0.702 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCO[C@H]2C[C@H]21 827268829 SNKIFWTWXXHYPY-QEYWKRMJSA-N 269.301 -0.375 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=S)NCCN(C)C 843277404 QAGISUJRNLEVNN-BDAKNGLRSA-N 274.390 -0.532 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H]2CCC[C@@H](N)[C@H]2C1 843368834 ZYNUCVBNFOKAMT-FIQHERPVSA-N 282.388 -0.009 50 20 CBGD COC(=O)C12CC(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)(C1)C2 843658417 KIFJCPHVVLKFGP-ZCHJWSHOSA-N 296.323 -0.098 50 20 CBGD COc1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)on1 843660792 LIZWWTWNOGWNOE-BQBZGAKWSA-N 269.257 -0.131 50 20 CBGD COc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)on1 843660796 LIZWWTWNOGWNOE-RNFRBKRXSA-N 269.257 -0.131 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cncc(O)c1 843970670 JDSSZFHZPZZGSZ-XCBNKYQSSA-N 265.269 -0.027 50 20 CBGD CSSCCNC(=O)Cn1cnc(C(N)=O)n1 844519502 GSAZYKHTMXUZBB-UHFFFAOYSA-N 275.359 -0.496 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H]1CC[C@H]1C(N)=O 847392179 NYJXZAJAAMCOIY-HTQZYQBOSA-N 256.306 -0.372 50 20 CBGD COCCN(C)NC(=O)c1cn(C)c(C)cc1=O 848378110 IKHRIMACABGWLV-UHFFFAOYSA-N 253.302 -0.083 50 20 CBGD CC(C)[C@H](CNC(=O)NNC(=O)[C@H]1CCCO1)C(=O)O 848589603 DVCCNTVWKAURDT-DTWKUNHWSA-N 287.316 -0.147 50 20 CBGD Cc1nc(O)[nH]c1C(=O)NNC(=O)N1CCN(C)CC1 854381957 WDQFHCIGOHIGGG-UHFFFAOYSA-N 282.304 -0.974 50 20 CBGD O=C(CC1CCCC1)NCC(=O)NNC(=O)c1cc[nH]n1 855358748 UTYPBFGHJOTRJI-UHFFFAOYSA-N 293.327 -0.133 50 20 CBGD Cc1cccnc1NNC(=O)CN1CC(=O)N(C)C1=O 861294242 QGEVOZZHPPMHDS-UHFFFAOYSA-N 277.284 -0.273 50 20 CBGD C[C@H](NNC(=O)[C@H]1CN(C)CCO1)C(F)(F)F 862311936 XDIGSWGGZXBLRI-NKWVEPMBSA-N 255.240 -0.111 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C)[nH]1 862451105 IRVMQGQVRGKTSQ-VIFPVBQESA-N 264.285 -0.329 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cccc3c2OCO3)N1 862453336 TYHUKJWVKIFPCF-MRVPVSSYSA-N 291.263 -0.545 50 20 CBGD CN(CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 862453655 LSNVTCJUVZUCNV-NSHDSACASA-N 290.323 -0.451 50 20 CBGD O=C(Cn1cc(C2CC2)cn1)NNC(=O)[C@H]1CCC(=O)N1 862464158 SWOFOHOJUXXDJD-SNVBAGLBSA-N 291.311 -0.814 50 20 CBGD CC(=O)OC(C)(C)C(=O)NNC(=O)c1cn[nH]c1 862470784 JJJJDSKQTHGQMO-UHFFFAOYSA-N 254.246 -0.488 50 20 CBGD CC(C)CN1C[C@@H](C(=O)NNC(=O)c2cn[nH]c2)CC1=O 862473292 MUBNVWCYQOBTHU-VIFPVBQESA-N 293.327 -0.325 50 20 CBGD Cc1cc(=NNC(=O)C2(S(C)(=O)=O)CC2)cc[nH]1 862512566 ZWYPWJWPBIMMGN-UHFFFAOYSA-N 269.326 -0.168 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1COc2ccccc21 863463730 RUVPWWOFLHFTGS-VIFPVBQESA-N 298.320 -0.645 50 20 CBGD COCCOCC(=O)NNC(=O)CCCC(C)=O 869912412 JXCCWRMOMHQEFI-UHFFFAOYSA-N 260.290 -0.444 50 20 CBGD Cc1cc(=NNC(=O)NC[C@H]2COCCO2)cc[nH]1 875127753 DTXWGNWKXUJDJS-NSHDSACASA-N 266.301 -0.147 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCO[C@@H](OC)C1 878970308 NCHSBNVLSGUTSZ-WCBMZHEXSA-N 259.306 -0.763 50 20 CBGD CO[C@@H](C(=O)NNC(=O)c1cccnn1)C1CC1 882058844 IWNUASIRGXVMNM-SECBINFHSA-N 250.258 -0.337 50 20 CBGD C#CCCCC(=O)NNC(=O)CCC(=O)NCC 887143153 NNFFYNQKTYAAPB-UHFFFAOYSA-N 253.302 -0.146 50 20 CBGD C[C@H](O)CN(C)NC(=O)Cn1cnc2sccc2c1=O 910178277 VNQZCBJAIMXKKA-QMMMGPOBSA-N 296.352 -0.198 50 20 CBGD NC(=O)c1cccc(C(=O)NNc2ncncc2F)n1 1117790619 CKDJRQGCNKRFNB-UHFFFAOYSA-N 276.231 -0.134 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1cncc(O)c1 1118544104 AOZSBMOZQXCXGA-UHFFFAOYSA-N 280.284 -0.998 50 20 CBGD C[C@@H](O)CN(C)NC(=O)Cn1nc2n(c1=O)CCCCC2 1119645486 UNYRQXSWXQZBSB-SNVBAGLBSA-N 297.359 -0.885 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2ccc[n+]([O-])c2)n[nH]1 1253162294 IOWAPHYPLVPEBR-UHFFFAOYSA-N 261.241 -0.574 50 20 CBGD NC(=O)N1CCC[C@@H](C(=O)NNC(=O)C2CCC2)C1 1318404010 QKJLHIXNADVKAD-SECBINFHSA-N 268.317 -0.275 50 20 CBGD C[C@@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CC1 1323496756 JXMUJVXQJYMCPS-APPZFPTMSA-N 274.342 -0.385 50 20 CBGD COc1ccc(C(=O)NNC(=O)Cn2cnnn2)cc1 1324231452 SFFDDUWSYXBDBH-UHFFFAOYSA-N 276.256 -0.857 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC1CCOCC1 1326732598 ILRKALPBOHLVOK-WPRPVWTQSA-N 271.317 -0.079 50 20 CBGD CCn1cc(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)nn1 1327897074 CMGCATQORRYPHS-WCBMZHEXSA-N 296.331 -0.447 50 20 CBGD CN1CC[C@H]1CNC(=O)NNC(=O)C1CCOCC1 1332403639 YYRLLWRODSFHSV-JTQLQIEISA-N 270.333 -0.553 50 20 CBGD O=C(Cn1ncc2ccccc2c1=O)NNc1nc[nH]n1 1347708661 DSUKPHLYHMIJAH-UHFFFAOYSA-N 285.267 -0.342 50 20 CBGD CNC(=S)N(C)NC(=O)c1nc2nccc(C)n2n1 1351033446 RJRBZBHUTHFUBE-UHFFFAOYSA-N 279.329 -0.486 50 20 CBGD CC(C)NC(=O)CCCC(=O)N1CC[C@@H](B(O)O)C1 1351730336 WVEWBQZCBDTMNB-SNVBAGLBSA-N 270.138 -0.243 50 20 CBGD O=C(CO)NNC(=O)Cc1ccccc1C(=O)O 1574531227 CUTRGHLRQVGMSA-UHFFFAOYSA-N 252.226 -0.933 50 20 CBGD C[C@H](N)[C@@H](C)C(=O)NNC(=O)[C@H]1CCN1C1CCOCC1 1576087563 DAEAXYMBZXEFDL-JFGNBEQYSA-N 298.387 -0.630 50 20 CBGD CC1(C)CCCN[C@@H]1C(=O)NNC(=O)[C@@H]1COCCO1 1576439393 FNHFJJKFWABTBP-VHSXEESVSA-N 285.344 -0.673 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@]2(C)CCCNC2)n[nH]1 1579589666 MCHSJZJGZMHAMM-ZDUSSCGKSA-N 279.344 -0.202 50 20 CBGD CC(C)Oc1ccc(CNC(=O)NNC(=O)C(=O)O)cn1 1591775826 XHTOZJPUKAEZMV-UHFFFAOYSA-N 296.283 -0.216 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CC[C@H]1C(=O)O 1594643983 KJJHKMRNLZGODR-UYXSQOIJSA-N 270.285 -0.330 50 20 CBGD O=C(O)CCCCNC(=O)c1ccc(B(O)O)cc1 1595044858 WPDRNZBODAJQCW-UHFFFAOYSA-N 265.074 -0.649 50 20 CBGD CC[C@](COC)(NCC(=O)NNC(=O)C(C)C)C(=O)O 1595195145 POJQVCGVHPBGCH-GFCCVEGCSA-N 289.332 -0.741 50 20 CBGD CN(C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)C(=O)O)C1 1598190286 JVUGTKWAWGZHEV-JGVFFNPUSA-N 272.305 -0.726 50 20 CBGD C[C@@H](CC(=O)O)NC(=O)c1cc(B(O)O)ccc1F 1599833989 ORXYTIJUUFQUBV-LURJTMIESA-N 269.037 -0.902 50 20 CBGD O=C(O)CNC(=O)NNC(=S)NCC(F)(F)F 1602072007 IGJZPUBQBULMDG-UHFFFAOYSA-N 274.224 -0.688 50 20 CBGD CN(C)C(=O)NNC(=O)c1cscc1-c1nn[nH]n1 1604671371 UKFOTKHNEFPKIP-UHFFFAOYSA-N 281.301 -0.156 50 20 CBGD CC(=O)NNC(=O)c1cccc(CN2C(=O)CNC2=O)c1 36832158 MQLBPDGGWQJWDX-UHFFFAOYSA-N 290.279 -0.481 50 20 CBGD C=CCNC(=O)CNC(=O)NNc1ccc(C)nn1 181145294 OPESNEGDNREIQP-UHFFFAOYSA-N 264.289 -0.287 50 20 CBGD CC(C)(NS(C)(=O)=O)C(=O)NNc1ccnc(F)c1 272729454 KNRKTHYFXKLSID-UHFFFAOYSA-N 290.320 -0.008 50 20 CBGD CCNC(=O)N(C)NC(=O)c1nn(CC)nc1C 293546966 SOHPJJIMWNHZBU-UHFFFAOYSA-N 254.294 -0.087 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1ccncc1 299064908 TTXNFQWYNQDUJU-UHFFFAOYSA-N 262.269 -0.535 50 20 CBGD CC(C)OCCC(=O)NNC(=O)C(=O)N1CCCC1 299537111 IFEOKRVPKTUDMV-UHFFFAOYSA-N 271.317 -0.429 50 20 CBGD N#CCC1(O)CN(S(=O)(=O)CBr)C1 306341415 LZDMBVQAOACGNP-UHFFFAOYSA-N 269.120 -0.371 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)CN1CCC(=O)NC1=O 491441618 VKEJPJZJVLVLKT-UHFFFAOYSA-N 286.288 -0.516 50 20 CBGD C[C@@H]1COCCN1C(=O)c1cc(B(O)O)ccc1F 584931562 ZQMXRUJXAQGPPP-MRVPVSSYSA-N 267.065 -0.634 50 20 CBGD CO[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584959794 GMJYQOGZUVPYLZ-VIFPVBQESA-N 267.065 -0.634 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCOCC12CC2 584986855 CUTGEJZBPCQWAH-UHFFFAOYSA-N 261.086 -0.629 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@H](F)C1 584995018 HBFBBABPNVWWLW-QMMMGPOBSA-N 255.029 -0.311 50 20 CBGD CCC1(CO)CN(C(=O)c2cc(B(O)O)ccc2F)C1 585000114 JIVNTUAEZRCOQN-UHFFFAOYSA-N 281.092 -0.650 50 20 CBGD CC[C@@H]1C(=O)N(C)CCN1C(=O)c1cccc(B(O)O)c1 585005198 AUIAHSWHUNNDHE-GFCCVEGCSA-N 290.128 -0.941 50 20 CBGD CC(=O)N1CCC(CNCc2ccc(B(O)O)cc2)CC1 585022386 YISYOOYLHIGMII-UHFFFAOYSA-N 290.172 -0.286 50 20 CBGD C[C@H](NCc1ccccc1B(O)O)C(=O)N1CCCC1 585040090 ZVTGTUBPODYERV-NSHDSACASA-N 276.145 -0.533 50 20 CBGD CO[C@@H]1COCC[C@H]1CNCc1ccc(B(O)O)o1 585042994 HALXHAWGVJUOMO-GXSJLCMTSA-N 269.106 -0.900 50 20 CBGD Cc1cccc(OCC(=O)NNC(=O)C2(C(N)=O)CC2)c1 731597164 ACQNBXQYFOPXML-UHFFFAOYSA-N 291.307 -0.213 50 20 CBGD O=C(NNC(=O)c1cnc[nH]1)c1ccc(-n2cnnn2)cc1 731890485 BKSQDOWGLSQNHQ-UHFFFAOYSA-N 298.266 -0.540 50 20 CBGD C[C@H](CN1CCN(C)CC1)NC(=O)NNC(=O)C1CCC1 732461877 CABNYJRFCIUNPA-LLVKDONJSA-N 297.403 -0.247 50 20 CBGD COCCCNC(=O)NN=C(C)CS(C)(=O)=O 732528770 XZIWFFAERDCHOQ-UHFFFAOYSA-N 265.335 -0.257 50 20 CBGD COC[C@@H](C)CC(=O)NNC(=O)N1CCOCC1 755264667 ZKXJZWXXBUWSAI-VIFPVBQESA-N 259.306 -0.268 50 20 CBGD C[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)N1CCSCC1 755269661 VFBMREKARAVIKJ-VIFPVBQESA-N 297.384 -0.463 50 20 CBGD CSc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1 764421609 PEWJLXXIXOZHBV-UHFFFAOYSA-N 283.309 -0.513 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1cccc2ccsc12 764429635 UGJOZVDOZWJGNM-UHFFFAOYSA-N 293.304 -0.021 50 20 CBGD CN1CCN(C(=O)NN=C2CCS(=O)CC2)CC1 790173841 JBPROKKZKYHYGD-UHFFFAOYSA-N 272.374 -0.158 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H](O)Cc1ccccc1 793445545 CTYAQYGFEXTMQO-LBPRGKRZSA-N 288.307 -0.297 50 20 CBGD COc1ccnc(NNC(=O)[C@H]2CCCC(=O)N2)n1 799555786 FILIPLIOJAXLNY-SSDOTTSWSA-N 265.273 -0.403 50 20 CBGD O=C(O)CCCNC(=O)NNC(=O)c1ccc[nH]1 819443235 UMVGYWNAKVILIW-UHFFFAOYSA-N 254.246 -0.177 50 20 CBGD C[C@@H](O)CN(C)NC(=O)/C=C1\SCC(=O)N1C 823718871 SCDBICNTDQOAGN-GDRUQYFBSA-N 259.331 -0.623 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1ccn(C)n1 843661507 MAYYRVKNDVIZQB-PSASIEDQSA-N 266.301 -0.465 50 20 CBGD COCCN(C)NC(=O)CN1C(=O)NC2(CCCC2)C1=O 848377555 OZZGNLGIGRYQIO-UHFFFAOYSA-N 298.343 -0.540 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)c2cc[nH]n2)CC1 855358668 RNVRMFRGMSDWRO-UHFFFAOYSA-N 266.257 -0.486 50 20 CBGD NS(=O)(=O)C1(C(=O)NNc2ccc(Cl)cn2)CC1 856092579 ZKFYQEFKOTVWSM-UHFFFAOYSA-N 290.732 -0.001 50 20 CBGD CC(C)[C@@H]1C[C@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858534653 DMSUPJIMDAWIGG-XHNCKOQMSA-N 268.317 -0.360 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 858906906 IYCSQJXPQCHSIE-QMMMGPOBSA-N 294.315 -0.925 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN[C@H](C)C(F)(F)F 862314102 VFPOFINNRIIORQ-RFZPGFLSSA-N 277.268 -0.504 50 20 CBGD CO[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 862452029 SADJZGQRGKUDDG-ZYHUDNBSSA-N 291.307 -0.200 50 20 CBGD COc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)ccc1O 862462758 ZZRMFEGLRARQMK-MRVPVSSYSA-N 293.279 -0.560 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cnc1F 862462877 ZSBJYPLLNACPEQ-MRVPVSSYSA-N 280.259 -0.431 50 20 CBGD C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)[C@H]1C 862463411 CLKFJUOJXPQTLS-ZCLKDUABSA-N 283.328 -0.528 50 20 CBGD C#C[C@@H](NC(=O)c1cc(B(O)O)ccc1F)[C@H]1CCCO1 863879196 OKXIRFMHVDYKQM-CHWSQXEVSA-N 291.087 -0.584 50 20 CBGD CC(C)(CCl)CS(=O)(=O)N[C@@]1(C(N)=O)CCOC1 867487517 LZGIHALLKGTSCG-JTQLQIEISA-N 298.792 -0.185 50 20 CBGD O=C(/C=C\CN1CCOCC1)NNC(=O)[C@H]1CCCCO1 868619804 SMAGJZIIDSHBPN-KTLBGCOUSA-N 297.355 -0.409 50 20 CBGD COCCOCC(=O)NNC(=O)Cc1ncccc1F 869906497 MRPSPTZABDKEEB-UHFFFAOYSA-N 285.275 -0.426 50 20 CBGD CC(C)OCCCC(=O)NNC(=O)CN1CCCC1=O 913732350 RSWNPQHXCHFBAZ-UHFFFAOYSA-N 285.344 -0.039 50 20 CBGD O=C(CC[C@H]1NC(=O)NC1=O)NNc1ncncc1Cl 1116711546 RQUZZJHWRUWOBO-ZCFIWIBFSA-N 298.690 -0.439 50 20 CBGD Nc1cnnc(NNC(=O)[C@H]2CNCCO2)c1Cl 1118202248 TZAZNFUQNVWSFI-ZCFIWIBFSA-N 272.696 -0.856 50 20 CBGD CNC(=S)N(C)NC(=O)c1c[nH]c(C)cc1=O 1118770060 HPUDJWSKMZLETR-UHFFFAOYSA-N 254.315 -0.236 50 20 CBGD CN1C(=O)CCC[C@@H]1C(=O)NNc1nccn(C)c1=O 1120063419 BBBJCVSCOZFNFZ-MRVPVSSYSA-N 279.300 -0.766 50 20 CBGD COc1cc(C(=O)N2CC[C@@H](B(O)O)C2)nn1C 1262157088 PMKFRXYRDVIJET-SSDOTTSWSA-N 253.067 -0.882 50 20 CBGD COC(=O)C(=O)NN[C@@H](Cc1ccc(Cl)cc1)C(N)=O 1320177214 IYIHBVMKFMAJDM-VIFPVBQESA-N 299.714 -0.470 50 20 CBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=S)NC(C)C 1328071953 SDKQDLDGTXQYDT-SSDOTTSWSA-N 296.418 -0.782 50 20 CBGD Cn1nncc1NNC(=O)c1ncn(C(C)(C)C)n1 1328570117 LEDBDFGLVAOXMW-UHFFFAOYSA-N 264.293 -0.082 50 20 CBGD Cc1noc(CCC(=O)NNC(=O)c2cn[nH]c2)n1 1331616983 WIGVYEAVXOXXDL-UHFFFAOYSA-N 264.245 -0.505 50 20 CBGD O=C(/C=C/[C@@H]1CCOC1)NNC(=O)CN1CCCC1=O 1332229116 QXHKJHYEJSLYIF-HMDXOVGESA-N 281.312 -0.651 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccnnc1 1341170047 PKOZCNZATCDLGZ-UHFFFAOYSA-N 289.251 -0.739 50 20 CBGD C[C@H](NNC(=O)[C@@H](N)CCC(N)=O)C(F)(F)F 1573579821 WEUOWZKAZIQIJZ-WHFBIAKZSA-N 256.228 -0.849 50 20 CBGD C[C@]1(C(=O)NNC(=O)Cc2ccsc2)C[C@H](O)CN1 1576351094 WBMUFZMJNYPOPW-JOYOIKCWSA-N 283.353 -0.449 50 20 CBGD CCOC(=O)C(C)(C)CC(=O)NNC(=O)CCCN 1577905242 KYMAMKGAECCPOO-UHFFFAOYSA-N 273.333 -0.148 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCCC(=O)O 1589415441 IDQOBCKEZBIXQJ-BDAKNGLRSA-N 287.316 -0.003 50 20 CBGD C[C@@](NC(=O)c1cccc(B(O)O)c1)(C(=O)O)C1CC1 1593175724 YJTNDDHRIFRQTE-ZDUSSCGKSA-N 277.085 -0.651 50 20 CBGD N#CC1=CCN(C(=O)[C@@H]2CCCN(CC(=O)O)C2=O)CC1 1594606553 ZYWFCEGXIUTLIP-NSHDSACASA-N 291.307 -0.008 50 20 CBGD CN(C)c1cccc(C(=O)NNC(=O)CC(=O)O)c1 1598335281 GHWOPUWDKGDXSM-UHFFFAOYSA-N 265.269 -0.012 50 20 CBGD O=C(NCC1CCC(F)CC1)NNC(=O)C(=O)O 1601480106 GLPVBEUEDGXDPL-UHFFFAOYSA-N 261.253 -0.070 50 20 CBGD CC(C)(C)C(=O)NNC(=O)Cn1cnc(C(=O)O)n1 1603301160 SEVTYNREIXAXKY-UHFFFAOYSA-N 269.261 -0.830 50 20 CBGD NC(=O)C(=O)NN=Cc1ccc(C(=O)O)c(O)c1 1776015737 JABYQXDOWFJOGC-UHFFFAOYSA-N 251.198 -0.974 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)NCCN1C(=O)CCC1=O 265052308 TUOCCLLWHYJLKS-UHFFFAOYSA-N 298.343 -0.098 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ccnn2C)CC1 278736989 VPTGDEIQBZOLEE-UHFFFAOYSA-N 266.305 -0.978 50 20 CBGD CN(C(=O)c1ccc(B(O)O)c(F)c1)[C@H]1CCCOC1 584987986 AFCUXBRDJTVPML-JTQLQIEISA-N 281.092 -0.244 50 20 CBGD N#C[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 585006383 UPGJGYWOEHDLPM-QMMMGPOBSA-N 262.049 -0.509 50 20 CBGD Cn1cc(CCCNCc2ccc(B(O)O)cc2)cn1 585020956 MTQZYNOUOUMQPI-UHFFFAOYSA-N 273.145 -0.178 50 20 CBGD CC(C)[C@@H](O)CCNCc1ccc(B(O)O)cc1 585028596 LTRAJTDEIJRCNN-ZDUSSCGKSA-N 251.135 -0.137 50 20 CBGD CC[C@@H](CCO)CNCc1ccc(B(O)O)cc1 585028950 SXCMRNLDQSBXBI-NSHDSACASA-N 251.135 -0.135 50 20 CBGD C[C@H]1CN(CCCNCc2ccc(B(O)O)o2)CCCO1 585037547 BJVSSCACAMLTSW-LBPRGKRZSA-N 296.176 -0.450 50 20 CBGD OC[C@H](CC(F)F)NCc1ccccc1B(O)O 585038160 UWXSAJRZJGHMBO-VIFPVBQESA-N 259.061 -0.528 50 20 CBGD CCO[C@@H]1COC[C@H]1NCc1ccccc1B(O)O 585044662 PQZCZZBYTDPWDA-CHWSQXEVSA-N 265.118 -0.740 50 20 CBGD O=C1CC[C@@H](c2nc(-c3ccc(B(O)O)cc3)no2)CN1 585051254 ZPJJAYXFZCAJMS-SECBINFHSA-N 287.084 -0.590 50 20 CBGD O=S(=O)(Cc1ccc(Cl)cc1)NCB(O)O 585057604 WHVCVTZZRFIYMN-UHFFFAOYSA-N 263.511 -0.229 50 20 CBGD CCOCCO[C@H](C)C(=O)NNC(=O)c1cnn(C)c1 735443930 KRTOZVJCDCRIGU-SECBINFHSA-N 284.316 -0.377 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1Cc2ccccc21 742036748 NSPZWUFRMMSPBS-NSHDSACASA-N 275.308 -0.002 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CN1[C@@H](C)CC[C@H]1C 746102885 AQQTYYJBDVZJGY-AOOOYVTPSA-N 284.360 -0.469 50 20 CBGD O=C(NN=c1cc[nH]cc1)c1cnc2[nH]nnc2c1 756185947 FANZLGUYVWNGHV-UHFFFAOYSA-N 255.241 -0.073 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNc1ncc(F)cn1 760904968 DVFAVTWNQFBMDS-LURJTMIESA-N 255.253 -0.027 50 20 CBGD CO[C@H](C)CC(=O)NNC(=O)CNC(=O)c1cccnc1 764344501 YJVCSYJOINCGIN-SECBINFHSA-N 294.311 -0.616 50 20 CBGD O=C(Cc1cc(O)nc(O)n1)NN=C1CCN2CCC[C@H]12 765580478 JFFOVXSWGVAFQY-SNVBAGLBSA-N 291.311 -0.229 50 20 CBGD COC(=O)C1(C(=O)NNC(=O)Cc2ccncc2)CC1 766532189 VKSAPDVJIMUUOQ-UHFFFAOYSA-N 277.280 -0.275 50 20 CBGD C[C@H](NC(=O)c1ccoc1)C(=O)NN(C)C(N)=O 770439609 NSMUGIOIFRSBRT-LURJTMIESA-N 254.246 -0.560 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(COC)CC1 772240308 JNXBMLWWMLROFN-MRVPVSSYSA-N 272.301 -0.098 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C(C)(C)C(F)F 792026577 YCKHLYNKUYNDAR-UHFFFAOYSA-N 265.260 -0.050 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cn2c(n1)CCCC2 799834470 NWISKQDASBIYEG-UHFFFAOYSA-N 265.317 -0.458 50 20 CBGD CCc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1Cl 806979800 FGILIICIYBEPGW-UHFFFAOYSA-N 299.714 -0.019 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1c[nH]nc1C(C)(C)C 814798731 OUJPFFAPXLWTQO-UHFFFAOYSA-N 295.343 -0.007 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CC2(CC2)C1 814835732 ZWGOEMKIFLPVPQ-ZETCQYMHSA-N 259.331 -0.030 50 20 CBGD CN1CCC[C@]2(CCN(CC(=O)NNC(=O)C3CC3)C2)C1 815147165 YFFDIFZEYIAZFO-HNNXBMFYSA-N 294.399 -0.039 50 20 CBGD C[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CCO1 827268446 OQGQELRXZACZHL-OPRDCNLKSA-N 271.317 -0.127 50 20 CBGD O=C(CO)NNC(=O)C1CN(C(=O)C2CCCCC2)C1 839721810 SYGBDJODXMURMY-UHFFFAOYSA-N 283.328 -0.835 50 20 CBGD CS(=O)(=O)c1ccccc1NNC(=O)[C@H]1CNCCO1 843436630 GBWLFBXFYUXWNO-SNVBAGLBSA-N 299.352 -0.478 50 20 CBGD CCn1cc(CNC(=O)NNC(=O)[C@H]2CCCCO2)nn1 852537295 UXDRSUXPFWKJDX-SNVBAGLBSA-N 296.331 -0.303 50 20 CBGD CCS(=O)(=O)N[C@@H](C)C(=O)NN[C@@H](C)C(F)(F)F 862319913 MNAKIGSVGGUIJC-WDSKDSINSA-N 291.295 -0.114 50 20 CBGD COc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1O 862451071 HWZOBPLRRCWVIH-MRVPVSSYSA-N 293.279 -0.560 50 20 CBGD COC[C@H](C)[C@@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862463172 ZHIXUDHKQLJPPH-YIZRAAEISA-N 271.317 -0.669 50 20 CBGD O=C1CC[C@@H](C(=O)NN=Cc2cnn(CC(F)F)c2)N1 863150139 NTFPWCNYLBHROX-QMMMGPOBSA-N 285.254 -0.123 50 20 CBGD CC[S@@](=O)CCNCc1ccc(B(O)O)cc1 863887989 BXVWQXHJZKMHQZ-QGZVFWFLSA-N 255.148 -0.775 50 20 CBGD O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CC[C@@H](B(O)O)C1 864234826 WRCSDXSXHFIMMF-GHMZBOCLSA-N 294.160 -0.147 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)C[C@@H](COC)OC 882077205 CFDGBCAAVNYGEU-MRVPVSSYSA-N 283.350 -0.857 50 20 CBGD COc1nn(C)cc1C(=O)NNC(=O)NCC(F)(F)F 883969317 GFMBRBWLDUKMGC-UHFFFAOYSA-N 295.221 -0.065 50 20 CBGD CC(=O)CC1(C(=O)NNC(=O)CN2CCCC2=O)CCC1 913732812 JUIWIGNSQUEGMZ-UHFFFAOYSA-N 295.339 -0.094 50 20 CBGD Cc1c[nH]cc1C(=O)NNC(=O)CN1CCCC1=O 920435613 LHCLLODMJQLRIA-UHFFFAOYSA-N 264.285 -0.293 50 20 CBGD Cn1cc(C(=O)NNC(=O)CC(F)(F)F)nn1 1117619415 NAAJKPFHAUJXEE-UHFFFAOYSA-N 251.168 -0.472 50 20 CBGD CN(C)CCn1cc(C(=O)NNc2cccnn2)cn1 1119000687 LCUROSPKXVTFHH-UHFFFAOYSA-N 275.316 -0.008 50 20 CBGD Cn1nncc1NNC(=O)C1(S(C)(=O)=O)CCCC1 1261772720 GZVQLZRLAKIXQC-UHFFFAOYSA-N 287.345 -0.384 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCCC[C@@H]1CO 1261846921 COZICTYGPXOMNT-GFCCVEGCSA-N 263.102 -0.647 50 20 CBGD Cn1ccnc(NNC(=O)[C@]2(C)CCOC2)c1=O 1320434290 HONBOFCTJPLYHA-LLVKDONJSA-N 252.274 -0.350 50 20 CBGD O=C(NNC(=O)[C@@]1(F)CCOC1)c1cccnc1 1323467176 YAGUXIUDDBLVGH-LLVKDONJSA-N 253.233 -0.029 50 20 CBGD CC(C)NC(=S)NNC(=O)C[C@@H]1CCCC(=O)N1 1327650043 LMFLCDPCVLNBCO-QMMMGPOBSA-N 272.374 -0.051 50 20 CBGD O=C(NCCC1(O)CCC1)NNC(=O)c1cn[nH]c1 1328799464 NBWULBKZRIDYSB-UHFFFAOYSA-N 267.289 -0.341 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 1330487235 CQLNFCCHMOWRLW-RNJXMRFFSA-N 285.300 -0.697 50 20 CBGD COCCOCC(=O)NNC(=O)CCc1cn(C)nc1C 1332170859 RYUIUGSAFRFHJW-UHFFFAOYSA-N 298.343 -0.528 50 20 CBGD C[C@H](C(=O)NNC(=O)N=c1cc[nH]cc1)[C@H]1CCC(=O)N1 1335202839 RAWIIGNPTARBTQ-WCBMZHEXSA-N 291.311 -0.429 50 20 CBGD Cc1cnccc1CNC(=O)NNC(=O)C(=O)NC1CC1 1338501826 OXFXPDAYXZDUCP-UHFFFAOYSA-N 291.311 -0.501 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CN2CCN1C[C@@H]2C 1345507142 MJUOLRLFYDOUIJ-UWVGGRQHSA-N 283.401 -0.944 50 20 CBGD CC1(C)C[C@@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 1348110589 LETFHAUHHVHXOJ-IUCAKERBSA-N 298.343 -0.447 50 20 CBGD O=C(NCC[C@@H]1CCCNCC1)c1ccc(B(O)O)cc1 1580676465 USYQPKUPQXVICM-GFCCVEGCSA-N 290.172 -0.124 50 20 CBGD O=C(NNC(=O)c1cccnn1)N[C@@H]1CCNC12CCC2 1580737141 LUBFPHLCTTWALZ-SNVBAGLBSA-N 290.327 -0.295 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CC[C@@H]1C(=O)O 1589415646 KJJHKMRNLZGODR-MAUMQABQSA-N 270.285 -0.330 50 20 CBGD COCc1nc(Cl)cc(NNC(=O)C(=O)O)n1 1594028873 JJMOIJOGCMSWOD-UHFFFAOYSA-N 260.637 -0.196 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CC[C@H]2C(=O)O)cn1 1594530195 DNFITLQYSHVWQR-HTQZYQBOSA-N 266.257 -0.708 50 20 CBGD O=C(O)C(=O)NN=C(CO)c1ccc(F)cc1F 1601637808 KAGBXUPFJJWHSL-UHFFFAOYSA-N 258.180 -0.138 50 20 CBGD C[C@H](NC(=O)NNC(=O)C(=O)O)C1CCOCC1 1609766974 BRODPUJKQZWWKT-LURJTMIESA-N 259.262 -0.784 50 20 CBGD CC/C=C(/C)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 141141441 JKVFXXSICCMJMN-USYJTPIQSA-N 289.357 -0.140 50 20 CBGD CC[C@H](C(=O)NNc1ccc(C(N)=O)nn1)N(C)C 152330120 QGGVCPKMXGUNLI-MRVPVSSYSA-N 266.305 -0.641 50 20 CBGD COc1ncnc(N(C)C)c1NC(=O)NNC(C)=O 273191291 JBMOTJCNCYVJAR-UHFFFAOYSA-N 268.277 -0.276 50 20 CBGD C[C@@H](C(=O)NNC(=O)CN(C)C)n1nnnc1C(C)(C)C 273491828 NKIIWJKNIUTTOV-QMMMGPOBSA-N 297.363 -0.759 50 20 CBGD CC(=O)NNC(=O)[C@@H]1CCCN1C(=O)NC(C)C 274254809 ZHVLHAZCBQTKIQ-VIFPVBQESA-N 256.306 -0.264 50 20 CBGD Cc1cc[nH]c1C(=O)NNC(=O)N1CCN(C)CC1 288055982 SMULJSQUYKPSCR-UHFFFAOYSA-N 265.317 -0.075 50 20 CBGD COCCN(C)NC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O 297212733 WZYQSROKQLGFHK-AWEZNQCLSA-N 297.355 -0.483 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 299381169 NWNLCWMMJIDBSS-CPCISQLKSA-N 286.357 -0.257 50 20 CBGD CC(C)(C)C(=O)NCCC(=O)Nc1cccc(B(O)O)c1 404970805 PAQCNCJAMVNWJD-UHFFFAOYSA-N 292.144 -0.143 50 20 CBGD COC(=O)NCCC(=O)NNc1cc(Cl)nc(N)n1 495266657 UFDAOGZEEXOBDD-UHFFFAOYSA-N 288.695 -0.099 50 20 CBGD COCCCN(C)C(=O)c1ccc(B(O)O)c(F)c1 584935602 RNWLBHNHTQQDAB-UHFFFAOYSA-N 269.081 -0.386 50 20 CBGD COCC1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584943016 AWMBRMGFSHUQIJ-UHFFFAOYSA-N 277.129 -0.135 50 20 CBGD COC[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584945035 FHWQZNKDZIHKRV-NSHDSACASA-N 277.129 -0.135 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@H]1CO 584980783 KKTXUFHNEPMDFT-SCZZXKLOSA-N 281.092 -0.794 50 20 CBGD OB(O)c1ccccc1CNCCOC[C@@H]1CCOC1 585020313 RZEGKUSJHIIYFA-GFCCVEGCSA-N 279.145 -0.491 50 20 CBGD CC1(NC(=O)CNCc2ccc(B(O)O)o2)CCCCC1 585026559 PCWSTMCKEWVQPZ-UHFFFAOYSA-N 294.160 -0.112 50 20 CBGD CSC[C@H](CCO)NCc1ccc(B(O)O)cc1 585030083 WENVQHHKRDTGOR-LBPRGKRZSA-N 269.175 -0.430 50 20 CBGD C[C@@H](CCS(C)(=O)=O)NCc1ccccc1B(O)O 585030832 JUBVQIKPNUOLKR-JTQLQIEISA-N 285.174 -0.721 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCO[C@@H]2C2CC2)o1 585032490 VQRLERSALHBEBE-CMPLNLGQSA-N 251.091 -0.384 50 20 CBGD CO[C@@H]1CCC[C@H]1CNCc1ccc(B(O)O)o1 585034209 KDQKIXOKKVNCIA-GXSJLCMTSA-N 253.107 -0.136 50 20 CBGD CC[C@H](C)C[C@H](CO)NCc1ccc(B(O)O)o1 585048472 QCFXVPWKYDMXRZ-VHSXEESVSA-N 255.123 -0.154 50 20 CBGD CO[C@H](C)Cc1nc(-c2ccc(B(O)O)cc2)no1 585051134 VCOFCLCNSIBNKK-MRVPVSSYSA-N 262.074 -0.006 50 20 CBGD O=[N+]([O-])c1ccc(S(=O)(=O)NCB(O)O)c(Cl)c1 585055011 WTBLNIAGENOKAY-UHFFFAOYSA-N 294.481 -0.462 50 20 CBGD Cc1nn(C)c2sc(C(=O)NCB(O)O)cc12 585061308 VROJRCYGYFHGPJ-UHFFFAOYSA-N 253.092 -0.315 50 20 CBGD NC(=O)CNC(=S)NNC(=O)Cc1ccccc1F 731320836 AXGBMOHLCJBGJO-UHFFFAOYSA-N 284.316 -0.651 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)NC(C)C 732063899 NDSHYKHXEPOLDI-JTQLQIEISA-N 252.318 -0.177 50 20 CBGD CS(=O)(=O)CCCNC(=O)NNC(=O)C1CCCC1 732891759 RHQVWUZLTFGCMM-UHFFFAOYSA-N 291.373 -0.058 50 20 CBGD O=C(NNC(=O)C1=COCC1)C(=O)N1CCCC1 734125862 TVQYINBOUVYEGS-UHFFFAOYSA-N 253.258 -0.940 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cc(C(N)=O)cs2)cn1 735470622 DZCDVFWCRXVABF-UHFFFAOYSA-N 293.308 -0.345 50 20 CBGD COC(=O)[C@@H](C)CN(C)CC(=O)NNC(=O)C(C)(C)C 744402801 KHPWVPBUWLJVPY-VIFPVBQESA-N 287.360 -0.079 50 20 CBGD CC(=O)N[C@H](C(=O)NNC(=O)N1CCOCC1)C(C)C 745996086 LZZQUZOGKLTRBV-JTQLQIEISA-N 286.332 -0.780 50 20 CBGD C[C@@H](CCS(C)(=O)=O)NC(=O)NNc1cccnn1 762094219 KQDBYBAWFJHFLH-QMMMGPOBSA-N 287.345 -0.074 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@]1(OC)CCOC1 764807646 DPHCXQUOARGFJH-LLVKDONJSA-N 275.305 -0.841 50 20 CBGD COc1cccc(C[C@@H](O)C(=O)NN(C)C(N)=O)c1 785419270 AWFDKJMCZZRACB-SNVBAGLBSA-N 267.285 -0.360 50 20 CBGD CNc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cn1 795872058 GNDYWJRGMHHPGA-UHFFFAOYSA-N 291.311 -0.493 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@](C)(C(N)=O)C1 796580820 LPLGHWNIHIQYFK-YGRLFVJLSA-N 298.387 -0.234 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)C[C@@H](C)OC 799799691 UFAQNEWCJMWASD-SSDOTTSWSA-N 253.324 -0.483 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C(=O)c1cccn1C 805651730 GQDATIZWSLGANL-MRVPVSSYSA-N 295.295 -0.303 50 20 CBGD O=C(CNC(=O)c1cccs1)NN=C1COC1 814827160 XDSHIYABWJSPLN-UHFFFAOYSA-N 253.283 -0.020 50 20 CBGD O=C(NNC(=O)c1cccc(C(=O)O)c1)C(=O)NC1CC1 821451867 NHWKBVGUIJAXOW-UHFFFAOYSA-N 291.263 -0.576 50 20 CBGD COC(=O)Cc1occc1C(=O)NN(C)[C@H](C)CO 823927562 APZQPNHEMRBTRM-MRVPVSSYSA-N 270.285 -0.048 50 20 CBGD Cc1ccn(C[C@](C)(O)C(=O)NN(C)[C@@H](C)CO)c(=O)c1 823928465 NMHMNTDGRCBYJS-FZMZJTMJSA-N 297.355 -0.748 50 20 CBGD CCc1nocc1C(=O)NNC(=O)Cc1cc[nH]n1 826666340 DOMHHELSMHLNFC-UHFFFAOYSA-N 263.257 -0.036 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 843660786 MBDYCXABLLIIBJ-ULAWRXDQSA-N 257.246 -0.776 50 20 CBGD Cc1nc(O)[nH]c1C(=O)NNC(=O)[C@@H]1CCCCO1 848157822 LZIFHSYNQSARHC-ZETCQYMHSA-N 268.273 -0.246 50 20 CBGD CNC[C@@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1 851682559 UXIRAGQANUYAOE-RKDXNWHRSA-N 258.322 -0.506 50 20 CBGD COC(=O)N(C)NC(=O)[C@H]1CCCc2nn[nH]c21 854409051 GFSSCCKMQORAGG-LURJTMIESA-N 253.262 -0.046 50 20 CBGD CNC(=S)N(C)NC(=O)COC[C@H]1CCCO1 854924178 QUWHVQGRZFKXGU-MRVPVSSYSA-N 261.347 -0.351 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1nc2ncccn2n1 855007279 UPDRBXCOTLZRGP-JGVFFNPUSA-N 290.283 -0.690 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@H]1CCNC1=O)C1CC1 855095623 NGYKWSVPBRWLKD-XPUUQOCRSA-N 270.358 -0.584 50 20 CBGD CN(C)CC(=O)NNC(=O)C1(S(C)(=O)=O)CCCC1 857104999 CFFFEGAXZWTOEY-UHFFFAOYSA-N 291.373 -0.947 50 20 CBGD C#C[C@H](NC(=O)NNC(=O)c1cn[nH]c1)[C@@H]1CCCO1 858369840 KDXXZFMARLWVJU-UWVGGRQHSA-N 277.284 -0.466 50 20 CBGD CC1(C)CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 858693084 FLMHRQNNPBWZFN-QMMMGPOBSA-N 284.316 -0.883 50 20 CBGD C=C(C)CN(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858697103 QAWLVQHLJXJOIZ-QMMMGPOBSA-N 254.290 -0.486 50 20 CBGD C=CC(=O)N(C)CC(=O)NNC(=O)c1ccc(C)o1 859955818 UYMNSGIEOSJHHU-UHFFFAOYSA-N 265.269 -0.007 50 20 CBGD CCCSCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862452467 LLCLBFUQWDMHAA-SSDOTTSWSA-N 259.331 -0.444 50 20 CBGD CCc1cncc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862459330 QXEAGKIHIGTYNF-SNVBAGLBSA-N 276.296 -0.316 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1C#N 862459871 BJNKHJUNPKAJLB-NSHDSACASA-N 286.291 -0.094 50 20 CBGD CC[C@](C)(OC)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862460110 ZYZXWBNCHFKROR-HQJQHLMTSA-N 257.290 -0.773 50 20 CBGD COCCCNC(=S)N(C)NC(=O)Cc1nc[nH]n1 864591004 ROYPQRWAUOXKGP-UHFFFAOYSA-N 286.361 -0.779 50 20 CBGD CCn1ncc(C(=O)NNC(=O)N2CCN(C)CC2)c1C 868122208 QYPXCCQFNQOLGW-UHFFFAOYSA-N 294.359 -0.187 50 20 CBGD COCCOCC(=O)NNC(=O)c1csnc1C 869907258 GFNWSLXRAKPQBL-UHFFFAOYSA-N 273.314 -0.124 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1[C@H]2CCC[C@H]21 869910594 VIKYOYPYEGMZEX-JZYVYDRUSA-N 256.302 -0.157 50 20 CBGD OB(O)c1ccccc1CN[C@@H]1CCN(CC2CC2)C1 877024603 IZXHHBMLCRZFCI-CQSZACIVSA-N 274.173 -0.060 50 20 CBGD O=C(NNS(=O)(=O)N1CCCCC1)C1CCOCC1 882805352 BKQCLLLAOLMIBS-UHFFFAOYSA-N 291.373 -0.236 50 20 CBGD CN1C(=O)CN(C(=O)[C@@]2(C)C[C@H]2Br)CC1=O 908054890 KFCHYKDJSPWVFD-LDWIPMOCSA-N 289.129 -0.013 50 20 CBGD O=C(Cc1ccc(O)cc1)NNC(=O)C(=O)NC1CC1 1116263812 FUHGEXCUOLFXIG-UHFFFAOYSA-N 277.280 -0.639 50 20 CBGD Cc1cncc(C(=O)NNC(=O)C(=O)NC2CC2)c1 1252222140 LOCVEJPGSDHHLU-UHFFFAOYSA-N 262.269 -0.570 50 20 CBGD O=C(CCO)NNC(=O)C(=O)Nc1ccc(Cl)cn1 1256009654 JFBRBFNFVZFFCE-UHFFFAOYSA-N 286.675 -0.797 50 20 CBGD O=C(NN=Cc1cccnc1)N[C@@H]1CCS(=O)(=O)C1 1317976384 YUQWVCPZJCFUDS-SNVBAGLBSA-N 282.325 -0.098 50 20 CBGD CN(C)CC(=O)NNC(=O)c1nnc(O)c2ccccc12 1318390077 DQJPTGBMPLAFCQ-UHFFFAOYSA-N 289.295 -0.342 50 20 CBGD Cc1cnn(CC(=O)NNc2nnc(C)c(O)n2)c1 1319041115 JBUJFMHXDSOYBC-UHFFFAOYSA-N 263.261 -0.466 50 20 CBGD COc1nccnc1NNC(=O)c1cc[n+]([O-])cc1 1320241537 DQCBBYXGOIEKGY-UHFFFAOYSA-N 261.241 -0.125 50 20 CBGD CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)OC)cc1 1320379455 UNVDPDYOVCMQQC-UHFFFAOYSA-N 294.267 -0.628 50 20 CBGD C#CCn1ccnc1C=NNC(=O)[C@H]1CCS(=O)(=O)C1 1324051609 RXXRYYCBEUATNK-JTQLQIEISA-N 294.336 -0.599 50 20 CBGD CCOC(=O)c1cc(C=NNC(=O)C(=O)OC)[nH]n1 1326203577 HBURNUWNUNWAFC-UHFFFAOYSA-N 268.229 -0.791 50 20 CBGD CCNC(=O)NNC(=O)c1cn(CC2(CC)COC2)nn1 1328186752 UNBJSWUTEWORQR-UHFFFAOYSA-N 296.331 -0.331 50 20 CBGD Cn1cc(C(=O)NNC(=O)N[C@H]2CC23CCNCC3)cn1 1328250019 JIASVTNYGMHKIV-JTQLQIEISA-N 292.343 -0.494 50 20 CBGD O=C(NCC(=O)N1CC[C@H](B(O)O)C1)OCC(F)(F)F 1329290993 ALIBYVKHNWJRAQ-LURJTMIESA-N 298.026 -0.650 50 20 CBGD CC(C)[C@@]1(CO)CCN(C(=O)c2ccc(B(O)O)cc2)C1 1330575088 DEDURKXZTDJYDT-HNNXBMFYSA-N 291.156 -0.153 50 20 CBGD CCN1CC[C@H](NC(=O)NNC(=O)C2CCOCC2)C1=O 1331286394 AWGDWPUSQREWAL-JTQLQIEISA-N 298.343 -0.636 50 20 CBGD CN(C[C@H]1CCOC1)C(=O)NNC(=O)c1cn[nH]c1 1331313060 QXVPBEVPOOTWQB-MRVPVSSYSA-N 267.289 -0.268 50 20 CBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)CCO1 1332482428 LTZPMWBPHDPHHP-CBAPKCEASA-N 267.289 -0.079 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cn(C)c2c(cnn2C)c1=O 1332629646 WMHFUOZDCUVRQH-MRVPVSSYSA-N 293.327 -0.771 50 20 CBGD COCCCNC(=O)NNC(=O)c1cnc(C)n1C 1333994473 JUQZLLBMQYUNOZ-UHFFFAOYSA-N 269.305 -0.291 50 20 CBGD COc1cc(C(=O)N2CC[C@H](B(O)O)C2)sn1 1334807376 YTXHNKSVNZEXTO-LURJTMIESA-N 256.092 -0.159 50 20 CBGD Cc1nn(C)c(=O)c(C(=O)NN=c2cc[nH]cc2)c1C 1337483393 QXXBGLIAHBUTQH-UHFFFAOYSA-N 273.296 -0.029 50 20 CBGD COCC(=O)NCCC(=O)NNc1ncncc1F 1343996592 FKSYFKDMZQCYFO-UHFFFAOYSA-N 271.252 -0.789 50 20 CBGD Cc1cc(NC(=O)C(=O)NNC(=O)CN(C)C)sn1 1344442163 FMIWKNQKAZXESI-UHFFFAOYSA-N 285.329 -0.901 50 20 CBGD C[C@H]1C[C@H](C(=O)NNC(=O)CN2CCCC2=O)CCC1=O 1354111921 VHBUCIMPQNKRIF-VHSXEESVSA-N 295.339 -0.239 50 20 CBGD O=C(NNc1cccnn1)c1ccc(-c2nn[nH]n2)cn1 1446658359 CQZIIKKEYLWPNY-UHFFFAOYSA-N 283.255 -0.191 50 20 CBGD CN1CCC(=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)C1=O 1549319309 HDSVALMGPDYUBG-MWLCHTKSSA-N 280.328 -0.816 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCCCNC 1577069801 UYMWVVNSIDZVFN-UHFFFAOYSA-N 286.376 -0.172 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)O 1590939879 BPHNJYCFVSUMTH-HOSYDEDBSA-N 297.355 -0.025 50 20 CBGD CC(C)Oc1ncccc1CNC(=O)NNC(=O)C(=O)O 1591814941 VDQFLEODMZHENJ-UHFFFAOYSA-N 296.283 -0.216 50 20 CBGD C[C@H]1Cc2cc(CNC(=O)NNC(=O)C(=O)O)ccc2O1 1594614630 BINBAVPQTQFITA-ZETCQYMHSA-N 293.279 -0.075 50 20 CBGD Cc1nnc([C@H](C)NC(=O)NNC(=O)C(=O)O)s1 1600793326 XSIUFSYSTQRCMO-VKHMYHEASA-N 273.274 -0.677 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCC[C@@H]1C(=O)O 1602959514 WQVNANKQXNHJAI-MRVPVSSYSA-N 257.290 -0.661 50 20 CBGD CC(C)OC(=O)NNS(=O)(=O)CCC(=O)O 1603907094 AJCMWXXSGYUBBC-UHFFFAOYSA-N 254.264 -0.570 50 20 CBGD CNC(=O)NNC(=O)CCNC(=O)OC(C)(C)C 48949651 ICHARWVMGPVSEV-UHFFFAOYSA-N 260.294 -0.139 50 20 CBGD Cc1cc(NNC(=O)[C@@H]2COCCO2)nc(C)n1 172375690 ROACFNTWUXTVNI-VIFPVBQESA-N 252.274 -0.048 50 20 CBGD Cc1cc(NNC(=O)[C@H]2COCCO2)nc(C)n1 172375695 ROACFNTWUXTVNI-SECBINFHSA-N 252.274 -0.048 50 20 CBGD Cc1noc(-c2ccc(C(=O)NNC(=O)CO)cc2)n1 182764837 OOZVZQIAWIBOSP-UHFFFAOYSA-N 276.252 -0.202 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2CN(C)CCO2)n1 279785052 JLSMXCQJRWXXPN-NSHDSACASA-N 278.312 -0.518 50 20 CBGD CCNC(=O)N(C)NC(=O)COCc1ccnn1C 285909004 VUBGQERQVRJUKL-UHFFFAOYSA-N 269.305 -0.371 50 20 CBGD C#CCO[C@@H](C)C(=O)NNc1nccnc1OC 294858612 BWADBUUQYDMITN-QMMMGPOBSA-N 250.258 -0.033 50 20 CBGD CN(CC(=O)NNC(=O)c1cccs1)C1CC(N)C1 385052717 SVTPZFBEPUCYDI-UHFFFAOYSA-N 282.369 -0.069 50 20 CBGD CCOC(=O)N[C@H](C(=O)NN(C)C(N)=O)C(C)C 494539107 LHLAMDLFGPIBGR-ZETCQYMHSA-N 260.294 -0.201 50 20 CBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CO 494540884 WJKFGQKFUDPVTB-UHFFFAOYSA-N 261.278 -0.959 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1[C@H]2CC[C@H]1CC(O)C2 584950316 XWYDAUBGNCEQJX-UWVGGRQHSA-N 293.103 -0.367 50 20 CBGD C[C@H](CCO)CNC(=O)c1ccc(B(O)O)cc1 584961142 ZKJQTGZXEPMTTD-SECBINFHSA-N 251.091 -0.885 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@H](CF)C1 585002152 OIOFBASDCDXTNM-LLVKDONJSA-N 267.065 -0.823 50 20 CBGD C[C@@H](C[S@@](C)=O)NCc1ccccc1B(O)O 585033719 ARVOGRMPRGNOJL-HUTHGQBESA-N 255.148 -0.777 50 20 CBGD OB(O)c1ccc(-c2noc([C@@H]3[C@H]4COC[C@H]43)n2)cc1 585051742 MBAWZPZRFILGGL-URLYPYJESA-N 272.069 -0.224 50 20 CBGD O=C(NCB(O)O)c1ccc(OCC(F)(F)F)nc1 585061148 QPNZZKMCTSJYCR-UHFFFAOYSA-N 277.995 -0.236 50 20 CBGD O=C(NCB(O)O)c1cnn2c(Br)cccc12 585062512 JYZUCKICOWHGFW-UHFFFAOYSA-N 297.905 -0.161 50 20 CBGD C[C@@H]1CN(CCNC(=O)NNc2ncccn2)CCO1 726258989 YPKMFUFUUHDCHA-SNVBAGLBSA-N 280.332 -0.177 50 20 CBGD COCCNC(=S)NNC(=O)Cc1cccnc1 728800100 YGELNTFJNISOSN-UHFFFAOYSA-N 268.342 -0.234 50 20 CBGD COc1ccnc(NNC(=O)C2(C(N)=O)CC2)n1 729261925 GZTBOLOAGUFPGO-UHFFFAOYSA-N 251.246 -0.806 50 20 CBGD Cn1cc(C(=O)NNC(=O)C2(C)CCOCC2)cn1 735446204 DFQSRNRBAOXPGH-UHFFFAOYSA-N 266.301 -0.002 50 20 CBGD COc1ccc(NC(=O)NNC(=S)NCC(N)=O)cc1 741854194 DRAWXWJRHIEHIN-UHFFFAOYSA-N 297.340 -0.319 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCC(CO)CC1 744388880 YMEIHFDVUGCSLH-UHFFFAOYSA-N 271.361 -0.116 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 746171785 YDPKALZDHMLRII-SNVBAGLBSA-N 299.375 -0.863 50 20 CBGD O=C(CO)NNC(=O)c1cnc(-c2cccnc2)s1 753439346 MCYPPZIXKLMOSL-UHFFFAOYSA-N 278.293 -0.042 50 20 CBGD CN1CC(=O)N(CC(=O)NN=c2cc[nH]cc2Cl)C1=O 768451066 IOPQLUOUQKNFJA-UHFFFAOYSA-N 297.702 -0.506 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)c1ccccn1 771603718 NKWYFSSMIOTQRX-SECBINFHSA-N 262.269 -0.537 50 20 CBGD CC(=NNC(=O)CO)c1cccc(S(=O)(=O)N(C)C)c1 776779685 JHUSYSMJPOEZQP-UHFFFAOYSA-N 299.352 -0.231 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@H](n2cncn2)C1 776879974 XAQARGTWKUENED-JTQLQIEISA-N 294.359 -0.282 50 20 CBGD N#Cc1ccc(C(=O)NNc2ccc(C(N)=O)nn2)cc1O 785415149 FTWMGDHNZDKMIK-UHFFFAOYSA-N 298.262 -0.090 50 20 CBGD Cc1cc(C(=O)NNC(=O)N2CCN(C)CC2)nn1C 788167177 XUIWERBSIGJDMB-UHFFFAOYSA-N 280.332 -0.670 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=S)NC1(C)CC1 789177351 HGTGVHXCRAJWCU-UHFFFAOYSA-N 258.347 -0.441 50 20 CBGD C=C[C@H](NNC(=O)[C@@H](C)OCCOC)C(=O)OC 799978498 IAPLOBCJZXTDAD-BDAKNGLRSA-N 260.290 -0.614 50 20 CBGD CN1CCCC[C@@H](C(=O)NNC(=O)[C@@H]2CCCCO2)C1=O 823237118 MSWNFYOLOQBELF-QWRGUYRKSA-N 297.355 -0.039 50 20 CBGD CN1C(=O)CC[C@H](NC(=O)NNC(=O)C2CCC2)C1=O 823906288 XURSWUADPOYDNX-QMMMGPOBSA-N 282.300 -0.736 50 20 CBGD CCCNC(=O)CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 825558563 MZLPSYVCWJRCLY-IUCAKERBSA-N 286.332 -0.732 50 20 CBGD CNC(=O)C[C@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@H]1C 826922821 GEVWSJAJTUTBHC-CIUDSAMLSA-N 286.332 -0.734 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)CC(=O)O 832990641 IFONMJRZFGBYIP-RXMQYKEDSA-N 254.246 -0.410 50 20 CBGD CS(=O)(=O)N1CC[C@@H](NC(=O)NNc2ccccn2)C1 845415582 WGKWUOOVAFTWRM-SECBINFHSA-N 299.356 -0.258 50 20 CBGD Cc1nccnc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 855005932 KLRKLHSDQNVFHX-BDAKNGLRSA-N 264.285 -0.029 50 20 CBGD C[C@@H](NC(=S)NNC(=O)C(=O)NCC1CC1)C1CC1 855100040 SZEBBNSDAGYAAW-SSDOTTSWSA-N 284.385 -0.194 50 20 CBGD CCOC[C@@H]1CN([C@H](C)C(=O)NNC(=O)CC)CCO1 859772904 VAOXBEOAUIABJC-MNOVXSKESA-N 287.360 -0.330 50 20 CBGD COC(=O)C[C@@H](C)CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862459729 AKHKZNYHYZMKFR-JGVFFNPUSA-N 285.300 -0.998 50 20 CBGD COC(=O)c1coc(C=NNC(=O)[C@@H]2CCC(=O)N2)c1 863148289 YSJBENMBOHWMLO-VIFPVBQESA-N 279.252 -0.205 50 20 CBGD COCCn1cc(C(=O)NNC(=O)C2CC2)cn1 864443718 HHHUPVHEJAKGTF-UHFFFAOYSA-N 252.274 -0.300 50 20 CBGD COC(=O)N1CC(NS(=O)(=O)CCCCl)C1 882003313 GLRCOSDUBRUGRK-UHFFFAOYSA-N 270.738 -0.015 50 20 CBGD CCCNC(=O)NNC(=O)c1cn(C)nc1OC 883958837 IWICBIICFGGBRN-UHFFFAOYSA-N 255.278 -0.217 50 20 CBGD C[C@]1(C(=O)NC[C@@H](O)C(N)=O)C[C@@H]1Br 907780933 JJTBWBOOGFVUHX-FOHZUACHSA-N 265.107 -0.878 50 20 CBGD C=CC(C)(C)CC(=O)NNC(=O)CS(C)(=O)=O 913240930 KTGNZGWBIUWLNE-UHFFFAOYSA-N 262.331 -0.219 50 20 CBGD COC[C@H](C)[C@H](C)C(=O)NNC(=O)CN1CCCC1=O 913732560 ATGHHRYABFGOIP-UWVGGRQHSA-N 285.344 -0.325 50 20 CBGD COC(=O)C[C@@H](C)C(=O)NNc1nnc(C)c(O)n1 1116262589 XPVGJTBYOGOHAK-RXMQYKEDSA-N 269.261 -0.472 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)NCC2CC2)n[nH]1 1116751707 TTZOHHGHCXQNIM-UHFFFAOYSA-N 265.273 -0.995 50 20 CBGD COCCOCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1117677588 JFZQABPNFPYVAW-JTQLQIEISA-N 294.373 -0.858 50 20 CBGD C[C@H](NC(=O)NNC(=O)c1cn[nH]c1)[C@@H]1CN(C)CCO1 1118805628 GGXBVUUDEISLRY-WPRPVWTQSA-N 296.331 -0.927 50 20 CBGD O=C(CCOCC(F)F)N1CC[C@H](B(O)O)C1 1118975377 NOBXTNIZECKTHS-ZETCQYMHSA-N 251.038 -0.267 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H]1CN2CCN1C[C@H]2C 1123607373 PPBIXKDMBHGEHN-ZJUUUORDSA-N 269.349 -0.885 50 20 CBGD CN1CCC[C@@H]1CNC(=O)NNC(=O)C1CCNCC1 1261818325 TXKZUJRZONXPEW-LLVKDONJSA-N 283.376 -0.589 50 20 CBGD O=C(c1cncc(-n2ccnn2)c1)N1CC[C@H](B(O)O)C1 1261843340 CYUUZWXXFKFQFW-JTQLQIEISA-N 287.088 -0.649 50 20 CBGD Cc1nn(C)cc1CCC(=O)NNC(=O)C(=O)NC1CC1 1318515198 XHFXYOJNIYCFIC-UHFFFAOYSA-N 293.327 -0.913 50 20 CBGD Cc1nnc2n1C[C@@H](C(=O)NNC(=O)C(C)C)CC2 1320040470 VGWKNWMAPHVZPL-VIFPVBQESA-N 265.317 -0.048 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccnc(-n2cncn2)c1 1320652069 GVRKCBIFYUQCMQ-UHFFFAOYSA-N 290.283 -0.806 50 20 CBGD CN(CC(=O)NNc1cccnn1)[C@@H]1CCS(=O)(=O)C1 1321149783 WHGUQUYQANTUGH-SECBINFHSA-N 299.356 -0.961 50 20 CBGD CCOC(=O)NCC(=O)NNC(=S)NC(C)C 1321192688 CBQXWNPLVVVRMR-UHFFFAOYSA-N 262.335 -0.364 50 20 CBGD COCCCNC(=S)N(C)NC(=O)c1ccc(O)nn1 1321718918 YKAZNIAFFHXYCG-UHFFFAOYSA-N 299.356 -0.330 50 20 CBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1=CCCCO1 1323391607 SJIXHNBSIPRSHH-MRVPVSSYSA-N 288.325 -0.737 50 20 CBGD Cc1c(C(=O)NN=c2cc[nH]cc2)nnn1-c1ccn(C)n1 1326468023 TZLFLNYQQNWBPK-UHFFFAOYSA-N 298.310 -0.117 50 20 CBGD C[C@H](C(=O)NNC(=O)c1ccncc1)[C@H]1CCC(=O)N1 1328688700 DGGABGORWFYGOI-WCBMZHEXSA-N 276.296 -0.243 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)n1cc(CCN(C)C)nn1 1331227981 OCHSTZDKWHLKFC-SECBINFHSA-N 282.348 -0.499 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@H]2CC[C@@H]2C(N)=O)cc1 1334619068 ITGGDRIRFKBUKU-QWRGUYRKSA-N 291.307 -0.032 50 20 CBGD COCn1ccc(C(=O)NNC(=O)C2CCOCC2)n1 1335106833 KOMSLUCQVZQOPW-UHFFFAOYSA-N 282.300 -0.325 50 20 CBGD Cc1nn(C)cc1S(=O)(=O)NNC(=O)N(C)C 1346862667 LAOGMABTKOKDDN-UHFFFAOYSA-N 261.307 -0.807 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CC[C@H]2C(N)=O)c(O)c1 1347929828 CABBBVJXBRZGHJ-BDAKNGLRSA-N 291.307 -0.027 50 20 CBGD O=C(NNC(=O)N1CCSCC1)c1cccnn1 1353043740 LFSBTHGEVZEXQN-UHFFFAOYSA-N 267.314 -0.120 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1NCc2n[nH]cc21 1575721964 DAKVYKQFBUTWRH-MRVPVSSYSA-N 268.346 -0.542 50 20 CBGD O=C(O)C[C@@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 1594984604 OGOUBTNVJOORDW-LBPRGKRZSA-N 291.112 -0.164 50 20 CBGD O=C(O)CSCC(=O)NNC(=O)[C@H]1CCCO1 1595126803 LPDREMQTKUCOTN-ZCFIWIBFSA-N 262.287 -0.869 50 20 CBGD COC(=O)NNS(=O)(=O)c1ccccc1C(=O)O 1598884049 GFIWQEIPMVWOMI-UHFFFAOYSA-N 274.254 -0.066 50 20 CBGD O=C(O)c1ccc(NNC(=O)[C@H]2CCS(=O)(=O)C2)nc1 1602385001 ONDOTAVZGLLCKQ-QMMMGPOBSA-N 299.308 -0.342 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CCNC(=O)[C@@H]1CC(=O)O 1605618085 FGEQDQZDOXUCHC-FUOZMLNRSA-N 281.268 -0.768 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)N[C@]2(C(=O)O)C[C@H](O)C2)cn1 1608109394 JOMMVFYCDRLCEA-BDRRFSOZSA-N 290.279 -0.579 50 20 CBGD O=C(O)CNC(=O)CCN1C[C@H]2[C@H](Br)[C@H]2C1 1608752150 JXGIUJBNNVROBQ-MTBHXBHISA-N 291.145 -0.098 50 20 CBGD CCN(CC(=O)O)CC(=O)NNC(=O)c1ccccc1 38018212 SSZPDURIKRCONT-UHFFFAOYSA-N 279.296 -0.146 50 20 CBGD CNC(=O)NNC(=O)/C=C\c1ccccc1-c1nnn[nH]1 95315501 USAFJRICQXYAOS-SREVYHEPSA-N 287.283 -0.160 50 20 CBGD CC1(C)CN(S(=O)(=O)CCl)C[C@@H](CO)O1 158714490 GMVYCZOXBUBTBZ-ZETCQYMHSA-N 257.739 -0.016 50 20 CBGD COCCN(CCO)CC(=O)NNC(=O)c1ccccc1 165476459 SWNZJYHYUAYJIY-UHFFFAOYSA-N 295.339 -0.612 50 20 CBGD CN(NC(=O)CNC(=O)c1cccs1)C(N)=O 179696353 BOEJEOSVBOSFGH-UHFFFAOYSA-N 256.287 -0.480 50 20 CBGD CN1CCN(C(=O)NNC(=O)CCCC#N)CC1 293341589 OUFCEFLFNJOKMW-UHFFFAOYSA-N 253.306 -0.332 50 20 CBGD C=CCSCCNC(=O)NNC(=O)C(=O)NC1CC1 299325458 OAYZCZZXRFYVIU-UHFFFAOYSA-N 286.357 -0.485 50 20 CBGD CCOCCO[C@@H](C)C(=O)Nc1cccc(B(O)O)c1 584911275 UGODQTQWTDDCOA-JTQLQIEISA-N 281.117 -0.254 50 20 CBGD CN(C)CCCCNC(=O)c1cc(B(O)O)ccc1F 584945588 IWQWQXFWHHSBLH-UHFFFAOYSA-N 282.124 -0.423 50 20 CBGD C[C@H]1COC[C@@H](C)N1C(=O)c1ccc(B(O)O)c(F)c1 584949584 IALOIKZVNADTIM-DTORHVGOSA-N 281.092 -0.245 50 20 CBGD C[C@@]1(CO)CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 584965473 PBKBOPJXUVBAJM-CQSZACIVSA-N 295.119 -0.260 50 20 CBGD C[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)[C@@H]1CO 584979621 ZPWGSDRAAAAAEO-PRHODGIISA-N 281.092 -0.652 50 20 CBGD O=C(NCCN1CC=CCC1)c1cccc(B(O)O)c1 584986215 WTEPBRLSBLKAED-UHFFFAOYSA-N 274.129 -0.642 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@H](F)C1 585004619 JDBGTSLGBVYUCV-LLVKDONJSA-N 251.066 -0.060 50 20 CBGD C[C@H]1CCCCN1C(=O)CCNCc1ccc(B(O)O)o1 585020783 IWUPQQPECIRYBJ-NSHDSACASA-N 294.160 -0.160 50 20 CBGD CCc1nc(CCNCc2ccc(B(O)O)cc2F)no1 585022635 UEMOENJXPPBBOE-UHFFFAOYSA-N 293.107 -0.217 50 20 CBGD Cc1noc(CCCNCc2ccc(B(O)O)cc2)n1 585024039 PQDCKOWSZYHNMD-UHFFFAOYSA-N 275.117 -0.220 50 20 CBGD C[C@H](O)C[C@H](C)NCc1ccc(B(O)O)cc1F 585034772 LUHDXEKOUDNDOH-IUCAKERBSA-N 255.098 -0.246 50 20 CBGD CCNC(=O)NNS(=O)(=O)N1CCCCC1 742028489 OJBWUYLSAFJAIU-UHFFFAOYSA-N 250.324 -0.459 50 20 CBGD N=C1NC(=O)[C@@H](CC(=O)NNC(=O)C2CC2)S1 742471531 DISRTMYCLQBKET-RXMQYKEDSA-N 256.287 -0.900 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)NC1CCCC1 746173107 FUEDFWHMWBDQDD-ZETCQYMHSA-N 292.361 -0.803 50 20 CBGD NC(=O)c1cccc(C=NNC(=O)CN2CCCC2=O)c1 755586439 IMDLROROXMPZHQ-UHFFFAOYSA-N 288.307 -0.142 50 20 CBGD COc1cc(F)c(NC(=O)NNC(=O)CO)cc1OC 756457392 QIOCIIZAIQBXRF-UHFFFAOYSA-N 287.247 -0.012 50 20 CBGD Cc1cccc(NC(=O)C(=O)NNC(=O)CO)c1 764421672 QBKLUVLVKGENLS-UHFFFAOYSA-N 251.242 -0.927 50 20 CBGD CS(=O)(=O)N1CCC[C@H]1C(=O)NNc1ccccn1 777471597 ROPSQOIDLDOPPB-VIFPVBQESA-N 284.341 -0.051 50 20 CBGD COC(=O)CNC(=O)NN=Cc1ccc(C(=O)OC)[nH]1 779822845 HKJBFWBBDILCGL-UHFFFAOYSA-N 282.256 -0.393 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cccc(C#N)n2)CC1 811420986 QWTZAAOWYAVTHC-UHFFFAOYSA-N 288.311 -0.445 50 20 CBGD Cc1nnsc1C=NNC(=O)C(=O)N1CCCC1 814218960 HVQJYBIXBVTYDD-UHFFFAOYSA-N 267.314 -0.081 50 20 CBGD O=C(NNC(=O)[C@@H]1CCNC1=O)NC1CCCC1 824342289 GOHPSBHMMZYSRV-MRVPVSSYSA-N 254.290 -0.605 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H](C)CC(=O)O)n[nH]1 832864652 QHZWCEWOQUKBKC-YFKPBYRVSA-N 254.246 -0.410 50 20 CBGD Cc1ccccc1CC(=O)NNC(=O)NC1CNC1 841949991 IRXFWFFRNNVIJY-UHFFFAOYSA-N 262.313 -0.160 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(O)nc1 843641170 RZGZCPPGCNSUTD-APPZFPTMSA-N 265.269 -0.027 50 20 CBGD CC(C)C[C@H](C(N)=O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843967152 NJJHWMVZQMQFJA-IVZWLZJFSA-N 285.344 -0.294 50 20 CBGD CNC[C@H](C)NC(=O)NNC(=O)Cn1nc(C)cc1C 851680661 KAJZTWPEGVTSFA-VIFPVBQESA-N 282.348 -0.562 50 20 CBGD Cn1ncc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1N 853390672 IFDLMGFKLBAMCC-MNOVXSKESA-N 292.343 -0.684 50 20 CBGD CC(=O)N[C@@H](CCC(C)C)C(=O)NNC(=O)CN(C)C 857105608 NVYUHZPOTYUOGR-NSHDSACASA-N 286.376 -0.364 50 20 CBGD COC1(CNC(=O)NNC(=O)c2cn[nH]c2)CCC1 858353187 GFCURYMLARBCDK-UHFFFAOYSA-N 267.289 -0.077 50 20 CBGD CCC[C@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 858698331 ZBRGFKRFMLHZDF-VHSXEESVSA-N 298.343 -0.493 50 20 CBGD CNS(=O)(=O)CC(=O)NN[C@H](C)C(F)(F)F 862311368 NCOLHSGTVAESBO-SCSAIBSYSA-N 263.241 -0.893 50 20 CBGD COCC(C)(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862457207 DDMBQDPGJDXNNW-SSDOTTSWSA-N 257.290 -0.915 50 20 CBGD CC(C)c1nnc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 862461234 JETWIIAMKIWYMC-ZCFIWIBFSA-N 297.340 -0.299 50 20 CBGD COC(=O)[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 863871902 GFFYWPVIHYYCIF-NSHDSACASA-N 291.112 -0.608 50 20 CBGD Cc1cc(NNC(=O)CN2CC(=O)N(C)C2=O)nc(C)n1 863882281 XELRZXWSSQAPSI-UHFFFAOYSA-N 292.299 -0.569 50 20 CBGD C#CCSCC(=O)NNC(=O)C(=O)NC(CC)CC 900807279 BTDCQEJRHOZNLI-UHFFFAOYSA-N 285.369 -0.195 50 20 CBGD Cn1cc(C(=O)NNC(=O)CC(F)(F)F)n(C)c1=O 911420286 RGDHCHDXEPEZHQ-UHFFFAOYSA-N 280.206 -0.563 50 20 CBGD COc1ccc(C(=O)NNC(=O)CNC(C)=O)cc1OC 913415639 BSVXGDALWIQDCE-UHFFFAOYSA-N 295.295 -0.399 50 20 CBGD NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 918553980 LEEWUBJFUMFLPF-UHFFFAOYSA-N 281.293 -0.403 50 20 CBGD CC(=O)N1CC[C@@H](NC(=O)NNC(=O)C2CCC2)C1 1118751561 HVXOIGKONGDMAJ-SNVBAGLBSA-N 268.317 -0.262 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CCSC2)N1 1118970044 MAMVKRWAMCJEGU-RNFRBKRXSA-N 257.315 -0.835 50 20 CBGD C[C@H](Sc1nncn1C)C(=O)NN(C)[C@H](C)CO 1119103862 FTAMUGFGWMPRTM-SFYZADRCSA-N 273.362 -0.361 50 20 CBGD CCNC(=O)N(C)NC(=O)c1c(CO)noc1C 1261549010 ISFKXRLYJCBRND-UHFFFAOYSA-N 256.262 -0.219 50 20 CBGD CN(C)C(=O)CNC(=S)NNC(=O)c1ccccn1 1317946461 XBWGVSOVOHRRGU-UHFFFAOYSA-N 281.341 -0.721 50 20 CBGD C[C@@H](C(=O)NNC(=O)CC(F)(F)F)S(C)(=O)=O 1317948291 BOMKVTIOSDIMTE-BYPYZUCNSA-N 276.236 -0.481 50 20 CBGD CN(C)c1cc(C(=O)NNC(=O)C(=O)NC2CC2)ccn1 1318501993 FAKUBAAPPHMMAU-UHFFFAOYSA-N 291.311 -0.813 50 20 CBGD NC(=O)COc1ccc(C=NNC(=O)CCO)cc1 1319073020 KLBOPUYAACRDDT-UHFFFAOYSA-N 265.269 -0.617 50 20 CBGD COC(=O)C(=O)NN=Cc1cn(-c2ccccc2)nn1 1320193618 GOGMMTKHMCNEGW-UHFFFAOYSA-N 273.252 -0.110 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)CO[C@H]2CCOC2)n1 1320208189 GEIVOUIWCWZRRR-LURJTMIESA-N 287.707 -0.039 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)OC 1320347352 OXKRYCUXRNELFM-UHFFFAOYSA-N 296.283 -0.394 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)[C@]3(F)CCOC3)nc21 1323636861 OXWORZMHJYIHSR-NSHDSACASA-N 296.262 -0.359 50 20 CBGD COC(=O)C(=O)NN[C@@H](Cc1ccc(F)cc1)C(N)=O 1323716255 WWQUVQNHGZXNOL-VIFPVBQESA-N 283.259 -0.984 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ncccc1N(C)C 1324256865 GAAIGMGCLVANBX-UHFFFAOYSA-N 295.299 -0.849 50 20 CBGD CCn1ncc(Cl)c1C(=O)NNC(=O)C(=O)NC1CC1 1328556023 DOVWCHIUOKXWFN-UHFFFAOYSA-N 299.718 -0.404 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCNC2=O)cc1 1330704031 LQIIMQXHMRMQDG-JTQLQIEISA-N 277.280 -0.408 50 20 CBGD NC(=O)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2 1330862684 QJPMYGULPLIIJC-UHFFFAOYSA-N 266.213 -0.947 50 20 CBGD C[C@H]1COC[C@H]1NC(=O)NNC(=O)c1cnn(C)c1 1343830135 VHJJMPIVIAPVSL-IONNQARKSA-N 267.289 -0.601 50 20 CBGD CCC[C@@H](C(=O)NNC(=S)NC(C)C)S(N)(=O)=O 1347282095 LRNDPCQPSWSUSR-ZETCQYMHSA-N 296.418 -0.653 50 20 CBGD CC[C@@]1(C(=O)NNC(=O)c2ccc(=O)n(C)c2)CCCN1 1577198793 WMAQPPLHVMOWNW-AWEZNQCLSA-N 292.339 -0.322 50 20 CBGD CC(CCC(=O)O)=NNC(=O)[C@H]1CCS(=O)(=O)C1 1592470479 LGTNKHJGJYWIPB-QMMMGPOBSA-N 276.314 -0.222 50 20 CBGD CNC(=O)NNC(=O)c1cccc(OCC(=O)O)c1 1593792890 FQULAHWZVHZNTA-UHFFFAOYSA-N 267.241 -0.276 50 20 CBGD Cc1cc(CC(=O)NNC(=O)C23CC(C(=O)O)(C2)C3)n[nH]1 1600187257 SSHGMNISLJJBBY-UHFFFAOYSA-N 292.295 -0.337 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(C(=O)O)nc1 1603068661 VPGFLHVMWGQYCY-UHFFFAOYSA-N 294.267 -0.935 50 20 CBGD COC[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)O 1606804486 AKKGJLZZJFILMA-BNFOFFDWSA-N 278.268 -0.457 50 20 CBGD O=C(O)[C@H]1CCCCCN1C(=O)c1ccc(B(O)O)cc1 1608627002 HKRNVXJFAZYXRB-GFCCVEGCSA-N 291.112 -0.164 50 20 CBGD O=C(NN[C@H]1CCS(=O)(=O)C1)Nc1ccccn1 49027443 JTGYHOKFXXOVLI-QMMMGPOBSA-N 270.314 -0.105 50 20 CBGD COCCCNC(=O)NNC(=O)c1csnn1 49167364 OZFLTDUOJOLIRB-UHFFFAOYSA-N 259.291 -0.481 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H](CCCC)NC(N)=O 68542542 CUSASDPUMNXOHY-MRVPVSSYSA-N 287.389 -0.105 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)c2nc(=O)[nH][nH]2)c1 103525114 MHZHNGGJUREKCD-UHFFFAOYSA-N 272.224 -0.956 50 20 CBGD O=C(Cn1cnnn1)NNC(=O)NCCc1cccs1 123016904 OFOQFKNXRKIXMD-UHFFFAOYSA-N 295.328 -0.692 50 20 CBGD CN(C)CC(=O)NNC(=O)c1c[nH]c(=O)c2ccccc12 190507689 KGFKEEVQCKEODP-UHFFFAOYSA-N 288.307 -0.149 50 20 CBGD COc1cccc(C=NNC(=O)C(N)=O)c1OC 245265341 GEZJXEZMLVILEJ-UHFFFAOYSA-N 251.242 -0.361 50 20 CBGD COC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)[C@@H]1CCCO1 292083462 GAMQKPUQEOUGSU-HLTSFMKQSA-N 270.285 -0.488 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)Cc2cnn(C)c2)O1 294253935 ODUXPVFZUHHSFM-WPRPVWTQSA-N 266.301 -0.323 50 20 CBGD Cc1ccn(CC(=O)NNC(=O)[C@H]2CCCCO2)c(=O)c1 295603618 QCKKHKKYFXSSPR-LLVKDONJSA-N 293.323 -0.127 50 20 CBGD Cc1nnc([C@@H](C)NC(=O)c2ccc(B(O)O)cc2)o1 584958225 NBMRBIPJOHGFSM-SSDOTTSWSA-N 275.073 -0.451 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@H](O)C2(CC2)C1 584977156 NEOZJOXMIWGVRZ-NSHDSACASA-N 279.076 -0.898 50 20 CBGD O=C(NC1(CCO)CCOCC1)c1cccc(B(O)O)c1 585005892 GKWWTJVATYIBKQ-UHFFFAOYSA-N 293.128 -0.972 50 20 CBGD CC(C)C(=O)N1CC[C@@H](NCc2cccc(B(O)O)c2)C1 585031042 OUCVTIYYUPSVSK-CQSZACIVSA-N 290.172 -0.287 50 20 CBGD CCCC(=O)N1CCCC[C@H]1C(=O)NCB(O)O 585059283 HOHBXRZNZFDTAE-VIFPVBQESA-N 256.111 -0.704 50 20 CBGD C[C@H](C(=O)NNC(=O)c1ccc[nH]1)N1CCN(C)CC1 725879382 RMPPOXVUIAPMMP-SNVBAGLBSA-N 279.344 -0.588 50 20 CBGD O=C(NNc1nc(-c2ccncc2)no1)[C@@H]1COCCO1 728072428 JRPZKVGAYXMWMP-VIFPVBQESA-N 291.267 -0.010 50 20 CBGD COC(=O)CCCNC(=S)NNC(=O)N(C)C 745728902 ABMCVEBYCNEXDE-UHFFFAOYSA-N 262.335 -0.410 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1cn(C(C)C)cn1 753965351 RLHIWVADMATQRX-UHFFFAOYSA-N 275.334 -0.024 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](C)C1CC1 758045026 BACYNIAXHFETJX-RQJHMYQMSA-N 277.346 -0.882 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(O)(COC)CC1 759317199 VPBCAUCCMSIUCD-SNVBAGLBSA-N 287.360 -0.594 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCSC1 761834634 CBGJMLCILPIIFI-ZETCQYMHSA-N 259.331 -0.589 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN(C)C(=O)[C@H]1C 778259123 AXDJVEXPCWKGHP-GHMZBOCLSA-N 298.387 -0.269 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CCOCC(F)F 790213748 BARDNJICTVFCSP-UHFFFAOYSA-N 281.259 -0.670 50 20 CBGD Cc1ccn(C[C@](C)(O)C(=O)NNC(=O)N(C)C)c(=O)c1 791128354 XPXPHDVFKWVGLA-ZDUSSCGKSA-N 296.327 -0.790 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CCn1cnccc1=O 794231140 LSKWXDZNKDFKGE-UHFFFAOYSA-N 266.301 -0.173 50 20 CBGD CCCNC(=O)NNS(=O)(=O)c1c(C)cnn1C 795301746 JKHIDEVIWUVHQS-UHFFFAOYSA-N 275.334 -0.369 50 20 CBGD Cn1nnc(CNC(=O)NNc2ncccc2F)n1 805387818 BRSUENZPNIYOPD-UHFFFAOYSA-N 266.240 -0.430 50 20 CBGD O=C(NNC(=S)NC1CCC1)C(=O)N1CCCC1 814196674 IXGLIDMKDZQXIU-UHFFFAOYSA-N 270.358 -0.343 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cn(C)nc1O 814216175 AQZQGFMQZIQYLU-JTQLQIEISA-N 295.343 -0.456 50 20 CBGD O=C(NNc1nc[nH]n1)c1cc([N+](=O)[O-])cnc1O 816633601 HQDBKEPUXPOMCB-UHFFFAOYSA-N 265.189 -0.430 50 20 CBGD CC[C@@H](CS(=O)(=O)NNC(=O)N1CCOCC1)OC 817351099 QUEGCLMHEZPUPS-VIFPVBQESA-N 295.361 -0.712 50 20 CBGD CON(C)C(=O)CNC(=O)NNC(=O)c1ccccc1C 817790814 LROPZVWGLWQSQB-UHFFFAOYSA-N 294.311 -0.041 50 20 CBGD C#C[C@@H](CCC)NC(=O)NNC(=O)C(=O)N1CCCC1 820635436 KWNIBZGWHWLJBZ-JTQLQIEISA-N 280.328 -0.259 50 20 CBGD Cc1nn(C)cc1C1=NO[C@@H](C(=O)NN(C)C[C@@H](C)O)C1 822555863 BTVSYCRKDAYJJL-PRHODGIISA-N 295.343 -0.435 50 20 CBGD CCN(CCO)NC(=O)c1cccc(-n2cnnn2)c1 823834067 QRDNOKYXELTGLC-UHFFFAOYSA-N 276.300 -0.379 50 20 CBGD O=S(=O)(CCl)NC[C@@H](O)CN1CCCCC1 830605930 WVCLMBMEBIJEGQ-SECBINFHSA-N 270.782 -0.051 50 20 CBGD COc1cccc(NNC(=O)[C@@H]2CC(=O)NC(=O)N2)n1 831877199 XUERAXVHBFSZFA-LURJTMIESA-N 279.256 -0.869 50 20 CBGD CCNC(=O)N(C)NC(=O)C1(COC)CCNCC1 831945132 NTNFODVSEPLRMM-UHFFFAOYSA-N 272.349 -0.305 50 20 CBGD CNC(=O)NNC(=O)C1CN(C(=O)C2CCCCC2)C1 836467975 PLUSKBLWZAEQNN-UHFFFAOYSA-N 282.344 -0.015 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)NC[C@@H](N)C(C)C)n1 841943625 LQXHLTCKWVKTRI-LLVKDONJSA-N 296.375 -0.186 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnn1C 843648019 OXDDWSFAOZOUMN-SFYZADRCSA-N 252.274 -0.394 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1ccn(C)n1 843661509 MAYYRVKNDVIZQB-WCBMZHEXSA-N 266.301 -0.465 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CCC1 843973789 LSOHIANLCHVLFL-DTWKUNHWSA-N 283.328 -0.525 50 20 CBGD CCONC(=O)CNC(=O)NNC(=O)CC(C)(C)C 845546880 FSNPVCYLTQWTJO-UHFFFAOYSA-N 274.321 -0.179 50 20 CBGD O=C(NNc1nc2ccccc2[nH]1)[C@H]1CCS(=O)(=O)N1 846636626 NIJSBOFBFXNUSR-SECBINFHSA-N 295.324 -0.302 50 20 CBGD Cn1cc(C(=O)NCCCSC#N)c(=O)n(C)c1=O 854362444 OBOMWLBKKIDBOI-UHFFFAOYSA-N 282.325 -0.582 50 20 CBGD CSC(C)(C)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858262765 DMBIAQRSQAFLQR-ZETCQYMHSA-N 288.373 -0.263 50 20 CBGD COc1ccnc(NNC(=O)[C@@H](C)[C@@H]2CCC(=O)N2)n1 858404551 VJJURMXOFRRLKL-YUMQZZPRSA-N 279.300 -0.157 50 20 CBGD CO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858516090 DSOSHEFJYPIPKH-HRDYMLBCSA-N 284.316 -0.837 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cn3c(n2)CCCC3)N1 862458383 DYNRROAZMPBKAD-QMMMGPOBSA-N 291.311 -0.741 50 20 CBGD C#CCCCCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862459954 BZVCKWIPNBPNTR-SNVBAGLBSA-N 265.313 -0.004 50 20 CBGD OB(O)c1ccc(CNc2cccc(-n3cnnn3)c2)cc1 864025319 DXZOCXQXEDGUNJ-UHFFFAOYSA-N 295.111 -0.046 50 20 CBGD COC(=O)N(C)NS(=O)(=O)CC1(N(C)C)CC1 867256647 ZMTMEOLGOGFLRW-UHFFFAOYSA-N 265.335 -0.387 50 20 CBGD COCCOCC(=O)NNC(=O)CCC1(O)CCC1 869905240 LMVHNEKHAXWWMP-UHFFFAOYSA-N 274.317 -0.508 50 20 CBGD CCCn1cc(C(=O)NNC(=O)COCCOC)cn1 869907331 IXBVWQYGMUPDSU-UHFFFAOYSA-N 284.316 -0.283 50 20 CBGD COCCOCC(=O)NNC(=O)C(F)(F)C(F)F 869910230 PTNLXHNJOYTGIN-UHFFFAOYSA-N 276.186 -0.303 50 20 CBGD COCCOCC(=O)NN=C1C[C@@H](C)n2ncnc21 872400590 VNWWUJBOTKNNTF-MRVPVSSYSA-N 267.289 -0.274 50 20 CBGD CC(C)C(=O)NNC(=O)CN1[C@H](C)C(=O)N(C)[C@@H](C)[C@H]1C 878752976 URPHMBLKDFLSKQ-HBNTYKKESA-N 298.387 -0.271 50 20 CBGD Cn1cc(C[C@H](CO)NS(=O)(=O)CCCCl)cn1 882270137 DFNDKHHTSMIMBH-SNVBAGLBSA-N 295.792 -0.128 50 20 CBGD CO[C@@H](C(=O)NN(C)C[C@H](C)O)c1cnn(C)c1 910150388 QTHQSDUKAIXDFA-WCBMZHEXSA-N 256.306 -0.549 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CC12CCC2 913731838 YMIGLAONWNXCQW-VIFPVBQESA-N 265.313 -0.054 50 20 CBGD CC[C@@H](CO)NCC(=O)NNC(=O)c1ccccc1 916571279 CPKIHWYQNNSVRM-NSHDSACASA-N 265.313 -0.192 50 20 CBGD O=C(CCOc1ccccc1)NNC(=O)NCC#CCO 923783657 IQTLYZLYUXJODT-UHFFFAOYSA-N 291.307 -0.218 50 20 CBGD CCNC(=O)N(C)NC(=O)CCCCC(=O)NC 1116702370 URUNEJPTVUYKNY-UHFFFAOYSA-N 258.322 -0.015 50 20 CBGD Cc1cc(C)n2ncc(C(=O)NNC(=O)C(C)(C)O)c2n1 1116746203 NJHYOLJWIVJNFU-UHFFFAOYSA-N 291.311 -0.122 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@@H]1CCOC1 1119046141 ZFHDBFYRKNGDLD-VIFPVBQESA-N 260.290 -0.777 50 20 CBGD O=C(CCN1C(=O)CCC1=O)NNc1ccncn1 1261776980 NJEYMUXUNBLEBY-UHFFFAOYSA-N 263.257 -0.541 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CCC(=O)C[C@@H]1C 1261881122 XKGGKMANTUUSOT-ONGXEEELSA-N 286.328 -0.198 50 20 CBGD COCC(=O)NNc1ccccc1S(N)(=O)=O 1320949185 NZZKXXQEPUDEAN-UHFFFAOYSA-N 259.287 -0.577 50 20 CBGD Cn1ccnc(NNC(=O)CN2CCCCC2=O)c1=O 1322296586 LGSPGNLSOKGNKT-UHFFFAOYSA-N 279.300 -0.764 50 20 CBGD CCc1nnc(CNC(=O)NNC(=O)C(=O)OC)s1 1324035994 NJHVFJAWRZERCU-UHFFFAOYSA-N 287.301 -0.896 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cc(C2CC2)n(C)n1 1324170533 GFQXJLBYRBFKPP-UHFFFAOYSA-N 295.299 -0.970 50 20 CBGD C=CCOCCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1327538021 NNNGFUJANZPTNK-VHSXEESVSA-N 271.317 -0.056 50 20 CBGD C[C@@H](O)CN(C)NC(=O)COCc1ccncc1 1332149352 PJGUTHUAGMHYSC-SNVBAGLBSA-N 253.302 -0.058 50 20 CBGD COCCOCC(=O)NN=Cc1snnc1C 1332319513 RROZUMDWKIIPCC-UHFFFAOYSA-N 258.303 -0.040 50 20 CBGD Cn1nncc1C(=O)NNC(=O)CC(F)(F)F 1339844531 WAFVWCKETDCHAG-UHFFFAOYSA-N 251.168 -0.472 50 20 CBGD CCc1ocnc1C(=O)NNC(=O)CS(C)(=O)=O 1348435572 HZEYUCMICDWGAA-UHFFFAOYSA-N 275.286 -0.957 50 20 CBGD CC(=O)N[C@@H](CC(=O)N1CC=C(C#N)CC1)C(N)=O 1545861833 RLELZCPLFYKLCA-JTQLQIEISA-N 264.285 -0.951 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@]2(C(=O)O)C[C@H]2C)n[nH]1 1594281079 NIIWTZQEVQRMPQ-GCXOYZPQSA-N 266.257 -0.410 50 20 CBGD Cn1ccnc(NNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)c1=O 1594551470 GJNNQFQPXSPSSO-SFYZADRCSA-N 280.284 -0.276 50 20 CBGD CC[C@H](NNC(=O)c1ccc(=O)n(C)c1)C(=O)O 1595305457 IPZQGFRVWXGNQB-QMMMGPOBSA-N 253.258 -0.517 50 20 CBGD COC[C@@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)O 1606804494 AKKGJLZZJFILMA-OTVCUZDGSA-N 278.268 -0.457 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccc(CC(=O)O)cc1 1610191389 YUGPBTWFSCNWIJ-UHFFFAOYSA-N 295.251 -0.361 50 20 CBGD N#CCC(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1842621323 YCVQSKXBYSPMJS-SECBINFHSA-N 285.731 -0.297 50 20 CBGD Cn1ccc(NC(=O)NNC(=O)c2cnccn2)n1 10357462 PLPGLVLGHHMQSH-UHFFFAOYSA-N 261.245 -0.323 50 20 CBGD CCCNC(=O)NNC(=O)CCSc1nnnn1C 49278952 ARRNDBUBLWXVCM-UHFFFAOYSA-N 287.349 -0.567 50 20 CBGD O=C(NNC(=O)C1CC1)c1cccc(-n2cnnn2)c1 72532982 ZXYSCDSTRTTXTH-UHFFFAOYSA-N 272.268 -0.167 50 20 CBGD C[C@H]1CCC[C@H]1NC(=O)NNC(=O)C(=O)NC1CC1 105311953 VAUUIRDFPJXSLZ-IONNQARKSA-N 268.317 -0.216 50 20 CBGD C[C@H](Oc1cccnc1)C(=O)NNC(=O)CN(C)C 117972615 NRQNGCRWFDSITJ-VIFPVBQESA-N 266.301 -0.442 50 20 CBGD Cc1cc(C)cc(NC(=O)C(=O)NNC(=O)CN(C)C)c1 126454880 KMSHHQGBGPREAA-UHFFFAOYSA-N 292.339 -0.049 50 20 CBGD COc1nccnc1NNC(=O)Cn1ccccc1=O 131954692 KAJYRZFKYOYSGB-UHFFFAOYSA-N 275.268 -0.210 50 20 CBGD CCCNC(=O)NNC(=O)Cn1cc(C2CC2)nn1 133511899 QZYNODWIEBPOJC-UHFFFAOYSA-N 266.305 -0.104 50 20 CBGD COC(=O)N1CC(NC(=O)NNC(=O)c2ccc[nH]2)C1 269276959 JKKNMUQEIRKQLC-UHFFFAOYSA-N 281.272 -0.591 50 20 CBGD CC(C)(C)C(=O)NNC(=O)Cn1cc([N+](=O)[O-])cn1 298805910 LRGPJLPBETZNBG-UHFFFAOYSA-N 269.261 -0.015 50 20 CBGD CCNC(=O)NCCNS(=O)(=O)CBr 308587683 SWNYENAWYWXCOC-UHFFFAOYSA-N 288.167 -0.423 50 20 CBGD COCCN(CCOC)C(=O)c1cc(B(O)O)ccc1F 584923423 HVWQGJYJQLTERZ-UHFFFAOYSA-N 299.107 -0.760 50 20 CBGD CN1CCCN(C(=O)c2cccc(B(O)O)c2)CC1 584924967 NYYKHHFLEOCJAA-UHFFFAOYSA-N 262.118 -0.856 50 20 CBGD C[C@]1(CNC(=O)c2ccc(B(O)O)c(F)c2)CCOC1 584946500 TYZAREMUEVCRMG-CYBMUJFWSA-N 281.092 -0.338 50 20 CBGD O=C(NC[C@H](O)C(F)(F)F)c1cc(B(O)O)ccc1F 584960439 LHBBMAHGAOVBHJ-QMMMGPOBSA-N 294.997 -0.842 50 20 CBGD CN1CCC[C@H]1CCNC(=O)c1cccc(B(O)O)c1 585006755 HNSHIIOYIXHAQV-ZDUSSCGKSA-N 276.145 -0.420 50 20 CBGD C[C@H](NCc1ccccc1B(O)O)[C@H](C)n1cncn1 585019554 CRFLRZONQFGMTA-QWRGUYRKSA-N 274.133 -0.303 50 20 CBGD OC[C@H](CNCc1ccc(B(O)O)cc1)Cc1ccco1 585028076 CZVXVDRLEADWSM-ZDUSSCGKSA-N 289.140 -0.100 50 20 CBGD O=C(/C=C/c1ccccc1[N+](=O)[O-])NCB(O)O 585057199 PBVMFUQUTKSJGH-AATRIKPKSA-N 250.019 -0.264 50 20 CBGD C[C@@H](OC[C@H]1CCCO1)C(=O)NNC(=O)Cc1cc[nH]n1 730091841 ZBLYAHXGYPSEFF-MWLCHTKSSA-N 296.327 -0.316 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)N2CCOCC2)C1 732913079 SXYFMZSHYSRQKL-SECBINFHSA-N 256.306 -0.989 50 20 CBGD COCCOC1CCN(CC(=O)NNC(=O)C2CC2)CC1 735077659 DHYISOTYAIKHFQ-UHFFFAOYSA-N 299.371 -0.329 50 20 CBGD CS(=O)(=O)N1CCCC[C@@H]1C(=O)NNc1cccnn1 736702050 VPISGXWHLRVZDK-SECBINFHSA-N 299.356 -0.266 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCCN1C 740850911 FKVAURNKZMNWEZ-SNVBAGLBSA-N 284.360 -0.467 50 20 CBGD CC(C)(CNC(=O)NNc1cccnn1)S(C)(=O)=O 748970833 OYXKCVIMURVKAO-UHFFFAOYSA-N 287.345 -0.074 50 20 CBGD CS/C=C/C(=O)NNC(=O)C(=O)N1CCCC1 751571927 MZSBPWVEKYHSQZ-QPJJXVBHSA-N 257.315 -0.367 50 20 CBGD O=C(NNC(=O)c1cnc2[nH]nnc2c1)c1ccncc1 754820514 IMLATDATPARUQV-UHFFFAOYSA-N 283.251 -0.177 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)Nc1nccn(C)c1=O 757906099 IWUUBUXTZMOEDN-UHFFFAOYSA-N 291.271 -0.722 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNc1ncc(F)cn1 762093206 RXWSXUQAAGYIRE-SSDOTTSWSA-N 270.268 -0.104 50 20 CBGD CC(C)C(=O)NNC(=O)c1ccc(S(N)(=O)=O)nc1 762737422 KXTFZXCWUZBSGI-UHFFFAOYSA-N 286.313 -0.854 50 20 CBGD C=CCOc1cccnc1C(=O)NNC(=O)CN(C)C 775607997 RTPPJOZBKNRWCB-UHFFFAOYSA-N 278.312 -0.031 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccnn1C 775752939 XCOCSNXMPRGBIG-UHFFFAOYSA-N 263.261 -0.082 50 20 CBGD CCC(=O)N1CCC[C@@H](C(=O)NN(C)C(N)=O)C1 778415506 YPSGYOLOUBPCDN-MRVPVSSYSA-N 256.306 -0.323 50 20 CBGD CNC(=O)CCCCC(=O)NNC(=O)c1cc(C)[nH]n1 779822094 DTRDQQXFHDDZIQ-UHFFFAOYSA-N 281.316 -0.214 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)N(CC)C[C@@H](C)C#N 800112042 YOFFLUMGGBDTBI-VIFPVBQESA-N 291.377 -0.121 50 20 CBGD Cn1nncc1NC(=O)NNC(=O)Cc1ccncc1 809908844 GULZPNHGOOIGNT-UHFFFAOYSA-N 275.272 -0.395 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2nnc3ccccc3n2)cn1 810417334 HCBPPNRVGSCRAW-UHFFFAOYSA-N 297.278 -0.167 50 20 CBGD CC(=O)NNC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 814700596 YLCSEYXCWILMKI-DTORHVGOSA-N 265.269 -0.895 50 20 CBGD O=C(CNC(=O)c1cccc(F)c1)NNc1nc[nH]n1 816632783 YMAOQBNFOFEGAN-UHFFFAOYSA-N 278.247 -0.183 50 20 CBGD CN(C)S(=O)(=O)NCC(=O)NNc1ccccc1 816840383 MLJSPZHMTBUHSE-UHFFFAOYSA-N 272.330 -0.474 50 20 CBGD CC(C)[C@@H](C(=O)NN(C)[C@@H](C)CO)N1CCCC1=O 823965491 NPDDRPFADKGBHI-JQWIXIFHSA-N 271.361 -0.023 50 20 CBGD O=C(CN1CCOC1=O)NNC(=O)OCC(F)(F)F 824619580 KYDVDAOKFFUVFK-UHFFFAOYSA-N 285.178 -0.242 50 20 CBGD C[C@H](C(=O)NNC(=O)c1cccc(F)n1)N(C)C 824752235 CSUHHHZVRWCCPF-SSDOTTSWSA-N 254.265 -0.068 50 20 CBGD Cc1nonc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843651075 KKVUZVMPGBOSMZ-RQJHMYQMSA-N 254.246 -0.436 50 20 CBGD COCCCNC(=S)N(C)NC(=O)C(C)(C)C(N)=O 854284347 FYYGHZFLARHLGW-UHFFFAOYSA-N 290.389 -0.628 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](O)C1CC1 854388174 AGCNFJVTFZXSQX-VIFPVBQESA-N 274.317 -0.306 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)c1cn[nH]c1)N(C)C1CC1 858284219 YNWJVQKFHYXVRL-QMMMGPOBSA-N 280.332 -0.164 50 20 CBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNc2ncc(F)cc2F)O1 861939601 DLGJXDVKGQOGQJ-JGVFFNPUSA-N 286.238 -0.164 50 20 CBGD CNc1snc(C)c1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862450477 UTKACYFKHRVDPR-LURJTMIESA-N 297.340 -0.467 50 20 CBGD COc1ccnc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862456256 WPGHBSXOJHQJIX-MRVPVSSYSA-N 278.268 -0.870 50 20 CBGD O=Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cs1 862456814 UDZNMXHBSCDYEY-QMMMGPOBSA-N 281.293 -0.400 50 20 CBGD CC1=NO[C@@H](CNC(=O)c2cc(B(O)O)ccc2F)C1 863883979 UQLQQFWCMWBCLU-SECBINFHSA-N 280.064 -0.600 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)N(C)C 873751142 NQJSLEDKRNEXBN-SKDRFNHKSA-N 293.323 -0.076 50 20 CBGD COC(=O)N(C)NC(=O)NC[C@H]1CCOC[C@@H]1OC 875635754 GGDBEZRQIKTFFX-BDAKNGLRSA-N 275.305 -0.050 50 20 CBGD C#CCCCC(=O)NNC(=O)CN(C)C(=O)OC 887141868 MLZLOKLHUNEDRA-UHFFFAOYSA-N 255.274 -0.365 50 20 CBGD CCOC(=O)[C@H](CC(=O)NN(C)C[C@@H](C)O)C(C)=O 910159085 ZWGUWGRMGLRQHB-PSASIEDQSA-N 274.317 -0.511 50 20 CBGD CCC(=O)N1CC[C@@H](C(=O)NN(C)C[C@@H](C)O)C1 910159740 CJBPBKRLVKWUNL-NXEZZACHSA-N 257.334 -0.411 50 20 CBGD Cc1cnc2c(C(=O)NN(C)C[C@H](C)O)cnn2c1 910182705 IOWWFLGFZKWZMD-VIFPVBQESA-N 263.301 -0.005 50 20 CBGD Cn1c(=NNC(=O)C[C@@H](O)CN)sc2ccccc21 911947042 IOGCGPVFWAKMAE-MRVPVSSYSA-N 280.353 -0.119 50 20 CBGD CC1(C)OC[C@H]2C[C@]21C(=O)NNC(=O)CN1CCCC1=O 913733323 DTAJYBYJTNEVEJ-YMTOWFKASA-N 295.339 -0.429 50 20 CBGD CNS(=O)(=O)c1ccc(C(C)=NNC(N)=O)cc1 916248858 RTKXPAKRKZBGDL-UHFFFAOYSA-N 270.314 -0.013 50 20 CBGD CC(=O)NNC(=O)c1cc(NS(C)(=O)=O)ccc1O 920430132 LSPFUBUBNCEBCP-UHFFFAOYSA-N 287.297 -0.455 50 20 CBGD O=C(CC[C@H]1CCCO1)NNC(=O)CN1CCCC1=O 920435222 GIUNRNVXZJMVIQ-SNVBAGLBSA-N 283.328 -0.285 50 20 CBGD Cc1nn(C)cc1C=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1116379963 HUBXKQCHXUVERS-SECBINFHSA-N 284.341 -0.387 50 20 CBGD COCCOc1ccc(NC(=O)C(=O)NNC(C)=O)cn1 1116598350 BSDAYYMSMIXSGP-UHFFFAOYSA-N 296.283 -0.787 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2ccco2)N1 1318090286 YKZFPHCIGBUQMK-QMMMGPOBSA-N 266.257 -0.611 50 20 CBGD C[C@@H](O)c1cn(CC(=O)NNc2ncc(F)cn2)nn1 1319575865 CPRCUMDSZCIEIS-ZCFIWIBFSA-N 281.251 -0.596 50 20 CBGD CCOC(=O)C[C@H]1CCCN1CC(=O)NNC(=O)C1CC1 1324216154 LSRVTCYQXLSESB-LLVKDONJSA-N 297.355 -0.039 50 20 CBGD C[C@@H](C(=O)NNC(=O)Cc1cccnc1)S(C)(=O)=O 1326381583 SKIOIPGRSRRRQL-QMMMGPOBSA-N 285.325 -0.795 50 20 CBGD NC(=O)[C@H](NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(F)cc1 1329207840 SCBXMILGBZZPOL-GXSJLCMTSA-N 294.286 -0.749 50 20 CBGD N#Cc1cccc(NNC(=O)CC[C@@H]2NC(=O)NC2=O)c1 1330880209 QGGAQOPTFSZOJP-JTQLQIEISA-N 287.279 -0.010 50 20 CBGD C[C@H](NNC(=O)c1nc(O)nc(O)c1N)C(F)(F)F 1331792267 TYJYAXKUBICFNR-REOHCLBHSA-N 281.194 -0.345 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1cccc2c1COC2=O 1337969730 XZIHDWABSVEVRW-UHFFFAOYSA-N 299.308 -0.179 50 20 CBGD O=C(CO[C@H]1CCOC1)NNC(=O)CC(F)(F)F 1339908085 DSSPJTAEZCDPNQ-LURJTMIESA-N 270.207 -0.108 50 20 CBGD C[C@@H]1COC[C@H]1NC(=O)NNC(=O)c1cnn(C)c1 1343830136 VHJJMPIVIAPVSL-VXNVDRBHSA-N 267.289 -0.601 50 20 CBGD O=C(CN1C(=O)CCC1=O)NNc1ncccc1F 1347325099 CHZIAFRDIVEBKJ-UHFFFAOYSA-N 266.232 -0.187 50 20 CBGD Cn1c(N)nc(Cl)c1C=NNC(=O)C(=O)NC1CC1 1347628970 ODPAPEUBDUOCQE-UHFFFAOYSA-N 284.707 -0.616 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)[C@]1(C)C[C@H](O)CN1 1574166074 WQUBTZAGPPTWJE-HZMBPMFUSA-N 277.324 -0.131 50 20 CBGD CC[C@@H]1NCC[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 1577307694 GRWIGJMGQVOAAW-UWVGGRQHSA-N 282.344 -0.856 50 20 CBGD CC(C)C(=O)NNC(=O)CN1[C@@H](C)CC[C@H]1C(=O)O 1588799377 FPMCCWVGLWOSLL-IUCAKERBSA-N 271.317 -0.273 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1CC=C(C(=O)O)C1 1594645963 VKBAPEDXLDTDCG-UJNFCWOMSA-N 297.311 -0.085 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@H](C(=O)O)C1CC1 1594710902 CWBMXSWNRKNZCI-LLVKDONJSA-N 277.280 -0.118 50 20 CBGD CC[C@@](C)(CC(=O)O)NC(=O)c1cc(B(O)O)ccc1F 1594821159 OMBPUNXBANZPIN-ZDUSSCGKSA-N 297.091 -0.121 50 20 CBGD CS(=O)(=O)[C@H]1CCCC1=NNC(=O)NCC(=O)O 1599744904 GXLJIBSVTYMSSJ-ZETCQYMHSA-N 277.302 -0.677 50 20 CBGD O=C(CO)NN=Cc1c(F)cc(-c2nn[nH]n2)cc1F 1606560236 XZXKBANRORXHBF-UHFFFAOYSA-N 282.210 -0.413 50 20 CBGD CCNC(=O)NNC(=O)c1cnc(C(=O)O)cn1 1610302558 ZBSUMJHBTXXNQT-UHFFFAOYSA-N 253.218 -0.861 50 20 CBGD COc1ccnc(NNC(=O)Cn2ccccc2=O)n1 46363989 ZMMJSYAJOYQIOL-UHFFFAOYSA-N 275.268 -0.210 50 20 CBGD CCCC[C@@H](NC(N)=O)C(=O)NNC(=O)NC1CC1 49182384 HVPBTOJQGHBFEA-MRVPVSSYSA-N 271.321 -0.294 50 20 CBGD COCCCNC(=O)NNC(=S)NCCN(C)C 144933178 DJUWDCYCKFYXBT-UHFFFAOYSA-N 277.394 -0.737 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)c1cccn1C 268372768 ZCMPPVZGNKCLNH-MRVPVSSYSA-N 281.316 -0.377 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2CNCCO2)n1 269225995 QNPDYKJBFRREKI-QMMMGPOBSA-N 267.289 -0.775 50 20 CBGD C=CCS(=O)(=O)CCNC(=O)NNC(=O)C1CCC1 273028850 YEGRUONZHFJYAN-UHFFFAOYSA-N 289.357 -0.282 50 20 CBGD CC(=O)OC(C)(C)C(=O)NNC(=O)C(=O)NC(C)C 275396795 RICBRFLFPHZARF-UHFFFAOYSA-N 273.289 -1.000 50 20 CBGD CCCC[C@H](NC(N)=O)C(=O)NNC(=O)C(C)(C)O 278063857 YQWPSGMPINDLBK-ZETCQYMHSA-N 274.321 -0.868 50 20 CBGD COC(=O)c1sccc1S(=O)(=O)NNC(C)=O 280750118 KWCIGEJYZULVCV-UHFFFAOYSA-N 278.311 -0.136 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCO1)c1ccc2[nH]c(=O)[nH]c2n1 294186078 XBCCUEZEMAENGR-QMMMGPOBSA-N 291.267 -0.809 50 20 CBGD CCN1CCO[C@@H](C(=O)NNc2nccc(OC)n2)C1 362906457 NXXUWSQTKRCAOE-SECBINFHSA-N 281.316 -0.351 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H](C)N1C(=O)CCC1=O 495821775 ALZCNNIEDCQRCS-ZCFIWIBFSA-N 257.246 -0.747 50 20 CBGD CC(C)(C(=O)Nc1cccc(B(O)O)c1)N1CCOCC1 584913958 MRXHLAANQYAEON-UHFFFAOYSA-N 292.144 -0.584 50 20 CBGD CC(C)N1CCC(NC(=O)c2ccc(B(O)O)cc2)CC1 584926111 ZMVYTIVEGSXTCC-UHFFFAOYSA-N 290.172 -0.031 50 20 CBGD CC[C@H](CO)NC(=O)c1ccc(B(O)O)c(F)c1 584931341 QZJASPHWSOLALN-MRVPVSSYSA-N 255.054 -0.994 50 20 CBGD CC(C)(C)[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)C(N)=O 584941405 JNGMCFYZQNGJBE-SNVBAGLBSA-N 296.107 -0.865 50 20 CBGD CN1CCC[C@@H](CNC(=O)c2ccc(B(O)O)c(F)c2)C1 584944415 PFGZOHIRLWMVIO-JTQLQIEISA-N 294.135 -0.423 50 20 CBGD COCCOC[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 584951523 JFPXWJITKLNGGE-SNVBAGLBSA-N 281.117 -0.852 50 20 CBGD CC[C@@H](CCO)CNC(=O)c1cccc(B(O)O)c1 584957283 DGZWBDYXLDHLGB-JTQLQIEISA-N 265.118 -0.495 50 20 CBGD C[C@@]1(CO)CCC[C@@H]1NC(=O)c1cccc(B(O)O)c1 584962660 OTERTOKEIPCXTH-JSGCOSHPSA-N 277.129 -0.353 50 20 CBGD CC[C@@]1(O)CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584974362 NSFYKMWYGQBSIO-CYBMUJFWSA-N 281.092 -0.508 50 20 CBGD C[C@@H]1[C@H](O)CCCN1C(=O)c1ccc(B(O)O)c(F)c1 585000040 WJBYKNFWGRKHKZ-PRHODGIISA-N 281.092 -0.509 50 20 CBGD C[C@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CS1 585002189 PURNULSDBJRYOE-GZMMTYOYSA-N 265.143 -0.010 50 20 CBGD Cc1noc([C@H](C)N(C)C(=O)c2ccc(B(O)O)cc2)n1 585004578 HFZZNWQMILGTNQ-QMMMGPOBSA-N 289.100 -0.109 50 20 CBGD C[C@@H]1C[C@H](NC(=O)c2cc(B(O)O)ccc2F)CC[C@@H]1O 585007333 WWXRVRGTCCSQBR-JQEORGNBSA-N 295.119 -0.215 50 20 CBGD COCCN1CC[C@@H](NCc2cccc(B(O)O)c2)C1 585029286 QEQYLTGHPWXENA-CQSZACIVSA-N 278.161 -0.823 50 20 CBGD CC[C@@](C)(CO)CNCc1cccc(B(O)O)c1 585030734 YMVDJGFSCHRACC-CYBMUJFWSA-N 251.135 -0.135 50 20 CBGD CC1CCC(CO)(NCc2ccc(B(O)O)o2)CC1 585034231 NUPPNRAKJRDGTM-UHFFFAOYSA-N 267.134 -0.010 50 20 CBGD OB(O)c1ccc(CN[C@H]2Cc3cccc(O)c3C2)o1 585038098 RYYAODSHZQTGGY-JTQLQIEISA-N 273.097 -0.078 50 20 CBGD Cc1nnc(COC2CN(Cc3ccc(B(O)O)o3)C2)o1 585048465 PXPOHLLVWCFEPD-UHFFFAOYSA-N 293.088 -0.948 50 20 CBGD CN(C)c1ccc(S(=O)(=O)NCB(O)O)cc1 585059394 MEKVLKGBNYZRRL-UHFFFAOYSA-N 258.108 -0.957 50 20 CBGD O=C(CCN1CCOCC1)NNC(=O)Cc1cccnc1 728893512 SZVJHYKFUBIEHD-UHFFFAOYSA-N 292.339 -0.506 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CCCN(C(N)=O)C1 732073361 GDLQBPGHWMAWBR-SECBINFHSA-N 293.327 -0.423 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1ccncc1 748454193 PIPBBVGGCKYOSY-JTQLQIEISA-N 296.327 -0.037 50 20 CBGD CC[C@H](C)NC(=S)NNC(=O)C(=O)N1CCCC1 749771104 WOIPOFUTKDRDPS-QMMMGPOBSA-N 272.374 -0.097 50 20 CBGD CCCCS(=O)(=O)NCC(=O)NNc1cccnn1 753080680 RXDCFIMGEHBJFU-UHFFFAOYSA-N 287.345 -0.361 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCC(C)(C)C 758042966 CFTUUGYTKDBHHZ-MRVPVSSYSA-N 293.389 -0.102 50 20 CBGD COCC(=O)NNC(=S)NC[C@H]1CCCCO1 758240242 FMNUJBUSKQRBGX-MRVPVSSYSA-N 261.347 -0.303 50 20 CBGD C[C@H]1CC(=NNC(=O)Cc2cc(O)nc(O)n2)CN1C 761813681 TZHCRVFRPREARV-ZETCQYMHSA-N 279.300 -0.374 50 20 CBGD O=C(CO)NNC(=O)c1ccc(OCC(F)(F)F)cn1 765907820 ZUYFXOJICARAQL-UHFFFAOYSA-N 293.201 -0.224 50 20 CBGD O=C(NCc1nnnn1CC1CC1)NNc1ncccn1 771374264 KQIMULHUDLDJPC-UHFFFAOYSA-N 289.303 -0.301 50 20 CBGD C[C@@H]1CCN(S(=O)(=O)NNC(=O)c2ccccn2)C1 777905488 IQSPCAFAMKROOG-SECBINFHSA-N 284.341 -0.097 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](O)[C@H](C)C1 778258734 PYHTWWBEGLWUTJ-KXUCPTDWSA-N 257.334 -0.365 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC(=O)N(C2CC2)C1 790464520 MFAGXRBUPKMQRR-QMMMGPOBSA-N 268.317 -0.804 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H](OC)C1CC1 792082962 CPSDJCLQORPCFF-SECBINFHSA-N 259.306 -0.222 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@H]2CCN(C)C2=O)n1 794083412 ILUCKBMIQHMKPV-SECBINFHSA-N 276.296 -0.371 50 20 CBGD CC1(C)C[S@@](=O)CCN1CC(=O)NNC(=O)C1CC1 794568598 RXANMOWBOBRFRQ-IBGZPJMESA-N 287.385 -0.613 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CCc2cnn(C)c2C1 798932505 WPMQYGFORFWZGW-MRVPVSSYSA-N 265.317 -0.125 50 20 CBGD Cn1c(S)nnc1CCNC(=O)NNc1cccnn1 820255011 BBWCQGRJOYSSRE-UHFFFAOYSA-N 294.344 -0.237 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cnc2n(c1=O)CCS2 823982528 ADMUMHPTNIBGKB-ZETCQYMHSA-N 284.341 -0.694 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@]1(C)CCNC1=O 824015899 FQUPOMWBWJRVAM-UBJUHAIHSA-N 269.301 -0.915 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(CC#N)CC(=O)O 826754287 LQHFQPZYMOPYLU-VIFPVBQESA-N 284.316 -0.521 50 20 CBGD COCCOCC(=O)NNC(=O)CCNC(C)(C)C 827870128 WHOUXHYKMSXBON-UHFFFAOYSA-N 275.349 -0.425 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@](C)(C(=O)O)C1 828570436 DUOTZFACRXGRRE-QPUJVOFHSA-N 271.317 -0.271 50 20 CBGD Cc1ccc(C(=O)NNC(=O)Cn2cc(C(=O)O)nn2)o1 832911747 LRQAKERBPJXJCH-UHFFFAOYSA-N 293.239 -0.661 50 20 CBGD CCn1nc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)ccc1=O 843650239 AEAYJSKRVFWIBE-IUCAKERBSA-N 294.311 -0.551 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CNC(=O)C(C)(C)C 843971936 CMAZSKGHEJJNMA-DTWKUNHWSA-N 285.344 -0.279 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc2[nH]nnc2c1 843974837 DLJAYNUTQYHXIP-HTRCEHHLSA-N 290.283 -0.461 50 20 CBGD O=C(NNc1ncccc1Cl)[C@H]1CCS(=O)(=O)N1 846635438 TVOBNKFXIZOFGM-SSDOTTSWSA-N 290.732 -0.130 50 20 CBGD CN(C)CCn1ccc(C(=O)NNC(=O)c2ccc[nH]2)n1 847298226 QOWCJPVULTZKRR-UHFFFAOYSA-N 290.327 -0.152 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)N[C@H]1CCNC1 851672430 LOZTXXYGQQGBSN-VIFPVBQESA-N 294.311 -0.537 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@@H](C)CC(N)=O 854285013 DSTRUXMEODBXCV-QMMMGPOBSA-N 290.389 -0.628 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@H]1CCCC(=O)N1)C1CC1 855097214 LRXIJDCDXIEBSV-IONNQARKSA-N 284.385 -0.051 50 20 CBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)OCC(F)(F)F 856027307 HCUUJPXLZDIEST-ZCFIWIBFSA-N 283.206 -0.073 50 20 CBGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cccc(F)n1 856424470 MRRLZLKSYWRGBW-QMMMGPOBSA-N 295.274 -0.475 50 20 CBGD COC(=O)C[C@H](O)CNS(=O)(=O)CCCCCl 859344352 VIGWUJPMKDAWFM-QMMMGPOBSA-N 287.765 -0.151 50 20 CBGD CC(C)C(=O)NNC(=O)CN1[C@H]2CC[C@H]1CC(=O)NC2 859940738 GLCDRWLSIITBFZ-UWVGGRQHSA-N 282.344 -0.857 50 20 CBGD CCc1nn(C)cc1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 860873828 NSPVDPZOJGSHGS-QMMMGPOBSA-N 294.315 -0.586 50 20 CBGD O=C(NC[C@H]1COCCN1)NNc1cccnn1 861682575 SMEZMMGTGONEKL-QMMMGPOBSA-N 252.278 -0.909 50 20 CBGD CCC[C@H](OCC)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862464374 XQXVPVXHUBCWAL-BDAKNGLRSA-N 271.317 -0.382 50 20 CBGD CC(C)c1cc(C(=O)NNC(=O)CS(C)(=O)=O)n[nH]1 863460261 QJASFDOADCDPGV-UHFFFAOYSA-N 288.329 -0.661 50 20 CBGD C=CCC1(C(=O)NNC(=O)CS(C)(=O)=O)CCC1 863464533 IKAWCUGVSHMQJL-UHFFFAOYSA-N 274.342 -0.075 50 20 CBGD Cn1nncc1NNC(=O)[C@@]1(C2CCCC2)CCNC1=O 863919781 BAHXWUWFXKEKDI-CYBMUJFWSA-N 292.343 -0.045 50 20 CBGD Cc1ccc2ncc(C(=O)NN(C)C[C@H](C)O)c(=O)n2c1 910174022 PPTCWQPMHMQYTF-JTQLQIEISA-N 290.323 -0.040 50 20 CBGD CC(=O)NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 912771405 AVUUVDSTCQGTDF-UHFFFAOYSA-N 280.240 -0.508 50 20 CBGD CC(=O)N[C@](C)(C(=O)NNC(=O)N(C)C)C(C)C 931118233 CTZAKDMVIAQHFQ-NSHDSACASA-N 258.322 -0.160 50 20 CBGD O=C(CN1C(=O)CNC1=O)NN=c1cc[nH]cc1Cl 1116253670 VRYRHUCTOBGUJO-UHFFFAOYSA-N 283.675 -0.848 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCCC(N)=O 1118283699 HLIWRIPVWIYNIJ-HTQZYQBOSA-N 257.290 -0.786 50 20 CBGD CO[C@H](C(=O)NNC(=O)c1cnn(C)c1)c1cnn(C)c1 1256532260 IINVJJIRIKUHHV-JTQLQIEISA-N 292.299 -0.698 50 20 CBGD O=C(NN=Cc1ccccn1)N[C@H]1CCS(=O)(=O)C1 1318011068 LBUNOLUMDAKMNZ-JTQLQIEISA-N 282.325 -0.098 50 20 CBGD CC[C@H]1C[C@H](C(=O)NNC(=O)C(=O)NC(C)C)CCO1 1319940993 WFGINMKPCPJOHU-ZJUUUORDSA-N 285.344 -0.136 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccc(OC)nc1 1320088288 OGUDSAQURCVJGL-UHFFFAOYSA-N 268.229 -0.584 50 20 CBGD COC(=O)NNC(=O)c1ccc(S(C)(=O)=O)o1 1320388341 WQMKXVSIGDGOMQ-UHFFFAOYSA-N 262.243 -0.316 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)o1 1320393903 CKGCFJFQGZZQMU-UHFFFAOYSA-N 292.251 -0.207 50 20 CBGD COC(=O)C(=O)NN=C(C)CCC(=O)N(C)OC 1325320743 WCTAMHWXCARMNQ-UHFFFAOYSA-N 259.262 -0.549 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1ncc[nH]1 1329340128 VGICNVSFMGFSMI-YUMQZZPRSA-N 252.274 -0.475 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CCCC(=O)C1CC1 1331736684 OFHJOKOYRSSUPS-UHFFFAOYSA-N 290.341 -0.672 50 20 CBGD C[C@@H](O)CN(C)NC(=O)C1CCN(C(=O)N(C)C)CC1 1332147021 CCDIJSDLTLGOHA-SNVBAGLBSA-N 286.376 -0.276 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CCCS(C)(=O)=O 1332471756 ZZWSEMUGWLTKEW-QMMMGPOBSA-N 252.336 -0.845 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cn(C(C)C)cn1 1339826367 LKJCMDZAMZIIEL-UHFFFAOYSA-N 281.316 -0.250 50 20 CBGD C[C@@H]1CN(C)CC1=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1 1549320249 YPUUKEWBLVYLPK-MDZLAQPJSA-N 280.372 -0.097 50 20 CBGD Cn1ncc(CN)c1C(=O)NNC(=O)CC1CC1 1580000990 PCMCAOWXDPGCAV-UHFFFAOYSA-N 251.290 -0.560 50 20 CBGD COC(=O)N(C)NC(=O)Nc1nn(C)cc1-c1nn[nH]n1 1591273317 ZLIIISQOHOZRHL-UHFFFAOYSA-N 295.263 -0.665 50 20 CBGD O=C(NNC(=O)C1CC1)C(=O)Nc1cncc(C(=O)O)c1 1594783196 VGELSZNMENJNRY-UHFFFAOYSA-N 292.251 -0.724 50 20 CBGD O=C(O)[C@@]1(C(=O)NNc2nc3ccccn3n2)CCCO1 1594866756 BNQSLDQBASNUBQ-LBPRGKRZSA-N 291.267 -0.194 50 20 CBGD CNC(=S)N(C)NC(=O)c1cc(C(=O)O)on1 1598661312 BKOOBMMXORGAOB-UHFFFAOYSA-N 258.259 -0.546 50 20 CBGD C[C@@H]1C[C@H](C(=O)O)CCN1C(=O)c1ccc(B(O)O)cc1 1599878430 KVOPUZHWDKXMFY-MWLCHTKSSA-N 291.112 -0.308 50 20 CBGD Cn1c(CNC(=O)NNC(=O)C(=O)O)nc2ccccc21 1600914211 CKBFIXNNYONCHK-UHFFFAOYSA-N 291.267 -0.512 50 20 CBGD O=C(O)[C@H]1CN(S(=O)(=O)CCCCl)CCO1 1601848888 ORYPFUDIUOPXPG-SSDOTTSWSA-N 271.722 -0.270 50 20 CBGD CSc1ccc(NC(=O)C(=O)NNC(=O)C(=O)O)cc1 1610385944 QLFIPUBCDBFTJW-UHFFFAOYSA-N 297.292 -0.421 50 20 CBGD O=C(O)CNC(=O)NN=Cc1ccc2c(c1)NC(=O)CO2 1610784018 UVTKENXMOJRDQW-UHFFFAOYSA-N 292.251 -0.265 50 20 CBGD CC(=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847558197 IQFAELPCOJKRRE-GUBZILKMSA-N 288.731 -0.623 50 20 CBGD CCOC(=O)NNC(=O)c1cc(-c2nnn[nH]2)cn1C 95175046 OABYHGSOZYQEDY-UHFFFAOYSA-N 279.260 -0.404 50 20 CBGD Cc1cccnc1C(=O)NNC(=O)CN1CCCC1=O 123702671 ABYMBQIHIIMCRQ-UHFFFAOYSA-N 276.296 -0.227 50 20 CBGD O=C(O)c1cc(S(=O)(=O)NNC(=O)C2CCC2)c[nH]1 264681380 ADRNPJWFSQUYDB-UHFFFAOYSA-N 287.297 -0.178 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H](C)N2CCN(C)CC2)[nH]n1 268992981 FFHKPFWXUBVHDQ-SNVBAGLBSA-N 294.359 -0.885 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1O 277873976 DAZDKBWJZSHOGD-UHFFFAOYSA-N 283.240 -0.168 50 20 CBGD COCCc1ccnc(NC(=O)NNC(=O)CN(C)C)c1 287491602 XXEYVNOPHBYBKB-UHFFFAOYSA-N 295.343 -0.015 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1=CCCCC1 290225181 KGDZWLSXFYFXIM-QMMMGPOBSA-N 289.357 -0.428 50 20 CBGD CN1C[C@@H](C(=O)NNC(=O)c2ccccn2)CC1=O 298284811 JYYMWEQFSCKLBU-QMMMGPOBSA-N 262.269 -0.679 50 20 CBGD CCn1nc(C)c(C(=O)COc2ccc(B(O)O)cc2)n1 584910808 SZIVWUJDCXRGDX-UHFFFAOYSA-N 289.100 -0.452 50 20 CBGD CC(C)(C)S(=O)(=O)CC(=O)Nc1cccc(B(O)O)c1 584913300 SSSVCQSYLXNROT-UHFFFAOYSA-N 299.157 -0.482 50 20 CBGD CCN1CC[C@H](CNC(=O)c2cc(B(O)O)ccc2F)C1 584934068 OKYGFLXIUZZAKB-SNVBAGLBSA-N 294.135 -0.423 50 20 CBGD COC[C@](C)(C#N)NC(=O)c1cccc(B(O)O)c1 584962073 HPGNJTZLJWZACV-LBPRGKRZSA-N 262.074 -0.975 50 20 CBGD CC[C@@H]1COC[C@H]1NC(=O)c1cc(B(O)O)ccc1F 585007393 LTUSJPMYSMWMMV-PRHODGIISA-N 281.092 -0.340 50 20 CBGD O=S1(=O)CCC(CNCc2ccccc2B(O)O)CC1 585032751 ZNGVYLNJTPZQNW-UHFFFAOYSA-N 297.185 -0.719 50 20 CBGD C[C@H]1CCCN1CCNCc1cccc(B(O)O)c1 585034919 VKXMAEROQKALQO-LBPRGKRZSA-N 262.162 -0.060 50 20 CBGD CC(C)C[C@H](C(=O)NCB(O)O)N1CCCCC1=O 585057043 JAJQIFDFOASKBP-SNVBAGLBSA-N 270.138 -0.458 50 20 CBGD O=C(CCCn1cccn1)NNC(=O)Cc1cc[nH]n1 730090436 AWYGOBDQLPCGCD-UHFFFAOYSA-N 276.300 -0.224 50 20 CBGD CCN1CCC[C@H]1CN1C[C@@H](C(=O)NNC(C)=O)CC1=O 733356983 YODABPDAUDLLAY-RYUDHWBXSA-N 296.371 -0.514 50 20 CBGD O=C(CN1CCC[C@@H](C(=O)O)C1)NNC(=O)C1CC1 738465641 JHMDTHGIRWUOBU-SECBINFHSA-N 269.301 -0.660 50 20 CBGD N=C1NC(=O)[C@H](CC(=O)NNC(=O)C2CC2)S1 742471537 DISRTMYCLQBKET-YFKPBYRVSA-N 256.287 -0.900 50 20 CBGD COC[C@@](C)(O)C(=O)NNc1nc(C)cc(OC)n1 755020541 IDTNKJMGTKRJLK-LLVKDONJSA-N 270.289 -0.366 50 20 CBGD CCO[C@H](CC)C(=O)NNC(=O)C(=O)Nc1ccccn1 758841247 OQFVQMPWUMATGR-SECBINFHSA-N 294.311 -0.017 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](CC)N(C)C 765638757 PPSBKQOGPXSYCV-JTQLQIEISA-N 286.376 -0.221 50 20 CBGD CCOCC(=O)NNC(=O)NCCOCC(F)F 788319138 LMAHWQILECMIBC-UHFFFAOYSA-N 269.248 -0.365 50 20 CBGD COCCO[C@H](C)C(=O)NN=C1C(=O)OC[C@@H]1C 794914733 JAJIOFBCDWEYRM-JGVFFNPUSA-N 258.274 -0.297 50 20 CBGD O=C(CN1CCOC[C@H]1[C@@H]1CCCO1)NNC(=O)C1CC1 796346672 RNNRBBUBLGTLDG-RYUDHWBXSA-N 297.355 -0.576 50 20 CBGD CN(C)c1ncc(C=NNC(=O)N2CCOCC2)n1C 811640417 RULNIMCYHOJHOP-UHFFFAOYSA-N 280.332 -0.138 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1ncncc1F 817078448 FDVUSWPQDITTRQ-UHFFFAOYSA-N 271.252 -0.836 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccn2nnnc2c1 831854468 XESICMKECCCZGU-UHFFFAOYSA-N 263.261 -0.570 50 20 CBGD Cc1nc(N)nc(C)c1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843979938 QSKYKUGKOCMQEN-BDAKNGLRSA-N 293.327 -0.138 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@@H]1CCCS(=O)(=O)C1 845300491 UJQKRHAZCWVOEA-SECBINFHSA-N 289.357 -0.448 50 20 CBGD CC[C@@H](C#N)C(=O)NNC(=O)CNC(=O)c1cccnc1 846640763 VJBVEGVFPQJMFQ-VIFPVBQESA-N 289.295 -0.491 50 20 CBGD CO[C@@H](C)CNC(=O)NNC(=O)[C@H]1CCCCO1 852531675 SZSKJTXLUTVARJ-DTWKUNHWSA-N 259.306 -0.079 50 20 CBGD CC[C@@H]1COCC1=NNC(=O)[C@H](C)NS(C)(=O)=O 853303759 QYDVKFUADMYDTO-JGVFFNPUSA-N 277.346 -0.547 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CCCc2nn[nH]c21 854920580 DPTUBBYRRAVNDO-LURJTMIESA-N 268.346 -0.308 50 20 CBGD CCC(CC)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858102961 HOWONZMMOBIFBC-QMMMGPOBSA-N 256.306 -0.216 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@H]2CCCS2)N1 858292169 CXHIUTJVOXBSLS-HTQZYQBOSA-N 286.357 -0.509 50 20 CBGD O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CC[C@H](B(O)O)C1 864234827 WRCSDXSXHFIMMF-MNOVXSKESA-N 294.160 -0.147 50 20 CBGD CC1(C)[C@H](N)C[C@H]1NCC(=O)NNC(=O)C1CC1 883442929 VZVIKGBBVZQAIH-RKDXNWHRSA-N 254.334 -0.741 50 20 CBGD CCO[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 885325690 VQBLDSOQSYGFPP-JTQLQIEISA-N 281.092 -0.244 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1C 887146618 FDRYJNFHGUKFQP-VIFPVBQESA-N 251.286 -0.442 50 20 CBGD CN(CCS(N)(=O)=O)C(=O)[C@]1(C)C[C@@H]1Br 913805014 CZSPEHGWIOMNAU-POYBYMJQSA-N 299.190 -0.093 50 20 CBGD COC(=O)C(=O)NN=Cc1ccccc1OCC(=O)O 1319047118 RGKRPGDCWXTVGV-UHFFFAOYSA-N 280.236 -0.227 50 20 CBGD COC(=O)c1ccc(C(=O)NNc2nccn(C)c2=O)o1 1319299556 APMJPOZLLKSRSQ-UHFFFAOYSA-N 292.251 -0.083 50 20 CBGD NC(=O)NCCCCC(=O)NNC(=O)CC(F)(F)F 1321859014 ZNEKBQITXXLHID-UHFFFAOYSA-N 284.238 -0.075 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](C)C[S@](C)=O 1325977310 VVUASLKJEVMYLM-FKOSXZIQSA-N 291.373 -0.491 50 20 CBGD CCC(=O)C1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 1329530525 MTXYGVLLSHPZCA-ZETCQYMHSA-N 267.285 -0.828 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCC2CC2)ccc1=O 1332429276 HDIHADNEBFAFLH-UHFFFAOYSA-N 264.285 -0.261 50 20 CBGD CC(C)C[C@@H](C(N)=O)C(=O)NNc1cnnn1C 1351218975 ZVZRMQKYQXFILJ-ZETCQYMHSA-N 254.294 -0.594 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cnn(CCO)c1 1351732099 QZAWPXBHMITXLB-UHFFFAOYSA-N 255.278 -0.819 50 20 CBGD CC(CCO)=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1 1549315493 BSNCIMHBSBHRSC-GHMZBOCLSA-N 255.318 -0.276 50 20 CBGD CC(C)(C(=O)NNC(=O)NCCN)c1cccc(O)c1 1575092090 BQUVZEFQNBRBJZ-UHFFFAOYSA-N 280.328 -0.041 50 20 CBGD COCC[C@H](N)C(=O)NNC(=O)c1ccccc1F 1578997410 HBWRQUIJTLAREW-JTQLQIEISA-N 269.276 -0.050 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@]1(C(=O)O)CCCO1 1602722944 BVCBGTMWPBDDJY-SNVBAGLBSA-N 273.314 -0.699 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNC(=O)c1cccc(C#N)c1 1604435627 XOKKOTBAXIGIHC-VIFPVBQESA-N 277.236 -0.581 50 20 CBGD O=C(NNC(=O)C1CC1)C(=O)Nc1sccc1C(=O)O 1610699733 CHOFPQQGEPQUGE-UHFFFAOYSA-N 297.292 -0.058 50 20 CBGD CC(C)(C)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 42872477 OWCCHXREIWYBAG-ZETCQYMHSA-N 277.346 -0.450 50 20 CBGD COC[C@H](O)CNS(=O)(=O)CBr 127478388 IVEADFSBOZNGQT-RXMQYKEDSA-N 262.125 -0.735 50 20 CBGD CCNC(=O)NNC(=O)Cn1ncc2ccccc2c1=O 139193628 LMKOEMGXVLIKBR-UHFFFAOYSA-N 289.295 -0.253 50 20 CBGD CC(C)NS(=O)(=O)c1ccc(C(=O)NN)cc1 270236772 PUECPIZDIXKBTJ-UHFFFAOYSA-N 257.315 -0.023 50 20 CBGD CCOc1ccccc1C(=O)NCC(=O)NN(C)C(N)=O 271338984 JGMDNMMOIVXJRT-UHFFFAOYSA-N 294.311 -0.143 50 20 CBGD CCOC(=O)c1cc(S(=O)(=O)NNC(C)=O)cn1C 274717522 CYGRCBBPKPHHEM-UHFFFAOYSA-N 289.313 -0.469 50 20 CBGD C[C@@H](O)CN(CCO)S(=O)(=O)CCCCl 309020504 UJGHTMSYZOCNQM-MRVPVSSYSA-N 259.755 -0.380 50 20 CBGD CCOC(=O)NNC(=O)[C@@H]1CCc2nnn(C)c2C1 496793648 UUVPUALUCMMMPH-SSDOTTSWSA-N 267.289 -0.303 50 20 CBGD O=C(N[C@@H]1CCC[C@@H](O)C1)c1ccc(B(O)O)c(F)c1 584929892 FADKOTXGTLEXEZ-NXEZZACHSA-N 281.092 -0.461 50 20 CBGD CO[C@@H](C)CCNC(=O)c1ccc(B(O)O)cc1 584940730 ZTYZVXOWWQSMCP-VIFPVBQESA-N 251.091 -0.479 50 20 CBGD CC(C)C(=O)NCCNC(=O)c1ccc(B(O)O)c(F)c1 584942907 ZOPIYQZPEWUMJF-UHFFFAOYSA-N 296.107 -0.993 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCOCC12CCC2 584965532 SSFSWMVYWQSPHK-UHFFFAOYSA-N 293.103 -0.099 50 20 CBGD CCN1CCC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)C1 584968898 PCUXRODXHCESOF-LBPRGKRZSA-N 290.172 -0.172 50 20 CBGD CC(C)C[C@H](CO)CNC(=O)c1ccc(B(O)O)c(F)c1 584985888 RSUGZLHIAVJGGV-JTQLQIEISA-N 297.135 -0.110 50 20 CBGD CS[C@@H](CO)[C@@H](C)NCc1ccc(B(O)O)cc1 585027859 FCSGKIRRUWQPHZ-SKDRFNHKSA-N 269.175 -0.432 50 20 CBGD COC[C@H](NCc1ccc(B(O)O)cc1)[C@@H]1CCCO1 585039348 SMFGEZURZNFFRC-KBPBESRZSA-N 279.145 -0.350 50 20 CBGD OC[C@@H](CNCc1ccc(B(O)O)o1)CC1CC1 585047353 NVGYGLNZMRCZHL-SNVBAGLBSA-N 253.107 -0.542 50 20 CBGD C[C@H]1Cc2cc(S(=O)(=O)NCB(O)O)ccc2O1 585055773 IXWJBCITBPRYNZ-ZETCQYMHSA-N 271.103 -0.700 50 20 CBGD O=C(COc1ccc(F)c(Cl)c1)NCB(O)O 585061909 MBBZPFZMHQUPJR-UHFFFAOYSA-N 261.445 -0.014 50 20 CBGD O=C(Nc1ccccc1)C(=O)N1CC[C@@H](B(O)O)C1 585077856 ULWMOSFNTHMVHJ-SECBINFHSA-N 262.074 -0.300 50 20 CBGD Cc1cnc(C(=O)NNC(=O)CN2CCCC2=O)cn1 726717563 ZTWUUMZLXTVEEO-UHFFFAOYSA-N 277.284 -0.832 50 20 CBGD Cn1cc(C(=O)NNC(=O)Cc2cccnc2)cn1 728891941 LVTGYXBMTNMCAY-UHFFFAOYSA-N 259.269 -0.181 50 20 CBGD O=C(Cc1ccccc1F)NNC(=O)c1nc[nH]n1 746167548 OVMUZDLQGDLUMI-UHFFFAOYSA-N 263.232 -0.053 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCC(F)F 752010631 SSHYWPCQQYKMSZ-UHFFFAOYSA-N 290.226 -0.395 50 20 CBGD CN(NC(=O)c1ccnc(O[C@@H]2CCOC2)c1)C(N)=O 755710323 XAGHHTUJFAZOEK-SECBINFHSA-N 280.284 -0.095 50 20 CBGD NC(=O)c1cc(C(=O)NNC(=O)c2ccc[nH]2)co1 758996967 OMRIAWDFGPGUIZ-UHFFFAOYSA-N 262.225 -0.219 50 20 CBGD C[C@H]1C[C@@H](O)CN1CC(=O)NNC(=O)C(C)(C)C 761113071 MPJZMURTWAGTBK-DTWKUNHWSA-N 257.334 -0.365 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(F)c1C 764303813 ZPMJXTXWPZIFJI-UHFFFAOYSA-N 283.259 -0.134 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)N1CCCC1 770718558 DAQDEJXREQIKAD-DTWKUNHWSA-N 269.301 -0.819 50 20 CBGD C=C(C)CNC(=S)NNC(=O)NCC(=O)OC 779721550 QQKPSWVCCIKDIV-UHFFFAOYSA-N 260.319 -0.586 50 20 CBGD CNC(=O)c1ccc(C=NNC(=O)NCC(=O)OC)cc1 779817626 LANAECSSAJLPOK-UHFFFAOYSA-N 292.295 -0.148 50 20 CBGD NC(=O)CSCC(=O)NNc1ncncc1Cl 781818613 CDTZTZSQOCUOOS-UHFFFAOYSA-N 275.721 -0.208 50 20 CBGD CCOc1nc(C)ccc1C(=O)NNC(=O)CO 792418308 LKAWQSHGQHMEFG-UHFFFAOYSA-N 253.258 -0.458 50 20 CBGD CN1CCC(C(=O)NNC(=O)N=c2cc[nH]cc2)CC1 802032485 UZDYXGCVZPYZIN-UHFFFAOYSA-N 277.328 -0.002 50 20 CBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)c1ccccc1 816816907 MCTNBYPXLZUQSK-NXEZZACHSA-N 261.281 -0.041 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)[C@@H]1CC(=O)NC(=O)N1 816829258 IARTVTGDMTXYDE-VIFPVBQESA-N 290.279 -0.646 50 20 CBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NN(C)[C@H](C)CO)C2 823918367 VZXRTMNVSNJANB-KXNHARMFSA-N 297.355 -0.027 50 20 CBGD CCOc1nc2ccc(C(=O)NNC(=O)CO)cc2[nH]1 827893627 HBDBSXNSJPMUFX-UHFFFAOYSA-N 278.268 -0.285 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@H]1C(=O)O 828441927 VMNVJKVIAOMZMX-DTWKUNHWSA-N 285.344 -0.168 50 20 CBGD CO[C@@H](C)CS(=O)(=O)NNC(=O)[C@H]1CCCCO1 830037262 PXBOKQXZWQVUBZ-DTWKUNHWSA-N 280.346 -0.459 50 20 CBGD COC(=O)[C@H]1CN(C)CCN(S(=O)(=O)CCl)C1 841555321 BBGDKVOWPIIKKO-QMMMGPOBSA-N 284.765 -0.451 50 20 CBGD Cc1cc(C)nc(NNC(=O)NCCN2CCNCC2)n1 841922103 ZCCHLRHLXRZFQU-UHFFFAOYSA-N 293.375 -0.375 50 20 CBGD C[C@H](CN)NC(=O)NNC(=O)COc1ccccc1F 841969431 MJVOYIHMHCURHS-MRVPVSSYSA-N 284.291 -0.118 50 20 CBGD COCCCOCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843663974 ZZODRKMOLSBDML-ZJUUUORDSA-N 274.317 -0.388 50 20 CBGD Cc1nc[nH]c1CC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843971477 QPDVEAIUGKRISI-IUCAKERBSA-N 266.301 -0.167 50 20 CBGD CC1CCN(S(=O)(=O)NNC(=O)c2cc[nH]n2)CC1 849310784 ORUXHKANCPOVOH-UHFFFAOYSA-N 287.345 -0.379 50 20 CBGD CC(C)NC(=O)C(=O)NN=Cc1nnn(C(C)(C)C)n1 853283223 HBLDAXULKDTLKS-UHFFFAOYSA-N 281.320 -0.597 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=O)OCC(F)(F)F 856021417 OHJGWHKGGWCIQW-ZETCQYMHSA-N 274.195 -0.297 50 20 CBGD CCC[C@H](OC)C(=O)NNC(=O)C(=O)NC(C)C 857433141 RNGRIGNHQFBWNZ-QMMMGPOBSA-N 259.306 -0.527 50 20 CBGD COC[C@]1(C)CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858699960 BCIAYAZAYWLTRE-TVQRCGJNSA-N 298.343 -0.636 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2COc3ccccc32)N1 862455133 MSPGMOIEIFRXQM-UWVGGRQHSA-N 289.291 -0.411 50 20 CBGD COC(=O)C[C@H](C)CC(=O)NNC(=O)c1cn[nH]c1 862470212 KVKXURGHXUVNAJ-SSDOTTSWSA-N 268.273 -0.240 50 20 CBGD Cc1cccc(NNC(=O)[C@H](C)NS(C)(=O)=O)n1 862522936 MBBZRQDKVXDEAR-QMMMGPOBSA-N 272.330 -0.229 50 20 CBGD COC(=O)C[C@H](NC(=O)c1cccc(B(O)O)c1)C1CC1 863876636 IOWMYWOLNOALAF-LBPRGKRZSA-N 291.112 -0.562 50 20 CBGD C[C@@H]1CCCN(C(=O)C(=O)NNC(=O)C2CCOCC2)C1 883068341 QHQADODTOQKZQV-SNVBAGLBSA-N 297.355 -0.181 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)[C@H]1OCCN(C)C1=O 899962850 CPLGSPMBVCFPEE-LLVKDONJSA-N 291.307 -0.387 50 20 CBGD C=CCOC[C@@H](NCc1ccccc1B(O)O)C(=O)O 901808948 ABVHZUXQZREINJ-GFCCVEGCSA-N 279.101 -0.888 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccnc2c1ncn2C 910157594 RHVPNTOFTJRROP-MRVPVSSYSA-N 263.301 -0.074 50 20 CBGD C[C@H](O)CN(C)NC(=O)CNC(=O)CC(C)(C)C 910167158 CLXWUCXWFXZHSY-VIFPVBQESA-N 259.350 -0.117 50 20 CBGD Cc1[nH]ccc1C(=O)NNC(=O)CN1CCCC1=O 913731773 VNVWJJWYQWWXBA-UHFFFAOYSA-N 264.285 -0.293 50 20 CBGD CCC(=O)NNS(=O)(=O)c1ccc(C)c(C(N)=O)c1 914746230 JUKJMJCODANDMW-UHFFFAOYSA-N 285.325 -0.187 50 20 CBGD C[C@H](C(=O)NNC(=O)c1cccn1C)S(C)(=O)=O 915694817 BVOIPFGTHQPHFA-SSDOTTSWSA-N 273.314 -0.781 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(CN(C)C)on1 1118219567 ULDCXTZJCMWEOQ-SCZZXKLOSA-N 296.327 -0.078 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)C(=O)NCC(F)F 1118774445 YNKSPIZYDXDEBZ-UHFFFAOYSA-N 277.149 -0.533 50 20 CBGD NC(=O)[C@H](NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 1118952092 RCOLCGZATXBWEH-MWLCHTKSSA-N 276.296 -0.888 50 20 CBGD CC(=O)N1CC[C@](C)(C(=O)NNC(=O)C2CCOCC2)C1 1119665072 MVQWKBFHKCILJI-AWEZNQCLSA-N 297.355 -0.181 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)Sc1nnnn1CC 1251911013 LVLLBUWLSWQCAR-ZCFIWIBFSA-N 272.334 -0.269 50 20 CBGD COC(=O)C(=O)NNC(=O)NC(C1CC1)C1CC1 1252438361 MOTCJTHCFKJNJI-UHFFFAOYSA-N 255.274 -0.322 50 20 CBGD Cn1nccc1NC(=O)C(=O)NNC(=O)CC(C)(C)C 1254905454 ODGXYXFULZJUFJ-UHFFFAOYSA-N 281.316 -0.058 50 20 CBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1c(C)nc(O)nc1O 1261832992 IJRQUUREDLGXTQ-SSDOTTSWSA-N 293.283 -0.685 50 20 CBGD C[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)c1cnn(C)c1 1319233745 FYRKKIMRUZZJTH-MRVPVSSYSA-N 291.315 -0.141 50 20 CBGD CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CCl)CC1 1319785928 OYUBLDBGINKONE-SNVBAGLBSA-N 273.764 -0.010 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(Cl)nc1 1320232985 WVOXIIMOIUSODW-UHFFFAOYSA-N 286.675 -0.533 50 20 CBGD Cn1cc(C(=O)NNc2ccccn2)c(O)nc1=O 1320683819 JTBDLMVSPZMXSM-UHFFFAOYSA-N 261.241 -0.362 50 20 CBGD C#CCC(C)(C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1321212647 CDDXNODXIJOKTE-VIFPVBQESA-N 286.353 -0.382 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)C2=COCCC2)N1 1330227650 SMUYRGHFPJARFS-MRVPVSSYSA-N 253.258 -0.893 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 1330487232 CQLNFCCHMOWRLW-PRJMDXOYSA-N 285.300 -0.697 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](C)C1CCOCC1 1333156095 YNVHDAVLYFAHGO-SSDOTTSWSA-N 273.289 -0.695 50 20 CBGD CO[C@H](C)CNC(=O)NNC(=O)C1CCNCC1 1333533094 VMUCEEHMGZXBIT-MRVPVSSYSA-N 258.322 -0.649 50 20 CBGD N[C@@H](CCC(=O)NNC(=O)c1ncccn1)C(F)(F)F 1574284896 ZHNIKLCNAPFLOE-LURJTMIESA-N 291.233 -0.093 50 20 CBGD C[C@H](C(=O)O)n1cccc1C=NNC(=O)[C@H]1CCC(=O)N1 1589539174 DDPCQLCYUYAQNI-PSASIEDQSA-N 292.295 -0.138 50 20 CBGD CN(NC(=O)c1cccn(CC(=O)O)c1=O)C1CC1 1593766089 FRIYWTDOQPHYKV-UHFFFAOYSA-N 265.269 -0.328 50 20 CBGD COCC(=O)NNC(=O)Nc1cnn(C(C)(C)C(=O)O)c1 1599143138 NKVIZTAWKBMTLA-UHFFFAOYSA-N 299.287 -0.498 50 20 CBGD C[C@@]1(C(=O)O)CCN(C(=O)c2cc(B(O)O)ccc2F)C1 1603301367 PYOPCRPVCVOJLO-CYBMUJFWSA-N 295.075 -0.558 50 20 CBGD O=C(NC[C@@H]1COC2(CCCC2)O1)NNC(=O)C(=O)O 1610689683 CRHBLGPYCZXKAZ-SSDOTTSWSA-N 287.272 -0.913 50 20 CBGD O=C(Cn1cc([N+](=O)[O-])cn1)NNC(=O)[C@@H]1CCCO1 32261203 SUCVFEGRYARSOD-QMMMGPOBSA-N 283.244 -0.882 50 20 CBGD CCc1ncc(C(=O)NNC(=O)C(=O)NC2CC2)s1 49157571 SILPJCSGIQBBRR-UHFFFAOYSA-N 282.325 -0.255 50 20 CBGD COC(=O)NCC(=O)NNC(=O)NCc1ccco1 49162406 OOXPYZOYKKMGCX-UHFFFAOYSA-N 270.245 -0.534 50 20 CBGD CNCCN(C)CC(=O)NNC(=O)c1ccccc1 70304402 ZDESMOCJCDHWCZ-UHFFFAOYSA-N 264.329 -0.401 50 20 CBGD CCN(CC(=O)NNC(=O)c1c[nH]nc1C)C1CC1 152333467 DGKKBBGBMCNVMR-UHFFFAOYSA-N 265.317 -0.037 50 20 CBGD O=C(CO)NNC(=O)C[C@H]1OCCc2ccccc21 180960611 GQQLERHWHJYYKT-LLVKDONJSA-N 264.281 -0.170 50 20 CBGD CN(C)S(=O)(=O)CCNS(=O)(=O)CCCCl 231025186 RTPOMDBKJHJTPZ-UHFFFAOYSA-N 292.810 -0.574 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C)OC 265882048 MZYIBVIEXPLBMC-SSDOTTSWSA-N 259.306 -0.527 50 20 CBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)Cc1ccncc1 268245116 XXDYUUOOXBRWPI-SECBINFHSA-N 279.296 -0.029 50 20 CBGD COCCOc1cc(C(=O)NNC(=O)CN(C)C)ccn1 272301554 WSGPWMVISAJWPM-UHFFFAOYSA-N 296.327 -0.571 50 20 CBGD COC(=O)NNC(=O)CCCNC(=O)c1cccnc1 274280560 JTVNFOIQJKFUEG-UHFFFAOYSA-N 280.284 -0.021 50 20 CBGD COC(=O)c1ccc(NNC(=O)C2CN(C(C)=O)C2)nc1 276529340 KXJMZIZFDGJWDZ-UHFFFAOYSA-N 292.295 -0.210 50 20 CBGD C[C@@H]1CC(=O)N[C@H](C(=O)NNC(=O)c2ccncc2)C1 292563644 BZQKGRMICGBWQU-WPRPVWTQSA-N 276.296 -0.243 50 20 CBGD O=S(=O)(CBr)NC[C@@H]1CN2CCN1CC2 363700623 NGADWAFVEDYQHE-MRVPVSSYSA-N 298.206 -0.742 50 20 CBGD C[C@H](C(=O)Nc1cccc(B(O)O)c1)[C@@H]1CCC(=O)N1 584911785 MYYHTVAHIJBFHR-KWQFWETISA-N 276.101 -0.780 50 20 CBGD CC[C@H](C#N)NC(=O)c1cc(B(O)O)ccc1F 584936754 MSYHFQGWZMQMCW-MRVPVSSYSA-N 250.038 -0.463 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)CC[C@H]1O 584973046 DAVQHEFYEBJXFG-BXKDBHETSA-N 263.102 -0.791 50 20 CBGD C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(B(O)O)cc1 585000028 WENBJXYPOYAVPE-OLZOCXBDSA-N 275.113 -0.170 50 20 CBGD C[C@@H]1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)O1 585000210 ZWQNBUFHFQXATR-SKDRFNHKSA-N 263.102 -0.336 50 20 CBGD Cn1ncc(C2CC2)c1CNC(=O)c1cccc(B(O)O)c1 585008055 SDUDLFSWCOHZDB-UHFFFAOYSA-N 299.139 -0.093 50 20 CBGD C[C@@]12COC[C@H]1CN(C(=O)c1ccc(B(O)O)c(F)c1)C2 585008883 XZBIQBOLVFIIRM-QMTHXVAHSA-N 293.103 -0.386 50 20 CBGD OB(O)c1ccc(CNCCN2CCCCCC2)o1 585015262 UYGIRPQYQNPWNW-UHFFFAOYSA-N 266.150 -0.075 50 20 CBGD CC(C)(CCO)CNCc1ccc(B(O)O)cc1 585026644 IZYMYKVCGASQDZ-UHFFFAOYSA-N 251.135 -0.135 50 20 CBGD O=C1C[C@H](CNCc2cccc(B(O)O)c2)CN1C1CC1 585045610 KGTVZQCBOLTURN-GFCCVEGCSA-N 288.156 -0.533 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCC[C@H]2O)c(F)c1 585045733 GJHHEJXVJFXCTC-VXGBXAGGSA-N 253.082 -0.492 50 20 CBGD COCC[C@](C)(O)C(C)(C)CNCc1ccc(B(O)O)o1 585047267 MJKBREILTFTQIB-AWEZNQCLSA-N 299.176 -0.137 50 20 CBGD N#Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](B(O)O)C1 585072475 AXSRJBDTFBKMFM-QMMMGPOBSA-N 262.034 -0.085 50 20 CBGD CC(C)[C@H](C(=O)N1CC[C@@H](B(O)O)C1)N1CCCC1=O 585072882 SOSLNNGQNQWZAJ-ZYHUDNBSSA-N 282.149 -0.291 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)Cn1cc([N+](=O)[O-])cn1 732086863 LHQGSSCWLUDRTC-UHFFFAOYSA-N 293.243 -0.716 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnn(C)c1C1CC1 733359331 DKHLUVZVVMVQFY-UHFFFAOYSA-N 265.317 -0.380 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1 755282849 SCEVMHYGGIVXHS-UHFFFAOYSA-N 287.279 -0.488 50 20 CBGD COC(=O)CN(C)CC(=O)NNC(=O)c1cccc(C)c1 757074876 ZIZLMMHXFVIHLJ-UHFFFAOYSA-N 293.323 -0.139 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCC1CC1 758038692 GBXDJDNVHIQULR-ZETCQYMHSA-N 277.346 -0.738 50 20 CBGD COc1ccnc(NNC(=O)C2(NC(N)=O)CC2)n1 767243521 RTXQLINRNGIRIA-UHFFFAOYSA-N 266.261 -0.871 50 20 CBGD NC(=O)C1(C(=O)NNc2nc3ccccn3n2)CCC1 791257625 GMZDZLWHSLPVRQ-UHFFFAOYSA-N 274.284 -0.172 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCc1cncnc1 796182282 GBBFIPPQZFZKOU-VIFPVBQESA-N 294.311 -0.102 50 20 CBGD O=C(NNC(=O)c1cncc(-n2ccnn2)c1)NC1CC1 801842265 KJEKKKCVMIHJOY-UHFFFAOYSA-N 287.283 -0.231 50 20 CBGD CN(C)CC(=O)NNC(=O)c1snnc1C1CC1 810333888 OHCHRJBKFZOKQE-UHFFFAOYSA-N 269.330 -0.262 50 20 CBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)c1ccccc1O 816830464 HYMQQYJGBQLYEW-HTQZYQBOSA-N 277.280 -0.335 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)C[C@H]1CCCN1C 817292975 XQVWOBFGPLHSAX-WDEREUQCSA-N 270.377 -0.042 50 20 CBGD CN(NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C1CC1 819648873 VOTAPODFPNQLIZ-LSKIRQOJSA-N 293.323 -0.726 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CCCN1C(=O)NC(C)C 823865331 NTGIAEDENKUMFG-NSHDSACASA-N 286.376 -0.086 50 20 CBGD CCCNC(=O)NNC(=O)[C@H](CCC)S(N)(=O)=O 823951026 NQPVLFHJULCKTN-ZETCQYMHSA-N 280.350 -0.816 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCNC(=O)C1CC1 825582519 BROUVLMPUHHZHO-WPRPVWTQSA-N 298.343 -0.732 50 20 CBGD COC[C@@H]1CCCN1CC(=O)NNC(=O)C(C)C 827985094 HVDJGXKGZCSSFZ-JTQLQIEISA-N 257.334 -0.099 50 20 CBGD CCC(=O)C1(C(=O)NNC(=O)N2CCN(C)CC2)CC1 830240730 LRPWGJXALHZZKA-UHFFFAOYSA-N 282.344 -0.266 50 20 CBGD C#CCOCCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843662448 RCTPLXCOICUZLK-UWVGGRQHSA-N 254.286 -0.401 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CNC(=O)C1CC1 843973146 JYACIFODFADUIO-VXNVDRBHSA-N 269.301 -0.915 50 20 CBGD COCCO[C@H](C)C(=O)NN=C(C)Cn1cncn1 853313517 DBEWPBASNSSLBN-SNVBAGLBSA-N 269.305 -0.178 50 20 CBGD CC(=O)N[C@@H](CC(=O)NNc1cc(F)ccc1C)C(N)=O 855367366 SFCHVRXJXYGKLG-NSHDSACASA-N 296.302 -0.043 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCCCC2CC2)N1 858233366 MGGPHMKQZROTNK-SECBINFHSA-N 268.317 -0.214 50 20 CBGD C[C@H]1C[C@H](NC(=O)NNC(=O)c2cn[nH]c2)CN1C1CC1 858288973 STAYNDWPPBYKRI-WPRPVWTQSA-N 292.343 -0.021 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H](NC(C)=O)C(C)C 858781440 JSTJLNCJRHTAPQ-SNVBAGLBSA-N 288.348 -0.486 50 20 CBGD COc1cc(C=NNC(=O)CS(C)(=O)=O)ccc1O 863190256 PWCXYPKCYVIAPN-UHFFFAOYSA-N 286.309 -0.105 50 20 CBGD CC[C@H](C)CC(=O)NNC(=O)CS(C)(=O)=O 863464343 CTMVBTCIPCIZGG-ZETCQYMHSA-N 250.320 -0.385 50 20 CBGD CC1(C)C[C@@](C)(NC(=O)c2cccc(B(O)O)c2)C(=O)O1 863883672 IZCIGWINIFHSPA-CQSZACIVSA-N 291.112 -0.420 50 20 CBGD CC[C@@]1(C(=O)NN(C)C(=S)NC)CCNC1=O 868860698 HGMPKWNEYXGDEU-SNVBAGLBSA-N 258.347 -0.630 50 20 CBGD Cn1cnc(C(=O)NNC(=O)C2CCC2)cc1=O 874455301 GXOBSEZHGRUUIY-UHFFFAOYSA-N 250.258 -0.659 50 20 CBGD COC(=O)CC(=O)NNC(=O)Cc1ccncc1 906888223 ARZUHSBEGYLJNI-UHFFFAOYSA-N 251.242 -0.665 50 20 CBGD COc1cccnc1CC(=O)NN(C)C[C@H](C)O 910150111 NJHLKRMSPSICAE-VIFPVBQESA-N 253.302 -0.024 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@@H](CF)C1 916100579 JTWMJAGVKKPDFJ-QMMMGPOBSA-N 269.056 -0.063 50 20 CBGD CCc1cc(C(=O)NNC(=O)C(=O)NC2CC2)n[nH]1 1115839016 SQYAYCSQLWFGQX-UHFFFAOYSA-N 265.273 -0.988 50 20 CBGD CN(C)CC(=O)NN=Cc1ccc(C(=O)N(C)C)[nH]1 1116220392 OVLLHXUMXSLSAI-UHFFFAOYSA-N 265.317 -0.272 50 20 CBGD CCOCC(=O)NNC(=O)NCc1cccnn1 1116825659 QVZOFAIKYXDACR-UHFFFAOYSA-N 253.262 -0.657 50 20 CBGD O=C(CN1CCC(F)(F)[C@H](CO)C1)NNC(=O)C1CC1 1117696567 JLDQBQKZGVQVDE-VIFPVBQESA-N 291.298 -0.507 50 20 CBGD NC(=O)CCCC(=O)NNC(=O)Cc1cccnc1 1256117130 SRQIYKVKJRSIFK-UHFFFAOYSA-N 264.285 -0.573 50 20 CBGD CCS(=O)(=O)CC(=O)NNC(=O)NCC(F)(F)F 1256495461 IMYHPXUGMIRLMG-UHFFFAOYSA-N 291.251 -0.686 50 20 CBGD Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](B(O)O)C1 1261843727 PMJOHCQRIJFSQO-ZETCQYMHSA-N 279.061 -0.134 50 20 CBGD O=C(NNc1nc(-c2cccnc2)no1)C(=O)NC1CC1 1318539971 HOQFGXJQHRYRLK-UHFFFAOYSA-N 288.267 -0.147 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCOC(C)(C)C1 1320413528 AMRNXXNHGLMDGA-ZETCQYMHSA-N 273.289 -0.553 50 20 CBGD CNC(=O)c1cccc(C(=O)NN(C)C(N)=O)n1 1320706346 BJNFYVWUZBLTDT-UHFFFAOYSA-N 251.246 -0.904 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)c1cnc[nH]1 1321137721 YIVWQFRUNIKQJT-UHFFFAOYSA-N 251.168 -0.084 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)CC1OCCCO1 1322417519 NSVKQCMZQPSKOX-UHFFFAOYSA-N 268.273 -0.747 50 20 CBGD NC(=O)c1ccc(NNC(=O)C2CCOCC2)nn1 1322495826 SMZZTBDQQSRUFI-UHFFFAOYSA-N 265.273 -0.555 50 20 CBGD CN(NC(=O)C(=O)Nc1cnnn1C)c1ccccc1 1324171659 VMVDMXOBQJKEQF-UHFFFAOYSA-N 274.284 -0.079 50 20 CBGD COC(=O)C(=O)NN=Cc1ccc(C(=O)OC)n1C 1324473291 IASRWGZACQNNOC-UHFFFAOYSA-N 267.241 -0.565 50 20 CBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CC2(CC2)C1 1330117929 BVNYFNIDUOAFBI-QMMMGPOBSA-N 286.353 -0.241 50 20 CBGD CN(C)c1ncc(C=NNC(=O)[C@H]2CCC(=O)N2)n1C 1330142376 JOSNTAJBSDZFFO-SECBINFHSA-N 278.316 -0.785 50 20 CBGD COCCCNC(=O)NNC(=O)c1nccn2ccnc12 1330313316 BHTLEYBNULMNEB-UHFFFAOYSA-N 292.299 -0.290 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ncnn1C 1332094134 PUGRJRXKABXZMO-XHNCKOQMSA-N 296.331 -0.369 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1n[nH]cc1Br 1348018419 NOZOJFRZIMZVEO-UHFFFAOYSA-N 291.105 -0.296 50 20 CBGD CC1(C)C(C)(C)C1(C(=O)O)C(=O)NNC(=O)c1cnn[nH]1 1589205314 HHFVIIJDMKQBMN-UHFFFAOYSA-N 295.299 -0.297 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CC[C@](O)(C(=O)O)C1 1596860272 IFLJRPOICDFBNE-LXSSAFMLSA-N 254.242 -0.522 50 20 CBGD O=C(O)CN(C(=O)c1cccc(B(O)O)c1)C1CCCC1 1602051793 KDBFXVPSDPGXEO-UHFFFAOYSA-N 291.112 -0.164 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)N[C@]2(C(=O)O)C[C@H](O)C2)cn1 1608109397 JOMMVFYCDRLCEA-HKTAVMJRSA-N 290.279 -0.579 50 20 CBGD Cn1cc(C(=O)NN=Cc2ccc(C(=O)O)[nH]2)nn1 1776092248 FLSHBRYCCLWBLE-UHFFFAOYSA-N 262.229 -0.395 50 20 CBGD CCNC(=O)NNC(=O)c1csc(S(N)(=O)=O)c1 49183330 ADGKFEROOIHABX-UHFFFAOYSA-N 292.342 -0.641 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)Cc2ccc(F)cc2)C1 81229626 OSFRLGNGYIEQOY-LBPRGKRZSA-N 295.314 -0.154 50 20 CBGD O=C(CN1CCCC[C@H]1CCO)NNC(=O)C1CC1 112981763 BEDDQWGQGOGRSN-NSHDSACASA-N 269.345 -0.219 50 20 CBGD COCCN(C)CCCNC(=O)NNC(=O)c1ccc[nH]1 121424688 VOTICBHAONPPTG-UHFFFAOYSA-N 297.359 -0.073 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1OC[C@H]2COCC[C@@H]21 290442836 HXTCRTZYJHGDOV-KXUCPTDWSA-N 285.369 -0.281 50 20 CBGD CCO/C=C(\C#N)C(=O)NNC(=O)[C@@H]1CCCO1 294673476 OYMQQUGCLIKJSR-FLOXNTQESA-N 253.258 -0.243 50 20 CBGD CCCCCOCC(=O)NNC(=O)C(=O)NC(C)C 299368307 HRAHJWOZXGYLKI-UHFFFAOYSA-N 273.333 -0.135 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 373743440 VVWCGWOFBPDKGU-SECBINFHSA-N 297.355 -0.304 50 20 CBGD CCS(=O)(=O)NCC(=O)NN(C)C(=O)OC(C)(C)C 495873911 KMAGUTKANIPAHE-UHFFFAOYSA-N 295.361 -0.176 50 20 CBGD CCN1CCC[C@@H]1CNC(=O)c1cccc(B(O)O)c1 584925902 SLGFOKZJVLJDGA-CYBMUJFWSA-N 276.145 -0.420 50 20 CBGD CC(C)NC(=O)CCNC(=O)c1cc(B(O)O)ccc1F 584930429 JTJHHPRGTWGKJB-UHFFFAOYSA-N 296.107 -0.850 50 20 CBGD COCCOCCCCNC(=O)c1cccc(B(O)O)c1 584937411 TXZSKTGPRDZNIZ-UHFFFAOYSA-N 295.144 -0.461 50 20 CBGD CC(C)(C)[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(N)=O 584941998 PDWROHTWQCCVML-SNVBAGLBSA-N 296.107 -0.865 50 20 CBGD C[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)[C@H](C)CN1C 584968732 DIQXTQGCNMMZLZ-NXEZZACHSA-N 294.135 -0.330 50 20 CBGD CN(CCCCNC(=O)c1ccc(B(O)O)cc1)C1CC1 585000182 ZSWGQAVKFVBOMH-UHFFFAOYSA-N 290.172 -0.029 50 20 CBGD CC(C)CN1CCO[C@@H](CNCc2ccc(B(O)O)o2)C1 585016270 LAHGOEUHLZUWQP-ZDUSSCGKSA-N 296.176 -0.594 50 20 CBGD C[C@@H](Cn1ccnc1)NCc1ccccc1B(O)O 585018553 YHTJOQMIYRPWIM-NSHDSACASA-N 259.118 -0.259 50 20 CBGD CS[C@@H](CO)[C@H](C)NCc1ccccc1B(O)O 585027599 CAFJWHWHNGZQGJ-CABZTGNLSA-N 269.175 -0.432 50 20 CBGD OB(O)c1ccccc1CN[C@H]1CCO[C@@]2(CCOC2)C1 585035774 XYECCRXLHPYGHC-ZFWWWQNUSA-N 291.156 -0.206 50 20 CBGD O=C1CC[C@@H](NCc2ccc(B(O)O)cc2)C2(CCC2)N1 585042160 JYQAVIMZBPPONA-CYBMUJFWSA-N 288.156 -0.343 50 20 CBGD O=C1CC[C@H](NCc2cccc(B(O)O)c2)[C@H](C2CC2)N1 585042640 SUZHAZBLHRBLFX-ZFWWWQNUSA-N 288.156 -0.487 50 20 CBGD O=S(=O)(CCC(F)(F)F)N1CC[C@H](B(O)O)C1 585056912 ZBSJFEIZJBYJBZ-LURJTMIESA-N 275.057 -0.183 50 20 CBGD O=C([C@@H]1CSCCS1)N1CC[C@H](B(O)O)C1 585076863 ZWKFPGQYOOGLIX-YUMQZZPRSA-N 261.177 -0.090 50 20 CBGD COC[C@H](C)NC(=O)NNC(=O)Cc1cccnc1 729041386 PNMUAIXNYGJJLI-VIFPVBQESA-N 266.301 -0.011 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCN2CCC[C@@H]2C1 731280837 FECAPZDUHOJZTJ-GHMZBOCLSA-N 284.360 -0.020 50 20 CBGD CCOC(=O)CC(=O)NNC(=O)c1c[nH]nc1C 732084168 PBCVNYGCANNKRV-UHFFFAOYSA-N 254.246 -0.568 50 20 CBGD CCNC(=O)CCC(=O)NNC(=O)c1c[nH]nc1C 732084312 YDXWNNBNKSJJOC-UHFFFAOYSA-N 267.289 -0.605 50 20 CBGD CNC(=O)[C@H]1CCCN1[C@@H](C)C(=O)NNC(=O)CC(C)C 732198550 WITDNTJKFUKPSQ-WDEREUQCSA-N 298.387 -0.221 50 20 CBGD CN1CCN(CC(=O)NNC(=O)c2ccc[nH]2)CC1 732258628 XRNHBNFXPVTWIL-UHFFFAOYSA-N 265.317 -0.977 50 20 CBGD O=C(CC1CCOCC1)NNC(=O)N1CCOCC1 735271888 DYBFOIBWBYXALM-UHFFFAOYSA-N 271.317 -0.124 50 20 CBGD CCCNC(=O)CCC(=O)NNC(=O)c1cnn(C)c1 735471023 JOLYYHAJIIFHDF-UHFFFAOYSA-N 281.316 -0.513 50 20 CBGD COC[C@H](C)NC(=S)NNC(=O)C(=O)N1CCCC1 748150666 AYYMGBAXNHAWTP-QMMMGPOBSA-N 288.373 -0.861 50 20 CBGD CCO[C@H](C)c1ncc(C(=O)NNC(=O)CO)s1 753438827 SBHDQXWWBXRCEP-ZCFIWIBFSA-N 273.314 -0.006 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H](CC(=O)OC)C1CC1 754519735 HRBVRHLMLXHFNH-WPRPVWTQSA-N 285.344 -0.136 50 20 CBGD CCC(CC)CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758041047 VDGDJZWQKXMNMB-QMMMGPOBSA-N 293.389 -0.102 50 20 CBGD O=S(=O)(CBr)N1CCn2ncnc2C1 770285640 DSPUZZPHPKFFPR-UHFFFAOYSA-N 281.135 -0.224 50 20 CBGD CC(=O)OC(C)(C)C(=O)NNC(=O)c1c[nH]nc1C 779769048 PBUROWNPDRTNFW-UHFFFAOYSA-N 268.273 -0.179 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H]([C@@H](C)O)C1 780359362 SZGLUDLFAFGRCK-IVZWLZJFSA-N 257.334 -0.365 50 20 CBGD COC1CCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 783846557 PXHLZZDIQCBUBG-HNHGDDPOSA-N 291.373 -0.015 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)c2cnn(C)c2)CO1 784112782 ONCBGPHDKMUGSX-SFYZADRCSA-N 252.274 -0.394 50 20 CBGD CC(=O)N[C@H](CC1CCC1)C(=O)NNC(=O)C(C)(C)O 787570450 OTSSKVWDFQFODQ-SNVBAGLBSA-N 285.344 -0.400 50 20 CBGD CCC(=O)NNS(=O)(=O)c1cnn(CC(F)F)c1 790044603 DJDCWSIZHWBCOD-UHFFFAOYSA-N 282.272 -0.132 50 20 CBGD Cn1nncc1C=NNC(=O)c1ccc(O)c(O)c1 794556722 DEUJNMBVKRFYQC-UHFFFAOYSA-N 261.241 -0.010 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)c1ccccn1 814184714 AKWNJWNFXKMMLU-VIFPVBQESA-N 286.295 -0.303 50 20 CBGD CNC(=O)CCCC(=O)NNc1ncncc1F 817080749 ZGJJZVBCLFYFKO-UHFFFAOYSA-N 255.253 -0.025 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)[C@H]1CCCCO1 820936237 IMMHTZSGCWULKL-RKDXNWHRSA-N 269.301 -0.676 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CN1CCOC1=O 824016865 UKGQWXZHIZBCDF-SFYZADRCSA-N 271.273 -0.989 50 20 CBGD CCNC(=O)[C@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@H]1C 825594194 GOABNXQMVWJWDG-CIUDSAMLSA-N 286.332 -0.734 50 20 CBGD CC(=NNC(=O)C1CC1)c1cn(CC(=O)O)nn1 825798450 JUOKMEDUOGVOES-UHFFFAOYSA-N 251.246 -0.387 50 20 CBGD CCn1cnc(C(=O)NNC(=O)c2cnn(C)c2)c1 828087891 PTGPXUDPWDOYIJ-UHFFFAOYSA-N 262.273 -0.289 50 20 CBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)O)oc1C 831348449 OBPAKPAZPNYIFI-UHFFFAOYSA-N 278.242 -0.164 50 20 CBGD CC(C)C[C@H](C(N)=O)C(=O)NNC(=O)[C@@H]1CCCCO1 839781595 UVINKFOPMFWBOM-ZJUUUORDSA-N 285.344 -0.150 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)C[C@H]1CCCO1 842591990 HVIYAZWWEMKNCU-AEJSXWLSSA-N 292.357 -0.459 50 20 CBGD Cc1nccn1CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843971198 PNARROLIYQVXMC-PSASIEDQSA-N 266.301 -0.236 50 20 CBGD COC(=O)Cc1ccc(NNC(=O)Cn2cnnn2)cc1 846370257 HMQAJHLBJFQZCN-UHFFFAOYSA-N 290.283 -0.468 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@@H](C)C(=O)O 848586441 ZXUOSZMXPHNQFN-SFYZADRCSA-N 291.304 -0.911 50 20 CBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CC(=O)N1 854218049 RZVJFYRSLYBIJX-CBAPKCEASA-N 295.270 -0.371 50 20 CBGD Cc1nnc(COCC(=O)NNC(=O)c2cc[nH]n2)s1 855356346 QAFLBIFVQJZGSG-UHFFFAOYSA-N 296.312 -0.453 50 20 CBGD Cc1ccnn1CC(=O)NNC(=O)N1CCN(C)CC1 861570034 GCUKLHIRPBXKHY-UHFFFAOYSA-N 280.332 -0.820 50 20 CBGD CCO/C=C(\C#N)C(=O)N(CCO)CCOCCO 862246927 WEUIKWKMUAYOTB-ZHACJKMWSA-N 272.301 -0.740 50 20 CBGD COC(=O)c1cn(CC(=O)NN[C@@H](C)C(F)(F)F)nn1 862310583 BTQQMQHBXLVLLD-YFKPBYRVSA-N 295.221 -0.364 50 20 CBGD CSCC(C)(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862462224 OPRLMHQVKAZAAA-SSDOTTSWSA-N 273.358 -0.198 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@]1(C)CCCCO1 869905864 SNYROPLLAYJBFD-GFCCVEGCSA-N 274.317 -0.244 50 20 CBGD O=S(=O)(CCCCl)N1CCN2CCOC[C@H]2C1 882062678 DQFGRZNFYZSKOG-SNVBAGLBSA-N 282.793 -0.039 50 20 CBGD CCC[C@@H](NCc1ccccc1B(O)O)C(=O)OC 897834300 MLUZQOZUVYLJSN-GFCCVEGCSA-N 265.118 -0.202 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1c[nH]nc1-c1cnn(C)c1 910161535 VMFMIOFWMRJYPY-QMMMGPOBSA-N 278.316 -0.232 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)N[C@H]2C(=O)NCC2(C)C)cn1 914434781 RIIOIUQCVTVJFZ-INJWIWPUSA-N 287.323 -0.032 50 20 CBGD C[C@H](C(=O)NNC(=O)C1CC1)N1C(=O)CCC1=O 916034535 QHWWPEAURWZPSE-ZCFIWIBFSA-N 253.258 -0.919 50 20 CBGD COC[C@@H](C)NC(=S)NNC(=O)c1cc(C)[nH]n1 917913395 YZGBKSJKROWQJV-SSDOTTSWSA-N 271.346 -0.138 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CC[C@@H](SC)C1 1116182092 UCNOSDRIELKYSX-RNFRBKRXSA-N 275.330 -0.226 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1ccc[nH]1)[C@H]1CCC(=O)N1 1118803812 OUSPWISMEOQLKW-HTQZYQBOSA-N 264.285 -0.310 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc(Cl)nc1 1254889314 YUUNUTHDYDDARX-UHFFFAOYSA-N 256.649 -0.159 50 20 CBGD COCCn1cc(C(=O)NNC(=O)NC(C)C)ccc1=O 1318049145 PAANPDGBZNMONS-UHFFFAOYSA-N 296.327 -0.153 50 20 CBGD CO[C@@H](C)CC(=O)NNC(=O)C(=O)Nc1ccccn1 1319099741 XECJUTPDQJPSRQ-QMMMGPOBSA-N 280.284 -0.408 50 20 CBGD NC(=O)C1(C(=O)NNc2nc(-c3ccncc3)no2)CC1 1321707386 JTXFDIXXDPBQOJ-UHFFFAOYSA-N 288.267 -0.160 50 20 CBGD CC(C)(O)C(=O)NNC(=O)Cn1cc(C2CC2)nn1 1326459863 DOGYACVRUMIXLS-UHFFFAOYSA-N 267.289 -0.926 50 20 CBGD CC(C)c1nocc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329531664 WIDSQDONVCTPDW-QMMMGPOBSA-N 280.284 -0.162 50 20 CBGD C=CCn1cc(C(=O)NNC(=O)NC(C)C)nn1 1329543781 YXRCQPGTINVTQP-UHFFFAOYSA-N 252.278 -0.184 50 20 CBGD C[C@H]1C[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)C[C@@H](C)O1 1336892790 BLDHLLKBDCROOI-DIYOJNKTSA-N 298.343 -0.449 50 20 CBGD Cn1cc(C(=O)NNc2cc(Cl)nc(N)n2)nn1 1347486081 ZWELXOMXPVEZNZ-UHFFFAOYSA-N 268.668 -0.402 50 20 CBGD CC(=NNC(=O)Cc1cc[nH]n1)c1ccc(O)nn1 1347634341 MSEKGXAFWDSGLB-UHFFFAOYSA-N 260.257 -0.012 50 20 CBGD C[C@@H]1COCC[C@@H]1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1348111595 ZWVFOCAZDLNYMV-OPRDCNLKSA-N 298.343 -0.732 50 20 CBGD CO[C@H]1CN[C@@](C)(C(=O)NNC(=O)c2cccn2C)C1 1573960217 HJEITUJUFBHIDX-NOZJJQNGSA-N 280.328 -0.447 50 20 CBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@H]2C[C@@H](N)C2)cc1 1574249953 OOBIAGVLGFHXHN-PHIMTYICSA-N 288.307 -0.178 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)oc1C(=O)O 1600095833 SVOOUYFYDLXTQY-LURJTMIESA-N 295.251 -0.674 50 20 CBGD O=C(CCO)NN=Cc1cc(-c2nn[nH]n2)cs1 1606524166 OPUJXKAHDAPIBG-UHFFFAOYSA-N 266.286 -0.239 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)C2(C(=O)O)CC2)O1 1607463340 JHQKBTKWTQVXHI-BQBZGAKWSA-N 256.258 -0.434 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1)c1cnsn1 1608478925 AMJJWIIIYBKDEW-NTSWFWBYSA-N 284.297 -0.200 50 20 CBGD CC(=O)Nc1ccc(CNC(=O)NNC(=O)C(=O)O)cc1 1609624592 XLYGSUFNFKCCRE-UHFFFAOYSA-N 294.267 -0.440 50 20 CBGD CNC(=O)NNC(=O)CNC(=O)c1cccc(OC)c1 57292299 HSVOJBWJYFZTOA-UHFFFAOYSA-N 280.284 -0.615 50 20 CBGD C[C@H]1C(=O)NCCN1S(=O)(=O)CCCCl 82476407 AIIVJSJIMWYSQC-ZETCQYMHSA-N 254.739 -0.235 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)[C@H](C)CO1 112976692 DWBWXGLRSLKVLF-BDAKNGLRSA-N 255.318 -0.347 50 20 CBGD CN(C)C(=O)CNC(=O)C(=O)NNc1ccccc1Cl 155378903 CHMPBAABVJKIMN-UHFFFAOYSA-N 298.730 -0.013 50 20 CBGD Cn1ccc(CC(=O)NNC(=O)c2cccn2C)n1 180849989 XCTHAWLXYJMJAB-UHFFFAOYSA-N 261.285 -0.238 50 20 CBGD Cc1ccc(NNC(=O)NC[C@@H]2CN(C)CCN2C)nn1 264883656 UCLFLKURBUFRQA-LLVKDONJSA-N 293.375 -0.343 50 20 CBGD COc1cc(C)nc(NNC(=O)CSCC(N)=O)n1 266938518 PBTSESJGMZSOSN-UHFFFAOYSA-N 285.329 -0.545 50 20 CBGD C[C@@H](NC(=S)NNC(=O)C1=NN(C)C(=O)CC1)C1CC1 267563532 BLLOYSIJKZWFQC-SSDOTTSWSA-N 297.384 -0.112 50 20 CBGD O=C(NNC(=O)[C@@H]1CC[C@@H](C(=O)O)O1)c1ccc(O)cc1 276119927 LMQTWHDOBPZMDH-UWVGGRQHSA-N 294.263 -0.215 50 20 CBGD CC(C)[C@H](C(=O)NNc1nnc[nH]1)N1CCCC1=O 293850488 HSFWIHVRQYGSIP-SECBINFHSA-N 266.305 -0.105 50 20 CBGD CCO/C=C(/C#N)C(=O)NC[C@@]1(O)CCN(C)C1 490875727 IUQGEIOBDSHVAO-UMAGTOLTSA-N 253.302 -0.387 50 20 CBGD C[C@@H]1CN(C)C[C@@H]1C(=O)Nc1cccc(B(O)O)c1 584912925 XTSXGLVTIURFCY-SKDRFNHKSA-N 262.118 -0.497 50 20 CBGD O=C(N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO)c1ccc(B(O)O)cc1 584962832 LBCMMDQOIWMZNC-AUZPSNTRSA-N 289.140 -0.497 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@@H]2OC[C@@H]2C1 585005736 LUJCXPVCRUDHOS-UFBFGSQYSA-N 279.076 -0.634 50 20 CBGD CN(C)c1ccc(CNCc2ccc(B(O)O)o2)cn1 585017643 GISPQXNUKVATHK-UHFFFAOYSA-N 275.117 -0.290 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1)C(=O)NC1CCCC1 585021235 HRACNZPSIGZNAQ-NSHDSACASA-N 290.172 -0.097 50 20 CBGD O=S(=O)(NCB(O)O)c1cnn(-c2ccccc2)c1 585055775 IYBYQULMFDYXQA-UHFFFAOYSA-N 281.102 -0.837 50 20 CBGD Cc1nc(-c2ccc(S(=O)(=O)NCB(O)O)cc2)co1 585055835 JTMBKALBXRSZBF-UHFFFAOYSA-N 296.113 -0.060 50 20 CBGD O=C(NCB(O)O)c1cnn(-c2ccccc2F)c1 585061862 KIQQNBAXYWNSBE-UHFFFAOYSA-N 263.037 -0.247 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H]2CNC[C@H]2C1 732198396 PHJLBQDTPVUZNY-GUBZILKMSA-N 254.334 -0.917 50 20 CBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)cn1)c1ccoc1 738136120 FRDVGJZEWZOYPQ-UHFFFAOYSA-N 299.250 -0.071 50 20 CBGD CC(C)Cn1nnnc1SCC(=O)NNC(=O)C1CC1 742452476 TXYHTAPGECNIPU-UHFFFAOYSA-N 298.372 -0.021 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1nccn2ccnc12 746176959 BRXHQRYJOVLYOZ-UHFFFAOYSA-N 290.283 -0.584 50 20 CBGD CC(=O)NCC(=O)NNC(=O)NCCc1cccs1 755236821 APDLRMBOQTTZLK-UHFFFAOYSA-N 284.341 -0.243 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)C1CCOCC1 755890084 OZTVXUMKVPBFSD-VIFPVBQESA-N 291.373 -0.157 50 20 CBGD COC1(C=NNC(=O)CN2CCCC2=O)CCOCC1 761778418 RFIXLLNYQBCSII-UHFFFAOYSA-N 283.328 -0.094 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCNC(=O)c1cccs1 768245726 FPSCZFYRMAIUKN-UHFFFAOYSA-N 299.352 -0.214 50 20 CBGD CNS(=O)(=O)CCNC(=O)NNc1ccc(F)cn1 784130356 VGWBKPOUUQNVST-UHFFFAOYSA-N 291.308 -0.604 50 20 CBGD Cn1nc([C@@H]2CCCO2)cc1NC(=O)NNC(=O)CO 788726873 CJPCAKLUBPTDSB-QMMMGPOBSA-N 283.288 -0.583 50 20 CBGD Cc1cccc(C(=O)NNC(=O)c2cnn(C)n2)n1 791049597 LPOPYISGOZXKFZ-UHFFFAOYSA-N 260.257 -0.407 50 20 CBGD CSSCCNC(=O)c1cn(CC(N)=O)nn1 791150610 ONTPMTBTUYBYRT-UHFFFAOYSA-N 275.359 -0.496 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CCCCNC(N)=O)n1 794075853 QTRNEGLELVAZKZ-UHFFFAOYSA-N 293.327 -0.010 50 20 CBGD Cn1c(=O)ccn(CC(=O)NCCCSC#N)c1=O 816539027 PLDLJFNVQGCWIL-UHFFFAOYSA-N 282.325 -0.732 50 20 CBGD CNC(=O)NNC(=O)[C@@H](CS(C)(=O)=O)c1ccccc1 823429690 CJCCKIWQBZMPAJ-JTQLQIEISA-N 299.352 -0.225 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 823976333 BXKZUPGTDVCOTA-WDEREUQCSA-N 295.339 -0.028 50 20 CBGD COC(=O)c1ccc(C(=O)NN(C)C[C@@H](C)O)[nH]1 824185786 DFRHCQKYHSZALL-SSDOTTSWSA-N 255.274 -0.241 50 20 CBGD CCCn1nccc1C(=O)NNC(=O)C(=O)N1CCCC1 824877173 KQJBVVKBHAOOJF-UHFFFAOYSA-N 293.327 -0.324 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N2)c(OC)c1 826646438 DHQJXTQFUKSARL-SECBINFHSA-N 293.279 -0.647 50 20 CBGD CCOCC(=O)NN[C@H](C(=O)O)c1cccnc1 829939985 QMPZSLZYXZDIGO-JTQLQIEISA-N 253.258 -0.135 50 20 CBGD C=CCn1cc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC)nn1 830121032 ZFMGBODRAWWLOU-QMMMGPOBSA-N 295.299 -0.433 50 20 CBGD COc1ccc(NNC(=O)C2(n3cnnn3)CC2)nc1 832645016 HKOGRDBQCOXMAG-UHFFFAOYSA-N 275.272 -0.291 50 20 CBGD O=CN1CCC[C@H]1C(=O)NNc1nc2ccccn2n1 834352234 UZSYIUZFDGWMNG-VIFPVBQESA-N 274.284 -0.207 50 20 CBGD O=C(CC1CCCC1)NNC(=O)[C@H]1CCS(=O)(=O)N1 846632864 FJNPXZNLJZPZKN-SECBINFHSA-N 289.357 -0.594 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)N1 846633572 AVCKYPSLQBEXNU-ZETCQYMHSA-N 277.346 -0.738 50 20 CBGD O=C(CN1CCn2cncc2C1)NNC(=O)C1CC1 852065039 HJGFHWOXBVTOIF-UHFFFAOYSA-N 263.301 -0.744 50 20 CBGD O=C1C[C@H](C(=O)NNc2ncc(Br)cn2)N1 855054006 YFVBQSNBAJAALM-RXMQYKEDSA-N 286.089 -0.429 50 20 CBGD C[C@@H](NC(=S)NNC(=O)Cn1cncn1)C1CC1 855103384 UMDLVGMQIIIAKH-SSDOTTSWSA-N 268.346 -0.428 50 20 CBGD CC[C@H](C(=O)NNC(=O)c1cc[nH]n1)N1CCCC1=O 855358192 BLSHRXLWDXMSMY-SECBINFHSA-N 279.300 -0.428 50 20 CBGD O=C(NNc1ncc(Cl)cn1)[C@@H]1CN2CCCN1CC2 857357089 GTLFRDNQEPWTOP-JTQLQIEISA-N 296.762 -0.037 50 20 CBGD C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862455484 ORYSGFKRIOPAQO-AEJSXWLSSA-N 282.344 -0.715 50 20 CBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cc2n(n1)CCC2 863151624 PSBZWLWNSMGKAJ-JTQLQIEISA-N 275.312 -0.052 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C1(c2ccccc2)CC1 863459695 YBIJXFSFVVVMGV-UHFFFAOYSA-N 296.348 -0.090 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C1[C@H]2CCCC[C@H]12 863463194 UTGGZJCQMICXOU-YUMQZZPRSA-N 274.342 -0.385 50 20 CBGD CC(C)(C(=O)NNC(=O)CS(C)(=O)=O)C1CC1 863465501 ACENHEATQVBYLZ-UHFFFAOYSA-N 262.331 -0.385 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cnc(Cl)cn2)N1 863934658 GGNCDELUGYRDMQ-YFKPBYRVSA-N 283.675 -0.830 50 20 CBGD CN1C[C@@H](O)C[C@]1(C)C(=O)NNC(=O)OC(C)(C)C 899926636 VWBFNIGJACIHMH-QPUJVOFHSA-N 273.333 -0.003 50 20 CBGD CS/C=C/C(=O)NNC(=O)CN1CCCC1=O 913731286 BNQXQJKTIQPIMD-GQCTYLIASA-N 257.315 -0.367 50 20 CBGD CC(C)CO[C@@H](C)C(=O)NNC(=O)C(=O)NC(C)C 917621676 BJPYBUZRWRSCBN-VIFPVBQESA-N 273.333 -0.281 50 20 CBGD CCCNC(=O)NNC(=O)[C@H]1CCCN(C(C)=O)C1 921042283 LEVWMZBWQJXXMW-JTQLQIEISA-N 270.333 -0.015 50 20 CBGD CC(=O)NNC(=O)c1nc(S(C)(=O)=O)n2ccccc12 921203303 XMDSISRDDFRSSN-UHFFFAOYSA-N 296.308 -0.481 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@@H]1CCN1C 925430946 RHHOXAXBOLEPBS-LPEHRKFASA-N 270.333 -0.554 50 20 CBGD Cn1nccc1S(=O)(=O)NNC(=O)c1ccccn1 1115966806 GHRAXSBJSMLCPB-UHFFFAOYSA-N 281.297 -0.562 50 20 CBGD CNC(=O)NNC(=O)COCc1nnc(C)s1 1117135355 MKKIVUVBRNWONL-UHFFFAOYSA-N 259.291 -0.677 50 20 CBGD CC(C)(C)c1ccc(NC(=O)NNC(=O)CO)nn1 1321038158 RZRGUDPPBAGAIW-UHFFFAOYSA-N 267.289 -0.081 50 20 CBGD Cc1cnc(COCC(=O)NNC(=O)NC2CC2)o1 1322051204 KNVQJRGSSRTRSW-UHFFFAOYSA-N 268.273 -0.008 50 20 CBGD Cc1cnn(C)c1S(=O)(=O)NNC(=O)c1ccc[nH]1 1345378319 RMARWHSFNFHSEM-UHFFFAOYSA-N 283.313 -0.320 50 20 CBGD CC(C)(O)C(=O)NNC(=O)C1([C@@]2(O)CCCNC2)CCC1 1575378934 VBHYAAFRMMMXSF-CQSZACIVSA-N 299.371 -0.811 50 20 CBGD C[C@@H]1Cn2nc(C(=O)NNc3ccncn3)cc2CN1 1576871749 QLEVFCUCKCYSHL-MRVPVSSYSA-N 273.300 -0.078 50 20 CBGD N[C@@H](Cc1ccncc1)C(=O)NNC(=O)[C@H]1CCCCO1 1580369385 ZYGANLWUBOFZNT-NWDGAFQWSA-N 292.339 -0.332 50 20 CBGD Cc1nnc(NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1C 1592449598 UWSPNNODHJBBAS-UHFFFAOYSA-N 288.275 -0.611 50 20 CBGD Cc1sc(C(=O)O)cc1NC(=O)NNC(=O)CO 1600873673 IRSIAPANWPZSFX-UHFFFAOYSA-N 273.270 -0.100 50 20 CBGD Cn1c(C=NNC(=O)C(C)(C)O)ccc1C(=O)O 1600911307 FDIVIWPHIZUFOH-UHFFFAOYSA-N 253.258 -0.056 50 20 CBGD O=C(O)CNC(=O)NN=Cc1ccc(O)cc1O 1602072069 MNVVPBGBKUPEPW-UHFFFAOYSA-N 253.214 -0.185 50 20 CBGD O=C(O)Cn1ccc(NC(=O)NNc2ccncn2)n1 1602165371 ITTFRTPUAFGIHW-UHFFFAOYSA-N 277.244 -0.094 50 20 CBGD O=C(O)c1cccc(C(=O)N2CC[C@@H](B(O)O)C2)n1 1602432578 WMQSTYGNKFXQRU-SSDOTTSWSA-N 264.046 -0.531 50 20 CBGD CCN(C(=O)c1cccc(B(O)O)c1)[C@H](C)C(=O)O 1603714641 QZYAZDPVYGVEIY-MRVPVSSYSA-N 265.074 -0.698 50 20 CBGD O=C(O)C(=O)NN=Cc1ccc(O)c(C(=O)O)c1 1608530907 LYMFUXPPZUNCQG-UHFFFAOYSA-N 252.182 -0.375 50 20 CBGD CCc1cccc(NC(=O)C(=O)NNC(=O)C(=O)O)c1 1610068014 RZSJAVKPIGOTCH-UHFFFAOYSA-N 279.252 -0.581 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H](C)n2cccn2)[nH]n1 269075770 UYPSWXXQXZOBDO-MRVPVSSYSA-N 262.273 -0.063 50 20 CBGD C#Cc1ccccc1CC(=O)NNC(=O)C(=O)NC1CC1 289397406 RWCVYRCNBJARHN-UHFFFAOYSA-N 285.303 -0.364 50 20 CBGD CN(C)C(=O)NNC(=O)CN1C(=O)NC2(CCCC2)C1=O 299402399 WGTAVYOTKOUXNZ-UHFFFAOYSA-N 297.315 -0.847 50 20 CBGD COC(=O)[C@H](CO)NC(=O)/C(C#N)=C\c1ccc(O)cc1 491050432 PSPVDFKEPIXFNN-GYGFLDJKSA-N 290.275 -0.051 50 20 CBGD C=CCN(CCOC)C(=O)c1ccc(B(O)O)c(F)c1 584981448 WNQROXMSFRFGFV-UHFFFAOYSA-N 281.092 -0.220 50 20 CBGD O=C(N[C@H]1CCC[C@H]1CO)c1ccc(B(O)O)c(F)c1 584998179 BQWANZRKZFHOTC-CABZTGNLSA-N 281.092 -0.604 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H]2C[C@H]1CS2 585001907 HTVMWUUWWDETRX-IUCAKERBSA-N 281.117 -0.165 50 20 CBGD C[C@H](Cn1cccn1)NCc1cccc(B(O)O)c1 585018250 SZXBAIJIOTYCBU-LLVKDONJSA-N 259.118 -0.259 50 20 CBGD CN(C)[C@@H](CNCc1ccc(B(O)O)o1)c1cccnc1 585033273 CEXJYLAETPKLBA-ZDUSSCGKSA-N 289.144 -0.253 50 20 CBGD CO[C@H](CNCc1ccc(B(O)O)o1)[C@@H]1CCOC1 585045142 CHVLEWNCQUJZTA-MWLCHTKSSA-N 269.106 -0.900 50 20 CBGD Cc1ccc(-n2nnc(C(=O)NCB(O)O)c2C)cc1 585063078 YWRPDACIISTWIV-UHFFFAOYSA-N 274.089 -0.374 50 20 CBGD NC(=O)c1csc(CN2CC[C@H](B(O)O)C2)c1 585076645 OZRIOEYYOGGKSH-QMMMGPOBSA-N 254.120 -0.104 50 20 CBGD CCNC(=O)CN(C)[C@H](C)C(=O)NNC(=O)CC(C)C 732197246 DWRBTUROHDHVMO-SNVBAGLBSA-N 286.376 -0.364 50 20 CBGD O=C(O)NNS(=O)(=O)c1ccc(C(=O)O)c(F)c1 740002964 KNGQCTNJIAOSKJ-UHFFFAOYSA-N 278.217 -0.015 50 20 CBGD CC(C)n1ccc(CC(=O)NNC(=O)CN(C)C)n1 743333368 OXYIVXRERSKLLQ-UHFFFAOYSA-N 267.333 -0.285 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cnn(C)c1)c1cnn(C)c1 750003668 JOJYYQHCDYDFEE-MRVPVSSYSA-N 276.300 -0.282 50 20 CBGD N#CC1=CCN(C(=O)C2=NN(CCO)C(=O)CC2)CC1 760003590 LZBFTJQOYCNPEC-UHFFFAOYSA-N 276.296 -0.361 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCNC(=O)C2)o1 760719638 OTIGDNLVSBGXNE-QMMMGPOBSA-N 265.269 -0.125 50 20 CBGD CCc1cccnc1C(=O)NNC(=O)C(=O)NC(C)C 766557081 YFNDBDZNKPWBEX-UHFFFAOYSA-N 278.312 -0.070 50 20 CBGD C[C@H]1CCN(S(=O)(=O)NNC(=O)NCC2CC2)C1 777929536 WNBNEJUXLRNYMZ-QMMMGPOBSA-N 276.362 -0.213 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)Cc2ccncc2)C1 788449658 BZDNEMQYMLLBJY-UHFFFAOYSA-N 276.296 -0.750 50 20 CBGD CCN(CC(N)=O)CC(=O)NNC(=O)c1cccc(C)c1 789519235 ZGNSKMKCTLNIFW-UHFFFAOYSA-N 292.339 -0.437 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CCn2cnccc2=O)o1 794375273 QDTGJLPQVTUMCA-UHFFFAOYSA-N 290.279 -0.004 50 20 CBGD O=C(CN[C@H]1CCC[C@@H]1CCO)NNC(=O)C1CC1 794576235 IPLVHMPCWGNVHQ-KOLCDFICSA-N 269.345 -0.316 50 20 CBGD C[C@@H]1CCNC(=O)[C@@H]1NS(=O)(=O)CBr 799826195 DIAKOEXIKCWOFM-PHDIDXHHSA-N 285.163 -0.217 50 20 CBGD CCCn1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)nn1 802028580 DCLHPGLSORUFKK-UHFFFAOYSA-N 289.299 -0.029 50 20 CBGD Cc1[nH]nc(C(=O)NNC(=O)N=c2cc[nH]cc2)c1O 802033770 NQUKGAQAFYVRLH-UHFFFAOYSA-N 276.256 -0.293 50 20 CBGD CN1CCN(C(=O)NNC(=O)Cc2ccc(F)cn2)CC1 807381093 CKFHVUGUCWBGKF-UHFFFAOYSA-N 295.318 -0.249 50 20 CBGD O=C(C[C@@H]1CCCC(=O)N1)NNC(=O)NC1CC1 813423598 ICUUVHAJBSXGER-QMMMGPOBSA-N 254.290 -0.462 50 20 CBGD CC(C)NC(=O)CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 825566712 NZIZCWGBVVFHLE-RKDXNWHRSA-N 286.332 -0.734 50 20 CBGD CCN1CC[C@H](NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1=O 826732745 QPNLGNRSAHXRDC-AEJSXWLSSA-N 298.343 -0.637 50 20 CBGD CSCCNC(=S)NNC(=O)[C@H]1NC(=O)O[C@H]1C 841414836 FWVIRTTWKAISMX-WDSKDSINSA-N 292.386 -0.658 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NN=C1CCS(=O)(=O)C1 842553704 FZXGZOALXIECLB-CBAPKCEASA-N 260.315 -0.298 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H](C)n1cncn1 843645026 QDJJKIPZGVRWTB-VGMNWLOBSA-N 267.289 -0.589 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)NCCN1CCCC1=O 845476806 YBSBTDGUQSOJLT-UHFFFAOYSA-N 296.249 -0.108 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(c2ncc[nH]2)CC1 846876585 BFISLUGTEBROHZ-SNVBAGLBSA-N 294.359 -0.522 50 20 CBGD CC(C)(CO)C(=O)NNC(=O)Cc1ccncc1 847545144 XTTWFGHHBPKSRA-UHFFFAOYSA-N 251.286 -0.210 50 20 CBGD CCOCCOC[C@@H](O)CNS(=O)(=O)CCl 849390665 RSHBEEJXYXROHB-QMMMGPOBSA-N 275.754 -0.484 50 20 CBGD O=CN1CCC[C@@H]1C(=O)NNc1ncncc1F 854609102 KWFYBOYZKFRRKH-MRVPVSSYSA-N 253.237 -0.320 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H](O)c1cccnc1 854921644 VCDQROAHZDYPIH-QMMMGPOBSA-N 254.315 -0.418 50 20 CBGD C[C@@H](NC(=S)NNC(=O)Cn1cccnc1=O)C1CC1 855103345 QRAQNADEUVNOAC-MRVPVSSYSA-N 295.368 -0.463 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)OCC(F)(F)F 856024666 FCYSITGSJVYDGY-UHFFFAOYSA-N 283.206 -0.072 50 20 CBGD Cc1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 860799563 LYSMJQQSGRREIK-SECBINFHSA-N 277.284 -0.179 50 20 CBGD CCc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1O 862457230 DNDORKYSKUBOLA-SNVBAGLBSA-N 291.307 -0.006 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)C2(F)CCCC2)N1 862460246 DUQMOGQKJDYGQS-ZETCQYMHSA-N 257.265 -0.305 50 20 CBGD Cc1cc(=NNC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)cc[nH]1 862514544 QDIWITOVGHPRII-BXKDBHETSA-N 292.339 -0.469 50 20 CBGD C[C@@H]1CC[C@@H](CCC(=O)NNC(=O)CS(C)(=O)=O)O1 863462470 DJRFZXYMYZVMTA-BDAKNGLRSA-N 292.357 -0.474 50 20 CBGD Cc1cc(C(=O)NNC(=O)CS(C)(=O)=O)cnc1F 863465877 LFESDSSIDAZRFD-UHFFFAOYSA-N 289.288 -0.665 50 20 CBGD CC[C@H](NC(C)=O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 869067755 HAQLDYDKEZNXLY-JEZHCXPESA-N 271.317 -0.527 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1cccnn1 882056428 ULHYQNHIBOBUDK-MRTMQBJTSA-N 262.269 -0.195 50 20 CBGD C#CCSCC(=O)NNC(=O)c1c[nH]nc1C 896246122 DEZCNLSCULMVMC-UHFFFAOYSA-N 252.299 -0.154 50 20 CBGD O=C(NNC(=O)c1cccn2c(O)nnc12)NC1CC1 1116511855 CTVSOLODHKWSCE-UHFFFAOYSA-N 276.256 -0.459 50 20 CBGD CNC(=O)C(=O)NNc1ccc(C(=O)OC)cn1 1117072363 LPWIUYAKNTYKNU-UHFFFAOYSA-N 252.230 -0.943 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cn(C)nn1 1118275799 ZTXYWIKDKAOGAJ-NKWVEPMBSA-N 253.262 -0.999 50 20 CBGD Cc1cnc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 1118860318 MFNLYTXZNSCCHU-ZETCQYMHSA-N 297.340 -0.439 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1conc1C1CC1 1118955192 ZGSGOYCVBJCTPA-UHFFFAOYSA-N 287.297 -0.642 50 20 CBGD CN(C)N(C(=O)[C@@H]1C[C@@H]1F)[C@H]1CCS(=O)(=O)C1 1123832401 YSRHMCBNNAUYIZ-YIZRAAEISA-N 264.322 -0.163 50 20 CBGD CCn1ccnc1C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1253647041 QFTATRCFFPPAKU-SECBINFHSA-N 299.356 -0.277 50 20 CBGD CSCC[C@H](NC(N)=O)C(=O)NNC(=O)CC1CC1 1261824602 CZCWGRHMHQACHM-QMMMGPOBSA-N 288.373 -0.276 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1C[C@@]12CCOC2 1325516440 QHUFPMBEKZIPOT-BXKDBHETSA-N 264.285 -0.474 50 20 CBGD COCC#CC(=O)NNC(=O)OCC(F)(F)F 1328829151 VOYFSPIREZLHOZ-UHFFFAOYSA-N 254.164 -0.044 50 20 CBGD C[C@H](NNC(=O)CCS(C)(=O)=O)C(F)(F)F 1329064721 WYPYBSOHQHLLNA-YFKPBYRVSA-N 262.253 -0.007 50 20 CBGD Cc1oc(C#N)cc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329079191 UZWRNWSJNLEKPN-VIFPVBQESA-N 276.252 -0.501 50 20 CBGD NC(=O)Nc1cccc(C(=O)N2CC[C@H](B(O)O)C2)c1 1329215983 SLMDYFNRBPJKNK-VIFPVBQESA-N 277.089 -0.134 50 20 CBGD O=C(Cc1ncc[nH]1)NNC(=O)NCC(F)(F)F 1331171652 WRMWLMJVMCYQFU-UHFFFAOYSA-N 265.195 -0.155 50 20 CBGD C#CCCCC(=O)NNC(=O)C1(CO)CCOCC1 1335331888 SKGKZXATDWRUMP-UHFFFAOYSA-N 268.313 -0.274 50 20 CBGD C[C@H](CNC(=O)NNc1cccnn1)S(C)(=O)=O 1335665540 CMRQOWOKXKCUKC-SSDOTTSWSA-N 273.318 -0.464 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1nnnn1C 1521807915 WPQMBVRWWFLIAJ-BIIVOSGPSA-N 297.319 -0.974 50 20 CBGD CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1cnn(C)n1 1549313122 GVRRMDPEEASRTH-CMPLNLGQSA-N 292.343 -0.482 50 20 CBGD CCCN(CCC)CCCC(=O)NNC(=O)CN 1577516405 PDECHRNHZLQZCM-UHFFFAOYSA-N 258.366 -0.005 50 20 CBGD C[C@@H]1[C@H](C(=O)NNC(=O)C2CCNCC2)CCN1C 1579471485 LCZKCUGMIJRFAM-MWLCHTKSSA-N 268.361 -0.526 50 20 CBGD O=C(NNC(=O)[C@H]1CCN1)c1cccc2oc(O)nc12 1580733171 OHPGRBOTILYKLR-SSDOTTSWSA-N 276.252 -0.344 50 20 CBGD COCCN(CCC(=O)O)CC(=O)NNC(=O)C(C)C 1594011071 GNIFLCMBZVVMQJ-UHFFFAOYSA-N 289.332 -0.787 50 20 CBGD CON(C(=O)c1ccc(B(O)O)cc1)[C@@H](C)CC(=O)O 1599312688 VBQABRYZQWLIEJ-QMMMGPOBSA-N 281.073 -0.767 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1C[C@H]1C(=O)O 1601556285 VUJVICQKNPIGBY-JGVFFNPUSA-N 264.241 -0.623 50 20 CBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=O)NCc1ccco1 1604463195 AWDSZMOYZZLYON-LLVKDONJSA-N 285.256 -0.400 50 20 CBGD O=C(O)CCCCC(=O)NNC(=O)c1ncccn1 1606141947 DKYDRZGZTGCLPB-UHFFFAOYSA-N 266.257 -0.117 50 20 CBGD CC(=O)NNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 45826850 VFXOYWLINWQUFI-UHFFFAOYSA-N 294.267 -0.118 50 20 CBGD CCNC(=O)NNC(=O)CCNC(=O)CC(C)C 161829749 DBNDSEZITLNMCN-UHFFFAOYSA-N 258.322 -0.111 50 20 CBGD O=C(NNC(=O)c1ccc[nH]1)N[C@H]1CC(=O)N(C2CC2)C1 177607014 GLJYDHVPLIVDGO-QMMMGPOBSA-N 291.311 -0.278 50 20 CBGD Cn1cc(C(=O)NNS(=O)(=O)N2CCCCC2)cn1 266002232 DXWVXBXXNJJCPU-UHFFFAOYSA-N 287.345 -0.615 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1CN(C)CCO1 274118482 SDTXJFPRMRVJAH-QMMMGPOBSA-N 267.289 -0.741 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCO1)c1ccnc2[nH]cnc12 294744703 VKBUZJYCQZUWDG-QMMMGPOBSA-N 275.268 -0.102 50 20 CBGD COC(=O)NNS(=O)(=O)c1ccc2nc(O)[nH]c2c1 490617069 WYOCNFPSVBKNTA-UHFFFAOYSA-N 286.269 -0.182 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC2(CCOCC2)C1 584972468 XRUWWWJBTXAPNO-UHFFFAOYSA-N 293.103 -0.242 50 20 CBGD CN(CCN(C)C1CC1)C(=O)c1ccc(B(O)O)c(F)c1 584977289 LPNJNHOGVXAZGO-UHFFFAOYSA-N 294.135 -0.328 50 20 CBGD CC1(C)[C@@H](NCc2ccc(B(O)O)cc2F)C[C@H]1O 585036893 ROBUPJUYZQTORL-NWDGAFQWSA-N 267.109 -0.246 50 20 CBGD O=C(NCB(O)O)c1ccc(CN2CCSCC2)cc1 585061571 VSVOKGFWJINAIK-UHFFFAOYSA-N 294.185 -0.023 50 20 CBGD C[C@]12CCC(=O)N1[C@@H](C(=O)N1CC[C@H](B(O)O)C1)CS2 585073532 YQMPEWAKFQZCLG-SBMIAAHKSA-N 298.173 -0.484 50 20 CBGD CSCCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 726278939 PBSCJBMKSUYDLK-VIFPVBQESA-N 281.403 -0.270 50 20 CBGD CC(=O)NC(C)(C)C(=O)NNC(=O)c1cccn1C 726767991 GVVKCRXCDWDNCH-UHFFFAOYSA-N 266.301 -0.299 50 20 CBGD CCOCCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 742421058 HGZUVSRIQNZAKM-MRVPVSSYSA-N 272.305 -0.978 50 20 CBGD Cc1cc(C(=O)NNC(=O)N2CCOCC2)nn1C 745996327 SSKLIQPMHOXBJN-UHFFFAOYSA-N 267.289 -0.585 50 20 CBGD O=C(CCN1CCOCC1)NNC(=O)NCC1CC1 751370597 GDRZXRQHARJGIJ-UHFFFAOYSA-N 270.333 -0.551 50 20 CBGD Cn1cncc1C=NNC(=O)CNC(=O)c1ccco1 755679656 SWJPWNAJAFEIIV-UHFFFAOYSA-N 275.268 -0.107 50 20 CBGD COCC(=O)NNC(=O)Nc1cnn(C[C@H]2CCCO2)c1 756737862 CKABGSDAWPKNBU-SNVBAGLBSA-N 297.315 -0.139 50 20 CBGD Cc1cc(C(=O)NNC(=O)Nc2cccnn2)n[nH]1 757660706 HZGFHRZQUZPKGZ-UHFFFAOYSA-N 261.245 -0.025 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1ccccc1Cl 764428063 BQBJTASCPUGFKU-UHFFFAOYSA-N 271.660 -0.582 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1CCNC(=O)C1 764465397 XMYDJNSFXPAPCN-SSDOTTSWSA-N 265.273 -0.546 50 20 CBGD COC(=O)NNC(=O)c1ccc(-n2cnnn2)c(C)c1 765846583 MRIJVLMUZNVLLB-UHFFFAOYSA-N 276.256 -0.028 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@](C)(O)C1 767018421 PZNOPGUJKZPKSB-CABZTGNLSA-N 257.334 -0.221 50 20 CBGD Cc1[nH]nc2ncc(C(=O)NNC(=O)C(C)(C)O)cc12 768246028 IDVOQFSKZOGGKO-UHFFFAOYSA-N 277.284 -0.202 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)NCc2ccco2)C1=O 772412194 RTJAKHKFLPSGCX-SECBINFHSA-N 280.284 -0.412 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)c2cccn2C)on1 777795883 LGPJGEAJGIEJAL-UHFFFAOYSA-N 292.251 -0.126 50 20 CBGD COC(=O)CNC(=O)NN=C1C(=O)Nc2ccc(F)cc21 779817595 SPIZGMHZICVRRB-UHFFFAOYSA-N 294.242 -0.046 50 20 CBGD COc1cccc(NNC(=O)Cn2cccnc2=O)n1 781025982 ZWIVBQDISDGJMR-UHFFFAOYSA-N 275.268 -0.210 50 20 CBGD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNc1ccnc(F)c1 781368729 UCVWMRQOHOSWHF-RDDDGLTNSA-N 296.302 -0.061 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)CCCC(=O)OCC 782477096 GMRREUDLRPUZDW-UHFFFAOYSA-N 295.361 -0.175 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@](C)(C(=O)NC)C1 797525334 IPZIMSGJAQUHFY-ZANVPECISA-N 284.360 -0.610 50 20 CBGD Cn1cnc(C(=O)NNC(=O)COc2ccccc2O)n1 810364716 GFDVIFPJUUYPGZ-UHFFFAOYSA-N 291.267 -0.639 50 20 CBGD CN1CCN(CC(=O)NNC(=O)CC2CC2)CC1 819109842 LYGLSTOGWPPUAX-UHFFFAOYSA-N 254.334 -0.819 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H](CCC)S(N)(=O)=O 823756129 UQBSDPFIOMDXIV-MRVPVSSYSA-N 294.377 -0.426 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CCCN1C(=O)CCC1=O 823970328 FBFKQNOTKRILNK-VIFPVBQESA-N 271.317 -0.741 50 20 CBGD CC(C)C(=O)NNC(=O)CN(C1CC1)C1COC1 830240969 ZUHXQUTUMXWBOR-UHFFFAOYSA-N 255.318 -0.347 50 20 CBGD CN(C)CCS(=O)(=O)c1ccccc1C(=O)NN 843450578 RTUZAUGQEZMQGY-UHFFFAOYSA-N 271.342 -0.375 50 20 CBGD CO[C@@](C)(C(=O)NNC(C)=O)C(=O)OC(C)(C)C 854155117 FZPUBINAYSBVIJ-NSHDSACASA-N 260.290 -0.100 50 20 CBGD COC(=O)COCC(=O)NNc1ncncc1F 854609620 SJUWFOLXDNFJGM-UHFFFAOYSA-N 258.209 -0.752 50 20 CBGD CC(C)[C@@H](C(=O)NNC(=O)c1cn[nH]c1)N1CCCC1=O 862473925 CQQURKUCMPCVNB-NSHDSACASA-N 293.327 -0.182 50 20 CBGD CC1(C)C[C@](C)(NC(=O)c2ccc(B(O)O)cc2)C(=O)O1 863883732 KZMQRGDSEXYEOU-AWEZNQCLSA-N 291.112 -0.420 50 20 CBGD CSCCNC(=S)NNC(=O)Cc1nc[nH]n1 867162305 KPVXSLOJIPSXKH-UHFFFAOYSA-N 274.375 -0.795 50 20 CBGD C#CCO[C@@H](C)C(=O)NNC(=O)Cc1cc(C)[nH]n1 869017935 VHRBWACPAXOEES-VIFPVBQESA-N 264.285 -0.554 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(F)CCOCC1 869728909 WZODHXIFGGTURJ-MRVPVSSYSA-N 290.291 -0.006 50 20 CBGD COCCOCC(=O)NNC(=O)c1cn2ccccc2n1 869912158 PZKAOVFQUBKBED-UHFFFAOYSA-N 292.295 -0.242 50 20 CBGD C=CCOC[C@H](NCc1cccc(B(O)O)c1)C(=O)O 901810593 MHXZHINENYVJPB-LBPRGKRZSA-N 279.101 -0.888 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cnn(C(C)C)c1 1116126640 SPQUNYANPJXCRA-UHFFFAOYSA-N 261.307 -0.414 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1nc[nH]n1 1118218979 RBXXSUFBZMOXAX-HTQZYQBOSA-N 267.289 -0.690 50 20 CBGD CC1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCOCC1 1118884608 KWMOWIOXSMQOTQ-MRVPVSSYSA-N 269.301 -0.771 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCCN(C(N)=O)CC1 1253338444 QJEKHXZJGOQDMW-SECBINFHSA-N 285.348 -0.981 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)[nH]1 1253485967 ZNQHSVOCCBSNJA-SSDOTTSWSA-N 296.308 -0.918 50 20 CBGD O=C(O)COc1ccccc1C=NNC(=O)CCO 1319364639 HOTKVRHFTMWLQI-UHFFFAOYSA-N 266.253 -0.018 50 20 CBGD COC(=O)NNC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 1320262720 YGTFHMDZLZCXPP-SSDOTTSWSA-N 294.329 -0.644 50 20 CBGD Cc1cc(NC(=O)C(=O)NNC(=O)C2CCC2)n(C)n1 1323943467 IGAPKFKIWPHULF-UHFFFAOYSA-N 279.300 -0.385 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1c(C)cnn1CC 1327211415 YLYPBOGZGVGPSX-UHFFFAOYSA-N 267.289 -0.293 50 20 CBGD O=C(O)c1ccc(C(=O)N2CC[C@H](B(O)O)C2)nc1 1329215787 QFEPPTXASONOPB-QMMMGPOBSA-N 264.046 -0.531 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)CN1CCCC1=O 1330677092 CIZXANXCXWIQNP-UHFFFAOYSA-N 276.296 -0.606 50 20 CBGD CS(=O)(=O)CC(=O)NN=Cc1cnn(CC(F)F)c1 1335348146 ZMTCEHJKOVOHKP-UHFFFAOYSA-N 294.283 -0.357 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2[C@H]3CCNC[C@H]32)n1 1579317581 YXGDHEJGKRVFPL-QXFUBDJGSA-N 263.301 -0.216 50 20 CBGD O=C(/C=C/CN1CCOCC1)NNC(=O)[C@@H]1CCCNC1 1580493367 FRMVFCPGYKUORZ-FXMSTWTQSA-N 296.371 -0.978 50 20 CBGD CC(C)(O)C(=O)NNC(=O)/C=C\c1ccc(C(=O)O)o1 1590882963 UTDUQBDSTUSYRS-XQRVVYSFSA-N 282.252 -0.091 50 20 CBGD N[C@H](CCC(=O)O)C(=O)NNC(=O)c1ccccc1 1601174537 NBBFOTSDSUJRFK-SECBINFHSA-N 265.269 -0.360 50 20 CBGD CC(=O)c1cccc(NC(=O)C(=O)NNC(=O)C(=O)O)c1 1609630250 VXKSHZMXEZNYLM-UHFFFAOYSA-N 293.235 -0.940 50 20 CBGD CCCS(=O)(=O)CC(=O)NNC(=O)NCC 49164071 MCSGYMXOYMSICN-UHFFFAOYSA-N 251.308 -0.839 50 20 CBGD CCCNC(=O)NNC(=O)CSc1nnnn1C1CC1 49279320 QZQGKTWICPOVJN-UHFFFAOYSA-N 299.360 -0.160 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)NC2CC2)cn1 49427628 FRMLZTHXIFPSKX-UHFFFAOYSA-N 263.257 -0.713 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNC(=O)Cc1ccccc1F 66839892 POWVRHMSXRLRFM-ZETCQYMHSA-N 282.275 -0.428 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc(N)nc(Cl)c1 172160240 IJAHIRIPBSNLSD-UHFFFAOYSA-N 271.708 -0.360 50 20 CBGD CCS(=O)(=O)NCC(=O)NNc1cc(C)ccn1 179605848 OJCZYSPSSCQBOF-UHFFFAOYSA-N 272.330 -0.228 50 20 CBGD COc1ccnc(NNC(=O)NCCS(C)(=O)=O)n1 263940684 GYKCOETXFRUJHF-UHFFFAOYSA-N 289.317 -0.844 50 20 CBGD Cc1cc(O)cc(=O)n1CCC(=O)NNC(=O)NC1CC1 275709409 KTOKERNUSNSITO-UHFFFAOYSA-N 294.311 -0.255 50 20 CBGD CO[C@H]1COC[C@@H]1NC(=O)NNC(=O)Cc1ccncc1 291207068 NLWXUQVXSCTRGB-QWRGUYRKSA-N 294.311 -0.632 50 20 CBGD O=C(COc1ccc(F)cc1)NNC(=O)[C@@H]1CCC(=O)N1 298214837 MWQBLIKCRTZQFQ-JTQLQIEISA-N 295.270 -0.370 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCCS(=O)(=O)C1 584914518 YXMUGRBRIVYCBH-SECBINFHSA-N 297.141 -0.870 50 20 CBGD O=C(NCCCN1CCCC1)c1ccc(B(O)O)c(F)c1 584925264 FNJBRUPELHJHQD-UHFFFAOYSA-N 294.135 -0.279 50 20 CBGD O=C(NC1CCOCC1)c1ccc(B(O)O)c(F)c1 584932792 RNEXTNOBOUXOHD-UHFFFAOYSA-N 267.065 -0.586 50 20 CBGD CN(C(=O)c1ccc(B(O)O)cc1)C1CCS(=O)CC1 584950300 IUZWQOGFANUYPM-UHFFFAOYSA-N 295.169 -0.651 50 20 CBGD O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc(B(O)O)c(F)c1 584979104 KUUWPZQXHFBKSH-ZWKOPEQDSA-N 293.103 -0.197 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCN(C(=O)C2CC2)C1 585001284 VRAHYGBMYBKINF-UHFFFAOYSA-N 288.112 -0.982 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)c2cc(B(O)O)ccc2F)CO1 585004112 XZXOESWPTRKXEB-VXNVDRBHSA-N 267.065 -0.587 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@@]1(C)CO 585007484 APNHLKMCNVRPDH-HZMBPMFUSA-N 277.129 -0.543 50 20 CBGD COCCN(CCNCc1ccc(B(O)O)o1)C1CC1 585020069 NLTRDAIDZPGMTI-UHFFFAOYSA-N 282.149 -0.840 50 20 CBGD CCN1CC[C@H](NCc2ccc(B(O)O)o2)C[C@H]1C 585022920 DAVFIFVOZRSSMB-MNOVXSKESA-N 266.150 -0.078 50 20 CBGD CS[C@@H](CO)[C@H](C)NCc1cccc(B(O)O)c1 585029448 RKMFSWRAIUJWSH-CABZTGNLSA-N 269.175 -0.432 50 20 CBGD CCNC(=O)N1CC[C@@H](NCc2ccc(B(O)O)cc2)C1 585031159 SKCOGAVYZCXFJP-CYBMUJFWSA-N 291.160 -0.740 50 20 CBGD CC(C)(C)N1CC[C@H](NCc2ccc(B(O)O)o2)C1 585045208 DOMXLMPNWDFNGN-JTQLQIEISA-N 266.150 -0.078 50 20 CBGD CCn1nccc1CNCc1ccccc1B(O)O 585049773 KTAZVLGHADQXRC-UHFFFAOYSA-N 259.118 -0.127 50 20 CBGD N#Cc1ccccc1S(=O)(=O)N1CC[C@H](B(O)O)C1 585058953 VDMZZNUGPBJOFN-JTQLQIEISA-N 280.114 -0.204 50 20 CBGD O=S(=O)(NCB(O)O)c1cc2cc(F)ccc2o1 585059346 KAENGDWGQXOBHW-UHFFFAOYSA-N 273.050 -0.138 50 20 CBGD COc1cccc(CO[C@H](C)C(=O)NCB(O)O)c1 585063038 YPWGAVKPBVYDDI-SECBINFHSA-N 267.090 -0.272 50 20 CBGD O=C(O)[C@@]1(C(=O)N2CC[C@@H](B(O)O)C2)CC=CCC1 585063921 KOVGHXCRURHLSU-SKDRFNHKSA-N 267.090 -0.127 50 20 CBGD O=C(CCN1CCCC1=O)NNC(=O)c1ccncc1 727721291 CIYPUUVDWYXIKV-UHFFFAOYSA-N 276.296 -0.145 50 20 CBGD COCCN1C[C@H](C(=O)NNc2cc(C)ncn2)CC1=O 734254640 TVYMAJJSNSNMGX-SNVBAGLBSA-N 293.327 -0.277 50 20 CBGD COCC(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744490520 RVPULEJIDOAXIV-UHFFFAOYSA-N 291.263 -0.491 50 20 CBGD CCOCC(=O)NNC(=O)NCCOC1CCC1 745907642 FHUBTLOIVBPASU-UHFFFAOYSA-N 259.306 -0.078 50 20 CBGD CC(C)CNC(=S)NNC(=O)C(=O)NC(C)C 747756437 DELQHXXVWNRUEI-UHFFFAOYSA-N 260.363 -0.338 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCCn1cccn1 748637307 ZMVUBYQLAFKTAA-SNVBAGLBSA-N 299.331 -0.735 50 20 CBGD C[C@H](NC(=O)NNC(=O)C1CCCC1)C(=O)N(C)C 753206053 GAYPHIGMUZVPFN-QMMMGPOBSA-N 270.333 -0.016 50 20 CBGD Cn1cc([C@H](O)CNC(=O)NNC(=O)C2CCCC2)cn1 753344559 NCPJAKDCQZHOHC-LLVKDONJSA-N 295.343 -0.026 50 20 CBGD COc1cc(C(=O)NNC(=O)NCC2CC2)nn1C 772424498 UCBRFYYLTFKZGM-UHFFFAOYSA-N 267.289 -0.217 50 20 CBGD COc1ncnc(OC)c1C(=O)NN(C)C(N)=O 778412735 XFPIHRWSYHMZMM-UHFFFAOYSA-N 255.234 -0.851 50 20 CBGD CN(NC(=O)c1cc(Cl)ccc1-n1cnnn1)C(N)=O 778418528 MPQHFHHDNUJUED-UHFFFAOYSA-N 295.690 -0.029 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CC(=O)N(C2CC2)C1 790464116 JXRVBSYKPCJHJZ-JTQLQIEISA-N 296.371 -0.168 50 20 CBGD COC(=O)COCC(=O)NNc1ncc(F)cn1 807169720 KWSIPWDGECDVQD-UHFFFAOYSA-N 258.209 -0.752 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCCSC1 810565790 IKVYDQWPDXWKEP-QMMMGPOBSA-N 273.358 -0.198 50 20 CBGD CNC(=O)NCCC(=O)NNC(=O)NCC1CC1 814626441 MSFSNNOSFRHDBN-UHFFFAOYSA-N 257.294 -0.954 50 20 CBGD CC(=O)Nc1cncc(C(=O)NN=Cc2cnn(C)n2)c1 814882512 QRHJBJRLWHWPJF-UHFFFAOYSA-N 287.283 -0.068 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCC(C(=O)O)CC1 817797190 UZXRFJVQELKBFF-UHFFFAOYSA-N 285.344 -0.024 50 20 CBGD COC(=O)c1cccc(S(=O)(=O)NNC(C)=O)c1 818780811 QTRZKJMGRFUCRB-UHFFFAOYSA-N 272.282 -0.197 50 20 CBGD O=C(CSC1CC1)NNC(=O)N1CCOCC1 822854552 PBXMUSSDUXAOFY-UHFFFAOYSA-N 259.331 -0.045 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@@H]2NC(=O)O[C@H]2C)nc1 841410538 DYYRUOJYWAKCHM-IMTBSYHQSA-N 294.267 -0.192 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](N)[C@@H](C)C1 843353637 MTCNUMPRTPJXQK-GUBZILKMSA-N 256.350 -0.399 50 20 CBGD O=C(NN=c1cc[nH]cc1)[C@H]1CCCS1(=O)=O 847689997 FYRCHJMQMAYKQW-SECBINFHSA-N 255.299 -0.476 50 20 CBGD COCCN(C)NC(=O)c1cn(CCOC)nn1 848377810 CLSOGHZZYDBJEF-UHFFFAOYSA-N 257.294 -0.853 50 20 CBGD CCn1ccc(NC(=O)NN(C)C(=O)N2CCNCC2)n1 850756616 SEWZUXRDOJDFPQ-UHFFFAOYSA-N 295.347 -0.104 50 20 CBGD CCCN1CC[C@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858620699 ZIJFFOANELCHOE-VHSXEESVSA-N 297.359 -0.920 50 20 CBGD C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)[C@@H]1C 862463410 CLKFJUOJXPQTLS-WNPHYYBUSA-N 283.328 -0.528 50 20 CBGD Cn1cc2c(n1)CCCC2=NNC(=O)CS(C)(=O)=O 863186844 NRNYDBVRMUTDDV-UHFFFAOYSA-N 284.341 -0.379 50 20 CBGD O=C(CN1CCCC1)NNC(=O)N1CCOCC1 874248318 NOVMFAIGDNQBHP-UHFFFAOYSA-N 256.306 -0.845 50 20 CBGD CCN(CCNC(=O)NNC(=O)c1cccnn1)C1CC1 883285225 JWOQYORALTUYGI-UHFFFAOYSA-N 292.343 -0.095 50 20 CBGD C[C@H](CC[S@](C)=O)NC(=O)c1cccc(B(O)O)c1 900879135 NXAYAOQVYKADPJ-HOGDKLEQSA-N 283.158 -0.747 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@]1(OC)CCSC1 913432988 CXTAZWPHVTZCTK-LLVKDONJSA-N 292.357 -0.681 50 20 CBGD CC(=O)NNC(=O)CCCS(=O)(=O)N1CCCC1 920429931 FKYFSFNHTOHJBJ-UHFFFAOYSA-N 277.346 -0.641 50 20 CBGD CC(=O)Nc1ccc(O)c(C(C)=NNC(=O)C(N)=O)c1 1115850661 KYKSUOAUNCIIFR-UHFFFAOYSA-N 278.268 -0.324 50 20 CBGD CN(C)C(=O)CNC(=S)NNC(=O)CC(F)(F)F 1115878723 ZAFHRGMTOQINEU-UHFFFAOYSA-N 286.279 -0.478 50 20 CBGD Cc1nnc(CNC(=O)NNc2ncccn2)n1C 1116006613 WHRDIELTABYDHJ-UHFFFAOYSA-N 262.277 -0.260 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC2(CC1)CNC(=O)C2 1116328498 WKIMEEATVLKOEQ-JTQLQIEISA-N 296.371 -0.466 50 20 CBGD CCNC(=O)N(C)NC(=O)CCS(C)(=O)=O 1116450861 DJGZNGVYKHXUDQ-UHFFFAOYSA-N 251.308 -0.886 50 20 CBGD Cc1ncc(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@H]2C)[nH]1 1261480238 KFHOIBSCIZLOMB-POYBYMJQSA-N 288.329 -0.547 50 20 CBGD CSCCNC(=O)NNC(=O)c1ncccn1 1261641172 YCFPVSBHWVSHAY-UHFFFAOYSA-N 255.303 -0.216 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCc2ccccn2)cn1 1318918944 IHWAFXIUTMQMSP-UHFFFAOYSA-N 274.284 -0.041 50 20 CBGD COCCCCCNC(=O)NNC(=O)C(=O)OC 1318943289 VETVTRPETXTUDS-UHFFFAOYSA-N 261.278 -0.694 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)c1ccccc1 1321192706 CQVNTLDOAWKPKE-UHFFFAOYSA-N 272.264 -0.018 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)Sc1nncn1C 1321694554 NMYMGBMQPUQZHK-ZCFIWIBFSA-N 257.319 -0.147 50 20 CBGD O=C(NNc1nccc(N2CCOCC2)n1)c1cc[nH]n1 1322602810 RNDSLMXRMGEYMV-UHFFFAOYSA-N 289.299 -0.207 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccc(C(N)=O)nc1 1323596002 RLCPZPGEGTZMDE-UHFFFAOYSA-N 265.273 -0.513 50 20 CBGD CCn1cc(C(=O)C(=O)NN(C)CCOC)cn1 1324653555 JUZBRMUTYSWDPP-UHFFFAOYSA-N 254.290 -0.305 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(O)CCOCC1 1326661996 RIJRETONBDMWTB-DTWKUNHWSA-N 272.301 -0.900 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(O)n(C)n1 1328343284 SOLJIKLKYGGBMC-BQBZGAKWSA-N 268.273 -0.688 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@]1(F)CCOC1 1333778669 NSPKMIWOVPZHFZ-NSHDSACASA-N 293.364 -0.011 50 20 CBGD O=C(NNC(=O)c1cc[nH]c1)C(=O)N1CCCC1 1338768557 DPELXRAGADFDTF-UHFFFAOYSA-N 250.258 -0.602 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cc2c[nH]nc2cc1C 1338953573 QHCYKAPWYGUMBH-UHFFFAOYSA-N 275.268 -0.023 50 20 CBGD CCCNNC(=O)CNC(=O)c1ncccc1O 1577574767 RORFYETWKNICES-UHFFFAOYSA-N 252.274 -0.452 50 20 CBGD O=S(=O)(CCl)NCc1nc(-c2nn[nH]n2)cs1 1593420572 MLBQQQXSJPQXFP-UHFFFAOYSA-N 294.749 -0.061 50 20 CBGD O=C(Cn1ncnn1)NNc1ccc(F)c(C(=O)O)c1 1601391621 PGOOAQBHILTDMW-UHFFFAOYSA-N 280.219 -0.346 50 20 CBGD COCCN(C)NC(=O)[C@@H]1CO[C@@H](CCC(=O)O)C1 1604583868 HTCSIBGCUZBWHY-UWVGGRQHSA-N 274.317 -0.134 50 20 CBGD O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] 1606861498 HLMSNFBETVYSQY-RKDXNWHRSA-N 289.255 -0.025 50 20 CBGD O=C(NCc1cnn2ccccc12)NNC(=O)C(=O)O 1608473764 OWOVZZWMZBYTDR-UHFFFAOYSA-N 277.240 -0.751 50 20 CBGD Cc1cccnc1NNC(=O)Cn1cc(C(=O)O)nn1 1610534933 KFBMEFBJJGAVEO-UHFFFAOYSA-N 276.256 -0.177 50 20 CBGD COC(=O)NCC(=O)NNC(=O)c1cccnc1 53061774 VLAQQBRUOXUXAF-UHFFFAOYSA-N 252.230 -0.801 50 20 CBGD CC(=O)NCCNC(=O)NNc1cncc(Cl)n1 126318071 GSHDUUUZNYBUTM-UHFFFAOYSA-N 272.696 -0.108 50 20 CBGD CN(C)CC(=O)NNC(=O)Cc1cccc([N+](=O)[O-])c1 175943765 IQHPHFKJIZWQAN-UHFFFAOYSA-N 280.284 -0.154 50 20 CBGD O=C(CNC(=O)NNc1cccnn1)NCC1CC1 182043041 MSJIGALRFUVMCQ-UHFFFAOYSA-N 264.289 -0.371 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])c(O)c1 265106947 YMWKXCFXKRIXIJ-UHFFFAOYSA-N 282.256 -0.377 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCCC(=O)N2)[nH]n1 270720714 WRFVXYAZRQPZPD-SSDOTTSWSA-N 265.273 -0.852 50 20 CBGD COC(=O)N(C)NC(=O)C(=O)N1CCC[C@H](C)C1 286436931 RJHGRQNVYOUVTD-QMMMGPOBSA-N 257.290 -0.026 50 20 CBGD COc1ccnc(NNC(=O)C[C@@H]2CCCC(=O)N2)n1 289260674 MQJNQLLKINMYRP-QMMMGPOBSA-N 279.300 -0.013 50 20 CBGD CN1N=C(C(=O)NNc2ccnc(N(C)C)n2)CCC1=O 370945989 AZAGESUHOABKTC-UHFFFAOYSA-N 291.315 -0.406 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@H]1C[C@@]12CCOC2 376371158 UMGJVGHQLZYSMO-BXKDBHETSA-N 269.301 -0.514 50 20 CBGD COC(=O)N(C)N=Cc1c(N(C)C)n(C)c(=O)n(C)c1=O 496758609 NXJXLLAPEODLAN-UHFFFAOYSA-N 297.315 -0.818 50 20 CBGD C[C@@H]1CN(C)C[C@@H]1NC(=O)c1cc(B(O)O)ccc1F 584957911 KGKKTVGJMWMJJH-PELKAZGASA-N 280.108 -0.815 50 20 CBGD CC[C@@H](C)[C@@H](O)CNC(=O)c1cccc(B(O)O)c1 584959766 LAFXQDAZKJYIAC-SKDRFNHKSA-N 265.118 -0.497 50 20 CBGD C[C@H](C[S@](C)=O)NC(=O)c1ccc(B(O)O)c(F)c1 584973648 OZEHLEIFZFCHOR-XJZHNMMOSA-N 287.121 -0.998 50 20 CBGD CN(C)C1(CNC(=O)c2cccc(B(O)O)c2)CCC1 584979505 VWUDLWJXKBOFLE-UHFFFAOYSA-N 276.145 -0.420 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H](O)C[C@H](F)C1 585005445 HONWBMRCGZKPPD-IUCAKERBSA-N 285.055 -0.950 50 20 CBGD COCCN(C)CCCNCc1ccc(B(O)O)o1 585018555 YJHIABZFTKZESD-UHFFFAOYSA-N 270.138 -0.983 50 20 CBGD CN1CCC(CCNCc2ccc(B(O)O)o2)CC1 585022617 SOFCKWGBIYTCDM-UHFFFAOYSA-N 266.150 -0.219 50 20 CBGD C[C@@H](c1nc(-c2ccc(B(O)O)cc2)no1)S(C)(=O)=O 585053388 FSPHKQPNPGRULI-ZETCQYMHSA-N 296.113 -0.478 50 20 CBGD Cc1ccc(C#N)cc1S(=O)(=O)NCB(O)O 585055639 FVOKEYAZBWPWLK-UHFFFAOYSA-N 254.076 -0.843 50 20 CBGD CC[C@H](CS(=O)(=O)N1CC[C@@H](B(O)O)C1)OC 585056239 LHQHPZXYMYLLLW-RKDXNWHRSA-N 265.140 -0.710 50 20 CBGD COC(=O)c1ccc2[nH]cc(C=NNC(=O)C(N)=O)c2c1 731923676 WZRACBBMHOBBEQ-UHFFFAOYSA-N 288.263 -0.110 50 20 CBGD CN(C)CC1CCN(CC(=O)NNC(=O)C2CC2)CC1 733198575 JKKHUIDCYHMWRO-UHFFFAOYSA-N 282.388 -0.183 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1CCCN1C(=O)C(C)(C)C 733359199 GTMYMQPJUTUWLI-SNVBAGLBSA-N 298.387 -0.268 50 20 CBGD CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)C(=O)NC(CC)CC 740851276 XKKLBJRUTUEKFG-VHSXEESVSA-N 285.344 -0.136 50 20 CBGD C[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)C(=O)N1CCCC1 746185479 JNKQUUOPJYZURE-QWRGUYRKSA-N 296.371 -0.371 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CCCCNC(N)=O 747598486 RWUMDHSFTHLDGZ-UHFFFAOYSA-N 281.316 -0.375 50 20 CBGD COc1ncc(C(=O)NNC(=O)Cc2cc[nH]n2)cn1 755284913 HZXOLCYLEJCWOG-UHFFFAOYSA-N 276.256 -0.788 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccncc1F 755285438 CUFMILZDIXIOSG-UHFFFAOYSA-N 263.232 -0.053 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 763441541 LQDZMRSDDKEHHI-UHFFFAOYSA-N 293.279 -0.046 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2nccs2)cn1 770509028 NEILGAQRVRKNDU-UHFFFAOYSA-N 251.271 -0.049 50 20 CBGD COCCC1(C(=O)NNC(=O)C(=O)NC2CC2)CC1 773263717 ZEBJJVJYLNNRCW-UHFFFAOYSA-N 269.301 -0.771 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1ccccn1 777474420 BSZLHFXRXROXKF-SSDOTTSWSA-N 258.303 -0.538 50 20 CBGD Cc1ccnc(NNC(=O)CN2CCN(C)C(=O)C2)c1 781952077 QOIQMLCJOIDMSO-UHFFFAOYSA-N 277.328 -0.393 50 20 CBGD C[C@H]1COC(=O)C1=NNC(=O)N[C@H]1CCS(=O)(=O)C1 794901803 OXXFUJFPRUNYTA-BQBZGAKWSA-N 289.313 -0.978 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1ccnc2c1nnn2C 800806328 VNKWIHNEEXLPFT-UHFFFAOYSA-N 299.294 -0.223 50 20 CBGD CCOCC(=O)NNC(=O)NCC1=CCCOC1 807594383 PNHLILPMYJXYOB-UHFFFAOYSA-N 257.290 -0.300 50 20 CBGD COC(=O)C(C)(C)CS(=O)(=O)NNC(=O)C1CCC1 808092240 WMQORVQADHQRCX-UHFFFAOYSA-N 292.357 -0.064 50 20 CBGD Cn1cc(C(=O)NNC(=O)CN2CCCC2)cn1 820084821 YSHLDZYQNAYHJS-UHFFFAOYSA-N 251.290 -0.723 50 20 CBGD CCN(CCO)NC(=O)[C@H](C)OC[C@H]1CCCO1 823852341 DMXRRXQTEXIBRJ-WDEREUQCSA-N 260.334 -0.084 50 20 CBGD CC(=O)NCCCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 825589901 GGGGHXKLXNLWNT-WPRPVWTQSA-N 286.332 -0.732 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1C[C@H]2C[C@H]1C(=O)O2 827266506 CCFFFSVECOGMCA-BGZDPUMWSA-N 283.284 -0.848 50 20 CBGD COC/C(C)=C/C(=O)NNC(=O)N1CCOCC1 845336568 PCFFFOPQADOUOQ-VQHVLOKHSA-N 257.290 -0.348 50 20 CBGD Cc1nnc(CN(C)CC(=O)NNC(=O)C2CC2)s1 852746972 WBPRTQWZCKIVSU-UHFFFAOYSA-N 283.357 -0.164 50 20 CBGD CC(=O)NNC(=O)[C@@H](CS(C)(=O)=O)c1ccccc1 854155626 RMCPOGZFSCHKHW-NSHDSACASA-N 284.337 -0.018 50 20 CBGD CC[C@H](C(=O)NN(C)C(=S)NC)N1CCCC1=O 854924749 QIQQZTOWJIFAGX-MRVPVSSYSA-N 272.374 -0.145 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@@H]1CCCN1C(N)=O)C1CC1 855100777 IXXHDGARRBDAAU-APPZFPTMSA-N 299.400 -0.177 50 20 CBGD O=C(NC[C@@H]1COCCN1)NNc1ccc(Cl)nn1 861682454 YUAXIGZNFRVXFS-SSDOTTSWSA-N 286.723 -0.256 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)c1cc(O)ncn1 861851949 BMRMQOJWHMYGEM-MRVPVSSYSA-N 266.257 -0.488 50 20 CBGD COC(=O)CC(C)(C)CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862457885 SSFRPXKQZAQDCP-QMMMGPOBSA-N 299.327 -0.608 50 20 CBGD Cc1cc(=NNC(=O)C2=NN3CCCN=C3N2)cc[nH]1 862514358 ZCZXSYQRESVJDL-UHFFFAOYSA-N 273.300 -0.767 50 20 CBGD COC(=O)C(C)(C)CC=NNC(=O)[C@H]1CCC(=O)N1 863149986 KMKOZHYCKODTJG-MRVPVSSYSA-N 269.301 -0.044 50 20 CBGD CC1=C(C(=O)NNC(=O)CS(C)(=O)=O)CCCO1 863464039 DVHYSFLVOXJZES-UHFFFAOYSA-N 276.314 -0.737 50 20 CBGD COC(=O)CC1(NC(=O)c2cccc(B(O)O)c2)CCC1 863876611 HIYYJJFDLWYTQI-UHFFFAOYSA-N 291.112 -0.418 50 20 CBGD COCCOCC(=O)NNC(=O)c1cc(C)sn1 869905648 CZQNCHPWULBOLK-UHFFFAOYSA-N 273.314 -0.124 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H](CC(C)C)OC 869906038 UPTBVOZYVLNYSP-JTQLQIEISA-N 276.333 -0.142 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H](C)CSC 869910822 YTWCYZYOFNXKRA-QMMMGPOBSA-N 264.347 -0.204 50 20 CBGD COC(=O)N(C)NC(=O)NCC(=O)N1CCCCC1 875073463 GBTFAFASDGIXTO-UHFFFAOYSA-N 272.305 -0.089 50 20 CBGD CCOC(=O)[C@@](C)(O)CNS(=O)(=O)CCCCl 882065857 RVIILUWOAGEKTK-VIFPVBQESA-N 287.765 -0.151 50 20 CBGD C#CCCCC(=O)NNC(=O)CN1CCOCC1 887145981 ZDYFRNDZTCIJQX-UHFFFAOYSA-N 253.302 -0.731 50 20 CBGD CN1CC[C@@H](NC(=O)NNC(=O)Cc2cccnc2)C1=O 1116655265 NXMZRQUVNJUFJR-SNVBAGLBSA-N 291.311 -0.815 50 20 CBGD Cc1cncc(CCC(=O)NNC(=O)CS(C)(=O)=O)c1 1118895740 YAYDWVBSCZVWAE-UHFFFAOYSA-N 299.352 -0.485 50 20 CBGD C[C@@H](NNC(=O)c1cnn(C[C@@H](O)CO)c1)C(F)(F)F 1118943268 JWFCTTRLLYXYNO-HTRCEHHLSA-N 296.249 -0.579 50 20 CBGD CN1CC[C@H](C(=O)NNC(=S)Nc2ccccn2)C1=O 1119057754 VOFDXAMMAPUODA-MRVPVSSYSA-N 293.352 -0.123 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1C[C@H]1c1cncn1C 1119645441 SCZAFDIIGXZUPI-OPRDCNLKSA-N 252.318 -0.133 50 20 CBGD C=CCNC(=S)NNC(=O)c1cnn(C)c1N 1256495008 CBHQYGJHTQZXAM-UHFFFAOYSA-N 254.319 -0.703 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=CC1CCOCC1 1319589005 XJOSFEDEJFRKRZ-QMMMGPOBSA-N 277.346 -0.547 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)Sc1nnc(CC#N)n1C 1321219080 AQPDPYBQUQSNBG-ZETCQYMHSA-N 296.356 -0.081 50 20 CBGD Cc1cc(NNC(=O)CN2C(=O)CNC2=O)nc(C)n1 1328925973 IGEBWKLPMBBKAY-UHFFFAOYSA-N 278.272 -0.912 50 20 CBGD O=C(CCN1C(=O)CCNC1=S)NNc1cccnn1 1329054574 LAIWKJOZAKOJBD-UHFFFAOYSA-N 294.340 -0.583 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cnoc2C2CC2)N1 1329531510 UOYUAMIAZBTJSR-MRVPVSSYSA-N 278.268 -0.408 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)C1CCOCC1 1331503063 YBNNDPFPPNADSB-VIFPVBQESA-N 260.290 -0.778 50 20 CBGD O=C(NCC1CC1)C(=O)NNC(=O)c1ccccn1 1343482090 WJZIAIINSLJPQY-UHFFFAOYSA-N 262.269 -0.631 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CN2CCN1C[C@H]2C 1345507145 MJUOLRLFYDOUIJ-ZJUUUORDSA-N 283.401 -0.944 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccn(CC)n1 1346855675 RQXGRPNJESCVGZ-UHFFFAOYSA-N 283.288 -0.975 50 20 CBGD CC(=O)CCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 1348390150 YSNKIBRWXNTMRS-MRVPVSSYSA-N 255.274 -0.828 50 20 CBGD O=C([C@@H]1CCc2nccn2C1)N1CC[C@@H](B(O)O)C1 1348489886 GTCOUBADSSXSAZ-NXEZZACHSA-N 263.106 -0.479 50 20 CBGD Cn1cc(C(=O)NNC(=O)C2CCNCC2)ccc1=O 1574212606 ZJWMXTIYJBSUKK-UHFFFAOYSA-N 278.312 -0.854 50 20 CBGD C[C@]1(C(=O)NNC(=O)C2CCC2)C[C@H](N)CCO1 1576350182 MCBCVUXQZSOLBK-BXKDBHETSA-N 255.318 -0.170 50 20 CBGD C=C[C@H](O)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1588526146 QPADGOJSALZEMV-VIFPVBQESA-N 288.267 -0.825 50 20 CBGD C[C@@](C#N)(CC(=O)O)C(=O)NNC(=O)c1cccc(F)n1 1588542251 UMHLIGXAWLCICA-LBPRGKRZSA-N 294.242 -0.014 50 20 CBGD O=C(NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1ccnnc1 1593155856 BLEUASHXIJQGOQ-UHFFFAOYSA-N 299.254 -0.940 50 20 CBGD O=C(O)[C@@H]1CCCCN1C(=O)c1cc(B(O)O)ccc1F 1595161416 URORAACNAHAPKN-NSHDSACASA-N 295.075 -0.415 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNc2cnnn2C)O[C@H]1C(=O)O 1599876253 ZDPBHRQQTRFAPL-ATRFCDNQSA-N 269.261 -0.864 50 20 CBGD O=C(O)[C@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 1602211492 SEYXSXGVFZYHAM-LLVKDONJSA-N 277.085 -0.554 50 20 CBGD CN1CCO[C@@H](C(=O)NNc2cc(Cl)nc(N)n2)C1 183529152 WGSQEJQICOMCCY-ZCFIWIBFSA-N 286.723 -0.514 50 20 CBGD COC(=O)NNC(=O)Cn1c(=O)oc2ccccc21 192589906 FZPDDRZNBIEDMQ-UHFFFAOYSA-N 265.225 -0.018 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)NCCCOC)CC1 266807015 FBRMQJYDOUHVGY-UHFFFAOYSA-N 287.316 -0.303 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)[C@@H]1CC[C@H](C(N)=O)O1 279528620 BVHRRYXLZPGJLQ-RQJHMYQMSA-N 273.289 -0.425 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNC(=O)c1ccncc1 368400301 QMDCBJMIWWEFCG-NSHDSACASA-N 278.312 -0.437 50 20 CBGD COC(=O)NCCC(=O)NNc1nccc(OC)n1 491266628 UIBSWHFORVSQSF-UHFFFAOYSA-N 269.261 -0.326 50 20 CBGD COCc1nc(COc2ccc(B(O)O)cc2)no1 584909463 DTEMRHFHZAEZGB-UHFFFAOYSA-N 264.046 -0.525 50 20 CBGD CCN(CC(=O)NC(C)C)C(=O)c1ccc(B(O)O)cc1 584927201 NZTWAQYHHKPEIC-UHFFFAOYSA-N 292.144 -0.647 50 20 CBGD C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cccc(B(O)O)c1 584950996 OQAYTSJOPUJCSV-BXUZGUMPSA-N 290.172 -0.221 50 20 CBGD CCN1C[C@@H](C)N(C(=O)c2cccc(B(O)O)c2)C[C@@H]1C 584968795 OASZYEUYBMOZRA-NWDGAFQWSA-N 290.172 -0.079 50 20 CBGD C[S@](=O)C1(CNC(=O)c2ccc(B(O)O)cc2)CC1 584986495 FVZXJIBWFRDZHF-IBGZPJMESA-N 281.142 -0.993 50 20 CBGD O=C(N[C@@H](CO)CC1CCC1)c1cc(B(O)O)ccc1F 584992598 PYQWQMBEMINKSW-LLVKDONJSA-N 295.119 -0.214 50 20 CBGD C[C@@H]1C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC[C@@H]1O 585006243 JUDZOCVCTLXTRQ-WQAKAFBOSA-N 277.129 -0.354 50 20 CBGD OB(O)c1ccc(CNCCCOC[C@H]2CCOC2)cc1 585025359 RTJLNYGQYRQASB-CQSZACIVSA-N 293.172 -0.101 50 20 CBGD CCOc1cccc(NCc2ccc(B(O)O)o2)n1 585028938 SSDMSCNFOWKBKY-UHFFFAOYSA-N 262.074 0.365 50 20 CBGD COCC(=O)N[C@H](C(=O)NNC(=O)C(C)C)C(C)C 741206631 BBLQEWAWAAJSCM-JTQLQIEISA-N 273.333 -0.423 50 20 CBGD CCn1nc(C)c(S(=O)(=O)NNC(=O)NC)c1C 741652969 KGOMOGXHMOSFDS-UHFFFAOYSA-N 275.334 -0.358 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN(CC(N)=O)C1CCCC1 744387862 FZJWSCNEFIZHGZ-UHFFFAOYSA-N 298.387 -0.090 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 746006107 NWVVMJMDOKFHST-RITPCOANSA-N 296.249 -0.254 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H](CO)C1 748810190 RZBSELMAFDQTTL-SNVBAGLBSA-N 271.361 -0.116 50 20 CBGD CC(C)CONC(=O)NNC(=O)C(=O)N1CCCC1 750461862 YNJXZBCLWAGUOI-UHFFFAOYSA-N 272.305 -0.473 50 20 CBGD CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NNC(=O)CO 753438985 LYAKNYGPHMMLSH-QMMMGPOBSA-N 271.317 -0.837 50 20 CBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)C2CC2)co1 755395383 PWEQDFKLFUFWBH-UHFFFAOYSA-N 287.297 -0.641 50 20 CBGD O=C(CCN1C(=O)CCC1=O)NNc1ncc(F)cn1 760911341 GMRRMIXMSWECCN-UHFFFAOYSA-N 281.247 -0.402 50 20 CBGD COCC(=O)NN=C(C)c1cc(C(N)=O)n(C)c1 761816654 BIYFQLPIZYAPEW-UHFFFAOYSA-N 252.274 -0.389 50 20 CBGD COc1cccc(C(=O)NNC(=O)CN(C)C)c1[N+](=O)[O-] 769929411 YSNXLWGDVHTYSV-UHFFFAOYSA-N 296.283 -0.074 50 20 CBGD O=C(NNC(=O)c1cccn2c(O)nnc12)c1cccnc1 770549330 MYIFBAJIBHRWPJ-UHFFFAOYSA-N 298.262 -0.095 50 20 CBGD O=C(NNc1cnccn1)[C@@H]1CCCCS1(=O)=O 775279288 VDQAGOJIUYRZTK-QMMMGPOBSA-N 270.314 -0.113 50 20 CBGD COC[C@@H](CNC(=O)NNC(=O)Cc1ccncc1)OC 781388608 YABKPEIBWNSNFA-LLVKDONJSA-N 296.327 -0.384 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CC(=O)N(C)C[C@H]1C 782579508 GOWUIAPGSTVXQE-MNOVXSKESA-N 298.387 -0.269 50 20 CBGD CC(C)[C@H](F)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 784032474 JPGXSGBDOZKIMY-YUMQZZPRSA-N 280.321 -0.437 50 20 CBGD O=C(NNC(=O)N1CCOCC1)C1CCC(O)CC1 792107122 OPJHBPNMAGVPRO-UHFFFAOYSA-N 271.317 -0.390 50 20 CBGD CN(C)CC(=O)NNC(=O)Cc1ccc([S@](C)=O)cc1 798109467 RTOYQUUVKVIHTM-FQEVSTJZSA-N 297.380 -0.325 50 20 CBGD C=CCNC(=S)NNC(=O)c1ccnc2c1nnn2C 801103411 KIIXMLWYGYEXON-UHFFFAOYSA-N 291.340 -0.342 50 20 CBGD COC(=O)N(C)NC(=O)C[C@@H]1SC(=N)NC1=O 804125231 SQXSYIVJTZVSMT-BYPYZUCNSA-N 260.275 -0.728 50 20 CBGD CC(C)S(=O)(=O)CCNC(=O)NNC(=O)C1CCC1 808364854 AKRZXMAQNZEXBY-UHFFFAOYSA-N 291.373 -0.060 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 823977319 UFWFMSJONXRHGR-VHSXEESVSA-N 271.361 -0.023 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2nnnn2CC1)c1ccc[nH]1 845107646 ODORFIINOGXNCY-QMMMGPOBSA-N 289.299 -0.585 50 20 CBGD O=C(NNC(=O)C1CC1)C(=O)Nc1cccc2nonc12 847503404 LWKDWAWLYNXGSW-UHFFFAOYSA-N 289.251 -0.281 50 20 CBGD COCCOCC(=O)NNC(=O)CC(F)(F)F 855001647 HIOMBZWKTGHRAB-UHFFFAOYSA-N 258.196 -0.251 50 20 CBGD CC(C)(C)S(=O)(=O)CC(=O)NNC(=O)c1cc[nH]n1 855357541 LFMYOXMUUDKHSX-UHFFFAOYSA-N 288.329 -0.616 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)cnc1F 857710304 AJJIZXSWRLTSID-UHFFFAOYSA-N 294.286 -0.087 50 20 CBGD CCC[C@@H]1C[C@H]1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858263756 MXJDZTMUOFEEAW-IWSPIJDZSA-N 268.317 -0.216 50 20 CBGD COCCN(C)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 861657032 KEPYARMYMDCAFN-JTQLQIEISA-N 293.389 -0.733 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCNC2)c1 861707446 WLVDYPLKYDHXAS-LLVKDONJSA-N 273.296 -0.136 50 20 CBGD Cc1coc(C)c1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862459727 AKFOAQAWQZJVDN-QMMMGPOBSA-N 265.269 -0.064 50 20 CBGD COC(=O)[C@@H](NC(=O)c1cccc(B(O)O)c1)C1CC1 863874863 CGXTWGFJCKXMCP-NSHDSACASA-N 277.085 -0.952 50 20 CBGD COCCOCC(=O)NNC(=O)C(C)(C)COC 869908120 JCBOVDRILAJESY-UHFFFAOYSA-N 262.306 -0.531 50 20 CBGD C#CCCCC(=O)NNC(=O)CN1CCCNC1=O 887142129 XCIIWIZGBHADPR-UHFFFAOYSA-N 266.301 -0.647 50 20 CBGD C#CCSCC(=O)NNC(=O)Cc1cc[nH]n1 896210357 LIYYSXNQBAYKDV-UHFFFAOYSA-N 252.299 -0.534 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccc(C(N)=O)cc1 910178601 NBNSBCCWQAIGIO-MRVPVSSYSA-N 251.286 -0.257 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cccn2nnnc12 911445310 RJTQNHCUSLMJSW-SSDOTTSWSA-N 250.262 -0.918 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1ccsn1 913733281 CTOZPLLGXXIXBM-UHFFFAOYSA-N 268.298 -0.474 50 20 CBGD CN1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1 921206969 XZCQYPLTJIHJDF-UHFFFAOYSA-N 294.330 -0.166 50 20 CBGD CN1CCC(CC(=O)NNC(=O)c2cccnn2)CC1 921315045 QVKUAEXNEKEPBB-UHFFFAOYSA-N 277.328 -0.031 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cc2cccn2cn1 935562276 FKSSCCRPZSOMOX-UHFFFAOYSA-N 262.269 -0.134 50 20 CBGD C[C@@H](O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1116724650 YRNSPUAFOTVTEO-SECBINFHSA-N 293.327 -0.779 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnnn1C 1261498250 ZBVPZKBEUMMLBU-RQJHMYQMSA-N 253.262 -0.999 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@@H](C)c1nncn1C 1320465256 AFZBNWFAQUDWTA-JGVFFNPUSA-N 268.321 -0.588 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2csnn2)cn1 1321905005 DCZNVXLYHFGKEO-UHFFFAOYSA-N 252.259 -0.654 50 20 CBGD COc1ccnc(NNC(=O)CO[C@@H]2CCOC2)n1 1322305328 XIDKXSZNGBAYJS-MRVPVSSYSA-N 268.273 -0.266 50 20 CBGD O=C(NNC(=O)C1CC1)c1cnn2c(=O)cc[nH]c12 1322791494 OQWQNBBBMSHNIY-UHFFFAOYSA-N 261.241 -0.806 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1cccc(C)c1 1323431466 GLDOJUKTKALDBL-UHFFFAOYSA-N 265.269 -0.002 50 20 CBGD Cc1cccc(C(=O)NNC(=O)NC[C@H]2COCCN2)n1 1329054016 JPUBVZFPGJTMMR-JTQLQIEISA-N 293.327 -0.678 50 20 CBGD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNc1cccnn1 1337692110 CFOXTTVMJQDBQH-GMSGAONNSA-N 279.300 -0.805 50 20 CBGD COCCCNC(=O)NNC(=O)CO[C@H]1CCOC1 1339908098 POUUBTSOKUIQLY-VIFPVBQESA-N 275.305 -0.841 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C1CCC1)[C@H]1CN(C)CCN1C 1347185469 JSHLUILDKHMEOU-ZYHUDNBSSA-N 297.403 -0.249 50 20 CBGD C[C@H](CO)N(C)NC(=O)CCc1c(N)cnn1C 1576038010 TZTCCVMNBKMELV-MRVPVSSYSA-N 255.322 -0.721 50 20 CBGD CC(C)C(=O)NNC(=O)Cn1cc(C(=O)O)cn1 1590939226 REFQOJGSAOWENS-UHFFFAOYSA-N 254.246 -0.615 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cccc(CC(=O)O)c1 1593858675 SFURBXCQVCJFEZ-UHFFFAOYSA-N 295.251 -0.361 50 20 CBGD CO[C@H](C(=O)O)C(=O)NN=c1cc[nH]c2cccnc12 1593911268 JQFAPMFTLQJFQQ-JTQLQIEISA-N 276.252 -0.406 50 20 CBGD O=C(NNC(=O)[C@H]1CC(C(=O)O)=NO1)NC1CCCC1 1594783282 YKUCGMUXWNTIQR-MRVPVSSYSA-N 284.272 -0.511 50 20 CBGD Cc1cc(C(=O)O)oc1C(=O)NNC(=O)c1cnn[nH]1 1600133585 NCLFOBOKXUNMPW-UHFFFAOYSA-N 279.212 -0.521 50 20 CBGD CN(NC(=O)CN1CCC[C@H](C(=O)O)C1=O)C1CC1 1606179343 OOALMJCPFSQIFD-VIFPVBQESA-N 269.301 -0.565 50 20 CBGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)CN)C1 1842878429 AGLHRDXZHOKWAL-SECBINFHSA-N 289.763 -0.598 50 20 CBGD Cc1cc(C)nc(NNC(=O)N[C@@H]2CCS(=O)(=O)C2)n1 42872442 OHCAFOSBIXOWOV-SECBINFHSA-N 299.356 -0.093 50 20 CBGD CNC(=O)NNC(=O)CNC(=O)c1ccc(C)s1 48949186 RXYIANOOGGLWAK-UHFFFAOYSA-N 270.314 -0.253 50 20 CBGD CN(C)C(=O)CNC(=S)NNC(=O)NCC1CC1 144924571 DEUSOBWTXWGPDB-UHFFFAOYSA-N 273.362 -0.837 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2ccnc(C)n2)[nH]n1 151218128 DIHITNQTFIYKJX-UHFFFAOYSA-N 260.257 -0.109 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cc(C#N)c[nH]2)[nH]n1 151229540 UZHVLVBWALWUQQ-UHFFFAOYSA-N 258.241 -0.007 50 20 CBGD CN(NC(=O)CCNC(=O)c1ccsc1)C(N)=O 181063474 HMPFXLNYXZTTIQ-UHFFFAOYSA-N 270.314 -0.090 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCN(C(=O)[C@H](C)O)CC1 270847921 PCDVQTITMMVPBG-SPQRFVMMSA-N 281.312 -0.518 50 20 CBGD C[C@H](C(=O)NN(C)C(N)=O)N1C(=O)[C@H]2CCCC[C@H]2C1=O 272147861 FTOGWMBYFSQNBC-HLTSFMKQSA-N 296.327 -0.408 50 20 CBGD CN(C)C(=O)NNC(=O)Cn1cc(Br)cn1 299361410 IYCXPWWGZSFVPN-UHFFFAOYSA-N 290.121 -0.052 50 20 CBGD COC(=O)NCCC(=O)NNC(=O)c1c[nH]nc1C 491341855 LNPKIVNFKBWDLG-UHFFFAOYSA-N 269.261 -0.775 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)COC(F)F 496256817 UUEQQDMFCXTJAJ-UHFFFAOYSA-N 297.258 -0.102 50 20 CBGD O=C(N[C@@H]1CCN(C2CC2)C1)c1cccc(B(O)O)c1 584934655 UPNJHMXPQQWFEB-GFCCVEGCSA-N 274.129 -0.667 50 20 CBGD CN(C)C1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584941940 NUZKDIBCSAVOEY-UHFFFAOYSA-N 294.135 -0.328 50 20 CBGD C[C@H]1C[S@@](=O)CCN1C(=O)c1cc(B(O)O)ccc1F 584951866 ZYAXJRJTYUQJKF-FHZGZLOMSA-N 299.132 -0.902 50 20 CBGD CC(C)(O)[C@@H]1CCCN1C(=O)c1cccc(B(O)O)c1 584964094 COQKDQOHIIWUGP-LBPRGKRZSA-N 277.129 -0.258 50 20 CBGD CC1(CNC(=O)c2ccc(B(O)O)cc2)CCOCC1 584968566 CEPZBHZLQBDPJJ-UHFFFAOYSA-N 277.129 -0.087 50 20 CBGD CCN1C[C@H](C)N(C(=O)c2ccc(B(O)O)cc2)C[C@H]1C 584969260 SONASGROIWGIQO-NEPJUHHUSA-N 290.172 -0.079 50 20 CBGD CN1CC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2C1 584972372 VCIWHELQQGQLNP-FZMZJTMJSA-N 288.156 -0.467 50 20 CBGD O=C(N[C@@H]1CCC[C@@H]1CCO)c1ccc(B(O)O)cc1 584974361 NRBCOJZYFCKFHQ-ZWNOBZJWSA-N 277.129 -0.353 50 20 CBGD CC(C)(CO)[C@H](NC(=O)c1cccc(B(O)O)c1)C1CC1 585004750 MLPXQEDJAPSFJJ-CYBMUJFWSA-N 291.156 -0.107 50 20 CBGD OB(O)c1cccc(CNC[C@@H]2CN3CCC[C@H]3CO2)c1 585022554 QDFBHMGSZXWVEA-LSDHHAIUSA-N 290.172 -0.681 50 20 CBGD CCc1nc(CCNCc2ccc(B(O)O)o2)no1 585022586 RRQXPBAPUXQNAZ-UHFFFAOYSA-N 265.078 -0.763 50 20 CBGD CSC[C@@H](CCO)NCc1ccccc1B(O)O 585029498 RQLDSGGAXDEBLE-LLVKDONJSA-N 269.175 -0.430 50 20 CBGD OB(O)c1ccc(CNCC2[C@H]3COC[C@H]23)c(F)c1 585040311 INTIHHHIDYBARY-VXGBXAGGSA-N 265.093 -0.513 50 20 CBGD O=C1[C@@H](NCc2ccc(B(O)O)cc2)C[C@@H]2CCCCN12 585044722 RBZXAITZEYPPOD-KBPBESRZSA-N 288.156 -0.391 50 20 CBGD COCc1cccc(S(=O)(=O)NCB(O)O)c1 585055651 GDWZJBRHSBAPSV-UHFFFAOYSA-N 259.092 -0.877 50 20 CBGD COc1cc(S(=O)(=O)NCB(O)O)ccc1Cl 585056777 AXNHDTBUXGKGQM-UHFFFAOYSA-N 279.510 -0.361 50 20 CBGD CC(C)NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)nc1 735889263 XQQYZHFFLLSMEV-UHFFFAOYSA-N 290.287 -0.386 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1C[C@H]1C(=O)O 736899240 FKCAVCONXQEJPY-JGVFFNPUSA-N 285.300 -0.841 50 20 CBGD Cc1cccnc1C(=O)NNC(=O)C(=O)N1CCCC1 749937962 DWUGSLLWQGSLJN-UHFFFAOYSA-N 276.296 -0.227 50 20 CBGD O=C(CO)NNC(=O)c1ccc(Cn2cccn2)cc1 753443809 BURMVQBLIUKQHY-UHFFFAOYSA-N 274.280 -0.315 50 20 CBGD COc1cc(C)cnc1C(=O)NNC(=O)CN(C)C 754205621 BPDYOHOHBFCYAN-UHFFFAOYSA-N 266.301 -0.279 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCc3n[nH]cc3C2)cn1 757005791 VDYWUBMVPXXASI-QMMMGPOBSA-N 288.311 -0.291 50 20 CBGD COCC(=O)NNC(=O)Nc1nc2ccccn2n1 760037703 QTSVRCTXLMTQRL-UHFFFAOYSA-N 264.245 -0.472 50 20 CBGD CCOc1ccccc1NC(=O)C(=O)NNC(=O)COC 764299731 HOFLGFPNUMLVKY-UHFFFAOYSA-N 295.295 -0.182 50 20 CBGD COc1nccnc1NNC(=O)CCCCNC(N)=O 764466317 ZXGSNKNTGFGANU-UHFFFAOYSA-N 282.304 -0.233 50 20 CBGD CCOc1cccc(NC(=O)NNC(=O)CO)n1 765320196 HALAARSNMRPNNN-UHFFFAOYSA-N 254.246 -0.375 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@@H]1O 768771246 TYJZPEGSRFFDRC-IUCAKERBSA-N 257.334 -0.508 50 20 CBGD CSCCNC(=S)NNC(=O)[C@H]1CCC(=O)N1 770238767 CSUDLOGGYCPSCQ-ZCFIWIBFSA-N 276.387 -0.877 50 20 CBGD COCCOc1cccc(C(=O)NNC(=O)CO)c1 777782095 ZYHLFKXBQUGOJJ-UHFFFAOYSA-N 268.269 -0.535 50 20 CBGD CC(C)N1CCN(CC(=O)NNC(=O)C(C)(C)C)CC1=O 780371620 BMWRTKYPEKFQKR-UHFFFAOYSA-N 298.387 -0.268 50 20 CBGD CC[C@@H](CO)NC(=O)NNC(=O)Cc1cccnc1 780988199 AXBIBMBGFFQISK-JTQLQIEISA-N 266.301 -0.275 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCCCO2)CC1 791157508 YYDKOOFKSHWDRN-JTQLQIEISA-N 270.333 -0.456 50 20 CBGD Cc1cccnc1NNC(=O)C1=NN(CCO)C(=O)CC1 791214774 LVTBFTPSEZIZFG-UHFFFAOYSA-N 291.311 -0.196 50 20 CBGD C#Cc1cncc(C(=O)NNC(=O)c2cnn(C)c2)c1 806881783 PSWZTVFNTRDIOO-UHFFFAOYSA-N 269.264 -0.129 50 20 CBGD COC(=O)c1ccc(Cl)c(C(=O)NNC(=O)CO)c1 810919211 SOVUXBKZOPYJPJ-UHFFFAOYSA-N 286.671 -0.120 50 20 CBGD O=C(CCn1cc([N+](=O)[O-])cn1)NNc1nc[nH]n1 816632227 ZGBMTYIEWKZIDD-UHFFFAOYSA-N 266.221 -0.557 50 20 CBGD CCCCS(=O)(=O)CC(=O)NN(C)[C@H](C)CO 823384669 QYISJQVAFBFHJD-SECBINFHSA-N 266.363 -0.455 50 20 CBGD CCN(CCO)NC(=O)CN1C(=O)COc2ccccc21 823837823 GXVPGJBFFUAGIW-UHFFFAOYSA-N 293.323 -0.243 50 20 CBGD CCN(CCO)NC(=O)c1ccc(-n2cnnn2)c(C)c1 823846306 IDVFWGYFKWAJSY-UHFFFAOYSA-N 290.327 -0.070 50 20 CBGD CNc1nnc(CC(=O)NN(C)C[C@@H](C)O)s1 824100922 OGHQSEZRYRNESE-ZCFIWIBFSA-N 259.335 -0.534 50 20 CBGD CC(=NNC(=O)NCC1CC1)c1cn(CC(=O)O)nn1 825798209 CLVXXVSVPCOUSM-UHFFFAOYSA-N 280.288 -0.204 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](NC)C1 843348886 VLAZXUBJJCZXIJ-ZJUUUORDSA-N 256.350 -0.384 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)n1 847542006 MQHBIGIBJUMEIT-JGVFFNPUSA-N 279.300 -0.252 50 20 CBGD C[C@@H](Oc1ccccc1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862449252 NAEBPAHIDRPFMQ-KOLCDFICSA-N 291.307 -0.120 50 20 CBGD Cc1cc(C)nc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862460514 FHUQSFQYKIDGJG-SECBINFHSA-N 276.296 -0.262 50 20 CBGD COCCCn1cc(C(=O)NNC(=O)c2cn[nH]c2)cn1 862467106 PIQNSKYNYKIBNA-UHFFFAOYSA-N 292.299 -0.283 50 20 CBGD O=C1CC[C@@H](C(=O)NN=Cc2c[nH]c(C(=O)O)c2)N1 863150149 NWXROKBCACJTOO-ZETCQYMHSA-N 264.241 -0.558 50 20 CBGD C=CCNC(=S)NNC(=O)CN1CCOC1=O 873765006 DWPNPHMKIWGBAK-UHFFFAOYSA-N 258.303 -0.880 50 20 CBGD C[C@@H](NCc1cccc(B(O)O)c1)c1nnnn1C1CC1 877473910 NMVVDLGXAKFBOM-SECBINFHSA-N 287.132 -0.461 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H](C)N1CCN(C)CC1 887144272 HSDNNDMFOWNXMC-LBPRGKRZSA-N 280.372 -0.427 50 20 CBGD CCNC(=S)NNC(=O)[C@H](C)CN1CCOCC1 916117962 SLKOGHNOZWRWTH-SECBINFHSA-N 274.390 -0.530 50 20 CBGD COc1ccnc(NNC(=O)NC[C@@H]2CCN2C)n1 925400308 PTHQIEUKSCVMQW-QMMMGPOBSA-N 266.305 -0.185 50 20 CBGD COc1ccnc(NNC(=O)C(=O)Nc2cccnc2)n1 1116669633 GPXYLDBJJMTQTG-UHFFFAOYSA-N 288.267 -0.038 50 20 CBGD Cn1cnnc1COCC(=O)NNC(=O)CC1CC1 1117762398 LRRLXAGVOHNGDO-UHFFFAOYSA-N 267.289 -0.721 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cnccn1 1318721946 BTKPLEBCCQJPQI-UHFFFAOYSA-N 279.300 -0.458 50 20 CBGD COc1nccnc1NNC(=O)c1nnn(C)c1C 1320242727 WLOCMJQYBSOEPA-UHFFFAOYSA-N 263.261 -0.321 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CCS(=O)(=O)c2ccccc21 1325859110 BZRHMKJWBNXFSL-VIFPVBQESA-N 297.336 -0.092 50 20 CBGD COC[C@H](CO)NC(=O)NNC(=O)c1cccc(F)n1 1328437910 SNHNQFVHYUKSEK-ZETCQYMHSA-N 286.263 -0.828 50 20 CBGD Cn1c(N)nc(Cl)c1C=NNC(=O)[C@@H]1CCC(=O)N1 1330141967 HNSXHOCDEJFERQ-YFKPBYRVSA-N 284.707 -0.616 50 20 CBGD O=C(NNC(=O)N1CCSCC1)c1cn[nH]c1 1331312667 KYFYGEFUJNQJDO-UHFFFAOYSA-N 255.303 -0.187 50 20 CBGD CCn1ncc(C(=O)N2CC[C@H](B(O)O)C2)c1C 1331897336 WKVSUYKMRDQTNE-VIFPVBQESA-N 251.095 -0.100 50 20 CBGD CS(=O)(=O)CCCC(=O)NNC(=O)CC(F)(F)F 1338738992 KFKBEZNWVAAGHN-UHFFFAOYSA-N 290.263 -0.089 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H](C)[C@@H]2CCC(=O)N2)n[nH]1 1348268257 ONFPVTDJGLUUKV-SFYZADRCSA-N 279.300 -0.606 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H]1CC[C@H]1C(N)=O 1349776413 GNKWHSYUTXUXLY-RQJHMYQMSA-N 258.347 -0.598 50 20 CBGD CCCNC(=O)NNC(=O)[C@@]1(C)C[C@H](N)CCO1 1577545436 VRPZHSIZUXFEKG-LDYMZIIASA-N 258.322 -0.377 50 20 CBGD NC[C@@H](NC(=O)NNC(=O)C1CCOCC1)C1CC1 1580222561 YIVYQSFREOMXPI-SNVBAGLBSA-N 270.333 -0.519 50 20 CBGD C#C[C@H](NC(=O)NNC(=O)C(=O)O)c1ccc(F)cc1 1588374177 PYHBEGQOECFEKG-VIFPVBQESA-N 279.227 -0.085 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@@H](F)C[C@H]1C(=O)O 1590939195 PMZBMSZRKFTWNO-YUMQZZPRSA-N 275.280 -0.713 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)CCCC(=O)O)nc21 1594586582 RHDFNYTYVWLZSY-UHFFFAOYSA-N 294.271 -0.233 50 20 CBGD CN1C[C@@H](C(=O)NNc2ccc(CC(=O)O)cc2)NC1=O 1598560023 NTTXDDBMBDFVST-JTQLQIEISA-N 292.295 -0.220 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(C(=O)O)s1 1598651099 VNYCRUFRWWDOII-UHFFFAOYSA-N 279.299 -0.431 50 20 CBGD NC[C@@H](NC(=O)NNC(=O)C(=O)O)C1CCCCC1 1601181583 DAIJZGACOPZKEU-MRVPVSSYSA-N 272.305 -0.691 50 20 CBGD CCNC(=O)N(C)NC(=O)Cn1cccc(C(=O)O)c1=O 1605492621 AXPSUJYKJXHVNB-UHFFFAOYSA-N 296.283 -0.761 50 20 CBGD NC(=O)C(=O)NN=Cc1c(F)cc(C(=O)O)cc1F 1776015778 JTLIMDDBMPUABQ-UHFFFAOYSA-N 271.179 -0.402 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)/C=C/c1cccnc1 43119153 WAZNMQJOCJFIAH-AATRIKPKSA-N 276.296 -0.233 50 20 CBGD COc1ccnc(NNC(=O)c2cc[n+]([O-])cc2)n1 47493244 GBARJVAPSNMSPP-UHFFFAOYSA-N 261.241 -0.125 50 20 CBGD CN(C)CC(=O)NNC(=O)c1n[nH]c2c1CCC2 113427960 VARKAQRZGJFURJ-UHFFFAOYSA-N 251.290 -0.779 50 20 CBGD COC(=O)[C@@H]1CN(S(=O)(=O)CCCCl)CCO1 157062642 OIKRHDJPSCKPQE-QMMMGPOBSA-N 285.749 -0.181 50 20 CBGD O=C(CCC1CCC1)NNC(=O)C(=O)NC1CC1 175787065 IZXXEGGZSHWTOS-UHFFFAOYSA-N 253.302 -0.007 50 20 CBGD O=C(CO)NNC(=O)c1ccc(-n2ccnc2)cc1 180962220 VFEGFJZGFOOWOW-UHFFFAOYSA-N 260.253 -0.374 50 20 CBGD CN(C)c1cc(C(=O)NNC(=O)C(C)(C)O)ccn1 277080163 KNGFENVEUXHWKS-UHFFFAOYSA-N 266.301 -0.321 50 20 CBGD CC(=O)NNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 299215842 IPVIUTVRSJFSPT-LURJTMIESA-N 267.207 -0.436 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 377233982 AHMSUUZSWYVVNK-MXWKQRLJSA-N 282.344 -0.458 50 20 CBGD O=C(CCCNC(=O)C1CC1)Nc1cccc(B(O)O)c1 584910896 RZTSANKTVWKIBC-UHFFFAOYSA-N 290.128 -0.389 50 20 CBGD C[C@@](O)(CC(=O)Nc1cccc(B(O)O)c1)C1CC1 584913209 RDCDHBDUOWRHNT-CYBMUJFWSA-N 263.102 -0.144 50 20 CBGD C[C@@H](O)[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584965513 SCWQYIQFLVVCMO-ZYHUDNBSSA-N 277.129 -0.401 50 20 CBGD C[C@]1(NC(=O)c2ccc(B(O)O)c(F)c2)CCOC1 584967223 SHKDGOLIJNHGQS-LBPRGKRZSA-N 267.065 -0.586 50 20 CBGD C[C@H](O)[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584972145 OCMAORKGSQGTSB-WCBMZHEXSA-N 281.092 -0.652 50 20 CBGD C[C@@H]1[C@H](NC(=O)c2cccc(B(O)O)c2)CCCN1C 584975067 YFUCJEJGAFVGAQ-ZWNOBZJWSA-N 276.145 -0.421 50 20 CBGD C[C@@H]1[C@H](CO)CCN1C(=O)c1cc(B(O)O)ccc1F 584981047 AMQQPUUGUGBGPQ-BDAKNGLRSA-N 281.092 -0.652 50 20 CBGD COCCOCCCNCc1ccccc1B(O)O 585014972 KVCYRZRFZZZHLD-UHFFFAOYSA-N 267.134 -0.491 50 20 CBGD CCN(CCNCc1ccc(B(O)O)o1)C(C)C 585021516 WASHYTYCVNASDB-UHFFFAOYSA-N 254.139 -0.221 50 20 CBGD C[C@H](CS(C)(=O)=O)NCc1ccc(B(O)O)cc1F 585023630 KHPMKOYVDLSTOT-MRVPVSSYSA-N 289.137 -0.972 50 20 CBGD CSC[C@@](C)(O)CNCc1ccc(B(O)O)cc1 585024906 GWWOUURFEDWVTF-LBPRGKRZSA-N 269.175 -0.430 50 20 CBGD C[C@H]1C[C@@H](NCc2ccc(B(O)O)cc2)CCN1C 585027482 UWTBQAYLWMDCJA-FZMZJTMJSA-N 262.162 -0.061 50 20 CBGD CNC(=O)[C@H]1CCCC[C@@H]1NCc1cccc(B(O)O)c1 585029360 FWXVORRJLPOFBD-KBPBESRZSA-N 290.172 -0.239 50 20 CBGD OCC[C@@H]1CCC[C@@H]1NCc1ccc(B(O)O)o1 585036591 KCURWHGHAMVEHF-ONGXEEELSA-N 253.107 -0.400 50 20 CBGD CN1C[C@H](c2nc(-c3cccc(B(O)O)c3)no2)CC1=O 585053414 KJXFLSSWRRXWDT-SECBINFHSA-N 287.084 -0.638 50 20 CBGD O=C(NCB(O)O)[C@@H]1CCCN1C(=O)Cc1cccs1 585056641 ZQOUNHYLMMWOQV-JTQLQIEISA-N 296.157 -0.590 50 20 CBGD COc1cccc(OC)c1CC(=O)NCB(O)O 585059777 BBEXFVYPAZQYLI-UHFFFAOYSA-N 253.063 -0.626 50 20 CBGD CCOCC(=O)NNC(=O)NCc1cc(C)on1 731284552 ZXZDGEKLJRXOGB-UHFFFAOYSA-N 256.262 -0.150 50 20 CBGD C[C@@]1(C(=O)NNC(=O)N2CCOCC2)CCOC1 755197096 FDKVEAMAYPUFBC-LLVKDONJSA-N 257.290 -0.514 50 20 CBGD NC(=O)c1ccc(NNC(=O)Cc2ccco2)nn1 760690840 SDGAWPCTSHWKQG-UHFFFAOYSA-N 261.241 -0.146 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)CCc1ccccc1 761154013 DIYYDMMCRPEGLM-UHFFFAOYSA-N 278.312 -0.304 50 20 CBGD O=C(CO)NNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 761167500 PJJMXUBHRYHZFZ-UHFFFAOYSA-N 278.224 -0.171 50 20 CBGD CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)C(=O)N1CCCC1 793303990 IJWGMJUIWSBKDZ-VHSXEESVSA-N 285.344 -0.183 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)C1(C(N)=O)CC1 807370289 DNWVEIIGFTUIKO-UHFFFAOYSA-N 287.316 -0.812 50 20 CBGD COCCO[C@@H](C)C(=O)NN=Cc1ccn(C)n1 814865666 VUCVLJKVCCXILJ-VIFPVBQESA-N 254.290 -0.078 50 20 CBGD COC(=O)c1ccc(NNC(=O)C(OC)OC)nc1 821353833 BDSUUJVCSALZRU-UHFFFAOYSA-N 269.257 -0.070 50 20 CBGD CCCONC(=O)NN[C@]1(C)CCS(=O)(=O)C1 828247503 UNDJKTXYANCSKQ-SECBINFHSA-N 265.335 -0.291 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1O[C@H]2C=C[C@H]1CC2 831513572 BWTLAKPHKYPUQB-RYUDHWBXSA-N 259.070 -0.159 50 20 CBGD CCOC(=O)c1cc(C=NNC(=O)C(=O)NC2CC2)[nH]n1 842521910 QQYMNTRKDXQQNS-UHFFFAOYSA-N 293.283 -0.685 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)Cc1nnc(O)o1 852188324 HVJPDXZFVHCPJP-MRVPVSSYSA-N 299.331 -0.211 50 20 CBGD O=CN1CCC[C@H]1C(=O)NNC(=O)[C@@H]1CCCCO1 854683270 NGSASXAEGJMWNR-UWVGGRQHSA-N 269.301 -0.676 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H](OC)c1cnn(C)c1 854921690 WONQWGVBWIIHIK-QMMMGPOBSA-N 271.346 -0.425 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1COCCN1CC(F)F 854923028 XOOPUMYIBPPPDG-ZETCQYMHSA-N 296.343 -0.580 50 20 CBGD Cc1nn(C)cc1CC(=O)NNC(=O)c1cc[nH]n1 855355485 ZCSJKLOXRUDVKR-UHFFFAOYSA-N 262.273 -0.545 50 20 CBGD Cc1ccc(NNC(=O)[C@@H](CO)NC(N)=O)cc1F 856230069 HEGHWCPVORNTSH-SECBINFHSA-N 270.264 -0.394 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)c1cccc(F)n1 856421556 BAVSVXPFUTWYSZ-LURJTMIESA-N 268.248 -0.494 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)c2cccc(F)n2)CCC1 856424091 HVHAVWANAIRLEB-UHFFFAOYSA-N 294.286 -0.102 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1ncc(F)cc1F 857532989 CREWBBPGYCUZNL-YFKPBYRVSA-N 294.283 -0.259 50 20 CBGD C=CC(=O)N(C)CC(=O)NNC(=S)NCCSC 860540839 MECYUWSGUYHIBY-UHFFFAOYSA-N 290.414 -0.511 50 20 CBGD N#Cc1cccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 861184621 NYRLXDBMEGBPKT-MRVPVSSYSA-N 288.267 -0.615 50 20 CBGD CC(C)(C)n1cnc(C(=O)NNC(=O)c2cn[nH]c2)n1 862469681 AJBRHJWCGLKNDP-UHFFFAOYSA-N 277.288 -0.169 50 20 CBGD C/C(=C\C(=O)NNC(=O)CS(C)(=O)=O)C1CC1 863460426 WNAHRQABPYUHMT-FNORWQNLSA-N 260.315 -0.465 50 20 CBGD COC1(CC(=O)NNC(=O)CS(C)(=O)=O)CCC1 863464612 IYFXCIWKOYCGRZ-UHFFFAOYSA-N 278.330 -0.862 50 20 CBGD CCCCNC(=O)NNC(=O)c1cc(B(O)O)ccc1F 863871275 HODPMCNSPPDZCA-UHFFFAOYSA-N 297.095 -0.750 50 20 CBGD O=C1CN(CC(=O)NNc2ccc(F)cc2)CCN1 900091083 RCAPHNDCBVHBKA-UHFFFAOYSA-N 266.276 -0.299 50 20 CBGD CS(=O)(=O)N1CC(C(=O)N2CC=C(C#N)CC2)C1 901265299 GIODJBQKUPUCIK-UHFFFAOYSA-N 269.326 -0.440 50 20 CBGD CN1C(=O)CCC[C@H]1C(=O)NNC(=O)Cc1cccnc1 906570252 WKQSZOIXKSGLQX-NSHDSACASA-N 290.323 -0.218 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCc1ncccn1 1117665483 FZYVKYDLAJTXCT-UHFFFAOYSA-N 274.284 -0.098 50 20 CBGD Cc1cnc2nc(C(=O)NNC(=O)NC(C)C)nn2c1 1118636005 HQABGLDTMKFFRZ-UHFFFAOYSA-N 277.288 -0.215 50 20 CBGD COC(=O)Cc1ccc(NNC(=O)[C@H]2CC(=O)N2)cc1 1118776080 PTUHQUXADKENLF-SNVBAGLBSA-N 277.280 -0.266 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCCN(C(N)=O)C1 1119581780 MXRPBVITPREMBN-BDAKNGLRSA-N 258.322 -0.879 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@H]1CCS(=O)(=O)C1 1253374199 GYCSXOHHCNZXMZ-ORZBULNSSA-N 258.299 -0.266 50 20 CBGD CCOc1nc(C(=O)NNc2cnnn2C)co1 1261772838 LCQZWIRQFYDHES-UHFFFAOYSA-N 252.234 -0.041 50 20 CBGD Cc1ccncc1C(=O)NNC(=O)C(=O)NC(C)C 1318829833 FQFFYLHLMCOJME-UHFFFAOYSA-N 264.285 -0.324 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ncc(C(N)=O)cc1Cl 1319597753 CYJCLYJJDWWRFW-UHFFFAOYSA-N 299.718 -0.844 50 20 CBGD Cn1cc(C=NNC(=O)CNC(=O)c2ccco2)nn1 1319705181 FTUKVCRXLLKTMX-UHFFFAOYSA-N 276.256 -0.712 50 20 CBGD Cn1cc(C(=O)NNC(=O)Cc2cncn2C)cn1 1323202002 AIOZSXGQULGMEM-UHFFFAOYSA-N 262.273 -0.843 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)C1(C(=O)NC2CC2)CC1 1325352966 WQSMJYIENMVPQG-UHFFFAOYSA-N 291.311 -0.842 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cnnn1C 1326015093 BUUUKLUOGUHLFC-APPZFPTMSA-N 282.304 -0.930 50 20 CBGD COC(=O)c1ccc(C(=O)NNc2nc[nH]n2)o1 1326343716 OFKYGPRPCQIIFP-UHFFFAOYSA-N 251.202 -0.059 50 20 CBGD CC(C)(C(=O)NNC(=O)CS(C)(=O)=O)C(F)F 1331737003 SIEAWCNORBZLAI-UHFFFAOYSA-N 272.273 -0.530 50 20 CBGD CN(NC(=O)c1ccc(N2CCNC2=O)cc1)C(N)=O 1337072969 MJWZDNXDAZKKHA-UHFFFAOYSA-N 277.284 -0.129 50 20 CBGD Cc1oc2ncnc(O)c2c1C(=O)NNC(=O)CN(C)C 1339031414 CVMJFRVQDOPMOY-UHFFFAOYSA-N 293.283 -0.441 50 20 CBGD Cn1ccc(C(=O)NNc2ncnc3[nH]cnc23)n1 1339605066 PIWFCPXIYIXPAC-UHFFFAOYSA-N 258.245 -0.157 50 20 CBGD CC(C)[C@H](NC=O)C(=O)NNc1nncc(N)c1Cl 1351500045 RQTWYLXUSNGFNM-QMMMGPOBSA-N 286.723 -0.074 50 20 CBGD CC(C)CC(=O)NNC(=O)N[C@@H](C)[C@@H]1CN(C)CCN1C 1519901582 CLTLXTGJVAXLPX-RYUDHWBXSA-N 299.419 -0.003 50 20 CBGD NC[C@@H]1[C@H](C(=O)NNC(=O)c2ccccn2)C1(F)F 1580326894 OLDVJRKXPNVSRE-HTRCEHHLSA-N 270.239 -0.317 50 20 CBGD CC1(C)C[C@@]1(C(=O)O)C(=O)NNC(=O)c1cnn[nH]1 1589219275 LOJGREPQSPZPEC-JTQLQIEISA-N 267.245 -0.933 50 20 CBGD Cc1noc(C)c1[C@@H](C)CNC(=O)NNC(=O)C(=O)O 1600807368 IJEDVKHBRBEYHO-YFKPBYRVSA-N 284.272 -0.190 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCC[C@H](C(=O)O)C2)nn1 1600933212 XUTBNRSMCTXLGT-YUMQZZPRSA-N 295.299 -0.533 50 20 CBGD CCNC(=O)NNC(=O)Cc1ccc(-c2nn[nH]n2)nc1 1604354838 AVBUKLQYRBKDSF-UHFFFAOYSA-N 290.287 -0.846 50 20 CBGD CCC(CC)(NC(=O)c1cc(B(O)O)ccc1F)C(=O)O 1605007138 LNEJLBWWUQHTNF-UHFFFAOYSA-N 297.091 -0.121 50 20 CBGD Cc1cccc(OCC(=O)NNC(=O)[C@H]2COCCO2)c1 47954695 GDWQOLFWWJXUFU-GFCCVEGCSA-N 294.307 -0.063 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@H]1CC(=O)N(C)C1 67430433 KFKHBENBLXTNQE-VIFPVBQESA-N 291.307 -0.066 50 20 CBGD CNC(=O)C1CCN(S(=O)(=O)CCl)CC1 82511884 PSNYEOOBWJFKPI-UHFFFAOYSA-N 254.739 -0.030 50 20 CBGD CN(CC(=O)NNc1cccc(C#N)c1)S(C)(=O)=O 152321567 POQPLVKWHLNBOY-UHFFFAOYSA-N 282.325 -0.107 50 20 CBGD CCN(C)S(=O)(=O)NNC(=O)c1ccccn1 266811763 WDKYEBMNGYVIFI-UHFFFAOYSA-N 258.303 -0.488 50 20 CBGD CNC(=O)NCCC(=O)NNC(=O)c1ccccc1OC 293994760 DGLMPXXVZXYMBN-UHFFFAOYSA-N 294.311 -0.225 50 20 CBGD CN1CCOc2ccc(NC(=O)NNC(=O)CO)cc21 371865371 UQTVQNYZUXEJGD-UHFFFAOYSA-N 280.284 -0.340 50 20 CBGD C[C@H](C[S@@](C)=O)N(C)Cc1ccc(B(O)O)cc1 399962085 SNMZMCHHOBINQD-MLCYQJTMSA-N 269.175 -0.435 50 20 CBGD COc1ncc(/C=C\C(=O)NN(C)C(N)=O)cn1 492654275 SGDXHGLBXUPTOC-ARJAWSKDSA-N 251.246 -0.460 50 20 CBGD CC[C@@H](C)C(=O)NCC(=O)Nc1cccc(B(O)O)c1 584911422 VOXBACXJTRWHTR-SECBINFHSA-N 278.117 -0.533 50 20 CBGD C[C@@H]1CN(C)C[C@H]1C(=O)Nc1cccc(B(O)O)c1 584912919 XTSXGLVTIURFCY-BXKDBHETSA-N 262.118 -0.497 50 20 CBGD O=C(NCCO[C@@H]1CCCCO1)c1ccc(B(O)O)cc1 584991059 SZYZTJSQUFIFCW-CYBMUJFWSA-N 293.128 -0.361 50 20 CBGD CC(C)[C@H](NCc1ccc(B(O)O)cc1F)C(=O)N(C)C 585018771 RTHXTNXCTHBEAZ-ZDUSSCGKSA-N 296.151 -0.292 50 20 CBGD C[C@H](NCc1ccccc1B(O)O)[C@H](C)N1CCOCC1 585024125 QPJZIJLVTPJSPL-STQMWFEESA-N 292.188 -0.435 50 20 CBGD CNC(=O)[C@H]1CCCC[C@H]1NCc1cccc(B(O)O)c1 585029363 FWXVORRJLPOFBD-UONOGXRCSA-N 290.172 -0.239 50 20 CBGD COCCN1CC[C@@H](NCc2ccc(B(O)O)cc2)C1 585030316 YUVKDOQSJFAOOI-CQSZACIVSA-N 278.161 -0.823 50 20 CBGD Cc1noc([C@@H](C)NCc2ccc(B(O)O)o2)n1 585037673 GMVNQZTYKVQEJZ-ZCFIWIBFSA-N 251.051 -0.498 50 20 CBGD CC[C@H](C)[C@H](NCc1ccc(B(O)O)o1)C(=O)N(C)C 585039801 YTVRIRJNGGJCHU-CABZTGNLSA-N 282.149 -0.448 50 20 CBGD C[C@]1(CNCc2ccc(B(O)O)cc2F)CCC(=O)N1 585044628 OLXNENAORFUTGJ-CYBMUJFWSA-N 280.108 -0.736 50 20 CBGD CCCN1C[C@@H](CNCc2ccc(B(O)O)o2)CC1=O 585047501 DPRNQPDRXCRCIB-SNVBAGLBSA-N 280.133 -0.693 50 20 CBGD CCCN(C)S(=O)(=O)N1CC[C@@H](B(O)O)C1 585058768 PGTRGUJJEXKPSI-MRVPVSSYSA-N 250.129 -0.878 50 20 CBGD O=C(NCB(O)O)[C@H](c1ccccc1)n1cccn1 585059416 MTISVEUQIUTHRB-NSHDSACASA-N 259.074 -0.399 50 20 CBGD O=C(NCB(O)O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 585059919 GIYPXIFVXQZTQD-SNVBAGLBSA-N 297.164 -0.521 50 20 CBGD C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](B(O)O)C1 585070068 VVPBZFRCSAGXSG-RKDXNWHRSA-N 270.138 -0.388 50 20 CBGD O=C([C@@H]1COc2ccccc2O1)N1CC[C@@H](B(O)O)C1 585071163 NRJLTVHQAUKKPF-SKDRFNHKSA-N 277.085 -0.098 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@@H]1C[C@H]1C(=O)O 739217691 ZPMPYNKOZVQDIJ-QWWZWVQMSA-N 254.164 -0.193 50 20 CBGD CCCNC(=O)CNC(=O)NNC(=O)Cc1ccncc1 747490386 KHCYDITWLJDJRC-UHFFFAOYSA-N 293.327 -0.519 50 20 CBGD C[S@@](=O)c1cccc(NC(=O)NNC(=O)CO)c1 756527489 SSYYGBYGNUNNGZ-GOSISDBHSA-N 271.298 -0.431 50 20 CBGD O=C(CNC(=O)c1cccnc1)NNC(=O)C1CC1 763812903 CYYVCZGIVQNPOB-UHFFFAOYSA-N 262.269 -0.631 50 20 CBGD CN(NC(=O)COc1ccc2c(c1)CCC(=O)N2)C(N)=O 778415070 NPLDULULASLASK-UHFFFAOYSA-N 292.295 -0.008 50 20 CBGD O=C1CN(CCNS(=O)(=O)CCCCCl)CCN1 780840665 NDAUYTLRGBOTGF-UHFFFAOYSA-N 297.808 -0.643 50 20 CBGD O=C(NNC(=O)c1cccn2c(O)nnc12)c1ccncc1 780849947 RYERABIPILNRDF-UHFFFAOYSA-N 298.262 -0.095 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cnn(CCF)c2)cn1 806880941 BWQCZOBYXOOBNI-UHFFFAOYSA-N 280.263 -0.339 50 20 CBGD C[C@H]1C[C@H](C(=O)NNC(=O)N2CCN(C)CC2)CO1 807378952 NNIDRBNKTCBTEB-UWVGGRQHSA-N 270.333 -0.600 50 20 CBGD COc1ccc(S(=O)(=O)NNC(C)=O)c([N+](=O)[O-])c1 817926216 AKCMJCBPLFPHBT-UHFFFAOYSA-N 289.269 -0.067 50 20 CBGD CCCCCS(=O)(=O)CC(=O)NN(CC)CCO 823856589 VIKFVLKDWPJQKT-UHFFFAOYSA-N 280.390 -0.063 50 20 CBGD CCN(CCO)NC(=O)c1ccc(=O)n(CC)n1 823859943 FBWDMTARIDAWTA-UHFFFAOYSA-N 254.290 -0.778 50 20 CBGD CCN(CCO)NC(=O)[C@H](CC(C)C)NC(C)=O 823874855 ZDGSLEGSMIRBSR-NSHDSACASA-N 259.350 -0.117 50 20 CBGD CCC(=O)N1CC[C@@H](C(=O)NN(C)[C@H](C)CO)C1 823946297 GWNLODQZIZRPJP-NXEZZACHSA-N 257.334 -0.411 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(CN(C)C)CC1 824017017 YBEPWFXAERHJSA-UWVGGRQHSA-N 269.345 -0.099 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NOC[C@@H]1CCOC1 826598076 NKQRQQVTSQDFCS-AEJSXWLSSA-N 287.316 -0.290 50 20 CBGD C[C@@H](C(=O)O)n1cccc1C=NNC(=O)[C@@H]1COCCO1 833408402 UNRPYVKGCTUJMG-ONGXEEELSA-N 295.295 -0.001 50 20 CBGD CCN(C)S(=O)(=O)NNC(=O)[C@H]1CCO[C@@H]1C 842593530 VTCQXCPXYUUARY-SFYZADRCSA-N 265.335 -0.771 50 20 CBGD CCONC(=O)CNC(=O)NNc1ccccn1 845552363 DIIYLGHAJYRQTE-UHFFFAOYSA-N 253.262 -0.225 50 20 CBGD O=C(NC[C@H]1C[C@@H](O)C1)c1cc(B(O)O)ccc1F 863887179 DORUNMUHKQWLQI-OTSSQURYSA-N 267.065 -0.994 50 20 CBGD CCOC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](B(O)O)C2)C1 864232724 BMZFVHUZPXOUBX-MNOVXSKESA-N 298.148 -0.070 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CCc2cncn2C1 869903577 DSAWRJRJCOWYCL-SNVBAGLBSA-N 296.327 -0.744 50 20 CBGD COCCOCC(=O)NNC(=O)C1SCCCS1 869905119 IOSNDPZIMJHKCX-UHFFFAOYSA-N 294.398 -0.007 50 20 CBGD COC(=O)N(C)NC(=O)NCCN1CCOC[C@@H]1C 875235338 GEUQYHCPAOWNTQ-VIFPVBQESA-N 274.321 -0.381 50 20 CBGD C=CCNC(=S)NNC(=O)Cn1ccc(C(=O)OC)n1 899938920 CBHUTWNHVRRDRG-UHFFFAOYSA-N 297.340 -0.649 50 20 CBGD C[C@@H](CC[S@](C)=O)NC(=O)c1ccc(B(O)O)cc1 900880207 SQZOKCXAUZMGLJ-UGZDLDLSSA-N 283.158 -0.747 50 20 CBGD Cc1onc(CC(=O)NNC(=O)C(=O)NC(C)C)c1C#N 1320175879 XDTVCUBSVFMAIB-UHFFFAOYSA-N 293.283 -0.931 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCCCNC(N)=O 1326381269 KOPICIBQGTYWDU-DTWKUNHWSA-N 286.332 -0.603 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(C(N)=O)c[nH]1 1326662009 RKADALMHULPGPJ-POYBYMJQSA-N 280.284 -0.700 50 20 CBGD O=C(NNC(=O)N1CCO[C@@H]2C[C@@H]21)c1cn[nH]c1 1329759757 QJKLRQZZTHTMFA-JGVFFNPUSA-N 251.246 -0.763 50 20 CBGD COC(=O)C(=O)NNC(=O)NC1CCN(C(C)C)CC1 1330487840 FJVJMJXMHXZCAW-UHFFFAOYSA-N 286.332 -0.637 50 20 CBGD C[C@H](NNC(=O)C[C@H]1CC(=O)NC1=O)C(F)(F)F 1333486081 YSZXPLIFAVFLLN-CRCLSJGQSA-N 267.207 -0.389 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(C(=O)NC)CC1 1340794527 BLZFZCZWJVXFHH-SECBINFHSA-N 284.360 -0.610 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cnccc1OC 1342588948 AAUPOEIEAPPBLW-UHFFFAOYSA-N 266.257 -0.414 50 20 CBGD C[C@@H]1COCC[C@H]1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1348111594 ZWVFOCAZDLNYMV-KXUCPTDWSA-N 298.343 -0.732 50 20 CBGD O=C(CC[C@H]1NC(=O)NC1=O)NNc1ncc(F)cc1F 1351032136 BILAWFVDOCJKHS-SSDOTTSWSA-N 299.237 -0.209 50 20 CBGD Cc1conc1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1351521621 JRWAGKSIYOKKTC-LURJTMIESA-N 267.245 -0.586 50 20 CBGD CCO/C=C(/C#N)C(=O)NCC(=O)N1CCN(C)CC1 1529213019 UOKHHCXQBNBJRQ-KHPPLWFESA-N 280.328 -0.679 50 20 CBGD N[C@H](C(=O)NNC(=O)c1cc[nH]n1)c1ccccc1 1574262605 NPHDJIJEFUWOJM-JTQLQIEISA-N 259.269 -0.129 50 20 CBGD N#Cc1csc(C(=O)NNC(=O)[C@H]2CCN2)c1 1580081780 RKCMQZDMKJSRRX-SSDOTTSWSA-N 250.283 -0.257 50 20 CBGD N[C@@H](C(=O)NNC(=O)c1ncon1)c1c(F)cccc1F 1580115051 KAWMQSHTPUBROK-MRVPVSSYSA-N 297.221 -0.191 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)NC1CCNCC1 1580736264 QEBPBAVHPOWMNV-NXEZZACHSA-N 292.343 -0.404 50 20 CBGD C=C(CCC(=O)O)C(=O)NNC(=O)c1ncccn1 1588630428 KNNUWVOLFWBMKF-UHFFFAOYSA-N 264.241 -0.341 50 20 CBGD CC(C)(C)N1CCC(NC(=O)NNC(=O)C(=O)O)CC1 1589806527 QOFQQNCNKZAXLI-UHFFFAOYSA-N 286.332 -0.336 50 20 CBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=O)N=c1cc[nH]cc1 1593927008 RXQDRHQHRADJQD-LLVKDONJSA-N 282.256 -0.854 50 20 CBGD Cc1cc(C(=O)NNC(=O)C2(C(=O)O)CC=CC2)n[nH]1 1594281196 YQIJQRWEUHBANW-UHFFFAOYSA-N 278.268 -0.100 50 20 CBGD O=C(NNC(=O)[C@@H]1CC[C@H]1C(=O)O)c1ccccn1 1594783042 SLJQXCHPXXWVFM-HTQZYQBOSA-N 263.253 -0.047 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CC[C@](O)(C(=O)O)C1 1596860269 IFLJRPOICDFBNE-BPOWMSRESA-N 254.242 -0.522 50 20 CBGD O=C(CCc1ocnc1C(=O)O)NNC(=O)C1CC1 1601296781 LFBMKQXWPMCGOI-UHFFFAOYSA-N 267.241 -0.137 50 20 CBGD O=C(NCc1cc(F)cnc1Cl)NNC(=O)C(=O)O 1601531416 VOWCYXUIAAZLDT-UHFFFAOYSA-N 290.638 -0.211 50 20 CBGD CCOC(=O)NCC(=O)NNc1ccc(C(=O)O)cn1 1610018227 FPJFCXXGNWPPKP-UHFFFAOYSA-N 282.256 -0.031 50 20 CBGD N#Cc1cccc(S(=O)(=O)NNC(=O)NCC(=O)O)c1 1610632427 NIKUDWZXEXSZFD-UHFFFAOYSA-N 298.280 -0.865 50 20 CBGD CC(=O)NCCNC(=O)NNC(=O)OC(C)(C)C 43141097 VAFPGCZJPZWXHD-UHFFFAOYSA-N 260.294 -0.139 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc2c(c1)nnn2C 113424645 NEIVZHRRJMPRLG-UHFFFAOYSA-N 276.300 -0.709 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)c2ccc[nH]2)nc1 132321106 ACRIESFATNXENM-UHFFFAOYSA-N 273.252 -0.417 50 20 CBGD CCNC(=O)NNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 139209389 YNXMNYNWDQBOJE-UHFFFAOYSA-N 291.267 -0.820 50 20 CBGD CN1CC[C@@H](NC(=O)NNc2ccc(Cl)nn2)C1=O 172404675 JOMHSBISWZKKDG-ZCFIWIBFSA-N 284.707 -0.013 50 20 CBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)c1cc(C)n[nH]1 268818339 JCRGJNYGRCKLHA-ZCFIWIBFSA-N 268.273 -0.322 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cc(F)cc2[nH]nnc12 282714794 LBOLFXAIIQJLOY-UHFFFAOYSA-N 281.247 -0.371 50 20 CBGD CC(C)(O)C(=O)NNC(=O)/C=C/C1CCOCC1 492948358 GOARYZXMTHYJKI-ONEGZZNKSA-N 256.302 -0.113 50 20 CBGD C[C@@H](NC(=O)c1ccc(B(O)O)cc1)[C@@H](C)n1cncn1 584943284 HMAYATWNSLRGMI-NXEZZACHSA-N 288.116 -0.663 50 20 CBGD O=C(NCCCCn1cnnc1)c1cccc(B(O)O)c1 584955917 RTSFFBWQZZCHNX-UHFFFAOYSA-N 288.116 -0.832 50 20 CBGD CCN1CCC[C@@H](CNC(=O)c2cccc(B(O)O)c2)C1 584968035 GPBAEBZXHOAUFS-LBPRGKRZSA-N 290.172 -0.172 50 20 CBGD CC1(C#N)CN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584981743 AQNBKECZCVFYPP-UHFFFAOYSA-N 262.049 -0.509 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@H](F)C1 584994676 CQQDLRKMIHHCGJ-QMMMGPOBSA-N 255.029 -0.311 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H](CCCO)C1 584998155 BBLXKCAKZRTVRQ-NSHDSACASA-N 277.129 -0.399 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCn3ccnc3C2)cc1 585036420 IYXGETWCIOCDBD-ZDUSSCGKSA-N 271.129 -0.333 50 20 CBGD OC[C@@H](CCF)NCc1ccc(B(O)O)cc1F 585045641 KPWXCZMODHLUAM-SNVBAGLBSA-N 259.061 -0.684 50 20 CBGD Cc1ccc(/C=C/S(=O)(=O)NCB(O)O)cc1 585054066 HDXUDQMAZPZZIV-VOTSOKGWSA-N 255.104 -0.103 50 20 CBGD CCC[C@@H](C)N1C[C@@H](C(=O)NCB(O)O)CC1=O 585061777 GTRYAYYUBQORHX-BDAKNGLRSA-N 256.111 -0.848 50 20 CBGD CCn1cnc2c(N3CC[C@H](B(O)O)C3)ncnc21 585072349 ABOANTYZUMWOAQ-QMMMGPOBSA-N 261.094 -0.101 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CCc2nc(C)nn2C1 731282669 UXUBOGUJENMZKV-VIFPVBQESA-N 296.331 -0.732 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H](C)COCCOC 745864437 QGZLQIJEJLUADK-VIFPVBQESA-N 277.321 -0.595 50 20 CBGD COC(=O)C[C@H]1CCCN1CC(=O)NNC(=O)C1CC1 749466477 ULDPMDNPYGJEOB-SNVBAGLBSA-N 283.328 -0.429 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CCc1ccoc1 753278974 HJCZAHXCYVGCSY-UHFFFAOYSA-N 267.285 -0.116 50 20 CBGD C[C@@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)Cc1cc[nH]n1 755268831 ITXHDYPNKCOGCM-MRVPVSSYSA-N 295.343 -0.350 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)Nc1cnns1 755373576 FAFJHQQWLRQSMC-UHFFFAOYSA-N 267.274 -0.343 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(C(=O)O)cc1C 757655180 KPBAGAHCDQBOLL-UHFFFAOYSA-N 287.297 -0.184 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](C)C(C)(C)C 758040176 OJRTXGVGKINLRV-SFYZADRCSA-N 293.389 -0.246 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C1(O)CCSCC1 765004089 DYTXPXWMSFADAW-UHFFFAOYSA-N 284.341 -0.263 50 20 CBGD O=C1CC[C@H](C(=O)NN=c2cc[nH]cc2Cl)N1 768443903 GOUMBIWXLLFMOZ-MRVPVSSYSA-N 254.677 -0.121 50 20 CBGD CN1CC[C@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)C1 792849541 JNUNPWQADGXTEJ-QWRGUYRKSA-N 289.401 -0.570 50 20 CBGD COC(=O)c1ccc(C(=O)NN(C)C(N)=O)n1C 815900875 VDIJNATZJHTNPN-UHFFFAOYSA-N 254.246 -0.533 50 20 CBGD CCn1nncc1C(=O)NNC(=S)NCCSC 815915088 CRCHJUXLNNLMHY-UHFFFAOYSA-N 288.402 -0.230 50 20 CBGD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NNC(=O)CC1CC1 819140124 CUPLBJXLHDVECU-CPCISQLKSA-N 283.328 -0.791 50 20 CBGD C[C@@H](NC(=S)NNC(=O)C[C@@H]1CC(=O)NC1=O)C1CC1 824446176 HWUKEEFNZAYOKF-SVRRBLITSA-N 298.368 -0.667 50 20 CBGD Cc1cc(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n[nH]1 826056937 ZQQNIPYOJDSKNY-WCBMZHEXSA-N 281.316 -0.026 50 20 CBGD O=C(NNC(=O)C1CCC1)c1c[nH]c(-c2nn[nH]n2)c1 826444411 FNEFJHRBFXVIAF-UHFFFAOYSA-N 275.272 -0.244 50 20 CBGD C[C@@H]1SCC[C@@H]1NC(=O)NNC(=O)C(=O)NC1CC1 828525454 RJYWRVOVVZJCDR-XPUUQOCRSA-N 286.357 -0.511 50 20 CBGD CC(C)(O)C(=O)NNC(=O)COc1ccc(CO)cc1 832754965 XGBPKYOIMDXAFZ-UHFFFAOYSA-N 282.296 -0.524 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=S)NCCN(C)C 843277405 QAGISUJRNLEVNN-DTWKUNHWSA-N 274.390 -0.532 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 844620197 SEIKMOWBAJJPTL-SCZZXKLOSA-N 285.344 -0.279 50 20 CBGD CNC(=S)N(C)NC(=O)c1cc(C)nc(NC)n1 854920725 TZJBTJDBYCDYMH-UHFFFAOYSA-N 268.346 -0.092 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2ncncc2C1)c1cc[nH]n1 855354641 GTDAOEOYIMDKQP-QMMMGPOBSA-N 286.295 -0.234 50 20 CBGD CCc1ncsc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862458089 XECUYYQBYGSLFK-SSDOTTSWSA-N 282.325 -0.255 50 20 CBGD CC(=O)CC(C)(C)CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862458392 FFZCFATYWPQJDX-SECBINFHSA-N 283.328 -0.192 50 20 CBGD Cc1ccc(C(=O)NNC(=O)c2cn(C)c(=O)n2C)o1 900989369 QJGVDTAWLJWAHY-UHFFFAOYSA-N 278.268 -0.300 50 20 CBGD C[C@H](NC(=O)c1ccoc1)C(=O)NN(C)C[C@@H](C)O 910170460 LVSPZQGDNPBIHK-BDAKNGLRSA-N 269.301 -0.258 50 20 CBGD O=C(NNC(=O)[C@H]1CCCOC1)C(=O)Nc1ccccn1 1116262638 ZDUASHIKLAMOAT-VIFPVBQESA-N 292.295 -0.406 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1COc2ccccc2C1 1252438837 SLUOLFFVRCJUGO-SECBINFHSA-N 293.279 -0.507 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1COc2ccccc21 1261211667 DIIIVDASIGYKQY-MRVPVSSYSA-N 293.279 -0.334 50 20 CBGD C[C@H](C(=O)NNC(=O)CC1CC1)n1cnc(C#N)n1 1261251392 WFDBBMMQEBCRSF-SSDOTTSWSA-N 262.273 -0.342 50 20 CBGD Cc1noc(C)c1C=NNC(=O)[C@H](C)NS(C)(=O)=O 1318266298 KOXKVPCQWWYCGA-ZETCQYMHSA-N 288.329 -0.321 50 20 CBGD Cc1ccc(NNC(=O)N[C@@H]2CCS(=O)(=O)C2)nn1 1318306508 KOJMGXRYYQYIIM-MRVPVSSYSA-N 285.329 -0.402 50 20 CBGD CC(C)c1cnc(NC(=O)C(=O)NNC(=O)CO)s1 1320866732 LOSRMDPBMRLKHW-UHFFFAOYSA-N 286.313 -0.655 50 20 CBGD CCNC(=O)N(C)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 1321887795 RJCHJMGSHRLNPU-MRVPVSSYSA-N 292.361 -0.609 50 20 CBGD CCN(CC)C[C@H](C)NC(=O)NNC(=O)C(=O)OC 1323432189 IDBNEKWUZGKDQB-QMMMGPOBSA-N 274.321 -0.780 50 20 CBGD Cn1c(N)nc(Cl)c1C=NNC(=O)CN1CCCC1=O 1324925196 TXBAFWWSXJKJLZ-UHFFFAOYSA-N 298.734 -0.272 50 20 CBGD NC(=O)C(=O)NN=Cc1ccc(O[C@@H]2CCOC2)cc1 1327983385 CFVOHAIQRSOZLG-LLVKDONJSA-N 277.280 -0.210 50 20 CBGD Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](B(O)O)C1 1329214963 LYUUKFTXXMNCFX-SECBINFHSA-N 296.092 -0.435 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ccc(O)cc2O)CC1 1334390909 ZMWCMRVGZCCLER-UHFFFAOYSA-N 294.311 -0.300 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccncc1 1347870774 IVJPUOYNBNSZQW-NWDGAFQWSA-N 293.323 -0.005 50 20 CBGD CCOC(=O)[C@H](NC(=O)c1cccc(B(O)O)c1)C1CC1 1348467436 BTGQBZPINJZTKA-GFCCVEGCSA-N 291.112 -0.562 50 20 CBGD O=C(NCC1CC1)C(=O)NNC(=S)Nc1ccccn1 1349007549 VBVHKCMRNXZYMS-UHFFFAOYSA-N 293.352 -0.075 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1 1592762188 OTKNCHHYNOUOHZ-BZNPZCIMSA-N 260.290 -0.792 50 20 CBGD CCOCC(=O)NNC(=O)Nc1ccc(C(=O)O)nc1 1596862045 ULSAERLQMAAPRW-UHFFFAOYSA-N 282.256 -0.031 50 20 CBGD COC(=O)C(=O)NN=Cc1cccn1CC(=O)O 1598685156 RNGGRYXCESSVQM-UHFFFAOYSA-N 253.214 -0.804 50 20 CBGD COc1cc(C=NNC(=O)C(=O)O)cc(O)c1O 1607153620 SKGMUTOWGFLMGK-UHFFFAOYSA-N 254.198 -0.359 50 20 CBGD Cc1cc(NC(=O)c2cccc(B(O)O)c2)c(C(=O)O)[nH]1 1607692035 RKVHMSLBARWPRW-UHFFFAOYSA-N 288.068 -0.047 50 20 CBGD CC(C)NC(=O)NNC(=O)C12CC(C(=O)O)(C1)C2 1609707677 RQUUGJHKCYURAS-UHFFFAOYSA-N 255.274 -0.020 50 20 CBGD CCO[C@H]1C[C@@H]1C(=O)NNC(=O)C(=O)Nc1ccccn1 268226911 DKTPGYOJYAUDJO-IUCAKERBSA-N 292.295 -0.408 50 20 CBGD Cc1cscc1NC(=O)C(=O)NNC(=O)CN(C)C 274097790 VYBHNHQWHOUMMA-UHFFFAOYSA-N 284.341 -0.296 50 20 CBGD CCNC(=O)CCCC(=O)NNC(=O)C(C)(C)O 276254828 MPUFCQXYCSPVPD-UHFFFAOYSA-N 259.306 -0.789 50 20 CBGD CC[C@@](C)(OC)C(=O)NNC(=O)C(=O)N1CCCC1 280033660 LJTVBPYGMZCFFP-GFCCVEGCSA-N 271.317 -0.429 50 20 CBGD Cn1cccc1C(=O)NNC(=O)C1(S(C)(=O)=O)CCC1 280276313 NSQOIKDIHOJXTQ-UHFFFAOYSA-N 299.352 -0.247 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)O)cc1 282780374 LJKLUHQBEOOHMJ-QMMMGPOBSA-N 265.269 -0.538 50 20 CBGD OC[C@@H]1C[C@H](O)CN1CCI 306328940 YTCPSHGBTUTEKP-BQBZGAKWSA-N 271.098 -0.151 50 20 CBGD NNC(=O)NCCN1CCN(Cc2ccccc2)CC1 390970798 RNMLEGRSBYRDRO-UHFFFAOYSA-N 277.372 -0.023 50 20 CBGD N#C/C(=C/c1cn(CC(=O)O)nn1)C(=O)N=c1cc[nH]cc1 490814289 UJHDXNCOTLIDBU-UITAMQMPSA-N 298.262 -0.275 50 20 CBGD CN1C(=O)C[C@H](NC(=O)/C(C#N)=C\c2cnn(C)c2)C1=O 491005639 BIYAEJSFKPBCAT-BNFOFFDWSA-N 287.279 -0.799 50 20 CBGD COC(C)(C)CNC(=O)c1ccc(B(O)O)cc1 584955410 MZUPCABQNARRLL-UHFFFAOYSA-N 251.091 -0.479 50 20 CBGD C[C@@H]1[C@@H](NC(=O)c2ccc(B(O)O)cc2)CCCN1C 584972739 GBUBYWURLHSJCS-MFKMUULPSA-N 276.145 -0.421 50 20 CBGD CC[C@](NC(=O)c1ccc(B(O)O)cc1)(C(N)=O)C1CC1 584974965 CMBOVYQQDNPNQX-CQSZACIVSA-N 290.128 -0.860 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@@]12CCOC2 584994320 NLKJFYUGFHDKGK-AWEZNQCLSA-N 293.103 -0.099 50 20 CBGD CC[C@@H](CO)N(C)C(=O)c1cccc(B(O)O)c1 584994550 KNFXLWCEKOISMC-NSHDSACASA-N 251.091 -0.791 50 20 CBGD C[C@H](CCNCc1ccc(B(O)O)o1)[S@@](C)=O 585034370 PBDSDYHYLAUBOG-CQLKUDPESA-N 259.136 -0.794 50 20 CBGD CNC(=O)[C@H](CCSC)NCc1ccc(B(O)O)cc1 585041636 RMKUYRKEBCGMOT-LBPRGKRZSA-N 296.201 -0.676 50 20 CBGD O=S(=O)(CC1Cc2ccccc2C1)NCB(O)O 585059763 YXBTUNJBIXJJMS-UHFFFAOYSA-N 269.131 -0.667 50 20 CBGD Cc1c(C(=O)NCB(O)O)nnn1-c1ccc(F)c(F)c1 585063197 SXVULSYMAXCRNI-UHFFFAOYSA-N 296.042 -0.404 50 20 CBGD NC(=O)Nc1ccc(C(=O)NNC(=O)c2cnn[nH]2)cc1 729456991 RXMDHAJPRJGZSB-UHFFFAOYSA-N 289.255 -0.630 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1C[C@H](C)N(C)C1 761810650 SUERDBKZFKIWJB-YUMQZZPRSA-N 276.362 -0.880 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CCN(C)C1CC1 770689004 PBPBJZQEZNWRDE-SNVBAGLBSA-N 270.377 -0.042 50 20 CBGD O=C(CO)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772884088 IEDRCSOIMQGBRX-UHFFFAOYSA-N 285.687 -0.904 50 20 CBGD NS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CCCO1 788223089 FGAGEASWJYMUDR-VIFPVBQESA-N 285.325 -0.044 50 20 CBGD CCOCC(=O)NNC(=O)Nc1ccnnc1OC 808901760 JVLSKAHXNSNUES-UHFFFAOYSA-N 269.261 -0.326 50 20 CBGD CC(=NNC(=O)CNC(=O)c1ccco1)c1cnnn1C 814826936 NSCNJFFJCBCGAP-UHFFFAOYSA-N 290.283 -0.322 50 20 CBGD CCCCNC(=O)NNC(=O)CCn1ncn(C)c1=O 815113543 GCVXJVSHFDHVHQ-UHFFFAOYSA-N 284.320 -0.898 50 20 CBGD CN(NC(=O)CSCC(=O)N1CCOCC1)C1CC1 819640884 GHXUAIQNLZATRX-UHFFFAOYSA-N 287.385 -0.296 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccc2c(c1)N(C)C(=O)CO2 821217568 LCMRMXCEGBSNFT-VIFPVBQESA-N 293.323 -0.001 50 20 CBGD O=C(NNc1nc(-c2ccncc2)no1)[C@H]1CNCCO1 828217498 AREMIPQYUJUCIW-SECBINFHSA-N 290.283 -0.437 50 20 CBGD CCCNCCNC(=O)NNC(=O)Cn1nc(C)cc1C 841962242 YFHXIRBJNXOINL-UHFFFAOYSA-N 296.375 -0.170 50 20 CBGD Cc1nccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n1 843645193 LYEVJDUWBZWKMB-APPZFPTMSA-N 264.285 -0.029 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cncn1C 843660276 WEYURQQNWRTZDL-HTQZYQBOSA-N 252.274 -0.394 50 20 CBGD CCN1C[C@@H](CNC(=O)NNC(=O)C2CCC2)CC1=O 845498263 WOQRGAMWYKIHJG-SECBINFHSA-N 282.344 -0.015 50 20 CBGD COC(=O)C[C@H](C)CC(=O)NNC(=O)c1ncccn1 848225944 KOSYBLXLPGJQHL-MRVPVSSYSA-N 280.284 -0.173 50 20 CBGD O=C(NNC(=O)c1cccc(F)n1)N[C@@H](CO)C1CC1 852709304 RENUOGGSGBUOOI-VIFPVBQESA-N 282.275 -0.064 50 20 CBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=O)CC(F)(F)F 855000434 IDXADLHCBZYHPY-WVZVXSGGSA-N 269.179 -0.417 50 20 CBGD O=C1C[C@H](C(=O)NNC(=O)OCC(F)(F)F)N1 856026190 PZJAONWJBGXQLT-GSVOUGTGSA-N 255.152 -0.805 50 20 CBGD CN(CCn1cccn1)C(=O)NNC(=O)c1cn[nH]c1 858705042 UUTVZMCCOHODAS-UHFFFAOYSA-N 277.288 -0.407 50 20 CBGD CO[C@@H](CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(F)(F)F 862463545 HFOQIZCQWLDITL-WDSKDSINSA-N 297.233 -0.620 50 20 CBGD O=C(NNC(=O)C1(C(=O)C2CC2)CC1)c1cn[nH]c1 862469798 TYUIQPRMOZMRTF-UHFFFAOYSA-N 262.269 -0.070 50 20 CBGD Cc1cccc(NNC(=O)C2=NN(CCO)C(=O)CC2)n1 862521694 XGGBUEQFOJGJRH-UHFFFAOYSA-N 291.311 -0.196 50 20 CBGD CON1CCC(=NNC(=O)[C@H]2CCC(=O)N2)CC1 863151804 UPGOVTWAIRLILB-SECBINFHSA-N 254.290 -0.606 50 20 CBGD C/C(=C/C(=O)NNC(=O)CS(C)(=O)=O)c1ccco1 863466916 GTIXSPIDIKIPFN-VURMDHGXSA-N 286.309 -0.125 50 20 CBGD CCOC(=O)[C@@H](C)CNC(=O)c1ccc(B(O)O)cc1 863875738 BWRVYKUGKVMRSV-VIFPVBQESA-N 279.101 -0.705 50 20 CBGD C#CCC[C@H](O)CNC(=O)c1cc(B(O)O)ccc1F 863880469 ARXYZFOXSRCZRT-JTQLQIEISA-N 279.076 -0.990 50 20 CBGD CCOCCOCCNCc1cccc(B(O)O)c1 897203650 AXOISKHSXVDTEH-UHFFFAOYSA-N 267.134 -0.491 50 20 CBGD C[C@H](NC(=O)NNC(=O)CC(F)(F)F)C(=O)N(C)C 918069134 BRZCCIJNNGMBAM-YFKPBYRVSA-N 284.238 -0.254 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H]1CC(=O)N(CC)C1 921039257 LWWNMFFYJHFPBY-MRVPVSSYSA-N 256.306 -0.405 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCC[C@@H](N(C)C)C1 1116204582 KOWYMMBZDIHYFT-RKDXNWHRSA-N 286.332 -0.637 50 20 CBGD CN(C)c1cccc(NC(=O)NNC(=O)CCO)n1 1116611038 QMQCHRRWNNKWHK-UHFFFAOYSA-N 267.289 -0.317 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCCC#N 1116828939 CQBZXCKLEPBWDB-MRVPVSSYSA-N 258.278 -0.718 50 20 CBGD CSCC[C@H](NC(N)=O)C(=O)NNC(=O)C1CCC1 1118822368 HHXOFPOQOPVCTL-QMMMGPOBSA-N 288.373 -0.276 50 20 CBGD CC[S@](=O)CCNC(=O)NNC(=O)c1cn[nH]c1 1118860283 LMKZDJIMWAIUPP-SFHVURJKSA-N 273.318 -0.878 50 20 CBGD CCCn1cc(C(=O)NNC(=O)CS(C)(=O)=O)cn1 1118895137 IFKZFMBFLBTAHK-UHFFFAOYSA-N 288.329 -0.901 50 20 CBGD Cc1c(CCC(=O)NNC(=O)N(C)C)cnn1C 1319617805 LQQFTZZQKLDGKJ-UHFFFAOYSA-N 253.306 -0.036 50 20 CBGD COC(=O)NNC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 1320262721 YGTFHMDZLZCXPP-ZETCQYMHSA-N 294.329 -0.644 50 20 CBGD C#CCCCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1320757460 DVBWUSTWSPZREN-SECBINFHSA-N 287.341 -0.693 50 20 CBGD O=C(CN1CC[C@](O)(C2CC2)C1)NNC(=O)C1CC1 1321056953 CDIXPSHGNPWONS-CYBMUJFWSA-N 267.329 -0.609 50 20 CBGD O=C(CSc1n[nH]c(O)n1)NNc1ncccn1 1324193333 VSYNCLRDJGAUNB-UHFFFAOYSA-N 267.274 -0.464 50 20 CBGD CN(C)Cc1cc(C(=O)NNC(=O)N2CCOCC2)no1 1325132928 JZWMBRVKMCQXAQ-UHFFFAOYSA-N 297.315 -0.577 50 20 CBGD CCNC(=O)N(C)NC(=O)c1csc(CN)n1 1326063310 NSCAONRXEQGKHF-UHFFFAOYSA-N 257.319 -0.092 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C1CCN(C(C)C)CC1 1326413215 PYOVKQAHGNPNIW-UHFFFAOYSA-N 298.387 -0.221 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cccc2c1CCO2 1326898696 GEWXLZRNUJLSTF-UHFFFAOYSA-N 263.253 -0.273 50 20 CBGD COC[C@@H](CNC(=O)NNC(=O)C1CCOCC1)OC 1330832703 RYTGLEPIFGGWGB-SNVBAGLBSA-N 289.332 -0.595 50 20 CBGD CNC(=O)NNC(=O)c1ccc(C(=O)OC)nc1 1337770389 AEDGNLYIHZPPQI-UHFFFAOYSA-N 252.230 -0.558 50 20 CBGD Cc1onc(N)c1S(=O)(=O)NNC(=O)c1cccn1C 1339794431 SIZJESIUHIXCJP-UHFFFAOYSA-N 299.312 -0.473 50 20 CBGD O=C(CCc1cccc(O)c1)NNC(=O)[C@@H]1COCCO1 1548660951 GHMSDDCOIMHZIJ-LBPRGKRZSA-N 294.307 -0.112 50 20 CBGD C[C@@]1(C(=O)NNC(=O)C2CCC2)C[C@@H](N)CCO1 1576350183 MCBCVUXQZSOLBK-CABZTGNLSA-N 255.318 -0.170 50 20 CBGD N#C[C@H]1CNCC12CC(C(=O)NNC(=O)C1CC1)C2 1580043626 OMUFWCJMAIDUQZ-QUNCOHTASA-N 262.313 -0.317 50 20 CBGD N#Cc1ccc(NNC(=O)NC[C@@H]2CNCCCO2)nc1 1580070448 XGSSRGJAXBFYPZ-NSHDSACASA-N 290.327 -0.042 50 20 CBGD O=C(Cc1ccc(O)c(O)c1)NNC(=O)[C@H]1CCN1 1580569789 FUZLHJIYGGXYPY-MRVPVSSYSA-N 265.269 -0.850 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H](C(=O)O)C1CC1 1588465378 GUWLGJUUMPEGEX-ZETCQYMHSA-N 257.315 -0.222 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCC(=O)O 1589425098 WKIMRRUKVXXBJT-ZCFIWIBFSA-N 260.246 -0.660 50 20 CBGD CC1(C)CO[C@@H](CNC(=O)NNC(=O)C(=O)O)C1 1593959144 MLXQQOUQCUVXGR-ZCFIWIBFSA-N 259.262 -0.784 50 20 CBGD C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)NNC(=O)C(=O)O 1594278810 WMPBPWQXLGWWTC-NGJRWZKOSA-N 255.274 -0.307 50 20 CBGD O=C(CC1CC1)NNC(=O)[C@H]1CC(C(=O)O)=NO1 1594678466 RMVKBXOKGBESHT-SSDOTTSWSA-N 255.230 -0.837 50 20 CBGD O=C(O)CCNC(=O)NNc1ccc(-n2ccnc2)nn1 1595059155 BVVNRDRJFQZGJW-UHFFFAOYSA-N 291.271 -0.237 50 20 CBGD CCOC(=O)/C(C#N)=C/NCCn1cc(C(=O)O)nn1 1596509097 ARRXLXULTKYBOG-SOFGYWHQSA-N 279.256 -0.464 50 20 CBGD CS(=O)(=O)[C@@H]1CCCC1=NNC(=O)NCC(=O)O 1599744903 GXLJIBSVTYMSSJ-SSDOTTSWSA-N 277.302 -0.677 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)N1CCOCC1 266983716 OPOVQEJZXCPYSW-UHFFFAOYSA-N 264.285 -0.303 50 20 CBGD O=C(Cc1ccco1)NNC(=O)N1CCOCC1 268785730 CLLIVMRNBQEFFY-UHFFFAOYSA-N 253.258 -0.105 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccccc1OCC(N)=O 272670004 KKOPMMYHNKOJCU-UHFFFAOYSA-N 294.311 -0.143 50 20 CBGD Cc1cccnc1NNC(=O)[C@H](C)NS(C)(=O)=O 276709231 JWZWZFMEVVOASK-QMMMGPOBSA-N 272.330 -0.229 50 20 CBGD COC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ncnc2nc[nH]c12 288218390 ZLYUHMFOCNSZOP-RNFRBKRXSA-N 290.283 -0.005 50 20 CBGD COC(=O)[C@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCCO1 293503048 ZIMVWSMYDWCUFF-GJMOJQLCSA-N 256.258 -0.878 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CSCC1=O 298811001 PIRDHIYOKZQJJB-UHFFFAOYSA-N 259.331 -0.287 50 20 CBGD CC(C)CN1N=C(C(=O)NNC(=O)CN(C)C)CCC1=O 363826042 QCLCSCXAODWXML-UHFFFAOYSA-N 297.359 -0.670 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1C[C@H]2CC[C@@H]1O2 584912615 SPRHLTPPJHEYGB-UTUOFQBUSA-N 261.086 -0.128 50 20 CBGD CC(C)N1CC[C@@H](NC(=O)c2cccc(B(O)O)c2)C1=O 584947125 GXGMDRMQAJLRSH-GFCCVEGCSA-N 290.128 -0.895 50 20 CBGD CCCN(CC)CCNC(=O)c1ccc(B(O)O)cc1 584955743 UJNGFULWPMNBNS-UHFFFAOYSA-N 278.161 -0.172 50 20 CBGD CCN1CCC[C@H](CNC(=O)c2ccc(B(O)O)cc2)C1 584968896 PCUXRODXHCESOF-GFCCVEGCSA-N 290.172 -0.172 50 20 CBGD C[C@H]1[C@@H](C)N(C(=O)c2ccc(B(O)O)cc2)CCN1C 584970954 WCOFCADNIQMUAF-WDEREUQCSA-N 276.145 -0.469 50 20 CBGD O=C(NCC1(CO)CCCC1)c1ccc(B(O)O)c(F)c1 584974787 AJLAVLQLPUHXLZ-UHFFFAOYSA-N 295.119 -0.212 50 20 CBGD C[C@H](Cn1ccnc1)NCc1ccc(B(O)O)cc1 585017678 HRUGTCVWYBMXRZ-LLVKDONJSA-N 259.118 -0.259 50 20 CBGD OC[C@H](CNCc1ccc(B(O)O)o1)Cc1ccccc1 585018907 WKODQHWPXLGWEU-ZDUSSCGKSA-N 289.140 -0.100 50 20 CBGD CC1(C)NC(=O)CC[C@H]1NCc1ccc(B(O)O)o1 585043092 XEUDZFNVZDKTKR-SECBINFHSA-N 266.106 -0.894 50 20 CBGD O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCB(O)O 585056729 VWCAELIYCREFCB-UHFFFAOYSA-N 291.521 -0.758 50 20 CBGD CC(C)(O)C(=O)OCC(=O)NNC(=O)c1ccccc1 725932323 GCAIBSOLBCZTDZ-UHFFFAOYSA-N 280.280 -0.238 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)Cc1cnn(C)c1 740849914 PRTWLUWPSJBFKD-UHFFFAOYSA-N 295.343 -0.585 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C2=NNC(=O)C2)o1 752824323 NPEDMIYXMHKTAB-UHFFFAOYSA-N 250.214 -0.775 50 20 CBGD CCOCC(=O)NNC(=O)Nc1nnc2ccccn12 756434757 YYEWFXHVGMXIMT-UHFFFAOYSA-N 278.272 -0.082 50 20 CBGD Cc1ccc(NNC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)nn1 759772809 BBRJRKIPFLPXSJ-IUCAKERBSA-N 294.315 -0.556 50 20 CBGD O=C(NNC(=O)[C@H]1CCSC1)C(=O)NC1CC1 761836804 RTTBMJXWBUPHME-LURJTMIESA-N 257.315 -0.835 50 20 CBGD CCc1ccccc1NC(=O)C(=O)NNC(=O)COC 764304257 XGEMYOMLCMUKCJ-UHFFFAOYSA-N 279.296 -0.019 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H](O)CCc1ccccc1 768245982 GTMLKJWUMKHYTB-NSHDSACASA-N 280.324 -0.102 50 20 CBGD CO[C@H](C(=O)NNc1nnc(C)c(O)n1)C(C)C 771725749 ZNRPLEBGJMDAAU-ZETCQYMHSA-N 255.278 0.000 50 20 CBGD CN1CCN(CC(=O)NNc2ncccc2Cl)CC1=O 781932746 WXTNVWBDCVFVGX-UHFFFAOYSA-N 297.746 -0.048 50 20 CBGD COCCN(C)c1ccc(C=NNC(=O)CO)cn1 790170810 QYSWFSPHUZDGFW-UHFFFAOYSA-N 266.301 -0.393 50 20 CBGD O=C(NNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1cccnc1 794604190 FJFGZCXDBFZIKY-UHFFFAOYSA-N 276.212 -0.212 50 20 CBGD Cn1nncc1C(=O)NNC(=O)CCc1ccccc1O 799101212 VEVUIQFDEGASKJ-UHFFFAOYSA-N 289.295 -0.086 50 20 CBGD C=CCN1CC[C@H](N(C)[C@@H](C)C(=O)NNC(=O)CC)C1=O 799177152 IPDNJFIFKKXLNW-QWRGUYRKSA-N 296.371 -0.349 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H](O)c2ccccc2)CC1 808034535 WFMDRERLDPRNEO-LBPRGKRZSA-N 292.339 -0.292 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cc2n(n1)CCO2 810854185 NMLLMBOYEYXWDA-UHFFFAOYSA-N 253.262 -0.418 50 20 CBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)CCC(C)(C)C 811681031 ZXKAKUUUDKWYDL-UHFFFAOYSA-N 293.389 -0.102 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@H]1CCc2nncn2C1 814255352 JLYRWQDAVBKENA-VIFPVBQESA-N 288.311 -0.360 50 20 CBGD CNC(=O)NNC(=O)c1ccc(C(=O)OC)n1C 815100571 HEGXMCWADTXIHI-UHFFFAOYSA-N 254.246 -0.615 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H]1CC(=O)N(C)C1 818387451 URNSFCQFAVKRPK-SECBINFHSA-N 251.286 -0.584 50 20 CBGD CN(NC(=O)[C@](C)(O)Cn1ccccc1=O)C1CC1 819651528 OARQJMGQNGDKJH-CYBMUJFWSA-N 265.313 -0.275 50 20 CBGD CCN(CCO)NC(=O)c1cnc2c(cnn2C)c1 823865087 ILVMVVDCRAQUIJ-UHFFFAOYSA-N 263.301 -0.073 50 20 CBGD C[C@@H](CO)N(C)NC(=O)COCc1ccccn1 823923299 QYXXCQDKRUNCAV-JTQLQIEISA-N 253.302 -0.058 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CS(=O)(=O)C(C)(C)C 823939631 MZANXVRXNMDIJS-QMMMGPOBSA-N 266.363 -0.457 50 20 CBGD C[C@H](NC(=O)c1ccoc1)C(=O)NN(C)[C@@H](C)CO 823971137 PHWXUBGOPMALFT-IUCAKERBSA-N 269.301 -0.258 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1COCCO1 826446434 LPGYROAOWYCNKM-SNVBAGLBSA-N 290.283 -0.275 50 20 CBGD CC(C)C[C@@H]1C(=O)NCCN1CC(=O)NNC(=O)C(C)C 829107237 OAVJPXJAPVGLRT-LLVKDONJSA-N 298.387 -0.364 50 20 CBGD CC(=O)OC(C)(C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843970790 LGQCGCCPAGDVEO-IONNQARKSA-N 272.301 -0.100 50 20 CBGD O=C(NNS(=O)(=O)N1CCCOCC1)c1ccccc1 844644124 KYFGMXHGTSFKHE-UHFFFAOYSA-N 299.352 -0.112 50 20 CBGD COCCN(C)NC(=O)CNC(=O)c1ccc(O)cc1 848377327 IMTLKWITVSDSHX-UHFFFAOYSA-N 281.312 -0.269 50 20 CBGD O=C(NNc1ccc(-n2cccn2)nn1)N[C@H]1CCNC1 851672355 FMOBNKQQFZAUHE-VIFPVBQESA-N 288.315 -0.350 50 20 CBGD COCCCNC(=S)N(C)NC(=O)c1cc[nH]n1 854280093 OQNZLNNMIIQREM-UHFFFAOYSA-N 271.346 -0.103 50 20 CBGD CN1CCN(C(=O)NNC(=O)/C=C\c2cnn(C)c2)CC1 854378981 KFFKTSDSXRVFDC-ARJAWSKDSA-N 292.343 -0.579 50 20 CBGD O=C(C[C@H]1CCC(=O)N1)NNC(=S)NCC1CCC1 855091086 APSHVXLZGSOCHL-SECBINFHSA-N 284.385 -0.050 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cccnn2)n1 858148964 SBLCFUOHYHRPPJ-UHFFFAOYSA-N 274.284 -0.249 50 20 CBGD C[C@@]1(C#N)CCCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858699356 ORZUMFIACXWCSK-ZANVPECISA-N 293.327 -0.369 50 20 CBGD COC(=O)c1cn(CC(=O)NN[C@H](C)C(F)(F)F)nn1 862310581 BTQQMQHBXLVLLD-RXMQYKEDSA-N 295.221 -0.364 50 20 CBGD C/C(=C/C(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CC1 862451396 BVKFYNOPPVGTSB-ATJFRQLMSA-N 251.286 -0.231 50 20 CBGD CC1=C(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C(=O)OC1(C)C 862453331 LEBVXOPPVBWCLU-SSDOTTSWSA-N 295.295 -0.936 50 20 CBGD CSC[C@@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862455935 SOQXDTUYTMAQPU-RQJHMYQMSA-N 259.331 -0.589 50 20 CBGD CCO/C=C(\C#N)C(=O)NC[C@@H](O)CC(=O)OC 863018457 ZOFNLZOFZJRASK-FLOXNTQESA-N 256.258 -0.529 50 20 CBGD COc1ncc(C=NNC(=O)[C@H]2CCC(=O)N2)s1 863149601 CYHUVRNJLXRLSK-SSDOTTSWSA-N 268.298 -0.120 50 20 CBGD Cc1cc(F)ccc1C(=O)NNC(=O)CS(C)(=O)=O 863464834 UMJWCMXUMFXQEF-UHFFFAOYSA-N 288.300 -0.060 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H](C)OCC(C)C 869909122 JUCQEWBECFAEDE-JTQLQIEISA-N 276.333 -0.142 50 20 CBGD CCO[C@H](CC)C(=O)NNC(=O)CN1CCCC1=O 913730293 PNZXFROXIITYNW-SECBINFHSA-N 271.317 -0.429 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1CCSC1 913731654 QMLLSMRQXIJXMH-QMMMGPOBSA-N 271.342 -0.491 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CCC=CO1 913732329 QUSVXLLGTUXCNE-VIFPVBQESA-N 267.285 -0.551 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)c1ccc(-n2cnnn2)cc1 920427792 MTGDRKXDYYTCQQ-UHFFFAOYSA-N 298.266 -0.540 50 20 CBGD C[C@](O)(C(=O)NNC(=O)C1CCOCC1)C1CC1 923064497 WVTSOJPPGYGIPD-GFCCVEGCSA-N 256.302 -0.279 50 20 CBGD Cc1ncc(C(=O)NNC(=O)C(=O)N2CCCC2)c(C)n1 1116485223 SHUKCXHJJMFUFC-UHFFFAOYSA-N 291.311 -0.523 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCc1ccnn1C 1325977598 ZCNQZWIUJMIWAQ-ONGXEEELSA-N 295.343 -0.282 50 20 CBGD CC(C)(C#N)CCS(=O)(=O)NNC(=O)c1cnccn1 1328626641 AYGWTKZXCRXMRL-UHFFFAOYSA-N 297.340 -0.019 50 20 CBGD C[C@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 1329172070 CHEMMLWDJQJGTR-KXUCPTDWSA-N 298.343 -0.590 50 20 CBGD CCNC(=O)NNC(=O)[C@H](CCSC)NC(N)=O 1329208945 RNBSMPATISIJRH-LURJTMIESA-N 277.350 -0.873 50 20 CBGD COCCn1cc(C(=O)NNc2nccnc2OC)nn1 1331428760 CLROGLVMLBGFCA-UHFFFAOYSA-N 293.287 -0.520 50 20 CBGD CC1(C)C[C@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 1337360687 JNCPLPYSEIYWDX-BDAKNGLRSA-N 283.328 -0.382 50 20 CBGD C[C@@H](C(=O)NNC(=O)NCC1CC1)N1C(=O)CCC1=O 1338428785 JFMVRYSGUOLHKW-ZETCQYMHSA-N 282.300 -0.736 50 20 CBGD NC(=O)N[C@@H](CO)C(=O)NNc1cc(Cl)ccn1 1341910271 RAUUIFKOXPPVBT-LURJTMIESA-N 273.680 -0.793 50 20 CBGD CC1(C)CC[C@H](CO)N(C(=O)c2ccc(B(O)O)cc2)C1 1347320650 QWMKEPNZMAJGHL-CYBMUJFWSA-N 291.156 -0.011 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cnn(C)c1)[C@@H]1CCC(=O)N1 1351441338 GWQATDDGSDHXAW-APPZFPTMSA-N 279.300 -0.904 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)c2ccc(C)c(O)c2)C1 1353011510 UMYYNLXYQNJVQO-UHFFFAOYSA-N 291.307 -0.060 50 20 CBGD COc1cccc(C(=O)NNC(=O)[C@@H](OC)C(=O)O)c1O 1574233486 PEHOYHVJMJTFSI-SECBINFHSA-N 298.251 -0.739 50 20 CBGD N[C@H](CO)C(=O)NNC(=O)CCCc1ccccc1 1574263757 GOISIGBEYLIXLC-LLVKDONJSA-N 265.313 -0.524 50 20 CBGD C[C@H]1CCN[C@H](C(=O)NNC(=O)c2cnsn2)C1 1576745276 QHPWCUOQYXLAQW-BQBZGAKWSA-N 269.330 -0.313 50 20 CBGD COC(=O)NNC(=O)c1coc(-c2nn[nH]n2)c1 1579466212 HVTFTALORCUMOF-UHFFFAOYSA-N 252.190 -0.540 50 20 CBGD Cn1ncc(C(=O)NNC(=O)C2CCNCC2)c1Cl 1579998851 XSDJNDIEEVAJRH-UHFFFAOYSA-N 285.735 -0.166 50 20 CBGD CC(C)N1CCC[C@@H](CNC(=O)NNC(=O)C(=O)O)C1 1591623871 FOPPILARTLNBRE-VIFPVBQESA-N 286.332 -0.478 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)C1(C(=O)O)CC1 1594736156 NBEZKYHNJWYCQY-UHFFFAOYSA-N 269.179 -0.256 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1cc(C(=O)O)co1 1602987855 ZYTSFAPMLAZFJM-UHFFFAOYSA-N 288.281 -0.137 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@@]1(C(=O)O)CCOC1 1603835467 VNOMMNYGZBKGBA-JYKYSHPRSA-N 254.242 -0.210 50 20 CBGD CCOCC(=O)NNC(=O)Nc1cccc(C(=O)O)n1 1605618258 GZWPABMBBGLKNL-UHFFFAOYSA-N 282.256 -0.031 50 20 CBGD CNC(=O)NCC(=O)NNc1cccc(C(=O)O)c1 1610141289 ZACASLWJHCHDME-UHFFFAOYSA-N 266.257 -0.243 50 20 CBGD O=C(NCCN1CCOCC1)NNc1ncccn1 42950824 GPLSCSWZBUOWGU-UHFFFAOYSA-N 266.305 -0.565 50 20 CBGD CN(C)CC(=O)NNC(=O)CCNC(=O)c1ccco1 113426287 YEEMQDQCYYJUBW-UHFFFAOYSA-N 282.300 -0.892 50 20 CBGD CN1C[C@H](C(=O)NNC(=O)c2ccc(Cl)nc2)CC1=O 131610127 XWTJXRDOSFJDFF-MRVPVSSYSA-N 296.714 -0.026 50 20 CBGD C[C@H](O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 270721765 ADQFTNFLMRIBSE-XVKPBYJWSA-N 266.253 -0.645 50 20 CBGD CNC(=O)NCC(=O)NNc1nnc(C2CC2)s1 273561754 FQAPUVPIGYMHQY-UHFFFAOYSA-N 270.318 -0.212 50 20 CBGD CC(=O)NNC(=O)C(=O)N1C[C@H](C)Oc2ccccc21 274027433 GKPMNSBEVJRSRF-QMMMGPOBSA-N 277.280 -0.032 50 20 CBGD COc1ncccc1C(=O)NNC(=O)C(C)(C)O 276183996 CYLHOSTXFRBISU-UHFFFAOYSA-N 253.258 -0.378 50 20 CBGD COc1nccc(NC(=O)NNC(=O)CN(C)C)n1 282701913 QDZDKBHSCZMAEA-UHFFFAOYSA-N 268.277 -0.801 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]32)n1 289472814 HOGJYPKBNFJORY-IQJOONFLSA-N 294.311 -0.020 50 20 CBGD CCn1ccnc1C(=O)NNC(=O)c1cnn(C)c1 291955723 OMRGEPYFAVKFTB-UHFFFAOYSA-N 262.273 -0.289 50 20 CBGD Cn1cnn(CCC(=O)NNC(=O)NC2CCCC2)c1=O 293233201 KVGABRWJZFQQCU-UHFFFAOYSA-N 296.331 -0.755 50 20 CBGD CCS(=O)(=O)NCCNC(=O)NNc1ncccn1 298647560 BQVOVBDQVZGCCG-UHFFFAOYSA-N 288.333 -0.958 50 20 CBGD C[C@@H]1C[C@@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1 299542119 VUQWDDIDZYUTCR-RKDXNWHRSA-N 268.317 -0.405 50 20 CBGD CC[C@H](C(=O)Nc1cccc(B(O)O)c1)N1CCCC1=O 584912096 LENFHLVITVSLMG-GFCCVEGCSA-N 290.128 -0.294 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)[C@@H](C)CO1 584927129 CUEXCZCCXDUUBG-IUCAKERBSA-N 281.092 -0.245 50 20 CBGD C[C@H]1CN(C)CC[C@@H]1NC(=O)c1ccc(B(O)O)cc1 584937138 LTZXJBWKHAMOFI-GWCFXTLKSA-N 276.145 -0.564 50 20 CBGD COC[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@@H](C)O1 584979241 OIAIFAAIBITXOL-MFKMUULPSA-N 293.128 -0.758 50 20 CBGD CC(C)N(CCOCCO)C(=O)c1cccc(B(O)O)c1 584986774 AVXLXGGRVXTXMT-UHFFFAOYSA-N 295.144 -0.774 50 20 CBGD O=C(NC[C@@H]1CC1(F)F)c1ccc(B(O)O)cc1 584998895 BWOVUGDOXSQBIA-QMMMGPOBSA-N 255.029 -0.249 50 20 CBGD CCCN1CC[C@@H](NC(=O)c2cc(B(O)O)ccc2F)C1 585005657 KJIKPWNWQUUYIB-LLVKDONJSA-N 294.135 -0.280 50 20 CBGD CN1CC[C@@H](N(C)C(=O)c2cccc(B(O)O)c2)C1 585008621 KIVLLHBVKTTWBH-GFCCVEGCSA-N 262.118 -0.858 50 20 CBGD CC(C)N1C[C@H](NCc2cccc(B(O)O)c2)CC1=O 585028351 JRZJPRGIQOLNBG-CYBMUJFWSA-N 276.145 -0.535 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCc3n[nH]cc3C2)c(F)c1 585029880 KZEPYFDYFBTLPU-LBPRGKRZSA-N 289.119 -0.124 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCN(c3ccccn3)C2)o1 585031541 HAEMBABCKOKMLO-NSHDSACASA-N 287.128 -0.277 50 20 CBGD O=C1CC[C@@H](CCNCc2ccc(B(O)O)cc2F)N1 585041132 UTVMTUOLOXFFJR-NSHDSACASA-N 280.108 -0.736 50 20 CBGD Cc1nnc(CCNCc2ccc(B(O)O)cc2F)s1 585042090 ZKPHLSCJLKZGDA-UHFFFAOYSA-N 295.148 -0.002 50 20 CBGD Cn1ccc(C(=O)NNC(=O)N2CCOCC2)n1 727376899 AMRJVBBGBGFDAG-UHFFFAOYSA-N 253.262 -0.893 50 20 CBGD CC[C@@H](OC)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 728160868 AOMDZKBRZMDODG-VHSXEESVSA-N 278.374 -0.096 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cccc(C#N)c1)S(C)(=O)=O 728825232 OTSIJVKYSCCUCD-QMMMGPOBSA-N 295.320 -0.248 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCNC(=O)C1(C)C 744394740 JHELMVBWYAYENN-UHFFFAOYSA-N 284.360 -0.610 50 20 CBGD COc1ccc(C(=O)NNC(=O)Cc2ccncc2)nn1 747323613 BNOFKZNTNCDGLT-UHFFFAOYSA-N 287.279 -0.116 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@]2(C)CCOC2)cn1 754295232 ZBPODUFWPDNVOI-NSHDSACASA-N 252.274 -0.392 50 20 CBGD C#CCOCCC(=O)NNC(=O)C(=O)NC(CC)CC 755919393 HXKVAWUJRJDZRK-UHFFFAOYSA-N 283.328 -0.522 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)c2cccnc2)C1=O 771845382 JCDYGUKMSMJVQW-VIFPVBQESA-N 262.269 -0.679 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] 775247872 FLXNQWSJYPYFNX-UHFFFAOYSA-N 284.253 -0.204 50 20 CBGD CCCNC(=O)NNC(=O)CNC(=O)c1cccc(O)c1 778599281 UBXLYYFRICBQMO-UHFFFAOYSA-N 294.311 -0.138 50 20 CBGD CC(C)C(=O)NNC(=O)Nc1cccc(C(N)=O)n1 782590358 MKEURVLXTMCIPG-UHFFFAOYSA-N 265.273 -0.011 50 20 CBGD Cn1cc(C(=O)NNC(=O)COCc2cccnc2)cn1 805184428 MXECREFNMYHNOK-UHFFFAOYSA-N 289.295 -0.207 50 20 CBGD COC(=O)COCC(=O)NN=c1cc[nH]cc1Cl 807046501 ZVJSJAPQGSHCTK-UHFFFAOYSA-N 273.676 -0.210 50 20 CBGD CC#CCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 823937296 QJNKGTHHEQZGIC-UHFFFAOYSA-N 299.294 -0.166 50 20 CBGD C[C@H](CO)N(C)NC(=O)CCCNC(=O)C1CC1 823970017 BBUFCSXXOQAVGN-SECBINFHSA-N 257.334 -0.363 50 20 CBGD CCC[C@@H](C(=O)NNc1cccnn1)S(N)(=O)=O 832039952 VSHBFSVGOGXJFJ-ZETCQYMHSA-N 273.318 -0.623 50 20 CBGD CC[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)N(C)C 843980104 RILPCVHFRWVXHX-OPRDCNLKSA-N 257.334 -0.101 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCCC(=O)N(C)C 843980270 SDIQKUCVIMHSDU-UWVGGRQHSA-N 285.344 -0.183 50 20 CBGD CC(C)[C@@H](CNC(=O)NNC(=O)[C@H]1CCCO1)C(=O)O 848589609 DVCCNTVWKAURDT-RKDXNWHRSA-N 287.316 -0.147 50 20 CBGD C[C@H]1CCCN1S(=O)(=O)NNC(=O)c1cc[nH]n1 849310796 PLNWGTKRVSGFEW-ZETCQYMHSA-N 273.318 -0.627 50 20 CBGD C#CCOCCNC(=O)NNC(=O)c1cccc(F)n1 852251099 JSVWARLKCPKJRV-UHFFFAOYSA-N 280.259 -0.186 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@H]1CCC(=O)N1)C1CC1 855100785 JAPGWKIYDLXPKZ-POYBYMJQSA-N 270.358 -0.441 50 20 CBGD C[C@H](OCC1CC1)C(=O)NNC(=O)c1cc[nH]n1 855359161 HPKQBGOGOAZXOA-ZETCQYMHSA-N 252.274 -0.014 50 20 CBGD CN1CCN(CC(=O)NNc2ncc(Cl)cn2)CC1=O 857357331 ORCVGKQWGWSEQY-UHFFFAOYSA-N 298.734 -0.653 50 20 CBGD COC[C@]1(C)CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858699958 BCIAYAZAYWLTRE-NOZJJQNGSA-N 298.343 -0.636 50 20 CBGD CCOC[C@@H]1CN(CC(=O)NNC(=O)C(C)C)CCO1 859772877 VAJKCGDROAJHRR-NSHDSACASA-N 287.360 -0.473 50 20 CBGD CC#CCCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862460173 DEAAJYIGGOMSKO-VIFPVBQESA-N 251.286 -0.394 50 20 CBGD CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)C(=O)NC1CC1 862994003 RUSJSPXRCWZTJM-SECBINFHSA-N 282.344 -0.715 50 20 CBGD CCO[C@@H]1CC(=NNC(=O)[C@@H]2CCC(=O)N2)[C@H]1OC 863151735 SGPQLNLRPZTDTM-JVUFJMBOSA-N 269.301 -0.439 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21 905099744 DUQPRGXZJUGEPD-FTLITQJKSA-N 253.327 -0.107 50 20 CBGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(N)=O)c1 917360079 UKKRPGOJCMLFAR-UHFFFAOYSA-N 265.269 -0.685 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 929448758 OHSZCNZYHGZUGS-REGJCICNSA-N 279.340 -0.050 50 20 CBGD CS(=O)(=O)NNC(=O)c1n[nH]c2c1CCCC2 1115824919 KVHVGGONTHTAPN-UHFFFAOYSA-N 258.303 -0.518 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCc1ncc[nH]1 1117417827 ZYNKWLDHMIPRLF-UHFFFAOYSA-N 262.273 -0.165 50 20 CBGD CCCN1CCC(NC(=O)NNC(=O)C(=O)OC)CC1 1319004100 QOYUUXDVJYCARV-UHFFFAOYSA-N 286.332 -0.636 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1ccnn1CC1CC1 1320347126 MIPMCJDSKZQJOE-UHFFFAOYSA-N 279.300 -0.211 50 20 CBGD NC(=O)c1cc(NC(=O)NNC(=O)CCO)ccc1F 1320400789 MJGMFULSEFVECZ-UHFFFAOYSA-N 284.247 -0.540 50 20 CBGD NC(=O)c1ccc(C(=O)NNc2nc3ccccn3n2)nc1 1320844997 MFWDLPKGAAERQI-UHFFFAOYSA-N 297.278 -0.020 50 20 CBGD Cn1ccc(S(=O)(=O)NNC(=O)Cc2cccnc2)n1 1322470285 YMRUQKBHOYTWGA-UHFFFAOYSA-N 295.324 -0.633 50 20 CBGD COc1ccc(C(=O)NNC(=O)C2(C(N)=O)CC2)cc1 1322695544 TXFCCFMQTJCNAD-UHFFFAOYSA-N 277.280 -0.278 50 20 CBGD COCCC1(CNC(=O)NNC(=O)C(=O)OC)CC1 1322701726 YZDVYTVYBUBKBA-UHFFFAOYSA-N 273.289 -0.694 50 20 CBGD CN1CCC(NC(=O)NNC(=O)c2cnn(C)c2)CC1 1328685132 GUJFCVBNVHRVKS-UHFFFAOYSA-N 280.332 -0.542 50 20 CBGD CN(C)CCn1cc(C(=O)N2CC[C@H](B(O)O)C2)cn1 1329214859 LFBKTLBATSDZFB-NSHDSACASA-N 280.137 -0.866 50 20 CBGD Cc1ncnc(O)c1CCC(=O)NNC(=O)c1cc[nH]n1 1329587925 NVZJHDZWGDMSRG-UHFFFAOYSA-N 290.283 -0.392 50 20 CBGD Cc1ccc(NNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)nn1 1332093714 LJWVYGQJELHAPN-IUCAKERBSA-N 294.315 -0.133 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CCn2cncc2C1 1332146296 HJMAPCPBXNHWIE-SNVBAGLBSA-N 296.327 -0.744 50 20 CBGD CN1C(=O)CN(NS(=O)(=O)CCCCl)C1=O 1336924297 UCLGBWPKKKXUQD-UHFFFAOYSA-N 269.710 -0.656 50 20 CBGD COC1(CNC(=O)NNC(=O)c2cn[nH]c2)CCOCC1 1348110743 MWFHEJHKIVTMCI-UHFFFAOYSA-N 297.315 -0.451 50 20 CBGD CC(C)(C#N)CC(=O)NNC(=O)[C@H]1CCC(=O)N1 1348386470 GYUVPVNRIWSAPS-SSDOTTSWSA-N 252.274 -0.648 50 20 CBGD COc1cccc(NNC(=O)[C@@]2(C)C[C@@H](O)CN2)n1 1574041320 GEEOFSWBBTZPIX-PRHODGIISA-N 266.301 -0.354 50 20 CBGD O=C(NNC(=O)[C@]1(F)CCNC1)[C@@H]1C[C@H]2CC[C@H]1O2 1574334683 UGFSGCSAFRNXFR-HNBLOZHYSA-N 271.292 -0.597 50 20 CBGD CC#CC[C@@H](N)C(=O)NNc1cc(Cl)nc(N)n1 1574973919 ZQURMBTZDBROOH-ZCFIWIBFSA-N 268.708 -0.104 50 20 CBGD CC(C)C(=O)NNC(=O)C1CC2(CNC[C@H]2C#N)C1 1575397621 CFTZCJRHBOCQKU-RUETXSTFSA-N 264.329 -0.071 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H](N)C(C)(C)C 1579056003 KSFGFGBACZKCMP-SECBINFHSA-N 261.322 -0.830 50 20 CBGD Cn1cc(C(=O)NNC(=O)C2(C3CCNCC3)CC2)nn1 1579953193 NJJNIGQRGAYOET-UHFFFAOYSA-N 292.343 -0.644 50 20 CBGD CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)c1ccc(=O)n(C)c1 1588807984 HWIAMBMOVTVLLY-SNVBAGLBSA-N 295.295 -0.497 50 20 CBGD O=C(NCC1CC1)NNC(=O)c1cc(C(=O)O)n[nH]1 1605765054 RAWDUHKPVWZOBD-UHFFFAOYSA-N 267.245 -0.538 50 20 CBGD Cn1nncc1NNC(=O)c1cc(-c2nn[nH]n2)cs1 1606286008 FKHUASTXZRTZLP-UHFFFAOYSA-N 291.300 -0.186 50 20 CBGD COC(=O)[C@H]1CC[C@@H](C(=O)O)CN1S(=O)(=O)CCl 1606388129 LWLFUCZBCYBEQC-RNFRBKRXSA-N 299.732 -0.149 50 20 CBGD NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796362829 MJTZACTVSRDWJH-MBLNEYKQSA-N 293.726 -0.931 50 20 CBGD CC(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1842765338 AEEIIDKEUZQRQO-UHFFFAOYSA-N 296.371 -0.417 50 20 CBGD CCOC(=O)/C(C#N)=C/NNC(=O)c1cc(C)n[nH]1 130257495 BGTYDFIIYDTIMW-SOFGYWHQSA-N 263.257 -0.077 50 20 CBGD C[C@H]1OCCN(CC(=O)NNC(=O)C2CC2)[C@@H]1C 139206249 PKDFVOQSEGQBFJ-RKDXNWHRSA-N 255.318 -0.347 50 20 CBGD CC(=O)NNC(=O)[C@@H]1COCCN1C1CCCC1 188405999 MUZCHRRUYDESAX-NSHDSACASA-N 255.318 -0.203 50 20 CBGD CN(C)C(=O)NNC(=O)Cn1c(=O)n(C)c2ccccc21 299368694 KFMUQWOFWXPMAU-UHFFFAOYSA-N 291.311 -0.358 50 20 CBGD C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NN)C2=O 361761985 GOMMEIITMDZBOX-WRWORJQWSA-N 254.290 -0.523 50 20 CBGD C[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1cccc(B(O)O)c1 405002901 OOKRVPIOMVSQCV-SKDRFNHKSA-N 290.128 -0.533 50 20 CBGD CN(NC(=O)CCNS(C)(=O)=O)C(=O)OC(C)(C)C 497015982 LADBCOVWTFOTMF-UHFFFAOYSA-N 295.361 -0.176 50 20 CBGD O=C(CNC(=O)C1CCCC1)Nc1cccc(B(O)O)c1 584911722 XTBXPDVPVQKGRI-UHFFFAOYSA-N 290.128 -0.389 50 20 CBGD CN(C)C(C)(C)CNC(=O)c1cc(B(O)O)ccc1F 584923779 CHROTAORNKANHE-UHFFFAOYSA-N 282.124 -0.425 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@@H](O)C1 584930698 AVNQQEGTMSPPBW-SECBINFHSA-N 267.065 -0.898 50 20 CBGD C[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1CO 584970782 UAXRFSKSEZOWNR-ZWNOBZJWSA-N 277.129 -0.401 50 20 CBGD CCCCCN(CC(N)=O)C(=O)c1ccc(B(O)O)cc1 584971477 AJTIDXGUEYDCRX-UHFFFAOYSA-N 292.144 -0.516 50 20 CBGD COC[C@@H]1CCN1C(=O)c1ccc(B(O)O)c(F)c1 584993548 WUAKZKJXILGDKX-VIFPVBQESA-N 267.065 -0.634 50 20 CBGD C[C@@H]1C[C@H](NCc2ccc(B(O)O)o2)CCN1C 585026618 IUKBLHAHZACQOC-NXEZZACHSA-N 252.123 -0.468 50 20 CBGD COCC1(CNCc2ccc(B(O)O)cc2)CCOCC1 585042384 BWTJDMAJNNDDAZ-UHFFFAOYSA-N 293.172 -0.101 50 20 CBGD C[C@H]1NC(=O)CC[C@@H]1CNCc1ccccc1B(O)O 585045967 KWGAZFQYTMXOSU-GHMZBOCLSA-N 276.145 -0.629 50 20 CBGD O=S(=O)(CBr)N1CC[C@@H](B(O)O)C1 585056424 OAAMZJZKDLVNEX-RXMQYKEDSA-N 271.929 -0.783 50 20 CBGD O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCB(O)O 585057206 PEQSFTDIDUXTEL-ZZXKWVIFSA-N 250.019 -0.264 50 20 CBGD CCC(CC)N1C[C@H](C(=O)NCB(O)O)CC1=O 585061280 UYZCENNUYVXVKC-MRVPVSSYSA-N 256.111 -0.848 50 20 CBGD Cc1cc(C(=O)NCB(O)O)c(C)n1-c1ccon1 585062251 DTOIUYOCZVIYJE-UHFFFAOYSA-N 263.062 -0.176 50 20 CBGD COCCCNC(=O)NNC(=O)CCN1CCCC1=O 727731500 ICZPSVPNWCYLSV-UHFFFAOYSA-N 286.332 -0.634 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)CCCO1 733194650 FJQWKPMNJYDOPL-SECBINFHSA-N 255.318 -0.345 50 20 CBGD CN(C)C(=O)CNC(=S)NNC(=O)NC1CCCC1 743584504 FPOQURBFXPWLMD-UHFFFAOYSA-N 287.389 -0.305 50 20 CBGD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NNC(C)=O 749523503 NFVVTHCCWROBOM-QMMMGPOBSA-N 298.303 -0.005 50 20 CBGD O=C(CO)NNC(=O)CSCc1ccncc1 753445087 UNOVFULLXFYOKO-UHFFFAOYSA-N 255.299 -0.546 50 20 CBGD CCn1nccc1NC(=O)NNC(=O)CN(C)C 775712524 CJTUWJLBGQTVMN-UHFFFAOYSA-N 254.294 -0.383 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCC[C@H](C(N)=O)C2)cn1 787003361 IKPDXNWMGVYYEX-IUCAKERBSA-N 293.327 -0.527 50 20 CBGD CC(=O)N1CC(C(=O)NNc2ccnc(N(C)C)n2)C1 788588186 OJHIBADQYLWNSN-UHFFFAOYSA-N 278.316 -0.536 50 20 CBGD CC[C@@H](C)CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 792316612 JXDIXRQQJCLHGV-SFYZADRCSA-N 279.362 -0.492 50 20 CBGD COCC1(CNC(=O)NNC(=O)C(=O)NC2CC2)CCC1 800729684 BCUCBGQYFDEPDV-UHFFFAOYSA-N 298.343 -0.588 50 20 CBGD CC(C)N(C)C[C@H](C)NC(=O)NNC(=O)C(=O)NC1CC1 812508998 HQOZPGBYAGNQHF-VIFPVBQESA-N 299.375 -0.676 50 20 CBGD COc1ccnc(NNC(=O)[C@H]2CCCN2C=O)n1 821482043 UYYNSDHKOGGLKQ-MRVPVSSYSA-N 265.273 -0.451 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cncc(O)c1 843970668 JDSSZFHZPZZGSZ-GMSGAONNSA-N 265.269 -0.027 50 20 CBGD CCNC(=O)CCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843976860 ZMGUCDSQAVCGMT-DTWKUNHWSA-N 271.317 -0.525 50 20 CBGD CCCCNC(=O)NNC(=O)c1ccc(C(N)=O)[nH]1 858778178 CGGYNUCRMXWPTO-UHFFFAOYSA-N 267.289 -0.142 50 20 CBGD COC1CC(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1 862096212 VKXODHGPDZQJDF-NFTFJBJSSA-N 256.302 -0.016 50 20 CBGD CC(C)CCO[C@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862452673 GVERFIQKYJNCDM-NXEZZACHSA-N 285.344 -0.136 50 20 CBGD C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862461284 JKTNFWHSRVZSFJ-OKJYPTKPSA-N 269.301 -0.774 50 20 CBGD Cc1cccc(O)c1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862463282 ACGAPTWHMVUYNU-MRVPVSSYSA-N 277.280 -0.260 50 20 CBGD O=C(NNS(=O)(=O)CCOCC1CC1)c1cn[nH]c1 863413548 IZENSYPTDQPCDJ-UHFFFAOYSA-N 288.329 -0.600 50 20 CBGD CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNC(=O)CS(C)(=O)=O 863467209 QVARRPKRULCKHX-HTQZYQBOSA-N 292.357 -0.618 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H](C)c1ccccn1 869905075 JRXOHUUZQWWUTJ-JTQLQIEISA-N 281.312 -0.005 50 20 CBGD COCCOCC(=O)NNC(=O)CC1(O)CCCCC1 869910380 RGYIQTSEANIUNN-UHFFFAOYSA-N 288.344 -0.118 50 20 CBGD COCCOCC(=O)NN=Cc1ccnc(OC)n1 872400610 NLFSBZSZQRRWNE-UHFFFAOYSA-N 268.273 -0.402 50 20 CBGD CC(C)(CNCc1cccc(B(O)O)c1)C(=O)O 901506763 PVMFIUGAOMRECI-UHFFFAOYSA-N 251.091 -0.433 50 20 CBGD O=C(CCOCC(F)F)NNC(=O)CN1CCCC1=O 913732356 RZBBIEJQELWHLA-UHFFFAOYSA-N 293.270 -0.572 50 20 CBGD CCOC1CC(C(=O)NNC(=O)CN2CCCC2=O)C1 913732722 HSVTZGDHZNFRLO-UHFFFAOYSA-N 283.328 -0.429 50 20 CBGD C[C@H]1COC[C@H]1NCC(=O)NNC(=O)C(C)(C)C 932490153 VBAKNSUNRRGQTM-DTWKUNHWSA-N 257.334 -0.196 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](C)c1c(C)noc1C 1116181880 KXPSDYWOLCRFTL-RXMQYKEDSA-N 284.272 -0.144 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cnc(C(C)C)nc1 1116880740 KREMQXXAIQILTC-UHFFFAOYSA-N 295.299 -0.668 50 20 CBGD CNCCNC(=O)C(=O)NC[C@]1(C)C[C@H]1Br 1118766504 JQANPNJCLLQADH-XCBNKYQSSA-N 292.177 -0.388 50 20 CBGD CN(C)CCNC(=S)NNC(=O)c1cn[nH]c1 1118952555 FGVGZXPFINYCPU-UHFFFAOYSA-N 256.335 -0.920 50 20 CBGD Cc1cn2ccnc(C(=O)NNc3nccn(C)c3=O)c2n1 1255845395 DLDJYSPFOAVLMT-UHFFFAOYSA-N 299.294 -0.112 50 20 CBGD O=C(CO[C@H]1CCOC1)NNC(=O)Cc1ccncc1 1318986372 KNKDTKXMZRQJOQ-NSHDSACASA-N 279.296 -0.423 50 20 CBGD COC(=O)C(=O)NNC(=O)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 1319825053 HTXVSZGLNMZMOT-XAMCCFCMSA-N 267.285 -0.466 50 20 CBGD COC(=O)N(C)NC(=O)c1cnn(C)c1-n1cnnc1 1326042960 OIHRQTKHOPVVKN-UHFFFAOYSA-N 279.260 -0.656 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCN(C)C1CC1 1326748884 JAZGDHNTVPQFJZ-ONGXEEELSA-N 284.360 -0.164 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCn2ccnc2C1 1328106185 RATZSTMBASRSIL-VIFPVBQESA-N 288.311 -0.062 50 20 CBGD CC[C@H](C#N)C(=O)NNC(=O)C(=O)Nc1ccccn1 1328690291 VCWAFVQUCBHVTM-MRVPVSSYSA-N 275.268 -0.283 50 20 CBGD COCc1cncc(C(=O)N2CC[C@@H](B(O)O)C2)c1 1329215988 SRAVZUMZZVRMDG-LLVKDONJSA-N 264.090 -0.083 50 20 CBGD COc1ccc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)nc1 1330109915 YBAGZSKNLBSHDI-SNVBAGLBSA-N 292.295 -0.941 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1337270104 YANQFQVZQYRXOX-VPOLOUISSA-N 258.318 -0.618 50 20 CBGD C[C@H]1NCC[C@@H]1NC(=O)NNC(=O)Cc1cccnc1 1579504403 BFDOVOLXWXMJSH-KOLCDFICSA-N 277.328 -0.295 50 20 CBGD Cc1nnc(NNC(=O)C2(C3(O)CNC3)CCC2)n1C 1579912800 PSDZRNHFHAYUHE-UHFFFAOYSA-N 280.332 -0.929 50 20 CBGD O=C(NNc1ncncc1F)[C@H]1[C@H]2CCNC[C@H]21 1580743120 QOSKJDDKUISFGI-OOZYFLPDSA-N 251.265 -0.086 50 20 CBGD CC(=O)NNC(=O)Nc1cccc(-c2nn[nH]n2)n1 1588869853 JTOANOWPTGXIII-UHFFFAOYSA-N 262.233 -0.566 50 20 CBGD O=C(CO)NNC(=O)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C2 1594697580 NEXYYWJSDUZMOD-HFJPGXAFSA-N 256.258 -0.983 50 20 CBGD O=C(NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1)c1ncon1 1601553625 OLMSQCYVXARBGA-RNFRBKRXSA-N 282.256 -0.278 50 20 CBGD O=C(NNc1ncnc2[nH]cnc12)[C@H]1CC[C@H]1C(=O)O 1601563444 KYTRRLFQXVNYQA-NTSWFWBYSA-N 276.256 -0.093 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CO[C@H](CCC(=O)O)C1 1603202670 QIIBWXHXBYGOOR-OPRDCNLKSA-N 274.317 -0.400 50 20 CBGD Cn1ncc(C(=O)O)c1C=NNC(=O)c1cn[nH]c1 1776093997 VURYJBBFZJIBMF-UHFFFAOYSA-N 262.229 -0.395 50 20 CBGD COC(=O)NNS(=O)(=O)c1ccc2c(c1)CC(=O)N2 26318575 XZJTYYATOQCGSC-UHFFFAOYSA-N 285.281 -0.270 50 20 CBGD COC(=O)NNS(=O)(=O)c1ccc(C)c(C(N)=O)c1 32081648 GJEFOXOALQPVCS-UHFFFAOYSA-N 287.297 -0.357 50 20 CBGD CN1C(=O)C[C@@H](NS(=O)(=O)CCCCl)C1=O 84084555 YDUXYKPLBKSNMT-ZCFIWIBFSA-N 268.722 -0.708 50 20 CBGD CC(=O)NCCNC(=O)NNC(=O)CC(C)(C)C 103246346 NNMROCBJAJMJIG-UHFFFAOYSA-N 258.322 -0.111 50 20 CBGD COCCN(C)CCNC(=O)NNc1ccc(C)nn1 106271613 JTEDFZOIURDAQL-UHFFFAOYSA-N 282.348 -0.011 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2CN(C)CCO2)n1 266937230 OZRGHRSYGQEMIQ-SECBINFHSA-N 281.316 -0.433 50 20 CBGD CNC(=O)NCCC(=O)NNc1cc(Cl)nc(N)n1 293603220 YAPGLVSNWMFLJS-UHFFFAOYSA-N 287.711 -0.526 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H](O)c2cccnc2)O1 293865852 ISOSDASXZMZLIO-INTQDDNPSA-N 279.296 -0.170 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 294157629 HXQPHJSBHQCTJI-YIZRAAEISA-N 286.332 -0.462 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)[C@H]2COCCO2)cc1 298461476 YLKOPAFAQJBVPP-GFCCVEGCSA-N 294.307 -0.063 50 20 CBGD CCNC(=O)NNC(=O)CNC(=O)OCC(F)(F)F 491320845 RYWVOCVRSOMICX-UHFFFAOYSA-N 286.210 -0.375 50 20 CBGD COC(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 491499990 ZVYHJKVYSVYZNY-UHFFFAOYSA-N 299.308 -0.478 50 20 CBGD C[C@]1(O)CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584969503 MRLCZPJVZIVOMD-ZDUSSCGKSA-N 263.102 -0.647 50 20 CBGD CN1CC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2C1 584972371 VCIWHELQQGQLNP-BXUZGUMPSA-N 288.156 -0.467 50 20 CBGD CC1(CO)CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584976573 RPKCEUSGEOYRMX-UHFFFAOYSA-N 295.119 -0.260 50 20 CBGD C[C@@]1(O)CCCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584985215 JCDVJFDKWFMKSC-CQSZACIVSA-N 295.119 -0.117 50 20 CBGD O=C(NCCC[C@H]1CCOC1)c1ccc(B(O)O)cc1 584996211 ANIIVAYJQPGNBG-NSHDSACASA-N 277.129 -0.087 50 20 CBGD O=S1(=O)CCC[C@@H](NCc2cccc(B(O)O)c2)C1 585025422 UATZBPCTRLTCAQ-GFCCVEGCSA-N 283.158 -0.967 50 20 CBGD OC[C@H](NCc1ccc(B(O)O)o1)c1ccco1 585026832 KSTWYSKEPKOMRK-VIFPVBQESA-N 251.047 -0.624 50 20 CBGD CC(C)(CNCc1ccccc1B(O)O)OCCO 585042035 YVGRFGKKGFXLQO-UHFFFAOYSA-N 267.134 -0.757 50 20 CBGD O=S(=O)(NCB(O)O)c1ccccc1C(F)(F)F 585054182 IZCPCEAMPPBKIR-UHFFFAOYSA-N 283.036 -0.004 50 20 CBGD COc1ccc(S(=O)(=O)NCB(O)O)c(C)c1C 585055629 FPRHRMOPSGPOPS-UHFFFAOYSA-N 273.119 -0.398 50 20 CBGD CC(C)C(=O)NNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 729503044 CMMQUBKCPXLFPK-MNOVXSKESA-N 284.360 -0.164 50 20 CBGD CSC[C@H](C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 731324047 IBKPPLQDXQGRAP-JGVFFNPUSA-N 294.398 -0.432 50 20 CBGD CCNC(=O)N1CCN([C@@H](C)C(=O)NNC(=O)CC)CC1 732196592 CQWOYCGXIGWWIJ-JTQLQIEISA-N 299.375 -0.721 50 20 CBGD CNC(=O)C1(NCC(=O)NNC(=O)C2CC2)CCCC1 733999567 QLWKTGKEAKPOCG-UHFFFAOYSA-N 282.344 -0.808 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CCOC1 751203344 MIGZRNOMBLNJTL-MRVPVSSYSA-N 281.268 -0.807 50 20 CBGD Cc1c(C(=O)NNC(=O)CO)cc([N+](=O)[O-])cc1[N+](=O)[O-] 753445600 PVFGHNIJLDMPNF-UHFFFAOYSA-N 298.211 -0.435 50 20 CBGD COCC(=O)NNC(=O)Nc1ccc(C(N)=O)c(F)c1 756352106 QJCJBLKRGGOFMV-UHFFFAOYSA-N 284.247 -0.276 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc2nnnn2c1 758226822 IHUVTROTLRYJPI-UHFFFAOYSA-N 286.255 -0.769 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[S@@](=O)C[C@H](C)C1 763876243 JDEOQQVTVMHOCS-KFTBIWSRSA-N 289.401 -0.367 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)c1nnc(O)nc1O 765469617 URCMUPHGBITVEH-UHFFFAOYSA-N 289.251 -0.334 50 20 CBGD C[C@@H]1CO[C@H](CO)CN1CC(=O)NNC(=O)C(C)(C)C 766942894 HDNBBSXUAPBYHI-ZJUUUORDSA-N 287.360 -0.739 50 20 CBGD O=C(NN=c1cc[nH]cc1)[C@@H]1CN2CCCN1CC2 780762695 OEQZKZWKXHQTBJ-LBPRGKRZSA-N 261.329 -0.664 50 20 CBGD CCOCC(=O)NNC(=O)C(C)(OCC)OCC 790064717 BOWOROADQOEALW-UHFFFAOYSA-N 262.306 -0.041 50 20 CBGD Cn1cc(C(=O)CCC(=O)NNC(=O)C2CC2)cn1 792790156 SPYDEFKNHTUDIR-UHFFFAOYSA-N 264.285 -0.060 50 20 CBGD O=C(CC1OCCCO1)NNC(=O)c1ccc[nH]1 792852535 LUNWYSNLUKACDQ-UHFFFAOYSA-N 253.258 -0.071 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1cnn(C)c1C 813693468 PMELUMSSNVQCPW-UHFFFAOYSA-N 275.334 -0.417 50 20 CBGD CCN(CCO)NC(=O)CSc1n[nH]c(C)n1 823864765 CLUFRCYGYVWYBQ-UHFFFAOYSA-N 259.335 -0.449 50 20 CBGD CC(=O)NCCN(C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 827259772 LRHHRCNETYXULA-WPRPVWTQSA-N 286.332 -0.780 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CCCc2nn[nH]c21 831853802 GNQMBBVJRWZYIY-ZETCQYMHSA-N 266.305 -0.083 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)N1CCCCC1 842591743 FCPZKGVYHSPSDA-NXEZZACHSA-N 291.373 -0.237 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](O)c1ccccn1 843970334 DUVVKODDADGTGC-ATZCPNFKSA-N 279.296 -0.313 50 20 CBGD COc1cncc(C=NNC(=O)C(=O)NC2CC2)c1 853282997 YURWKPVOHDNTEL-UHFFFAOYSA-N 262.269 -0.181 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H](CCC)S(N)(=O)=O 854186466 ZTNLXYFCPNPHDY-ZETCQYMHSA-N 294.402 -0.875 50 20 CBGD N#CSCCCNC(=O)C1(n2cnnn2)CC1 854363966 UYIJJIPNLDFZRX-UHFFFAOYSA-N 252.303 -0.117 50 20 CBGD COCCN(C)NC(=O)[C@H](C)n1cnc2c(N)ncnc21 854409821 MMRUAEKTBOYHRQ-QMMMGPOBSA-N 293.331 -0.421 50 20 CBGD CN1CCN(CC(=O)NNc2ccnc(Cl)c2)CC1=O 855465093 GIQZEGBCMSMMAA-UHFFFAOYSA-N 297.746 -0.048 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@@H](C)[C@@H](CO)C1 856797931 MIBMVKRQETZJIX-GHMZBOCLSA-N 271.361 -0.260 50 20 CBGD CS[C@@H](C)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858313985 UHWGYALKLZWWPV-NKWVEPMBSA-N 274.346 -0.653 50 20 CBGD CN(C)C1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCC1 858380374 CPCQSCBCPUGEJX-SECBINFHSA-N 297.359 -0.920 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCC[C@@H]3COC[C@@H]32)N1 858703427 XSMJUYGEDKTFIC-UTLUCORTSA-N 296.327 -0.883 50 20 CBGD CC(=O)N[C@@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)C(C)C 862094124 GJIMDALYXUDUCU-DVVUODLYSA-N 285.344 -0.281 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cccc(F)c2)N1 862448311 CIVFNAJWICNUKI-VIFPVBQESA-N 265.244 -0.135 50 20 CBGD CO[C@@H](CC(C)C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862462505 XIWVKYXHCUVQTQ-BDAKNGLRSA-N 271.317 -0.527 50 20 CBGD Cc1cc(C)nc(C(=O)NNC(=O)CS(C)(=O)=O)c1 863466615 WRBDJNQGTNMETC-UHFFFAOYSA-N 285.325 -0.496 50 20 CBGD CCOC(=O)[C@H](C)CNC(=O)c1cccc(B(O)O)c1 863876608 HIUDNMXMGMMLQV-SECBINFHSA-N 279.101 -0.705 50 20 CBGD CCN1CCN(C(=O)c2ccc(B(O)O)cc2)C[C@@H]1C 863877413 DDKLWWCYHHOOTC-NSHDSACASA-N 276.145 -0.467 50 20 CBGD COCC(=O)NN=Cc1cn(C[C@H]2CCCO2)nn1 872357252 XOSYZWYYTNSRKY-SNVBAGLBSA-N 267.289 -0.446 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1)[C@H](C)C(=O)O 901444943 KPDXEUPYLPTOMP-IUCAKERBSA-N 251.091 -0.435 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@H]1C(=O)NCC1(C)C 931659360 WXWLLPWUXDXJJH-KOLCDFICSA-N 298.387 -0.317 50 20 CBGD O=C(NNC(=O)[C@@H]1CC12CCOCC2)C(=O)NC1CC1 1116207803 UEOQVODCXPZBIK-VIFPVBQESA-N 281.312 -0.771 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)[C@@H]3CCCO3)nc21 1116317216 FRWNAIBMPJFHLI-ZETCQYMHSA-N 278.272 -0.309 50 20 CBGD Cc1ccncc1/C=C\C(=O)NNC(=O)CS(C)(=O)=O 1118954020 MSESIRQHFOVEQM-ARJAWSKDSA-N 297.336 -0.405 50 20 CBGD CCn1cc(C=NNC(=O)[C@H]2CCC(=O)N2)c(C)n1 1120345315 UBIRFYGANRCORN-SNVBAGLBSA-N 263.301 -0.060 50 20 CBGD O=C(NNC(=O)C1CCOCC1)c1ccnc2ccnn12 1262031539 UWVUQBIIJJSFNC-UHFFFAOYSA-N 289.295 -0.083 50 20 CBGD O=C(NNS(=O)(=O)c1cn[nH]c1)c1ccc[nH]1 1317978332 RHDIDSLNIKZWSZ-UHFFFAOYSA-N 255.259 -0.639 50 20 CBGD Cn1cncc1C=NNC(=O)N[C@H]1CCS(=O)(=O)C1 1319706105 YTAPJXPVJAGNEU-QMMMGPOBSA-N 285.329 -0.760 50 20 CBGD CSCc1noc(CCC(=O)NN(C)C(N)=O)n1 1320005125 JBIUSRIKFARDOH-UHFFFAOYSA-N 273.318 -0.093 50 20 CBGD Cn1ccnc1CNC(=O)NNC(=O)c1ccc[nH]1 1321544757 JQQJMUQLYNHSLD-UHFFFAOYSA-N 262.273 -0.108 50 20 CBGD Cn1nc(NC(=O)C(=O)NNC(=O)C2CC2)cc1C1CC1 1323941065 DMWDYRUNPBDKDG-UHFFFAOYSA-N 291.311 -0.207 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CCOC[C@@H]1C 1325017318 KZZPGGCUOGNMJL-JGVFFNPUSA-N 273.289 -0.838 50 20 CBGD COC/C(C)=C\C(=O)NNC(=O)[C@H]1CCC(=O)N1 1330108230 NNOIAKCZSKEVFY-GRKOMRHMSA-N 255.274 -0.995 50 20 CBGD O=C(C[C@@H]1CCCS(=O)(=O)C1)NNC(=O)c1ccc[nH]1 1330310213 GAVMZAAABVOREY-VIFPVBQESA-N 299.352 -0.009 50 20 CBGD CCc1cc(C(=O)NNC(=O)c2cc[nH]n2)nn1C 1330908619 HMETVHOHQXGAIA-UHFFFAOYSA-N 262.273 -0.220 50 20 CBGD CN(C)CCCNC(=O)NNC(=O)c1cccnn1 1333588434 OUDZQODGMOQREU-UHFFFAOYSA-N 266.305 -0.628 50 20 CBGD CC[C@@H](CN1CCCC1)NC(=O)NNC(=O)C(=O)OC 1340291228 HONXQQHXWOUGQS-VIFPVBQESA-N 286.332 -0.636 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCN(C)C2=O)cc1 1342858095 BFOGDTNGVOPDEZ-NSHDSACASA-N 291.307 -0.066 50 20 CBGD CNC(=O)COc1ccc(C(=O)NN)cc1OC 1345751223 LNXVNTPIBBPKLJ-UHFFFAOYSA-N 253.258 -0.577 50 20 CBGD CC(C)NC(=S)NNC(=O)COCc1nncn1C 1347623255 YYTDZCIBNISWCR-UHFFFAOYSA-N 286.361 -0.765 50 20 CBGD Cc1cc(COCC(=O)NN(C)C[C@@H](C)O)no1 1358307478 TWKLIDBFCYPBKS-MRVPVSSYSA-N 257.290 -0.157 50 20 CBGD CCO/C=C(\C#N)C(=O)N(C)N1CCS(=O)(=O)CC1 1521964835 KMHCBAVXOAJYSR-MDZDMXLPSA-N 287.341 -0.466 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@@H](N)C(C)(C)C 1575697184 BKTRMYTZFURRLT-MRVPVSSYSA-N 272.349 -0.578 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cc2n(n1)CCC[C@@H]2N 1576271889 IWAJMAVUYFNFGB-IUCAKERBSA-N 267.333 -0.366 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H](CN)c1ccccc1 1579056256 NKYVMMHCNMSNHB-LBPRGKRZSA-N 295.339 -0.461 50 20 CBGD Cc1nc(C2CC2)nc(S)c1C(=O)NNC(=O)CN 1579850363 XJCSAPADWHJGJS-UHFFFAOYSA-N 281.341 -0.329 50 20 CBGD N[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)c1cnn[nH]1 1580176442 GLLUGOQJEJEHLS-NKWVEPMBSA-N 252.278 -0.917 50 20 CBGD O=C(NNC(=O)C(F)(F)C1(O)CCC1)[C@H]1CCN1 1580732967 LFTUFEVUFHLBNC-ZCFIWIBFSA-N 263.244 -0.954 50 20 CBGD O=C(NNC(=O)[C@H]1CCN1)c1ccc2n[nH]cc2c1 1580733565 XXIPMLSMKJKTAQ-SNVBAGLBSA-N 259.269 -0.314 50 20 CBGD C[C@@H](C(=O)O)C(=O)NNc1ccc(-n2ccnc2)nn1 1588576179 ONETUVXLKWBJDW-SSDOTTSWSA-N 276.256 -0.174 50 20 CBGD COC[C@](C)(NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)O 1606786336 SLRAMPCRUNBIJO-CFDVYZKQSA-N 292.295 -0.067 50 20 CBGD O=C(O)C[C@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 1608696449 ZYIISVWFURKPTQ-LLVKDONJSA-N 277.085 -0.554 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1cc(C(=O)O)no1 1610609301 RYZLETBUJNLESS-UHFFFAOYSA-N 278.224 -0.214 50 20 CBGD NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793110689 XHGRLYGBJBKGJP-UTINFBMNSA-N 289.763 -0.817 50 20 CBGD O=C(NCc1ccc(F)cc1)NNC(=O)C(=O)NC1CC1 42298310 ZULYIHQQXHMYAP-UHFFFAOYSA-N 294.286 -0.065 50 20 CBGD O=C(NNC(=O)c1ccccn1)c1cc[n+]([O-])cc1 48392002 QNIIUJACNHKDRI-UHFFFAOYSA-N 258.237 -0.210 50 20 CBGD COC[C@H](CNC(=O)NNC(=O)c1ccccc1O)OC 272923446 KMSOALDTQFHAEJ-VIFPVBQESA-N 297.311 -0.002 50 20 CBGD Cc1cccnc1NNC(=O)[C@@H](C)NS(C)(=O)=O 276709227 JWZWZFMEVVOASK-MRVPVSSYSA-N 272.330 -0.229 50 20 CBGD Cc1oc(C#N)cc1C(=O)NNC(=O)C(C)(C)O 280817378 MZMBGBYQGFEJMX-UHFFFAOYSA-N 251.242 -0.008 50 20 CBGD CCOC(=O)NN=Cc1nc2c(c(O)nc(=O)n2C)n1C 490754496 PIJTVSUSHORNHM-UHFFFAOYSA-N 294.271 -0.547 50 20 CBGD C[C@H](CNC(=O)c1ccc(B(O)O)cc1)N(C)C 584935353 HPUWDOLGZDUEHT-SECBINFHSA-N 250.107 -0.954 50 20 CBGD O=C(NC[C@@H]1CCCC[C@H]1O)c1cc(B(O)O)ccc1F 584948610 DQHRZZMHIOGVGO-TVQRCGJNSA-N 295.119 -0.214 50 20 CBGD C[C@@H]1C[C@H](NC(=O)c2ccc(B(O)O)cc2)CCN1C 584950374 JJWQAHWZCVHTDA-ZWNOBZJWSA-N 276.145 -0.421 50 20 CBGD O=C(NC[C@H]1CCCS1)c1ccc(B(O)O)cc1 584959146 YMIVKBHNTQXAPB-LLVKDONJSA-N 265.143 -0.008 50 20 CBGD O=C(N[C@@H](CO)CC1CC1)c1ccc(B(O)O)c(F)c1 584968438 AXGHSLIEKMQNOU-SNVBAGLBSA-N 281.092 -0.604 50 20 CBGD C[C@H]1[C@@H](C)N(C(=O)c2ccc(B(O)O)cc2)CC[S@@]1=O 584985425 MCBRQISQSYPUKT-ARNPGYACSA-N 295.169 -0.652 50 20 CBGD O=C(N[C@@H]1CC[C@H](F)C1)c1cccc(B(O)O)c1 584990482 XGUDGJHSQOIFSN-WDEREUQCSA-N 251.066 -0.013 50 20 CBGD CN(C)CCCCNCc1ccccc1B(O)O 585019560 ODUZZCUFCZQUKP-UHFFFAOYSA-N 250.151 -0.202 50 20 CBGD OB(O)c1ccc(CNCCOC(F)F)c(F)c1 585047242 LQLKTWZWRQIDOV-UHFFFAOYSA-N 263.024 -0.166 50 20 CBGD O=S(=O)(N1CCCCCC1)N1CC[C@H](B(O)O)C1 585057639 IDOZHIAMTDTVTP-JTQLQIEISA-N 276.167 -0.344 50 20 CBGD CC(C)(C)N1C[C@H](C(=O)N2CC[C@H](B(O)O)C2)CC1=O 585074797 CQDCMCCBKRPGAY-ZJUUUORDSA-N 282.149 -0.291 50 20 CBGD CC(C)CC(=O)NCCC(=O)N1CC[C@H](B(O)O)C1 585078089 VOAHVRYMDVDUOT-JTQLQIEISA-N 270.138 -0.386 50 20 CBGD CN(CCCNS(=O)(=O)CCl)S(C)(=O)=O 692479921 WUZIERQEKJOENY-UHFFFAOYSA-N 278.783 -0.616 50 20 CBGD CCOCC(=O)NNC(=O)NCc1ccccn1 731219118 NYARHMVWXACIOU-UHFFFAOYSA-N 252.274 -0.052 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](C(=O)O)C1 736401693 KSNYGIYNVGZKAH-NXEZZACHSA-N 285.344 -0.025 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1C[C@@H]1C(=O)O 736899242 FKCAVCONXQEJPY-YUMQZZPRSA-N 285.300 -0.841 50 20 CBGD CCOCC(=O)NNC(=O)NCC[S@](=O)C(C)(C)C 741412262 NBNCHMBXCHBAEJ-IBGZPJMESA-N 293.389 -0.100 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)C2(C(N)=O)CCC2)c1 747908238 WFQLYGXKECJDQJ-UHFFFAOYSA-N 286.291 -0.025 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NN=Cc1cn(C)nn1 755584188 JPFWOGLQJRPPHH-SNVBAGLBSA-N 280.332 -0.767 50 20 CBGD Cn1ccnc(NC(=O)NNC(=O)c2ccc[nH]2)c1=O 757904916 ADDMUYCLSHWHAD-UHFFFAOYSA-N 276.256 -0.425 50 20 CBGD NC(=O)[C@@H]1CC[C@@H](CNC(=O)NNc2ncccn2)O1 760202437 DIUOXGWDMWFTPU-YUMQZZPRSA-N 280.288 -0.864 50 20 CBGD CN(NC(=O)CNC(=O)Cc1ccc(O)cc1)C(N)=O 765629752 DZEPZSIBXRHTOX-UHFFFAOYSA-N 280.284 -0.907 50 20 CBGD C[C@@H]1C(=O)CC[C@@H](C(=O)NNC(=O)CO)C1(C)C 781967212 AINFTFFKEMJMLM-SFYZADRCSA-N 256.302 -0.233 50 20 CBGD COCCONC(=O)NNC(=O)Cn1nc(C)cc1C 789352674 PRXPKTMGBBQULD-UHFFFAOYSA-N 285.304 -0.592 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCO[C@]2(CCO[C@@H]2C)C1 791586397 DEBURWOADUTBPO-MISXGVKJSA-N 299.371 -0.188 50 20 CBGD O=C(CO)NNC(=O)c1ccc2c(c1)SCC(=O)N2 810919207 QCZPYWXXDPWLAI-UHFFFAOYSA-N 281.293 -0.516 50 20 CBGD CCN1CCN(CCC(=O)NNC(=O)CC2CC2)CC1 819104593 PPGFELTZIROKJU-UHFFFAOYSA-N 282.388 -0.039 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)CCOCC1CC1 819879408 NLVGQFSZRMDEIJ-UHFFFAOYSA-N 279.362 -0.091 50 20 CBGD CCN(CCO)NC(=O)c1ccnc2c1nnn2C 823884631 CFTCTYRFSCXPCF-UHFFFAOYSA-N 264.289 -0.678 50 20 CBGD CN(C)S(=O)(=O)NCC(=O)NNc1ccc(C#N)cc1 830776709 ULYQXUJAYBKTJV-UHFFFAOYSA-N 297.340 -0.603 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCN1C(=O)CCC1=O 843641629 GXJWQYBKOJBIII-DTWKUNHWSA-N 297.311 -0.902 50 20 CBGD Cc1c[nH]nc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843971468 QPBHSSMHUWCZDU-JGVFFNPUSA-N 252.274 -0.096 50 20 CBGD O=C(NNc1cnccn1)[C@@H]1CCc2nnnn2CC1 845955843 TZRRSPRBEYJNIB-MRVPVSSYSA-N 274.288 -0.441 50 20 CBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNc1cccc(F)n1 854442632 DPODWXUWRQHVAJ-ZETCQYMHSA-N 290.320 -0.008 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)c2cc[nH]n2)CC1=O 855359023 BVEVGJOCTRSARN-SSDOTTSWSA-N 265.273 -0.961 50 20 CBGD CC[C@@H]1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858695715 FLLOKHDTTHBZJE-RKDXNWHRSA-N 268.317 -0.262 50 20 CBGD Cc1cccc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862453911 OGHIVLHQQFGBNI-LLVKDONJSA-N 275.308 -0.036 50 20 CBGD CC(=O)c1csc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862454040 BPRSNANPKRWRCQ-QMMMGPOBSA-N 295.320 -0.010 50 20 CBGD CCCN1CCC[C@H]1C(=O)NNC(=O)CS(C)(=O)=O 863459346 BEFRPOHFNOQLCB-VIFPVBQESA-N 291.373 -0.947 50 20 CBGD C=C[C@@](C)(CCOC)C(=O)NNC(=O)CS(C)(=O)=O 863464294 BUCLTLKYMHFHRR-NSHDSACASA-N 292.357 -0.593 50 20 CBGD C#C[C@@H](NC(=O)c1cc(B(O)O)ccc1F)[C@@H]1CCCO1 863879208 OKXIRFMHVDYKQM-OLZOCXBDSA-N 291.087 -0.584 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc(F)c(C(=O)O)c1 916108187 RAMDGLBYWNFQEC-UHFFFAOYSA-N 276.245 -0.147 50 20 CBGD O=C(NNC(=O)c1n[nH]c(O)n1)c1ccc([N+](=O)[O-])cc1 918287010 WUQVLVLIMWMEIQ-UHFFFAOYSA-N 292.211 -0.507 50 20 CBGD CC(=O)c1csc(C(=O)NNC(=O)C(=O)NC2CC2)c1 1116006842 BIQYAZTVKXICMM-UHFFFAOYSA-N 295.320 -0.010 50 20 CBGD COc1cc(C(=O)NNC(=O)c2cnn(C)c2)ccn1 1116088408 TWRPQKLYGGABPW-UHFFFAOYSA-N 275.268 -0.102 50 20 CBGD CCc1cc(C(=O)NNC(=O)c2cn[nH]c2)nn1C 1118942646 GGUXQJNMCREANQ-UHFFFAOYSA-N 262.273 -0.220 50 20 CBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)c1ccncc1 1123465972 ZFKNPOMTSKRNCV-ZYHUDNBSSA-N 289.339 -0.769 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CO[C@H]1CCOC1 1253646856 NMYUMDYZQHJHOM-VIFPVBQESA-N 267.285 -0.408 50 20 CBGD C[C@H](C(=O)NNc1ncncc1F)[C@H]1CCC(=O)N1 1261825115 VTKZLOYFBWVYTD-POYBYMJQSA-N 267.264 -0.027 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1262629472 AWVOGQNBWPPTEZ-WTPMCQDGSA-N 298.339 -0.390 50 20 CBGD CNC(=O)NNC(=O)C1CCN(CC(F)F)CC1 1322791409 NBTQGWHWKACFJL-UHFFFAOYSA-N 264.276 -0.076 50 20 CBGD O=C(Cc1cc(O)nc(O)n1)NN=CC[C@@H]1CCOC1 1323196424 JNSFJLZZHQNRJL-MRVPVSSYSA-N 280.284 -0.041 50 20 CBGD Nc1cnnc(NNC(=O)C[C@@H]2COCCN2)c1Cl 1326612750 VRWZZKUBSHCFAW-ZCFIWIBFSA-N 286.723 -0.466 50 20 CBGD Cn1nnc2c1CC[C@H](NC(=O)NNc1cccnn1)C2 1327710844 ICWYKZCLNDKRQB-QMMMGPOBSA-N 288.315 -0.211 50 20 CBGD C[C@H](NC(=O)NNC(=O)c1cn[nH]c1)[C@H]1CCOC1 1328700841 UBDKHCXYNBYCQI-YUMQZZPRSA-N 267.289 -0.221 50 20 CBGD CCNC(=O)NNC(=O)[C@@H](C)n1cnc2c(N)ncnc21 1330233855 KNSWDUVMBMGIQI-ZCFIWIBFSA-N 292.303 -0.680 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc[nH]2)CN1 1337467883 KTPIYQSYBDTBSL-SSDOTTSWSA-N 250.258 -0.698 50 20 CBGD CCC(=O)N1CCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1348122151 DYLMGQGQJZDORM-UHFFFAOYSA-N 280.288 -0.724 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CS[C@H]1CCS(=O)(=O)C1 1348955493 MRGOGURDSJHSOB-IUCAKERBSA-N 296.414 -0.750 50 20 CBGD Cc1nnc(O)c(C(=O)NN(C)C[C@@H](C)O)c1C 1354058902 PJLSJSYFLWCHTD-ZCFIWIBFSA-N 254.290 -0.244 50 20 CBGD C[C@H](O)CN(C)NC(=O)CN(CCN)Cc1ccccc1 1576271779 HQBUBVGYLHMNAZ-ZDUSSCGKSA-N 294.399 -0.209 50 20 CBGD COCCN(C)NC(=O)c1ccc(-c2nn[nH]n2)c(O)c1 1605094860 HYBIXQBQANAHRO-UHFFFAOYSA-N 292.299 -0.205 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@@H]1CCS(=O)(=O)C1 7962073 NPGMUCAOXXIRDN-SSDOTTSWSA-N 293.414 -0.285 50 20 CBGD CC(C)NC(=O)NNC(=O)CN1CCSC1=O 49468568 RIQRLAWRPABAAA-UHFFFAOYSA-N 260.319 -0.106 50 20 CBGD CCOC(=O)N1CCC[C@H](C(=O)NNC(=O)NC)C1 56376433 DKESWADDIFRYNT-QMMMGPOBSA-N 272.305 -0.185 50 20 CBGD O=C(NNC(=O)C1CC1)c1ccccc1-n1cnnn1 58846381 FZQJPCMANSELIQ-UHFFFAOYSA-N 272.268 -0.167 50 20 CBGD CS(=O)(=O)N[C@@H]1CCCN(S(=O)(=O)CCl)C1 82512522 FEEDXKHPEGVCDH-SSDOTTSWSA-N 290.794 -0.474 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCCN(C(=O)CC)CC1 111204747 RANOTQBALULWJG-NSHDSACASA-N 298.387 -0.123 50 20 CBGD Cc1nccc(C(=O)NNC(=O)c2cnn(C)c2)n1 117678586 OLPNUJGCIONUPC-UHFFFAOYSA-N 260.257 -0.407 50 20 CBGD CCCCNC(=O)NNC(=O)CS(=O)(=O)C(C)C 142532361 HWJARILDDKFLQQ-UHFFFAOYSA-N 279.362 -0.060 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 270847919 PCDVQTITMMVPBG-OYVNLZQHSA-N 281.312 -0.518 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CCCN1C(C)=O 281397382 YINHRIVWAPRPDU-VIFPVBQESA-N 270.358 -0.321 50 20 CBGD O=C(NNC(=O)[C@@H]1OC[C@H]2COCC[C@@H]21)c1ccccn1 289750823 IVODXSMZXPVYQQ-JFGNBEQYSA-N 291.307 -0.106 50 20 CBGD CC(C)(C)[C@H](NC(N)=O)C(=O)Nc1cccc(B(O)O)c1 584912494 GHDHHJLOVJQKQA-SNVBAGLBSA-N 293.132 -0.612 50 20 CBGD COCCOC[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F 584951135 ILNXKVPYZLANFN-SECBINFHSA-N 299.107 -0.713 50 20 CBGD CCN1CCCN(C(=O)c2ccc(B(O)O)cc2)CC1=O 584980133 RJMIXFITZLQPMZ-UHFFFAOYSA-N 290.128 -0.939 50 20 CBGD CC(C)OC[C@H](CO)N(C)C(=O)c1ccc(B(O)O)cc1 584983772 SXTHOLAIDKKBEM-ZDUSSCGKSA-N 295.144 -0.776 50 20 CBGD O=S(=O)(NCB(O)O)N1CCC2(CCCCC2)CC1 585056406 VIGMLRMGGXPEHO-UHFFFAOYSA-N 290.194 -0.121 50 20 CBGD CN(C)c1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cn1 585056614 RJTXYKNKWPIFMW-SECBINFHSA-N 299.161 -0.615 50 20 CBGD O=C(NCB(O)O)c1nn(-c2ccccc2)cc1O 585059103 ZIIGMHRGBMOFGA-UHFFFAOYSA-N 261.046 -0.680 50 20 CBGD Cc1cc(OCC(=O)NNC(=O)CN(C)C)no1 727298449 SAUPJDNBHVYVLP-UHFFFAOYSA-N 256.262 -0.929 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(C#N)cc1 728436778 JCEAJKBMHXLSNQ-VIFPVBQESA-N 294.336 -0.054 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)N1C(=O)CCC1=O 732084262 UYLGHRIUSGGCRB-SSDOTTSWSA-N 293.283 -0.983 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=S)N[C@@H](C)COC 733948123 QOQNNMMECKJRBV-IUCAKERBSA-N 293.389 -0.432 50 20 CBGD CNC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1 735040545 QCYCADPWRWYCQI-UHFFFAOYSA-N 250.258 -0.106 50 20 CBGD Cc1cc(C(=O)NNC(=O)N(C)C)ccc1-n1cnnn1 746001657 RKKUDOBDRHPBTE-UHFFFAOYSA-N 289.299 -0.113 50 20 CBGD O=C(NNC(=O)C1(C(=O)NC2CC2)CC1)C1CC1 749400376 HDRGSLUDIKRUAS-UHFFFAOYSA-N 251.286 -0.397 50 20 CBGD Cn1c(N)c(C=NNC(=O)CC(C)(C)C)c(=O)n(C)c1=O 749816207 YVCYUMIOTHAILE-UHFFFAOYSA-N 295.343 -0.448 50 20 CBGD COc1ccc(F)cc1NC(=O)C(=O)NNC(C)=O 763516516 KXCDJUUFLTWBDL-UHFFFAOYSA-N 269.232 -0.060 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H]([C@H](C)O)C1 780359363 SZGLUDLFAFGRCK-LPEHRKFASA-N 257.334 -0.365 50 20 CBGD C[C@@H]1CC[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1 780795092 WRYIMSMGJPGJNA-APPZFPTMSA-N 268.317 -0.216 50 20 CBGD CC[C@@H]1C[C@H]1NC(=O)NNC(=O)C(=O)NC1CC1 798120835 XOYCTMVBEQKNAV-HTRCEHHLSA-N 254.290 -0.606 50 20 CBGD Cc1cccc(OCC(=O)NNC(=O)c2cnnn2C)c1 798826189 QVRNDGJUJPOPEM-UHFFFAOYSA-N 289.295 -0.036 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)c2cnnn2C)cc1 798830373 QQXCSXPDDUJUND-UHFFFAOYSA-N 289.295 -0.036 50 20 CBGD O=C(NNC(=O)c1cccc(CO)c1)C(=O)N1CCCC1 813428831 IDSREHOTXHLKSI-UHFFFAOYSA-N 291.307 -0.438 50 20 CBGD CCN(CCO)NC(=O)CCNC(=O)CC(C)C 823860004 GXPYEVDMNGKOLU-UHFFFAOYSA-N 259.350 -0.116 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc2ncnn12 843659014 TWHFOINMOJNWMA-BDAKNGLRSA-N 289.295 -0.085 50 20 CBGD Cc1cccnc1NNC(=O)Cn1nc(C)n(C)c1=O 847891862 KEDMPEPWUKWQSG-UHFFFAOYSA-N 276.300 -0.263 50 20 CBGD CCOC(=O)[C@@](C)(O)CNS(=O)(=O)CCl 849387809 WSNFWKMMQKSXFA-ZETCQYMHSA-N 259.711 -0.584 50 20 CBGD O=S(=O)(CBr)NC[C@H]1CNCCCO1 850588283 ZFQNJCHZYDPZCY-SSDOTTSWSA-N 287.179 -0.363 50 20 CBGD CCOC(=O)CC(=O)NNC(=O)C(C)(OCC)OCC 854386856 VWWCPDDBGBDZIP-UHFFFAOYSA-N 290.316 -0.124 50 20 CBGD CO[C@@H](C)CCNC(=O)NNC(=O)c1cn[nH]c1 858194517 DMDOFCIWYYDCIQ-ZETCQYMHSA-N 255.278 -0.221 50 20 CBGD COCc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862450046 WDJMQAQNXVXGGA-NSHDSACASA-N 291.307 -0.127 50 20 CBGD C#CCCCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862459989 CRRKKWZBRSLNLM-SECBINFHSA-N 251.286 -0.394 50 20 CBGD COC(=O)Cn1cccc1C=NNC(=O)[C@@H]1CCC(=O)N1 863148102 SXAQBQVLOZTGCF-JTQLQIEISA-N 292.295 -0.610 50 20 CBGD CCCNC(=O)NNC(=O)/C=C\CN1CCOCC1 865024180 ZYVCDCNCKPONBK-ARJAWSKDSA-N 270.333 -0.385 50 20 CBGD Cc1cc(=NNC(=O)NCCNC(=O)C2CC2)cc[nH]1 875006319 IMGXUADWGVUQRJ-UHFFFAOYSA-N 277.328 -0.036 50 20 CBGD C[C@]1(C(=O)N[C@@H](CO)C(N)=O)C[C@@H]1Br 908136592 DBBBNVYGPLUTII-YQJDLUKNSA-N 265.107 -0.878 50 20 CBGD CC[C@H](C)C(=O)NN=Cc1cn(C)c(=O)n(C)c1=O 915974699 NPDOBLJGOHDZNW-QMMMGPOBSA-N 266.301 -0.420 50 20 CBGD O=C(CCN1CCOC1=O)NNC(=O)CC(F)(F)F 919816973 KXXMIFLGTBQKSO-UHFFFAOYSA-N 283.206 -0.072 50 20 CBGD O=C(NNC(=O)c1ccon1)C(=O)N1CCCC1 1115925701 SZHSVPSRFARVOT-UHFFFAOYSA-N 252.230 -0.942 50 20 CBGD O=C(NNC(=O)[C@@H]1CCn2ccnc2C1)c1cn[nH]c1 1118942482 FFFHEWNICRXRER-MRVPVSSYSA-N 274.284 -0.370 50 20 CBGD Cc1ccn(C)c1C(=O)NNC(=O)C(=O)NC1CC1 1255505452 WHMATXFOHYGXRX-UHFFFAOYSA-N 264.285 -0.627 50 20 CBGD CN1C(=O)CC[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)C1=O 1261445043 OGOHUFNGISBTAD-MRVPVSSYSA-N 293.283 -0.894 50 20 CBGD COC(=O)N(C)NC(=O)C1(S(C)(=O)=O)CCOCC1 1324275094 AQWQNFOUBSQKKI-UHFFFAOYSA-N 294.329 -0.690 50 20 CBGD COC(=O)C(=O)NN=C1CCC(C(=O)OC)CC1 1326317313 DFSZYKZOCIXUBN-UHFFFAOYSA-N 256.258 -0.005 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CSC[C@H]1C 1326902894 VCBMMICJFGJYDP-PHDIDXHHSA-N 261.303 -0.759 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCCS(C)(=O)=O 1328553096 YNRPICYZLFFHMT-DTWKUNHWSA-N 292.357 -0.616 50 20 CBGD COCCCNC(=O)NNC(=O)c1cccc(C#N)n1 1330110100 NMYJMPOSOMYOSU-UHFFFAOYSA-N 277.284 -0.066 50 20 CBGD Cc1cnccc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1330505733 WREUWUVECGXFNO-VIFPVBQESA-N 297.336 -0.414 50 20 CBGD COCCn1cc(C(=O)NN(C)C[C@@H](C)O)c(=O)cc1C 1332629361 MKYXAQMBWXGKJY-LLVKDONJSA-N 297.355 -0.239 50 20 CBGD O=C1CCC(NC(=O)c2ccc(B(O)O)cc2)CC1 1339809769 XZSCTIMZPZYHCN-UHFFFAOYSA-N 261.086 -0.392 50 20 CBGD Cn1ccnc(NNC(=O)c2c[nH]c(C#N)c2)c1=O 1341944967 MGXVTEKFCJNXAR-UHFFFAOYSA-N 258.241 -0.263 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cccc[n+]1[O-] 1343530291 YDDJTTUEGCZRLH-UHFFFAOYSA-N 297.311 -0.130 50 20 CBGD O=C(NCCO[C@@H]1CCOC1)NNc1ccncn1 1522462594 WMSYYJBJFBPJTO-SECBINFHSA-N 267.289 -0.092 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)[C@@H](N)[C@@H](C)O 1579787646 ASCWWNQCDMNJKZ-SCZZXKLOSA-N 251.286 -0.536 50 20 CBGD O=C(O)CC1(C(=O)NNC(=O)[C@@H]2COCCO2)CCC1 1594976479 SWJWJEPJGLYGTR-QMMMGPOBSA-N 286.284 -0.806 50 20 CBGD CCOC(CCNC(=O)NNC(=O)C(=O)O)OCC 1596784359 IGMXPAPGFLYCON-UHFFFAOYSA-N 277.277 -0.809 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1C[C@@H]1c1ccccc1 1601552641 CAUBBMHFEUGRMO-BDAKNGLRSA-N 263.253 -0.043 50 20 CBGD O=C(O)c1coc(C(=O)N2CC[C@@H](B(O)O)C2)c1 1608986063 YTTUEMLKVOFZFK-SSDOTTSWSA-N 253.019 -0.333 50 20 CBGD Cc1cc(C=NNC(=O)c2cn(C)nn2)[nH]c1C(=O)O 1776092636 WEEUTWJZNILYEY-UHFFFAOYSA-N 276.256 -0.086 50 20 CBGD CC(=O)NNC(=O)CCn1nnc2ccccc2c1=O 48449563 RWAIEJWWDWVLLA-UHFFFAOYSA-N 275.268 -0.651 50 20 CBGD CCNC(=O)NNC(=O)Cc1ccc(-n2cnnn2)cc1 65190006 PYSLMFIGJQWUKE-UHFFFAOYSA-N 289.299 -0.445 50 20 CBGD O=S(=O)(CBr)N1CCN(CCO)CC1 127024602 BZEMGPRXGREHRF-UHFFFAOYSA-N 287.179 -0.722 50 20 CBGD Cc1cc(C(=O)NNC(=O)Cc2cnn(C)c2)[nH]n1 153358860 UHMCLTQUCHWTAE-UHFFFAOYSA-N 262.273 -0.545 50 20 CBGD CCOC(=O)NCCCC(=O)NNC(=O)N(C)C 269754616 TWQCEMVJDNLXKN-UHFFFAOYSA-N 260.294 -0.185 50 20 CBGD COC(=O)NNC(=O)[C@@H](C)[C@@H](C)C(=O)NNC(=O)OC 276833759 RQCNLBSOQNYBBE-OLQVQODUSA-N 290.276 -0.967 50 20 CBGD COCCN(C)NC(=O)c1ccc(-n2cncn2)nc1 288518176 NLTKUAXSVZDDCC-UHFFFAOYSA-N 276.300 -0.115 50 20 CBGD C#CCO[C@@H](C)C(=O)NNC(=O)C(C)(OCC)OCC 295584969 ZULUDCNRGQOJGZ-JTQLQIEISA-N 286.328 -0.039 50 20 CBGD Cn1cnc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1 494449964 CQNPQQZTYJSNII-UHFFFAOYSA-N 297.315 -0.294 50 20 CBGD CC(C)O[C@]1(C(=O)Nc2cccc(B(O)O)c2)CCOC1 584910378 AYBXVWIIXJTGAD-CQSZACIVSA-N 293.128 -0.111 50 20 CBGD O=C(CCCn1cncn1)Nc1cccc(B(O)O)c1 584913451 XDNHBXVNWUUVRX-UHFFFAOYSA-N 274.089 -0.623 50 20 CBGD CCCN(CCN(C)C)C(=O)c1ccc(B(O)O)cc1 584951511 RNVUXXZEERVGKI-UHFFFAOYSA-N 278.161 -0.220 50 20 CBGD C[C@H](O)[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584964034 CHIMSGFBERXFCO-JQWIXIFHSA-N 277.129 -0.401 50 20 CBGD C[C@@]1(NC(=O)c2cccc(B(O)O)c2)CCCOC1 584969733 IJICFCYRHWAQSF-CYBMUJFWSA-N 263.102 -0.335 50 20 CBGD CN(C[C@@H](O)C(F)(F)F)C(=O)c1ccc(B(O)O)cc1 584971194 ZUXKAYAYHQLDLS-SECBINFHSA-N 291.034 -0.638 50 20 CBGD CC(C)[C@@H](CO)CNC(=O)c1cc(B(O)O)ccc1F 584990157 PYQIGISHZUEROM-SECBINFHSA-N 283.108 -0.500 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@@H](F)C1 584995017 HBFBBABPNVWWLW-MRVPVSSYSA-N 255.029 -0.311 50 20 CBGD N#CC1(CNC(=O)c2ccc(B(O)O)c(F)c2)CCC1 585000898 QKMALMWAAHTCRY-UHFFFAOYSA-N 276.076 -0.071 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@]1(C)CO 585007485 APNHLKMCNVRPDH-IINYFYTJSA-N 277.129 -0.543 50 20 CBGD CCN(CC)C(=O)CCNCc1ccc(B(O)O)cc1F 585017086 KTYRODIMTJUFSI-UHFFFAOYSA-N 296.151 -0.146 50 20 CBGD CC(C)C[C@H](CO)NCc1ccc(B(O)O)cc1 585018276 JSVZWMPMSSEGOG-CYBMUJFWSA-N 251.135 -0.137 50 20 CBGD COCCCN(C)CCNCc1ccc(B(O)O)cc1F 585026000 BCDWEKKGHXGEMZ-UHFFFAOYSA-N 298.167 -0.437 50 20 CBGD COC[C@@H](NCc1ccc(B(O)O)o1)[C@@H]1CCCO1 585038417 DOFFPBJAEBOALC-MNOVXSKESA-N 269.106 -0.757 50 20 CBGD CN(C)C1CCC(NCc2ccc(B(O)O)o2)CC1 585047987 IJPDRCXGCMGXRJ-UHFFFAOYSA-N 266.150 -0.078 50 20 CBGD CCc1nnc2ccc(N3CC[C@H](B(O)O)C3)nn12 585073720 OGMZGASPRMTQQK-QMMMGPOBSA-N 261.094 -0.260 50 20 CBGD C[C@H](OC[C@H]1CCCO1)C(=O)NNC(=O)Cc1cc[nH]n1 730091839 ZBLYAHXGYPSEFF-GXSJLCMTSA-N 296.327 -0.316 50 20 CBGD CCNC(=O)CN(CC)CC(=O)NNC(=O)C(C)(C)C 744386223 HFWMZBNGHFKKTP-UHFFFAOYSA-N 286.376 -0.362 50 20 CBGD CN(C)C(=O)NNC(=O)CCOC[C@H]1CCCO1 746001409 MAKZRQMBILINDK-SECBINFHSA-N 259.306 -0.126 50 20 CBGD CCC(=O)N1CCC[C@H](C(=O)NNC(=O)N(C)C)C1 746001951 ZHPBLVRIMQESEC-VIFPVBQESA-N 270.333 -0.063 50 20 CBGD CCOCCCNC(=S)NNC(=O)C(=O)NC(C)C 747756544 KZIHHHVYUJQCPH-UHFFFAOYSA-N 290.389 -0.567 50 20 CBGD COCC(C)=NNC(=O)CNC(=O)c1cccnc1 763196708 VYIPTBYMWSKCBN-UHFFFAOYSA-N 264.285 -0.050 50 20 CBGD CC1(OCC(=O)NNC(=O)C(=O)NC2CC2)CCC1 773262538 VDTZJDCKEBZDOO-UHFFFAOYSA-N 269.301 -0.628 50 20 CBGD COC(=O)c1ccccc1NNC(=O)CCNC(N)=O 780738390 UZQNAOHBRPYVLS-UHFFFAOYSA-N 280.284 -0.025 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N[C@@H]1C(=O)NCC[C@H]1C 799346944 VCYQSAOZEUWMKO-SCVCMEIPSA-N 298.387 -0.317 50 20 CBGD N#Cc1ncn(CC(=O)NNc2cccc(F)n2)n1 804769939 SMNKOTWLQVGVEZ-UHFFFAOYSA-N 261.220 -0.173 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)c1cccc(C#N)c1 806790518 IUAYOONHXLFQLM-LLVKDONJSA-N 286.291 -0.060 50 20 CBGD CCn1nc(C)c(C(=O)NNC(=O)NCC2CC2)n1 815115697 XFZHZAQLBKLDSA-UHFFFAOYSA-N 266.305 -0.040 50 20 CBGD CCCCC[C@@H](O)C(=O)NNC(=O)C(=O)NC(C)C 822232556 OXSSFWWLFONJOK-SECBINFHSA-N 273.333 -0.400 50 20 CBGD CN1CCN(C(=O)NNC(=O)CN(C)CC(C)(C)C)CC1 822765334 ZQIOVVMIBAUOMA-UHFFFAOYSA-N 299.419 -0.048 50 20 CBGD CCCN1CC[C@H](NC(=O)NNC(=O)COCC)C1 823049032 KUJAASCUFKUAFE-JTQLQIEISA-N 272.349 -0.162 50 20 CBGD CCCN1CC[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1 823053509 AQKSYSIDZYUSRB-SNVBAGLBSA-N 297.359 -0.920 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccc2c(c1)C(=O)NCCO2 823384155 CYOPHHPQYMEDFZ-SECBINFHSA-N 293.323 -0.234 50 20 CBGD CC(C)(CN1CCOCC1)C(=O)NNC(=O)c1cn[nH]c1 824857564 UGSFPGXGENBHOQ-UHFFFAOYSA-N 295.343 -0.471 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H](C)N(C)C 826923493 QOSOINMVYXNVLA-GUBZILKMSA-N 272.349 -0.308 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c[nH]1 843970100 BIJOIAOEXIKFDH-IONNQARKSA-N 295.295 -0.013 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2CCO[C@H]2CN)n1 852841560 MHNMXRPCBNUXND-BDAKNGLRSA-N 281.316 -0.399 50 20 CBGD C=CCNC(=S)NNC(=O)Cn1nccc1C 858126108 SVTTWSKUAIFDFV-UHFFFAOYSA-N 253.331 -0.127 50 20 CBGD CO[C@H](C)CCNC(=O)NNC(=O)c1cn[nH]c1 858194516 DMDOFCIWYYDCIQ-SSDOTTSWSA-N 255.278 -0.221 50 20 CBGD C=CCCOCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858324194 UOPGTQXFOZERNI-VIFPVBQESA-N 284.316 -0.812 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc3c(c2)CCO3)N1 862452435 WDHFEDKMUGJSCB-JTQLQIEISA-N 289.291 -0.339 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CC(F)(F)C1 863877621 BIGPUUJSBKGFCV-UHFFFAOYSA-N 258.992 -0.403 50 20 CBGD CN(C(=O)c1ccc(B(O)O)cc1)[C@H]1CCCCNC1=O 865118863 NVPHFKAMPIEEDK-LBPRGKRZSA-N 290.128 -0.893 50 20 CBGD COc1nn(C)cc1C(=O)NNC(=O)c1cc(C)[nH]n1 883965421 DBVJTVWVPUXTMU-UHFFFAOYSA-N 278.272 -0.465 50 20 CBGD CC(C)CC(=O)NCCC(=O)NN(C)C[C@@H](C)O 910162579 HQILLZWQXNSCCC-SNVBAGLBSA-N 259.350 -0.117 50 20 CBGD CCNC(=O)CNC(=O)NNC(=O)c1ccccc1F 915916152 LUORACNEEAYNAL-UHFFFAOYSA-N 282.275 -0.094 50 20 CBGD CC(=O)NNS(=O)(=O)c1cccc(C(=O)NC2CC2)c1 917718335 UAHBNGHCVGFVAS-UHFFFAOYSA-N 297.336 -0.092 50 20 CBGD Cn1cccc1C(=O)C(=O)NNC(=O)Cc1ccncc1 1261217365 INKHSCKDYWFWHJ-UHFFFAOYSA-N 286.291 -0.007 50 20 CBGD O=C(NNc1cccc(F)n1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 1261742419 UNLNIOWRYDREBZ-SOCHQFKDSA-N 283.259 -0.923 50 20 CBGD CCCCNC(=O)NNC(=O)c1cn(C)c(=O)nc1O 1320102576 HOYQDPRTZXFPSL-UHFFFAOYSA-N 283.288 -0.770 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNc2nccn(C)c2=O)CO1 1320577693 OTAJCLYVQRZCJL-SFYZADRCSA-N 252.274 -0.352 50 20 CBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cc(F)ccc1C 1320600369 VGKSSMDXRXKIQF-UHFFFAOYSA-N 297.242 -0.607 50 20 CBGD COC(=O)N(C)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1322628784 YJJZQMRLGUICQW-KHPPLWFESA-N 296.283 -0.368 50 20 CBGD O=C(NCC(=O)N1CCCC1)NNc1ncncc1F 1324217727 SXKJEASIMADQKS-UHFFFAOYSA-N 282.279 -0.136 50 20 CBGD CCc1ncncc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329077811 ISJFFDCGVPBILW-VIFPVBQESA-N 277.284 -0.921 50 20 CBGD O=C(NC[C@H]1CCCO1)NNC(=O)c1cn[nH]c1 1329744793 DNVVBOPRIQBWCU-MRVPVSSYSA-N 253.262 -0.467 50 20 CBGD CCn1nncc1C(=O)NNC(=O)Cc1cccnc1 1330351003 QNFNQYODCPIKPK-UHFFFAOYSA-N 274.284 -0.303 50 20 CBGD Cc1ncc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 1332650496 RWQRGRFTDSHQAP-MRVPVSSYSA-N 297.340 -0.439 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCc2nncn2C1 1333347664 QCLXDWHZJJKHBS-RKDXNWHRSA-N 253.306 -0.816 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1c(C)noc1C 1338707339 IPLKEOLFLMIJHD-UHFFFAOYSA-N 283.288 -0.078 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCC(=O)NC1 1342860763 LWKWVENRLUBZFO-YUMQZZPRSA-N 285.300 -0.998 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CCN2)n2cccc21 1580843617 KOCDXMLKMCYWDC-WCBMZHEXSA-N 276.296 -0.485 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C2 1588795470 AFKARXPWOVOFIX-UVPNAGLESA-N 284.312 -0.204 50 20 CBGD CN1CCC[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1591189673 RHKZCSVTCVQWOR-SECBINFHSA-N 288.315 -0.201 50 20 CBGD O=C(O)CCCNC(=O)NNC(=O)C1CCOCC1 1595050241 LBZPMBGCZMCSPE-UHFFFAOYSA-N 273.289 -0.392 50 20 CBGD O=C(O)CN1CCC[C@@H](C(=O)NN=c2cc[nH]cc2)C1=O 1595081583 BRGCGWZWSWDXJA-JTQLQIEISA-N 292.295 -0.730 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(C(=O)O)n1C 1596471158 UODSQJLQCLBZDV-UHFFFAOYSA-N 254.246 -0.313 50 20 CBGD O=C(NCCCC1CCOCC1)NNC(=O)C(=O)O 1601495732 MXMQPGGRBFYENB-UHFFFAOYSA-N 273.289 -0.392 50 20 CBGD O=C(O)c1ccc(NNC(=O)[C@@H]2CCCNC2=O)nc1 1602384902 MBXAEIQISIEOSP-MRVPVSSYSA-N 278.268 -0.251 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1608129852 WXLUCRWROGUCLK-BDAKNGLRSA-N 281.268 -0.582 50 20 CBGD O=C(O)c1ccccc1NNC(=O)C1(O)COC1 1608948438 ZYRXXUHOQVDZOS-UHFFFAOYSA-N 252.226 -0.411 50 20 CBGD N#CC(C#N)=C(N)/C(C#N)=C/c1cn(CC(=O)O)nn1 1776117851 KGXYYTRNMBSSJP-LREOWRDNSA-N 269.224 -0.470 50 20 CBGD N[C@H]1CCN(CC(=O)NNC(=O)c2cccs2)C1 50243696 MRDUXZPAAPYYFB-QMMMGPOBSA-N 268.342 -0.458 50 20 CBGD O=C(NNC(=O)c1cccc(Cl)n1)c1c[nH]nn1 104649368 QUXGSMZKTZNTGN-UHFFFAOYSA-N 266.648 -0.072 50 20 CBGD CN1C[C@@H](C(=O)NNC(=O)Cc2ccccc2F)CC1=O 108974077 NUQVEEXVIXAZBT-JTQLQIEISA-N 293.298 -0.006 50 20 CBGD CC[C@H](C)OCC(=O)NNc1ccc(C(N)=O)nn1 269804930 ANYMPFHOXRUGOT-ZETCQYMHSA-N 267.289 -0.166 50 20 CBGD Cc1cc(C)cc(OCC(=O)NNC(=O)CO)c1 273481364 LCXBSUQWPFNMGC-UHFFFAOYSA-N 252.270 -0.178 50 20 CBGD COc1cc(C(=O)NNC(=O)C2CCC2)nn1C 274811755 UATYXLBNMDREAP-UHFFFAOYSA-N 252.274 -0.010 50 20 CBGD CC[C@H](CNC(=O)NNC(=O)C(=O)N1CCCC1)OC 291490513 OQEJUNMWVXVJQZ-SECBINFHSA-N 286.332 -0.636 50 20 CBGD Cn1cc(CCCNC(=O)NNC(=O)[C@@H]2CCCO2)cn1 291947071 UEFWDXDEVIBWII-NSHDSACASA-N 295.343 -0.138 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)c2cccs2)C[C@H]1O 387899637 JTYZQTJARCRXNQ-RKDXNWHRSA-N 283.353 -0.178 50 20 CBGD C[C@H]1CN(C)CCN1C(=O)c1cc(B(O)O)ccc1F 584942523 SHPZSGJEXISERG-VIFPVBQESA-N 280.108 -0.718 50 20 CBGD O=C(NC[C@H]1CCC[C@H]1O)c1ccc(B(O)O)c(F)c1 584955954 SEIMFCQCWLOTDL-BXKDBHETSA-N 281.092 -0.604 50 20 CBGD C=CCCOCCNC(=O)c1cccc(B(O)O)c1 584966998 ONCRKFXKGDOTRL-UHFFFAOYSA-N 263.102 -0.311 50 20 CBGD C[C@@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)[C@@H]1CO 584970213 MSUUAEUDOVEIPG-NOZJJQNGSA-N 295.119 -0.262 50 20 CBGD C[C@@H]1CSC[C@@H]1NC(=O)c1ccc(B(O)O)cc1 584988750 SXQZFADLQVIKHT-KCJUWKMLSA-N 265.143 -0.152 50 20 CBGD C[C@@H]1CSC[C@@H]1NC(=O)c1cc(B(O)O)ccc1F 584988787 UHKGDBXLPJHDLY-HQJQHLMTSA-N 283.133 -0.013 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCc3ncnn3C2)c(F)c1 585021665 NADTWCMQZYFROJ-NSHDSACASA-N 290.107 -0.798 50 20 CBGD CNC(=O)[C@H]1CCC[C@@H]1NCc1ccccc1B(O)O 585032690 YPBVEZWLSKHGQA-AAEUAGOBSA-N 276.145 -0.629 50 20 CBGD CC1CCN(CC(=O)N2CC[C@@H](B(O)O)C2)CC1 585064408 FYVQBRJMCSGNCQ-LLVKDONJSA-N 254.139 -0.206 50 20 CBGD O=C(O)[C@@H](C(=O)N1CC[C@H](B(O)O)C1)C1CCCC1 585068178 YESLAFVJCPBUAP-VHSXEESVSA-N 269.106 -0.047 50 20 CBGD COc1ccc2c(=O)c(C(=O)NCB(O)O)c[nH]c2c1 585072037 GPJZPUDPGXLPTO-UHFFFAOYSA-N 276.057 -0.722 50 20 CBGD CCS(=O)(=O)CCNC(=O)NNc1ncccn1 727943283 HRFRAOARGLEBSA-UHFFFAOYSA-N 273.318 -0.463 50 20 CBGD CN(C)S(=O)(=O)NNC(=O)c1ccccc1O 740705783 MNPCUAGRBUKTTQ-UHFFFAOYSA-N 259.287 -0.567 50 20 CBGD CCC(CC)NC(=O)C(=O)NN=C(C)CS(C)(=O)=O 740762737 FNCQOSBFWZBXST-UHFFFAOYSA-N 291.373 -0.172 50 20 CBGD O=C(NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)NC1CC1 747760134 ABYSFOXLJHLVLS-OYNCUSHFSA-N 296.396 -0.051 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1[C@H]2CC[C@H]1CC(=O)NC2 748828723 MIASBEYTZQSLKN-UWVGGRQHSA-N 296.371 -0.467 50 20 CBGD NC(=O)[C@@H](Cc1ccccc1)NNC(=O)c1cnccn1 758144114 QZPIMGOKCPUZCT-LLVKDONJSA-N 285.307 -0.192 50 20 CBGD O=C(NNC(=O)[C@@H]1CCSC1)C(=O)NC1CC1 761836806 RTTBMJXWBUPHME-ZCFIWIBFSA-N 257.315 -0.835 50 20 CBGD CC(C)(C)C(=O)NNS(=O)(=O)N1CCOCC1 765053376 KDZQCIWBLRDTQL-UHFFFAOYSA-N 265.335 -0.770 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnn(C)c1 771913341 UYLYSJXRGRHACT-SSDOTTSWSA-N 268.273 -0.477 50 20 CBGD O=C(Cn1cnnn1)NNc1cc(Cl)ccn1 778453897 SVMWJFUKRINLSC-UHFFFAOYSA-N 253.653 -0.135 50 20 CBGD CCNC(=O)N(C)NC(=O)CCc1nc(N(C)C)no1 779835251 LZYXOXYEBKHKQP-UHFFFAOYSA-N 284.320 -0.239 50 20 CBGD CC(C)S(=O)(=O)CC(=O)NN=c1cc[nH]cc1 780761064 MJNUCBLKVVQNKY-UHFFFAOYSA-N 257.315 -0.230 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 787951060 ZQYRLDVCEAEARP-JTQLQIEISA-N 297.355 -0.447 50 20 CBGD CS(=O)(=O)CCNC(=O)NNc1nc2ccccn2n1 790283698 RTVSQMPHDJARMZ-UHFFFAOYSA-N 298.328 -0.600 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CCN(CC(F)(F)F)C1 792657552 HACGYKLTNMLCFN-ZCFIWIBFSA-N 269.223 -0.990 50 20 CBGD CON=CC(=O)NNc1ccc(C(=O)OC)cn1 809737160 DHIRJWGMXNJVIC-UHFFFAOYSA-N 252.230 -0.057 50 20 CBGD Cc1nccc(CCC(=O)NNC(=O)C(C)(C)O)n1 816360497 VYHIIVUZTPOZQH-UHFFFAOYSA-N 266.301 -0.364 50 20 CBGD Cc1cc(C)nc(NNC(=O)C2=NN3CCCN=C3N2)n1 818044466 QRFOMVGJRQPOEY-UHFFFAOYSA-N 288.315 -0.485 50 20 CBGD CCN(CCO)NC(=O)CNC(=O)c1cccc(F)c1 823834264 ZCFGOSLMAIHUGS-UHFFFAOYSA-N 283.303 -0.099 50 20 CBGD CC1=C(C(=O)NN(C)[C@H](C)CO)[C@@H](C)n2ncnc2N1C 823934274 FERAIIYXFLZYGQ-PSASIEDQSA-N 294.359 -0.093 50 20 CBGD COc1ccc(NNC(=O)C[C@@H]2CC(=O)N2)nc1 832646706 SXAPSQDNACSQFN-ZETCQYMHSA-N 250.258 -0.188 50 20 CBGD CC(C)N(C)CC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843971597 CTNVVFOCFRQHHO-UWVGGRQHSA-N 257.334 -0.101 50 20 CBGD O=C(NNC(=S)NCC1CC1)N1CCOCC1 849255831 FSCRKTIGEJOGAH-UHFFFAOYSA-N 258.347 -0.183 50 20 CBGD C[C@H](O)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C 855831805 HWRUITPYHABFCP-QMMMGPOBSA-N 273.333 -0.543 50 20 CBGD O=C1C[C@@H](C(=O)NNC(=O)c2cccc(F)n2)CCN1 856422967 IZPQKBYIGFEDCF-ZETCQYMHSA-N 280.259 -0.492 50 20 CBGD Nc1nc(Cl)ccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862462203 VILXKPAASCZZRT-ZCFIWIBFSA-N 297.702 -0.643 50 20 CBGD CCN1CCN(CCC(=O)NNC(=O)c2cn[nH]c2)CC1 862472418 ZHRDALUXWUZDBX-UHFFFAOYSA-N 294.359 -0.802 50 20 CBGD C[C@H]1CC/C(=C\C(=O)NNC(=O)CS(C)(=O)=O)C1 863462214 LLOGDRHFTVUKRJ-CYXIBPNKSA-N 274.342 -0.075 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1C[C@@]12CCOC2 869908106 XAIITPFCKIVLGT-BXKDBHETSA-N 272.301 -0.777 50 20 CBGD CC(=O)N1C[C@H]2CN(S(=O)(=O)CCl)C[C@H]2C1 882633813 CHZSOMWHVZFAKV-DTORHVGOSA-N 266.750 -0.077 50 20 CBGD OB(O)c1ccccc1CNCC1CC2(C1)OCCO2 896909175 QAZBXBNNHLDJKA-UHFFFAOYSA-N 277.129 -0.391 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 910174113 QIZPDNLXJPVDCS-WDEREUQCSA-N 295.339 -0.028 50 20 CBGD NC(=O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 917358620 FSFOIQOLWRKSDA-UHFFFAOYSA-N 265.313 -0.165 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Cc1ccccc1 1116593587 WTOKICBDUYBORH-VIFPVBQESA-N 299.352 -0.686 50 20 CBGD N#C/C(=C/c1cn(CC(=O)O)nn1)S(=O)(=O)NC1CC1 1116725835 BLGKKWHYJFZCQR-OQFOIZHKSA-N 297.296 -0.691 50 20 CBGD O=C(NNC(=O)C1CC1)C(=O)Nc1cncc(F)c1 1116921479 BRNITCFKAUPJMV-UHFFFAOYSA-N 266.232 -0.283 50 20 CBGD COC(=O)c1cc(C(=O)N2CC[C@@H](B(O)O)C2)ccn1 1118914601 CKZGRJHVAQBVDC-SECBINFHSA-N 278.073 -0.443 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(NC(N)=O)CC1 1253399588 ZEBZTSZHIDPQLX-MRVPVSSYSA-N 285.348 -0.935 50 20 CBGD C=CCNC(=S)NNC(=O)Cn1cc([C@@H](C)O)nn1 1321626426 YYUCZAYSNJQROH-SSDOTTSWSA-N 284.345 -0.987 50 20 CBGD O=C(NN=Cc1cnc2cnccn12)C(=O)NC1CC1 1322237501 WZFNVFYEVZTMJO-UHFFFAOYSA-N 272.268 -0.542 50 20 CBGD O=C(CCc1cnc[nH]1)NNC(=O)C(=O)N1CCCC1 1324984234 BRJUHGHVGSMPQW-UHFFFAOYSA-N 279.300 -0.888 50 20 CBGD CN(C)c1nccc(NNC(=O)c2cnnn2C)n1 1325130533 UNFXVTJMFNLWDD-UHFFFAOYSA-N 262.277 -0.572 50 20 CBGD C=C[C@H](COC)NC(=O)NNC(=O)c1cnn(C)c1 1325616508 WAZDGUJXIPELBS-SECBINFHSA-N 267.289 -0.435 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCCSC1 1327686449 CUAGHICXMZNXGS-LURJTMIESA-N 261.303 -0.615 50 20 CBGD CC(C)(C)C(=O)NNC(=O)c1cnn(C[C@@H](O)CO)c1 1328120250 AUMVWPDZJHWNEQ-SECBINFHSA-N 284.316 -0.957 50 20 CBGD CNC(=S)N(C)NC(=O)c1cn(C)nc1COC 1328746120 SONSBZMZQDCYQI-UHFFFAOYSA-N 271.346 -0.353 50 20 CBGD C=CCn1cc(C(=O)N2CC[C@@H](B(O)O)C2)nn1 1331825865 DSQNRKAPUJQLJN-MRVPVSSYSA-N 250.067 -0.847 50 20 CBGD COC[C@H](C)CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1331907179 MNRNDBBJMLZOKR-BDAKNGLRSA-N 292.357 -0.759 50 20 CBGD COC[C@H](OC)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1334820685 JRCABWNQUKUZJZ-ZJUUUORDSA-N 294.373 -0.860 50 20 CBGD CCOC(=O)NNC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 1338358033 DRDNLXYWRMSJOW-QMMMGPOBSA-N 290.341 -0.021 50 20 CBGD Cc1noc(C)c1CCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1349543417 RFUPVCQHTVIVEW-JTQLQIEISA-N 294.311 -0.350 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(CCC#N)CC1 1349658845 QCKGURLJFJETBU-NSHDSACASA-N 281.360 -0.536 50 20 CBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)C(C)(C)C 1520792798 CRXHCJYUCACZHA-NXEZZACHSA-N 268.361 -0.432 50 20 CBGD CC(C)C1(C(=O)NNC(=O)[C@H]2CCCNC2)COC1 1575475117 KKYGQZYRWAPMPW-JTQLQIEISA-N 269.345 -0.194 50 20 CBGD Cc1nnc(NNC(=O)NC[C@@H]2CCCNC2)n1C 1579912601 GPBKKTPPFMCBCJ-SECBINFHSA-N 267.337 -0.251 50 20 CBGD Cn1nncc1NNC(=O)[C@@H]1NCCc2occc21 1580028632 WQBDHFBHBPSJNR-SNVBAGLBSA-N 262.273 -0.262 50 20 CBGD CC[C@@H](C(=O)O)N(C)CC(=O)NNC(=O)C(C)C 1589440629 BCPJGUKPUSBISJ-QMMMGPOBSA-N 259.306 -0.415 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C(=O)O)c(Cl)c1 1600441648 KMUOKOHITIPRCJ-UHFFFAOYSA-N 299.670 -0.181 50 20 CBGD O=C(CN1CCCC1=O)NN=Cc1cc(C(=O)O)no1 1601312031 BJZZVDUXSMOVPW-UHFFFAOYSA-N 280.240 -0.555 50 20 CBGD O=C(O)CC(=O)NNC(=O)c1ccc2c(c1)OCCO2 1608664333 PYHOXRZXCAAOJL-UHFFFAOYSA-N 280.236 -0.307 50 20 CBGD CNC(=O)NNC(=O)c1cc(F)cc([N+](=O)[O-])c1N 48949176 BNDYJJAAULUMMQ-UHFFFAOYSA-N 271.208 -0.110 50 20 CBGD C[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)NC1CC1 49144512 RVVYPHPOQDKLER-ZETCQYMHSA-N 280.284 -0.109 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2n[nH]c3c2CCC3)cn1 117820179 PANSDYDTTDIBKE-UHFFFAOYSA-N 274.284 -0.293 50 20 CBGD CCc1cc(C(=O)NNC(=O)N2CCOCC2)[nH]n1 194897447 FIEGKMIBDYZHFY-UHFFFAOYSA-N 267.289 -0.341 50 20 CBGD CC(=O)NNS(=O)(=O)c1cccc2c1OCCO2 274758490 QIPUNIMHPQVCGP-UHFFFAOYSA-N 272.282 -0.213 50 20 CBGD CN1C[C@@H](C(=O)NNc2nc3ccccn3n2)CC1=O 276693332 GCCBMFVFRYSZPE-QMMMGPOBSA-N 274.284 -0.349 50 20 CBGD Cc1cccnc1NNC(=O)[C@H]1CC[C@H](C(N)=O)O1 281885485 PAYXFALTJNCBBR-RKDXNWHRSA-N 264.285 -0.134 50 20 CBGD C[C@H](CC(N)=O)C(=O)NNC(=O)c1ccccn1 282859030 HHARFMXEMVHJOD-SSDOTTSWSA-N 250.258 -0.646 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cc(C3CC3)[nH]n2)CC1 282860789 HMPBBXQWOIAGGH-UHFFFAOYSA-N 292.343 -0.111 50 20 CBGD COC(=O)C[C@H](C)C(=O)NNC(=O)[C@H]1CCCCO1 295628698 SGNMHBUVYNTZKK-DTWKUNHWSA-N 272.301 -0.098 50 20 CBGD CCNC(=O)NC1(C(=O)NNC(=O)N(C)C)CCCC1 299400074 VHECOIYXYFFSAX-UHFFFAOYSA-N 285.348 -0.079 50 20 CBGD CS[C@@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 299557082 MLCXZGXZDILLLH-ZETCQYMHSA-N 259.331 -0.492 50 20 CBGD O=C(CCN1CCOC1=O)NNC(=O)Cc1ccncc1 493158333 QWRGKMXOASJNTL-UHFFFAOYSA-N 292.295 -0.386 50 20 CBGD COC(=O)NNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 495366648 GOGQPQCQTMFJQE-ZCFIWIBFSA-N 281.334 -0.663 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1C[C@@H]1c1nc[nH]n1 584913631 HNJPDDBSENBAQP-VHSXEESVSA-N 272.073 -0.773 50 20 CBGD C[C@@](O)(CNC(=O)c1ccc(B(O)O)c(F)c1)C1CC1 584953494 DIGFMLZABTTXFK-CYBMUJFWSA-N 281.092 -0.604 50 20 CBGD C[C@H]1[C@@H](C)N(C)CCN1C(=O)c1ccc(B(O)O)cc1 584970952 WCOFCADNIQMUAF-MNOVXSKESA-N 276.145 -0.469 50 20 CBGD CN(C)C1(CNC(=O)c2ccc(B(O)O)cc2)CCC1 584979176 MPOIVLVGCGFZSP-UHFFFAOYSA-N 276.145 -0.420 50 20 CBGD O=C(N[C@H](CO)C1CCCC1)c1cccc(B(O)O)c1 584991017 RGOMAAPLEKUTBN-CYBMUJFWSA-N 277.129 -0.353 50 20 CBGD CCC(=O)N1CC[C@@H](NCc2ccccc2B(O)O)C1 585031377 UFDGZAKOWVLJGM-GFCCVEGCSA-N 276.145 -0.533 50 20 CBGD C[C@@H]1COCC[C@@H]1CNCc1ccc(B(O)O)o1 585040519 MFPUPUAELAQDEC-NXEZZACHSA-N 253.107 -0.278 50 20 CBGD CN(CC(=O)NNC(=O)NCC1CC1)C(=O)C1CC1 733139372 NVVPALZXWFWCHA-UHFFFAOYSA-N 268.317 -0.405 50 20 CBGD CCS(=O)(=O)CC(C)=NNC(=O)C(=O)NC(C)C 733744604 NMWBDDBAPXQPDL-UHFFFAOYSA-N 277.346 -0.562 50 20 CBGD O=C(CN1CCO[C@@H](C(F)(F)F)C1)NNC(=O)C1CC1 739923730 XDEAAKAHCXNUHK-MRVPVSSYSA-N 295.261 -0.193 50 20 CBGD C[C@H](CCN(C)C)NC(=O)NNC(=O)C(=O)N1CCCC1 748460452 IRYBEOYBWZMORB-SNVBAGLBSA-N 299.375 -0.721 50 20 CBGD C[C@@H]1CN(C)CC1=NNC(=O)Cc1cc(O)nc(O)n1 752164801 CJAXEGSKIRIWNC-SSDOTTSWSA-N 279.300 -0.516 50 20 CBGD N#Cc1ccc(NNC(=O)[C@H](CO)NC(N)=O)cc1Cl 753303627 NDHQCSIGNLJERQ-VIFPVBQESA-N 297.702 -0.316 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](C)C1CC1 758045024 BACYNIAXHFETJX-RNFRBKRXSA-N 277.346 -0.882 50 20 CBGD CC[C@@](C)(CC(=O)OC)NCC(=O)NNC(=O)C1CC1 760904385 CMEBSAPDQMMHKE-ZDUSSCGKSA-N 285.344 -0.135 50 20 CBGD CN(N=C1CCN(CCN2CCOCC2)CC1)C(N)=O 767903523 FNWUCRMYYPRNFZ-UHFFFAOYSA-N 283.376 -0.219 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCS1(=O)=O)C1CCC1 772947974 JABPSGRQHNLDFM-SECBINFHSA-N 274.342 -0.099 50 20 CBGD COCCCOCC(=O)NNC(=O)Cc1ccncc1 775768044 KWFJECBRABVVJE-UHFFFAOYSA-N 281.312 -0.175 50 20 CBGD CN1CCN(CC(=O)NNc2cc(Cl)ccn2)CC1=O 780998809 NAGNSBFZDMCOTP-UHFFFAOYSA-N 297.746 -0.048 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccnn2CC(F)F)cn1 789954948 BPQQNTZTEUJAEV-UHFFFAOYSA-N 298.253 -0.044 50 20 CBGD CSSCCNC(=O)NCCN1CCNC(=O)C1 790880019 WMPDLTDAESVYLV-UHFFFAOYSA-N 292.430 -0.271 50 20 CBGD CC[C@@H](CNC(=O)NNC(=O)C(=O)NC1CC1)OC 812590352 XSOSUYWQANPGKA-QMMMGPOBSA-N 272.305 -0.980 50 20 CBGD CN(C)CC(=O)NN=Cc1cnc(N(C)C)nc1 814832097 DYSFIRTUCLEUCF-UHFFFAOYSA-N 250.306 -0.446 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(O)nc1 843641174 RZGZCPPGCNSUTD-IONNQARKSA-N 265.269 -0.027 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1=NN(C)C(=O)CC1 843647257 YCYLSWHOCWHEAP-SFYZADRCSA-N 282.300 -0.833 50 20 CBGD Cc1ccnc(NNC(=O)[C@H]2CCS(=O)(=O)N2)c1 846640371 XVPISFJSPIINLF-MRVPVSSYSA-N 270.314 -0.475 50 20 CBGD O=C(O)C1(NS(=O)(=O)CCl)CCOCC1 853024460 JTPWXGDLARGDAO-UHFFFAOYSA-N 257.695 -0.264 50 20 CBGD CN(C)CCNC(=S)NNC(=O)c1cccc(F)n1 853052394 SBZUTIHGQNMVJA-UHFFFAOYSA-N 285.348 -0.109 50 20 CBGD Cn1nc(C2CC2)nc1CC(=O)NNC(=O)c1cc[nH]n1 855355195 RDIHWTDMPFJUOZ-UHFFFAOYSA-N 289.299 -0.581 50 20 CBGD C[C@H](N)CCNC(=O)NNC(=O)CNC(=O)c1ccco1 857115051 GMTQQGFATGETHP-QMMMGPOBSA-N 297.315 -0.923 50 20 CBGD CC[C@@H](C)N(C)CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858195086 QZMJROHGILXHKI-NXEZZACHSA-N 299.375 -0.674 50 20 CBGD CC(=O)c1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)n(C)c1 862452518 XWFDRMJWOGGIFS-SECBINFHSA-N 292.295 -0.733 50 20 CBGD CC(C)(C)CC(=O)NCC(=O)NNC(=O)c1cn[nH]c1 862474862 RHXHTELJYQVDBH-UHFFFAOYSA-N 281.316 -0.277 50 20 CBGD Cc1csc(C(=O)NNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)c1 862480910 OJVSMFZFEQPIBY-SFYZADRCSA-N 297.336 -0.150 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@@H](C)N(C)C 873834064 JFQGYYLLCQOEHJ-SECBINFHSA-N 276.406 -0.190 50 20 CBGD Cc1ccc2ncc(C(=O)NN(C)C[C@@H](C)O)c(=O)n2c1 910174024 PPTCWQPMHMQYTF-SNVBAGLBSA-N 290.323 -0.040 50 20 CBGD COCCOc1ncccc1C(=O)NNC(C)=O 920429966 JEZBWODBOZFFTC-UHFFFAOYSA-N 253.258 -0.112 50 20 CBGD COc1cccc(C)c1NC(=O)C(=O)NNC(=O)CCO 1116819980 UFEXQIDMWCFPSS-UHFFFAOYSA-N 295.295 -0.528 50 20 CBGD O=C(NNS(=O)(=O)c1cn[nH]c1)c1cccc(F)n1 1118511774 VTHPYUTUJKPSOG-UHFFFAOYSA-N 285.260 -0.433 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(NC(N)=O)CC1 1253399589 ZEBZTSZHIDPQLX-QMMMGPOBSA-N 285.348 -0.935 50 20 CBGD Cc1[nH]ccc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1318954859 UBMSRYMLQRPOGS-QMMMGPOBSA-N 285.325 -0.481 50 20 CBGD CN(NC(=O)c1ccc2c(c1)OCC(=O)N2)C(N)=O 1319842394 LYCLOGBHSNUGDX-UHFFFAOYSA-N 264.241 -0.327 50 20 CBGD O=C(NN=Cc1ccc(CO)o1)[C@H]1CCS(=O)(=O)C1 1323086291 XBGLLLPJEFRREK-QMMMGPOBSA-N 286.309 -0.343 50 20 CBGD CC1(NC(=S)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1323266180 BUSIUMQPJVYBPW-SSDOTTSWSA-N 291.398 -0.531 50 20 CBGD Nc1cnnc(NNC(=O)[C@@H]2COCCO2)c1Cl 1324009860 ZQNAOCOUTWMESN-LURJTMIESA-N 273.680 -0.429 50 20 CBGD O=C(CCN1CCOC1=O)NNc1cccnn1 1325254533 KCAGBVRGSMMPDT-UHFFFAOYSA-N 251.246 -0.238 50 20 CBGD CN(C)C(=O)NNC(=O)c1cnn(-c2ccccn2)c1N 1326259599 SEPSFTDNNIPUPG-UHFFFAOYSA-N 289.299 -0.235 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@H]2NC(=O)O[C@@H]2C)cc1 1331434723 QTDPTQJVMRFYMB-XCBNKYQSSA-N 293.279 -0.047 50 20 CBGD O=C(NCCOCC(F)F)NNC(=O)c1cn[nH]c1 1331535383 YPMOCFWYYJMWII-UHFFFAOYSA-N 277.231 -0.365 50 20 CBGD C[C@H]1COCCCN1C(=O)NNC(=O)c1cccnn1 1336947727 MLENWDAVAYIFTP-VIFPVBQESA-N 279.300 -0.058 50 20 CBGD Cc1cnc(NC(=O)C(=O)NNC(=O)C2CC2)s1 1338569655 BDUDLNXLLJAFQW-UHFFFAOYSA-N 268.298 -0.053 50 20 CBGD CCNC(=O)N(C)NC(=O)c1c[nH]c(C)cc1=O 1342693049 SYBLRBWSODRTFS-UHFFFAOYSA-N 252.274 -0.011 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCCCCCO)N1 1351343818 QOQIORTUIYVWBH-VIFPVBQESA-N 286.332 -0.852 50 20 CBGD O=C(NCC1=CCNCC1)NNC(=O)c1cnsn1 1580640964 XNEHBFUTYXDXCJ-UHFFFAOYSA-N 282.329 -0.598 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)C(=O)O 1589056307 NHGSNHHUDPSLJH-UYXSQOIJSA-N 285.300 -0.395 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNc1nc2ccccn2n1 1593911400 KLOBXWPVSGWTNG-ZETCQYMHSA-N 265.229 -0.728 50 20 CBGD O=C(O)c1ccc(C(=O)NNC(=O)c2cc[nH]n2)nc1 1595220969 SQMXKTDFRGRJPN-UHFFFAOYSA-N 275.224 -0.422 50 20 CBGD Cc1ncc(CCNC(=O)NNC(=O)C(=O)O)s1 1600736587 GNCKYMBWDYGQLW-UHFFFAOYSA-N 272.286 -0.591 50 20 CBGD CC(C)CC(=O)NNC(=O)Cn1ccc(C(=O)O)n1 1603761980 UAHRPVQPRBQKJP-UHFFFAOYSA-N 268.273 -0.225 50 20 CBGD COCCNC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1605106205 OPHMKCSXUZJBDH-UHFFFAOYSA-N 278.276 -0.466 50 20 CBGD O=C(O)CNC(=O)NN=Cc1ccccc1-n1cncn1 1608754439 FBVAZYZKHPHDPA-UHFFFAOYSA-N 288.267 -0.015 50 20 CBGD O=C(CNC(=O)c1ccco1)NN[C@H](C(=O)O)C1CC1 1610665204 FTESLYASTFWUDW-JTQLQIEISA-N 281.268 -0.507 50 20 CBGD CCOC(=O)/C(C#N)=C\N[C@@H]1CCS(=O)(=O)C1 27164279 RBBYMGGTGRHNGS-JGAIRUGNSA-N 258.299 -0.266 50 20 CBGD CNC(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C 48949964 YUDFTXSMRCVSSM-LURJTMIESA-N 260.294 -0.140 50 20 CBGD CNC(=O)NNC(=O)Cn1c(=O)oc2ccccc21 56371275 UECDLGLAHSLPMF-UHFFFAOYSA-N 264.241 -0.445 50 20 CBGD NNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 205387639 HKZCTGLTIWIBCC-UHFFFAOYSA-N 285.325 -0.689 50 20 CBGD NC(=O)CSCC(=O)NNC(=O)Cc1ccccc1F 265438508 VEIKVBKDISEJBD-UHFFFAOYSA-N 299.327 -0.266 50 20 CBGD CC(=O)Nc1ccc(O)c(C(=O)NNC(=O)C(C)(C)O)c1 277977656 OANYPJASGVTNJR-UHFFFAOYSA-N 295.295 -0.118 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 285772477 AIDYTOLWVYXMSE-SECBINFHSA-N 286.332 -0.874 50 20 CBGD CC1(C)CC[C@H]1NC(=O)NNC(=O)C(=O)NC1CC1 287925078 DCMDMYZXUUOOCK-MRVPVSSYSA-N 268.317 -0.216 50 20 CBGD CO/N=C/C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 289455905 XSYBUWYZBWBULF-RCUFAFNJSA-N 286.332 -0.735 50 20 CBGD CNC(=O)CCCC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 294050349 ZAYFJMJJKIMEAE-IUCAKERBSA-N 271.317 -0.382 50 20 CBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)c1ccccn1 496187906 HTPLINKCPAZPNK-SVRRBLITSA-N 264.241 -0.661 50 20 CBGD COC[C@@]1(C(=O)Nc2cccc(B(O)O)c2)CCOC1 584912613 SOEWPTPKFJCKQD-ZDUSSCGKSA-N 279.101 -0.642 50 20 CBGD C[C@H]1CN(C)CC[C@H]1NC(=O)c1cccc(B(O)O)c1 584937926 RJDIQTPEGUIIHN-GXFFZTMASA-N 276.145 -0.564 50 20 CBGD CC(C)N1CCCN(C(=O)c2ccc(B(O)O)cc2)CC1 584940495 UVUMTAUAQLEJKL-UHFFFAOYSA-N 290.172 -0.077 50 20 CBGD O=C(NCC1(O)CCCC1)c1ccc(B(O)O)cc1 584945050 FPFMMNHPQIVBAJ-UHFFFAOYSA-N 263.102 -0.599 50 20 CBGD Cc1nnc(CN(C)C(=O)c2ccc(B(O)O)cc2)n1C 584946499 TYRLEXGVLLAJJN-UHFFFAOYSA-N 288.116 -0.924 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)[C@@H](C)CN1C 584969319 LEWNQCJSVHYKMQ-QWRGUYRKSA-N 276.145 -0.469 50 20 CBGD C[C@H]1COCC[C@H]1CNC(=O)c1ccc(B(O)O)cc1 584988798 FAXZOTMEPSPBEB-JQWIXIFHSA-N 277.129 -0.231 50 20 CBGD CC[C@@H]1OCC[C@H]1NC(=O)c1cc(B(O)O)ccc1F 584997493 DGGHVMFBWZUZCI-NEPJUHHUSA-N 281.092 -0.197 50 20 CBGD OC[C@H](CNCc1cccc(B(O)O)c1)[C@@H]1CCOC1 585039284 PVIALUJPASWYMU-OLZOCXBDSA-N 279.145 -0.899 50 20 CBGD O=C(NCB(O)O)c1noc(-c2cccc(F)c2)n1 585060207 NZVBKRCCKQZHAM-UHFFFAOYSA-N 265.009 -0.383 50 20 CBGD COc1ccnc(C(=O)NNC(=O)C(=O)N2CCCC2)c1 734814257 IVJFSMCWLLRWRP-UHFFFAOYSA-N 292.295 -0.526 50 20 CBGD C[C@H]1COCCN1CCNC(=O)NNc1cccnn1 737050031 VACGBWIUUDICTH-JTQLQIEISA-N 280.332 -0.177 50 20 CBGD CCNC(=O)NNC(=O)[C@@H](NC(=O)COC)C(C)C 741213121 ZVNHKUHHEGTDSR-VIFPVBQESA-N 274.321 -0.876 50 20 CBGD CCN(CC)[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 744423210 FQPYCPYYVVARNW-GFCCVEGCSA-N 282.388 -0.040 50 20 CBGD COCC(=O)NNC(=O)Nc1ccc(OCC(N)=O)cc1 755798887 LBFDJZSBVLFURH-UHFFFAOYSA-N 296.283 -0.650 50 20 CBGD COC(=O)CCN(C)S(=O)(=O)N1CC=C(C#N)CC1 759080926 AUOUVSJCSSCHNW-UHFFFAOYSA-N 287.341 -0.118 50 20 CBGD COc1nccnc1NNC(=O)c1cnn(C)c1N 764469691 MBRDKSIGDQHVAN-UHFFFAOYSA-N 263.261 -0.442 50 20 CBGD CCn1nc(C=NNC(=O)C(N)=O)c2ccccc21 769762260 HALJQCHZVYCUII-UHFFFAOYSA-N 259.269 -0.008 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)N1CCCC1 770718560 DAQDEJXREQIKAD-IUCAKERBSA-N 269.301 -0.819 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](O)C1CC1 772099357 VPVSAEMWXFLQTQ-IMTBSYHQSA-N 258.274 -0.754 50 20 CBGD CN1CCN(C(=O)NNC(=O)C[C@H]2CCCO2)CC1 773673877 QNMVXEUMTJBGBB-SNVBAGLBSA-N 270.333 -0.456 50 20 CBGD O=C(NN=c1cc[nH]cc1)c1ccc2nnnn2c1 781021163 LWENZIJXSHTXAE-UHFFFAOYSA-N 255.241 -0.302 50 20 CBGD Cn1nccc1COCC(=O)NNC(=O)C1CCC1 786139122 GSYZIQXRYBWXHY-UHFFFAOYSA-N 266.301 -0.116 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H](NC(N)=O)C(C)(C)C 800328836 VKYLALYVHVBFRL-ZCFIWIBFSA-N 259.310 -0.628 50 20 CBGD CC(=O)N[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)C(C)C 807383154 MLFKKBWMYSSAMV-LLVKDONJSA-N 299.375 -0.865 50 20 CBGD COc1cnc(C(=O)NNC(=O)Cc2ccncc2)nc1 815746621 ORNCWBLJCMOLDQ-UHFFFAOYSA-N 287.279 -0.116 50 20 CBGD O=C(CN1CCCNC1=O)NNc1ncncc1F 817078462 FTXFXSWOZDQTBY-UHFFFAOYSA-N 268.252 -0.526 50 20 CBGD CN(CC(Cl)Cl)C(=O)[C@H](CO)NC(N)=O 819843896 WNGRTHWHQLRUKU-BYPYZUCNSA-N 258.105 -0.722 50 20 CBGD O=C(NCc1ccco1)NNC(=O)[C@@H](O)C1CC1 823793346 MRPORWWYLAFUKE-VIFPVBQESA-N 253.258 -0.119 50 20 CBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1cccnc1 826445165 JKDBLHBNIRNFMV-UHFFFAOYSA-N 298.266 -0.335 50 20 CBGD Cc1cccc(C(=O)NNC(=O)C2(n3cnnn3)CC2)n1 834811841 DVFLDBYQRRLKSZ-UHFFFAOYSA-N 287.283 -0.673 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CSCC#N 843646079 OTRVTINMNVUKED-YUMQZZPRSA-N 257.315 -0.184 50 20 CBGD O=C(NCCN1CCCC1=O)NNC(=O)[C@@H]1CCCCO1 845487141 TXPOFKQGDUWTAX-JTQLQIEISA-N 298.343 -0.492 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)n[nH]1 846383490 DAUBXNKQWKXKEH-OUAUKWLOSA-N 278.312 -0.024 50 20 CBGD COC(=O)N(C)NC(=O)[C@H](C)n1cnc2c(N)ncnc21 854408842 AVJIKCOMIVSQGV-LURJTMIESA-N 293.287 -0.301 50 20 CBGD CC(C)(C(=O)NNC(=O)c1cc[nH]n1)N1CCOCC1 855356675 PXQGPVJAHRPESS-UHFFFAOYSA-N 281.316 -0.719 50 20 CBGD Cc1csc(=O)n1CCC(=O)NNC(=O)c1cc[nH]n1 855362806 VJUHJTAIQHEMJR-UHFFFAOYSA-N 295.324 -0.207 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)c2cccc(Cl)n2)C1=O 857323799 ZEBSZQGBSKFVFN-ZETCQYMHSA-N 296.714 -0.026 50 20 CBGD C=CCNC(=S)NNC(=O)CN(C)C(=O)C=C 858125615 IITYTWFQPCDRBI-UHFFFAOYSA-N 256.331 -0.688 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H]2CCCC[C@H]2F)N1 858540875 CZMLRIFDTUAXLV-HLTSFMKQSA-N 286.307 -0.124 50 20 CBGD C[C@H]1COCCCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 858697500 UBOMRZYDAXLANK-DTWKUNHWSA-N 284.316 -0.883 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CN2CC(=O)N(C)C2=O)o1 859954154 FBGHWQOMRQBEIR-UHFFFAOYSA-N 294.267 -0.757 50 20 CBGD Cc1cc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)sn1 860727937 LNUSLDUEGMETPD-ZCFIWIBFSA-N 283.313 -0.117 50 20 CBGD O=C(CCc1ccc(O)cc1)NNC(=O)[C@H]1CCC(=O)N1 862460144 CZXGSYFJVSCLBH-LLVKDONJSA-N 291.307 -0.249 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CCN1C1CCCC1 862468666 LDDRPRGXALIWJT-GFCCVEGCSA-N 299.371 -0.186 50 20 CBGD CC(C)(C)OC(=O)CNC(=O)c1cccc(B(O)O)c1 863873071 VQCKGVMXWWONMM-UHFFFAOYSA-N 279.101 -0.562 50 20 CBGD COCCOCC(=O)NNC(=O)C1(O)CCCCC1 869910528 UIWVJGDDXDATHR-UHFFFAOYSA-N 274.317 -0.508 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnn(CC2CC2)c1 878681324 NDAVASACUWQVMR-UHFFFAOYSA-N 265.317 -0.384 50 20 CBGD C[C@@H]1COCC1=NNC(=O)[C@@H]1CCS(=O)(=O)C1 884408704 PGXQHYIJHJCMTO-HTQZYQBOSA-N 260.315 -0.440 50 20 CBGD CO[C@H](C(=O)O)C(=O)N1C[C@H]2[C@H](Br)[C@H]2C1 902741431 REGXUKZSVQSGCD-WNJXEPBRSA-N 278.102 -0.062 50 20 CBGD C[C@]1(C(=O)NC(CO)CO)C[C@H]1Br 907181735 IVORQZUBQIVNES-SVRRBLITSA-N 252.108 -0.371 50 20 CBGD Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 913173112 JHZKWBLMEQJHGU-JTQLQIEISA-N 297.336 -0.417 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)C12CCCN1CCC2 1119599353 GPYOSQJKJXDABP-UHFFFAOYSA-N 294.355 -0.615 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@@H](C)c1nnnn1C 1120795724 BKQNAMZKDLSGDB-VQKCLUMFSA-N 250.262 -0.169 50 20 CBGD CC(=O)N[C@@](C)(C(=O)NN)c1ccc(S(C)(=O)=O)cc1 1261494853 HTPRUGCRPIEMMQ-GFCCVEGCSA-N 299.352 -0.569 50 20 CBGD CC[C@@](C)(C#N)C(=O)NNC(=O)CS(C)(=O)=O 1261835477 WYNAJLMJBSKBQB-VIFPVBQESA-N 261.303 -0.882 50 20 CBGD O=C(NC[C@@H]1CCOC1)NNC(=O)c1ccc[nH]1 1317870790 FHWMOKDRYAMPEG-QMMMGPOBSA-N 252.274 -0.005 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCCC[C@H]1N(C)C 1318877046 ONJQIDLCAJOWGT-RKDXNWHRSA-N 286.332 -0.637 50 20 CBGD COC(=O)C(=O)NNC(=O)NC1CCN(CC2CC2)CC1 1318940750 BTKODTPMAAPLAH-UHFFFAOYSA-N 298.343 -0.636 50 20 CBGD Cn1cnc(C(=O)NNc2ncnc3[nH]cnc23)c1 1319760159 JLKLWQGARJMGPI-UHFFFAOYSA-N 258.245 -0.157 50 20 CBGD NC(=O)c1cc(C(=O)NNC(=O)NC2CC2)co1 1320158650 MVAGURFOQIVTAB-UHFFFAOYSA-N 252.230 -0.515 50 20 CBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccon1 1320357372 OSVMJRFJIXRTMY-LURJTMIESA-N 254.246 -0.193 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](C)c1ccc[nH]1 1323085131 OZEYJTWUIRMZGW-ZCFIWIBFSA-N 254.246 -0.421 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C(C)C)c(O)n1 1323941322 PGYZZEDFLRZWGX-UHFFFAOYSA-N 280.284 -0.162 50 20 CBGD Cc1nnc(NNC(=O)CN2CCCCC2=O)nc1O 1324255978 RPTNZYOBFDAQCD-UHFFFAOYSA-N 280.288 -0.659 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)Cc1cncs1 1326061507 QCOXKQDZBPPIIC-UHFFFAOYSA-N 265.298 -0.201 50 20 CBGD O=C(NNC(=S)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1327065599 HRAJHCJKICVVHG-MRVPVSSYSA-N 291.398 -0.674 50 20 CBGD COC(=O)NCCCC(=O)NNc1nnc(C)c(O)n1 1338712215 URHLPQKXDWHTIY-UHFFFAOYSA-N 284.276 -0.535 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCC(=O)NC1 1342860759 LWKWVENRLUBZFO-SFYZADRCSA-N 285.300 -0.998 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1346763213 KVJLXSDHBWDFCX-LPEHRKFASA-N 271.317 -0.223 50 20 CBGD CC(C)CC(=O)NNC(=O)NC[C@@H](C)N1CCN(C)CC1 1349878205 AYGMGFAKNKXFQA-GFCCVEGCSA-N 299.419 -0.001 50 20 CBGD CO[C@@H]1CN[C@](C)(C(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)C1 1573960962 OMIWWAWOHUAPHC-UKRLYRRISA-N 297.355 -0.532 50 20 CBGD COc1ccc(CNS(C)(=O)=O)cc1NC(=O)NN 1579218108 SUMRPEXDQOAZCN-UHFFFAOYSA-N 288.329 -0.260 50 20 CBGD Cc1cnc(F)c(C(=O)NNC(=O)[C@@H]2CCN2)c1 1579822188 MPBHXXDBFXVVIS-QMMMGPOBSA-N 252.249 -0.348 50 20 CBGD Cc1ncc(CC(=O)NNC(=O)C2CCNCC2)o1 1579876184 UMUNNYUCNNDECX-UHFFFAOYSA-N 266.301 -0.327 50 20 CBGD O=C(NNC(=O)[C@H]1CCN1)[C@@H](O)C1CCCCC1 1580733508 WVEWHXUIVAPQDI-ZJUUUORDSA-N 255.318 -0.563 50 20 CBGD CC(C)[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)O 1588957991 LXKHVOZTCVKCJQ-JTQLQIEISA-N 265.074 -0.795 50 20 CBGD CCCNC(=O)NNC(=O)c1cc(C(=O)O)nn1C 1589677587 UALGGRSMMLDKIE-UHFFFAOYSA-N 269.261 -0.528 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)CC1 1593780908 IODOTKGTYKBTAF-VHSXEESVSA-N 298.343 -0.525 50 20 CBGD Cn1ccnc(NNC(=O)[C@@H](C(=O)O)C2CC2)c1=O 1594551524 IRWLXJUCDZTMET-ZETCQYMHSA-N 266.257 -0.666 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@H]2C[C@H]2C(=O)O)n[nH]1 1600187059 JUVDUVUWKXCSQD-JGVFFNPUSA-N 266.257 -0.871 50 20 CBGD Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)CO)c1 182747999 LKXOORNABNAAQU-UHFFFAOYSA-N 253.214 -0.343 50 20 CBGD CNCC(=O)NNc1nc2ccccc2c(=O)n1C 237249923 LFIREENALLBXLU-UHFFFAOYSA-N 261.285 -0.404 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2CN(C)CCO2)n1 266133721 KMFLJIZOITVMSI-QMMMGPOBSA-N 267.289 -0.741 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2CCC(=O)N2)n1 266902162 HLZDDSUYCBPOSC-SSDOTTSWSA-N 265.273 -0.485 50 20 CBGD COC(=O)N1CC(NC(=O)NNC(=O)CC(C)C)C1 269288735 OVFDAIXYGWCYOX-UHFFFAOYSA-N 272.305 -0.187 50 20 CBGD CCNC(=O)N(C)NC(=O)CSc1nnnn1C1CC1 272664844 IPHXNCSRZHQWJL-UHFFFAOYSA-N 299.360 -0.207 50 20 CBGD CO[C@H](C(=O)NNC(=O)CNC(=O)c1ccco1)C1CC1 279317832 NVFGBPRTTFQDHY-NSHDSACASA-N 295.295 -0.418 50 20 CBGD CCOC(=O)/C(C#N)=C/NC[C@@H](OC)C(=O)OC 292096153 OLCKFEVSKUQDFZ-BNICOGTQSA-N 256.258 -0.265 50 20 CBGD CCN1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)C1 584933357 FPVWHRZJPYNFPA-LLVKDONJSA-N 276.145 -0.562 50 20 CBGD CCc1noc(CN(C)C(=O)c2ccc(B(O)O)cc2)n1 584938768 BNIFSOPNMRKNMO-UHFFFAOYSA-N 289.100 -0.416 50 20 CBGD CN(C)[C@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584943767 NEUBBGSTMUQGSK-JTQLQIEISA-N 280.108 -0.718 50 20 CBGD CC[C@@H](C)[C@@](C)(O)CNC(=O)c1cccc(B(O)O)c1 584951715 LGUPGCXZKDDNCV-YGRLFVJLSA-N 279.145 -0.107 50 20 CBGD CN(C[C@@H](O)C(F)(F)F)C(=O)c1cccc(B(O)O)c1 584970449 OSCWOPKDNXGROT-SECBINFHSA-N 291.034 -0.638 50 20 CBGD C[C@@H](O)[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 584971065 KJMDTWCZNOKWIA-MFKMUULPSA-N 277.129 -0.258 50 20 CBGD CC1(C)CN(C(=O)c2ccc(B(O)O)c(F)c2)CC[C@@H]1O 584979203 NGOSMFJNNWMBSF-LBPRGKRZSA-N 295.119 -0.262 50 20 CBGD O=C(N[C@@H]1CC[C@H](F)C1)c1ccc(B(O)O)cc1 584989650 HRQLYUQMBUIXIL-WDEREUQCSA-N 251.066 -0.013 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCCOC2)c(F)c1 585038162 VACPDRKENXSDJK-NSHDSACASA-N 253.082 -0.226 50 20 CBGD C[C@H](NCc1ccc(B(O)O)o1)c1csnn1 585046092 MLHXDOOKLWUCGS-LURJTMIESA-N 253.092 -0.338 50 20 CBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cnn[nH]2)C[C@@H](C)O1 732260193 PLLWHYKUMJBIOE-RKDXNWHRSA-N 296.331 -0.935 50 20 CBGD O=C(O)Nc1cccc(C(=O)NNC(=O)c2cnn[nH]2)c1 740033212 HJLDNMMNMRWRCX-UHFFFAOYSA-N 290.239 -0.031 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)C(=O)N1CCCC1 748152089 QLSABIGWRAATAU-UHFFFAOYSA-N 272.374 -0.097 50 20 CBGD COCCO[C@H](C)C(=O)NN=Cc1c(N)ncnc1OC 748254334 ZHIYYCBSHMARPY-MRVPVSSYSA-N 297.315 -0.431 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCOC[C@@H](C)C1 754386383 ZGXRMZULPZTMMB-UWVGGRQHSA-N 257.334 -0.099 50 20 CBGD CNc1nnc(CC(=O)NNC(=O)C(C)(C)O)s1 768248356 WCWCNKMZPUQFAG-UHFFFAOYSA-N 273.318 -0.959 50 20 CBGD NC(=O)C1=NO[C@@H](CNS(=O)(=O)CCCCCl)C1 784729646 XOZCQHRSIDCZQM-SSDOTTSWSA-N 297.764 -0.445 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 787951062 ZQYRLDVCEAEARP-SNVBAGLBSA-N 297.355 -0.447 50 20 CBGD CCc1ncncc1C(=O)NNC(=O)N1CCN(C)CC1 807381943 PWTHHCVZOVGYEK-UHFFFAOYSA-N 292.343 -0.359 50 20 CBGD COCCN(C)NC(=O)[C@@H]1CCCCS1(=O)=O 808073782 QNUSDPBYDFLYEZ-VIFPVBQESA-N 264.347 -0.437 50 20 CBGD CC[C@H](CNC(=O)NNC(=O)c1cnn(C)c1)OC 811969350 WYNFLNKMKBRCHZ-SECBINFHSA-N 269.305 -0.211 50 20 CBGD O=C(NNC(=O)C1CCCC1)c1cnn(C[C@@H](O)CO)c1 821754534 HYFXHNSUXCANEA-LLVKDONJSA-N 296.327 -0.813 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cccc(C(N)=O)c1 823977252 RQUYWQBTJAEEGT-QMMMGPOBSA-N 251.286 -0.257 50 20 CBGD COc1cccc(NC(=O)NNC(=O)CN(C)C)n1 824161581 SBZFWYSDKRQNKN-UHFFFAOYSA-N 267.289 -0.196 50 20 CBGD CC(=O)NCCCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 825589900 GGGGHXKLXNLWNT-WCBMZHEXSA-N 286.332 -0.732 50 20 CBGD CO[C@@H]1COC[C@@H]1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C 826963005 JAOLEWPYPKEEOL-AATLWQCWSA-N 287.316 -0.844 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1C[C@]12CCOC2 843656965 NWPDGBXAXQBSAU-YVNDNENWSA-N 268.313 -0.015 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCN(C)C1 843970918 MWXZJEJIPLAEIA-IVZWLZJFSA-N 255.318 -0.490 50 20 CBGD O=C1NCC[C@H]1C(=O)NNC(=S)NCC1CCC1 855092591 KPXDCXHCDVCJAF-MRVPVSSYSA-N 270.358 -0.582 50 20 CBGD CCO[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)C1CC1 858167407 BCXNHSZJPHIRCX-SECBINFHSA-N 271.317 -0.527 50 20 CBGD Cc1cc(=NNC(=O)CN2CCCS2(=O)=O)cc[nH]1 862510697 QHIAMNPEOVXEAF-UHFFFAOYSA-N 284.341 -0.709 50 20 CBGD CC(C)(C)n1cc(C=NNC(=O)[C@H]2CCC(=O)N2)nn1 863153177 OKOITJHRDZMHCO-SECBINFHSA-N 278.316 -0.238 50 20 CBGD Cc1csc(C=NNC(=O)CS(C)(=O)=O)n1 863187490 NCPOBOPCAGXZSJ-UHFFFAOYSA-N 261.328 -0.054 50 20 CBGD CC(C)OC(=O)[C@H](C)N(C)C(=O)c1cccc(B(O)O)c1 863876347 WCRAOAUCWZJWEV-JTQLQIEISA-N 293.128 -0.222 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cn(C(C)(C)C)nn1 910151797 GHKMKITVUWHBSX-MRVPVSSYSA-N 255.322 -0.010 50 20 CBGD CON(C)CCNC(=O)/C(C#N)=C\c1cnn(C)c1 912161493 CEBWRALURUMUKS-WDZFZDKYSA-N 263.301 -0.064 50 20 CBGD O=C(Cn1ccccc1=O)NNC(=O)c1cc[nH]n1 918690190 PZRVRABSLCKUBF-UHFFFAOYSA-N 261.241 -0.967 50 20 CBGD O=C(NCCc1ccccn1)NNC(=O)[C@@H]1CCOC1 921208213 JQRZIXOEWQYJRG-SNVBAGLBSA-N 278.312 -0.009 50 20 CBGD Cc1nc(C)c(CC(=O)NNC(=O)N(C)C)c(O)n1 1115910817 WIIYWZMPKLNPRC-UHFFFAOYSA-N 267.289 -0.356 50 20 CBGD O=C(CCCc1ccccn1)NNC(=O)C(=O)NC1CC1 1115993417 BUJJWQKDZUJARL-UHFFFAOYSA-N 290.323 -0.170 50 20 CBGD O=C(Cc1ccc(F)cn1)NNC(=O)[C@H]1CCC(=O)N1 1119255073 PXWHICXGKLYIQM-SECBINFHSA-N 280.259 -0.811 50 20 CBGD CCOC(=O)COc1ccc(C=NNC(=O)C(N)=O)cc1 1318955052 VVXYDRHGXRUYFC-UHFFFAOYSA-N 293.279 -0.436 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H](C)n1cncn1 1319893521 WGSMNLBAMAJSNU-ZETCQYMHSA-N 256.335 -0.257 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCCN1C(N)=O 1320289575 IKPHZRBLGQEAMP-ZETCQYMHSA-N 257.294 -0.778 50 20 CBGD COCc1ccc(NC(=O)C(=O)NNC(=O)CCO)cc1 1322103012 DBQGIMKPZXXIGW-UHFFFAOYSA-N 295.295 -0.699 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)c1cnccn1 1322563915 BUTGAODCDHACEV-UHFFFAOYSA-N 263.179 -0.017 50 20 CBGD Nc1cnnc(NNC(=O)C(=O)NCC2CC2)c1Cl 1324453257 VGUAKIOTCKOLEL-UHFFFAOYSA-N 284.707 -0.319 50 20 CBGD N#Cc1ncn(CCNC(=O)NNc2cccnn2)n1 1324546891 IQJPWYPROPEUTB-UHFFFAOYSA-N 273.260 -0.734 50 20 CBGD CNC(=S)N(C)NC(=O)c1cccc(=O)n1C 1328341970 XEPLOBMPHGGBSQ-UHFFFAOYSA-N 254.315 -0.534 50 20 CBGD Cn1nncc1NNC(=O)C[C@@H]1CCCC(=O)N1 1328569699 DOSFDTHZAIVOKD-ZETCQYMHSA-N 252.278 -0.683 50 20 CBGD CCc1nnsc1C(=O)N1CC[C@@H](B(O)O)C1 1331825416 AZBAEQRQTAKFSK-ZCFIWIBFSA-N 255.108 -0.211 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cnc(CC(C)C)nc1 1339564023 JCQOZEWXJXLFHK-UHFFFAOYSA-N 279.300 -0.219 50 20 CBGD C[C@H](CN)NC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br 1347977435 GAKCSTACIGQABP-MATHAZKKSA-N 292.177 -0.261 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cnnc(O)c2)n1 1351127096 AVDDQNYIJHBSOT-UHFFFAOYSA-N 290.283 -0.543 50 20 CBGD COc1ccnc(NNC(=O)[C@]2(C)C[C@H](N)CCO2)n1 1579316897 BEMAMDSJLIFNNH-PELKAZGASA-N 281.316 -0.175 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)[C@H]2OCC[C@H]2N)cc1 1579727724 YLSONDDRXPPULD-YPMHNXCESA-N 293.323 -0.363 50 20 CBGD NC[C@@H]1C[C@@H]1C(=O)NNC(=O)COc1ccc(F)cc1 1580323932 SZDCUQXJRSIVMH-KWQFWETISA-N 281.287 -0.053 50 20 CBGD O=C(O)c1ccc(C(=O)NNC(=O)N2CCOCC2)nc1 1595220802 GIIDXIGLQTXTBB-UHFFFAOYSA-N 294.267 -0.534 50 20 CBGD CO[C@](C)(CNC(=O)NNC(=O)C(=O)O)C1CC1 1599035639 BSTIUXYMYBODAD-SNVBAGLBSA-N 259.262 -0.784 50 20 CBGD N#CC1=CCN(C(=O)CN2CCC[C@@H](C(=O)O)C2=O)CC1 1601058258 KOALJJXYGJJMRQ-LLVKDONJSA-N 291.307 -0.008 50 20 CBGD O=C(NCc1cccc2c1CCOC2)NNC(=O)C(=O)O 1601543660 JGQKRIIJRIAUEH-UHFFFAOYSA-N 293.279 -0.326 50 20 CBGD O=C(O)[C@H]1C[C@H]2CC[C@H]1N2C(=O)c1cccc(B(O)O)c1 1601790713 QTRXDVJKJAUBLR-GRYCIOLGSA-N 289.096 -0.556 50 20 CBGD O=C(O)c1ccc(C(=O)NNC(=O)N2CCOCC2)[nH]1 1602323700 SUXWVVOBAMGYMS-UHFFFAOYSA-N 282.256 -0.601 50 20 CBGD CN(C)CC(=O)NNC(=O)CCc1ocnc1C(=O)O 1606017945 QFKKWOHBSFEKFV-UHFFFAOYSA-N 284.272 -0.986 50 20 CBGD COC(=O)N(C)NC(=O)Cn1cc(C(=O)O)cn1 1606488269 VRTUMTOVHVSPKG-UHFFFAOYSA-N 256.218 -0.689 50 20 CBGD CC(C)NC(=S)NNC(=O)c1ccc(-c2nn[nH]n2)o1 1609100352 GWCKDZBPOHNWEP-UHFFFAOYSA-N 295.328 -0.023 50 20 CBGD O=C(O)CSCCC(=O)NNC(=O)N=c1cc[nH]cc1 1610789931 LTSKBHJHUHKBFD-UHFFFAOYSA-N 298.324 -0.136 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](O)c1ccccc1 266785347 DIGDPVODKQKZAS-JTQLQIEISA-N 279.296 -0.608 50 20 CBGD COc1cc(C)nc(NNC(=O)N[C@@H]2CC(=O)N(C)C2)n1 267513075 QUHIMODLGPSSGB-MRVPVSSYSA-N 294.315 -0.350 50 20 CBGD COC(=O)NNS(=O)(=O)c1cc(C(=O)OC)co1 269989331 FYMNDVPJWTVDLY-UHFFFAOYSA-N 278.242 -0.385 50 20 CBGD C=CCNC(=S)NNC(=O)CCC(=O)NCCC 281312698 SEXDXMKVXXMFLR-UHFFFAOYSA-N 272.374 -0.026 50 20 CBGD C[C@@]12CCC(=O)N1[C@H](C(=O)NNC(=O)C1CC1)CS2 298077873 TYIFJGCAZHRZNM-QPUJVOFHSA-N 283.353 -0.002 50 20 CBGD COc1ccccc1NCC(=O)NNC(=O)CNC(C)=O 298102561 ZCTPASSWRPIFFJ-UHFFFAOYSA-N 294.311 -0.609 50 20 CBGD CNC(=O)NNC(=O)[C@H](C(C)C)N1CCCC1=O 299675239 QCSTYMKJTGJVAI-VIFPVBQESA-N 256.306 -0.406 50 20 CBGD C[C@H]1C[C@H](C(=O)Nc2cccc(B(O)O)c2)CC(=O)N1 584913721 IPXXPTCBAUOWGA-IUCAKERBSA-N 276.101 -0.780 50 20 CBGD CN1CCC[C@@H](CNC(=O)c2cc(B(O)O)ccc2F)C1 584944970 UHEOLTLTSVKVIW-JTQLQIEISA-N 294.135 -0.423 50 20 CBGD O=C(NCCCO[C@@H]1CCOC1)c1cccc(B(O)O)c1 584958216 MTGDTIADMFBKSW-CYBMUJFWSA-N 293.128 -0.708 50 20 CBGD CCO[C@@H]1C[C@@H](NCc2ccc(B(O)O)o2)[C@@]12CCCO2 585034931 NOQLPSFVWNWQLT-BZPMIXESSA-N 295.144 -0.224 50 20 CBGD CN(C)c1noc(CNCc2cccc(B(O)O)c2)n1 585036680 OIUCIMGPZFPTLV-UHFFFAOYSA-N 276.105 -0.895 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NN=Cc1ncc[nH]1 731151443 OYOUCWPMMSVQSC-SNVBAGLBSA-N 265.317 -0.172 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)c2c[nH]nc2C)CCC1 732084144 NXUQXZUWVJIKQP-UHFFFAOYSA-N 279.300 -0.605 50 20 CBGD COc1cc(C)nc(NNC(=O)CN2CCCNC2=O)n1 746625699 QAPCELMLFAWIMB-UHFFFAOYSA-N 294.315 -0.348 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H](C)CN1CCOCC1 757760553 QBJXUCRUBKGEJD-GFCCVEGCSA-N 281.356 -0.094 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)c1cncnc1 760568934 AYMUTFNAEZMPCY-UHFFFAOYSA-N 257.253 -0.125 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](N2CCCC2=O)C1 761114193 MADPLSXDHNRNDP-GHMZBOCLSA-N 296.371 -0.371 50 20 CBGD COc1ccnc(NNC(=O)NC[C@]2(OC)CCOC2)n1 764804503 LWENMPAFKVVLFE-GFCCVEGCSA-N 297.315 -0.083 50 20 CBGD O=C(NNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccncc1 769534452 IQXBIROVRQRGJV-UHFFFAOYSA-N 276.212 -0.212 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)N1CC[C@H](C)C1 782477915 CORWUXLOLHKDHM-QMMMGPOBSA-N 264.351 -0.261 50 20 CBGD COc1cc(F)ccc1NNC(=O)Cn1ncn(C)c1=O 788180608 BAUWLWQCMGHMKJ-UHFFFAOYSA-N 295.274 -0.127 50 20 CBGD Cc1cccnc1NNC(=O)NCCNS(C)(=O)=O 791013404 PDICAGZUIRPMLK-UHFFFAOYSA-N 287.345 -0.435 50 20 CBGD Cc1cc(OCC(=O)NNC(=O)CO)ccc1[N+](=O)[O-] 798114022 LZJPVTPECQTRID-UHFFFAOYSA-N 283.240 -0.578 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H]1CCCC(=O)N1 799581709 FFVZNYLKUVALDB-MRVPVSSYSA-N 256.306 -0.214 50 20 CBGD C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)C(=O)N1CCCC1 800327855 AFFZPUPEPOXKPO-IVZWLZJFSA-N 283.328 -0.430 50 20 CBGD C=CCCn1cc(C(=O)NNC(=O)c2cnn(C)c2)nn1 819296703 CUEMYBRYCNGMSY-UHFFFAOYSA-N 289.299 -0.338 50 20 CBGD O=C(C[C@@H]1CCC(=O)N1)NNC(=O)NC1CCCC1 824349281 LPOIDPJYNPLISP-VIFPVBQESA-N 268.317 -0.072 50 20 CBGD CON(C)CC(=O)NNC(=O)c1ccc(C#N)cc1 839460821 FGHHLMZCQJMEFW-UHFFFAOYSA-N 262.269 -0.188 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc(N(C)C)cn1 843977094 FSCYONRUKAUVKM-DTWKUNHWSA-N 293.327 -0.271 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCc3cncn3C2)cn1 844134335 JJHDWRAVJQCYHV-VIFPVBQESA-N 288.311 -0.360 50 20 CBGD N#Cc1ccc(NNC(=O)[C@@H]2CCS(=O)(=O)N2)cc1 845855084 UURCUBKJOZLMKG-JTQLQIEISA-N 280.309 -0.307 50 20 CBGD CN(NC(=O)c1nc(N)nc(N2CCOCC2)n1)C1CC1 846267722 BVKLQZXBJHLEHC-UHFFFAOYSA-N 293.331 -0.971 50 20 CBGD CC(C)C(=O)N[C@@H](CO)C(=O)NCCCSC#N 854360580 RXJZGPPGRNDXBN-VIFPVBQESA-N 273.358 -0.160 50 20 CBGD O=C(CC1CC1)NNC(=O)C1(n2cnnn2)CC1 854667602 NALQKGQQDREZOL-UHFFFAOYSA-N 250.262 -0.890 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@@]1(O)CCOC1)C1CC1 855094355 ARMFEGWPLJRPCA-WRWORJQWSA-N 273.358 -0.568 50 20 CBGD CNC(=O)C1(C(=O)NNC(=S)N[C@@H](C)C2CC2)CC1 855100827 JNBCDPVDYJUYOW-ZETCQYMHSA-N 284.385 -0.194 50 20 CBGD CC(=O)N[C@@H](CCC(C)C)C(=O)NNC(=O)CO 857171235 WLQLETBTIHSRKX-VIFPVBQESA-N 259.306 -0.933 50 20 CBGD C[C@H](NNC(=O)CN1CCCNC1=O)C(F)(F)F 862307995 VEHRSJQWMFJLJZ-LURJTMIESA-N 268.239 -0.027 50 20 CBGD CCC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cn[nH]c2)C1 862474534 OFTOKLJQIVACIG-SECBINFHSA-N 293.327 -0.181 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1cccc(C)n1 862521937 CMPKRUCZAMZMMT-UHFFFAOYSA-N 258.303 -0.618 50 20 CBGD CS(=O)(=O)CC(=O)NNCC(F)(F)C(F)(F)F 863094925 YPYURTZWCVPZDA-UHFFFAOYSA-N 284.206 -0.151 50 20 CBGD COCC1(C(=O)NNC(=O)CS(C)(=O)=O)CCCC1 863466172 RCRXHQONSQBEKJ-UHFFFAOYSA-N 292.357 -0.615 50 20 CBGD OB(O)c1ccccc1CNCCOCC(F)F 863891353 NJZTWAYJFNAGQA-UHFFFAOYSA-N 259.061 -0.262 50 20 CBGD O=C(Cn1cnnn1)NNC(=O)c1cccc([N+](=O)[O-])c1 866681574 CABKPOVRYZILEF-UHFFFAOYSA-N 291.227 -0.958 50 20 CBGD CSCCNC(=S)NNC(=O)[C@H]1CCCNC1=O 867162771 SVTIGHGBJMWLLJ-ZETCQYMHSA-N 290.414 -0.629 50 20 CBGD CC1(F)CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 868801452 ZWZRQQGYVLJEFV-MRVPVSSYSA-N 286.307 -0.170 50 20 CBGD C[C@@H](C(=O)NNC(=O)CO)n1ccc(C(F)(F)F)n1 879395324 HBZMJZPPGCANJG-YFKPBYRVSA-N 280.206 -0.397 50 20 CBGD CC(=O)N(CC(=O)NNC(=O)CO)c1ccccc1 879395865 ZNRPMTWYGXXLRC-UHFFFAOYSA-N 265.269 -0.821 50 20 CBGD Cc1cc(=NNC(=O)CN2CCCCS2(=O)=O)cc[nH]1 880825783 FLCFAKPRMOSUAV-UHFFFAOYSA-N 298.368 -0.319 50 20 CBGD Cn1nc(CNC(=O)c2cccc(B(O)O)c2)cc1C1CC1 885899646 YIGVNESPVTULQA-UHFFFAOYSA-N 299.139 -0.093 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@H]2[C@@H](O)CC[C@H]2C1 886575145 HIPFXFBPGWVVHF-YTWAJWBKSA-N 269.345 -0.365 50 20 CBGD CCN1CCCN(C(=O)c2ccc(B(O)O)cc2)[C@H](C)C1 910270179 NZFGVMYLDSRCOH-GFCCVEGCSA-N 290.172 -0.077 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)C1[C@H]2CCC[C@H]12 913731869 ZLVWKPHGHLZBLJ-IUCAKERBSA-N 265.313 -0.198 50 20 CBGD C[C@@]1(C(=O)NNC(=O)CN2CCCC2=O)CCCOC1 913732152 KDFXCUMREFFQCO-CYBMUJFWSA-N 283.328 -0.427 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NNC(=S)NC1CC1 916117784 MZHPVWQOJGGENE-SECBINFHSA-N 286.401 -0.388 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1ccon1 1116198105 ALJWCBQFJGADRE-MRVPVSSYSA-N 286.288 -0.444 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)C2)cn1 1118213155 DWONRGIUYVZYAQ-SSDOTTSWSA-N 250.258 -0.450 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1cnccc1OC 1321152526 UNTZGDRHWJHXGC-UHFFFAOYSA-N 296.283 -0.787 50 20 CBGD NC(=O)CNC(=S)NNC(=O)c1ccc(Cl)nc1 1321449328 GQIPZPUXUNVLAV-UHFFFAOYSA-N 287.732 -0.671 50 20 CBGD O=C(NN=C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1321467566 NSHONQLDXQWYLK-IUCAKERBSA-N 260.315 -0.440 50 20 CBGD COc1ccc(C(=O)NN(C)C(N)=O)cc1OCCO 1322554513 DIBQZZCIRPBTGZ-UHFFFAOYSA-N 283.284 -0.278 50 20 CBGD Cc1nnc2n1C[C@H](C(=O)NN(C)C[C@H](C)O)CC2 1332148240 KPZXSCGGALLDQY-WCBMZHEXSA-N 267.333 -0.507 50 20 CBGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2ccsc2)cn1 1337974728 POAVYZUIVHDLDD-UHFFFAOYSA-N 293.308 -0.119 50 20 CBGD NC(=O)c1ccccc1C=NNC(=O)C(=O)NC1CC1 1343495468 BHFHURQOHGLZFV-UHFFFAOYSA-N 274.280 -0.486 50 20 CBGD Cn1nncc1NNC(=O)[C@@H]1CCc2ncncc2C1 1347987685 GXZKQQRURBMVSC-MRVPVSSYSA-N 273.300 -0.147 50 20 CBGD CC#CC[C@H](N)C(=O)NNC(=O)c1cccc(C)n1 1574973575 WXTLMOPSXRTJAP-JTQLQIEISA-N 260.297 -0.108 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNc1ncccc1C(=O)O 1589881940 FFPSXTVSHOXNBU-JTQLQIEISA-N 294.311 -0.056 50 20 CBGD COCCN(C)NC(=O)c1ncc(-c2nn[nH]n2)cc1C 1591420527 KXDUZZLRFQHEOJ-UHFFFAOYSA-N 291.315 -0.207 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@]2(C(=O)O)CC2(C)C)nn1 1594530151 AOGZAKVZULNHNI-LLVKDONJSA-N 281.272 -0.923 50 20 CBGD CN(C)N(C(=O)[C@H]1C[C@H]1C(=O)O)[C@H]1CCS(=O)(=O)C1 1598257770 SESJYJLONPKEBA-XHNCKOQMSA-N 290.341 -0.801 50 20 CBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1cccc2[nH]ccc12 1601635229 CBQYQXSSWZNKNL-UHFFFAOYSA-N 290.235 -0.662 50 20 CBGD O=C(O)C[C@@H]1CC[C@H](NC(=O)c2ccc(B(O)O)cc2)C1 1602111527 QWKUNXNCTJDMJA-SKDRFNHKSA-N 291.112 -0.260 50 20 CBGD O=C(Cc1ccc(C(=O)O)cc1)NNC(=O)c1ncon1 1608359883 RYGZUKYYYOZXAZ-UHFFFAOYSA-N 290.235 -0.229 50 20 CBGD Cn1nc(C(=O)O)cc1C=NNC(=O)c1ncccn1 1776081576 VGQGACJZEBYIRD-UHFFFAOYSA-N 274.240 -0.328 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C(C)(C)C)C(=O)N(C)C 79482290 QQMITEWIQNGNEC-SSDOTTSWSA-N 258.322 -0.160 50 20 CBGD COCCCNC(=O)NNC(=O)CN(C)C(C)C 126861583 XCLGHURDOBEJLW-UHFFFAOYSA-N 260.338 -0.307 50 20 CBGD COCc1cc(C(=O)NNC(=O)c2cc(C)n[nH]2)no1 153369695 PCQPFJKDFNSUAB-UHFFFAOYSA-N 279.256 -0.073 50 20 CBGD COCCNC(=O)CNS(=O)(=O)CCCCl 161532080 ACCLUMFHYLQFGG-UHFFFAOYSA-N 272.754 -0.703 50 20 CBGD CNC(=O)NNC(=O)[C@@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 299264638 VRJOPGYAHBPJIZ-HLTSFMKQSA-N 296.327 -0.490 50 20 CBGD Cc1nn(C)cc1[C@H](C)NC(=O)c1cccc(B(O)O)c1 584940251 RXCVTWHDHPPCOS-VIFPVBQESA-N 287.128 -0.101 50 20 CBGD C[C@@](CO)(NC(=O)c1ccc(B(O)O)c(F)c1)C1CC1 584963608 VUWWYQYICVWQIC-ZDUSSCGKSA-N 281.092 -0.604 50 20 CBGD O=C(N[C@H](CO)CC(F)(F)F)c1ccc(B(O)O)cc1 584968284 ABHJCYCWBCSLQI-VIFPVBQESA-N 291.034 -0.591 50 20 CBGD OB(O)c1ccc(CNC[C@H]2CN3CCC[C@H]3CO2)cc1 585022072 IGSWSUSWQPHGCV-GJZGRUSLSA-N 290.172 -0.681 50 20 CBGD C[C@@H](CNCc1ccc(B(O)O)cc1F)[S@@](C)=O 585034433 KXMSRBQPURWIRV-DCXZOGHSSA-N 273.138 -0.638 50 20 CBGD CCO[C@H]1COCC[C@@H]1NCc1ccc(B(O)O)cc1 585034967 ODOXOUSQAFVVIC-KBPBESRZSA-N 279.145 -0.350 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cnn(C)c1 728433819 OXQXCQWEQZIKFG-QMMMGPOBSA-N 287.345 -0.802 50 20 CBGD COCCN(CCO)CC(=O)NNC(=O)C(C)(C)C 744404504 TVKQJFIVPPORCP-UHFFFAOYSA-N 275.349 -0.879 50 20 CBGD O=C(CCn1cccc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 746103237 ROWDGJSNSSAGSG-JTQLQIEISA-N 299.352 -0.540 50 20 CBGD CC[C@H](C)NC(=S)NNC(=O)C(=O)NC1CC1 749762277 IZUUSOPTRURUHL-LURJTMIESA-N 258.347 -0.441 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CCc1ccccc1 749801443 XVFKAQMPDUBSKW-UHFFFAOYSA-N 284.337 -0.189 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1cccc2nonc12 765071468 YYYITMUELMNEIE-UHFFFAOYSA-N 285.285 -0.313 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccn(C(F)F)n1 768258857 BAMBHMBJAWTDOS-UHFFFAOYSA-N 262.216 -0.190 50 20 CBGD CO[C@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C(C)C 769803850 ZRYXUSRDTIAHRC-IUCAKERBSA-N 292.357 -0.761 50 20 CBGD O=C(NCc1nnnn1CC1CC1)NNC(=O)C1CCC1 770497955 LARWBXUSHVGYMU-UHFFFAOYSA-N 293.331 -0.286 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)c1cccnc1 771601000 BOFUTSOMAWTJMY-SECBINFHSA-N 262.269 -0.537 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCCC(N)=O)n[nH]1 787477709 HZPKBEZOPZAVHK-UHFFFAOYSA-N 253.262 -0.865 50 20 CBGD CC(C)(C)[C@@H](Br)C(=O)N[C@@H](CO)C(N)=O 804355943 RSGZKIGFYPKHFB-WDSKDSINSA-N 281.150 -0.242 50 20 CBGD Cc1nn[nH]c1C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C 805547715 UJFNUGNLQUZOJS-MRVPVSSYSA-N 297.315 -0.148 50 20 CBGD Cc1cc(C)n(CC(=O)NN=Cc2cnn(C)n2)n1 814752717 AJEGGCJWLGHDTG-UHFFFAOYSA-N 261.289 -0.221 50 20 CBGD Cn1cc(-c2nn[nH]n2)cc1C(=O)NNc1cnccn1 822645856 SUXQQTRVRATYMH-UHFFFAOYSA-N 285.271 -0.248 50 20 CBGD CCN(CCO)NC(=O)[C@@H](c1cncn1C)N(C)C 823879432 MKSRAJHQMHGTJS-LLVKDONJSA-N 269.349 -0.632 50 20 CBGD Cc1occc1C(=O)NCC(=O)NN(C)[C@@H](C)CO 823934163 CXWGHXWDZAYCHR-QMMMGPOBSA-N 269.301 -0.338 50 20 CBGD CN1C(=O)CC[C@H]1CC(=O)NNC(=O)N1CCOCC1 824621763 WTWVSUHGEROWNM-VIFPVBQESA-N 284.316 -0.930 50 20 CBGD N[C@@H]1C[C@@H]1C(=O)NNc1nc(-c2cccnc2)no1 831890618 OEVBGIIINQPZLW-JGVFFNPUSA-N 260.257 -0.078 50 20 CBGD COCCN(CC#N)CC(=O)NNC(=O)c1ccccc1 839086402 XUEHMNPFCHUKNO-UHFFFAOYSA-N 290.323 -0.080 50 20 CBGD CON1CCN(CC(=O)NNC(=O)c2cccs2)CC1 846979813 IYDZSJUJYNXNEX-UHFFFAOYSA-N 298.368 -0.312 50 20 CBGD CN1CCN(C(=O)NNC(=O)C[C@@H]2CCCC[C@H]2O)CC1 854379381 ZOECMKKGVZZTNL-NWDGAFQWSA-N 298.387 -0.084 50 20 CBGD COc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)[nH]n1 861378800 AWZMLSIDGDGIOS-BQBZGAKWSA-N 283.288 -0.004 50 20 CBGD CC1(C)OCC(C)(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CO1 862457145 BNDQEVDFXCYYSW-MRVPVSSYSA-N 299.327 -0.798 50 20 CBGD CN(C)CCn1ccc(C(=O)NNC(=O)c2cn[nH]c2)n1 862469201 BMJHAHWQGNKIBI-UHFFFAOYSA-N 291.315 -0.757 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C[C@H]1CCCCO1 863462865 ZRJKEDMAYBYZJU-MRVPVSSYSA-N 278.330 -0.862 50 20 CBGD COCOCCCNC(=O)c1cccc(B(O)O)c1 863883665 IVIDITAKSBTBRY-UHFFFAOYSA-N 267.090 -0.893 50 20 CBGD CN(C)C1(C(=O)NNc2ccccc2S(N)(=O)=O)CC1 863909366 AFUZNQUXXYCLNK-UHFFFAOYSA-N 298.368 -0.129 50 20 CBGD CC[C@]1(C(=O)NNC(=O)c2cccn2C)CCNC1=O 864593709 HEGFCRHQHOLTFM-ZDUSSCGKSA-N 278.312 -0.298 50 20 CBGD COCCOCC(=O)NNC(=O)c1cccc2c1OCO2 869908907 BFUCPDNDBJECFY-UHFFFAOYSA-N 296.279 -0.161 50 20 CBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)C1CCOCC1 883062978 YOPLJYMMHXCRNN-DTWKUNHWSA-N 270.285 -0.631 50 20 CBGD C#CCCCC(=O)NNC(=O)CCN1CCOC1=O 887141582 AJZUNQYECKPQHK-UHFFFAOYSA-N 267.285 -0.220 50 20 CBGD C[C@H](O)CN(C)NC(=O)Cc1nc(C2CC2)nn1C 910147485 RQYXEYDUZARQDR-QMMMGPOBSA-N 267.333 -0.421 50 20 CBGD COC(=O)c1c[nH]nc1S(=O)(=O)NNC(=O)C(C)C 912522425 SMNFHBVZDMWRGS-UHFFFAOYSA-N 290.301 -0.838 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H](O)C1CCCCC1 913732003 DRRWKJBAUUBHLS-ZDUSSCGKSA-N 297.355 -0.303 50 20 CBGD C[C@@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)C2CC2)C1=O 916550027 AIWYVTBEQWTMBL-ZDUSSCGKSA-N 294.311 -0.736 50 20 CBGD O=C(CCc1nccs1)NNC(=O)CN1CCCC1=O 920432624 DNFAPQHWQOQLJM-UHFFFAOYSA-N 296.352 -0.155 50 20 CBGD Cn1cc(CC(=O)NNC(=O)Cc2cccnc2)cn1 1115982891 WXQHKLMDIQJEDR-UHFFFAOYSA-N 273.296 -0.252 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(F)nc1 1116179142 DRSRGKIZBVTYJT-UHFFFAOYSA-N 268.248 -0.494 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H](C)c1ncn(C)n1 1116711043 FSWFFLRNNNXRJC-YUMQZZPRSA-N 268.321 -0.588 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CCCc1ccccn1 1261835008 FHHZQNGMVFQCFY-UHFFFAOYSA-N 299.352 -0.404 50 20 CBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc[nH]1 1317732558 UFSXYSSNZSCXLT-SSDOTTSWSA-N 271.298 -0.790 50 20 CBGD CC(=NNC(=O)C(N)=O)c1cccc(NS(C)(=O)=O)c1 1318288998 KGCVOPZSNXHEJY-UHFFFAOYSA-N 298.324 -0.616 50 20 CBGD CCc1nn(C)c(Cl)c1C(=O)NNC(=O)CO 1320208472 ITIFAIVXAIJLPU-UHFFFAOYSA-N 260.681 -0.611 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC[C@@H]1CCCCO1 1320793546 VXRYCPCIYFIRHH-QMMMGPOBSA-N 273.289 -0.551 50 20 CBGD CCCS(=O)(=O)CC(=O)NNC(=O)Cc1ccncc1 1322267449 PHOJQUYRZVTHIE-UHFFFAOYSA-N 299.352 -0.404 50 20 CBGD CN(C)c1ccccc1NC(=O)C(=O)NNC(=O)CCO 1323943294 DMCQBUSISBQJLQ-UHFFFAOYSA-N 294.311 -0.779 50 20 CBGD CNC(=S)N(C)NC(=O)c1cc(COC)on1 1331204357 TZJFOIJXCDYRFE-UHFFFAOYSA-N 258.303 -0.098 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@H]2CN3CCN2C[C@@H]3C)n1 1350849941 DUBJPGQLUUOISR-NWDGAFQWSA-N 290.371 -0.075 50 20 CBGD Cn1nncc1NNC(=O)CC[C@@]1(C)CCC(=O)N1 1351216866 PDLRVZOFWBHOSS-LLVKDONJSA-N 266.305 -0.293 50 20 CBGD C[C@H](CNC(=O)NNC(=O)C(C)(C)C)N1CCN(C)CC1 1528443706 PMAJUSBSFMJTBR-LLVKDONJSA-N 299.419 -0.001 50 20 CBGD CC(C)CCn1cc(C(=O)NNC(=O)CCCN)nn1 1575587622 SJJTYTNDXABXPW-UHFFFAOYSA-N 282.348 -0.176 50 20 CBGD CC1(C)[C@@H](N)C[C@H]1C(=O)NNC(=O)c1cc[nH]n1 1576371130 JCMFZCOYFGZZBT-XPUUQOCRSA-N 251.290 -0.456 50 20 CBGD NCC(=O)NNC(=O)c1ncc(C(F)(F)F)s1 1580213453 JNCLORYZELATCQ-UHFFFAOYSA-N 268.220 -0.118 50 20 CBGD CC(C)(C)[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)O 1589715478 DJOWBXWYSOELOR-SNVBAGLBSA-N 297.091 -0.265 50 20 CBGD OB(O)[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 1593498383 LXWJEMNBVMKSPF-NSHDSACASA-N 273.105 -0.085 50 20 CBGD O=C(O)c1ccc(NNC(=O)[C@@H]2CCS(=O)(=O)C2)nc1 1602385000 ONDOTAVZGLLCKQ-MRVPVSSYSA-N 299.308 -0.342 50 20 CBGD O=C1C[C@@H](C(=O)NNc2ncccc2C(=O)O)CCN1 1606554950 ABRGGZUQSMJDAT-ZETCQYMHSA-N 278.268 -0.251 50 20 CBGD Cc1cc(=NNC(=O)Cn2ccc(C(=O)O)n2)cc[nH]1 1607696054 XEHLMHKHCWXFMB-UHFFFAOYSA-N 275.268 -0.150 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)N(CC#N)CC(=O)O)cn1 1608110731 UYYXGFBZMSWYIG-ONNFQVAWSA-N 273.252 -0.236 50 20 CBGD N#CC1=CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1647132689 KTUAYLKVWFLRLR-LLVKDONJSA-N 283.353 -0.555 50 20 CBGD CNC(=O)NNC(=O)c1ccnc(-n2ccnc2)c1 49313769 ARASAABNWIJJOI-UHFFFAOYSA-N 260.257 -0.159 50 20 CBGD Cc1nccn1CCCC(=O)NNC(=O)CN(C)C 113424725 YITPKUJPUCTTBP-UHFFFAOYSA-N 267.333 -0.319 50 20 CBGD CC[C@@H](C(=O)NNC(=O)Cn1nc(C)cc1C)N(C)C 126321783 HLUBQMPKJRNFDY-NSHDSACASA-N 281.360 -0.012 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cnn(C)c1C1CC1 139653749 KNJNRQJSVQSUMV-UHFFFAOYSA-N 293.327 -0.417 50 20 CBGD CN(C)C(=O)CNC(=O)NNC(=O)CC(C)(C)C 170884095 VXJUNGRREZQOAX-UHFFFAOYSA-N 258.322 -0.159 50 20 CBGD O=C(CO)NNC(=O)c1ccc(-c2ccccc2)[nH]c1=O 180948467 BVAVWBRHNZWBKT-UHFFFAOYSA-N 287.275 -0.205 50 20 CBGD O=C(CO)NNC(=O)c1cccc(-n2cccn2)n1 180960683 NBHNOWSXLIVWOD-UHFFFAOYSA-N 261.241 -0.979 50 20 CBGD Cn1cccc1C(=O)NNC(=O)Cn1cc([N+](=O)[O-])cn1 193147732 LRWJESUTIOUQJM-UHFFFAOYSA-N 292.255 -0.409 50 20 CBGD CCOC(=O)NCCC(=O)NNC(=O)Cc1ccncc1 266955854 ASWJBWTVMSKZEC-UHFFFAOYSA-N 294.311 -0.092 50 20 CBGD COC(=O)N1CC(NC(=O)NNc2ncccn2)C1 269300560 UIMZGROVQHKBEC-UHFFFAOYSA-N 266.261 -0.447 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCN1CCOCC1 269566234 KSBYXAIQGCTNNF-ZHACJKMWSA-N 253.302 -0.121 50 20 CBGD CC(C)NC(=O)NNC(=O)C(=O)N1CCC[C@H](C)C1 277933930 JOPGDGSBYGUZTO-VIFPVBQESA-N 270.333 -0.016 50 20 CBGD COC(=O)N(C)NC(=O)Cn1c(C)cc(C)nc1=O 286219675 FOGBPLWVAYKJKY-UHFFFAOYSA-N 268.273 -0.410 50 20 CBGD O=C1OC[C@H]2CN(S(=O)(=O)CBr)CCN12 376876136 MAFQRDRKVKFJFH-ZCFIWIBFSA-N 299.146 -0.195 50 20 CBGD COC(=O)NNS(=O)(=O)C[C@@H]1CCCCO1 491968809 PITYNAVOWKAIHV-ZETCQYMHSA-N 252.292 -0.254 50 20 CBGD CS[C@H]1CC[C@@H]1NC(=O)c1ccc(B(O)O)cc1 584959949 MMZKKGZDRKAZEK-QWRGUYRKSA-N 265.143 -0.010 50 20 CBGD C[C@@]1(O)CCCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584985918 SGZSYWIJRZRJII-CQSZACIVSA-N 295.119 -0.117 50 20 CBGD CCOC1(C)CN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584995712 XYMHZLKPKLBJFM-UHFFFAOYSA-N 281.092 -0.244 50 20 CBGD C[C@@H](CCNC(=O)c1ccc(B(O)O)c(F)c1)N(C)C 585006782 OLUZYJISRGCHNR-VIFPVBQESA-N 282.124 -0.425 50 20 CBGD CC(C)NC(=O)CCNCc1cccc(B(O)O)c1 585016000 QCRAYHPPEYQHHU-UHFFFAOYSA-N 264.134 -0.629 50 20 CBGD C[C@](O)(CNCc1ccccc1B(O)O)c1ccco1 585025700 AKNMGZAQEPQNJU-AWEZNQCLSA-N 275.113 -0.043 50 20 CBGD CC[C@@H](C)NC(=O)[C@H](C)NCc1ccccc1B(O)O 585032146 BXHUDYVSQLAYRJ-MNOVXSKESA-N 278.161 -0.241 50 20 CBGD C[S@](=O)C1(CNCc2ccc(B(O)O)cc2)CC1 585042156 JWPBLEYFHYFRCN-SFHVURJKSA-N 267.159 -0.633 50 20 CBGD C[S@@](=O)C1(CNCc2cccc(B(O)O)c2)CC1 585042792 UTZITJALFQFJSP-GOSISDBHSA-N 267.159 -0.633 50 20 CBGD CCc1ccc(C(=O)NCB(O)O)cc1S(C)(=O)=O 585062135 DOWHYLONGVGBMB-UHFFFAOYSA-N 285.130 -0.606 50 20 CBGD Cn1c(=NNC(=O)CNC(=O)CN)sc2ccccc21 588487005 QEKDVCGMIFFZAO-UHFFFAOYSA-N 293.352 -0.753 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC2CCCC2)N1 729841508 IBIRDINYRABBGQ-MRVPVSSYSA-N 254.290 -0.462 50 20 CBGD O=C(CCc1ccco1)NNC(=O)[C@H]1CCC(=O)N1 729842610 IDKIQNUNSWKHKQ-SECBINFHSA-N 265.269 -0.362 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H](C)n1cncn1 729921050 UAMLPJOJXHYJJO-MRVPVSSYSA-N 254.294 -0.030 50 20 CBGD O=C(CCn1ccnn1)NNC(=O)NCC1CC1 732062799 IMWMTBWONQRORX-UHFFFAOYSA-N 252.278 -0.591 50 20 CBGD COc1ccc(C(=O)NNC(=O)CN(C)C)cn1 733359956 ZEIHUASJRMWQRS-UHFFFAOYSA-N 252.274 -0.587 50 20 CBGD COc1ccc(C=NNC(N)=O)cc1-c1nn[nH]n1 737081971 SNFPMKILWYDXKW-UHFFFAOYSA-N 261.245 -0.123 50 20 CBGD O=C(O)CSCCC(=O)NNC(=O)N1CCOCC1 739847147 VQERNJRLMUDXJG-UHFFFAOYSA-N 291.329 -0.733 50 20 CBGD COCCOCC(C)=NNC(=O)[C@H](C)NS(C)(=O)=O 741164381 JDGSAKYHMGTPIK-VIFPVBQESA-N 295.361 -0.921 50 20 CBGD CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)NC)o1 748642012 ZSHHMDKPHBAVNN-UHFFFAOYSA-N 291.285 -0.421 50 20 CBGD COCC1(C(=O)NNC(=O)Cc2cc[nH]n2)CC1 755281978 LRZDFSVWGSVOIG-UHFFFAOYSA-N 252.274 -0.474 50 20 CBGD NC(=O)c1ccc(NC(=O)NNC(=O)CO)c(F)c1 756820068 HTHVPZLKMPURSI-UHFFFAOYSA-N 270.220 -0.930 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(C)nc1O 764317292 IPFNDCBLJNSVTI-UHFFFAOYSA-N 296.283 -0.782 50 20 CBGD CN(C)c1ncccc1C(=O)NNC(=O)C(C)(C)O 768248393 YAUXMMZTDGLVJE-UHFFFAOYSA-N 266.301 -0.321 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)C2CCCC2)C1=O 772140771 QZRQMOZNLCOJPT-VIFPVBQESA-N 253.302 -0.198 50 20 CBGD N#C/C(=C/C1CC1)C(=O)OCC(=O)N1CCNC(=O)C1 786665961 JPXHPONLCLJCNX-YHYXMXQVSA-N 277.280 -0.652 50 20 CBGD COC(=O)[C@@H](C)N(C)CC(=O)NNC(=O)C(C)(C)C 796500132 ZQCUQGHRNAHICQ-MRVPVSSYSA-N 273.333 -0.327 50 20 CBGD CNC(=O)[C@]1(C)CCN(CC(=O)NNC(=O)C(C)(C)C)C1 797525647 QKNPYADIUFHQBT-CQSZACIVSA-N 298.387 -0.362 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N[C@H]1C(=O)NCC[C@@H]1C 799346941 VCYQSAOZEUWMKO-JBLDHEPKSA-N 298.387 -0.317 50 20 CBGD CNC(=O)NCC(=O)NNc1ccc2c(=O)[nH]ccc2c1 803435817 MNJLBUFHMPWHPY-UHFFFAOYSA-N 289.295 -0.100 50 20 CBGD CC[C@](C)(C#N)C(=O)NNc1ccc(C(N)=O)nn1 807046400 WDFBQXRSZZVLJK-LLVKDONJSA-N 262.273 -0.042 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2c[nH]nc2C2CC2)CC1 807384059 WPLSNCOBQIALQY-UHFFFAOYSA-N 292.343 -0.111 50 20 CBGD O=C(C[C@H]1CCCC(=O)N1)NNC(=O)NCC(F)(F)F 813558660 ORLBPUFQPFOPKU-ZCFIWIBFSA-N 296.249 -0.062 50 20 CBGD CCN(CCO)NC(=O)c1ccc(-n2ccnc2)nn1 823855795 GJNVUVFVOBEYBH-UHFFFAOYSA-N 276.300 -0.379 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccc(-c2nn[nH]n2)cc1F 823948689 ULBIPIRGNPGYNS-UHFFFAOYSA-N 291.246 -0.669 50 20 CBGD CC(C)CN1C[C@@H](C(=O)NN(C)[C@H](C)CO)CC1=O 823977264 SDGKBKRJSDOIOF-MNOVXSKESA-N 271.361 -0.165 50 20 CBGD O=C1C[C@H](C(=O)NNC(=O)c2cccc(OC(F)F)c2)N1 826011254 CWXHNLLOPPZHSU-MRVPVSSYSA-N 299.233 -0.063 50 20 CBGD CC(C)C(=O)NNS(=O)(=O)c1cc(C(=O)O)n(C)c1 826658665 UCUXEUQRSLGEDD-UHFFFAOYSA-N 289.313 -0.311 50 20 CBGD C[C@@H](CSCC(=O)NNC(=O)C1CC1)C(=O)O 827575106 KUQLKNJXJCQMFN-LURJTMIESA-N 260.315 -0.002 50 20 CBGD CCOC(=O)CCN(C)CC(=O)NNC(=O)C(C)C 827641713 TZOHYWSHPSMSJA-UHFFFAOYSA-N 273.333 -0.325 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CC12CCNCC2 831180954 SUFONBUCYYXJBY-VIFPVBQESA-N 270.333 -0.505 50 20 CBGD C[C@@H](N)[C@H]1CCCCN1CC(=O)NNC(=O)C1CC1 843346435 OEOAYZKQIZCNLS-MWLCHTKSSA-N 268.361 -0.255 50 20 CBGD COCCO[C@@H](C)C(=O)NN=C(C)Cn1cncn1 853313504 DBEWPBASNSSLBN-JTQLQIEISA-N 269.305 -0.178 50 20 CBGD CN1CCN(C(=O)NNC(=O)/C=C/c2cnn(C)c2)CC1 854378982 KFFKTSDSXRVFDC-ONEGZZNKSA-N 292.343 -0.579 50 20 CBGD C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)N1CCN(C)CC1 854379031 MAELCCHUWXWRQO-TXEJJXNPSA-N 297.403 -0.153 50 20 CBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNc1ncccc1F 854415287 FPULKAOWDLVVKE-ZETCQYMHSA-N 290.320 -0.008 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cc[nH]n1)N1CCSCC1 855357431 JERVEAROAYTPMS-QMMMGPOBSA-N 283.357 -0.392 50 20 CBGD Cc1cnn(CCC(=O)NNC(=O)c2cc[nH]n2)c1 855359484 TZIVROZRAOCXBJ-UHFFFAOYSA-N 262.273 -0.234 50 20 CBGD CCOCCn1cc(C(=O)NNC(=O)OC)cn1 856756846 GEXJRQUBOYCPDH-UHFFFAOYSA-N 256.262 -0.080 50 20 CBGD CCNC(=O)NNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C 858782231 MTANUJJCPDFOCM-SSDOTTSWSA-N 290.320 -0.778 50 20 CBGD CNc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 862458949 KNXFHNPEGDOQBW-QMMMGPOBSA-N 277.284 -0.837 50 20 CBGD COC(=O)CSCCC(=O)NNC(=O)c1cn[nH]c1 862472046 TWDYYMOJYLZMRK-UHFFFAOYSA-N 286.313 -0.533 50 20 CBGD CC[C@H](C)NC(=S)NNC(=O)[C@@H]1CCC(=O)N1 863204162 RLDKXHDHODEFDS-BQBZGAKWSA-N 258.347 -0.441 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCN(CC3CC3)C2)cc1 877024514 GHZWBNQSFWPFBC-HNNXBMFYSA-N 274.173 -0.060 50 20 CBGD COC(=O)[C@@H]1[C@H](O)CCCN1S(=O)(=O)CCCCl 882105042 QZEHWKGERDOHSN-BDAKNGLRSA-N 299.776 -0.057 50 20 CBGD CCN1C[C@H](C(=O)NNC(=O)C2CCOCC2)CC1=O 883060902 AYBNBNXCNSMMHS-SNVBAGLBSA-N 283.328 -0.571 50 20 CBGD O=C1N[C@H](CC(=O)N2CC[C@@H](B(O)O)C2)c2ccccc21 902551650 GYBPZJJXYOYDMA-BXKDBHETSA-N 288.112 -0.064 50 20 CBGD COc1cc(OC)cc(C(=O)NNS(C)(=O)=O)c1 916103423 ZCBVJFFEIZAQMS-UHFFFAOYSA-N 274.298 -0.102 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCc2ncc[nH]2)cn1 1117375933 VTJSIMVECHUAJR-UHFFFAOYSA-N 262.273 -0.463 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1ccc(C#N)o1 1117484837 GSORXDYXIQPVRE-UHFFFAOYSA-N 258.259 -0.384 50 20 CBGD O=C(NCCN1CCCC1=O)NNC(=O)C1CCOCC1 1119349136 DIXKRSGMIDELGD-UHFFFAOYSA-N 298.343 -0.634 50 20 CBGD C=C[C@H](COC)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1261454088 XWOMTRWSVLWXFQ-OPRDCNLKSA-N 271.317 -0.057 50 20 CBGD O=C(Cc1ccoc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1320707970 FGTCOHZXSCOGBE-SECBINFHSA-N 286.309 -0.596 50 20 CBGD COCC(=O)NCCC(=O)NNc1ncncc1Cl 1320834767 QUKDUYXKBFYWKJ-UHFFFAOYSA-N 287.707 -0.274 50 20 CBGD CC(=O)NNC(=O)c1cccc(CS(N)(=O)=O)c1 1324351428 GKUJRGXTNAGYAB-UHFFFAOYSA-N 271.298 -0.744 50 20 CBGD CC(C)NC(=S)NNC(=O)CN(C)C(=O)C1CC1 1328075901 MBCMQLLPUWHFCW-UHFFFAOYSA-N 272.374 -0.242 50 20 CBGD Cc1nc(CC(=O)NNC(=O)NCC(F)(F)F)n[nH]1 1329277274 RBGKRKZIXAJBIU-UHFFFAOYSA-N 280.210 -0.452 50 20 CBGD CNc1nc(C)cc(C(=O)NNC(=O)C(=O)NC(C)C)n1 1329608296 SYGAXURHMOIKJV-UHFFFAOYSA-N 294.315 -0.888 50 20 CBGD O=C(NNC(=O)c1cccnn1)N[C@@H]1CCSC1 1331289671 SODARWZRIVRIPA-SSDOTTSWSA-N 267.314 -0.074 50 20 CBGD CCOC(=O)[C@H](N[C@H](C)C(=O)NNC(=O)CC)C1CC1 1346125513 CGGKWPXWDGZHGM-LDYMZIIASA-N 285.344 -0.136 50 20 CBGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@@H]1C[C@H]1F 1348864839 YOXDGOXITIWVBW-RNFRBKRXSA-N 285.300 -0.017 50 20 CBGD CCn1ccc(NC(=O)C(=O)NNC(=O)C(C)C)n1 1350145794 NUHDBDLSMIIKQX-UHFFFAOYSA-N 267.289 -0.355 50 20 CBGD CN(C)C(=O)NNC(=O)CCc1ocnc1C(=O)O 1598139726 BQBKSHUTOVPHPF-UHFFFAOYSA-N 270.245 -0.392 50 20 CBGD CCc1nn(C)cc1C(=O)NNC(=O)N1CCOCC1 180065557 AXLWKGOKSWRSPR-UHFFFAOYSA-N 281.316 -0.331 50 20 CBGD CCO/C=C(\C#N)C(=O)NN1CC(=O)N(C)C1=O 272649105 MPKSORIPRWRVTR-VOTSOKGWSA-N 252.230 -0.644 50 20 CBGD COCCN1C[C@H](C(=O)NNC(=O)C2CC2)CC1=O 298342834 IDCLKCGVLXSMBS-SECBINFHSA-N 269.301 -0.961 50 20 CBGD Cc1nc(CCNC(=O)c2cccc(B(O)O)c2)c(C)o1 584967069 FFMTVDHWFGJYQP-UHFFFAOYSA-N 288.112 -0.056 50 20 CBGD N#C[C@@H]1CSCCN1C(=O)c1cccc(B(O)O)c1 584970227 NEANSMFCCZRIFF-LLVKDONJSA-N 276.126 -0.552 50 20 CBGD C[C@H](CCO)CCNC(=O)c1cc(B(O)O)ccc1F 584993868 AHCQJTJAHRZYDQ-VIFPVBQESA-N 283.108 -0.356 50 20 CBGD O=C(NCCC1(O)CCC1)c1ccc(B(O)O)cc1 584994994 SSTMUVNPCKUJQX-UHFFFAOYSA-N 263.102 -0.599 50 20 CBGD CC(=O)NC1CCC(NCc2ccc(B(O)O)o2)CC1 585021330 SYEKNXBORSUPOB-UHFFFAOYSA-N 280.133 -0.504 50 20 CBGD CC(C)NC(=O)C[C@@H](C)NCc1cccc(B(O)O)c1 585022958 DPQWAHHOCDGJQO-LLVKDONJSA-N 278.161 -0.241 50 20 CBGD O=C(CCNCc1ccc(B(O)O)cc1)N1CCCCC1 585035055 PFDRODXDVSGGSE-UHFFFAOYSA-N 290.172 -0.141 50 20 CBGD CC1(c2nc(-c3ccc(B(O)O)cc3)no2)COC1 585053359 FCEAWFXRZOPDHT-UHFFFAOYSA-N 260.058 -0.296 50 20 CBGD CCC(=O)c1cccc(S(=O)(=O)NCB(O)O)c1 585055985 MEQGNBQKQPZYMV-UHFFFAOYSA-N 271.103 -0.430 50 20 CBGD CN1C(=O)CC[C@@H](C(=O)NCB(O)O)[C@@H]1c1ccccc1 585059342 JXGHQJCLQNKOEB-YPMHNXCESA-N 290.128 -0.276 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc(C(F)F)cc1 585059462 OPBQUIUGTOWBJQ-UHFFFAOYSA-N 265.046 -0.086 50 20 CBGD O=C(NCB(O)O)c1cccc2c1OC(F)(F)O2 585063282 WDRNADCWICGSAJ-UHFFFAOYSA-N 258.973 -0.250 50 20 CBGD C[C@H]1CC[C@@H](C)N1CC(=O)N1CC[C@@H](B(O)O)C1 585068620 CSUUTNQNLMKHNY-OUAUKWLOSA-N 254.139 -0.066 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)CCc1ccccc1O 730033927 DLRKCDKMSFDERK-VIFPVBQESA-N 293.323 -0.003 50 20 CBGD CN(C)CC(=O)NNC(=O)CCc1nccs1 733359129 ATZYMUYWEPVDQZ-UHFFFAOYSA-N 256.331 -0.215 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)Cc1ccon1 739930184 JTIAVXWDBZSXJN-UHFFFAOYSA-N 252.274 -0.336 50 20 CBGD COc1cc(OCC(=O)NNC(=O)CO)ccc1[N+](=O)[O-] 753444934 CPTVPFRZAQWOKO-UHFFFAOYSA-N 299.239 -0.878 50 20 CBGD CC(C)[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)N(C)C 755270157 YZOZYIXBDWDPOP-NSHDSACASA-N 267.333 -0.314 50 20 CBGD C=CCCOCCNC(=O)NNC(=O)c1cnn(C)c1 757047247 UHIBADCVDAKYAP-UHFFFAOYSA-N 281.316 -0.043 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)OC)c1 763438051 NHANFIOOCWIDJL-UHFFFAOYSA-N 293.279 -0.031 50 20 CBGD C#CCOc1cc(F)ccc1NC(=O)C(=O)NNC(C)=O 763517445 YJTVUFZISKVSMX-UHFFFAOYSA-N 293.254 -0.057 50 20 CBGD COc1cccc(NNC(=O)CN2CCN(C)CC2)n1 780773406 WIDRJBUDGCRFAX-UHFFFAOYSA-N 279.344 -0.219 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)CCn1cncn1 807369588 AJRBGQBJBAQIAD-UHFFFAOYSA-N 299.331 -0.395 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)c2ncn(C)n2)cc1 809960404 ZUYGMNMGLKHQMH-UHFFFAOYSA-N 289.295 -0.036 50 20 CBGD CCN(CC(=O)NNC(=O)C(C)(C)C)[C@@H](C)CO 815185937 WPTAQDRUAITUSY-VIFPVBQESA-N 259.350 -0.117 50 20 CBGD O=C1C[C@H](C(=O)NNC(=O)NCCc2cccs2)N1 823810959 YCVWNTVZQVTPSC-MRVPVSSYSA-N 282.325 -0.491 50 20 CBGD COC(=O)[C@H]1C[C@H](NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1 824168053 VOYZHRSBEZSUCT-XKNYDFJKSA-N 299.327 -0.307 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCCn1cncn1 825685970 AVCZQLXPTYHBCW-NXEZZACHSA-N 296.331 -0.576 50 20 CBGD CNC(=O)NCC(=O)NNc1cccc(-c2nn[nH]n2)c1 826067777 JYVXWGHFJXLHHG-UHFFFAOYSA-N 290.287 -0.761 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccn(COC)n1 831854183 QGTFFDIUVZBHJQ-UHFFFAOYSA-N 255.278 -0.207 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 839648651 ASWACVFWNOZWAG-NXEZZACHSA-N 274.236 -0.016 50 20 CBGD CNC[C@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 843346866 RBILMJUXGIVCEO-SNVBAGLBSA-N 268.361 -0.525 50 20 CBGD CCC1(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)COC1 843655032 TVGQIRBSGBQRGJ-BDAKNGLRSA-N 256.302 -0.015 50 20 CBGD O=C(NNc1ncc(F)cc1F)[C@@H]1CCS(=O)(=O)N1 846252216 WCBGUKFMWNBJGS-ZETCQYMHSA-N 292.267 -0.505 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC(S(=O)(=O)CC)C1 852141513 IMHMYLVUZZAZAS-MRVPVSSYSA-N 291.373 -0.949 50 20 CBGD Cc1ncc(C=NNC(=O)C(=O)N2CCCC2)n1C 853297610 DRCHMBBBMDKOOV-UHFFFAOYSA-N 263.301 -0.199 50 20 CBGD CCC[C@H](C(=O)NNc1ncncc1F)S(N)(=O)=O 854608779 FTOQBHKHNWRQEC-SSDOTTSWSA-N 291.308 -0.484 50 20 CBGD O=C1C[C@@H](C(=O)NNC(=S)NCC2CCC2)CCN1 855090217 CQOPBLUYZBUZNQ-VIFPVBQESA-N 284.385 -0.192 50 20 CBGD C[C@H]1C[C@H](C(=O)NNC(=O)c2cc[nH]n2)CCO1 855356047 FOUQPYDNCFSVRR-JGVFFNPUSA-N 252.274 -0.014 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)c2cccc(F)n2)C1 856424436 LPWVKNIWBLPUJE-SECBINFHSA-N 282.275 -0.688 50 20 CBGD COCC(=O)NNC(=O)Nc1cnn(CCF)c1 861484217 KFHXIOFUMWWCIB-UHFFFAOYSA-N 259.241 -0.348 50 20 CBGD CCOc1ncccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862450483 UWKHOEPUPSAQKJ-SECBINFHSA-N 292.295 -0.480 50 20 CBGD CC(Cl)(Cl)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862460705 HTHRLQFUTOIBPU-SCSAIBSYSA-N 268.100 -0.394 50 20 CBGD C[C@@H](Cc1cnccn1)NCc1ccc(B(O)O)cc1 876976551 PPDNUMPZKYVOAA-NSHDSACASA-N 271.129 -0.123 50 20 CBGD COCCCNC(=S)N(C)NC(=O)CC(=O)OC 905344279 VZKGXKGVAAWZAT-UHFFFAOYSA-N 277.346 -0.577 50 20 CBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NN(C)C[C@@H](C)O 910150858 WYNPLOLAGQTCHT-BXUZGUMPSA-N 297.355 -0.748 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CCCCc1cnn[nH]1 910151694 IKYHWDRMBAGSOS-SECBINFHSA-N 255.322 -0.139 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@@H]2CNCCN2C)n1 911884356 XQRPZAVBHQWFCH-JTQLQIEISA-N 264.333 -0.560 50 20 CBGD CCn1cc(C(=O)NNC(=O)CN2CCCC2=O)cn1 913730736 HFKNSTDDLOGFIT-UHFFFAOYSA-N 279.300 -0.714 50 20 CBGD CC(=O)NNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O 920430384 MHBSJRDDIULDOX-NTSWFWBYSA-N 267.207 -0.389 50 20 CBGD CCOCC(=O)NNC(=O)NCc1ccnc(C)n1 1116015953 NQQJSJJUPZERCC-UHFFFAOYSA-N 267.289 -0.348 50 20 CBGD C[C@H](O)c1cn(CC(=O)NNC(=O)NCC2CC2)nn1 1116284866 CXSXAQOQDWJELG-ZETCQYMHSA-N 282.304 -0.928 50 20 CBGD Cn1nncc1NNC(=O)CCCCc1cnn[nH]1 1117761539 DYWCGYXUDAPLCG-UHFFFAOYSA-N 264.293 -0.211 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1cncc(OC)n1 1118244505 GSEHBYNYCCVGGW-UHFFFAOYSA-N 283.244 -0.799 50 20 CBGD C[C@H](CNC(=O)NNC(=O)c1cn[nH]c1)Cn1cccn1 1118801055 LORKMIIZJJDWTL-SECBINFHSA-N 291.315 -0.114 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H](O)c2cccnc2)cn1 1257427638 KPVQXKPJSQOBTC-JTQLQIEISA-N 275.268 -0.690 50 20 CBGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)C(=O)OC)C12CCC2 1318942443 POYUOKVFQYJFTH-RKDXNWHRSA-N 299.327 -0.163 50 20 CBGD O=C(CCl)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 1319923463 LGXFJQQJYUJLCA-SSDOTTSWSA-N 282.749 -0.965 50 20 CBGD Cc1nn2cccnc2c1C(=O)NNC(=O)Cc1cc[nH]n1 1320394285 GETLCAKXYBQHBM-UHFFFAOYSA-N 299.294 -0.235 50 20 CBGD Cc1nc(C(=O)NNC(=O)C(=O)N2CCCC2)c(C)o1 1324913862 OXBLVMABCGVZMB-UHFFFAOYSA-N 280.284 -0.325 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NOC1CCOCC1 1326767021 NIOBNCNYTSONBV-SCZZXKLOSA-N 287.316 -0.148 50 20 CBGD CC(F)(F)CCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329201826 RDLQSPBAHBODRB-LURJTMIESA-N 263.244 -0.152 50 20 CBGD O=C(NNc1cccc(F)c1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 1330755517 ORUXPZCQHLWYPJ-IJLUTSLNSA-N 282.271 -0.318 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1337267385 CLNHEADLZBIMDK-GARJFASQSA-N 258.318 -0.617 50 20 CBGD NC(=O)NC1(C(=O)NNC(=O)c2ccncc2)CC1 1341473973 OXCOMYUWYQABEL-UHFFFAOYSA-N 263.257 -0.957 50 20 CBGD C[C@]1(CNC(=O)C[C@@H](O)CN)C[C@@H]1Br 1342286546 WDXRNXRJNZPLBR-BKPPORCPSA-N 265.151 -0.014 50 20 CBGD O=C(CN1C(=O)CCC1=O)NNc1ncncc1Cl 1351550068 URTLIQSXSNHHIP-UHFFFAOYSA-N 283.675 -0.278 50 20 CBGD C[C@@H](C(=O)NNC(=O)[C@@H]1CCN1)C(=O)OC(C)(C)C 1575068513 CVFWXIRPEQNRPV-YUMQZZPRSA-N 271.317 -0.527 50 20 CBGD CC(C)C[C@@H](N)CC(=O)NNC(=O)[C@H]1CCC(=O)N1 1575631683 SGAAUWQDIUWQFI-RKDXNWHRSA-N 270.333 -0.824 50 20 CBGD NCCCC(=O)NNC(=O)COCc1ccnc(O)c1 1580289090 LARXCTPETNKMRB-UHFFFAOYSA-N 282.300 -0.810 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)NC[C@](C)(O)C(=O)O)cn1 1600946804 PINPVDQDNWHRRA-PPFSTCQPSA-N 278.268 -0.721 50 20 CBGD O=C(O)[C@@H]1CC[C@H](C(=O)NNC(=O)[C@H]2CCCS2)O1 1601556421 XYFSXCAUIJISPP-GJMOJQLCSA-N 288.325 -0.338 50 20 CBGD CC(C)[C@H](C(=O)O)C(=O)NNC(=O)C(=O)N1CCCC1 1602970475 UGNNHWJHHPEELL-QMMMGPOBSA-N 285.300 -0.887 50 20 CBGD O=C(O)C1(C(=O)NNc2cccnn2)CCOCC1 1605935365 HIAHYJDPJGKMIQ-UHFFFAOYSA-N 266.257 -0.199 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1csnc1C(=O)O 1606002043 MQQOXHXDDCPAAC-UHFFFAOYSA-N 294.314 -0.694 50 20 CBGD N#Cc1ccc(C(=O)O)c(C=NNC(=O)C(N)=O)c1 1776015921 PENQSXLVZMKWCP-UHFFFAOYSA-N 260.209 -0.808 50 20 CBGD Cc1cc(CC(=O)NNC(=S)NC2CC2)[nH]n1 17514256 ORSYLRDEQQBYLW-UHFFFAOYSA-N 253.331 -0.082 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)c1ccccn1 49103952 DQASFKUGWBMVFD-SECBINFHSA-N 279.300 -0.320 50 20 CBGD CCCCN(CC(N)=O)CC(=O)NNC(=O)C1CC1 112976948 IBZQDGLZXVCCEA-UHFFFAOYSA-N 270.333 -0.869 50 20 CBGD CC[C@@H](C(=O)NNc1ccc(C(N)=O)nn1)N(C)C 152330035 QGGVCPKMXGUNLI-QMMMGPOBSA-N 266.305 -0.641 50 20 CBGD O=C(CN1CC[C@H](O)C1)NNC(=O)c1ccc(F)cc1 152424048 RDDFOJRFDWMFTG-NSHDSACASA-N 281.287 -0.347 50 20 CBGD O=C(CO)NNC(=O)c1cnc(-c2ccccn2)s1 182756244 HNPNDVZBZANLQC-UHFFFAOYSA-N 278.293 -0.042 50 20 CBGD CCO[C@@H](C)C(=O)NNC(=O)C(=O)NC(CC)CC 265860080 GFIMNRCPMCGIKJ-QMMMGPOBSA-N 273.333 -0.136 50 20 CBGD CCOC(=O)C(C)(C)C(=O)NNc1ccc(C(N)=O)nn1 270797623 WBHMKKPEXNTLPT-UHFFFAOYSA-N 295.299 -0.392 50 20 CBGD CSc1nsc(NC(=O)NNC(=O)CN(C)C)n1 274192715 LWCNZNOJNRWOFA-UHFFFAOYSA-N 290.374 -0.026 50 20 CBGD CN1CCO[C@@H](C(=O)NNc2ncncc2F)C1 294233144 ZKFVICBWZLDLFM-MRVPVSSYSA-N 255.253 -0.611 50 20 CBGD CCOC(=O)NCCC(=O)NNC(=O)c1c[nH]nc1C 495638244 GJZDKQIOLQYOKN-UHFFFAOYSA-N 283.288 -0.385 50 20 CBGD O=C(NC[C@@H]1CCC[C@H](O)C1)c1cc(B(O)O)ccc1F 584950262 LGDRZGCFRSCOGN-KOLCDFICSA-N 295.119 -0.214 50 20 CBGD O=C(NC[C@@H](CO)C1CC1)c1cc(B(O)O)ccc1F 584990976 PSUQMUYBNYSBBP-VIFPVBQESA-N 281.092 -0.746 50 20 CBGD CC[C@H](C[C@H](C)CO)NCc1ccc(B(O)O)o1 585027688 XVRFODNEEWIFTE-VHSXEESVSA-N 255.123 -0.154 50 20 CBGD CCO[C@H]1COCC[C@H]1NCc1cccc(B(O)O)c1 585034591 KHLLHDBPQKLTSH-KGLIPLIRSA-N 279.145 -0.350 50 20 CBGD C[C@H]1CCC[C@]1(O)CNCc1ccc(B(O)O)o1 585042986 IWYNORTYGCDLRA-CABZTGNLSA-N 253.107 -0.400 50 20 CBGD Cn1ncc(CCCNCc2cccc(B(O)O)c2)n1 585043305 MHOPLYYSXRHEDO-UHFFFAOYSA-N 274.133 -0.783 50 20 CBGD COc1cc(S(=O)(=O)NCB(O)O)cnc1Cl 585059772 ZALQLYQYIPCNRC-UHFFFAOYSA-N 280.498 -0.966 50 20 CBGD O=C(Cn1ccc(C(F)(F)F)n1)N1CC[C@H](B(O)O)C1 585075086 PSQDVOCYHUIZKX-ZETCQYMHSA-N 291.038 -0.023 50 20 CBGD C[C@@]1(CO)C[C@H](O)CN1S(=O)(=O)CBr 698137288 YSNBSABCCZCJAH-BQBZGAKWSA-N 288.163 -0.514 50 20 CBGD Cc1cnn(CC(=O)NNC(=O)Cc2cccnc2)c1 728850106 ISCSIBZYXIFVNU-UHFFFAOYSA-N 273.296 -0.023 50 20 CBGD NC(=O)CNC(=S)NNC(=O)CCc1ccccc1O 729939645 DVZNLRAPERUPFQ-UHFFFAOYSA-N 296.352 -0.695 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cnn3cccnc23)cn1 735444697 PQTGDNKDWPJQCF-UHFFFAOYSA-N 285.267 -0.462 50 20 CBGD CCC(COC)=NNC(=O)[C@@H]1CCS(=O)(=O)C1 735972738 QHTGTEWSPMZBBY-MRVPVSSYSA-N 262.331 -0.050 50 20 CBGD COc1ccnc(NNC(=O)N[C@H]2CCCN(C)C2=O)n1 748664377 JANONKWLTJVKIP-QMMMGPOBSA-N 294.315 -0.268 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)NCc1ccco1 751533100 HJTSIZDJUSDIMF-VIFPVBQESA-N 280.284 -0.269 50 20 CBGD CCOC(=O)Cn1cccc(NC(=O)NNC(C)=O)c1=O 765223869 GCGDUTJCOUYZOG-UHFFFAOYSA-N 296.283 -0.416 50 20 CBGD Cn1cc(/C=C\C(=O)NNC(=O)C(C)(C)O)cn1 768259283 JIJIZXIQSKVNDH-PLNGDYQASA-N 252.274 -0.648 50 20 CBGD CCOCC(=O)NN[C@H](C(=O)OC)c1cccnc1 771898575 OWTGULLSCDKCTN-NSHDSACASA-N 267.285 -0.047 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)C2CCCC2)C1=O 772140770 QZRQMOZNLCOJPT-SECBINFHSA-N 253.302 -0.198 50 20 CBGD Cc1cc(C)nc(NNC(=O)N=c2nc[nH]n2C)n1 774050490 ORKTWVNLHMQMIL-UHFFFAOYSA-N 262.277 -0.208 50 20 CBGD COc1cc(C=NNC(=O)CO)cc([N+](=O)[O-])c1O 776779420 ARFQMWPYMVUSOT-UHFFFAOYSA-N 269.213 -0.249 50 20 CBGD CCO[C@H](C)C(=O)NNC(=O)N1CCN(C)CC1 788169148 JHVRGSFBRBKYFT-SECBINFHSA-N 258.322 -0.600 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CCC(=O)c2ccccc21 807196581 XHNRNPLUJLRPBN-JTQLQIEISA-N 262.265 -0.114 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cc[nH]c2)CC1 807379977 LDKWTKPSFINNAB-UHFFFAOYSA-N 251.290 -0.384 50 20 CBGD CN(C)CC(=O)NN=Cc1cnc(N(C)C)n1C 811640913 FMIIQYFOZCXZTI-UHFFFAOYSA-N 252.322 -0.502 50 20 CBGD CCCc1nnc(S)n1CC(=O)NNc1cnnn1C 816772325 VHOQJIALMXIIJD-UHFFFAOYSA-N 296.360 -0.209 50 20 CBGD O=C(CCN1CCOCC1)NNc1ncncc1F 817078638 NPAUNRYIPHZZSF-UHFFFAOYSA-N 269.280 -0.219 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)C[C@@H]1CCCN1C 817292973 XQVWOBFGPLHSAX-QWRGUYRKSA-N 270.377 -0.042 50 20 CBGD CC1=C(C(=O)NNC(=O)CC2CC2)Cn2nnnc2N1C 819118352 RVOKQXPNUMOVNN-UHFFFAOYSA-N 291.315 -0.656 50 20 CBGD CCNC(=O)NNC(=O)c1cc(-c2nn[nH]n2)cn1C 821292391 ABGNCBDMDZJHMF-UHFFFAOYSA-N 278.276 -0.831 50 20 CBGD CCN(CCO)NC(=O)Cn1c(C)cc(O)cc1=O 823865848 ZKDZUGWQLAIJDW-UHFFFAOYSA-N 269.301 -0.792 50 20 CBGD Cc1cc(O)cc(=O)n1CCC(=O)NN(C)[C@H](C)CO 823947339 WOLUJDOMABKYFU-SNVBAGLBSA-N 283.328 -0.404 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccc(C(N)=O)s1 823964470 AIRYTVCDOSKEKJ-ZCFIWIBFSA-N 257.315 -0.196 50 20 CBGD CC(=O)N1CCCC[C@H]1C(=O)NN(C)[C@@H](C)CO 823971204 QLYFIUBBJATXLI-ONGXEEELSA-N 257.334 -0.269 50 20 CBGD CCN1CC[C@H](NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1=O 826732748 QPNLGNRSAHXRDC-UTLUCORTSA-N 298.343 -0.637 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H](C)C[C@H](C)N 831211195 FDQTVQGGUHLGLZ-IVZWLZJFSA-N 290.364 -0.506 50 20 CBGD O=C(NNC(=O)C1CCC1)NC1CN(C(=O)O)C1 831736633 QLCACLHSSBQWOK-UHFFFAOYSA-N 256.262 -0.521 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cn(C)cn1 843977801 IIIJMVDODVGICX-HTQZYQBOSA-N 252.274 -0.394 50 20 CBGD C#C[C@H](CC)NC(=O)NNC(=O)C(=O)N1CCCC1 854069899 FEOBSDVJGQMSDD-SECBINFHSA-N 266.301 -0.649 50 20 CBGD CC(=O)NNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]21 854155906 YQRMUOCYTKSAND-BBBLOLIVSA-N 253.302 -0.151 50 20 CBGD CON(C)C(=O)[C@H](C)NC(=O)NNc1ccc(C)nn1 858969861 SNPQUWMPEYVTDE-QMMMGPOBSA-N 282.304 -0.181 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCC12OCCO2)c1cn[nH]c1 862470647 UDIAUTWURFMJQT-VIFPVBQESA-N 280.284 -0.286 50 20 CBGD Cc1cc(C(=O)NNC(=O)CS(C)(=O)=O)ns1 863466098 MMKDDDRTGOUSCO-UHFFFAOYSA-N 277.327 -0.743 50 20 CBGD O=C(Cc1nc[nH]n1)NNC(=S)NCC1CCC1 869216819 FLZJNSKAHBREES-UHFFFAOYSA-N 268.346 -0.357 50 20 CBGD COC(=O)[C@@H]1C[C@H](O)CN(S(=O)(=O)CCCCl)C1 882312705 YJCGMTHTRKBAFA-BDAKNGLRSA-N 299.776 -0.199 50 20 CBGD C#CCCCC(=O)NNC(=O)c1ccn(C)c(=O)c1 887140431 DOZBTAWTJSBYGT-UHFFFAOYSA-N 261.281 -0.050 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1CCC(=O)N1C 887146617 FDRYJNFHGUKFQP-SECBINFHSA-N 251.286 -0.442 50 20 CBGD Cc1nn(C)c(C)c1CC(=O)NN(C)C[C@@H](C)O 910175979 WSZFFRNUXLKATE-MRVPVSSYSA-N 254.334 -0.077 50 20 CBGD CCCNC(=O)NNC(=O)[C@H](C)CN1CCOCC1 915879446 VGSPUUXULVAVJS-SNVBAGLBSA-N 272.349 -0.305 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](C2OCCO2)C1 932002115 DEGDZBQWVMMOPV-ZJUUUORDSA-N 285.344 -0.373 50 20 CBGD CCO/C=C(/C#N)C(=O)NC[C@H]1CN(C)CCN1C 1116337970 WHRWSEWRMBPLFG-WEHUKYGOSA-N 266.345 -0.208 50 20 CBGD COc1ncccc1NC(=O)C(=O)NNC(C)=O 1116618177 LHUHIKXZJXMBED-UHFFFAOYSA-N 252.230 -0.804 50 20 CBGD Cc1c[nH]cc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1251140947 HBFYRBBQCYIGOV-MRVPVSSYSA-N 285.325 -0.481 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CC[C@H](C#N)C1 1261445072 PFMNPKYAUGJWNN-NKWVEPMBSA-N 254.246 -0.818 50 20 CBGD CS[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccccn1 1319610164 QRKMBMMSPAOUAX-SSDOTTSWSA-N 282.325 -0.081 50 20 CBGD CN(C)C(=O)N1CCC(C(=O)NNc2nc[nH]n2)CC1 1325022563 GONXWRKJODIIDW-UHFFFAOYSA-N 281.320 -0.359 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1CCOC1 1326284409 UBRCZACSELDCSA-XHNCKOQMSA-N 257.290 -0.469 50 20 CBGD CN1C(=O)CN(NS(=O)(=O)CBr)C1=O 1328649404 JNFKEFSYYSLHOZ-UHFFFAOYSA-N 286.107 -0.933 50 20 CBGD Cc1cc(=NNC(=O)N[C@H]2CCN(C)C2=O)cc[nH]1 1330696452 MKFJCUFKBBLNOX-JTQLQIEISA-N 263.301 -0.331 50 20 CBGD CC(C)C(=O)NNC(=O)Cc1nc2ncccn2n1 1337587177 AQQNHMZCWXSLKT-UHFFFAOYSA-N 262.273 -0.530 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@H]1CCCOC1 1344367162 SWJNBIOXISEQIQ-SECBINFHSA-N 271.317 -0.525 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H](C)[C@@H]2CCC(=O)N2)n[nH]1 1348268258 ONFPVTDJGLUUKV-YUMQZZPRSA-N 279.300 -0.606 50 20 CBGD CCO/C=C(\C#N)C(=O)NC1CCN(CC(N)=O)CC1 1350812249 IIJZKBSUPITQNW-MDZDMXLPSA-N 280.328 -0.504 50 20 CBGD C[C@@H](CO)N(C)NC(=O)C1CCN(C(=O)N(C)C)CC1 1352230666 QSZFZRZPQQVJIO-JTQLQIEISA-N 286.376 -0.276 50 20 CBGD CNc1ccc(C(=O)NNC(=O)CCCN)nc1 1578756922 BNGZHDPBLALHMD-UHFFFAOYSA-N 251.290 -0.377 50 20 CBGD C=CCNC(=S)NNC(=O)C1(C(=O)O)CCC1 1588465374 GQZBYMWGDDKBCY-UHFFFAOYSA-N 257.315 -0.077 50 20 CBGD CNC(=S)N(C)NC(=O)c1cc(C(=O)O)nn1C 1593797683 XBWLBPCCWQVVGV-UHFFFAOYSA-N 271.302 -0.801 50 20 CBGD O=C(NNC(=O)[C@]1(C(=O)O)CCCO1)c1ccncc1 1594782635 CTPRRUOHZLJQBM-LBPRGKRZSA-N 279.252 -0.524 50 20 CBGD O=C(NNC(=O)[C@@H]1CC[C@H]1C(=O)O)c1ncccn1 1594783304 YYXVPXBFQPVRHF-RNFRBKRXSA-N 264.241 -0.652 50 20 CBGD COc1cc(-c2nn[nH]n2)ccc1OCC(=O)NN 1605181430 FOMHJVXLALKEND-UHFFFAOYSA-N 264.245 -0.756 50 20 CBGD CCN(C)C(=O)CNC(=O)NNC(=O)C(C)(C)C 187889488 QVDXBVSNMSCBKC-UHFFFAOYSA-N 258.322 -0.159 50 20 CBGD N#Cc1ccc(S(=O)(=O)NCB(O)O)c(Cl)c1 223879269 WKRXEYROLZUTIE-UHFFFAOYSA-N 274.494 -0.498 50 20 CBGD C=CCNC(=S)NNC(=O)CNC(=O)C(C)(C)C 263646840 CPYNKCTUWXDSTP-UHFFFAOYSA-N 272.374 -0.170 50 20 CBGD COc1cccc(C[C@@H](C(=O)NN)n2nnnc2C)c1 270234174 PHSLXAXUPVJATI-NSHDSACASA-N 276.300 -0.236 50 20 CBGD NC(=O)[C@@H]1CC[C@@H](C(=O)NNC(=O)c2ccccc2)O1 276607107 MICGYTOLDUWVJF-UWVGGRQHSA-N 277.280 -0.520 50 20 CBGD COC(=O)N(C)NC(=O)COc1ccc(C(N)=O)cc1 286427019 QULBWQXGPLDDEA-UHFFFAOYSA-N 281.268 -0.106 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)CSCC(N)=O 298433386 PJFIAWJZOOKPMS-UHFFFAOYSA-N 263.319 -0.239 50 20 CBGD CC(=O)N1CCC[C@H]1C(=O)NNC(=O)N1CCOCC1 299363149 JCZCAIJPAMZNCU-JTQLQIEISA-N 284.316 -0.930 50 20 CBGD O=S(=O)(CCCCCl)N1C[C@H](O)[C@@H](CO)C1 316482847 ZKXYGSXZBWCSFY-BDAKNGLRSA-N 271.766 -0.380 50 20 CBGD CC1CCC(N2C[C@H](C(=O)NNC(=O)CO)CC2=O)CC1 376831792 KRKBVIPVSAWTNW-HSOILSAZSA-N 297.355 -0.447 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)OC)cc1 495366941 KTQJSBZLEGXYBH-UHFFFAOYSA-N 295.251 -0.201 50 20 CBGD CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C=NNC(=O)C(N)=O)C1 497223847 ZADBJUBEWQARQY-AMIZOPFISA-N 296.327 -0.169 50 20 CBGD C[C@@H](C(=O)Nc1cccc(B(O)O)c1)[C@@H]1CCC(=O)N1 584911784 MYYHTVAHIJBFHR-KCJUWKMLSA-N 276.101 -0.780 50 20 CBGD C[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@@H]1CCCO1 584930225 YDLCYXJWAVXLOK-PELKAZGASA-N 281.092 -0.197 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)CCN1C 584950416 KIERBPWQSGLILB-KOLCDFICSA-N 294.135 -0.282 50 20 CBGD CSCCN(C)C(=O)c1ccc(B(O)O)cc1 584957758 MNKPRNADUXZQPD-UHFFFAOYSA-N 253.132 -0.199 50 20 CBGD C=CC[C@H](CO)CNC(=O)c1cccc(B(O)O)c1 584969753 ITCUTKNKIOJQOK-JTQLQIEISA-N 263.102 -0.719 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N(CCCO)C1CCC1 584979610 ZIZXRELDUOVZHU-UHFFFAOYSA-N 295.119 -0.117 50 20 CBGD O=C(N[C@@H](CO)CC(F)F)c1cccc(B(O)O)c1 584982868 NHARPAPSOSNRSW-SECBINFHSA-N 273.044 -0.888 50 20 CBGD CNC(=O)[C@@H]1CCC[C@@H]1NCc1ccccc1B(O)O 585032693 YPBVEZWLSKHGQA-YPMHNXCESA-N 276.145 -0.629 50 20 CBGD Cn1nccc1S(=O)(=O)NNC(=O)C(C)(C)C 727357722 SFOQVYRNPKNWSX-UHFFFAOYSA-N 260.319 -0.224 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)NOCc1ccccc1 728752895 SYKHXNHSQFHSLP-UHFFFAOYSA-N 292.295 -0.273 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCN1c1ncccn1)NC1CC1 747367150 PDALCASKDJFDEF-JTQLQIEISA-N 290.327 -0.062 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)c(O)c1 752994523 GCNJOUGVSMFNJH-UHFFFAOYSA-N 279.296 -0.014 50 20 CBGD O=C(CO)NNC(=O)CCCOc1cccnc1 753442584 JAWXTQCFGUJUOI-UHFFFAOYSA-N 253.258 -0.620 50 20 CBGD COC[C@@](C)(O)C(=O)NNc1nc(-c2ccncc2)no1 754968510 OXHQOHIGRKLTAI-GFCCVEGCSA-N 293.283 -0.028 50 20 CBGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)C(C)C 759690368 SKTHSXAKKJGCFG-UHFFFAOYSA-N 267.285 -0.334 50 20 CBGD CCN(CCO)CCNS(=O)(=O)CBr 768912413 WXGAFFXNLFLXMO-UHFFFAOYSA-N 289.195 -0.428 50 20 CBGD C[C@@H](NCC(=O)NNC(=O)C1CC1)C1CCOCC1 775457129 GAQJDYRBGYEVHI-SECBINFHSA-N 269.345 -0.052 50 20 CBGD CCn1cc(-c2n[nH]cc2C(=O)NNC(=O)CO)cn1 779405085 ZTFQWHHQMKGFAD-UHFFFAOYSA-N 278.272 -0.954 50 20 CBGD NC(=O)c1cccc(C(=O)NNC(=O)c2ccccn2)n1 781927789 GODPAXONCKWGAK-UHFFFAOYSA-N 285.263 -0.350 50 20 CBGD CN(NC(=O)CNC(=O)c1ccc(O)cc1)C(N)=O 782123855 KEXLNVDBTVDXBB-UHFFFAOYSA-N 266.257 -0.836 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CO[C@@H](C)C1 784277852 SJUMKMLKPXJGHP-CIUDSAMLSA-N 272.301 -0.100 50 20 CBGD COC(=O)N(C)NC(=O)[C@H]1CCCCN1S(C)(=O)=O 804125203 PVWPWWNGFCNKHS-MRVPVSSYSA-N 293.345 -0.470 50 20 CBGD C=CCCn1cc(C(=O)NNC(=O)N2CCOCC2)nn1 819193956 OYKXBEXVDCMYTL-UHFFFAOYSA-N 294.315 -0.459 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 823879379 KZYILNYYKLJFBL-VHSXEESVSA-N 257.334 -0.377 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CCc2cncn2C1 823884793 JYGWYFFHWCVVQY-JTQLQIEISA-N 252.318 -0.209 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnn(C)n1 843652497 BFZPLUAZTJCXEI-NKWVEPMBSA-N 253.262 -0.999 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)NCC1CC1 843972587 UXUCBWOFSGOWHJ-CBAPKCEASA-N 269.301 -0.915 50 20 CBGD COCCN(C)S(=O)(=O)NNC(=O)C(C)(C)C 844646088 IYTNLHIGZWJDEC-UHFFFAOYSA-N 267.351 -0.524 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@H]1CCCN1C=O 854287751 MQHPWTCTWOHIAV-SNVBAGLBSA-N 264.285 -0.593 50 20 CBGD CCC[C@H](C(=O)NN(C)CCOC)S(N)(=O)=O 854411944 ABQOCNNDOLFBKA-MRVPVSSYSA-N 267.351 -0.947 50 20 CBGD CO[C@@H]1C[C@@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1(C)C 858273799 HKABYMJJPRZCNE-IWSPIJDZSA-N 298.343 -0.591 50 20 CBGD CCCCNC(=O)NNC(=O)c1cc(O)ncn1 858777472 NWFWONGQKZWARJ-UHFFFAOYSA-N 253.262 -0.074 50 20 CBGD Cc1nnc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 860284502 YNXLQVGHMXHZDJ-RXMQYKEDSA-N 284.301 -0.722 50 20 CBGD N#Cc1cccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 861184632 NYRLXDBMEGBPKT-QMMMGPOBSA-N 288.267 -0.615 50 20 CBGD CC(C)c1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)no1 862457083 AREQRADUECJMJU-SSDOTTSWSA-N 280.284 -0.162 50 20 CBGD CC[C@H](C(=O)NNC(=O)CS(C)(=O)=O)N(CC)CC 863463060 CUECPPUTUNGBQF-SECBINFHSA-N 293.389 -0.701 50 20 CBGD C[C@@H](C[C@H]1CCOC1)NC(=O)c1cccc(B(O)O)c1 866585247 OTOMEHAXNKAAQJ-WDEREUQCSA-N 277.129 -0.089 50 20 CBGD COC(=O)N(C)NC(=O)NC[C@@]1(C)CCC(=O)N1 875655047 ZVOGZYROFRXEIK-SNVBAGLBSA-N 258.278 -0.433 50 20 CBGD O=C(CN1CCc2ncncc2C1)NNC(=O)C1CC1 880597468 XDADNUNCILZGPX-UHFFFAOYSA-N 275.312 -0.608 50 20 CBGD CN1CCO[C@@H](C(=O)NN(C)C(=O)OC(C)(C)C)C1=O 909935484 KEVOOVDOZCYMAY-QMMMGPOBSA-N 287.316 -0.258 50 20 CBGD CCOCC(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 912922032 ZMZOSIFECKCMLE-PHIMTYICSA-N 287.360 -0.330 50 20 CBGD COCCOCC(=O)NNC(=O)Cn1nc(C)cc1C 914881323 JISLFPXANWNXSK-UHFFFAOYSA-N 284.316 -0.690 50 20 CBGD C[C@@H](C(=O)NNC(=O)C1CCCC1)N1C(=O)CCC1=O 916049907 RQOWUWNCGBVUIF-QMMMGPOBSA-N 281.312 -0.139 50 20 CBGD CNC(=O)CCCC(=O)NNC(=O)c1c[nH]nc1C 1116705855 VYFNMZYYWIVGHO-UHFFFAOYSA-N 267.289 -0.605 50 20 CBGD O=C(C[C@@H]1CC(=O)N1)NNc1nc(-c2ccncc2)no1 1118575780 NKYWRUTUQANSRN-QMMMGPOBSA-N 288.267 -0.147 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnnn1C 1261498248 ZBVPZKBEUMMLBU-NKWVEPMBSA-N 253.262 -0.999 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C(=O)NC1CC1)C1CCOCC1 1319153338 RSIZPCGCVSWUJJ-MRVPVSSYSA-N 298.343 -0.590 50 20 CBGD Cc1nc2ccc(NC(=O)C(=O)NNC(=O)CO)cc2o1 1320532060 PZVQBEQDLTYQDD-UHFFFAOYSA-N 292.251 -0.786 50 20 CBGD Cn1ccc(NNC(=O)Cn2nc3ccccn3c2=O)n1 1320983344 ZOKVSFXSXCZWCO-UHFFFAOYSA-N 287.283 -0.627 50 20 CBGD O=C(NNC(=O)[C@]1(F)CCOC1)c1cccnc1 1323467177 YAGUXIUDDBLVGH-NSHDSACASA-N 253.233 -0.029 50 20 CBGD CS(=O)(=O)C1(C(=O)NNC(=O)CC(F)(F)F)CC1 1328691401 NIJXRJIYUUQHSR-UHFFFAOYSA-N 288.247 -0.337 50 20 CBGD CCN(CCO)NC(=O)c1c(Br)nnn1C 1329807410 RFLJVWCSWPNGMP-UHFFFAOYSA-N 292.137 -0.463 50 20 CBGD CCn1cc(S(=O)(=O)NNC(=O)c2cc[nH]n2)nc1C 1333144050 IOOYVLAHQYDCIR-UHFFFAOYSA-N 298.328 -0.442 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1nn(C)cc1Cl 1348099203 RXBPBWBKDJLSLH-UHFFFAOYSA-N 287.707 -0.641 50 20 CBGD CNNC(=O)[C@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1578744314 CDPOQQYNEPUQMZ-SECBINFHSA-N 285.344 -0.183 50 20 CBGD C[C@@H](CC(=O)O)NC(=O)NNC(=O)N=c1cc[nH]cc1 1589001571 MOICXDJMYGEEOR-ZETCQYMHSA-N 281.272 -0.298 50 20 CBGD C[C@H](NC(=O)NNc1ncccn1)C(=O)N(C)C 46969217 XLYXQDDMZLFPKR-ZETCQYMHSA-N 252.278 -0.421 50 20 CBGD CCNC(=O)NNC(=O)CNC(=O)Cc1ccccc1 49183432 BZPOHOZKAPLDCB-UHFFFAOYSA-N 278.312 -0.304 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CN1CCCCC1=O 97288248 BXEZYSLJNZXEND-UHFFFAOYSA-N 278.312 -0.201 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H](C)n2cncn2)[nH]n1 151170846 MOPXTRVQVAJKTF-ZETCQYMHSA-N 263.261 -0.668 50 20 CBGD COc1ccnc(NNC(=O)Cc2ccn(C)n2)n1 183075823 MYACOYOXYZDTQI-UHFFFAOYSA-N 262.273 -0.096 50 20 CBGD CNc1nnc(CC(=O)NNC(=O)c2cccn2C)s1 273614372 ZCCNZFLPQUIRFY-UHFFFAOYSA-N 294.340 -0.078 50 20 CBGD CC1=C(C(=O)NNC(=O)C(=O)N2CCCC2)SCCO1 287205504 CNNNVSDXHPFQIQ-UHFFFAOYSA-N 299.352 -0.249 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNc1nnc[nH]1 293810256 DZRHCDBPVIVRBU-UHFFFAOYSA-N 256.266 -0.228 50 20 CBGD COC(=O)NNC(=O)Cn1nc2n(c1=O)CCCCC2 376951645 WCODOOPDGOPLBH-UHFFFAOYSA-N 283.288 -0.842 50 20 CBGD C#CCN1CCC(C(=O)NNC(=O)c2c[nH]nc2C)CC1 490635328 GJKDPZZQWDIUMZ-UHFFFAOYSA-N 289.339 -0.176 50 20 CBGD CCO/C=C(/C#N)C(=O)NC[C@@](C)(O)C(=O)OCC 490907361 HFZUYCOWIBBSMV-ZVTBTPLYSA-N 270.285 -0.139 50 20 CBGD CC[C@H](C(=O)Nc1cccc(B(O)O)c1)N(C)C 584913506 YJPUSLQMUANQFD-LLVKDONJSA-N 250.107 -0.355 50 20 CBGD COC[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@H](C)O1 584979239 OIAIFAAIBITXOL-GWCFXTLKSA-N 293.128 -0.758 50 20 CBGD COCC[C@]1(NC(=O)c2cccc(B(O)O)c2)CCOC1 584983354 WHIAIUSVFSQJTA-AWEZNQCLSA-N 293.128 -0.708 50 20 CBGD CC(C)[C@H]1CN(C(=O)c2cccc(B(O)O)c2)CCN1 585010738 ORLGQDCESZQYCN-CYBMUJFWSA-N 276.145 -0.564 50 20 CBGD CC[C@@H](C)C[C@@H](CO)NCc1ccc(B(O)O)o1 585048473 QCFXVPWKYDMXRZ-ZJUUUORDSA-N 255.123 -0.154 50 20 CBGD CN(C)c1ccc([C@H]2C[C@@H]2C(=O)NCB(O)O)cc1 585060248 CIFCNAQIBMRHGA-NEPJUHHUSA-N 262.118 -0.016 50 20 CBGD CC(=O)CCC(=O)NNC(=O)CNC(=O)c1ccco1 725909126 DANXXYWHRFHQJL-UHFFFAOYSA-N 281.268 -0.474 50 20 CBGD CC[C@@H](C)NC(=S)NNC(=O)[C@H](C)NS(C)(=O)=O 728450472 ZDRRCFAFISKXRS-RQJHMYQMSA-N 296.418 -0.782 50 20 CBGD CC(C)N1CC[C@H](NC(=O)NNC(=O)c2ccc[nH]2)C1=O 734219282 QRQMFYJFYJWCPI-JTQLQIEISA-N 293.327 -0.032 50 20 CBGD O=C(Cn1cnc(C(=O)O)n1)NNC(=O)c1cccs1 739361561 MIWKHYWSXWELRT-UHFFFAOYSA-N 295.280 -0.501 50 20 CBGD CC(C)CC(=O)NNC(=O)NCCS(C)(=O)=O 746517649 ZYNNSLICXCDBJG-UHFFFAOYSA-N 265.335 -0.593 50 20 CBGD CC(CCO)=NNC(=O)N[C@H]1CCS(=O)(=O)C1 749857347 BZBXPSKTPKRUHD-QMMMGPOBSA-N 263.319 -0.769 50 20 CBGD NC(=O)C(=O)NN=C1C(=O)Nc2cccc(Cl)c21 750916660 QCDUNRIUSLBCIG-UHFFFAOYSA-N 266.644 -0.402 50 20 CBGD O=C(CCN1CCOCC1)NNC(=O)NC1CC1 751368077 GTIGZUWBLMOUEF-UHFFFAOYSA-N 256.306 -0.799 50 20 CBGD O=C(CO)NNC(=O)c1ccnn1C1CCCC1 753445219 WQEIXMHRBJZTMX-UHFFFAOYSA-N 252.274 -0.249 50 20 CBGD CCOCC(=O)NNC(=O)NCCc1ccn(C)n1 761010185 FZZFANCMLFPHKP-UHFFFAOYSA-N 269.305 -0.671 50 20 CBGD CCC[C@](C)(O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 770748600 SAEJKZISWFJVDQ-KCJUWKMLSA-N 292.357 -0.880 50 20 CBGD O=C(NCC(=O)N1CCOCC1)NNC(=O)C1CCCC1 776637167 ARLPEBNMKJOGLE-UHFFFAOYSA-N 298.343 -0.634 50 20 CBGD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NNc1ccccn1 779543389 BTPDRSAJCOBJFA-KCJUWKMLSA-N 278.312 -0.200 50 20 CBGD CC[C@H](C)CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 790491246 GAIGTKRDEIYSLC-IUCAKERBSA-N 291.373 -0.060 50 20 CBGD O=C(NN=C1CC(=O)N2CCCC[C@H]12)C(=O)N1CCCC1 799479565 WUKUWEZFVOENJJ-LLVKDONJSA-N 292.339 -0.134 50 20 CBGD COC[C@H](O)CNC(=O)NNC(=O)c1cccc(C#N)c1 801747226 ONTORRSXOYSHCB-LLVKDONJSA-N 292.295 -0.490 50 20 CBGD COCCN(C)NC(=O)c1ccnc2c(C(N)=O)cnn12 808074613 FVKPSZIJLYEGQF-UHFFFAOYSA-N 292.299 -0.949 50 20 CBGD Cn1ncc(C=NNC(=O)N2CCOCC2)c1N 814819551 DGQSDYXLXJXGPR-UHFFFAOYSA-N 252.278 -0.622 50 20 CBGD CCCS(=O)(=O)CC(=O)NNC(=O)CC1CC1 819126158 JHFOZJKSMZTLMC-UHFFFAOYSA-N 262.331 -0.241 50 20 CBGD Cc1nn(C)c(=O)c(C(=O)NN(C)[C@@H](C)CO)c1C 823946302 GXFULRAPZHWYTC-ZETCQYMHSA-N 268.317 -0.645 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCCCN1S(C)(=O)=O 823983365 RLYUHDNXSPWVGZ-VHSXEESVSA-N 293.389 -0.856 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@@H](C)OC[C@@H]1C 827332874 UHBRQFVMOCCUTB-VHSXEESVSA-N 257.334 -0.101 50 20 CBGD COC(=O)[C@H](NNC(=O)[C@H]1CCO[C@H]1C)C1CC1 843289733 XCCHDDVRCNDVJW-UJNFCWOMSA-N 256.302 -0.016 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](C)n1cncn1 843645022 QDJJKIPZGVRWTB-CIUDSAMLSA-N 267.289 -0.589 50 20 CBGD Cc1nnccc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843659656 IKIYBTCEVZLCNJ-PSASIEDQSA-N 264.285 -0.029 50 20 CBGD CN(C)CC(=O)NNC(=O)Cn1cc(C2CC2)cn1 857105275 IAXWDVMXNGQDAT-UHFFFAOYSA-N 265.317 -0.531 50 20 CBGD C[C@@H]1[C@H](NC(=O)NNC(=O)C(C)(C)C)CCS1(=O)=O 858207549 IMLCQYNCFAZUKC-HTQZYQBOSA-N 291.373 -0.062 50 20 CBGD Cc1cc(=NNC(=O)NC[C@H]2CN(C)CCN2C)cc[nH]1 875271865 QNBBKYVZBRDAJD-ZDUSSCGKSA-N 292.387 -0.316 50 20 CBGD CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NN(C)C(=O)OC 875437081 LRGMLIXOYGNDLF-YUMQZZPRSA-N 272.305 -0.187 50 20 CBGD CC[C@@H](CS(=O)(=O)NNC(=O)C1CCOCC1)OC 882804808 ZAPDIJDDGAKDPR-JTQLQIEISA-N 294.373 -0.211 50 20 CBGD CC1=C(C(=O)NN(C)C[C@@H](C)O)[C@@H](C)n2nnnc2N1C 910144807 NIXZIKDBBAKMAG-VXNVDRBHSA-N 295.347 -0.698 50 20 CBGD C=CCNC(=S)NNC(=O)CNC(=O)C1CC1 918687202 LXRKUAGZPJFVNV-UHFFFAOYSA-N 256.331 -0.806 50 20 CBGD CC(C)CC(=O)NNC(=O)c1cn(CC(=O)N(C)C)nn1 919926187 JCPPMUUOFSYNNE-UHFFFAOYSA-N 296.331 -0.827 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)NCC#CCO 923784894 CMJWTNQDERZQOT-UHFFFAOYSA-N 253.180 -0.735 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)c2cnn[nH]2)n1 1116507492 NNXQARMXTHPYPP-UHFFFAOYSA-N 254.641 -0.413 50 20 CBGD Cc1nnc2n1C[C@H](C(=O)NNC(=O)c1cn[nH]c1)CC2 1118943486 OMYRPLOJKIXDAQ-MRVPVSSYSA-N 289.299 -0.667 50 20 CBGD CNC(=O)NNC(=O)c1cc(S(=O)(=O)NC)oc1C 1252657082 MNXNXPDOWAUMOC-UHFFFAOYSA-N 290.301 -0.930 50 20 CBGD Cn1nnc(CNC(=O)NNC(=O)C(C)(C)C)n1 1256122215 DQKQSTXIRZDTBX-UHFFFAOYSA-N 255.282 -0.913 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1262628068 KOPBMANXXGCXOR-VPOLOUISSA-N 258.318 -0.618 50 20 CBGD COC(=O)CCCN1CCC(=NNC(=O)C(=O)OC)CC1 1318909561 MWSPRONIXXLQLU-UHFFFAOYSA-N 299.327 -0.319 50 20 CBGD COc1ccc(C(=O)NNc2nccn(C)c2=O)cn1 1319052911 PACIXNOZMSKNEX-UHFFFAOYSA-N 275.268 -0.059 50 20 CBGD O=C(CCO)NNC(=O)C(=O)Nc1cccc(Cl)c1 1321151245 DTRBGCJKOHMAKN-UHFFFAOYSA-N 285.687 -0.192 50 20 CBGD CC(=O)NCCNC(=O)NNC(=O)Cc1cccnc1 1322480829 WUWFZFVFYBWVLM-UHFFFAOYSA-N 279.300 -0.909 50 20 CBGD COC(OC)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1329805103 AOWGFIUJCMGKTO-MRVPVSSYSA-N 280.346 -0.902 50 20 CBGD Cn1nncc1NNC(=O)CCCN1C(=O)CCC1=O 1331393633 PLMQBKOGDRFGLG-UHFFFAOYSA-N 280.288 -0.813 50 20 CBGD CC[C@@H](O)[C@H](C)C(=O)NNC(=O)C1CCOCC1 1332330888 UEHPMGYSHUFHRD-WCBMZHEXSA-N 258.318 -0.033 50 20 CBGD Cc1cn2c(=O)c(C(=O)NN(C)C(N)=O)cnc2s1 1341910952 YEPXEWVNOGXOGY-UHFFFAOYSA-N 281.297 -0.280 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H](CO)C1CCCC1 1351351876 GTKSQHMXZHZAJK-SNVBAGLBSA-N 281.316 -0.095 50 20 CBGD C[C@H]1CC(=O)CC[C@H]1C(=O)NNC(=O)NCCN 1576588042 OQFVELJHHLFEDE-IONNQARKSA-N 256.306 -0.719 50 20 CBGD N[C@H]1CCCC[C@@H]1C(=O)NNC(=O)c1cnn[nH]1 1580176437 GLLUGOQJEJEHLS-BQBZGAKWSA-N 252.278 -0.917 50 20 CBGD CC(C)(CC(=O)O)CC(=O)NNC(=O)c1ncon1 1590635044 DABJVUSFKOEZNV-UHFFFAOYSA-N 270.245 -0.278 50 20 CBGD NC(=O)NN=C1CCCc2cc(-c3nn[nH]n3)cnc21 1592731887 UPBSYCXSPDAQAW-UHFFFAOYSA-N 272.272 -0.030 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1 1600674718 LWPQXKWERRPIQG-JISRMSBWSA-N 296.283 -0.643 50 20 CBGD C[C@H](C(=O)O)C(=O)NNC(=O)CNc1ccccc1 1609700955 JCSQUFIITHTDIQ-QMMMGPOBSA-N 265.269 -0.033 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CCCn1cncn1 58840311 KEEGCHBAAYBOIX-UHFFFAOYSA-N 276.300 -0.142 50 20 CBGD O=C(Cn1cc([N+](=O)[O-])cn1)NNC(=O)C1CCC1 111000304 LVQZQYKSSSUENJ-UHFFFAOYSA-N 267.245 -0.261 50 20 CBGD O=C(CO)NNC(=O)CCC(=O)c1cccs1 180958080 YLBNBHHBTWHZIU-UHFFFAOYSA-N 256.283 -0.149 50 20 CBGD COC(=O)NCCCC(=O)NNC(=O)c1cccn1C 264413311 GAUHWGIJOAAMJC-UHFFFAOYSA-N 282.300 -0.078 50 20 CBGD Cn1cnn(CC(=O)NNC(=O)NC2CCCCC2)c1=O 272260210 WXGJBTMTDGWTDP-UHFFFAOYSA-N 296.331 -0.755 50 20 CBGD CC(C)(O)C(=O)NNC(=O)COCC(F)(F)F 276299727 SQTXYRYOCYGSJT-UHFFFAOYSA-N 258.196 -0.516 50 20 CBGD Cc1ccnc(NNC(=O)[C@H]2CC[C@H](C(N)=O)O2)c1 287712274 KXBBXBNMLCHHSS-RKDXNWHRSA-N 264.285 -0.134 50 20 CBGD COC(=O)NC(C)(C)C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 294048604 YVQGICWIMIMDGT-YUMQZZPRSA-N 287.316 -0.164 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)C2=NN(C)C(=O)CC2)O1 294177310 JHWRFFRBPDZTAN-CBAPKCEASA-N 282.300 -0.691 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)[C@@H]2CCCO2)CC1 294588210 IBQSYIXNKCYIMJ-QMMMGPOBSA-N 270.285 -0.344 50 20 CBGD C[C@H]1[C@@H](C)OCCN1C(=O)c1cccc(B(O)O)c1 584962068 AEHGKUWSZPLDOK-VHSXEESVSA-N 263.102 -0.384 50 20 CBGD CC(C)C[C@H](CO)NC(=O)c1cc(B(O)O)ccc1F 584967406 UYZYCEAKWGTTGQ-SNVBAGLBSA-N 283.108 -0.358 50 20 CBGD CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccc(B(O)O)cc1 584969788 XKGRSUIIENVIRP-NWDGAFQWSA-N 290.128 -0.989 50 20 CBGD C[C@H]1[C@@H](CO)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584982199 MFFBFKUEUGVGRK-WCBMZHEXSA-N 281.092 -0.652 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCOC2)C1 584994215 DVBVQHCGGAHDST-UHFFFAOYSA-N 261.086 -0.771 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@@]12CCOC2 585000907 PPIBQIAJPPMTFJ-ZDUSSCGKSA-N 279.076 -0.490 50 20 CBGD NC(=O)CC1(CNCc2ccc(B(O)O)cc2F)CC1 585048303 NMGCMIJPSGEQOH-UHFFFAOYSA-N 280.108 -0.749 50 20 CBGD O=C1CCCCCN1CC(=O)N1CC[C@@H](B(O)O)C1 585074013 HQTLFTXDTUJHBZ-SNVBAGLBSA-N 268.122 -0.536 50 20 CBGD COCCn1ccc(NC(=O)NNC(=O)OC)n1 726079864 MJECSIJXPRRNIQ-UHFFFAOYSA-N 257.250 -0.078 50 20 CBGD CN1CCN(C)[C@H](CNC(=O)NNC(=O)C(C)(C)C)C1 732248041 QCXIOKJXRWEGKM-SNVBAGLBSA-N 285.392 -0.391 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)c(O)c1 752729157 GZPWZEXCFLRHTK-UHFFFAOYSA-N 277.280 -0.260 50 20 CBGD CSCCNC(=S)NNC(=O)C1(C(N)=O)CC1 770245412 NOQSSUOJGPOQOK-UHFFFAOYSA-N 276.387 -0.890 50 20 CBGD CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CC1 770746261 LNEPSMDSJKBKCC-MRVPVSSYSA-N 291.373 -0.492 50 20 CBGD C[C@@H]1CCN(S(=O)(=O)NNC(=O)c2ccc[nH]2)C1 777912076 MFVUQAUVZUWWGN-MRVPVSSYSA-N 272.330 -0.164 50 20 CBGD CN(NC(=O)CNC(=O)Nc1ccccc1)C(N)=O 778412040 MKPLZELLJNRYDA-UHFFFAOYSA-N 265.273 -0.150 50 20 CBGD COc1ccc(NNC(=O)[C@@H]2CCS(=O)(=O)C2)nc1 781525203 GAAHJXSHRBPNBS-MRVPVSSYSA-N 285.325 -0.032 50 20 CBGD Cn1cnn(CCC(=O)NNc2ncc(F)cn2)c1=O 815881593 SQNIUHQGOJDBLO-UHFFFAOYSA-N 281.251 -0.956 50 20 CBGD O=C(CC1CC1)NNC(=O)c1ccc2nnc(O)n2c1 819117682 CJPQZYHICVVIHN-UHFFFAOYSA-N 275.268 -0.004 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)N1CCCCC1 842591745 FCPZKGVYHSPSDA-VHSXEESVSA-N 291.373 -0.237 50 20 CBGD Cc1nc(SCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n[nH]1 843977065 FLDUNNWIKZKBJC-HTRCEHHLSA-N 299.356 -0.222 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)Cc1nnc(O)o1 852188325 HVJPDXZFVHCPJP-QMMMGPOBSA-N 299.331 -0.211 50 20 CBGD CC(C)C(=O)NNC(=O)CN(C)C[C@H]1COCCO1 852498428 HSBQTYGSTQEDII-JTQLQIEISA-N 273.333 -0.863 50 20 CBGD CC(C)C(=O)NNC(=O)CN(C)C[C@@H]1COCCO1 852498429 HSBQTYGSTQEDII-SNVBAGLBSA-N 273.333 -0.863 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2cncn2C1)c1cc[nH]n1 855355681 DQBDECHECANIAD-MRVPVSSYSA-N 274.284 -0.370 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)n1 858264290 FJOZUMVQGLQZAM-BDAKNGLRSA-N 279.300 -0.431 50 20 CBGD N#CC1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCCC1 862449487 GVRIAAZECLOATI-MRVPVSSYSA-N 264.285 -0.504 50 20 CBGD C[C@]1(C(=O)NNC(=O)CS(C)(=O)=O)CC=CCC1 863465696 IRDGNKJVPVGSGB-NSHDSACASA-N 274.342 -0.075 50 20 CBGD CCOC(=O)C1(C(=O)N2CC[C@H](B(O)O)C2)CC1 864230696 COMDNCGCQDBJOG-QMMMGPOBSA-N 255.079 -0.595 50 20 CBGD C[C@]1(C(=O)NNC(=O)NCC2CC2)CCNC1=O 874194425 OBTBWMBKVYNQKI-NSHDSACASA-N 254.290 -0.747 50 20 CBGD COCCN(C)NC(=O)Nc1ccn(C)c(=O)c1 879783837 BGFWHIUBHDMVDR-UHFFFAOYSA-N 254.290 0.000 50 20 CBGD Cc1ccnc2nc(C(=O)NN(C)C[C@@H](C)O)nn12 910173785 ASHKTUQYVIGMOX-MRVPVSSYSA-N 264.289 -0.610 50 20 CBGD C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 913730040 HUVIABQJEWVFFI-GWCFXTLKSA-N 295.339 -0.263 50 20 CBGD CC(C)CO[C@H](C)C(=O)NNC(=O)CN1CCCC1=O 920805905 VCUVLWYBTXUGNG-SNVBAGLBSA-N 285.344 -0.183 50 20 CBGD CN1CCN(C(=O)NNC(=O)CCNC(C)(C)C)CC1 935860600 QSTMBSCZFPPZPL-UHFFFAOYSA-N 285.392 -0.247 50 20 CBGD Cn1cnc(C(=O)NNc2ccccc2S(C)(=O)=O)n1 1117641440 XBLRQCXQZDUKIL-UHFFFAOYSA-N 295.324 -0.025 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCC(=O)C2)cn1 1118213156 DWONRGIUYVZYAQ-ZETCQYMHSA-N 250.258 -0.450 50 20 CBGD CNC(=O)NNC(=O)c1nc(-c2cnn(C)c2)oc1C 1252706490 IIZJTSSWIKREMR-UHFFFAOYSA-N 278.272 -0.043 50 20 CBGD O=C(CC[C@@H]1CCOC1)NNC(=O)C(=O)N1CCCC1 1319119625 JFSKBNOQKOASKK-SNVBAGLBSA-N 283.328 -0.427 50 20 CBGD CN(C)C(=O)NNC(=O)c1c([N+](=O)[O-])cnn1C 1319645570 HUOZGVIWYIYHPG-UHFFFAOYSA-N 256.222 -0.756 50 20 CBGD O=C(CCO)NNC(=O)C(=O)Nc1cccc2[nH]ccc12 1325519792 PUEZOKDDEAIDAG-UHFFFAOYSA-N 290.279 -0.364 50 20 CBGD NC(=O)c1ccc(NNC(=O)C[C@@H]2CCCC(=O)N2)nn1 1327419414 VEUSQLWCBZGDPB-ZETCQYMHSA-N 292.299 -0.923 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H](CCSC)NC(N)=O 1329035498 WHSDGQKKWRQLGJ-LURJTMIESA-N 293.418 -0.756 50 20 CBGD CCOc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)[nH]n1 1329338919 LBFWNMGXEREJKY-HTQZYQBOSA-N 282.300 -0.006 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccn1 1330109947 YNQNUFHARSUQAX-WPRPVWTQSA-N 276.296 -0.389 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNC(=O)OCC(F)(F)F 1334565600 JOMMXNMHNCKLFN-VKHMYHEASA-N 272.183 -0.637 50 20 CBGD COCc1ncc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 1335330009 QIQCTUHFTGRHTR-ZCFIWIBFSA-N 298.324 -0.671 50 20 CBGD C[C@@H]1CCOCCN1C(=O)NNC(=O)c1cn[nH]c1 1341414333 MUDPXNRESDZDPQ-MRVPVSSYSA-N 267.289 -0.125 50 20 CBGD O=C(O)CCOc1ccc(NC(=O)NNC(=O)CO)cc1 1602026728 VXXMOVZASYISPL-UHFFFAOYSA-N 297.267 -0.315 50 20 CBGD O=C(O)COCC(=O)NNC(=O)COc1ccccc1O 1602078293 VDMMLOVZZFNMJI-UHFFFAOYSA-N 298.251 -0.980 50 20 CBGD CS(=O)(=O)SCCNC(=O)[C@H]1CC(C(=O)O)=NO1 1604932032 MKFOAKBCUVOLIK-ZCFIWIBFSA-N 296.326 -0.975 50 20 CBGD C#CCOCCC(=O)NNC(=O)Cn1nc(C)cc1C 158953444 CNWDXLHXJBLACW-UHFFFAOYSA-N 278.312 -0.313 50 20 CBGD O=S1(=O)C[C@@H](Br)[C@@H](OC2COC2)C1 165691187 ABMHVCMPENWDBI-RQJHMYQMSA-N 271.132 -0.038 50 20 CBGD O=C1CC(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 270738353 FMUAEDKRJIHYOP-GFCCVEGCSA-N 290.275 -0.047 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCO[C@H](C(=O)NC)C1 273141701 UPYKRXPGGSAWRN-DDXVTDLHSA-N 267.285 -0.596 50 20 CBGD CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1cc(C)n[nH]1 285789983 KUTHZIPZTGMTHV-NSHDSACASA-N 293.327 -0.120 50 20 CBGD Cc1nc2ccc(NC(=O)NNC(=O)CN(C)C)cn2n1 289882387 ZRTMQVMOEGNTSJ-UHFFFAOYSA-N 291.315 -0.248 50 20 CBGD Cn1ccnc(NNC(=O)CNC(=O)OC(C)(C)C)c1=O 497103164 SLPPVNFNHRSEMA-UHFFFAOYSA-N 297.315 -0.252 50 20 CBGD CC(C)CNC(=O)CNC(=O)c1ccc(B(O)O)c(F)c1 584936827 OKJKQIFAQGIWOK-UHFFFAOYSA-N 296.107 -0.993 50 20 CBGD CN(C)CCCCNC(=O)c1ccc(B(O)O)cc1 584946726 ZJRGDLBIAQJFTD-UHFFFAOYSA-N 264.134 -0.562 50 20 CBGD O=C(NC[C@H]1CCC[C@@H](O)C1)c1cc(B(O)O)ccc1F 584950259 LGDRZGCFRSCOGN-GXSJLCMTSA-N 295.119 -0.214 50 20 CBGD Cc1nc(CN(C)C(=O)c2cc(B(O)O)ccc2F)no1 584970440 CGOVXFQNQWKHDM-UHFFFAOYSA-N 293.063 -0.531 50 20 CBGD C[C@H](O)[C@H]1CCCCN1C(=O)c1ccc(B(O)O)c(F)c1 584970886 IOQYGGVIDZJFJN-TVQRCGJNSA-N 295.119 -0.119 50 20 CBGD Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1cccc(B(O)O)c1 584987922 XURBMCHQYKVINV-ZDUSSCGKSA-N 299.139 -0.093 50 20 CBGD O=C(NC[C@@H](CO)C1CC1)c1cccc(B(O)O)c1 584990267 AFUGIOJTOVUWME-NSHDSACASA-N 263.102 -0.885 50 20 CBGD CN1CCCC[C@@H](CNC(=O)c2cccc(B(O)O)c2)C1 585009705 ADYZZUOTINAYEA-LBPRGKRZSA-N 290.172 -0.172 50 20 CBGD COc1ccc(COCCC(=O)NCB(O)O)cc1 585060677 WJNULQSMMUPOSA-UHFFFAOYSA-N 267.090 -0.270 50 20 CBGD O=C(CCc1ccc2c(c1)OCCO2)NCB(O)O 585061290 VDMIAHZENCRTPD-UHFFFAOYSA-N 265.074 -0.481 50 20 CBGD O=C(NCB(O)O)[C@H]1CCCN(CC(F)(F)F)C1 585061501 TTXZNDSQYXIPEB-ZETCQYMHSA-N 268.044 -0.611 50 20 CBGD C[C@@H]1COCCN1CCNC(=O)NNC(=O)C1CCC1 732464750 HYVXTDUAQCPQRT-SNVBAGLBSA-N 284.360 -0.162 50 20 CBGD COCCOc1ncccc1C(=O)NNC(=O)C(C)(C)O 768260518 DEAHSFOLWRVFNA-UHFFFAOYSA-N 297.311 -0.361 50 20 CBGD CSCCNC(=S)NNC(=O)CCn1cncn1 770240768 RCKFMPLCAYPWKM-UHFFFAOYSA-N 288.402 -0.474 50 20 CBGD Cn1ccc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)n1 778445132 FGTORWHRNZVQPU-UHFFFAOYSA-N 297.315 -0.294 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 786826673 GBUKGVDQFWGISQ-SFYZADRCSA-N 256.306 -0.372 50 20 CBGD CCc1nnc(O)c(C(=O)NNC(=O)C(C)(C)O)c1CC 787955353 YEUOTVAIOAALNS-UHFFFAOYSA-N 296.327 -0.161 50 20 CBGD CCCN(CC(N)=O)CC(=O)NNC(=O)c1cccs1 795480444 MTUXKDDICPTBRS-UHFFFAOYSA-N 298.368 -0.294 50 20 CBGD CC(=NNC(=O)C(N)=O)c1cccc(-n2ccnn2)c1 807944553 GFSHRLITKCCBJV-UHFFFAOYSA-N 272.268 -0.407 50 20 CBGD CNC(=O)NCCC(=O)NNc1ncncc1F 817081759 JCWXTMCMQILNEO-UHFFFAOYSA-N 256.241 -0.622 50 20 CBGD CN(NC(=O)[C@@H]1CCCN1S(C)(=O)=O)C1CC1 819643648 IQVPBULRWODJJR-VIFPVBQESA-N 261.347 -0.464 50 20 CBGD COC(=O)c1cn(CC(=O)NN(C)C2CC2)nn1 819648596 KHMOPLUWGMYQKK-UHFFFAOYSA-N 253.262 -0.810 50 20 CBGD CCO/C=C(/C#N)C(=O)Nn1cnn(CC)c1=O 820388769 WGHNDMKZYJHYTR-VURMDHGXSA-N 251.246 -0.421 50 20 CBGD CN(C)CC1(C(=O)NNC(=O)c2ccnnc2)CC1 823759153 SHWHOHKPQWXWRX-UHFFFAOYSA-N 263.301 -0.421 50 20 CBGD C[C@H](CO)N(C)NC(=O)/C(C#N)=C/c1cnn(C)c1 823917044 DDNGBNPYLUORBZ-VMDVGJCFSA-N 263.301 -0.329 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)c1ccc(C#N)cc1 824693492 GTYWULHMERNYKG-NSHDSACASA-N 277.280 -0.019 50 20 CBGD COC(=O)[C@@H](C)CN(C)CC(=O)NNC(=O)C(C)C 827426511 SHAFUBXKDSLRPE-VIFPVBQESA-N 273.333 -0.469 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1COC[C@H]1OCC 838720628 YLQXPFIPTFVMOC-RKDXNWHRSA-N 275.305 -0.843 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](C)N[C@@H](C)C1 843352325 YUMWDVYOTGQHFS-GUBZILKMSA-N 256.350 -0.386 50 20 CBGD O=C(NNC(=O)[C@]12CCC(=O)N1CCS2)c1cc[nH]n1 855362831 WHPNWBRHQOILJX-LLVKDONJSA-N 295.324 -0.764 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H](CO)C2CCCC2)N1 858700419 LJLBRHPNWJKXIN-ZJUUUORDSA-N 298.343 -0.854 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)NC[C@@H]2COCO2)cn1 861979161 ANOVJEGVQMNDOL-ACHGEACHSA-N 262.269 -0.184 50 20 CBGD Cc1ccn(C)c1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862461406 OXKBLLMUAHXNCA-MRVPVSSYSA-N 264.285 -0.627 50 20 CBGD Cn1ncc2c1CCCC2=NNC(=O)[C@@H]1CCC(=O)N1 863146183 UGGGHWIYBZPKPA-JTQLQIEISA-N 275.312 -0.145 50 20 CBGD C[C@H](C(=O)NNC(=O)CS(C)(=O)=O)c1ccccc1 863465009 PDRDWONJYYAQQQ-VIFPVBQESA-N 284.337 -0.018 50 20 CBGD CC[C@@H](C)N(CC(=O)OC)C(=O)c1cccc(B(O)O)c1 863882066 XBKXGGLFSUOEBR-SNVBAGLBSA-N 293.128 -0.220 50 20 CBGD O=C(NC[C@@H]1CCCOC1)c1cccc(B(O)O)c1 864953885 IEPHPXYJVHULMD-JTQLQIEISA-N 263.102 -0.477 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccnn1C(F)F 869903156 LJTGIDNTNUEGRW-UHFFFAOYSA-N 292.242 -0.298 50 20 CBGD O=C(Cc1ccccc1F)NNC(=O)CN1CCOC1=O 874447383 BYSTZEOPORZMQR-UHFFFAOYSA-N 295.270 -0.032 50 20 CBGD CC(C)CS(=O)(=O)CCC(=O)NN(C)C[C@H](C)O 910170603 NAFFDBPYOJACGU-JTQLQIEISA-N 280.390 -0.209 50 20 CBGD CC(C)C(=O)NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 913161133 FWLRIDDMHBOWDT-QMMMGPOBSA-N 253.302 -0.199 50 20 CBGD CCCNC(=O)NNC(=O)CCN1CCOCC1 915878386 ROSQCTWCSQGKRJ-UHFFFAOYSA-N 258.322 -0.551 50 20 CBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cnn[nH]1 918278212 ULXAVOHFUOEFLR-SNVBAGLBSA-N 289.251 -0.594 50 20 CBGD CN(C)CCn1cc(C(=O)NNC(=O)N(C)C)cn1 1118922071 NRGZVQICNRZKOO-UHFFFAOYSA-N 268.321 -0.639 50 20 CBGD O=S(=O)(CC[C@@H]1CCOC1)N1CC[C@H](B(O)O)C1 1118975944 SGYAIFIYKJUGLC-UWVGGRQHSA-N 277.151 -0.709 50 20 CBGD CC(C)(C(=O)NNc1ncc(F)cn1)S(C)(=O)=O 1253781562 CSBQGKICLYOUNU-UHFFFAOYSA-N 276.293 -0.118 50 20 CBGD Cn1cnnc1COCC(=O)NNC(=O)c1cccnc1 1261254301 HHZNFJCVUXQDPJ-UHFFFAOYSA-N 290.283 -0.812 50 20 CBGD C[C@@H](C(=O)NNC(=O)C(C)(C)C)N1C(=O)CCC1=O 1318261353 ASWHOURLXZBIPV-ZETCQYMHSA-N 269.301 -0.283 50 20 CBGD O=C(NNC(=S)NCc1ccon1)C(=O)N1CCCC1 1319192184 KOCFYLHSHLBHQZ-UHFFFAOYSA-N 297.340 -0.708 50 20 CBGD CC(C)C(=O)NNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 1319283729 IPMVOVCSXYJWFY-JGVFFNPUSA-N 272.305 -0.994 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)Nc1ccccn1 1323351034 XUKNQYAZRGHKKW-DTWKUNHWSA-N 292.295 -0.408 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C(C)(F)F 1324254114 RCHODDCGLMLNLJ-RQJHMYQMSA-N 298.311 -0.140 50 20 CBGD CN(C)C(=O)CNC(=O)C(=O)NNc1ccc(Cl)cn1 1327395318 NGMQXFNXCIIDCB-UHFFFAOYSA-N 299.718 -0.618 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC1=CCCCC1 1328211781 FXGWXNLTSKJLRC-UHFFFAOYSA-N 255.274 -0.010 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc[n+]1[O-] 1328567438 DXXDSQOWCMLJDB-RKDXNWHRSA-N 265.269 -0.494 50 20 CBGD CCn1nnc(C)c1C=NNC(=O)[C@@H]1CCC(=O)N1 1329109987 DPVLDRQEYNJDMI-QMMMGPOBSA-N 264.289 -0.665 50 20 CBGD CCc1cc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n[nH]1 1331058388 PYIUMAPJRUYYGC-VIFPVBQESA-N 294.315 -0.919 50 20 CBGD Cc1nc(CC(=O)NNc2ncncc2F)n[nH]1 1331164509 JERQRUZWPAZVOB-UHFFFAOYSA-N 251.225 -0.272 50 20 CBGD OB(O)c1ccc(CNCc2nc(C(F)F)no2)cc1 1333850447 NKKKGRAFMOPFGI-UHFFFAOYSA-N 283.043 -0.023 50 20 CBGD CC(=NNC(=O)C(=O)NC1CC1)c1csnn1 1343877394 BTXFOCQRACCLIW-UHFFFAOYSA-N 253.287 -0.343 50 20 CBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNc1cccnn1 1346734689 FDKADGIOMKJGOJ-ZJUUUORDSA-N 262.317 -0.692 50 20 CBGD CC(C)NC(=S)NNC(=O)CN1C(=O)CCC1=O 1350978896 DIDIIQCNDSVWTJ-UHFFFAOYSA-N 272.330 -0.961 50 20 CBGD Cn1cnc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c1 1549321361 RUDBUHSGMUNQLV-RYUDHWBXSA-N 277.328 -0.267 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CO[C@H](CCC(=O)O)C1 1573888058 OJDUKNVHRIXWTO-HTQZYQBOSA-N 273.289 -0.393 50 20 CBGD CC(C)(O)C(=O)NNC(=O)C1(C(F)(F)F)CCNCC1 1575378387 LULLZEWOGUCPTA-UHFFFAOYSA-N 297.277 -0.163 50 20 CBGD O=C(CSCc1cnn[nH]1)NNC(=O)c1ccnnc1 1577958610 JCAXMKKNOTXOQA-UHFFFAOYSA-N 293.312 -0.711 50 20 CBGD NCCC(=O)NNC(=O)CCc1nnc(C(F)F)o1 1580281854 VQSJVESRCCALBK-UHFFFAOYSA-N 277.231 -0.564 50 20 CBGD O=C(O)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)C1CC1 1601904227 CESWCJOYJMAZIJ-LLVKDONJSA-N 277.085 -0.651 50 20 CBGD CCN(CC(=O)NNC(=O)C(C)C)[C@@H](C)C(=O)O 1603724213 PXYQKXQNSHNIDG-QMMMGPOBSA-N 259.306 -0.415 50 20 CBGD CCOC(=O)[C@H](Cc1ccccc1)NNC(=O)C(=O)O 1605513001 JWNGLLFFFIWDCE-JTQLQIEISA-N 280.280 -0.134 50 20 CBGD Cn1nnc(C(=O)NNc2cccc(F)c2C(=O)O)n1 1608165823 RGYUMQDROFIWIL-UHFFFAOYSA-N 280.219 -0.196 50 20 CBGD O=C(O)CNC(=O)NN=C1C(=O)Nc2ccc(F)cc21 1608754201 OJJZHUNGXHHICI-UHFFFAOYSA-N 280.215 -0.134 50 20 CBGD O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC1 9889576 QDOGCZPAZLOOHG-UHFFFAOYSA-N 292.251 -0.366 50 20 CBGD Cc1nnc(NNC(=O)c2ccc3c(c2)OCO3)[nH]c1=O 11548070 FVNOLTOZYQXFEY-UHFFFAOYSA-N 289.251 -0.041 50 20 CBGD CCNC(=O)CNC(=O)NNC(=O)c1ccccc1 79268314 MFRYSJFTDGVPCN-UHFFFAOYSA-N 264.285 -0.233 50 20 CBGD O=C(CO)NNC(=O)c1noc2c1CCCCC2 121726855 LHDBUZPDRYPXCW-UHFFFAOYSA-N 253.258 -0.303 50 20 CBGD COc1ccc(C(=O)NNC(=O)CN(C)C)c(O)c1 263909963 KFDNZDBXBVSCEU-UHFFFAOYSA-N 267.285 -0.277 50 20 CBGD CC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cc(C)n[nH]1 270636177 JYJCRGFBVRXADE-JTQLQIEISA-N 279.300 -0.510 50 20 CBGD C#C[C@H](C)NC(=O)NNC(=O)CNC(=O)c1cccs1 275114367 SJRNAJZFUQRAAD-QMMMGPOBSA-N 294.336 -0.170 50 20 CBGD CC(C)n1nccc1C(=O)NNC(=O)C(C)(C)O 278072438 ZRMVSBPTVQSVJO-UHFFFAOYSA-N 254.290 -0.004 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@](C)(O)C1CC1 288561594 ZKNVHXNGJHYQJZ-LBPRGKRZSA-N 251.286 -0.053 50 20 CBGD CNS(=O)(=O)c1ccc(C(=O)NN(C)C(=O)OC)o1 495693461 ONONBQWFWUOJLP-UHFFFAOYSA-N 291.285 -0.469 50 20 CBGD C[C@@H](C(=O)Nc1cccc(B(O)O)c1)N1CCSCC1 584910792 DUDKMBNYJWZCEX-JTQLQIEISA-N 294.185 -0.258 50 20 CBGD CCC1(O)CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584953278 TXPFDMCPKFWFND-UHFFFAOYSA-N 277.129 -0.257 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 584954045 DRVFOYCCGNQCGE-XJFOESAGSA-N 287.124 -0.384 50 20 CBGD O=C(N[C@@H]1CCCCC[C@H]1O)c1cccc(B(O)O)c1 584990503 XUJNTBNLDWANTR-CHWSQXEVSA-N 277.129 -0.210 50 20 CBGD CC(C)(C)N1CC[C@H](NC(=O)c2ccc(B(O)O)cc2)C1 585008367 NDVHWBUXSDFFRW-ZDUSSCGKSA-N 290.172 -0.031 50 20 CBGD O=C(N[C@H](CO)C1CCC1)c1ccc(B(O)O)c(F)c1 585008758 RBGYLGAVJSZIRK-GFCCVEGCSA-N 281.092 -0.604 50 20 CBGD CCCN1CC[C@@H](CNCc2ccc(B(O)O)o2)C1 585018721 PZGXEJPNJHTIJK-NSHDSACASA-N 266.150 -0.219 50 20 CBGD CN1CCC[C@@H](CNCc2ccccc2B(O)O)C1 585023707 LESGRJSEVHXKRR-LBPRGKRZSA-N 262.162 -0.202 50 20 CBGD C[C@@H](CNCc1cccc(B(O)O)c1)[S@@](C)=O 585035334 SJFJGMIOIBUULL-HUTHGQBESA-N 255.148 -0.777 50 20 CBGD C[C@@H](Cc1cnn(C)c1)NCc1ccc(B(O)O)o1 585044809 VCFRPVJCLFLZCR-VIFPVBQESA-N 263.106 -0.586 50 20 CBGD CC[C@H](NCc1ccc(B(O)O)o1)[C@H](O)C(C)C 585047068 ZSWRJNCYSJMYAC-CMPLNLGQSA-N 255.123 -0.156 50 20 CBGD CCS(=O)(CC)=NS(=O)(=O)N1CC[C@@H](B(O)O)C1 585057477 VFHOJUIIVWEFDA-MRVPVSSYSA-N 298.195 -0.712 50 20 CBGD O=C(NCB(O)O)c1ccc(N2CCOCC2)c(F)c1 585061422 RSYGBBBJSVCOIP-UHFFFAOYSA-N 282.080 -0.596 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 728873511 XXBFGPIPRYIXFT-SNVBAGLBSA-N 272.264 -0.402 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCC(C(N)=O)CC1 732272148 KAZWJFXSWLCPCT-UHFFFAOYSA-N 284.360 -0.623 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCCn2cccn2)cn1 735446198 CVBQMBAFTUQESP-UHFFFAOYSA-N 276.300 -0.142 50 20 CBGD CN(C)C(=O)NNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 746003348 HNUOGZZRSTWISB-LBPRGKRZSA-N 297.315 -0.991 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C[C@@H]2SC(=N)NC2=O)o1 752781704 XEDODMPOWUMTMI-ZETCQYMHSA-N 296.308 -0.095 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1cccc2ccccc12 764420988 IISGBKQOPOGDTM-UHFFFAOYSA-N 287.275 -0.082 50 20 CBGD CCN1C[C@H](C(=O)NNc2nccnc2OC)CC1=O 764483563 FDPZRVFLEJMJAB-MRVPVSSYSA-N 279.300 -0.203 50 20 CBGD CCCNC(=O)NNC(=O)Cn1ccc(C)cc1=O 772151206 IYLBXXJWCYTHIQ-UHFFFAOYSA-N 266.301 -0.103 50 20 CBGD O=C(CO)NNC(=O)c1cccc(OC[C@H]2CCCO2)c1 777782973 ZOEVCFMFJBVAFS-GFCCVEGCSA-N 294.307 -0.002 50 20 CBGD CCNC(=O)NNC(=O)Cc1noc(C)c1C#N 779503718 UGVRZOXKAXNGCV-UHFFFAOYSA-N 251.246 -0.253 50 20 CBGD Cc1coc(C)c1C(=O)NNC(=O)C(=O)NC1CC1 785723678 ZSBAUUCXFVIWSL-UHFFFAOYSA-N 265.269 -0.064 50 20 CBGD COC(=O)[C@H]1CCN(CC(=O)NNC(=O)C2CC2)[C@@H]1C 787326831 WNVZIJILXOGNFQ-SCZZXKLOSA-N 283.328 -0.573 50 20 CBGD Cn1nnc(CNC(=O)NNC(=O)CC(C)(C)C)n1 787440148 IRHSQJKUIKXHLI-UHFFFAOYSA-N 269.309 -0.523 50 20 CBGD CN1C[C@H](NC(=O)NNc2nc3ccccn3n2)CC1=O 790419957 ANSAKKGEJRISJR-MRVPVSSYSA-N 289.299 -0.414 50 20 CBGD C[C@H]1COC(=O)C1=NNC(=O)C(=O)N1CCCC1 794900131 WGDSQOBAUXINJD-ZETCQYMHSA-N 253.258 -0.726 50 20 CBGD O=C(COCc1ccccn1)NNC(=O)N1CCOCC1 805172249 UBANRULDKOLCFE-UHFFFAOYSA-N 294.311 -0.329 50 20 CBGD COCCN(C)NC(=O)CCn1ccccc1=O 816562645 SYKOJSDUSQJWMD-UHFFFAOYSA-N 253.302 -0.152 50 20 CBGD O=C(CN1CCCC1)NNC(=O)[C@@H]1CCCCO1 823236711 DJNXDVPFRIYYMQ-JTQLQIEISA-N 255.318 -0.201 50 20 CBGD COCCn1ccc(C(=O)NN(C)[C@H](C)CO)n1 823934290 FFUVZKDRNXXLHZ-SECBINFHSA-N 256.306 -0.513 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1COCCN1C1CCCC1 823935331 PQJPMDCHVGLCAB-AAEUAGOBSA-N 285.388 -0.026 50 20 CBGD COC(=O)[C@@H]1CCN(CC(=O)NNC(=O)C(C)C)[C@@H]1C 829146234 JBNFHBSDZBCYCI-NXEZZACHSA-N 285.344 -0.327 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CN2CC[C@H](N)C2)cc1 843346557 OETXJEDCJDDDJB-LBPRGKRZSA-N 276.340 -0.211 50 20 CBGD Cc1ccn(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n1 843659578 JEVUALFCOVEAFR-ZJUUUORDSA-N 266.301 -0.236 50 20 CBGD CC1=NO[C@@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)C1 854516986 VXKXLJAVIUSQEJ-NXEZZACHSA-N 289.357 -0.357 50 20 CBGD C[C@H]1CCCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858696109 IXEKTBQEFINDEL-YUMQZZPRSA-N 254.290 -0.510 50 20 CBGD O=C(C[C@@H]1CC[C@@H]2C[C@H]12)NNC(=O)[C@H]1CCC(=O)N1 862461186 OEMPENDHFINKHG-XFWSIPNHSA-N 265.313 -0.151 50 20 CBGD O=C(CC1(O)CCCC1)NNC(=O)c1cn[nH]c1 862471743 NBUVNTSGXHVCRH-UHFFFAOYSA-N 252.274 -0.134 50 20 CBGD CCc1nn(C)cc1C(=O)NNC(=O)COCCOC 869907126 CDILZTABELXGEG-UHFFFAOYSA-N 284.316 -0.594 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1C[C@H]2COC[C@H]2C1 873052335 OHCVSNUOHQLUJJ-MMWGEVLESA-N 283.328 -0.270 50 20 CBGD CCOC(=O)NNC(=O)CNC(=O)N1CCCC1 899925788 MKRLFHBVAHYHLN-UHFFFAOYSA-N 258.278 -0.431 50 20 CBGD C[C@H](NCc1ccccc1B(O)O)[C@@H](C)C(=O)O 901444419 GOCUXYGMHBJNHV-BDAKNGLRSA-N 251.091 -0.435 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21 905099743 DUQPRGXZJUGEPD-CNUIFLNQSA-N 253.327 -0.107 50 20 CBGD C[C@]1(C(=O)N2CCO[C@@H](C(N)=O)C2)C[C@H]1Br 906469108 YJVIUNZADTWHKN-XSSZXYGBSA-N 291.145 -0.127 50 20 CBGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NNC(C)=O 920430417 RROUGUKEAWTFGN-JTQLQIEISA-N 291.373 -0.252 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCCN(CC)C1=O 925966922 XIVYCSJPTRZZEJ-SECBINFHSA-N 286.332 -0.636 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1253311552 FWFDVOLDJMNEHX-RKDXNWHRSA-N 290.341 -0.862 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCN(C(N)=O)C1 1261499629 QANBKIZPXARBRP-AEJSXWLSSA-N 298.343 -0.651 50 20 CBGD CCOC(=O)NNC(=O)CCC[C@@]1(C)NC(=O)NC1=O 1324184292 PBBFPNNPTYWQSB-LLVKDONJSA-N 286.288 -0.468 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccc(OC)cn1 1326578191 UIUJMYLFXJVYRW-UHFFFAOYSA-N 282.256 -0.906 50 20 CBGD CCn1ccc(CC(=O)NNC(=O)COCCOC)n1 1332146327 IEBVWXZDRSUTQA-UHFFFAOYSA-N 284.316 -0.744 50 20 CBGD Cc1nn(C)c(NC(=O)C(=O)NNC(=O)C(C)C)c1C 1337969552 RXISSICHKLJIIO-UHFFFAOYSA-N 281.316 -0.221 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccnc(C2CC2)n1 1338943889 TZEXJLMRVRCBFU-UHFFFAOYSA-N 291.311 -0.360 50 20 CBGD CC(C)[C@H](CO)NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1343607803 BJJVPRLKSIYSQD-AEJSXWLSSA-N 273.333 -0.241 50 20 CBGD COc1cc(CCC(=O)NNc2nc[nH]n2)on1 1351214519 AWYJGSOYNRXKGN-UHFFFAOYSA-N 252.234 -0.123 50 20 CBGD C[C@@H]1CC(=O)CC[C@H]1C(=O)NNC(=O)NCCN 1576588043 OQFVELJHHLFEDE-VXNVDRBHSA-N 256.306 -0.719 50 20 CBGD CCN1CC[C@@H]1C(=O)NNC(=O)[C@H]1CCCNC1 1577768278 XBPWHNWRIYBTSB-VHSXEESVSA-N 254.334 -0.772 50 20 CBGD COc1ccccc1NNC(=O)CN1CCNCC1=O 1579309824 PQHRNEANLKVCDX-UHFFFAOYSA-N 278.312 -0.430 50 20 CBGD CS(=O)(=O)c1cccc(NNC(=O)CON)c1 1579351922 ZCICMYHZXWTQHL-UHFFFAOYSA-N 259.287 -0.577 50 20 CBGD O=C(NNC(=O)[C@H]1CCCNC1)c1cc2ncccn2n1 1580733176 OOCXBYXERJMWLT-VIFPVBQESA-N 288.311 -0.510 50 20 CBGD CC(=NNC(=O)CN(C)C)c1cc(-c2nn[nH]n2)ccn1 1588775630 AIFJZFVAFDTQKB-UHFFFAOYSA-N 288.315 -0.337 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNc1ccc(C(=O)O)cn1 1596443560 AQOOOUDKXIAICQ-SNVBAGLBSA-N 294.311 -0.056 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CCC[C@H](O)[C@H]1C(=O)O 1605614896 ALTMVCSZWUVLCQ-OWSSEVEYSA-N 268.269 -0.133 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCC[C@H]1CC(=O)O 1605618704 NJOIGSXBOFYUNK-DTWKUNHWSA-N 287.316 -0.003 50 20 CBGD Cn1nc(NC(=O)c2ccc(B(O)O)cc2)cc1C(=O)O 1608151346 RQNOEVUWYKQUEC-UHFFFAOYSA-N 289.056 -0.950 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)c2cccnc2)CC1=O 44293531 GDWHTGOGVYFOPH-VIFPVBQESA-N 276.296 -0.289 50 20 CBGD C[C@H](NC(=O)NNC(=O)C(C)(C)C)C(=O)N(C)C 79482287 QQMITEWIQNGNEC-ZETCQYMHSA-N 258.322 -0.160 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CNC(=O)C(C)(C)C 110762120 LMKPMXQDQLHWNV-UHFFFAOYSA-N 281.316 -0.359 50 20 CBGD CCCc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)[nH]n1 132231723 FHUSIJUKOMGSFF-UHFFFAOYSA-N 293.327 -0.254 50 20 CBGD C[C@H](C(=O)NNC(=O)c1ccc(C#N)cc1)S(C)(=O)=O 142404271 FZHNBCYQGQWALD-MRVPVSSYSA-N 295.320 -0.248 50 20 CBGD O=C(O)C[C@H](NS(=O)(=O)CBr)C(=O)O 275318833 SACGCVHQXXDNNU-VKHMYHEASA-N 290.091 -0.814 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CNc1ccccc1[N+](=O)[O-] 276228028 JFULBIFFLKZKAH-UHFFFAOYSA-N 296.283 -0.075 50 20 CBGD COCc1ncc(C(=O)NNC(=O)C(C)(C)O)s1 286651328 BZSKJJLUAABYTA-UHFFFAOYSA-N 273.314 -0.179 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCO1)c1cnc(O)c([N+](=O)[O-])c1 294775548 YOFSKLXAGTVZFI-QMMMGPOBSA-N 296.239 -0.365 50 20 CBGD CC(=O)NNC(=O)Cn1cc(Br)cn1 299229945 QCHSQPQJLQFHDC-UHFFFAOYSA-N 261.079 -0.187 50 20 CBGD COC(=O)NNC(=O)CNC(=O)c1ccccc1 490538263 DTSLLTBRCYIFQQ-UHFFFAOYSA-N 251.242 -0.196 50 20 CBGD CC(C)C[C@H](O)CNC(=O)c1ccc(B(O)O)c(F)c1 584959719 KLTBNOIJVIJELI-JTQLQIEISA-N 283.108 -0.358 50 20 CBGD NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(B(O)O)cc1 584961330 QPDRWOUIBQUSHP-VXGBXAGGSA-N 290.128 -0.860 50 20 CBGD O=C(N[C@H]1CCCC[C@@H]1O)c1ccc(B(O)O)c(F)c1 584965836 UJHPUWOUMMTSHS-RYUDHWBXSA-N 281.092 -0.461 50 20 CBGD CC(C)C[C@H](CO)CNC(=O)c1ccc(B(O)O)cc1 584985679 OIOPWXDARYCOQV-NSHDSACASA-N 279.145 -0.249 50 20 CBGD CC[C@H]1COC[C@H]1NC(=O)c1ccc(B(O)O)cc1 585008515 WFSRPKXZNIZSLG-JOYOIKCWSA-N 263.102 -0.479 50 20 CBGD C[C@@H]1CN(C)CC[C@H]1NCc1cccc(B(O)O)c1 585022175 KJNYCMXOSFEXMF-BXUZGUMPSA-N 262.162 -0.204 50 20 CBGD OB(O)c1ccccc1CNCCc1nncn1C1CC1 585025068 LBAARFZRQAQJIN-UHFFFAOYSA-N 286.144 -0.375 50 20 CBGD OB(O)c1ccc(CNC[C@@H](O)C2CCOCC2)c(F)c1 585028124 HYNXRYICLPCXIP-CQSZACIVSA-N 297.135 -0.617 50 20 CBGD C[C@@H](NCc1cccc(B(O)O)c1)[C@@H]1CN(C)CCO1 585028431 KCHHFMKKCSCISV-RISCZKNCSA-N 278.161 -0.825 50 20 CBGD OCCCN1CCC[C@H](NCc2cccc(B(O)O)c2)C1 585043179 IPJHRPYMJPNJNN-HNNXBMFYSA-N 292.188 -0.697 50 20 CBGD O=C1C[C@H](CNCc2ccc(B(O)O)cc2)CN1C1CC1 585045435 HXMNUURAOFFOMW-GFCCVEGCSA-N 288.156 -0.533 50 20 CBGD CC(CS(C)(=O)=O)=NNC(=O)CN1CCCC1=O 732527999 CCOBWRZXYFRXFF-UHFFFAOYSA-N 275.330 -0.855 50 20 CBGD C[C@@H](C(=O)NNC(=O)NC1CCCC1)N1CCN(C)CC1 732911468 BHTQYPICWWXSAJ-NSHDSACASA-N 297.403 -0.105 50 20 CBGD CCC[C@@H](C)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 733140984 QVCLXKVIRKBIKM-RKDXNWHRSA-N 291.373 -0.060 50 20 CBGD CC(C)C(=O)NNC(=O)[C@@H](NS(C)(=O)=O)C(C)C 733250930 JEDVXNUATCTHIS-QMMMGPOBSA-N 279.362 -0.636 50 20 CBGD COC[C@H](NC(=O)NNC(=O)C(=O)NC1CC1)C(C)C 745850296 UNWVNJARAFFEQQ-VIFPVBQESA-N 286.332 -0.734 50 20 CBGD Cn1ccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 749859287 ONVCWMJVBMWYJY-JTQLQIEISA-N 269.326 -0.090 50 20 CBGD COCCOCCS(=O)(=O)NNC(=O)NC(C)C 754750073 KSBXUSKKAOYCOH-UHFFFAOYSA-N 283.350 -0.809 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(N(C)C)cc1 764299033 AWIICEPGDVIZGB-UHFFFAOYSA-N 294.311 -0.515 50 20 CBGD COC(=O)c1ccccc1CC(=O)NNC(=O)C(C)(C)O 768256466 QDHXJFYFXBCQFN-UHFFFAOYSA-N 294.307 -0.066 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@](C)(O)C(C)C 772367028 UMTYLJYSWGIYDA-PRHODGIISA-N 274.317 -0.118 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN(C)C(=O)[C@H]1C 778259126 AXDJVEXPCWKGHP-WDEREUQCSA-N 298.387 -0.269 50 20 CBGD COC(=O)CNC(=O)NN=C(C)c1cc(C(N)=O)n(C)c1 779821495 YCAVTMDZNYRITI-UHFFFAOYSA-N 295.299 -0.680 50 20 CBGD NC(=O)c1cccc(C(=O)NN=c2cc[nH]cc2)n1 782046750 SURAUTJKNLKNCE-UHFFFAOYSA-N 257.253 -0.246 50 20 CBGD CC(C)C(=O)NNC(=O)NCC1(S(C)(=O)=O)CC1 793254833 LNQKGFQEFWHXBB-UHFFFAOYSA-N 277.346 -0.450 50 20 CBGD CC(COC(C)C)=NNC(=O)[C@@H](C)NS(C)(=O)=O 799879073 OLUAZLOTCMAFML-SECBINFHSA-N 279.362 -0.159 50 20 CBGD C[C@@H](C(=O)NNC(=O)N=c1cc[nH]cc1)n1cncn1 802027178 VUXQDDFAQASIOJ-QMMMGPOBSA-N 275.272 -0.491 50 20 CBGD CNC(=O)NN=Cc1ccc(F)c(S(N)(=O)=O)c1 807964892 AETVDCVUXCAJHK-UHFFFAOYSA-N 274.277 -0.264 50 20 CBGD COc1cnc(C(=O)NNC(=O)c2cccn2C)nc1 814795883 OLFVQRNWTRXAIJ-UHFFFAOYSA-N 275.268 -0.102 50 20 CBGD O=C(CC1CC1)NNC(=O)c1ccc2nnnn2c1 819136083 LIVPAHKEXQGFGR-UHFFFAOYSA-N 260.257 -0.315 50 20 CBGD C[C@H](CC(=O)NNC(=O)C(C)(C)O)n1cccn1 819508694 RFKRFQSOAJDVLA-MRVPVSSYSA-N 254.290 -0.248 50 20 CBGD C[C@@]1(C(=O)NNc2ncc(F)cn2)CCNC1=O 821378559 PJRBPEXDCZHXAL-SNVBAGLBSA-N 253.237 -0.415 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCOC[C@H]1C1CC1 828557081 YQJBGSDEDKQCTE-NSHDSACASA-N 269.345 -0.099 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCc2cncn2C1 832754226 FXEPOIFHHRVMBS-QMMMGPOBSA-N 266.301 -0.636 50 20 CBGD COCC1(CC(=O)NNC(=O)C(=O)N2CCCC2)CC1 843779917 FKIUERNGIIVPBU-UHFFFAOYSA-N 283.328 -0.427 50 20 CBGD Cc1nonc1CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 846276853 YFTHOTVZEZRYFY-JGVFFNPUSA-N 268.273 -0.507 50 20 CBGD O=C(Cn1[nH]cc2c(=O)ncnc1-2)NCC(Cl)Cl 848384408 LAPVCMHNFKANIM-UHFFFAOYSA-N 290.110 -0.009 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@H]2NC(=O)CC[C@@H]2C1 852497369 VFYMGTXEYKPMRE-GHMZBOCLSA-N 296.371 -0.610 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=S)N[C@H](C)C2CC2)C1 855099639 KHAMEPZLHJGDML-SSDOTTSWSA-N 284.385 -0.242 50 20 CBGD COc1cc(NC(=O)NNC(=O)CN)cc(OC)c1 857763100 PNQVGOJLBVKSIF-UHFFFAOYSA-N 268.273 -0.185 50 20 CBGD C[C@@H](COCC1CC1)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858588649 LOELKLAWKFBGPO-WCBMZHEXSA-N 298.343 -0.590 50 20 CBGD C[C@H](NNC(=O)C1=NN(CCO)C(=O)CC1)C(F)(F)F 862316539 PWOKPTYJDIYMEU-LURJTMIESA-N 296.249 -0.471 50 20 CBGD C[C@@H]1CC[C@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 862460002 CULQLYDMDVGKFJ-HRDYMLBCSA-N 253.302 -0.151 50 20 CBGD COCCC(COC)=NNC(=O)[C@H]1CCC(=O)N1 863150506 WEOLPTWRZPZTPL-SECBINFHSA-N 257.290 -0.580 50 20 CBGD CCC[C@H](NNC(=O)[C@@H]1CCC(=O)N1)C(=O)OCC 863378704 JAVZPNJBSAKFBA-IUCAKERBSA-N 271.317 -0.382 50 20 CBGD CCOC(=O)CN(CC)C(=O)c1cccc(B(O)O)c1 863872856 NMBAFQPRNMQJIL-UHFFFAOYSA-N 279.101 -0.608 50 20 CBGD CC(C)S(=O)(=O)CCNCc1ccccc1B(O)O 863889958 KYFXJRRIAYMAED-UHFFFAOYSA-N 285.174 -0.721 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@@H](O)C1)c1ccc2c(c1)OCO2 873751762 WEIKLIUJPXOVER-DTORHVGOSA-N 278.264 -0.053 50 20 CBGD CCCCCS(=O)(=O)CC(=O)NN(C)C[C@@H](C)O 910166066 RPMIQEQZOOMRPR-SNVBAGLBSA-N 280.390 -0.065 50 20 CBGD CC(C)S(=O)(=O)CC(=O)NN(C)C[C@H](C)O 910168898 UDACQCSPNVAIIV-QMMMGPOBSA-N 252.336 -0.847 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCCCC[C@@H]1CO 911947460 SJFVWTFVZNPQDQ-LLVKDONJSA-N 295.119 -0.117 50 20 CBGD CCO/C=C(/C#N)C(=O)NCCN1CCC2(C1)OCCO2 912896422 FKNBORKLUFMGTK-BENRWUELSA-N 295.339 -0.005 50 20 CBGD COC(=O)N(C)NC(=O)N(C)[C@H]1CCS(=O)(=O)C1 1118382143 UBPZHHWMNHPXBT-ZETCQYMHSA-N 279.318 -0.572 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CCc2nnn(C)c2C1 1118712523 CIBPPQRVHPXTNZ-ZETCQYMHSA-N 282.373 -0.613 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H](C)C[S@@](C)=O 1254637843 PVGJLUMGVJMEOF-BWKAKNAASA-N 265.335 -0.880 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)CN1CCCNC1=O 1318503851 VMNMGXCZZYUHSH-UHFFFAOYSA-N 291.311 -0.813 50 20 CBGD C[S@](=O)CCNC(=O)NNC(=O)c1ccc(C#N)cc1 1318540559 YERGLXDTOUYMES-FQEVSTJZSA-N 294.336 -0.119 50 20 CBGD CN(NC(=O)c1csc(S(N)(=O)=O)c1)C(N)=O 1320143781 VLZRFSTUAZNEOJ-UHFFFAOYSA-N 278.315 -0.949 50 20 CBGD C[C@@H](Oc1cccc(C=NNC(=O)C(N)=O)c1)C(=O)O 1320771882 CKWAIOZCWMHEJP-SSDOTTSWSA-N 279.252 -0.526 50 20 CBGD O=C(NNc1nccc(N2CCOCC2)n1)c1nc[nH]n1 1323622246 XLCDCPJDFOZCLB-UHFFFAOYSA-N 290.287 -0.812 50 20 CBGD CS(=O)(=O)CCCCNC(=O)NNc1ccncn1 1326212464 XIVMEPUEIIVRIT-UHFFFAOYSA-N 287.345 -0.073 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCCS(C)(=O)=O 1328553097 YNRPICYZLFFHMT-IUCAKERBSA-N 292.357 -0.616 50 20 CBGD O=C(c1cnc2nccn2c1)N1CC[C@@H](B(O)O)C1 1330262160 LPRUPITZHQAEIO-SECBINFHSA-N 260.062 -0.582 50 20 CBGD CNC(=O)NNC(=O)c1ccc(OC)c(-n2cnnn2)c1 1337536274 XSJBSRRFMKXDTF-UHFFFAOYSA-N 291.271 -0.755 50 20 CBGD CS/C=C\C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1340035210 OUFGVNLRGZOGNW-ZZZKRKDRSA-N 278.355 -0.555 50 20 CBGD Cc1cnc(Cl)c(NC(=O)C(=O)NNC(=O)CO)c1 1343437844 ZEAJZWSPNVQEKX-UHFFFAOYSA-N 286.675 -0.878 50 20 CBGD COCCOc1ccc(C=NNC(=O)C(=O)OC)o1 1352727607 XDAGDQXKVIMKJZ-UHFFFAOYSA-N 270.241 -0.072 50 20 CBGD Cn1nncc1C1(O)CN(C(=O)C2CC(Cl)C2)C1 1548787170 KERHBDOVWNSTSJ-UHFFFAOYSA-N 270.720 -0.138 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCNCC1(C)C 1578100634 ZFWGYLWXAQUERR-SECBINFHSA-N 272.349 -0.259 50 20 CBGD C[C@H](CC(N)=O)C(=O)NNc1ccc(C(=O)O)cn1 1592453546 WUCFBCIMBDALPQ-ZCFIWIBFSA-N 266.257 -0.266 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](C)[C@](C)(C(=O)O)C1 1594712252 DGXBUCGETIAKFI-VYUIOLGVSA-N 285.344 -0.025 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)CCCC(=O)O 1596462795 FPDKWZZNFLEYQT-UHFFFAOYSA-N 267.307 -0.653 50 20 CBGD Cn1cc(NC(=O)C(=O)NNC(=O)C2CC2)cc1C(=O)O 1600960077 IOCPVZHJFNKJGL-UHFFFAOYSA-N 294.267 -0.781 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CC1)C(=O)Nc1ccccn1 1605814606 KCCAGAMHYACIDV-UHFFFAOYSA-N 292.251 -0.968 50 20 CBGD C=CCOC(=O)/C(C#N)=C/c1cn(C)c(=O)n(C)c1=O 25251629 HVVUBDOPPNVIOW-RMKNXTFCSA-N 275.264 -0.280 50 20 CBGD CCOC(=O)NNC(=O)Cc1ccc(-n2cnnn2)cc1 48119002 AZHCSKATTNYVEG-UHFFFAOYSA-N 290.283 -0.018 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@@H]1CCCO1 48502471 KGJCMCYDSWCNJM-QMMMGPOBSA-N 257.290 -0.773 50 20 CBGD CCCCNC(=O)NNC(=O)Cn1ccccc1=O 49143845 SSOOUAKNBCOSNO-UHFFFAOYSA-N 266.301 -0.021 50 20 CBGD CC(=O)NCC(=O)NNC(=O)CNc1ccc(C)cc1 192741211 BQJMHVGLJAXINI-UHFFFAOYSA-N 278.312 -0.310 50 20 CBGD CN(C)C(=O)NNC(=O)CNC(=O)c1cccs1 194507757 LARCFBSFCYZOSM-UHFFFAOYSA-N 270.314 -0.220 50 20 CBGD COC(=O)NNS(=O)(=O)c1cc(C(=O)OC)c(C)o1 267495843 FNWDNHQGCLNYAK-UHFFFAOYSA-N 292.269 -0.076 50 20 CBGD CCc1[nH]ccc1C(=O)NNC(=O)C(=O)N1CCCC1 286037482 QGCQMOFQKVGGAA-UHFFFAOYSA-N 278.312 -0.040 50 20 CBGD COCCN(C)NC(=O)c1ccc(C(N)=O)cn1 288534998 OMUVPOBYLWCZIJ-UHFFFAOYSA-N 252.274 -0.597 50 20 CBGD COC(=O)[C@H]1CC[C@@H](C(=O)NNc2ncccn2)O1 289493770 PHJFTJPUFHQSDJ-JGVFFNPUSA-N 266.257 -0.360 50 20 CBGD CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1cccn1C 299439165 CYPFUWMPQNIQBR-LLVKDONJSA-N 278.312 -0.203 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCc2nncn2C1 584911743 MIVIVFIKZKUWJO-SECBINFHSA-N 286.100 -0.841 50 20 CBGD CN1CCC(N(C)C(=O)c2ccc(B(O)O)cc2)CC1 584923265 GBHYDFZPNXPWOY-UHFFFAOYSA-N 276.145 -0.467 50 20 CBGD CC(C)OCCCNC(=O)c1ccc(B(O)O)cc1 584924732 LMINRHMMNBVWJQ-UHFFFAOYSA-N 265.118 -0.089 50 20 CBGD C[C@@]1(CNC(=O)c2cccc(B(O)O)c2)CCOC1 584946039 OUPSQSAKJYIYFO-ZDUSSCGKSA-N 263.102 -0.477 50 20 CBGD CC(C)(O)CSCCNC(=O)c1ccc(B(O)O)cc1 584950291 XONSNQDYWDIXLT-UHFFFAOYSA-N 297.185 -0.400 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCCOCC12CC2 584989177 YYRWBJDOSMZXQW-UHFFFAOYSA-N 293.103 -0.099 50 20 CBGD CC(C)(CNC(=O)c1cc(B(O)O)ccc1F)OCCO 584989703 IFXPVXGZCCXJTL-UHFFFAOYSA-N 299.107 -0.977 50 20 CBGD CO[C@H](C)[C@@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584991535 ZXEMURSECYCAKG-HTQZYQBOSA-N 269.081 -0.341 50 20 CBGD C[C@H](CN1CCOCC1)NCc1ccc(B(O)O)cc1 585016260 URLNYQPEXTVZAY-GFCCVEGCSA-N 278.161 -0.823 50 20 CBGD OB(O)c1ccccc1CNCCCn1cccn1 585017536 CJWBKEZDIGFUJV-UHFFFAOYSA-N 259.118 -0.257 50 20 CBGD OC[C@@H](CNCc1ccc(B(O)O)o1)Cc1ccco1 585028218 HAVJIDJZXPFPBA-SNVBAGLBSA-N 279.101 -0.507 50 20 CBGD C[C@@H]1CCC[C@]1(O)CNCc1ccc(B(O)O)o1 585042989 IWYNORTYGCDLRA-SKDRFNHKSA-N 253.107 -0.400 50 20 CBGD Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NCB(O)O)C2=O 585055458 BBTPQCUOIJKQFL-MRVPVSSYSA-N 290.084 -0.892 50 20 CBGD O=S(=O)(NCB(O)O)c1ccccc1OC(F)F 585055871 KXMUVNCEUCTHKU-UHFFFAOYSA-N 281.045 -0.422 50 20 CBGD O=S(=O)(CCc1ccc2c(c1)CCO2)NCB(O)O 585059314 IYVPPYKOXLNHNJ-UHFFFAOYSA-N 285.130 -0.905 50 20 CBGD O=S(=O)(CC12CCC(CC1)CC2)NCB(O)O 585059418 MUSCFABVGIBSOB-UHFFFAOYSA-N 261.152 -0.112 50 20 CBGD Cc1cccc2c(=O)c(C(=O)NCB(O)O)c[nH]c12 585072376 AHQWMSHVWHXLLN-UHFFFAOYSA-N 260.058 -0.422 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccncc1 728437072 WZTZTZHJZZUQMV-SECBINFHSA-N 284.341 -0.141 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)/C=C/c1cnn(C)c1 732084095 KTUOOXBQADZNOU-ONEGZZNKSA-N 274.284 -0.074 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)CNc2ccccc2)CC1 732262504 ALKMZEFUOGCLRZ-UHFFFAOYSA-N 276.296 -0.489 50 20 CBGD CC(C)[C@H](NC(=O)O)C(=O)NNC(=O)NC1CC1 736373871 GYIMMCPTQCQLMX-ZETCQYMHSA-N 258.278 -0.229 50 20 CBGD COCCOCC(C)=NNC(=O)C(=O)N1CCCC1 741162184 AUKOEGWADMTTPZ-UHFFFAOYSA-N 271.317 -0.236 50 20 CBGD CC(C)C(=O)NNC(=O)C(C)(C)NS(C)(=O)=O 742033688 ANNLKUFUMXXOGM-UHFFFAOYSA-N 265.335 -0.882 50 20 CBGD NC(=O)CCCC(=O)NNC(=O)c1ccc2c(c1)OCO2 746344657 YNOVFOWFCQDKAN-UHFFFAOYSA-N 293.279 -0.168 50 20 CBGD COc1ncnc(N)c1C=NNC(=O)CN(C)C 747630248 LIRXELCPIRBWEJ-UHFFFAOYSA-N 252.278 -0.921 50 20 CBGD CCOCCCNC(=S)NNC(=O)C(=O)NC1CC1 747756501 JGHPDWUASHIBLT-UHFFFAOYSA-N 288.373 -0.813 50 20 CBGD O=C(NC[C@@H]1CCCCO1)NNC(=O)C(=O)N1CCCC1 748459898 FPGKGVGZEXKDCY-JTQLQIEISA-N 298.343 -0.492 50 20 CBGD O=C(CO)NNC(=O)Nc1nnc(C(F)(F)F)s1 755482649 AALXVDJGMDCWNT-UHFFFAOYSA-N 285.207 -0.298 50 20 CBGD COc1ccccc1C(=O)NNC(=O)N=c1nc[nH]n1C 757763232 ZMOASNMJTLCPSH-UHFFFAOYSA-N 290.283 -0.288 50 20 CBGD C[C@@H](CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C1CC1 758043648 JBHKXFVJLPPYJM-JGVFFNPUSA-N 291.373 -0.492 50 20 CBGD COc1cccc(C(=O)NNC(=O)C(C)(C)C(N)=O)c1O 769904569 KWNJVISJUUYYHQ-UHFFFAOYSA-N 295.295 -0.327 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCN(C)C2=O)o1 773273912 RTACQACSHQZIDN-QMMMGPOBSA-N 265.269 -0.173 50 20 CBGD COc1nc(C)ccc1C(=O)NNC(=O)C(=O)NC(C)C 777278559 JKTMJALJERNDDG-UHFFFAOYSA-N 294.311 -0.316 50 20 CBGD COc1cccc(C(=O)NNC(=O)CO)c1OC 777782024 MULWYZOYNJKYJS-UHFFFAOYSA-N 254.242 -0.543 50 20 CBGD CC(C)C[C@@H](C(=O)NNC(=O)CO)N1CCCCC1=O 777782686 JXAFTVABGNPOTA-JTQLQIEISA-N 285.344 -0.447 50 20 CBGD C[C@@H]1CC[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1 780795119 WRYIMSMGJPGJNA-VXNVDRBHSA-N 268.317 -0.216 50 20 CBGD COc1cc(NC(=O)NNC(=O)CO)ccc1F 782091975 AWPXZWOCLFOCST-UHFFFAOYSA-N 257.221 -0.021 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1ccc(Cl)cn1 785723130 NTVFSJBWUOMWST-UHFFFAOYSA-N 298.730 -0.051 50 20 CBGD Cn1nncc1C(=O)NNC(=O)c1ccc(C#N)cc1 798939392 NBEGVIUMAQSJDB-UHFFFAOYSA-N 270.252 -0.238 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cn2c(n1)CCCC2 799725849 IOAQCGXBYIOBHV-UHFFFAOYSA-N 266.301 -0.249 50 20 CBGD CCNC(=O)CNC(=O)NNc1ncccc1F 804871156 SUPBKXGPAKAUIT-UHFFFAOYSA-N 255.253 -0.017 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@H](CC(N)=O)C1 808773801 QNCKIAXJZWBRNY-SECBINFHSA-N 284.360 -0.623 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ncn(C(C)(C)C)n2)cn1 812513680 UWDULBBQOUSKNS-UHFFFAOYSA-N 291.315 -0.159 50 20 CBGD CCN(CCO)NC(=O)CS(=O)(=O)C(C)C 823852780 PHICDBTXXRDCDL-UHFFFAOYSA-N 252.336 -0.845 50 20 CBGD C[C@@H](NC(=O)C(C)(C)C)C(=O)NN(C)[C@H](C)CO 823977562 ZSNKBLSLICMARH-RKDXNWHRSA-N 259.350 -0.119 50 20 CBGD Cc1cc(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n(C)n1 826738854 CIZBNGGQILFTRT-GXSJLCMTSA-N 295.343 -0.016 50 20 CBGD COCCN1CN(S(=O)(=O)CCl)CC1=O 831415922 DMGCCQWQXJVMAB-UHFFFAOYSA-N 256.711 -0.739 50 20 CBGD O=S(=O)(CBr)NC[C@@H]1C[C@H](F)CN1 850588275 ZBMJMTNNGCWSFY-WDSKDSINSA-N 275.143 -0.042 50 20 CBGD CNC[C@@H](C)NC(=O)NNC(=O)c1ccccc1O 851681487 ONPKWXRQEVOIFT-MRVPVSSYSA-N 266.301 -0.056 50 20 CBGD CO[C@H](C)CNC(=O)NNC(=O)[C@@H]1CCCCO1 852535001 SZSKJTXLUTVARJ-BDAKNGLRSA-N 259.306 -0.079 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H](C)CC(N)=O 854388259 DGRQYGGNXQTPPC-MRVPVSSYSA-N 289.332 -0.566 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@](C)(O)Cn1ccccc1=O 854920945 WQLKNEFWBHJLBR-LBPRGKRZSA-N 298.368 -0.933 50 20 CBGD COC(=O)NCC(=O)NNC(=S)N[C@@H](C)C1CC1 855102748 MKHQCYSMIFYKON-LURJTMIESA-N 274.346 -0.364 50 20 CBGD CCOC[C@H]1CN([C@@H](C)C(=O)NNC(=O)CC)CCO1 859772907 VAOXBEOAUIABJC-WDEREUQCSA-N 287.360 -0.330 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C[C@H]1CCCC[C@@H]1O 863465804 GISJVFBTBIUUJD-BDAKNGLRSA-N 292.357 -0.880 50 20 CBGD CC(C)C(=O)NNC(=O)c1cnn(CCN(C)C)c1 864491408 XUWDYBYKOFBUHH-UHFFFAOYSA-N 267.333 -0.138 50 20 CBGD C=CCNC(=S)NNC(=O)[C@]1(C)CCNC1=O 873765782 PBTZZIBIVQVTPJ-SNVBAGLBSA-N 256.331 -0.806 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@@H]1CCCCN(C)C1=O 874247598 WKSJTZSWGBWAJD-VIFPVBQESA-N 270.333 -0.016 50 20 CBGD CC[C@H]1CN(C(=O)NNC(=O)c2cccnn2)CCO1 883850439 XPFMFMJLFIIQSL-VIFPVBQESA-N 279.300 -0.058 50 20 CBGD CO[C@@]1(C(=O)NNC(=O)c2ncccn2)CCSC1 891843491 MAIVQDQTUMMVAG-NSHDSACASA-N 282.325 -0.240 50 20 CBGD C[C@]1(C(=O)N2CCO[C@H](C(N)=O)C2)C[C@@H]1Br 906469105 YJVIUNZADTWHKN-BYULHYEWSA-N 291.145 -0.127 50 20 CBGD COC[C@H](NC(=O)[C@]1(C)C[C@H]1Br)C(N)=O 907152128 YFYTXTRNAYDJSS-CCGCGBOQSA-N 279.134 -0.224 50 20 CBGD Cn1ccc(C(=O)NNC(=O)CN2CCCC2=O)c1 913731767 VLYPVSMUXOLMOP-UHFFFAOYSA-N 264.285 -0.592 50 20 CBGD O=C(CNC(=O)C1CC1)NNC(=O)CC(F)(F)F 918366745 VIYWDJWDOASTJT-UHFFFAOYSA-N 267.207 -0.388 50 20 CBGD CS(=O)(=O)CC1(CC(=O)NNC(=O)C2CC2)CC1 1252447765 MVYXSQDLYSIYSH-UHFFFAOYSA-N 274.342 -0.241 50 20 CBGD O=C(NC[C@H]1CCN(C2CC2)C1)NNC(=O)c1cn[nH]c1 1261789617 KCEWLPICANFYGQ-SECBINFHSA-N 292.343 -0.162 50 20 CBGD CS(=O)(=O)c1ccc(NNC(=O)CCO)cc1 1262483401 DKTCGWHGDFGMKI-UHFFFAOYSA-N 258.299 -0.084 50 20 CBGD C=C(C)CN1CCC(NC(=O)NNC(=O)C(=O)OC)CC1 1318940761 BYFYLSRKMLNFCE-UHFFFAOYSA-N 298.343 -0.470 50 20 CBGD CS(=O)(=O)c1ccccc1NNC(=O)C1(C(N)=O)CC1 1319383129 LBBOPSXYCIQTGA-UHFFFAOYSA-N 297.336 -0.201 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1cccc(F)n1 1319483724 QBDZHCQXHGMCDA-UHFFFAOYSA-N 270.220 -0.776 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cccc(-n2ccnc2)c1 1320510929 VEOVNEPFKUTQCU-UHFFFAOYSA-N 287.279 -0.022 50 20 CBGD O=C(/C=C\c1ccc[nH]1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1323010487 CXRBNALZDZACRP-TYRPZCRBSA-N 297.336 -0.390 50 20 CBGD Nc1cnnc(NNC(=O)CNC(=O)C2CC2)c1Cl 1324009872 ZTZPWGFXIORJLD-UHFFFAOYSA-N 284.707 -0.319 50 20 CBGD Cc1csc([C@@H](C)C(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 1329171622 FXPKVAPUWOQOGQ-JGVFFNPUSA-N 296.352 -0.019 50 20 CBGD O=C(CCc1nc[nH]n1)NNc1ncncc1F 1330460079 UWSNCZBZRHUFMN-UHFFFAOYSA-N 251.225 -0.190 50 20 CBGD Cc1ncsc1C(=O)NNC(=O)CS(C)(=O)=O 1331825503 CVHOBFMYBAZBNQ-UHFFFAOYSA-N 277.327 -0.743 50 20 CBGD O=C(C1CCN(C2CC2)CC1)N1CC[C@H](B(O)O)C1 1335432869 NVXSNUKFHXUHGP-NSHDSACASA-N 266.150 -0.064 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccnc(O)c1 1342877924 YKZMQRYDEHPCKK-ZETCQYMHSA-N 281.268 -0.110 50 20 CBGD C[C@H](C(=O)O)C(=O)NNC(=O)Cc1ccccn1 1588573386 DOPVCNXGZRXFQF-ZETCQYMHSA-N 251.242 -0.508 50 20 CBGD C[C@]1(C(=O)NNC(=O)[C@@H](C(=O)O)C2CC2)CCCO1 1589181597 OXCKQFNOUXZJHL-QPUJVOFHSA-N 270.285 -0.186 50 20 CBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)c1cccnn1 1592360440 YSAXYFLSISVZQB-LURJTMIESA-N 252.230 -0.652 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCC(=O)O)ccc1=O 1594530421 SFEYZIBYSDAXPZ-UHFFFAOYSA-N 267.241 -0.989 50 20 CBGD O=C(O)CCCCNCc1ccccc1B(O)O 1595045906 IHXQHCGDLUQMFY-UHFFFAOYSA-N 251.091 -0.289 50 20 CBGD O=C(CO)NCCC(=O)NNc1cccc(C(=O)O)c1F 1601329891 AEFJZQODOCLYSE-UHFFFAOYSA-N 299.258 -0.534 50 20 CBGD N#Cc1nc(NC(=O)CCl)[nH]c1-c1nn[nH]n1 1609496356 GTTJYGDYQLSPOS-UHFFFAOYSA-N 252.625 -0.361 50 20 CBGD O=C(O)CNC(=O)NNS(=O)(=O)c1ccccc1 1610784111 VUJAEFGTQZKMOX-UHFFFAOYSA-N 273.270 -0.736 50 20 CBGD CC(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13629316 AKNAUOYEJIFSEB-VIFPVBQESA-N 265.269 -0.205 50 20 CBGD O=C(NNC(=O)c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 42871450 NGLMDKJBDSPMEB-SNVBAGLBSA-N 297.336 -0.182 50 20 CBGD CNC(=O)NNC(=O)c1ccc(N2CCOCC2)nc1 49023631 YUPPLSTUGYPDJE-UHFFFAOYSA-N 279.300 -0.508 50 20 CBGD Cn1nc(C(=O)NNC(=O)NCC2CC2)ccc1=O 49166886 PSCRIEUOOFRNBN-UHFFFAOYSA-N 265.273 -0.866 50 20 CBGD C[C@@H](O)CN(C)CC(=O)NNC(=O)c1cccc(C#N)c1 166062825 IVUYORCJFFAXJU-SNVBAGLBSA-N 290.323 -0.368 50 20 CBGD CN(C)CC(=O)NNC(=O)COc1cccc([N+](=O)[O-])c1 263928657 WSKPBRSTOJIJSE-UHFFFAOYSA-N 296.283 -0.317 50 20 CBGD COCC1(C(=O)NNC(=O)c2cc(C)n[nH]2)CCOCC1 290447496 IIBQPWOLYZHIHO-UHFFFAOYSA-N 296.327 -0.078 50 20 CBGD CCO/C=C(/C#N)C(=O)NCCS(=O)(=O)NC 490695357 MWAVUBUKTKTHSH-FPLPWBNLSA-N 261.303 -0.904 50 20 CBGD COC(=O)N(C)NC(=O)CSc1n[nH]c(O)n1 495629630 UKFFYLLJOBHPFI-UHFFFAOYSA-N 261.263 -0.668 50 20 CBGD CC(=O)N1CCCN(C(=O)c2ccc(B(O)O)cc2)CC1 584926471 PFVWOLOGNFUBTB-UHFFFAOYSA-N 290.128 -0.939 50 20 CBGD CC[C@H](NC(=O)c1cc(B(O)O)ccc1F)c1nc[nH]n1 584951003 OXGWUBPXWVLKJI-JTQLQIEISA-N 292.079 -0.495 50 20 CBGD CC[C@](C)(O)CNC(=O)c1cc(B(O)O)ccc1F 584955754 WJAFUGXLQDHPFU-LBPRGKRZSA-N 269.081 -0.604 50 20 CBGD O=C(N[C@@H]1CCO[C@H]1C1CC1)c1ccc(B(O)O)c(F)c1 584968368 WLWWEIIUBCNESH-OLZOCXBDSA-N 293.103 -0.197 50 20 CBGD N#C[C@H]1CSCCN1C(=O)c1ccc(B(O)O)cc1 584969975 JHIRJONWOVASKY-NSHDSACASA-N 276.126 -0.552 50 20 CBGD C[C@@H](CNC(=O)c1ccc(B(O)O)c(F)c1)CN(C)C 584993089 VXENJPUXEGQWKT-VIFPVBQESA-N 282.124 -0.567 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCO[C@@H](CF)C1 585002500 XETJVVHCAHDBAM-VIFPVBQESA-N 285.055 -0.684 50 20 CBGD COC[C@@H](NCc1ccc(B(O)O)cc1)[C@@H]1CCCO1 585039350 SMFGEZURZNFFRC-KGLIPLIRSA-N 279.145 -0.350 50 20 CBGD O=S(=O)(CCCN1CCCC1)N1CC[C@H](B(O)O)C1 585057769 ZOOFPUKXOLYYTP-NSHDSACASA-N 290.194 -0.649 50 20 CBGD O=S(=O)(c1cccnc1Cl)N1CC[C@@H](B(O)O)C1 585061460 YDOCTPICZRRFMX-SSDOTTSWSA-N 290.537 -0.028 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)C1(C(N)=O)CC1 732275984 MPIBODLRPSSJKG-UHFFFAOYSA-N 291.307 -0.349 50 20 CBGD CCCNC(=O)NNC(=O)CCCn1cncn1 733140243 XCZAVOIRZRTSBA-UHFFFAOYSA-N 254.294 -0.201 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H](CO)C1 748810189 RZBSELMAFDQTTL-JTQLQIEISA-N 271.361 -0.116 50 20 CBGD CCc1noc2ncc(S(=O)(=O)NNC(=O)NC)cc12 762441610 XMVQMTSXLCJQPL-UHFFFAOYSA-N 299.312 -0.093 50 20 CBGD CC(=O)N1CCC[C@H](C(=O)NNC(=O)C(C)(C)O)C1 768262055 RRJNOFQOSYYQJE-VIFPVBQESA-N 271.317 -0.837 50 20 CBGD O=C(NNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc[nH]1 801601206 ZKSTXZHBYVDZKG-UHFFFAOYSA-N 264.201 -0.279 50 20 CBGD COCCN(C)NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 808075080 IFXPHYXAVROTSX-VIFPVBQESA-N 295.405 -0.440 50 20 CBGD C[C@](O)(C(=O)NNC(=O)Cc1cc[nH]n1)C1CCC1 813442899 HXJTXBSGJIITOH-GFCCVEGCSA-N 266.301 -0.349 50 20 CBGD CC[C@@H](CO)N[C@@H](C)C(=O)NNC(=O)CC(C)C 816831467 UIBNHUQYLWCKGN-UWVGGRQHSA-N 259.350 -0.071 50 20 CBGD CNC(=O)NNC(=O)[C@@H](CCC(C)C)NC(C)=O 823425085 KWXIBYINSLUXKS-SECBINFHSA-N 258.322 -0.113 50 20 CBGD CCCN1C[C@@H](C(=O)NN(C)[C@H](C)CO)CC1=O 823917020 CWAXNHCPVQYCGG-ZJUUUORDSA-N 257.334 -0.411 50 20 CBGD COCCCOCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843663972 ZZODRKMOLSBDML-UWVGGRQHSA-N 274.317 -0.388 50 20 CBGD O=C(C[C@@H]1CNCCO1)NNC(=O)c1ccccc1 844203982 JIKDPOSWVDFUNV-LLVKDONJSA-N 263.297 -0.174 50 20 CBGD C=C(C)CONC(=O)NNC(=O)c1cnn(C)c1 845599753 RPPURMVJIBVEDY-UHFFFAOYSA-N 253.262 -0.128 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=S)NCC1CCC1 855090901 UXMJISAPICVJSD-LLVKDONJSA-N 275.374 -0.321 50 20 CBGD CCn1cc(CC(=O)NNC(=O)c2cc[nH]n2)cn1 855356412 LHXDDANIVNUOSM-UHFFFAOYSA-N 262.273 -0.370 50 20 CBGD O=C(NNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21)C(=O)NC1CC1 858167816 IYOJYWKETQNNKC-JHJVBQTASA-N 299.330 -0.002 50 20 CBGD COC1([C@@H](C)NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCC1 858543027 PFFFVBMZNWMAEN-BDAKNGLRSA-N 298.343 -0.447 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H]1CCOC(=O)N1 858778569 NWNYZNSXBPVRPG-SSDOTTSWSA-N 258.278 -0.385 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCc2nc[nH]c2C1 859306616 ZVKBNMLLHAAQDR-UHFFFAOYSA-N 265.317 -0.429 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1ncc2n1CCCC2 865046476 KLFFYMTVZLFLMU-UHFFFAOYSA-N 293.327 -0.094 50 20 CBGD OC[C@H](C[C@H]1CCCO1)NCc1cccc(B(O)O)c1 895749198 PMYKJYGAURDRST-UONOGXRCSA-N 279.145 -0.614 50 20 CBGD CN(C)CC(=O)NNC(=O)C[C@@H]1NC(=O)c2ccccc21 896129709 WPZMNQVUWSXXNY-NSHDSACASA-N 290.323 -0.430 50 20 CBGD CC(=O)NNC(=O)c1cccn1CCN1CCOCC1 905068028 UYGMPUBFNMZTDG-UHFFFAOYSA-N 280.328 -0.399 50 20 CBGD CS(=O)(=O)N1CC(C(=O)NCC(Cl)Cl)C1 908184721 RDIUVXVMDRTFAW-UHFFFAOYSA-N 275.157 -0.202 50 20 CBGD COC(=O)NNC(=O)Nc1cccc(OCC(N)=O)c1 915351941 AWLVJUKEQXIVIG-UHFFFAOYSA-N 282.256 -0.057 50 20 CBGD COc1cccc(C(=O)NNS(C)(=O)=O)c1O 919958211 HIAYMLLUMGLAFD-UHFFFAOYSA-N 260.271 -0.405 50 20 CBGD NC(=O)C(=O)NN=Cc1ccc(Br)nc1 1253671809 PZUNTOXRUSUSRG-UHFFFAOYSA-N 271.074 -0.221 50 20 CBGD Cc1nn(C)cc1CCC(=O)NNC(=O)[C@H]1CCC(=O)N1 1261841907 GTZNSRHYUUXYIA-SNVBAGLBSA-N 293.327 -0.913 50 20 CBGD NC(=O)C(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc21 1317705803 NRWLCKWPOUOXSB-UHFFFAOYSA-N 299.283 -0.691 50 20 CBGD Cc1nn(C)c(C(=O)NNC(=O)N(C)C)c1[N+](=O)[O-] 1318043153 PLORJTIMDMFIAA-UHFFFAOYSA-N 270.249 -0.447 50 20 CBGD CCO[C@H]1C[C@H](NC(=O)NNC(=O)C(=O)OC)C12CCC2 1318942442 POYUOKVFQYJFTH-IUCAKERBSA-N 299.327 -0.163 50 20 CBGD O=C(NN=CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1319730263 STBWNMZNFZQVHX-UWVGGRQHSA-N 274.342 -0.050 50 20 CBGD N#Cc1ccc(NC(=O)C(=O)NNC(=O)CCO)c(F)c1 1320358747 WVPALMZFIITBEJ-UHFFFAOYSA-N 294.242 -0.834 50 20 CBGD O=C(CO[C@@H]1CCOC1)NNc1ncnc2[nH]cnc12 1322301369 UFBQAAPPZGVGLB-SSDOTTSWSA-N 278.272 -0.399 50 20 CBGD Cn1ccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)n1 1324253940 OICKMOLJZKMQAD-MRVPVSSYSA-N 270.314 -0.695 50 20 CBGD O=C(NNC(=O)c1cccnc1C1CC1)C(=O)NC1CC1 1327939363 LROAZNOBLNBNDW-UHFFFAOYSA-N 288.307 -0.001 50 20 CBGD O=C(CCl)NCCNS(=O)(=O)Cc1ccon1 1336910094 NEQQUCMHSSWUML-UHFFFAOYSA-N 281.721 -0.551 50 20 CBGD CN(C)S(=O)(=O)/C(C#N)=C\c1cn(CC(=O)O)nn1 1339671128 WCYFJZWNQNDMRT-BAQGIRSFSA-N 285.285 -0.881 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CCN(C2CC2)C1 1345722962 OGOUSVKXCLXTFS-HOSYDEDBSA-N 296.371 -0.022 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(N)=O)nc1 1349455940 NYIBFTHEPJTWJJ-APPZFPTMSA-N 292.295 -0.634 50 20 CBGD C[C@@]1(C(=O)NNC(=O)CCN)Oc2ccccc2NC1=O 1576351076 VPVNLOYIRHJEDQ-CYBMUJFWSA-N 292.295 -0.728 50 20 CBGD CCn1nc(C)cc1C(=O)NNC(=O)[C@@H]1CCN1 1578361324 KTRITSQWGNTPJM-QMMMGPOBSA-N 251.290 -0.666 50 20 CBGD COC[C@H](N)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1 1579086812 CJZKISRMENZNDM-NSHDSACASA-N 295.343 -0.121 50 20 CBGD CN(C)[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)C(=O)O 1598190343 KGNOTISUZGKOJO-JGVFFNPUSA-N 272.305 -0.726 50 20 CBGD O=C(/C=C/c1ccc(C(=O)O)o1)NNC(=O)c1cnn[nH]1 1601236625 TYAYOQQFNYLXGZ-DUXPYHPUSA-N 291.223 -0.430 50 20 CBGD O=C1CC[C@@H](C(=O)NN=C2C[C@H]3C[C@@H](C(=O)O)[C@H]2C3)N1 1602637957 JIZKBHMNGZZNAT-BGZDPUMWSA-N 279.296 -0.132 50 20 CBGD CNC(=O)NNC(=O)/C=C\c1cc(C(=O)O)co1 1606281272 RJXPCWVVZAKZJV-IHWYPQMZSA-N 253.214 -0.049 50 20 CBGD O=C1CSC[C@@H](C(=O)NNc2ncccc2C(=O)O)N1 1606563663 COFAXPPPAFXHLY-ZETCQYMHSA-N 296.308 -0.546 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2C[C@@H](C(=O)O)C2)n[nH]1 1607580072 HTMIQAALRPDIKP-KNVOCYPGSA-N 266.257 -0.410 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNC(=O)c1cccc(N(C)C)c1 28663536 LVAMAVLPXHDKDZ-QMMMGPOBSA-N 293.327 -0.430 50 20 CBGD COC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)nc1 48289928 TUTOIUOBCXFUEQ-UHFFFAOYSA-N 288.285 -0.122 50 20 CBGD CS(=O)(=O)CCC(=O)NNC(=O)c1ccccc1 78761677 GPRYENMMUPCNKC-UHFFFAOYSA-N 270.310 -0.118 50 20 CBGD Cc1nnc(NC(=O)NNC(=O)CN(C)C)s1 155566375 ISWOENZIQORTJV-UHFFFAOYSA-N 258.307 -0.439 50 20 CBGD C=CCCC(=O)NNC(=O)CNC(=O)c1cccnc1 160550563 DDRWFHVSZKFKPJ-UHFFFAOYSA-N 276.296 -0.075 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCS1)C(=O)NC1CC1 273036500 ZTHHFFHQLBCDMA-QMMMGPOBSA-N 271.342 -0.302 50 20 CBGD CC(=O)NNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 298320249 YRQKHQMLHIPKRV-UHFFFAOYSA-N 294.267 -0.200 50 20 CBGD COC(=O)[C@H](CO)NC(=O)/C(C#N)=C/c1ccc(O)cc1 491050437 PSPVDFKEPIXFNN-JXPAYYINSA-N 290.275 -0.051 50 20 CBGD C[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@H]1O 584971099 XFUKOMLWSLFEBL-PRHODGIISA-N 281.092 -0.652 50 20 CBGD C[C@H]1CC[C@H](CNC(=O)c2cc(B(O)O)ccc2F)O1 584998973 UIRJNULIEVIOLS-WCBMZHEXSA-N 281.092 -0.197 50 20 CBGD OB(O)c1ccccc1CNc1ccn(CC(F)F)n1 585030797 IVYWATLYUMNCRS-UHFFFAOYSA-N 281.071 0.440 50 20 CBGD C[C@H](CNCc1ccc(B(O)O)cc1F)[S@](C)=O 585034432 KXMSRBQPURWIRV-CVJBHZAOSA-N 273.138 -0.638 50 20 CBGD O=C1CC[C@@H](NCc2ccc(B(O)O)o2)C2(CCC2)N1 585041060 CDGFGGOWPSWJSZ-SNVBAGLBSA-N 278.117 -0.750 50 20 CBGD CCn1ccc(CNCc2ccc(B(O)O)cc2)n1 585046853 WNQOQVUEKKMZRD-UHFFFAOYSA-N 259.118 -0.127 50 20 CBGD OB(O)c1cccc(-c2noc(C[C@@H]3CCOC3)n2)c1 585052883 ACQCOEPMWAJRHG-VIFPVBQESA-N 274.085 -0.005 50 20 CBGD Cc1ccc(-n2nnc(CC(=O)NCB(O)O)c2C)cc1 585061858 KCIDFSAPRSIRBQ-UHFFFAOYSA-N 288.116 -0.445 50 20 CBGD O=C1C[C@H](C(=O)N2CC[C@H](B(O)O)C2)[C@@H]2CCCC[C@@H]2N1 585073658 MNQVNBMNCHDDLX-BJDJZHNGSA-N 294.160 -0.243 50 20 CBGD COCCC(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 732261091 JYDYSLUYSMSEPY-PHIMTYICSA-N 287.360 -0.330 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1C[C@H]1C(=O)O 737763083 VITZFPBOIXJDKJ-RNFRBKRXSA-N 259.262 -0.926 50 20 CBGD CN1CCC[C@@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1 748462513 UWOPCICKWUNTSR-SNVBAGLBSA-N 297.359 -0.967 50 20 CBGD Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)CO 753444246 HMFGPELRZFQTCS-ZCFIWIBFSA-N 254.290 -0.720 50 20 CBGD CC1(Cn2cc(C(=O)NNC(=O)C3CC3)nn2)COC1 758998185 AESJYILMORVHOY-UHFFFAOYSA-N 279.300 -0.514 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)NCc2ccco2)C1=O 772412197 RTJAKHKFLPSGCX-VIFPVBQESA-N 280.284 -0.412 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)c1ccncn1 777645229 URJFZRKGZBDUPD-UHFFFAOYSA-N 257.253 -0.125 50 20 CBGD O=C(Cn1cncn1)NNc1ncncc1Cl 781819270 AQTACYBCSGEQBD-UHFFFAOYSA-N 253.653 -0.135 50 20 CBGD CCCCNC(=O)NNC(=O)C(=O)NCC1CC1 788500730 AMGVTELBYIMHOG-UHFFFAOYSA-N 256.306 -0.357 50 20 CBGD Cc1cccnc1NNC(=O)CN1C(=O)CN(C)C1=O 791216006 YJVKICWOCBXOOA-UHFFFAOYSA-N 277.284 -0.273 50 20 CBGD CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)[C@H]1CCNC1=O 799353153 BTUKIDJEIXPWEP-QWRGUYRKSA-N 298.387 -0.221 50 20 CBGD N#CCNC(=O)CNC(=O)NNC(=O)c1ccccc1 804892217 OYAHFLCQWPYYQV-UHFFFAOYSA-N 275.268 -0.730 50 20 CBGD CC[C@H](C)CONC(=O)NNC(=O)C(=O)NC1CC1 813826829 FAYHUBDUIUOJBM-ZETCQYMHSA-N 272.305 -0.427 50 20 CBGD O=C(CN1CCCC1=O)NN=C1COCCOC1 814760874 JOECILJIUMYEQJ-UHFFFAOYSA-N 255.274 -0.872 50 20 CBGD CCn1nc(C)c(C(=O)NNC(=O)NCCCOC)n1 815114496 KORROCJWWXDCIL-UHFFFAOYSA-N 284.320 -0.413 50 20 CBGD Cc1cccc2c(=O)n(CC(=O)NNc3nc[nH]n3)cnc12 816632450 JNBJMZDKOKJELE-UHFFFAOYSA-N 299.294 -0.034 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F 823901709 DTCDKOYPXYLZMQ-CSMHCCOUSA-N 297.277 -0.355 50 20 CBGD C[C@@H](CO)N(C)NC(=O)C(=O)N1CCC[C@@H](C)C1 823934732 JBWYJNHEVRWZRY-ZJUUUORDSA-N 257.334 -0.411 50 20 CBGD CN(C)CCN(CCOCCO)S(=O)(=O)CCl 830623245 GSLGKFXBFHZRTJ-UHFFFAOYSA-N 288.797 -0.615 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)[C@@H](O)C2CC2)n1 831988775 UHJNIYRRQRFAFB-ZETCQYMHSA-N 257.681 -0.074 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CO[C@H](C)C1 843659383 UJPVIXMGCKXEAC-KATARQTJSA-N 256.302 -0.016 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843977706 HGFNCYHGMSKMQN-RNJXMRFFSA-N 273.289 -0.697 50 20 CBGD CNC(=S)N(C)NC(=O)CCn1c(C)cc(O)cc1=O 854924901 WOMCKCBLLJKNEM-UHFFFAOYSA-N 298.368 -0.280 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@@H]1CCC(=O)NC1)C1CC1 855103375 UGDLLQMVYNICRS-VXNVDRBHSA-N 284.385 -0.194 50 20 CBGD CCNC(=O)CCC(=O)NNC(=O)c1cc[nH]n1 855358719 UFFXVOFUKRDDDQ-UHFFFAOYSA-N 253.262 -0.913 50 20 CBGD CN1C(=O)CN(CC(=O)NNC(=O)NC2CCCC2)C1=O 858852925 BEXXOVFOHUBXNN-UHFFFAOYSA-N 297.315 -0.847 50 20 CBGD COC(=O)c1cnn(CC(=O)NN(C)C(=O)OC)c1 861656694 VWAGQKVYXOOLRB-UHFFFAOYSA-N 270.245 -0.601 50 20 CBGD CC1=C(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C(=O)OC1(C)C 862453332 LEBVXOPPVBWCLU-ZETCQYMHSA-N 295.295 -0.936 50 20 CBGD CCN(CCC(=O)OC)C(=O)c1cccc(B(O)O)c1 863871441 NLXRZQSCLPESFM-UHFFFAOYSA-N 279.101 -0.608 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@]12CCOC2=O 863878412 FJVXBHOANZWRQW-AWEZNQCLSA-N 289.096 -0.712 50 20 CBGD CCCN(C(=O)c1cccc(B(O)O)c1)[C@@H](C)C(=O)OC 888605963 MOWHJBCGPMYSND-JTQLQIEISA-N 293.128 -0.220 50 20 CBGD COCCN(C)NC(=O)CNC(=O)N1CCCC1 908114345 GNORDSVYWSOSEK-UHFFFAOYSA-N 258.322 -0.599 50 20 CBGD Cc1cc(C)n2nc(C(=O)NN(C)C[C@H](C)O)nc2n1 910176887 GDYSUSHZRAONDN-VIFPVBQESA-N 278.316 -0.301 50 20 CBGD O=C(Cn1cc([N+](=O)[O-])cn1)NNC(=O)c1ccncc1 912975286 XDNWJPDNZMOORL-UHFFFAOYSA-N 290.239 -0.353 50 20 CBGD Cc1nc(C)c(NC(=O)C(=O)NNC(=O)CCO)s1 1262670735 ABGSJFOHOVLFCJ-UHFFFAOYSA-N 286.313 -0.772 50 20 CBGD COCCNC(=S)NNC(=O)c1cnn(C)c1 1318655710 AJGDPJKEFOZCTK-UHFFFAOYSA-N 257.319 -0.825 50 20 CBGD CCc1ocnc1C(=O)NNC(=O)C(=O)N1CCCC1 1318708125 NQCJUNMTSBLVCG-UHFFFAOYSA-N 280.284 -0.380 50 20 CBGD COCC(=O)NCCC(=O)NNc1cccnn1 1320338412 BHSVOUUPXICEIJ-UHFFFAOYSA-N 253.262 -0.928 50 20 CBGD Cn1nccc1COCC(=O)NNc1cccnn1 1321861250 JLWPNLFFKHRQBS-UHFFFAOYSA-N 262.273 -0.130 50 20 CBGD O=C(CCO)NNC(=O)Nc1cccc2c1OCO2 1325581873 DTWRVANXHSESSX-UHFFFAOYSA-N 267.241 -0.050 50 20 CBGD O=C(NC[C@H]1CCCO1)NNC(=O)C1CCOCC1 1331938651 MBVJBQMGBJFYNK-SNVBAGLBSA-N 271.317 -0.078 50 20 CBGD Cc1ncc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 1332650497 RWQRGRFTDSHQAP-QMMMGPOBSA-N 297.340 -0.439 50 20 CBGD COCC(=O)NCCC(=O)NNC(=O)c1ccccc1C 1337819760 LDPXVMXYWWPZEW-UHFFFAOYSA-N 293.323 -0.091 50 20 CBGD CN(C)c1ccc2c(c1)NC(=O)C2=NNC(=O)C(N)=O 1339079237 LTYGTULXSIXTRO-UHFFFAOYSA-N 275.268 -0.990 50 20 CBGD Cc1nnc2ccc(C(=O)N3CC[C@H](B(O)O)C3)cn12 1348490025 KMCFLHSXBFNYPZ-JTQLQIEISA-N 274.089 -0.273 50 20 CBGD COCC[C@H](N)C(=O)NNC(=O)Cc1ccncc1 1573977716 IMCUBBPLLUEJBA-JTQLQIEISA-N 266.301 -0.865 50 20 CBGD Cc1nnc(NNC(=O)N[C@H](C)CCCN)n1C 1579912790 PMWHRCMVZFCPFW-SSDOTTSWSA-N 255.326 -0.123 50 20 CBGD N#Cc1ccc(CC(=O)NNC(=O)[C@H]2CCN2)cc1 1580065971 AEGKTWXBQCGIRS-LLVKDONJSA-N 258.281 -0.390 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@]12CCCNC2)c1ncon1 1580733581 YHXQVNTZALWRLU-HQJQHLMTSA-N 265.273 -0.780 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)CC1 1593780909 IODOTKGTYKBTAF-ZJUUUORDSA-N 298.343 -0.525 50 20 CBGD CNC(=S)N(C)NC(=O)[C@]1(C(=O)O)CC1(C)C 1593797307 GQMXMWKHSBKYNU-JTQLQIEISA-N 259.331 -0.045 50 20 CBGD O=C(O)COCC(=O)NNC(=O)Nc1ccccc1 1595107288 POQDAGUDSOAGFW-UHFFFAOYSA-N 267.241 -0.060 50 20 CBGD O=C(O)CSCC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 1595126801 LDWKILHZHXLLFF-GJMOJQLCSA-N 288.325 -0.481 50 20 CBGD CCNC(=O)NNC(=O)COCc1ocnc1C(=O)O 1596471022 RHDHJZQNHNLLTL-UHFFFAOYSA-N 286.244 -0.760 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1ccccc1C(=O)O 1599141539 PVKHYFOGFSXPME-UHFFFAOYSA-N 295.295 -0.067 50 20 CBGD O=C(C[C@@H]1NC(=O)NC1=O)NNc1ccccc1C(=O)O 1601352629 ITLMUYFAHUJSJD-QMMMGPOBSA-N 292.251 -0.574 50 20 CBGD O=C(NNC(=O)c1cc(C(=O)O)on1)c1cc[nH]n1 1608479502 KEYGLOPYCKMNFM-UHFFFAOYSA-N 265.185 -0.829 50 20 CBGD N[C@H]1CCCN(CC(=O)NNC(=O)c2cccs2)C1 41029763 QKKBZVFIPNFUNQ-VIFPVBQESA-N 282.369 -0.068 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNC(=O)NCC(F)(F)F 374005280 FOUNBLNXDDZQHB-ZETCQYMHSA-N 298.265 -0.400 50 20 CBGD CCN(C[C@H](C)C#N)C(=O)COc1ccc(B(O)O)cc1 584909386 KPUYNZGRTJUQAS-LLVKDONJSA-N 290.128 -0.247 50 20 CBGD CCC[C@@H](NC(C)=O)C(=O)Nc1cccc(B(O)O)c1 584909960 LSTWHGSECRVAFO-GFCCVEGCSA-N 278.117 -0.390 50 20 CBGD CC[C@H](C)NC(=O)COc1ccc(B(O)O)cc1 584910412 ZPHSSHNJLJPDKY-VIFPVBQESA-N 251.091 -0.340 50 20 CBGD O=C(NC[C@H]1CCOC1)c1cc(B(O)O)ccc1F 584934562 SRXRREDOAMXBIR-MRVPVSSYSA-N 267.065 -0.728 50 20 CBGD C[C@H]1C[C@@H](O)CN1C(=O)c1ccc(B(O)O)c(F)c1 584980257 UZIUEWOMBPATGO-IONNQARKSA-N 267.065 -0.899 50 20 CBGD CC[C@@H](NC(=O)c1cccc(B(O)O)c1)[C@H](C)O 585000187 YDWUGBGARLDUPS-GZMMTYOYSA-N 251.091 -0.744 50 20 CBGD C[C@H]1CN(C)CC[C@@H]1NCc1ccc(B(O)O)cc1F 585022582 RQQPWLUBPADVTD-HZMBPMFUSA-N 280.152 -0.065 50 20 CBGD CC(C)[C@@H](O)CCNCc1cccc(B(O)O)c1 585029740 STJMYYOWMKMCNT-ZDUSSCGKSA-N 251.135 -0.137 50 20 CBGD O=C(CN1CC[C@H](c2ccccc2)NC1=O)NCB(O)O 585062211 DHGSUMHWSQUKJY-LLVKDONJSA-N 291.116 -0.729 50 20 CBGD Cc1nc2ncnn2c(N2CC[C@H](B(O)O)C2)c1C 585073358 KMJIFWSPMUPFGB-VIFPVBQESA-N 261.094 -0.206 50 20 CBGD O=C(NNC(=O)[C@@H](O)c1cccnc1)c1ccccn1 732257606 VEUCHZKACPZCKY-NSHDSACASA-N 272.264 -0.029 50 20 CBGD O=C(CC1CCCC1)NNC(=O)CN1CCC(=O)NC1=O 732281342 ZVPUTXMSFVVKBO-UHFFFAOYSA-N 296.327 -0.344 50 20 CBGD Cn1cccc1C(=O)NNC(=O)COC1CCOCC1 735270916 ZAOIQWFDTXIYEN-UHFFFAOYSA-N 281.312 -0.018 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1nccn2ccnc12 743338639 DBBNMAMRPBREMX-UHFFFAOYSA-N 285.267 -0.164 50 20 CBGD NC(=O)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 746090775 QRIAYEFKJXEJGQ-UHFFFAOYSA-N 266.213 -0.769 50 20 CBGD COC[C@H](C)NC(=S)NNC(=O)C(=O)NC(C)C 747756417 CIYZPNYSSNHGFA-ZETCQYMHSA-N 276.362 -0.959 50 20 CBGD Cn1cccc1C(=O)NNC(=O)C(=O)N1CCCC1 748247589 SBTDQEOWVPHAQK-UHFFFAOYSA-N 264.285 -0.592 50 20 CBGD CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NNC(=O)CO 753438975 LYAKNYGPHMMLSH-MRVPVSSYSA-N 271.317 -0.837 50 20 CBGD CCC1(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 758043999 LIFJLJATQFQBLZ-SSDOTTSWSA-N 277.346 -0.738 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@](C)(C(=O)OC)C1 759787670 TZHGXNSDXNIRPQ-TVQRCGJNSA-N 285.344 -0.183 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NNc1cnccn1 783652312 SNBZXHIRGVAHRT-SNVBAGLBSA-N 265.317 -0.112 50 20 CBGD Cn1nccc1COCC(=O)NNC(=O)C1CC1 785682332 OELANTPVZFRACO-UHFFFAOYSA-N 252.274 -0.506 50 20 CBGD CCCC[C@@H](C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 800690884 SGFDGYYLCOFNTI-BDAKNGLRSA-N 293.389 -0.102 50 20 CBGD CCC(=O)NNS(=O)(=O)CC(C)(C)C(=O)OC 808069003 LTMUCKOPRGLRFK-UHFFFAOYSA-N 266.319 -0.454 50 20 CBGD COc1nccnc1NNC(=O)[C@H](CO)NC(=O)C(C)C 816971002 QTVSVWQGUVPYBS-QMMMGPOBSA-N 297.315 -0.939 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)CCC(=O)O 817858726 RLHUQDITYDDLCY-SECBINFHSA-N 273.333 -0.025 50 20 CBGD O=C(NN=Cc1ccc(-c2nn[nH]n2)o1)[C@@H]1COCCO1 823273831 ZXAARPMACNPHAH-VIFPVBQESA-N 292.255 -0.675 50 20 CBGD CCN(CCO)NC(=O)[C@H]1COCCN1C1CCCC1 823879289 KDHWJKSIJWGVNH-CYBMUJFWSA-N 285.388 -0.025 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 823976329 BXKZUPGTDVCOTA-MNOVXSKESA-N 295.339 -0.028 50 20 CBGD CN(C)CCN(C)CCCNS(=O)(=O)CCl 831549677 CEVNRGDYDWOJGR-UHFFFAOYSA-N 271.814 -0.014 50 20 CBGD COCC(COC)NC(=O)NNc1nccc(OC)n1 838677264 JBGQZGBEVHCJBV-UHFFFAOYSA-N 285.304 -0.227 50 20 CBGD C[C@@H]1CC(=NNC(=O)Cc2cc(O)nc(O)n2)CO1 842527911 QPPTVJYWLGUVSN-ZCFIWIBFSA-N 266.257 -0.289 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CNCCC1(F)F 843495114 ZOXNACPNQREYJU-ZETCQYMHSA-N 264.276 -0.076 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@H]1CCCC(=O)N1 843658752 VKXDRNSIWDIVKS-AEJSXWLSSA-N 283.328 -0.382 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H]1C[C@H](O)C1(C)C 846953299 ABEMCTJMRRVMQN-CIUDSAMLSA-N 257.334 -0.319 50 20 CBGD CON1CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)CC1 846976947 HSWJUBHXJVUANL-NSHDSACASA-N 286.376 -0.253 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1nc(C)no1 847090985 DDBUXPQKIPEDIY-SSDOTTSWSA-N 269.305 -0.244 50 20 CBGD NCCNC(=O)NNc1ncc(Br)cn1 848604346 ZFHHLQDDBDBWPA-UHFFFAOYSA-N 275.110 -0.176 50 20 CBGD CO[C@H](C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 853292943 ZRVSRAUUZHVPKX-NXEZZACHSA-N 289.357 -0.117 50 20 CBGD C[C@@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CCC1 858323964 KHARXCFDQHKWND-VXNVDRBHSA-N 268.317 -0.216 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@H]1CCCNC1=O 865652821 JFUTVTSATPRMHC-JTQLQIEISA-N 291.307 -0.018 50 20 CBGD COCCOCC(=O)NNC(=O)c1cc[nH]c1C 869909559 AZSMOEWSOXLPGV-UHFFFAOYSA-N 255.274 -0.253 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CSCCS1 869910547 USFNBCPKIQWMKF-QMMMGPOBSA-N 294.398 -0.355 50 20 CBGD CCN(CC(=O)NNC(=O)c1cccnn1)C1CC1 882057018 KXPAFUNJEBDYKB-UHFFFAOYSA-N 263.301 -0.278 50 20 CBGD O=C(O)C1=CC[C@@H](NCc2ccccc2B(O)O)C1 901734184 XEQPUANDZFJYFJ-LLVKDONJSA-N 261.086 -0.371 50 20 CBGD Cc1cc(C)nc(NNC(=O)CCNC(N)=O)n1 915258747 CCTMLHOBEZJYOU-UHFFFAOYSA-N 252.278 -0.405 50 20 CBGD NC(=O)c1cnn2c(C(=O)NN=c3cc[nH]cc3)ccnc12 1254373327 CIYLDSINTYVIIY-UHFFFAOYSA-N 297.278 -0.598 50 20 CBGD Cc1ccnc(O)c1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1261830460 XWCVRCQWZOHOLD-SSDOTTSWSA-N 278.268 -0.865 50 20 CBGD COc1ncncc1NC(=O)C(=O)NNC(=O)C1CCC1 1320240512 CDOYDHAVAZMIBA-UHFFFAOYSA-N 293.283 -0.629 50 20 CBGD Cn1cc(C=NNC(=O)CNC(=O)c2cccnc2)nn1 1324430253 ZUZBIIGRFBPPJG-UHFFFAOYSA-N 287.283 -0.910 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cccc(C(=O)NC)n1 1325084040 XBXQJOVICXORAN-UHFFFAOYSA-N 279.300 -0.253 50 20 CBGD O=C(CCn1cnccc1=O)NNC(=O)c1ccc[nH]1 1326186306 JFUJPRIWICIMTH-UHFFFAOYSA-N 275.268 -0.577 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)no1 1329645392 XRJQEYNCOVXSIM-ZCFIWIBFSA-N 252.230 -0.977 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@@H]1CCc2nncn2C1 1334405304 OBWSHYQKYADMFE-ZCFIWIBFSA-N 291.233 -0.060 50 20 CBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNc1ncc(Cl)cn1 1528619903 MJHBAGOFZNCEQK-PSASIEDQSA-N 296.762 -0.039 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CO[C@H](CCC(=O)O)C1 1573888059 OJDUKNVHRIXWTO-JGVFFNPUSA-N 273.289 -0.393 50 20 CBGD Cn1ncc(N)c1CCC(=O)NNC(=O)c1ccccn1 1580006919 URNGVLRLCFDBKF-UHFFFAOYSA-N 288.311 -0.209 50 20 CBGD Cn1nncc1NNC(=O)c1ccc(-c2nn[nH]n2)nc1 1592613119 KSLFBBUOCQDBPZ-UHFFFAOYSA-N 286.259 -0.853 50 20 CBGD O=C(CC1CC1)NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1592813416 DEGZCNCXWQXWAM-UHFFFAOYSA-N 275.272 -0.244 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CC=C(C(=O)O)C1 1594645962 VKBAPEDXLDTDCG-SFGNSQDASA-N 297.311 -0.085 50 20 CBGD CCCC[C@@H](NNC(=O)c1cn(C)nn1)C(=O)O 1595641461 XJSADNVTIYAOKQ-SSDOTTSWSA-N 255.278 -0.307 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1csc(C(=O)O)n1 1604203090 NQMHJLJCDTVBFL-YFKPBYRVSA-N 259.287 -0.201 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cc(C)n(C)n2)n[nH]1 34192722 KRKMIZHDORDQFE-UHFFFAOYSA-N 262.273 -0.165 50 20 CBGD C[C@]1(NNC(=O)NCc2ccccn2)CCS(=O)(=O)C1 42880457 ROOWDGLLSFQUNL-LBPRGKRZSA-N 298.368 -0.037 50 20 CBGD COC(=O)[C@H]1C[C@H]1C(=O)NNc1nc2ccccn2n1 191928142 VNILEZAZDFQNNN-SFYZADRCSA-N 275.268 -0.019 50 20 CBGD C[C@H]1Oc2ccccc2N(CC(=O)NN(C)C(N)=O)C1=O 271359296 PJNAPWQAGLANLW-MRVPVSSYSA-N 292.295 -0.158 50 20 CBGD CCN(CC)Cc1ccc(C(=O)NNC(=O)CO)o1 273492787 MXDZHEDTVPOANC-UHFFFAOYSA-N 269.301 -0.125 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ccco2)CC1 275497189 UNAAQUAGGVHQBF-UHFFFAOYSA-N 252.274 -0.119 50 20 CBGD CC(C)(C(=O)NNC(=O)c1ccccn1)N1CCOCC1 278522213 CSIIZLANNFHLPD-UHFFFAOYSA-N 292.339 -0.047 50 20 CBGD Cc1ccnc(NNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1 287712268 KXBBXBNMLCHHSS-DTWKUNHWSA-N 264.285 -0.134 50 20 CBGD CCN1CCO[C@@H](C(=O)NNC(=O)c2ccccc2O)C1 376794410 YVDWJLWKKWHBBX-GFCCVEGCSA-N 293.323 -0.126 50 20 CBGD COC(=O)NNC(=O)CNC(=O)c1ccoc1C 495409037 VVFYTFPCVDLMEK-UHFFFAOYSA-N 255.230 -0.295 50 20 CBGD COCCCCNC(=O)c1ccc(B(O)O)c(F)c1 584928262 CDGXBZLQQFDAKK-UHFFFAOYSA-N 269.081 -0.338 50 20 CBGD Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 584939613 KNIAZNWJHWDBRV-SECBINFHSA-N 287.128 -0.101 50 20 CBGD CC1(C)[C@H](NC(=O)c2ccc(B(O)O)cc2)[C@@H]2CCO[C@H]21 584948297 BEWIRKOQEAURBO-YNEHKIRRSA-N 289.140 -0.090 50 20 CBGD O=C(NC[C@@H]1CCC[C@H](O)C1)c1cccc(B(O)O)c1 584948466 CMLYNXNQNVAWKQ-MFKMUULPSA-N 277.129 -0.353 50 20 CBGD C[C@H](CNC(=O)c1ccc(B(O)O)c(F)c1)[S@](C)=O 584967029 PJOWQZONDSCXSN-XJZHNMMOSA-N 287.121 -0.998 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@H]1C1CC1 584967074 FINXETMHISXTOO-CYBMUJFWSA-N 275.113 -0.383 50 20 CBGD COCCO[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584977970 VZKTZSBKBRDVNT-ZDUSSCGKSA-N 293.128 -0.756 50 20 CBGD C[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)CC[S@@]1=O 584981325 BYZUAMAKPGTVLU-FVINQWEUSA-N 295.169 -0.651 50 20 CBGD CO[C@](C)(CNC(=O)c1cccc(B(O)O)c1)C1CC1 584991435 YSILPKWHKZCYAL-CQSZACIVSA-N 277.129 -0.089 50 20 CBGD CCc1nn(C)cc1CNCc1ccccc1B(O)O 585035614 WDZGGELJWVOKRJ-UHFFFAOYSA-N 273.145 -0.048 50 20 CBGD O=S(=O)(CCCCF)N1CC[C@H](B(O)O)C1 585055528 AMVVHCYJWAYBBQ-QMMMGPOBSA-N 253.104 -0.385 50 20 CBGD CN1C(=O)CC[C@H](C(=O)NCB(O)O)[C@@H]1c1ccccc1 585059339 JXGHQJCLQNKOEB-AAEUAGOBSA-N 290.128 -0.276 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C[C@H]1CCOC1 728434148 IWWIGJQWWJRLOM-JGVFFNPUSA-N 263.319 -0.937 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1CCCN1C 733870813 YNJOGRGCOXNXOI-SECBINFHSA-N 258.322 -0.553 50 20 CBGD Cc1ccc(NNC(=O)NCC[S@@](C)=O)nn1 735103777 HDWPDGRILANMNN-QGZVFWFLSA-N 257.319 -0.210 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](O)C(C)(C)C 735416802 ITSQHZGFQZQRPT-IONNQARKSA-N 274.317 -0.118 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCn2ccccc2=O)cn1 735445987 NPZUPKHIXFHWQH-UHFFFAOYSA-N 289.295 -0.567 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@H]1C[C@H]1C(=O)O 739348866 FSQZYAAEXLWDCP-DTWKUNHWSA-N 263.253 -0.508 50 20 CBGD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NNC(C)=O 749523495 NFVVTHCCWROBOM-MRVPVSSYSA-N 298.303 -0.005 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccon1 757852804 ZSBCJIFJWQTAFS-ZETCQYMHSA-N 272.261 -0.121 50 20 CBGD COc1ncccc1NC(=O)C(=O)NNC(=O)C(C)C 763816765 ORUIILHLSPAXOF-UHFFFAOYSA-N 280.284 -0.168 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 764465352 LZXLVOFOYSPMNY-MRVPVSSYSA-N 291.311 -0.061 50 20 CBGD COc1cc(C)nc(NNC(=O)C(=O)NCC(F)F)n1 768001759 BEYAZPOZLYYKJE-UHFFFAOYSA-N 289.242 -0.382 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCC(=O)NC1CCCC1 768243274 CRRRVHPZAJSBJD-UHFFFAOYSA-N 285.344 -0.256 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cnc2[nH]nnc2c1 768411264 PQYTVDKEGSZLRN-UHFFFAOYSA-N 263.261 -0.341 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C(C)(C)O 772070220 PNKKDZBWRWKLIQ-QMMMGPOBSA-N 274.317 -0.118 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](O)C1CC1 772095998 HSNLRMNRPYLRRW-KCJUWKMLSA-N 286.328 -0.118 50 20 CBGD CNC(=O)NN=C(C)c1cn(CC(=O)OC)nn1 772839314 BPMRCQPBXJGWOT-UHFFFAOYSA-N 254.250 -0.896 50 20 CBGD Cc1nnc(NNC(=O)[C@@H]2CCCN2C2CC2)nc1O 787866551 RVOJSYXVXIGIJR-VIFPVBQESA-N 278.316 -0.044 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ncc[nH]1 790161255 CLRNUQMDRBZMJR-ZETCQYMHSA-N 273.318 -0.812 50 20 CBGD CN1CCN(C(=O)NN=Cc2cnnn2C)CC1 790173149 AWQROWRYSDIOHD-UHFFFAOYSA-N 251.294 -0.894 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H](C)n1cncn1 798306090 SJIAFNVCCFFKNA-SSDOTTSWSA-N 254.319 -0.480 50 20 CBGD CN1C(=O)CC[C@@H]1CC(=O)NNC(=O)NC1CC1 823766980 BDNOGCFRWOJROP-MRVPVSSYSA-N 254.290 -0.510 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H](C)Cc1cnn(C)c1 823917611 LEQNFDVECHAWLU-ZJUUUORDSA-N 254.334 -0.058 50 20 CBGD COCCONC(=O)NNC(=O)[C@H]1CCO[C@H]1C 826652680 XHTNNYKVFXVRGX-YUMQZZPRSA-N 261.278 -0.680 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1cc(F)ccc1O 827831822 KUFSIRPDUVCYSA-UHFFFAOYSA-N 295.270 -0.085 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)c2cccs2)CC(=O)N1 831762173 ATRYQALHVZOPTM-QMMMGPOBSA-N 296.352 -0.671 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CC(=O)N[C@@H](C)C1 831763198 MAMXOHLVBWYKHS-UWVGGRQHSA-N 284.360 -0.611 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CO1 843659381 UJPVIXMGCKXEAC-IMSYWVGJSA-N 256.302 -0.016 50 20 CBGD CCCNC(=O)CCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843975734 TVXRMLPDXCYYNT-VHSXEESVSA-N 285.344 -0.135 50 20 CBGD CN(C)N(C(=O)C1=COCCO1)[C@H]1CCS(=O)(=O)C1 844340786 DMTNRRCQGIVCNI-VIFPVBQESA-N 290.341 -0.633 50 20 CBGD CN1CCC(=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)C1=O 853389389 HDSVALMGPDYUBG-KOLCDFICSA-N 280.328 -0.816 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H](O)C2CCCCC2)CC1 854379011 LHZUVWIMPHPHSZ-LBPRGKRZSA-N 298.387 -0.084 50 20 CBGD COC(=O)COCC(=O)NNC(=S)N[C@@H](C)C1CC1 855097733 WYBOQADABVZXDG-ZETCQYMHSA-N 289.357 -0.530 50 20 CBGD CC1(C(=O)NNC(=O)c2cc[nH]n2)CCOCC1 855358831 XQDDFVMRLKYCHU-UHFFFAOYSA-N 252.274 -0.013 50 20 CBGD CC[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)[C@H]1CCCO1 858324244 NWTLXMBTKUUMSU-LPEHRKFASA-N 298.343 -0.447 50 20 CBGD COC(=O)COCCNC(=O)NNc1ncncc1F 858830091 PDEMHGPKRGDSRP-UHFFFAOYSA-N 287.251 -0.569 50 20 CBGD Cc1c[nH]ccc1=NC(=O)NNC(=O)[C@H]1CCC(=O)N1 860849527 VIOBJUGLZAVMLZ-SECBINFHSA-N 277.284 -0.757 50 20 CBGD C=CCC(CC=C)C(=O)NNC(=O)CS(C)(=O)=O 863462055 DSHVUACCGQHGHY-UHFFFAOYSA-N 274.342 -0.053 50 20 CBGD CC(=O)c1ccccc1C(=O)NNC(=O)CS(C)(=O)=O 863463668 QICXPHDQOPBTAN-UHFFFAOYSA-N 298.320 -0.305 50 20 CBGD COC(=O)C(C)(C)C(=O)COc1ccc(B(O)O)cc1 863866051 PJTASDRGVMUZOV-UHFFFAOYSA-N 280.085 -0.487 50 20 CBGD COC(=O)C(C)(C)CS(=O)(=O)N1CC[C@H](B(O)O)C1 864232637 RBTIGWLXHOQATF-QMMMGPOBSA-N 293.150 -0.936 50 20 CBGD O=C(NNC(=O)C1CC(F)(F)C1)C(=O)N1CCCC1 1116229229 FQOFWFOVEBHDRI-UHFFFAOYSA-N 275.255 -0.199 50 20 CBGD O=C1C[C@@H](C(=O)NNC(=O)c2ccc[nH]2)CCN1 1116266733 MHKRDQFWAQKWOO-ZETCQYMHSA-N 250.258 -0.698 50 20 CBGD CC[C@H](CO)C(=O)NNc1nc(O)c2cnn(C)c2n1 1119592216 AIZGNWLHSGJWSC-ZCFIWIBFSA-N 280.288 -0.470 50 20 CBGD CN(C)CCn1nccc1C(=O)NNC(=O)NC1CC1 1119593679 FGSFVRKOFGUDFI-UHFFFAOYSA-N 280.332 -0.449 50 20 CBGD O=C(NNc1nc2ccccn2n1)[C@H]1CCS(=O)(=O)C1 1255698491 DXQOKVPXFMCZNB-QMMMGPOBSA-N 295.324 -0.393 50 20 CBGD CC(=O)NNC(=O)c1c(C)oc2ncn(C)c(=O)c12 1261252943 HFHYFLKGPHJZJY-UHFFFAOYSA-N 264.241 -0.384 50 20 CBGD O=C(NNC(=O)c1ccncc1F)C(=O)N1CCCC1 1318672747 FJUMTZNWVNRTPQ-UHFFFAOYSA-N 280.259 -0.396 50 20 CBGD NC(=O)c1ccc(NNC(=O)c2n[nH]c3c2CCC3)nn1 1319076117 CVAUEOZZFMWEHW-UHFFFAOYSA-N 287.283 -0.456 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1C[C@](C)(OC)C1(C)C 1319300237 UETASBYBGSVQLQ-KRTXAFLBSA-N 287.316 -0.307 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cn(C(C)C)cn1 1319675529 JJSOIPXBNQJHRX-UHFFFAOYSA-N 261.307 -0.414 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CCC[C@H]1C 1325120876 XHSZMFNXBINBIG-SFYZADRCSA-N 257.290 -0.074 50 20 CBGD Cc1ncc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)n1C 1328011285 XOEZHPJHBKGXMD-SSDOTTSWSA-N 287.345 -0.884 50 20 CBGD CCn1nnc(C)c1C=NNC(=O)[C@H]1CCC(=O)N1 1329109971 DPVLDRQEYNJDMI-MRVPVSSYSA-N 264.289 -0.665 50 20 CBGD C[C@@H](C(=O)NNC(=O)Cc1ccncc1)S(C)(=O)=O 1330677120 CTFMWAPOZIVFAF-QMMMGPOBSA-N 285.325 -0.795 50 20 CBGD O=C(C[C@@H]1CCC(=O)N1)NNc1ncncc1F 1334422337 SRIUVEHFNAUDBM-LURJTMIESA-N 253.237 -0.273 50 20 CBGD Cc1nnc2n1C[C@H](C(=O)NN(C)[C@@H](C)CO)CC2 1336010649 JTRADFYVXWRJHO-WCBMZHEXSA-N 267.333 -0.507 50 20 CBGD N#CC1=CCN(C(=O)c2cnn(C[C@@H](O)CO)c2)CC1 1362232744 PVNHPHQNSQRPSE-GFCCVEGCSA-N 276.296 -0.468 50 20 CBGD Cn1cc(C(=O)NNC(=O)N[C@@H]2CCO[C@H]2C2CC2)cn1 1522198545 ZUROGRZGGLQPJW-MNOVXSKESA-N 293.327 -0.068 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@H](N)C2(C)C)n[nH]1 1579565216 DNBFQBRCGJMIOI-CBAPKCEASA-N 265.317 -0.147 50 20 CBGD Cc1ccc(C(=O)/C=C/C(=O)NNC(=O)CN)cc1 1579660320 OGOMGNREVUTJHB-VOTSOKGWSA-N 261.281 -0.160 50 20 CBGD CC[C@@H](CNC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)C(=O)O 1603562956 YGUISKOPZZJLTF-QCLAVDOMSA-N 299.327 -0.005 50 20 CBGD COC(=O)NNC(=O)c1cc(-c2nn[nH]n2)cs1 1604950610 GQPLUQRZRQNGDE-UHFFFAOYSA-N 268.258 -0.071 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccc(C(=O)O)o1 1606869473 KLJKPRZBQUETHA-UHFFFAOYSA-N 285.256 -0.042 50 20 CBGD O=C(N/N=C1\C(=O)Nc2cc(F)ccc21)C(=O)NC1CC1 7750290 FBOAQRZJPSHWDU-UHFFFAOYSA-N 290.254 -0.123 50 20 CBGD O=C(NCC1CCCC1)NNC(=O)C(=O)NC1CC1 47015831 JJCLXRRCBLQTGZ-UHFFFAOYSA-N 268.317 -0.214 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1C 126411859 PGHXYKFDHYHKNA-UHFFFAOYSA-N 292.339 -0.049 50 20 CBGD O=C(C#Cc1ccccc1)NNC(=O)C(=O)N1CCCC1 176161611 VIISLYXSHUWOIH-UHFFFAOYSA-N 285.303 -0.192 50 20 CBGD COCCOCCC(=O)NNc1ncnc2nc[nH]c12 265863730 XCYVKWJQEPMZTQ-UHFFFAOYSA-N 280.288 -0.151 50 20 CBGD COc1cc(C)nc(NNC(=O)N[C@@H](C)C(=O)N(C)C)n1 266965823 NRPLNMPBCVQFGW-QMMMGPOBSA-N 296.331 -0.104 50 20 CBGD CC(C)CC(=O)NNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 268453043 MSAUNWHJFNQMFR-IUCAKERBSA-N 286.332 -0.604 50 20 CBGD CCNC(=O)NCCNC(=O)/C(C#N)=C/OCC 294192567 WXLDVHRMXSZVNC-CMDGGOBGSA-N 254.290 -0.134 50 20 CBGD N#C[C@H]1COCCN1S(=O)(=O)CBr 306467471 LHIGQNAKJNCCCA-LURJTMIESA-N 269.120 -0.107 50 20 CBGD COCCCNC(=O)NNC(=O)CCNC(=O)OC 491266068 RHSQMMIOEQLOHA-UHFFFAOYSA-N 276.293 -0.901 50 20 CBGD COc1ncc(/C=C/C(=O)NNC(=O)NC2CC2)cn1 492711031 SXHXIMGIRRFMPG-GORDUTHDSA-N 277.284 -0.009 50 20 CBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1cc(Cl)nc(N)n1 495897347 RXPHZSGDQQLSBG-BBIVZNJYSA-N 286.679 -0.348 50 20 CBGD Cn1ncnc1C=NNC(=O)CNC(=O)OC(C)(C)C 496106827 RZJVNIGVKZNLML-UHFFFAOYSA-N 282.304 -0.210 50 20 CBGD C[C@H](CNC(=O)c1ccc(B(O)O)c(F)c1)N(C)C1CC1 584938952 FMUYDNQCBZEOLZ-SECBINFHSA-N 294.135 -0.282 50 20 CBGD O=C(NCCN1CCSCC1)c1cccc(B(O)O)c1 584943862 HJWPBYSJINTARM-UHFFFAOYSA-N 294.185 -0.855 50 20 CBGD COCCOC[C@@H](C)NC(=O)c1cccc(B(O)O)c1 584953762 XJBXVUPPHQCQHO-SNVBAGLBSA-N 281.117 -0.852 50 20 CBGD O=C(N[C@H]1CCCC[C@@H]1CO)c1ccc(B(O)O)c(F)c1 584959940 MLVWTKZYPQZGIT-MFKMUULPSA-N 295.119 -0.214 50 20 CBGD C[C@H]1CC[C@@H](CO)CN1C(=O)c1ccc(B(O)O)cc1 584968431 XEZHREHLRNPEMC-WDEREUQCSA-N 277.129 -0.401 50 20 CBGD CC(=O)NCCN(C(=O)c1cccc(B(O)O)c1)C(C)C 584973401 BUSOVTGTXKMGJM-UHFFFAOYSA-N 292.144 -0.647 50 20 CBGD C=CCN(C(=O)c1cccc(B(O)O)c1)[C@H]1CCOC1 584980770 KFEILBMNLZSTAD-ZDUSSCGKSA-N 275.113 -0.217 50 20 CBGD CC#CC[C@@H](CO)NC(=O)c1ccc(B(O)O)c(F)c1 585002633 BHWLNJSORJDFME-JTQLQIEISA-N 279.076 -0.990 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@H]2COC[C@@H]2C1 585005241 BVNLYHNNIDYRTG-QWRGUYRKSA-N 293.103 -0.386 50 20 CBGD C[C@@H](CCN1CCCC1)NCc1ccc(B(O)O)o1 585022224 VERXBMBZAAIWKU-NSHDSACASA-N 266.150 -0.077 50 20 CBGD O=C(CCCNCc1cccc(B(O)O)c1)NC1CC1 585023658 KQFINQSBSUQJKT-UHFFFAOYSA-N 276.145 -0.485 50 20 CBGD OCC[C@H]1CCC[C@H]1NCc1ccc(B(O)O)o1 585036590 KCURWHGHAMVEHF-MWLCHTKSSA-N 253.107 -0.400 50 20 CBGD Cc1cc(S(=O)(=O)NCB(O)O)c([N+](=O)[O-])s1 585057106 LRFVGPRKCBUPNI-UHFFFAOYSA-N 280.092 -0.745 50 20 CBGD Cc1ccnn1-c1ccc(C(=O)NCB(O)O)cc1 585061288 VBHPSELOJFAXLQ-UHFFFAOYSA-N 259.074 -0.077 50 20 CBGD CCC[C@H](C)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 733140983 QVCLXKVIRKBIKM-IUCAKERBSA-N 291.373 -0.060 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 733777175 QLSGGLVUUTYSAI-IWSPIJDZSA-N 269.301 -0.774 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NN=C1CCN(C)C1=O 761777274 IKTUWJXIXQVPQT-SNVBAGLBSA-N 282.344 -0.711 50 20 CBGD CCOCC(=O)NNC(=O)NCCc1ccncc1 762669834 OMVDHEUUNHHLBR-UHFFFAOYSA-N 266.301 -0.009 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1=NN(C)C(=O)CC1 771965057 DQIKKQLTAIZRFK-SSDOTTSWSA-N 298.299 -0.916 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H](C)C(=O)N(C)CC 788892582 MWCAAGLZUMFVLC-MRVPVSSYSA-N 274.321 -0.780 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@H](C)S1=O 792391571 GAPVOSWEQCBHGV-IUCAKERBSA-N 287.385 -0.615 50 20 CBGD CC(C[C@H]1CCC(=O)N1)=NNC(=O)CN1CCCC1=O 811635178 ODUURGGNJDSACD-SNVBAGLBSA-N 280.328 -0.230 50 20 CBGD CC[C@H](CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)OC 812594546 GUGSSNJLQCHCND-KOLCDFICSA-N 293.389 -0.208 50 20 CBGD CC(CCCO)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 814816382 SUGXHNWIOIKYHZ-SECBINFHSA-N 277.346 -0.379 50 20 CBGD Cn1cnn(CCC(=O)NNc2cccc(C#N)c2)c1=O 815850998 LQCVIDKFYOVPDK-UHFFFAOYSA-N 286.295 -0.013 50 20 CBGD CN(NC(=O)Cn1nnc2ccccc2c1=O)C1CC1 819643711 LOHDBWVZYUMHGK-UHFFFAOYSA-N 273.296 -0.083 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CS(=O)(=O)C(C)(C)C 821217548 KVWNJPUPRUOOAN-MRVPVSSYSA-N 266.363 -0.457 50 20 CBGD CN(NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C1CC1 823244612 HEBRKBOYEGDZGI-SECBINFHSA-N 273.333 -0.003 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 823976206 ATGXCJNMTQSHRT-JQWIXIFHSA-N 283.372 -0.021 50 20 CBGD CC1=NO[C@@H](C(=O)NNC(=O)CNC(=O)c2ccco2)C1 825267073 QAFOZWRVHDONJW-SECBINFHSA-N 294.267 -0.678 50 20 CBGD CC(=O)NCCCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 825589898 GGGGHXKLXNLWNT-PSASIEDQSA-N 286.332 -0.732 50 20 CBGD O=C(CCn1ccnn1)NNc1ccc(-c2nn[nH]n2)cc1 826409652 JJBNYWZKVBCSTO-UHFFFAOYSA-N 299.298 -0.008 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1COCCO1 826446433 LPGYROAOWYCNKM-JTQLQIEISA-N 290.283 -0.275 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCO[C@H](C)C1 827268444 OQGQELRXZACZHL-KXUCPTDWSA-N 271.317 -0.127 50 20 CBGD O=C(COc1ccc(F)cc1)NNC(=O)[C@]1(O)CCOC1 840240382 JCANUGWOKRCRMF-ZDUSSCGKSA-N 298.270 -0.497 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1cnn(C)c1 843642232 FGQQONYYOJXPSF-MWLCHTKSSA-N 280.328 -0.075 50 20 CBGD Cc1c(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cnn1C 843661908 QURVNWSBPJKOMT-GXSJLCMTSA-N 280.328 -0.157 50 20 CBGD CO[C@@]1(C)C[C@H]1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C 852394649 VTCJJWFCEXCKFZ-UOKLYIGXSA-N 271.317 -0.081 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@@H]1CC[C@H]1C(N)=O)C1CC1 855097870 ZCMWGLOXTRHHQZ-NBEYISGCSA-N 284.385 -0.208 50 20 CBGD O=C1CC[C@@H](C(=O)NNc2ncc(Cl)cn2)N1 857356282 IDXSMMBIMQUDPT-LURJTMIESA-N 255.665 -0.148 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)Cn1nccc1C 860063531 XXQNGMVSJKKAIK-VIFPVBQESA-N 282.300 -0.319 50 20 CBGD CS(=O)(=O)CC(=O)NN=Cc1cccc2c1OCCO2 863187763 DUSGCCYGMGEWOO-UHFFFAOYSA-N 298.320 -0.048 50 20 CBGD CCCSCC(=O)NNC(=O)CS(C)(=O)=O 863459400 BJSVMGJOLGMGLL-UHFFFAOYSA-N 268.360 -0.678 50 20 CBGD COC1(C(=O)NNC(=O)CS(C)(=O)=O)CCCCC1 863464341 CSENDKGBMIKUEY-UHFFFAOYSA-N 292.357 -0.472 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)CN1CCNC(=O)C1 899965961 YVQGJJNTAKYADN-UHFFFAOYSA-N 290.323 -0.812 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@]1(O)CCOC1 899998317 JTIWCASRJQNQCW-JTQLQIEISA-N 261.347 -0.568 50 20 CBGD CCn1cc(C=NNC(=O)N2CCOCC2)nn1 901180175 SONYQOAYUUPPJI-UHFFFAOYSA-N 252.278 -0.326 50 20 CBGD CCC(=O)[C@@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 909335629 JKWQGEVQLDJAKF-LBPRGKRZSA-N 275.113 -0.050 50 20 CBGD CC(C)[C@@H](C(=O)NNC(=O)CN1CCCC1=O)N(C)C 913731056 SGGGNMFXWHDXGJ-LBPRGKRZSA-N 284.360 -0.658 50 20 CBGD CCOc1ccc(O)c(C=NNC(=O)C(N)=O)c1 916273800 BMYHPZPLGGGULT-UHFFFAOYSA-N 251.242 -0.274 50 20 CBGD CC(C)OCCC(=O)NNC(=O)CN1CCCC1=O 920435000 AHGWFRSYRDTSJR-UHFFFAOYSA-N 271.317 -0.429 50 20 CBGD Cc1cc(C(=O)NNC(=S)NCC(=O)NC(C)C)n[nH]1 1116285127 BGFOIFMFDUTNAZ-UHFFFAOYSA-N 298.372 -0.648 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cc(C(F)(F)F)nn1C 1118541020 OWDIKKYIKJRDHF-UHFFFAOYSA-N 293.205 -0.455 50 20 CBGD C[C@@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccc[nH]1 1119149955 LEVLHGDYAYRONZ-VXNVDRBHSA-N 279.300 -0.315 50 20 CBGD C[C@H](O)CN(C)NC(=O)C(C)(C)S(C)(=O)=O 1119646019 YLOZDUICQLCOBM-ZETCQYMHSA-N 252.336 -0.847 50 20 CBGD Cc1nn(C(C)C)cc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1261829844 CSRSBQCDZFNBKO-JTQLQIEISA-N 293.327 -0.188 50 20 CBGD CCn1cc(C(=O)C(=O)NNC(=S)NC(C)C)cn1 1319617837 UTPIXRJWTZOPSV-UHFFFAOYSA-N 283.357 -0.011 50 20 CBGD O=C(CO)NNC(=O)Cc1nnc(O)c2ccccc12 1320376110 AVVLTUXFAIMPRC-UHFFFAOYSA-N 276.252 -0.982 50 20 CBGD Cn1cc(C(=O)NNC(=O)N[C@H]2CCOC2)cn1 1322914341 HOFDOLAQBJVVCA-QMMMGPOBSA-N 253.262 -0.847 50 20 CBGD Cn1ccnc(NNC(=O)c2cnc3[nH]cnc3c2)c1=O 1323177657 PSCAUFQOQIHKKT-UHFFFAOYSA-N 285.267 -0.192 50 20 CBGD CN(NC(=O)c1cnn(-c2ccccn2)c1N)C(N)=O 1324322849 DGIXAQNWNOQEDE-UHFFFAOYSA-N 275.272 -0.495 50 20 CBGD C[C@@H](CN)NC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br 1329570278 GAKCSTACIGQABP-NYNCVSEMSA-N 292.177 -0.261 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccc(F)c(F)c1 1330489820 PTAZQDMEEWFZTR-UHFFFAOYSA-N 287.222 -0.032 50 20 CBGD O=C(NCCOCCF)NNC(=O)c1cn[nH]c1 1332483191 OESGWSGGNUNOCN-UHFFFAOYSA-N 259.241 -0.660 50 20 CBGD O=C(CCc1ccccn1)NNC(=O)C(=O)N1CCCC1 1338087362 ACBQDWUPDXEDEO-UHFFFAOYSA-N 290.323 -0.216 50 20 CBGD C[C@H](NNC(=O)Cn1cnc(C#N)n1)C(F)(F)F 1348383211 HVKQXDRXERFNEJ-YFKPBYRVSA-N 262.195 -0.279 50 20 CBGD COc1ccnc(NNC(=O)[C@@]2(C(=O)O)CCCO2)n1 1574238497 SGKOMBNJVIYTLL-LLVKDONJSA-N 282.256 -0.438 50 20 CBGD CNNC(=O)[C@@H](CCC(N)=O)NC(=O)CCC1CCCC1 1578741848 XZDNXMCOFQLUNZ-LLVKDONJSA-N 298.387 -0.042 50 20 CBGD NC[C@]1(C(=O)NNC(=O)c2ccncc2)CCCOC1 1580235904 HJWAHZDMWDMVLS-CYBMUJFWSA-N 278.312 -0.402 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H]1CC(C(=O)O)=NO1 1588928147 SXJWQYDQHXWSIP-ZCFIWIBFSA-N 274.302 -0.880 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cc(-c2nn[nH]n2)ccc1F 1589882510 OXEGMFRTHCELNU-ZETCQYMHSA-N 294.290 -0.037 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CC[C@@H](CCC(=O)O)O1 1592763062 ZSLKWVODGMPVFY-LPEHRKFASA-N 274.317 -0.257 50 20 CBGD CCO[C@@H](CCNC(=O)NNC(=O)C(=O)O)C(C)C 1596784767 XVHGILFTXCIUCT-QMMMGPOBSA-N 275.305 -0.147 50 20 CBGD O=C(O)CN(C(=O)c1cccc(B(O)O)c1)C1CC1 1602051812 MODUMJOIMIWLQR-UHFFFAOYSA-N 263.058 -0.944 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=S)NCCCC(=O)O 1609880064 VHHLFDWJPZFVKL-HTQZYQBOSA-N 289.357 -0.229 50 20 CBGD NNC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F 144894138 GBTJJVHCYXXPBL-UHFFFAOYSA-N 297.258 -0.026 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CCOc2ccccc21 180960497 RPUVTEMVGIMKDP-VIFPVBQESA-N 250.254 -0.308 50 20 CBGD CN(C)CCN1C[C@H](C(=O)NNc2ncccn2)CC1=O 265063526 RNDQKTXMKXYBKU-SNVBAGLBSA-N 292.343 -0.670 50 20 CBGD CCOC(=O)NCC(=O)NNC(=O)NCC(F)(F)F 281291367 QUCGJCAJCKJDJT-UHFFFAOYSA-N 286.210 -0.375 50 20 CBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1cnn[nH]1 491207610 QLGMZINBJGMIHM-UHFFFAOYSA-N 298.303 -0.520 50 20 CBGD O=S1(=O)CCC[C@@H](COc2ccc(B(O)O)cc2)C1 584910167 NJXJEZQZXOWXTE-JTQLQIEISA-N 284.142 -0.430 50 20 CBGD C[C@@H](CCO)CNC(=O)c1ccc(B(O)O)cc1 584961143 ZKJQTGZXEPMTTD-VIFPVBQESA-N 251.091 -0.885 50 20 CBGD O=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc(B(O)O)cc1 584963738 XGVFKCNJGBVPTQ-JOYOIKCWSA-N 261.086 -0.967 50 20 CBGD C[C@H]1[C@@H](C)N(C(=O)c2cc(B(O)O)ccc2F)CCN1C 584970935 VKSPPMOECCQPGX-VHSXEESVSA-N 294.135 -0.330 50 20 CBGD CO[C@@H](CNC(=O)c1cccc(B(O)O)c1)C1CC1 584995683 XNPDPLPIUKOJKK-LBPRGKRZSA-N 263.102 -0.479 50 20 CBGD C[C@@H](CO)[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 585006812 OYOLFDQQCRDXHO-FZMZJTMJSA-N 291.156 -0.011 50 20 CBGD C[C@H](CO[C@@H]1CCOC1)NCc1ccc(B(O)O)cc1F 585030040 DEDJMOCRRNXZIS-ZWNOBZJWSA-N 297.135 -0.211 50 20 CBGD CCO[C@H]1COCC[C@@H]1NCc1ccccc1B(O)O 585035737 YJVXSKYDQYUMNV-KBPBESRZSA-N 279.145 -0.350 50 20 CBGD CCCN1CC[C@H](NCc2cccc(B(O)O)c2)C1 585049445 GWPRUWPIZIQJMU-AWEZNQCLSA-N 262.162 -0.060 50 20 CBGD CC[C@H](COC)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 739049690 RTSSHPGACQFWKN-MWLCHTKSSA-N 293.389 -0.208 50 20 CBGD Cc1cccc(C(=O)NNC(=O)C(=O)NC(C)C)c1O 753010014 ZJYZBIQTHAOYLT-UHFFFAOYSA-N 279.296 -0.014 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)CCS(=O)(=O)CC 759374243 MJBICLDDFOWTEI-VIFPVBQESA-N 293.389 -0.701 50 20 CBGD O=C(CCN1CCOC1=O)NNc1ncc(F)cn1 760929151 SGTVMISQSNRLOX-UHFFFAOYSA-N 269.236 -0.099 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@]1(O)CCSC1 765541924 GLDBRCZHCYVFJR-NSHDSACASA-N 269.326 -0.346 50 20 CBGD O=C(CN[C@H](CCO)C1CC1)NNC(=O)C1CC1 771805536 VLKMORVBKQKWOQ-SNVBAGLBSA-N 255.318 -0.706 50 20 CBGD CN(NC(=O)C1(S(C)(=O)=O)CCCC1)C(N)=O 778414632 HDRNCQFDNKTOPH-UHFFFAOYSA-N 263.319 -0.615 50 20 CBGD CN1CCN(C(=O)NNC(=O)CNC(=O)C(C)(C)C)CC1 788165509 CKZMTMMGIFJDQX-UHFFFAOYSA-N 299.375 -0.863 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCOC[C@]12CCOC2 799346614 GTRVAOCNABJFJG-CQSZACIVSA-N 299.371 -0.329 50 20 CBGD CC(C)NC(=O)C(=O)NN=Cc1cnc(N(C)C)nc1 814777104 OHHDGZCFVKDXMS-UHFFFAOYSA-N 278.316 -0.483 50 20 CBGD CN(C)CCN1C[C@@H](C(=O)NNC(=O)CC2CC2)CC1=O 819110067 RKIIEDYWMMUGGF-NSHDSACASA-N 296.371 -0.656 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C1CCC=CCC1 825027957 HBKXASXNJOJEQM-UHFFFAOYSA-N 274.342 -0.075 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cnn(C)c1 826846298 NLJIIVUIUBEZIW-APPZFPTMSA-N 267.289 -0.002 50 20 CBGD O=C(NNS(=O)(=O)N1CCCCC1)[C@H]1CCCCO1 830035000 VRYOXLHTTTUIAJ-SNVBAGLBSA-N 291.373 -0.093 50 20 CBGD CN(NC(=O)[C@@]1(c2ccccc2)CNC(=O)C1)C(N)=O 831525716 SEKXPMYSPYZQIF-CYBMUJFWSA-N 276.296 -0.514 50 20 CBGD C[C@H](CNC(=O)NNC(=O)Cc1ccncc1)C(=O)O 848584694 FUYVCMPOAZTFAB-MRVPVSSYSA-N 280.284 -0.325 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 855476357 NOVYLUSVMIQSLY-URNYOCNJSA-N 288.325 -0.641 50 20 CBGD O=C(CC1CCSCC1)NNC(=O)[C@H]1CCC(=O)N1 862455989 LIURONQAOZDFIU-SECBINFHSA-N 285.369 -0.054 50 20 CBGD CCS(=O)(=O)CC(C)=NNC(=O)c1cn[nH]c1 863155027 USQBQFWKJNHPCG-UHFFFAOYSA-N 258.303 -0.050 50 20 CBGD COCCN(CC(F)F)C(=O)c1cccc(B(O)O)c1 863871885 FSNFTUVVCGZDJB-UHFFFAOYSA-N 287.071 -0.280 50 20 CBGD COC(=O)C(C)(C)CNC(=O)c1cccc(B(O)O)c1 863875705 BJOWVZHGNOZTQM-UHFFFAOYSA-N 279.101 -0.705 50 20 CBGD C#C[C@H](NCc1cccc(B(O)O)c1)[C@@H]1CCCO1 863890624 AYAQELCDBNZLES-KBPBESRZSA-N 259.114 -0.363 50 20 CBGD CC[C@@]1(C(=O)NNC(=O)NCC(F)(F)F)CCNC1=O 868027677 YTJAXMKTPTVXKP-SECBINFHSA-N 296.249 -0.205 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=S)NC(C)(C)C)C1=O 899999693 SXESBLCCNSKQDL-ZETCQYMHSA-N 288.373 -0.863 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@]1(c2ccccc2)CNC(=O)C1 910148540 UJHDZVHMMZIKMH-ABAIWWIYSA-N 291.351 -0.212 50 20 CBGD CC1=C(C(=O)NN(C)C[C@@H](C)O)C(=O)OC1(C)C 910167232 FMFUVTAPPSUVGH-SSDOTTSWSA-N 256.302 -0.018 50 20 CBGD C=CC(=O)N(CC)CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 911502463 HIBZCQVJHKDAPM-ZJUUUORDSA-N 283.328 -0.407 50 20 CBGD C[C@@H](NNC(=O)c1cn(C)c(=O)n1C)C(F)(F)F 912898039 FLSTXXQWFODWAJ-RXMQYKEDSA-N 266.223 -0.091 50 20 CBGD O=C(NN=C[C@H]1CCOC1)N[C@@H]1CCS(=O)(=O)C1 1115892710 ISAYCNCIHZVHSD-RKDXNWHRSA-N 275.330 -0.505 50 20 CBGD CC(C)(F)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1116442239 MZLRZYUMJDGKGH-ZCFIWIBFSA-N 281.309 -0.748 50 20 CBGD Cn1cncc1[C@@H]1C[C@H]1C(=O)NNC(=O)C(C)(C)O 1261738491 SFSFPJWRQXKLFE-HTQZYQBOSA-N 266.301 -0.558 50 20 CBGD CNC(=S)N(C)NC(=O)COCc1nnc(C)s1 1261744455 HPACIPCGFAEAEA-UHFFFAOYSA-N 289.386 -0.170 50 20 CBGD O=C(NN=Cc1cccnc1)[C@H]1CCS(=O)(=O)C1 1317720290 XSOVPWNLQCHFET-JTQLQIEISA-N 267.310 -0.034 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)NCC(=O)NC1CC1 1318508060 VELWFBPLYOAAFU-UHFFFAOYSA-N 291.311 -0.767 50 20 CBGD COCCNC(=O)NNc1nc(O)c2cnn(C)c2n1 1319279929 YXTKLLHBRZSSHX-UHFFFAOYSA-N 281.276 -0.659 50 20 CBGD Cc1cc(=O)c(C(=O)NNC(=O)C(C)(C)O)c[nH]1 1320808774 QIMLZGWYQPJMFT-UHFFFAOYSA-N 253.258 -0.785 50 20 CBGD CCOCC(=O)NNC(=O)NCc1ncoc1C 1324890092 LBOXGDZGWGESCS-UHFFFAOYSA-N 256.262 -0.150 50 20 CBGD O=C(CCc1cncs1)NNC(=O)C(=O)N1CCCC1 1324911905 AKRQMLOBPXGCIP-UHFFFAOYSA-N 296.352 -0.155 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1c(C)c(C)nn1C 1326103201 QYOCDVPFTNSEHE-UHFFFAOYSA-N 296.331 -0.332 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2ncccc2F)N1 1328719592 WWIRKJGTDPCYDK-MRVPVSSYSA-N 295.274 -0.670 50 20 CBGD C[C@@H]1C[C@H](CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)[C@@H](C)O1 1328798697 HBAFCYFKSVHOQP-ZYUZMQFOSA-N 298.343 -0.591 50 20 CBGD CC(C)CS(=O)(=O)CC(=O)N1CC[C@@H](B(O)O)C1 1329213936 BOCQEBQSEYYPAS-SECBINFHSA-N 277.151 -0.868 50 20 CBGD Cc1c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)nnn1C 1329539465 OLYANBOBMMBDFD-YUMQZZPRSA-N 267.289 -0.690 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1cscn1 1330118619 JFQYMYDYLJTLLW-UHFFFAOYSA-N 270.314 -0.642 50 20 CBGD Cn1ncc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)n1 1549320222 LDJLMPCENHHKAX-QWRGUYRKSA-N 278.316 -0.872 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1C[C@H](C(F)(F)F)CN1 1576036749 KLUKZTAUOUVZGI-CSMHCCOUSA-N 269.267 -0.129 50 20 CBGD CNC(=O)Nc1cccc(C(=O)NNC(=O)CCCN)c1 1578561397 WZJHCTONQGOPCC-UHFFFAOYSA-N 293.327 -0.062 50 20 CBGD Cc1nnc(NNC(=O)N[C@H]2CCN[C@@H](C)C2)n1C 1579912806 PZGKFDNFTOSLBZ-CBAPKCEASA-N 267.337 -0.110 50 20 CBGD NCCCCCCNCc1cccc(B(O)O)c1 1580293265 KHCHKIVEOYKJOF-UHFFFAOYSA-N 250.151 -0.025 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CCN2)n2cccc21 1580843616 KOCDXMLKMCYWDC-SCZZXKLOSA-N 276.296 -0.485 50 20 CBGD O=C(NNC(=O)[C@@H]1CC[C@H]1C(=O)O)[C@H]1CCCCO1 1594782729 IXDWPVQRSFPXKB-IWSPIJDZSA-N 270.285 -0.186 50 20 CBGD C#CC[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)O 1602685180 OHRCCWAFENGZSY-VQNWOSHQSA-N 272.264 -0.080 50 20 CBGD O=C(O)CNC(=O)NNC(=S)NCCc1ccccn1 1608754579 PVKHTVHGCKJRLK-UHFFFAOYSA-N 297.340 -0.613 50 20 CBGD O=C(O)c1ccc(C(=O)NNC(=O)[C@H]2COCCO2)o1 1608875087 MIOVYTUHJUSKEK-MRVPVSSYSA-N 284.224 -0.846 50 20 CBGD CCCS(=O)(=O)CC(=O)NNC(=O)c1ccccn1 48923186 NFKFJARMVTWFOQ-UHFFFAOYSA-N 285.325 -0.333 50 20 CBGD C[C@@H](NC(=O)c1cccs1)C(=O)NNC(=O)CN(C)C 75653467 OPJZIKSPEHKKOW-MRVPVSSYSA-N 298.368 -0.425 50 20 CBGD CN(C)CC(=O)NNC(=O)c1c(O)cccc1F 163100314 OWAOJUVNFPBDQM-UHFFFAOYSA-N 255.249 -0.146 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CCN2C(=O)CCC2=O)o1 267736504 NIMGTMDGUWSDNT-UHFFFAOYSA-N 293.279 -0.112 50 20 CBGD COC(=O)N(C)CC(=O)NNc1cc(Cl)nc(N)n1 273431934 DQIPEYVOJMEMAZ-UHFFFAOYSA-N 288.695 -0.147 50 20 CBGD CCOC(=O)NCC(=O)NNC(=O)NCCCOC 279550648 AFBIAQLDBJPCQT-UHFFFAOYSA-N 276.293 -0.901 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CCCC(N)=O)n1 279805149 MZJGIVUQIGTGDU-UHFFFAOYSA-N 264.285 -0.193 50 20 CBGD COC(=O)N(C)NC(=O)Cn1ccc(C)cc1=O 286537031 YNOXBVRCTNCOJL-UHFFFAOYSA-N 253.258 -0.114 50 20 CBGD C#CCO[C@H](C)C(=O)NNC(=O)c1cc(C)n[nH]1 295105612 ZLYAJKXEWYVIFF-MRVPVSSYSA-N 250.258 -0.483 50 20 CBGD CN1C[C@@H](C(=O)NNC(=O)[C@H]2CCCCO2)CC1=O 295256772 ATYJYICQPCUTPE-DTWKUNHWSA-N 269.301 -0.819 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cc(C)cnc1OC 495366498 DCDWBSGQGBXEAP-UHFFFAOYSA-N 282.256 -0.276 50 20 CBGD C[C@H]1C[C@@H](C(=O)Nc2cccc(B(O)O)c2)CC(=O)N1 584913718 IPXXPTCBAUOWGA-DTWKUNHWSA-N 276.101 -0.780 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)[C@@H](C)CO1 584929072 ZMVXGWFPBRUNAN-UWVGGRQHSA-N 263.102 -0.384 50 20 CBGD C[C@@H](CNC(=O)c1ccc(B(O)O)cc1)N(C)C1CC1 584940241 RPXWPGYFYCTLQV-JTQLQIEISA-N 276.145 -0.421 50 20 CBGD O=C(NCC1(O)CCSCC1)c1ccc(B(O)O)cc1 584953280 AOTNRPCFJVPEGZ-UHFFFAOYSA-N 295.169 -0.646 50 20 CBGD N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584956591 DKMCGNXJVXDSJL-CABZTGNLSA-N 276.076 -0.072 50 20 CBGD C[C@H](CCn1cncn1)NC(=O)c1ccc(B(O)O)cc1 584960826 NJTDKDOXKSTTGB-SNVBAGLBSA-N 288.116 -0.834 50 20 CBGD O=C(N[C@@H]1CCCC[C@@H]1O)c1ccc(B(O)O)c(F)c1 584965834 UJHPUWOUMMTSHS-NEPJUHHUSA-N 281.092 -0.461 50 20 CBGD CN1CC=C(CNC(=O)c2ccc(B(O)O)c(F)c2)CC1 584970287 AMQIPQZGSUNMLR-UHFFFAOYSA-N 292.119 -0.503 50 20 CBGD C[C@@H](CCO)CCNC(=O)c1cc(B(O)O)ccc1F 584993865 AHCQJTJAHRZYDQ-SECBINFHSA-N 283.108 -0.356 50 20 CBGD C[C@@H](CCCCO)NC(=O)c1cccc(B(O)O)c1 584994568 BDKBSIXVQAZYMZ-JTQLQIEISA-N 265.118 -0.353 50 20 CBGD C[C@@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)CC[C@H]1O 585007319 WRPBTMHNXRTJKG-OASPWFOLSA-N 277.129 -0.354 50 20 CBGD C[C@H]1[C@H](NCc2cccc(B(O)O)c2)CCCN1C 585035547 WBBMCOQGVFMEGP-SMDDNHRTSA-N 262.162 -0.061 50 20 CBGD CC1(C)[C@@H](O)C[C@H]1NCc1ccc(B(O)O)cc1F 585036892 ROBUPJUYZQTORL-NEPJUHHUSA-N 267.109 -0.246 50 20 CBGD OC[C@@H](NCc1ccc(B(O)O)cc1)[C@H]1CCCOC1 585045469 BHXPTAPMZCZKMO-GXTWGEPZSA-N 279.145 -0.757 50 20 CBGD CC(=O)N[C@H](C(=O)N1CC[C@H](B(O)O)C1)C1CCCC1 585072799 RPBNVQOGVCGKGY-RYUDHWBXSA-N 282.149 -0.243 50 20 CBGD COCCCNC(=O)NN=C1CCCS(=O)(=O)C1 731925767 VJILOJHTGCFYRW-UHFFFAOYSA-N 277.346 -0.113 50 20 CBGD CN1CCN(C)[C@@H](CNC(=O)NNC(=O)CC(C)(C)C)C1 732254121 UCADCEHMIFLYBE-NSHDSACASA-N 299.419 -0.001 50 20 CBGD CN(CC(=O)NNC(=O)CNc1ccccc1)C(=O)O 737392857 BWCHCJKSHRAYSN-UHFFFAOYSA-N 280.284 -0.144 50 20 CBGD CN1C[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)CC1=O 750653530 VZBYYMSYHDAGMW-ZETCQYMHSA-N 265.273 -0.811 50 20 CBGD CCO[C@H](CC)C(=O)NNC(=O)CNC(=O)c1ccco1 751203871 SZUQQDIGZJMWPF-SECBINFHSA-N 297.311 -0.028 50 20 CBGD O=C(CC(=O)NNc1cccnn1)NCC(F)(F)F 753080722 SUDOEEHRNVHFAU-UHFFFAOYSA-N 277.206 -0.012 50 20 CBGD CCOCC(=O)NNC(=O)Nc1nc2ccccn2n1 760036602 GNGFHPQKIUNKJK-UHFFFAOYSA-N 278.272 -0.082 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)c(C)n1 764204052 HYQLMBUREWIYNZ-UHFFFAOYSA-N 293.327 -0.654 50 20 CBGD CC(C)(C(N)=O)C(=O)NNc1nc2ccccn2n1 768278668 GZIWGLRWJUSRKW-UHFFFAOYSA-N 262.273 -0.316 50 20 CBGD O=C(CN[C@H](CCO)c1ccco1)NNC(=O)C1CC1 769220013 GXADJHUIQVIEBV-SNVBAGLBSA-N 281.312 -0.150 50 20 CBGD Cc1cccc(F)c1NNC(=O)[C@H](CO)NC(N)=O 771707117 JQMBYRVRTKWLBS-QMMMGPOBSA-N 270.264 -0.394 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN[C@H](CCO)C1CC1 771800147 GNCZWBNNQLNWBC-SNVBAGLBSA-N 271.361 -0.070 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)NC(=O)CC 771996539 XHPVKJMVHFOONS-JGVFFNPUSA-N 287.316 -0.610 50 20 CBGD C[C@@H]1CC[C@H](C(=O)NNC(=O)C(=O)NC2CC2)C1 776339848 XEVSVMLDGFBNDK-SFYZADRCSA-N 253.302 -0.151 50 20 CBGD O=C(CC1CC1)NNC(=O)[C@H]1CCCCS1(=O)=O 819132009 VLBDGEYQMWETMP-SECBINFHSA-N 274.342 -0.099 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 823897503 DYBPOXVUTPCEJJ-JTQLQIEISA-N 293.389 -0.997 50 20 CBGD COC(=O)[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc[nH]2)C1 824177185 OOICZFKUWIDUJV-ZKCHVHJHSA-N 280.284 -0.090 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21 824627739 VFHSUWQZNBWSRZ-IVZWLZJFSA-N 282.344 -0.016 50 20 CBGD CO[C@H]1CCC[C@H](C(=O)NNC(=O)CN(C)C)C1 825708306 FLYKBIYBJMGKIS-UWVGGRQHSA-N 257.334 -0.099 50 20 CBGD O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cnn[nH]1 826448365 SDWOTZGDMUTWQY-UHFFFAOYSA-N 271.244 -0.258 50 20 CBGD CC(C)N1CCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 827015373 IHSKHDAZQXUQNK-VHSXEESVSA-N 282.344 -0.715 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc([N+](=O)[O-])n[nH]1 843972896 WCAPHDFDCOCPDC-PHDIDXHHSA-N 283.244 -0.496 50 20 CBGD CON1CCN(CC(=O)NNC(=O)C(C)(C)C)CC1 846978620 MWQPQVOPKPXGRA-UHFFFAOYSA-N 272.349 -0.641 50 20 CBGD CC(C)(CO)C(=O)NNC(=O)N=c1cc[nH]cc1 848045444 YPGKEMWUZKCDQZ-UHFFFAOYSA-N 252.274 -0.325 50 20 CBGD COC(=O)c1cccc(NNC(=O)[C@@H]2CC(=O)N2)c1F 854884924 SYLKZUFKTPGFNF-QMMMGPOBSA-N 281.243 -0.056 50 20 CBGD O=C(NN=c1cc[nH]cc1Cl)[C@@]1(O)CCOC1 857488887 YFVNYNDUJDCCHE-SNVBAGLBSA-N 257.677 -0.249 50 20 CBGD Cc1cocc1C(=O)NNC(=O)C(=O)N1CCCC1 858936177 UIRMLWDEEOWEPG-UHFFFAOYSA-N 265.269 -0.029 50 20 CBGD COc1cc(C)nc(NNC(=O)NC[C@H]2COCCN2)n1 861683295 JRQWYYJABPLADB-VIFPVBQESA-N 296.331 -0.592 50 20 CBGD CN1C(=O)C(=NNC(=O)[C@@H]2CCC(=O)N2)c2ccccc21 863147163 ZZSJSTRFADMPDA-VIFPVBQESA-N 286.291 -0.238 50 20 CBGD Cc1conc1C(=O)NNC(=O)N1CCOCC1 865047031 SJVQSJUPEURKCN-UHFFFAOYSA-N 254.246 -0.330 50 20 CBGD CC[C@]1(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CCNC1=O 869069284 ZTOAOCUJHFDIKT-KKFJDGPESA-N 283.328 -0.525 50 20 CBGD COCCOCC(=O)NNC(=O)Cn1cc(C2CC2)cn1 869903081 IUMJJCLFYJRFQY-UHFFFAOYSA-N 296.327 -0.429 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F 874194359 IOQQQRTVSCNAJL-WDSKDSINSA-N 296.249 -0.349 50 20 CBGD CN1C(=O)CCC[C@@H]1C(=O)NNC(=O)CC1CC1 908446763 COOZBZIVQMCSNL-SECBINFHSA-N 253.302 -0.055 50 20 CBGD O=C(CCc1ccccn1)NNC(=O)CN1CCCC1=O 913730716 GFGADLPPJNPGHJ-UHFFFAOYSA-N 290.323 -0.216 50 20 CBGD C[C@]1(C(=O)NNC(=O)CN2CCCC2=O)CC1(F)F 913733650 QHJMQLNFLSQPKU-SNVBAGLBSA-N 275.255 -0.199 50 20 CBGD CC(CCN(C)C)=NNC(=O)[C@H]1CCS(=O)(=O)C1 915957767 UVHJXINBSXYCDO-JTQLQIEISA-N 275.374 -0.135 50 20 CBGD COC(=O)C(=O)NNC(=O)NC1CCSCC1 1116182059 RZQFMRDILCJRPT-UHFFFAOYSA-N 261.303 -0.615 50 20 CBGD O=C1CC[C@H](CC(=O)NNC(=O)c2cn[nH]c2)CN1 1118884674 NBKMCNDYCAGTLB-SSDOTTSWSA-N 265.273 -0.913 50 20 CBGD CCn1cc(C(=O)C(=O)NNC(=O)c2cccn2C)cn1 1253711208 BOMUPNVFGFRVLK-UHFFFAOYSA-N 289.295 -0.115 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@H]2CC23CCOCC3)N1 1261790575 PHUQQWSQUJYCIY-IUCAKERBSA-N 296.327 -0.836 50 20 CBGD CCc1cc(NC(=O)C(=O)NNC(=O)CC2CC2)n(C)n1 1321153887 IAIXOLGDEJNUSM-UHFFFAOYSA-N 293.327 -0.132 50 20 CBGD C=C[C@@H](COC)NC(=O)NNC(=O)c1cnn(C)c1 1325616509 WAZDGUJXIPELBS-VIFPVBQESA-N 267.289 -0.435 50 20 CBGD Cn1ccc(NNC(=O)CN2CCCCC2=O)n1 1326697109 IIIBFTODCRPONL-UHFFFAOYSA-N 251.290 -0.124 50 20 CBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)c1ccc[nH]1 1328784079 SUGPAKIRTUQRPY-VIFPVBQESA-N 252.274 -0.454 50 20 CBGD CS(=O)(=O)C1(C(=O)NNc2ccncn2)CCC1 1329045039 SNFRIEYPWOTKAS-UHFFFAOYSA-N 270.314 -0.113 50 20 CBGD CN(C[C@@H]1CCCOC1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329192194 RKZOXJNKLZZTBS-UWVGGRQHSA-N 298.343 -0.636 50 20 CBGD N#CC1(C(=O)NNC(=O)c2cn[nH]c2)CCOCC1 1329200770 HDTCGIQMAHHTNV-UHFFFAOYSA-N 263.257 -0.509 50 20 CBGD Cn1nncc1S(=O)(=O)NNC(=O)C(C)(C)C 1329568420 GKGVVBWXNLRKQV-UHFFFAOYSA-N 261.307 -0.829 50 20 CBGD C[C@H](N)CNC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br 1331385275 BGHTVOGCLBMQKX-BYULHYEWSA-N 292.177 -0.261 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccnc(F)c2F)N1 1333252812 HNNWCJHDHZEQLO-LURJTMIESA-N 284.222 -0.601 50 20 CBGD C[C@H](C(=O)NNC(=O)NC1CC1)[C@@H]1CCC(=O)N1 1334938442 BDTDVFCNPVSACR-XPUUQOCRSA-N 254.290 -0.606 50 20 CBGD CC(C)C(=O)NNC(=O)[C@H]1CC(c2cnn(C)c2)=NO1 1346266010 YZSNCOUQSBHTOC-SNVBAGLBSA-N 279.300 -0.284 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCc2nn[nH]c21 1351035229 QIOOJTKZSXYTIX-XHNCKOQMSA-N 293.327 -0.203 50 20 CBGD Nc1ncc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)cn1 1549320752 NULKDFOYJUSRTN-WDEREUQCSA-N 290.327 -0.628 50 20 CBGD CS(=O)(=O)SCCNC(=O)C#CC1CCNCC1 1579349068 SSCQNIOYWNDFGZ-UHFFFAOYSA-N 290.410 -0.202 50 20 CBGD Cn1nc(N)cc1C(=O)NNC(=O)c1ccccn1 1579996672 PWFIWNRTUSOOET-UHFFFAOYSA-N 260.257 -0.528 50 20 CBGD O=C(C[C@@]1(O)CCCNC1)NNC(=O)[C@H]1CCCS1 1580497667 FYLXIFNQRCMMQY-SKDRFNHKSA-N 287.385 -0.466 50 20 CBGD CC(C)[C@H](C(=O)O)C(=O)NNC(=O)c1cnn(C)c1 1588808546 RLZXKTUHXWUDSQ-QMMMGPOBSA-N 268.273 -0.462 50 20 CBGD CC(=NNC(=O)NCC(=O)O)C(C)(C)n1cncn1 1589012527 QFGRZTROOOMKCY-UHFFFAOYSA-N 268.277 -0.227 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1cncnc1 1593163401 SVOHOQXJBBRYHT-UHFFFAOYSA-N 283.255 -0.191 50 20 CBGD CO[C@@](C)(C(=O)O)C(=O)NNc1nc2ccccn2n1 1593926540 JWBKIIKPSUQZPI-LLVKDONJSA-N 279.256 -0.338 50 20 CBGD O=C(O)CCNC(=O)NNC(=O)[C@@H]1CCCS1 1595059159 FDEVFOYPNCUFLO-LURJTMIESA-N 261.303 -0.313 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@H](CC(=O)O)C1CC1 1596861546 OVGZSHAZJLQEBY-VIFPVBQESA-N 287.316 -0.146 50 20 CBGD Cn1nc(Br)cc1C=NNC(=O)C(=O)O 1600999188 RSSQNNIWKNRRTG-UHFFFAOYSA-N 275.062 -0.283 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)C1(C(=O)O)CC1 1601371503 PXQQKMFHJCIJKW-UHFFFAOYSA-N 263.253 -0.364 50 20 CBGD COC[C@@](C)(NS(=O)(=O)CBr)C(=O)O 1606792069 VKUNUTIWWZMNIW-ZCFIWIBFSA-N 290.135 -0.252 50 20 CBGD C[C@@H](OC(=O)/C(C#N)=C/C1CC1)C(=O)NCC(=O)O 1609792446 WYGMOYCWDHGLRS-WDTYERQASA-N 266.253 -0.021 50 20 CBGD O=C(NNC(=O)C1CC1)C(=O)Nc1ccc(C(=O)O)cc1 1610700573 SMOXWHAGSWUXBB-UHFFFAOYSA-N 291.263 -0.119 50 20 CBGD CC(C)CCn1cc(C(=O)NNC(=O)CN(C)C)nn1 129351048 IFPOJLAKEYOIFK-UHFFFAOYSA-N 282.348 -0.353 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cc(C)nn2C)[nH]n1 151179832 ANVPGJSIJMNLMQ-UHFFFAOYSA-N 262.273 -0.165 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)c2ccncc2)C1 191655315 VHBFVRYLJAWRSP-UHFFFAOYSA-N 262.269 -0.679 50 20 CBGD Cc1oc(C(=O)NN)cc1S(=O)(=O)N1CCCC1 192505144 TVAKJKMNYAWFKY-UHFFFAOYSA-N 273.314 -0.024 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1cccc(OC)n1 272573602 WRRIKUICDHKYOR-UHFFFAOYSA-N 282.300 -0.362 50 20 CBGD Cc1cccnc1NNC(=O)CN1C(=O)C(=O)N(C)C1=O 276805015 YXMQJVWKTDMYBZ-UHFFFAOYSA-N 291.267 -0.746 50 20 CBGD CC(C)(NS(C)(=O)=O)C(=O)NNc1cccc(F)n1 286560193 KQRVKSQJURIUBE-UHFFFAOYSA-N 290.320 -0.008 50 20 CBGD COCCCNC(=O)NNC(=O)Cn1ccccc1=O 298623283 USAUMXYXXBNPPG-UHFFFAOYSA-N 282.300 -0.785 50 20 CBGD COC(=O)NCC(=O)NNC(=O)COc1ccc(F)cc1 299177243 XPZMFVIHSJMSHS-UHFFFAOYSA-N 299.258 -0.292 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 371346058 UKDJUNZQLOPFIK-DDXVTDLHSA-N 287.341 -0.290 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 490783751 UKDJUNZQLOPFIK-QROTZFDESA-N 287.341 -0.290 50 20 CBGD COCCN(C)CCCNC(=O)c1ccc(B(O)O)cc1 584929946 WBETWVPBMVAVDT-UHFFFAOYSA-N 294.160 -0.936 50 20 CBGD C[C@@]1(CNC(=O)c2ccc(B(O)O)cc2)CCCO1 584958677 WUQJNOODVSYKQB-ZDUSSCGKSA-N 263.102 -0.335 50 20 CBGD C[C@H]1C[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 585001167 SGSIWJGMDOLRPW-GZMMTYOYSA-N 285.112 0.465 50 20 CBGD CCCN(C(=O)c1ccc(B(O)O)cc1)[C@@H]1CCN(C)C1 585003627 NNXDHHFLACQMFR-CQSZACIVSA-N 290.172 -0.077 50 20 CBGD CCN(CC)C(=O)CCCNCc1ccc(B(O)O)o1 585022394 YLWCFQBEVNQMOU-UHFFFAOYSA-N 282.149 -0.302 50 20 CBGD OB(O)c1ccc(CNCCOC[C@H]2CCCO2)o1 585030177 XOYARPFKQQMPNL-LLVKDONJSA-N 269.106 -0.755 50 20 CBGD CC(C)C(=O)NCCNCc1ccc(B(O)O)cc1 585033023 UWWBCRVEHTUHPK-UHFFFAOYSA-N 264.134 -0.772 50 20 CBGD C[C@H]1[C@@H](NCc2ccc(B(O)O)cc2)CCCN1C 585034618 KPQVYTVGRQMAPL-FZMZJTMJSA-N 262.162 -0.061 50 20 CBGD O=C1CC[C@H](NCc2ccccc2B(O)O)[C@H](C2CC2)N1 585041434 CQMDHAGAUSOPRB-ZFWWWQNUSA-N 288.156 -0.487 50 20 CBGD Cc1cnc(CCNCc2ccc(B(O)O)cc2F)cn1 585044659 POPIYKXYNCRTJP-UHFFFAOYSA-N 289.119 -0.064 50 20 CBGD C=C[C@@H]1OCC[C@H]1CNCc1ccc(B(O)O)o1 585047302 AAMODGQIPFWRAQ-ONGXEEELSA-N 251.091 -0.360 50 20 CBGD C[C@](CO)(CCF)NCc1ccc(B(O)O)cc1F 585049849 LJONHRGCDDIRTD-GFCCVEGCSA-N 273.088 -0.294 50 20 CBGD O=C([C@@H]1COc2ccc(O)cc2O1)N1CC[C@@H](B(O)O)C1 585067755 UUTMRFVJSQNJHJ-PELKAZGASA-N 293.084 -0.393 50 20 CBGD C[C@H]1CN(CCNC(=O)NNc2cccnn2)CCO1 737044529 QALNAXNVRLEVAC-JTQLQIEISA-N 280.332 -0.177 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)C)[C@H]1CCCCNC1=O 744393531 NYUOQTAAQHTKHC-JTQLQIEISA-N 298.387 -0.220 50 20 CBGD C[C@H](NC(=O)NNC(=O)Cc1ccncc1)C(=O)N(C)C 747495381 MMNAHOKXQAOPKP-VIFPVBQESA-N 293.327 -0.569 50 20 CBGD CNC(=O)NNS(=O)(=O)c1sc(C)nc1C 751211549 ROYKIHBFXPJSSB-UHFFFAOYSA-N 264.332 -0.118 50 20 CBGD Cc1ccc(NNC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)nn1 759772810 BBRJRKIPFLPXSJ-RKDXNWHRSA-N 294.315 -0.556 50 20 CBGD Cc1cc(C)c(NC(=O)C(=O)NNC(=O)CO)c(C)c1 764428579 HPFIHMHQMNGPEL-UHFFFAOYSA-N 279.296 -0.310 50 20 CBGD COC(=O)CCCC(=O)NNC(=O)Cc1cc[nH]n1 764464394 ZDFYAGMLXRJNSS-UHFFFAOYSA-N 268.273 -0.557 50 20 CBGD CS(=O)(=O)NCC(=NNC(N)=O)c1ccccc1 766677508 DXPQZRGNFIDOOD-UHFFFAOYSA-N 270.314 -0.392 50 20 CBGD COC[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@H](C)O1 784374085 WMFLZYTXXNZLDL-GXSJLCMTSA-N 285.344 -0.721 50 20 CBGD CCNC(=O)NNC(=O)CC[C@@]1(C)CCC(=O)N1 793206756 JFVVCXMWEJIXEP-LLVKDONJSA-N 256.306 -0.214 50 20 CBGD Cc1c[nH]cc1C(=O)NNC(=O)N1CCN(C)CC1 807381944 QACUZAIFGPBSPH-UHFFFAOYSA-N 265.317 -0.075 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 818414577 BEOFSXMARDUCNM-IQJOONFLSA-N 295.339 -0.430 50 20 CBGD C[C@H](CO)N(C)NC(=O)Cn1cc(Br)cn1 823971491 VHACGJJTNZIUQH-SSDOTTSWSA-N 291.149 -0.011 50 20 CBGD CC[C@@H](CO)N(C)CC(=O)NNC(=O)C(C)(C)C 830348820 MWOZBAQYUYOYPF-VIFPVBQESA-N 259.350 -0.117 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H](C)C[C@@H](C)N)n1 831203396 UZQNOVTUWJNERL-BDAKNGLRSA-N 296.375 -0.044 50 20 CBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)O)cn1C 831348334 BZSIZUVCNYZOPV-UHFFFAOYSA-N 277.258 -0.727 50 20 CBGD CCNC(=O)N(C)NC(=O)CNC[C@H]1CCCO1 831945807 WNRLUGYOCYPRPT-SECBINFHSA-N 258.322 -0.553 50 20 CBGD CCC[C@H](O)CCNC(=O)c1cccc(B(O)O)c1 832694753 GRBAJRVWQUPZES-LBPRGKRZSA-N 265.118 -0.353 50 20 CBGD Cc1cccc(C(=O)NNC(=O)C[C@H]2CCC(=O)N2)n1 834816331 SPNXRSQPEGMMDA-SECBINFHSA-N 276.296 -0.180 50 20 CBGD O=C(Cn1nnc2c1CCCC2)NNC(=O)C1CC1 847285362 ISJXRKWBHXHACC-UHFFFAOYSA-N 263.301 -0.286 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)N1 858538278 UYWYPAATSHGQHA-RGOKHQFPSA-N 280.328 -0.216 50 20 CBGD Cc1ncc(/C=C/C(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 862454704 IVQTXNCQILRSAG-HDMKULJXSA-N 294.336 -0.109 50 20 CBGD C=C[C@](C)(CCOC)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862459784 BDQNOWPWAIAAPG-NOZJJQNGSA-N 283.328 -0.359 50 20 CBGD Cc1cc(=NNC(=O)[C@H]2NC(=O)O[C@@H]2C)cc[nH]1 862512059 IQTMTSNLBZMIME-APPZFPTMSA-N 250.258 -0.248 50 20 CBGD O=S(=O)(c1cn2c(n1)CCCC2)N1CC[C@@H](B(O)O)C1 864232293 ZIMNCYCVLKYLTD-SECBINFHSA-N 299.161 -0.543 50 20 CBGD CN1C[C@@H](C(=O)NNc2ccc(C#N)cn2)CC1=O 899664536 YHNOHPJENAGLCI-VIFPVBQESA-N 259.269 -0.125 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@@]1(C)CCNC1=O 899999686 SSVXMHJCVQRIGU-NSHDSACASA-N 272.374 -0.194 50 20 CBGD C#Cc1ccc(C(=O)NNC(=O)CN2CCCC2=O)nc1 913730857 LTBYXWWRPMCLDA-UHFFFAOYSA-N 286.291 -0.554 50 20 CBGD CCn1c(=O)nc(O)c2c(C(=O)NN)cc(C3CC3)nc21 914447757 DFFAFMODZKUKSC-UHFFFAOYSA-N 289.295 -0.002 50 20 CBGD CC(C)NC(=O)CCNC(=O)NNC(=O)c1ccc[nH]1 916268881 CJLALRYCMVRWQU-UHFFFAOYSA-N 281.316 -0.127 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@@H]1COCC[C@H]1OC 934038726 ZTGPTKHXIOFMFW-OPRDCNLKSA-N 273.333 -0.674 50 20 CBGD C[C@H]1C[C@H](CNC(=O)NNC(=O)C(=O)NC2CC2)CCO1 1116457076 GZBSWPYYBRWQBU-DTWKUNHWSA-N 298.343 -0.590 50 20 CBGD Cc1c(F)cccc1NC(=O)C(=O)NNC(=O)CCO 1116623056 AZYDOJDSKZECIN-UHFFFAOYSA-N 283.259 -0.398 50 20 CBGD CNCCNC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br 1118766505 JQANPNJCLLQADH-XVKPBYJWSA-N 292.177 -0.388 50 20 CBGD COC1(C(=O)NNC(=O)c2cn[nH]c2)CCOCC1 1119275625 MZXGDOSMXVPASX-UHFFFAOYSA-N 268.273 -0.634 50 20 CBGD CCO/C=C(/C#N)C(=O)N(C)CCNS(C)(=O)=O 1253374681 QLRSTEVJLSADKC-HJWRWDBZSA-N 275.330 -0.562 50 20 CBGD N#C[C@H]1CC[C@@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 1312902238 SNUYFGAFNKGWAQ-DJLDLDEBSA-N 279.300 -0.712 50 20 CBGD COC(=O)C(=O)NN=Cc1ccc(C(=O)N(C)C)[nH]1 1319133836 JHAIPIFOACDPEB-UHFFFAOYSA-N 266.257 -0.660 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)c1ccc[nH]1)S(C)(=O)=O 1319685992 CQLRNBBMYNVDLC-ZETCQYMHSA-N 288.329 -0.608 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cccc(-n2ccnn2)c1 1320234338 BFRUQSBLNNXUHX-UHFFFAOYSA-N 288.267 -0.627 50 20 CBGD C[C@@H](C[S@](C)=O)NC(=O)NNC(=O)Cc1ccncc1 1320943754 GJPFJRWDVPSTLC-LXGOIASLSA-N 298.368 -0.279 50 20 CBGD Cn1ncc(C(=O)NNC(=O)NC2CCCC2)c1N 1321061684 JEPATTCLVBVPNZ-UHFFFAOYSA-N 266.305 -0.111 50 20 CBGD Cc1ncsc1CNC(=O)NNC(=O)C(=O)NC1CC1 1322530993 MLCKOBWUYLVGLR-UHFFFAOYSA-N 297.340 -0.439 50 20 CBGD Cn1cc(/C=C(/C#N)c2ccncn2)c(=O)n(C)c1=O 1325381841 DFADBMUACXTONT-UITAMQMPSA-N 269.264 -0.062 50 20 CBGD COCCCNC(=O)NNC(=O)c1[nH]c(O)nc1C 1329038707 JSMDDZFIBDEZAG-UHFFFAOYSA-N 271.277 -0.596 50 20 CBGD Cc1nnc(O)c(CNCc2ccccc2B(O)O)c1C 1330627740 XKNOZBGPJCPHGW-UHFFFAOYSA-N 287.128 -0.231 50 20 CBGD C[C@H](C(=O)NNC(=O)CN1CCCC1=O)n1cccc1 1335089017 DNQVWMVTFDATJZ-SNVBAGLBSA-N 278.312 -0.181 50 20 CBGD O=C(C1CC1)N1CCC[C@H](C(=O)N2CC[C@@H](B(O)O)C2)C1 1335430303 FIZCBVMBZKFFOP-NWDGAFQWSA-N 294.160 -0.290 50 20 CBGD C[C@@H](C(=O)NNc1ncccn1)[C@@H](C)S(C)(=O)=O 1339549854 VHDNUMJBVORGKE-HTQZYQBOSA-N 272.330 -0.011 50 20 CBGD CC[C@@]1(C(=O)NNc2ccn(C)n2)CCNC1=O 1349689010 WBWXAYJWYGFPOF-LLVKDONJSA-N 251.290 -0.221 50 20 CBGD CCCN(CC(=O)O)[C@@H](C)C(=O)NNC(=O)CC 1589667636 GYFKZBQILKUNHK-QMMMGPOBSA-N 259.306 -0.271 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@]2(C(=O)O)CC2(C)C)nn1 1594530152 AOGZAKVZULNHNI-NSHDSACASA-N 281.272 -0.923 50 20 CBGD Cn1ncc2c1CCCC2=NNC(=O)NCC(=O)O 1601031271 ZLIWYVRHNJBOIS-UHFFFAOYSA-N 265.273 -0.156 50 20 CBGD Cn1cc(C(=O)NN=C2CC[C@H](C(=O)O)C2)nn1 1608098393 HOXHLVCUEGORRZ-LURJTMIESA-N 251.246 -0.214 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(C(=O)O)s2)N1 1609035628 KMMFLQLSYSGHQF-YFKPBYRVSA-N 297.292 -0.514 50 20 CBGD O=C(NNc1nc[nH]n1)c1sccc1-c1nn[nH]n1 1609559993 OVDGCORBXFFZPF-UHFFFAOYSA-N 277.273 -0.197 50 20 CBGD NC(=O)NN=Cc1ccn([C@H]2C[C@H](C(=O)O)C2)n1 1776032910 DYXLPTHBGBDYBG-FKQCQYRASA-N 251.246 -0.079 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cccc(=O)n2C)[nH]n1 153901169 PAMSJHRRTGIAMZ-UHFFFAOYSA-N 275.268 -0.508 50 20 CBGD O=C(CO)NNC(=O)c1ccn(-c2ccc(F)cc2F)n1 186447036 UJYDKCGUWNFLOS-UHFFFAOYSA-N 296.233 -0.096 50 20 CBGD CCOC(=O)/C(C#N)=C/NC[C@H]1CC[C@@H](C(N)=O)O1 268337247 BTXYEYSNYJSZRZ-ZQMPTTJKSA-N 267.285 -0.421 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H](NC(N)=O)C(C)(C)C 283702981 LJSZQJBOVXSFIP-SECBINFHSA-N 295.343 -0.131 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)c1cnsn1 295387954 LFEJKUCUJBFHGE-SSDOTTSWSA-N 256.287 -0.132 50 20 CBGD CC(=O)NCC(=O)NNC(=O)COc1cc(C)ccc1C 298273134 LFPYNBNOMVUTJO-UHFFFAOYSA-N 293.323 -0.034 50 20 CBGD CC(C)CN1N=C(C(=O)NNC(=O)N(C)C)CCC1=O 363808198 AIQITLJLEROEKB-UHFFFAOYSA-N 283.332 -0.077 50 20 CBGD Cc1nnc(NNC(=O)CNC(=O)OC(C)(C)C)nc1O 490868152 UATDRDIEINURKL-UHFFFAOYSA-N 298.303 -0.147 50 20 CBGD CO[C@@H](C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 494458168 YQPZRGVVZJBHCS-ZETCQYMHSA-N 275.305 -0.307 50 20 CBGD CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NNC(=O)CO)C1 496714979 KAGAOALJTRSEDZ-QMMMGPOBSA-N 299.327 -0.617 50 20 CBGD CC(C)(C)[C@@H](O)CNC(=O)c1ccc(B(O)O)c(F)c1 584959471 HJELKQMZMDEBDU-NSHDSACASA-N 283.108 -0.358 50 20 CBGD C[S@](=O)C1(CNC(=O)c2ccc(B(O)O)cc2)CCC1 584986542 ZNRUCIPDYHCVAX-FQEVSTJZSA-N 295.169 -0.603 50 20 CBGD C[C@H]1C[C@@H](CO)CN(C(=O)c2cc(B(O)O)ccc2F)C1 584999273 FAESFIOJUMSIJU-VHSXEESVSA-N 295.119 -0.404 50 20 CBGD C[C@@H](CN1CCCC1=O)NCc1ccc(B(O)O)cc1F 585018766 RRICGAJYXNGGKO-JTQLQIEISA-N 294.135 -0.394 50 20 CBGD CCO[C@H]1C[C@@H]1NCc1ccc(B(O)O)cc1F 585038674 KEZCZTHLVMSFJY-RYUDHWBXSA-N 253.082 -0.228 50 20 CBGD OC[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NCc1cccc(B(O)O)c1 585039787 BPGQJFXCWMCDNA-DDHJSBNISA-N 275.157 -0.137 50 20 CBGD Cn1cnc(CCCNCc2ccc(B(O)O)cc2F)n1 585048445 PMQPVXWUNPYNQW-UHFFFAOYSA-N 292.123 -0.644 50 20 CBGD CC(=O)N(C)Cc1nc(-c2ccc(B(O)O)cc2)no1 585049836 YAFKFDLZCKPGKJ-UHFFFAOYSA-N 275.073 -0.605 50 20 CBGD O=C(CNC(=O)c1ccco1)NN=C1CCOC1 731926521 IMGTUWTZYXQPDW-UHFFFAOYSA-N 251.242 -0.098 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 733359470 PDWJMEFASIEHSH-VIFPVBQESA-N 284.360 -0.658 50 20 CBGD CC(=O)NNC(=O)CNc1ccc(-c2nn[nH]n2)cc1 735481753 LKURNEDVZZLTAE-UHFFFAOYSA-N 275.272 -0.554 50 20 CBGD CN(C)C(=O)NNC(=O)CCn1ccccc1=O 746001239 CHRMWZYKSLGABB-UHFFFAOYSA-N 252.274 -0.459 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)c2ccc[nH]2)o1 746796600 SWKVZQXTNYCZLD-UHFFFAOYSA-N 262.225 -0.219 50 20 CBGD CN(C)c1ncc(C=NNC(=O)C(=O)NC2CC2)s1 755612458 WLTLKCDOQQCHJV-UHFFFAOYSA-N 281.341 -0.062 50 20 CBGD COc1cc(C#N)ccc1NC(=O)NNC(=O)CO 766240693 GBHSZIYLTDSDAQ-UHFFFAOYSA-N 264.241 -0.288 50 20 CBGD CN(NC(=O)CN1C(=O)c2ccccc2C1=O)C(N)=O 778417736 DGOAPOWPLWTAAC-UHFFFAOYSA-N 276.252 -0.676 50 20 CBGD Cc1cc(C)nc(NNC(=O)CN2CCOCC2)n1 779160067 CMOBMEMPKMJYMT-UHFFFAOYSA-N 265.317 -0.131 50 20 CBGD COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NNC(=O)CO)c1 788591885 WWLIGEPIBUZZIC-KOLCDFICSA-N 294.307 -0.053 50 20 CBGD CCC(=O)NNS(=O)(=O)c1cncc(OC)c1 799120518 OWQSUUPSWCINAU-UHFFFAOYSA-N 259.287 -0.190 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1occ2c1CCOC2 803159314 JCHJIWOBNWDFCO-UHFFFAOYSA-N 268.269 -0.116 50 20 CBGD CCNC(=O)NNC(=O)COCc1cccnc1 805172115 VAKZEQRYWCIFRT-UHFFFAOYSA-N 252.274 -0.052 50 20 CBGD Cc1ccc(NNC(=O)NCCn2cnc(C#N)n2)nn1 805823749 JRINMFQCLVVSTD-UHFFFAOYSA-N 287.287 -0.426 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)CCn1ccnn1 807370991 ADNCDTHEAFVEHY-UHFFFAOYSA-N 299.331 -0.395 50 20 CBGD CO[C@H]1CCC[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)C1 814407697 KEHCAFYDPGZOBW-MNOVXSKESA-N 297.355 -0.039 50 20 CBGD O=C(Cc1cc[nH]n1)NN=C1CCS(=O)CC1 814956296 QUCSGCHCVRKASJ-UHFFFAOYSA-N 254.315 -0.033 50 20 CBGD COc1nccnc1NNC(=O)C[C@@H]1CCC(=O)N1 816970572 CVHLZOIVIXYBBM-ZETCQYMHSA-N 265.273 -0.403 50 20 CBGD CCC1(CC)C(=O)NCCC1=NNC(=O)C(N)=O 819801280 GVJPZJQXDHNCET-UHFFFAOYSA-N 254.290 -0.730 50 20 CBGD CCN(CCO)NC(=O)CNC(=O)c1cccs1 823834119 SCSAUSASPXPIHG-UHFFFAOYSA-N 271.342 -0.177 50 20 CBGD CCN(CCO)NC(=O)CCOC[C@H]1CCCO1 823847323 VMXURRAVJHDIPI-LLVKDONJSA-N 260.334 -0.083 50 20 CBGD C[C@H](CC(=O)O)C(=O)NNC(=O)N1CCOCC1 827303260 CKDQIAZVYTZSGG-SSDOTTSWSA-N 259.262 -0.830 50 20 CBGD O=C(COCc1ccccc1)NNC(=O)[C@@H]1CC(=O)N1 828318916 FLLDPDZQAMUDCS-JTQLQIEISA-N 277.280 -0.761 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCCNC(=O)O)n[nH]1 829957116 WTUOSRHVGUODSV-UHFFFAOYSA-N 269.261 -0.473 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=S)NCC1CCC1 855093388 PFRLRDYZUJWAIU-SECBINFHSA-N 275.374 -0.057 50 20 CBGD Cn1cc([C@H](O)C(=O)NNc2cc(Cl)nc(N)n2)cn1 857486793 SELKGGQTIXCLGR-QMMMGPOBSA-N 297.706 -0.378 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC3(CCC3)C2)N1 858697830 VVIAMUPQLDRWTN-SECBINFHSA-N 280.328 -0.118 50 20 CBGD CCc1cc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)nn1C 861181913 GEVSGHDDGBOVGK-MRVPVSSYSA-N 294.315 -0.586 50 20 CBGD CCCCO[C@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862454204 RKFSOWZTHJCDNV-RKDXNWHRSA-N 271.317 -0.382 50 20 CBGD COc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccc1O 862462760 ZZRMFEGLRARQMK-QMMMGPOBSA-N 293.279 -0.560 50 20 CBGD COC(=O)N1CCC(=NNC(=O)[C@@H]2CCC(=O)N2)CC1 863144667 COAUGADUGAHQIK-VIFPVBQESA-N 282.300 -0.401 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C[C@@H]1C=CCC1 863458940 ITUVKBJWRGIFSA-MRVPVSSYSA-N 260.315 -0.465 50 20 CBGD CN([C@]1(CO)CCOC1)S(=O)(=O)CBr 867338513 INDWXZKELNEYCE-ZETCQYMHSA-N 288.163 -0.248 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1CC12CCC2 876428169 ULVGHGJSUHQPJF-MRVPVSSYSA-N 266.301 -0.462 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1)[C@@H](O)C(F)(F)F 877693966 WFTRJRSGFZQHGI-OIBJUYFYSA-N 277.051 -0.232 50 20 CBGD C#CCCCC(=O)NNC(=O)COCCCOC 887146602 DQXVLGUXTGMTSN-UHFFFAOYSA-N 256.302 -0.010 50 20 CBGD Cc1nc([C@@H](C)NCc2ccccc2B(O)O)n[nH]1 894777793 MBTPWCYYHFHOSU-MRVPVSSYSA-N 260.106 -0.356 50 20 CBGD C=CCOC[C@H](NCc1ccccc1B(O)O)C(=O)O 901808949 ABVHZUXQZREINJ-LBPRGKRZSA-N 279.101 -0.888 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 906889824 VLCHXCNTLIXGAY-ZWKOPEQDSA-N 273.292 -0.003 50 20 CBGD O=C(CNC(=O)N1CCCC1)NNc1ccncn1 908550780 JAVNIPGXBYLPGJ-UHFFFAOYSA-N 264.289 -0.275 50 20 CBGD CCN1CCN(CCC(=O)NN(C)C[C@@H](C)O)CC1 910162272 FJJICSCHMXIUGP-GFCCVEGCSA-N 272.393 -0.642 50 20 CBGD CO[C@@H](C)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 917623043 ZVRLMGSITXTDSX-IUCAKERBSA-N 264.347 -0.486 50 20 CBGD Cc1n[nH]c(C)c1[C@@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1118884758 PSBIQQZLVHUYLA-HZGVNTEJSA-N 293.327 -0.444 50 20 CBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)cn1)NC1CC1 1142319534 UFHJWLMMUCDUFU-UHFFFAOYSA-N 288.271 -0.632 50 20 CBGD O=C(NNC(=O)c1noc2c1COCC2)c1cn[nH]c1 1261782385 GLUMDFDJRJKGEL-UHFFFAOYSA-N 277.240 -0.455 50 20 CBGD Cc1c(CC(=O)NNC(=O)C(=O)N2CCCC2)cnn1C 1326233748 DMNLXZKFSOYFAK-UHFFFAOYSA-N 293.327 -0.959 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1328101741 SJOLMJASTNRCKZ-SNVBAGLBSA-N 296.327 -0.289 50 20 CBGD Cc1cnccc1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1329754886 OIUXWENVHLWRRC-SNVBAGLBSA-N 291.311 -0.501 50 20 CBGD C#CCOCCNC(=O)NNC(=O)c1cnn(C)c1 1337652560 CRUYLHNCQUOHTN-UHFFFAOYSA-N 265.273 -0.986 50 20 CBGD COCCN(C)NC(=O)c1cnn2c1NCCC2 1346972442 JYJLNFZBJHYYAD-UHFFFAOYSA-N 253.306 -0.078 50 20 CBGD C[C@H](O)CN(C)NC(=O)CCCS(C)(=O)=O 1350777620 ACDHJDLPVIEMTG-QMMMGPOBSA-N 252.336 -0.845 50 20 CBGD Cn1cc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c(O)n1 1549320731 NNOPKOFACODNJY-WDEREUQCSA-N 293.327 -0.561 50 20 CBGD O=C(/C=C\[C@@H]1CCOC1)NNC(=O)NC1CCNCC1 1580493921 NOLSRJVEOZYDSL-JWXWKVPASA-N 282.344 -0.339 50 20 CBGD CS(=O)(=O)SCCNC(=O)c1cc(C(=O)O)no1 1599762329 LSEHFXCRBROBEZ-UHFFFAOYSA-N 294.310 -0.205 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc(F)c(-c2nn[nH]n2)c1 1604671620 ZJISWOUZPQXDMA-UHFFFAOYSA-N 293.262 -0.078 50 20 CBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)c1cccnc1 1604878950 YGUFJKQXADWJTJ-MRVPVSSYSA-N 251.242 -0.047 50 20 CBGD O=C(O)Cn1cc(C(=O)NNc2cccc(F)n2)nn1 1606331247 RLUMLJJBKDSWNL-UHFFFAOYSA-N 280.219 -0.346 50 20 CBGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)C(=O)O)C12CCC2 1610030527 MEKDIMVYEMARHQ-JGVFFNPUSA-N 285.300 -0.251 50 20 CBGD O=C(Cc1ccccn1)NNC(=O)c1cc(C(=O)O)no1 1610675989 WTRBBLJCNYJWBN-UHFFFAOYSA-N 290.235 -0.229 50 20 CBGD COc1ccc(C(=O)NCC(=O)NNC(C)=O)cc1OC 23199250 WMOOICCDHISEQN-UHFFFAOYSA-N 295.295 -0.399 50 20 CBGD COc1ccnc(NNC(=O)C2=NN(C)C(=O)CC2)n1 46364488 PTJJEKZXEUZFLI-UHFFFAOYSA-N 278.272 -0.464 50 20 CBGD Cn1cc(S(=O)(=O)NNC(=O)c2ccccn2)cn1 47992197 WDHUNXUTHWLXDN-UHFFFAOYSA-N 281.297 -0.562 50 20 CBGD CC(=O)NNC(=O)C(=O)N1CCc2c(F)cccc21 185961170 DFTANUMQOPPBOR-UHFFFAOYSA-N 265.244 -0.118 50 20 CBGD CN(C)C(=O)NNC(=O)CNC(=O)c1ccc(F)cc1 274153079 LFEBMJRAMWENOO-UHFFFAOYSA-N 282.275 -0.142 50 20 CBGD Cc1nn(C)c(C)c1OCC(=O)NNC(=O)[C@@H]1CCCO1 292268804 ZISIGXWAMNGBLQ-JTQLQIEISA-N 296.327 -0.258 50 20 CBGD CN(NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)C(N)=O 367852300 BUOVVHFCDJVHAM-SNVBAGLBSA-N 297.359 -0.044 50 20 CBGD CON(C)C(=O)CNS(=O)(=O)CCCCl 397525832 RFRVOKZGEQTTOK-UHFFFAOYSA-N 258.727 -0.446 50 20 CBGD C[C@H](NC(=O)c1cccc(B(O)O)c1)[C@@H]1CCOC1 584950381 JQVBTXMHVCXWTE-GXSJLCMTSA-N 263.102 -0.479 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC(O)(C2CC2)C1 584978307 YDYSZMADAXWLDE-UHFFFAOYSA-N 279.076 -0.898 50 20 CBGD C[C@@H]1CSC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584988765 UBFMTECGMVJBAB-RDDDGLTNSA-N 283.133 -0.013 50 20 CBGD CC[C@@H](CO)N(C)C(=O)c1ccc(B(O)O)cc1 584994352 HGZYNIRXOSOCOE-NSHDSACASA-N 251.091 -0.791 50 20 CBGD OB(O)c1ccccc1CN[C@H]1CCO[C@]2(CCOC2)C1 585035771 XYECCRXLHPYGHC-DZGCQCFKSA-N 291.156 -0.206 50 20 CBGD COc1ccc(CNCc2ccc(B(O)O)o2)c(OC)n1 585041715 TYWGPNAPVZYGIF-UHFFFAOYSA-N 292.100 -0.339 50 20 CBGD C[C@H](COCC1CC1)NCc1ccc(B(O)O)o1 585045400 HJRMSOSBYSEDTB-SECBINFHSA-N 253.107 -0.136 50 20 CBGD O=C1CCC[C@@H](c2nc(-c3cccc(B(O)O)c3)no2)N1 585052547 QCECSOOAXJKWOS-JTQLQIEISA-N 287.084 -0.242 50 20 CBGD O=C1CC(C(=O)NNC(=O)Cc2ccc(F)cc2)=NN1 731865316 NPLONBSAWGSEAS-UHFFFAOYSA-N 278.243 -0.609 50 20 CBGD C[C@H](OC[C@H]1CCCO1)C(=O)NNC(=O)CN(C)C 733361161 RTVQAKOLZSHGIZ-VHSXEESVSA-N 273.333 -0.721 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)Sc1nnc(C)n1N 735414460 XUVMWWKYMORUDZ-YFKPBYRVSA-N 272.334 -0.662 50 20 CBGD CN(CC(=O)NN)C1=NS(=O)(=O)c2ccccc21 743790385 DAADDMDGAOJRGE-UHFFFAOYSA-N 268.298 -0.943 50 20 CBGD COC[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CCO1 744405479 SQUPTADETOCJJN-JTQLQIEISA-N 287.360 -0.473 50 20 CBGD CCNC(=O)NN=C1CCN(S(C)(=O)=O)CC1 747631082 YYEJQTSTZQKWDA-UHFFFAOYSA-N 262.335 -0.283 50 20 CBGD CC(=NNC(=O)C(N)=O)c1cc([N+](=O)[O-])ccc1O 758094564 QZWLXCCZQZKPDV-UHFFFAOYSA-N 266.213 -0.374 50 20 CBGD CCCNC(=O)NNC(=O)[C@H](O)c1cccnc1 764898826 YFIDZUVSOLQYSN-SECBINFHSA-N 252.274 -0.145 50 20 CBGD COC(=O)CNC(=O)NN=C(C)c1ccnn1C 766028672 FOOFMTLVVPIOTE-UHFFFAOYSA-N 253.262 -0.384 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)c1ccccn1 767165005 XPAPNVBAULRSHL-LLVKDONJSA-N 278.312 -0.437 50 20 CBGD CCNC(=O)N(C)NC(=O)C1=NN(C)C(=O)CC1 770548541 GYUJVNJXWKBLQK-UHFFFAOYSA-N 255.278 -0.713 50 20 CBGD CCC[C@@](C)(O)C(=O)NNC(=O)c1cnn(C)c1 770990740 RGBVJNQYPUQDTB-LLVKDONJSA-N 254.290 -0.268 50 20 CBGD O=C(CN[C@@H](CCO)C1CC1)NNC(=O)C1CC1 771805534 VLKMORVBKQKWOQ-JTQLQIEISA-N 255.318 -0.706 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1c(C)nn(C)c1C 775276553 XGSMWKIJJWXPPS-UHFFFAOYSA-N 275.334 -0.451 50 20 CBGD O=C(CCCN1C(=O)CCC1=O)NN=c1cc[nH]cc1 780757972 LGFWMRUEIBGVST-UHFFFAOYSA-N 276.296 -0.124 50 20 CBGD COc1ccc(CC(=O)NNC(=O)N2CCOCC2)nc1 789914978 KSPSZSZWUWORQO-UHFFFAOYSA-N 294.311 -0.294 50 20 CBGD CC(C)(C)C(=O)NNC(=O)N1CC[C@@H](S(N)(=O)=O)C1 799925147 NMVSIYTYPRMNOA-SSDOTTSWSA-N 292.361 -0.864 50 20 CBGD Cn1nnnc1CNC(=O)[C@@]1(C)C[C@@H]1Br 820102885 IFNFSHHMQOQVHI-XNCJUZBTSA-N 274.122 0.000 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)s1 821578230 UEPVSLBBMDGKIA-UHFFFAOYSA-N 281.301 -0.156 50 20 CBGD COC(=O)NNS(=O)(=O)c1csnc1C(=O)O 831206965 QVYIEZNJVSNRFS-UHFFFAOYSA-N 281.271 -0.609 50 20 CBGD COCCNCCNC(=O)NNc1cncc(Cl)n1 841967970 JIWDNMJUNMIBQR-UHFFFAOYSA-N 288.739 -0.008 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCN(C)C1 843970919 MWXZJEJIPLAEIA-LPEHRKFASA-N 255.318 -0.490 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)on1 843980817 WWYXJCFOVWMDHL-RQJHMYQMSA-N 297.267 -0.353 50 20 CBGD Cc1nonc1CC(=O)NNC(=O)NCC(F)(F)F 846065699 WNLQOKXBFQANQR-UHFFFAOYSA-N 281.194 -0.187 50 20 CBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)c1ccncc1 847281076 RVALGLUCUOTDBM-DTWKUNHWSA-N 262.269 -0.646 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H](C)N1CCN(C)CC1 854923727 GWJWNPFBBZUHCO-SECBINFHSA-N 273.406 -0.910 50 20 CBGD CCN1CCC[C@H]1CNC(=O)NNC(=O)c1cn[nH]c1 858120722 KPCCVPLWWIYAGV-JTQLQIEISA-N 280.332 -0.162 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CC23CCC3)N1 862456911 WHBMOZDUAJXUQJ-YUMQZZPRSA-N 251.286 -0.397 50 20 CBGD O=C1NCC[C@H]1C(=O)NNCC(F)(F)C(F)(F)F 863101739 FTWQSOBACAPGMQ-SCSAIBSYSA-N 275.177 -0.059 50 20 CBGD CCO/C=C(/C#N)C(=O)NCCN1CC[C@@H](O)C1 863321234 NDWOHDZMYNMUOY-DWOQACPDSA-N 253.302 -0.387 50 20 CBGD CC(=O)c1cccc(C(=O)NNC(=O)CS(C)(=O)=O)c1 863462402 OPMMGVMUFCWHGD-UHFFFAOYSA-N 298.320 -0.305 50 20 CBGD O=C(NC[C@H]1CSCCS1)c1ccc(B(O)O)cc1 863876982 OKDFUTOGUOZEEJ-NSHDSACASA-N 297.210 -0.055 50 20 CBGD CC[C@](C)(CC(=O)OC)NC(=O)c1cccc(B(O)O)c1 863877481 YLYWGNZISBBIQB-CQSZACIVSA-N 293.128 -0.172 50 20 CBGD C[C@H](NC(=O)c1cccc(B(O)O)c1)[C@H](O)C(F)(F)F 863886117 UQEVIPXRKDGUEC-RCOVLWMOSA-N 291.034 -0.592 50 20 CBGD CCn1nnc(C)c1C=NNC(=O)COCCOC 872399465 CUBMXCAZXSHUOJ-UHFFFAOYSA-N 269.305 -0.280 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H](CC)NC(C)=O 887153095 ICPHKPKKUHPVFO-JTQLQIEISA-N 253.302 -0.148 50 20 CBGD COC(=O)N(C)CCCC(=O)NN(C)C[C@H](C)O 910166062 ROWRTYYFSLZUFU-VIFPVBQESA-N 261.322 -0.191 50 20 CBGD C#CCCCC(=O)NNC(=O)CN1CCCC1=O 913733105 VTDIKDVVVKYLHU-UHFFFAOYSA-N 251.286 -0.440 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 913733743 ULGBJRPVWNOVRW-IVZWLZJFSA-N 293.323 -0.629 50 20 CBGD CN1CC(=O)N(CC(=O)NNC(=O)C2CCCC2)C1=O 914843576 NFLGYNPSHUATFF-UHFFFAOYSA-N 282.300 -0.782 50 20 CBGD CC/C=C(/C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 914879115 LGRZWKNWTCQZCQ-OTOXVQDCSA-N 274.342 -0.075 50 20 CBGD CCN1C[C@@H](C(=O)NNC(=O)CC(F)(F)F)CC1=O 920458490 VPXROASROYDSLL-LURJTMIESA-N 281.234 -0.045 50 20 CBGD CC(C)C1(C(=O)NNC(=O)C(=O)NC2CC2)COC1 929449367 QTOJIIPZNPKXHK-UHFFFAOYSA-N 269.301 -0.915 50 20 CBGD Cc1n[nH]c(C)c1CCC(=O)NNC(=O)C(=O)NC(C)C 1248442321 UIPUJJYLAPOWGE-UHFFFAOYSA-N 295.343 -0.369 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@]1(F)CCOC1 1261217313 GZDHVAKRUAYGNL-GFCCVEGCSA-N 289.307 -0.433 50 20 CBGD COC(=O)NNC(=O)c1ccc(CNS(C)(=O)=O)o1 1320546050 JOYWEZZGCZRLLU-UHFFFAOYSA-N 291.285 -0.670 50 20 CBGD CN(C)C(=O)NNC(=O)CC[C@@]1(C)CCC(=O)N1 1321080922 SLDYEDXVAHUMJU-LLVKDONJSA-N 256.306 -0.262 50 20 CBGD CC[C@@H](NC(=O)NNC(=O)C(=O)OC)[C@@H]1CCCO1 1323019547 JVIDYCYMHYXIFD-SFYZADRCSA-N 273.289 -0.553 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 1328741737 WLNSLBMFDULXOE-SFYZADRCSA-N 256.306 -0.360 50 20 CBGD C[C@@H](C(=O)NNC(=O)Cc1ccncc1)[C@@H]1CCC(=O)N1 1331666854 RRBCVVYYBZNEQD-KOLCDFICSA-N 290.323 -0.314 50 20 CBGD Cn1nncc1C(=O)NNC(=S)NC(C)(C)C 1333985600 TYGYDPSFGUMQOQ-UHFFFAOYSA-N 256.335 -0.278 50 20 CBGD O=C(CCC(=O)N1CCC(O)CC1)NN=c1cc[nH]cc1 1337482190 GKFBCEXQRFYTQR-UHFFFAOYSA-N 292.339 -0.290 50 20 CBGD CCO[C@H]1CCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1341976254 VQLONQRXYKAXPE-VIFPVBQESA-N 267.289 -0.125 50 20 CBGD C[S@](=O)CCCNC(=O)NNC(=O)[C@H]1CCCCO1 1344399510 NRQBQIZDMMFIDR-HOGDKLEQSA-N 291.373 -0.346 50 20 CBGD CC1(C)CCCN[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 1576439336 BNXREUIGJGARRT-GFCCVEGCSA-N 296.371 -0.466 50 20 CBGD CCCC[C@@H](O)CCC(=O)NNC(=O)[C@H]1CCN1 1577418824 FDHWHMFLDOYEQJ-NXEZZACHSA-N 257.334 -0.173 50 20 CBGD NCc1ncc(C(=O)NNC(=O)NCC2CC2)cn1 1580355222 WOMIBEYCBYMJGP-UHFFFAOYSA-N 264.289 -0.711 50 20 CBGD COCCN(C)NC(=O)c1cccc(-c2nn[nH]n2)n1 1591420660 MEFWXLUYQGGBJK-UHFFFAOYSA-N 277.288 -0.515 50 20 CBGD O=C1C[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)N1 1593381634 LWNXJNGZGSHWLG-MRVPVSSYSA-N 273.256 -0.802 50 20 CBGD O=C(O)C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1594927813 KCRFOUKPUSADGQ-UHFFFAOYSA-N 277.085 -0.697 50 20 CBGD CCCNC(=O)NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1595925746 INYOAHGAEMVPTG-RQJHMYQMSA-N 259.262 -0.641 50 20 CBGD CCO/C=C(\C#N)C(=O)N(CC(=O)O)CC(=O)OC 1596865079 ZYRZFFHBCJFMIW-BQYQJAHWSA-N 270.241 -0.483 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H]2CC[C@@H](C(=O)O)O2)O1 1599907001 YRZRWDXKSNDSDK-MAUMQABQSA-N 286.284 -0.667 50 20 CBGD Cc1nnc(NNC(=O)C23CC(C(=O)O)(C2)C3)nc1O 1600798498 LENGUBYNSIRDTL-UHFFFAOYSA-N 279.256 -0.416 50 20 CBGD COC(=O)N(C)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1 1606488062 PUQGXWRIBIQNSF-FSDSQADBSA-N 260.246 -0.406 50 20 CBGD COc1ccnc(NNC(=O)c2ccc(=O)[nH]c2)n1 46363332 SWRRIHVFAGRZKV-UHFFFAOYSA-N 261.241 -0.070 50 20 CBGD CCNC(=O)NNC(=O)CN1C(=O)c2ccccc2C1=O 65191494 IXCSSJPTGQDRCC-UHFFFAOYSA-N 290.279 -0.367 50 20 CBGD O=C(CN1CCC(CO)CC1)NNC(=O)C1CCC1 109830620 BGVKBDNKKOUKFV-UHFFFAOYSA-N 269.345 -0.362 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCO[C@H](C#N)C1 111229774 IEWJQWCCCUEORI-WDEREUQCSA-N 282.344 -0.207 50 20 CBGD CCCOCC(=O)NNC(=O)C(=O)NC(CC)CC 265843716 BKUVRCVDNBOZSF-UHFFFAOYSA-N 273.333 -0.135 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2CCCN2C(N)=O)n1 267129601 OZLIHIFQMORRIU-QMMMGPOBSA-N 294.315 -0.220 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCCC(=O)N(C)C)[nH]n1 270654460 MNTMCLAFWDNFMP-UHFFFAOYSA-N 281.316 -0.262 50 20 CBGD Cc1cc(C(=O)NNC(=O)CSCC#N)[nH]n1 270684021 QLDZPRKAOJBYOW-UHFFFAOYSA-N 253.287 -0.264 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc2c(c1)OCC(=O)N2 276231994 JWPWYEXBVIXWST-UHFFFAOYSA-N 293.279 -0.451 50 20 CBGD COC(=O)NNC(=O)CNS(=O)(=O)c1cccs1 289552397 OVHIWLYQFVIKBQ-UHFFFAOYSA-N 293.326 -0.586 50 20 CBGD COC(=O)NNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 490636746 VTIDIKFEKIIFQD-IUCAKERBSA-N 297.311 -0.061 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)NCCN2CCOCC2)cn1 490937895 DOJJVPRTNDGDKH-JYRVWZFOSA-N 289.339 -0.225 50 20 CBGD COC(=O)NCCC(=O)NNc1cc(C)ncn1 491551244 ZTEGHDCPAISESC-UHFFFAOYSA-N 253.262 -0.026 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(C(=O)OC)CC1 493733744 QXAHADCHAPPKIW-SECBINFHSA-N 286.332 -0.684 50 20 CBGD COC(=O)CC1(CS(=O)(=O)NN(C)C(=O)OC)CC1 497110395 UMWUIZIEXKSPQG-UHFFFAOYSA-N 294.329 -0.138 50 20 CBGD C[C@H]1CN(C)CC[C@@H]1NC(=O)c1cc(B(O)O)ccc1F 584937101 LGGJFORQUZREBE-ZANVPECISA-N 294.135 -0.425 50 20 CBGD O=C(N[C@H]1CCc2c[nH]nc2C1)c1cccc(B(O)O)c1 584957593 GMWUHEOWFJWXEH-LBPRGKRZSA-N 285.112 -0.623 50 20 CBGD COC[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@@H](C)O1 584979515 WCYVLDNIFWBVCB-ZWNOBZJWSA-N 293.128 -0.758 50 20 CBGD CCn1nccc1CN(C)C(=O)c1ccc(B(O)O)cc1 584982059 KYXPDMOKRSSCMI-UHFFFAOYSA-N 287.128 -0.145 50 20 CBGD CC[C@@H]1CN(C)CCN1C(=O)c1ccc(B(O)O)cc1 584994055 CSAOQDOZVRKERP-CYBMUJFWSA-N 276.145 -0.467 50 20 CBGD COCC1(CNC(=O)c2ccc(B(O)O)c(F)c2)CC1 585004517 GVACBNQNJPRKQQ-UHFFFAOYSA-N 281.092 -0.338 50 20 CBGD CC(C)(C)NC(=O)CNCc1ccc(B(O)O)cc1F 585017449 BEHJOSVLMIFYRU-UHFFFAOYSA-N 282.124 -0.490 50 20 CBGD COCCOCCCCNCc1cccc(B(O)O)c1 585020880 LGDBFLCBOFWKJF-UHFFFAOYSA-N 281.161 -0.101 50 20 CBGD C=CCN1CCC(NCc2ccc(B(O)O)o2)CC1 585021912 PXWBPTAARIKLIK-UHFFFAOYSA-N 264.134 -0.301 50 20 CBGD C[C@H](NCc1ccc(B(O)O)o1)C(=O)NC1CCCC1 585022393 YKZUILJECPCPCK-VIFPVBQESA-N 280.133 -0.504 50 20 CBGD CC(C)(CNCc1ccc(B(O)O)cc1)S(C)(=O)=O 585026952 UYNXUCLBOCFZLA-UHFFFAOYSA-N 285.174 -0.721 50 20 CBGD CS[C@@H](CO)[C@@H](C)NCc1ccccc1B(O)O 585027601 CAFJWHWHNGZQGJ-SKDRFNHKSA-N 269.175 -0.432 50 20 CBGD C[C@H]1CN(C2CC2)C[C@@H]1NCc1ccccc1B(O)O 585028701 ONFCLWGTCHUVHK-NHYWBVRUSA-N 274.173 -0.061 50 20 CBGD Cn1cc([C@H](CO)NCc2ccc(B(O)O)cc2F)cn1 585031983 MZDYAHVKZYOCRM-ZDUSSCGKSA-N 293.107 -0.938 50 20 CBGD CC[C@H](C)NC(=O)[C@@H](C)NCc1ccc(B(O)O)cc1 585032293 FDTLSKLAXUSDRN-WDEREUQCSA-N 278.161 -0.241 50 20 CBGD CCO[C@H](CCN(C)C)CNCc1cccc(B(O)O)c1 585033743 JOYLDMNABZDQMQ-OAHLLOKOSA-N 294.204 -0.187 50 20 CBGD OB(O)c1ccc(-c2noc([C@@H]3COCCO3)n2)cc1 585050808 LNJVUDMZQCWWKV-JTQLQIEISA-N 276.057 -0.496 50 20 CBGD CCC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H](B(O)O)C1 585071869 CFYCQQOEVSANPX-GHMZBOCLSA-N 282.149 -0.147 50 20 CBGD CCNS(=O)(=O)CCNC(=O)NNC(=O)CC(C)C 731685425 FQIXIAUXNDLHQW-UHFFFAOYSA-N 294.377 -0.698 50 20 CBGD Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)CN(C)C 733359578 RYUUTBFSOONVNO-MRVPVSSYSA-N 281.360 -0.151 50 20 CBGD O=C(CCN1CCCS1(=O)=O)NNc1cccnn1 736697754 LVVINYAZNJJJRG-UHFFFAOYSA-N 285.329 -0.655 50 20 CBGD CN(CC(=O)NNC(=O)c1cccc(C#N)c1)C(=O)O 737392893 DOCYBLZUCXPADG-UHFFFAOYSA-N 276.252 -0.071 50 20 CBGD CCNC(=O)NNC(=O)CSc1n[nH]c(C)n1 746166918 KVIGNYCFZWUNHQ-UHFFFAOYSA-N 258.307 -0.444 50 20 CBGD O=C(CO)NNC(=O)c1ncccc1OCC(F)(F)F 753442727 ORWBMCXOFCBUNR-UHFFFAOYSA-N 293.201 -0.224 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](C)C(C)(C)C 758040180 OJRTXGVGKINLRV-YUMQZZPRSA-N 293.389 -0.246 50 20 CBGD CSCCNC(=S)NNC(=O)C1(NC(N)=O)CC1 769767670 RFTDIJICATWOJN-UHFFFAOYSA-N 291.402 -0.954 50 20 CBGD CO[C@@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)C(C)C 771408086 PIDXXRSKAZUEND-SNVBAGLBSA-N 294.311 -0.162 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(OC)no1 772339970 SFXUHBSVASWXOM-LURJTMIESA-N 285.256 -0.214 50 20 CBGD CC(C)C(=O)NNC(=O)CSc1nnnn1C 773186577 IYVMVYWSKYFMJN-UHFFFAOYSA-N 258.307 -0.894 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C2(O)CCOCC2)o1 773274817 XKHGXQHXYILQFU-UHFFFAOYSA-N 268.269 -0.109 50 20 CBGD CCN(C)C(=O)CNC(=O)NNC(=O)C1CCCC1 776257208 CQEQCXRUBCKSNI-UHFFFAOYSA-N 270.333 -0.015 50 20 CBGD CO[C@H](C(=O)NNC(=O)N(C)C)c1cnn(C)c1 798937117 JZMKNEXQBKVEHF-QMMMGPOBSA-N 255.278 -0.590 50 20 CBGD CCN([C@H](C)C(=O)NNC(=O)CC(C)C)[C@@H]1CCNC1=O 799353151 BTUKIDJEIXPWEP-GHMZBOCLSA-N 298.387 -0.221 50 20 CBGD C=C[C@@H](O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 816814344 OGUXINKCCJEODZ-LDYMZIIASA-N 278.264 -0.479 50 20 CBGD CN(CC(=O)NNC(=O)CC1CC1)C(=O)C1CC1 819122925 MFZYXWOAOYSULJ-UHFFFAOYSA-N 253.302 -0.198 50 20 CBGD COCCO[C@@H](C)C(=O)NN=C1CCN(CCO)CC1 819808415 NNZVVMKEDMAIMG-NSHDSACASA-N 287.360 -0.402 50 20 CBGD CN1C(=O)CC[C@@H](NC(=O)NNc2ncncc2F)C1=O 823905774 LITFRKGYAHDUBP-SSDOTTSWSA-N 296.262 -0.611 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccc2c(c1)nnn2C 823959151 BXQXMVNRXHDTDC-QMMMGPOBSA-N 263.301 -0.074 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCN1CCOCC1 843976650 YMYDYINTVSDBCA-QWRGUYRKSA-N 285.344 -0.719 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H](CO)CCF 846718572 PYGDUODRZTZBPB-YIZRAAEISA-N 277.296 -0.538 50 20 CBGD CCNC(=O)NNS(=O)(=O)N1CCC(OC)CC1 849307509 WRGPZGWAJHKBMR-UHFFFAOYSA-N 280.350 -0.834 50 20 CBGD Cc1ccncc1CC(=O)NNC(=O)N1CCN(C)CC1 854381959 WJKWXYCNXIPBBJ-UHFFFAOYSA-N 291.355 -0.079 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)[C@@]2(O)CCOC2)n1 857486119 HDQLYWSAKMBFQG-SECBINFHSA-N 273.680 -0.693 50 20 CBGD CSCC[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858233780 UYTLCZRHEBZSAF-SFYZADRCSA-N 288.373 -0.263 50 20 CBGD COC[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)[C@@H]1CCCO1 858406810 WIFCBKLSMNAQFV-ZJUUUORDSA-N 297.315 -0.452 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)nn1C(C)C 862462870 ZOHXCLDWFAOXHV-VIFPVBQESA-N 293.327 -0.188 50 20 CBGD CS(=O)(=O)CC(=O)NN=C1COc2cc(O)ccc21 863187968 KENPDMICSJLLSN-UHFFFAOYSA-N 284.293 -0.351 50 20 CBGD CCO[C@@H](C(=O)NNc1ccc(C(N)=O)nn1)C1CC1 863894747 BLSNQHLGJOJYKX-SNVBAGLBSA-N 279.300 -0.166 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccc(OC)nc1 869913116 VHJFYPUQHQDQOZ-UHFFFAOYSA-N 283.284 -0.486 50 20 CBGD CCN(CCO)CCNS(=O)(=O)CCCCl 882077454 AUAGTKBXKSZPAG-UHFFFAOYSA-N 272.798 -0.151 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)CSCC(N)=O 899995106 HMHBXIAOODTHBQ-UHFFFAOYSA-N 278.403 -0.501 50 20 CBGD COc1cccc(C(=O)NNC(=O)c2cnn[nH]2)c1O 919756435 HWGLTYHOMMQAEN-UHFFFAOYSA-N 277.240 -0.406 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H]1CCN(C)C(=O)C1 921039254 LRNXGSVRXXMAOC-MRVPVSSYSA-N 256.306 -0.405 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 930584246 IUZQLSHPYWSBSY-SDBXPKJASA-N 274.280 -0.143 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)CN1CCSC1=O 1116560764 WGYJMOKUGFVDIJ-UHFFFAOYSA-N 283.313 -0.732 50 20 CBGD Cn1ncc(NC(=O)NNC(=O)CCO)c1C(F)(F)F 1116696637 ZVYLDYPCWQABMS-UHFFFAOYSA-N 295.221 -0.026 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCC(=O)N1CCCC1 1261450829 JNHQHYUTJXIYLK-NXEZZACHSA-N 298.343 -0.636 50 20 CBGD O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H](B(O)O)C1 1261843396 FFJYFEHWPUQEFC-YFKPBYRVSA-N 254.011 -0.993 50 20 CBGD Cc1cc(NNC(=O)CN2CCC(=O)NC2=O)ncn1 1318528537 ISHROXCOAOJOSS-UHFFFAOYSA-N 278.272 -0.830 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1c[nH]nc1C 1320284407 BBKNJTQFVZVTDW-SECBINFHSA-N 299.331 -0.400 50 20 CBGD Cn1nnc2c(C(=O)NNc3ncccn3)ccnc21 1321739340 QWIPCQSIDHQSSH-UHFFFAOYSA-N 270.256 -0.090 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)SCCN1CCOCC1 1323115442 SAXHUMHXVSOTOO-SNVBAGLBSA-N 289.401 -0.002 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CCCS1(=O)=O 1328341174 SZCLBGLKXZWDNZ-LURJTMIESA-N 265.360 -0.969 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1ncc[nH]1 1329340127 VGICNVSFMGFSMI-SFYZADRCSA-N 252.274 -0.475 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)C2CCOCC2)C1=O 1333148386 BBMMRHPTICNHCO-VIFPVBQESA-N 269.301 -0.961 50 20 CBGD O=C(C[C@H]1CCOC1)NNC(=O)CN1CCCC1=O 1334261205 VDRZENDQAAJZJZ-SECBINFHSA-N 269.301 -0.817 50 20 CBGD CC(C)CC(=O)NNC(=O)NNC(=O)c1cn[nH]c1 1334930890 OYQJFQYGRKZREZ-UHFFFAOYSA-N 268.277 -0.569 50 20 CBGD Cc1nn(C)c(N2CCOCC2)c1C=NNC(=O)CCO 1335769031 UJELRWRRQBOYIP-UHFFFAOYSA-N 295.343 -0.602 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccn(C)n1 1349103396 MVXBGOHHJRXCJQ-CBAPKCEASA-N 294.315 -0.910 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC2(CCNC2=O)CC1 1349699772 MNTGWZYIMRCTHD-JTQLQIEISA-N 296.371 -0.466 50 20 CBGD COc1cccnc1C(=O)NNC(=O)NC1CCNCC1 1579315307 CHJQFVLLGOVIRP-UHFFFAOYSA-N 293.327 -0.214 50 20 CBGD O=C(O)COCC(=O)NN=c1cc[nH]cc1Cl 1595107414 XAAIDLZVJDJDIU-UHFFFAOYSA-N 259.649 -0.299 50 20 CBGD Cc1ccc(NCC(=O)NNC(=O)COCC(=O)O)cc1 1605296625 OHJQMDQOCYPZRO-UHFFFAOYSA-N 295.295 -0.344 50 20 CBGD N#CCNC(=O)CNC(=O)NNc1cccc(C(=O)O)c1 1608187759 DRZXRHKEAXYSQT-UHFFFAOYSA-N 291.267 -0.349 50 20 CBGD Cc1nn(CCC(=O)O)c(C)c1C=NNC(=O)CO 1610570711 YJQSMEPNLCUGHV-UHFFFAOYSA-N 268.273 -0.583 50 20 CBGD CCCNC(=O)NNC(=S)NCC(=O)N(C)C 146011489 LNKUYMROEXFBOU-UHFFFAOYSA-N 261.351 -0.837 50 20 CBGD CCn1c(=O)n(CC(=O)NN(C)C(N)=O)c2ccccc21 181091038 DETOCPJOAALCOO-UHFFFAOYSA-N 291.311 -0.135 50 20 CBGD O=C(NNC(=O)[C@@H]1COc2ccccc21)C(=O)NC1CC1 264851524 CBYPODQUFCYPED-SNVBAGLBSA-N 289.291 -0.411 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CCCCO1 269427486 MJPMRCSSKYWKEE-JTQLQIEISA-N 295.295 -0.274 50 20 CBGD CNC(=O)NCC(=O)NNc1ccc(C(F)(F)F)nn1 270816319 HSMWDCJZCVUXIP-UHFFFAOYSA-N 292.221 -0.133 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@H](C(=O)O)O1)c1ccc(O)cc1 276119926 LMQTWHDOBPZMDH-NXEZZACHSA-N 294.263 -0.215 50 20 CBGD C[C@@H]1CCCN(C(=O)C(=O)NNC(=O)C(C)(C)O)C1 277905445 HEIPLTZXXKYBQN-MRVPVSSYSA-N 271.317 -0.837 50 20 CBGD Cn1nnc2cc(C(=O)NNC(=O)CC3CC3)cnc21 294335048 ZFHWHEKFUVJSDL-UHFFFAOYSA-N 274.284 -0.076 50 20 CBGD O=S(=O)(CBr)N(CCO)CCCO 379357193 QSSIJGPBQRDMFQ-UHFFFAOYSA-N 276.152 -0.655 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1C[C@H]2CC[C@H]1O2 404972997 SPRHLTPPJHEYGB-IJLUTSLNSA-N 261.086 -0.128 50 20 CBGD CC(C)[C@@H](C(=O)Nc1cccc(B(O)O)c1)N(C)C 584909936 KZRSSFKPCYLRCZ-LBPRGKRZSA-N 264.134 -0.109 50 20 CBGD CO[C@@H]1COCC[C@H]1CC(=O)Nc1cccc(B(O)O)c1 584913002 YWVDHKABWOQRLD-GXFFZTMASA-N 293.128 -0.254 50 20 CBGD C[C@H](CO[C@H]1CCOC1)NC(=O)c1cccc(B(O)O)c1 584958008 NTIGIDNRYPVOOO-MFKMUULPSA-N 293.128 -0.710 50 20 CBGD O=C(NC[C@H](O)C1CCCC1)c1ccc(B(O)O)cc1 584960531 RBTRITHXPFZOMT-ZDUSSCGKSA-N 277.129 -0.353 50 20 CBGD CN(C[C@@H]1CCOC1)C(=O)c1cc(B(O)O)ccc1F 584960882 OIBGENUKQCRTQP-VIFPVBQESA-N 281.092 -0.386 50 20 CBGD C[C@]1(CO)CCC[C@H]1NC(=O)c1cc(B(O)O)ccc1F 584962089 HTLFAHXNXGSAAT-TZMCWYRMSA-N 295.119 -0.214 50 20 CBGD CCN(CC)[C@H](C)CNC(=O)c1ccc(B(O)O)c(F)c1 584985864 QTNILGNURBSHTF-SNVBAGLBSA-N 296.151 -0.034 50 20 CBGD CC(C)(C)C[C@H](O)CNCc1ccc(B(O)O)o1 585023363 KIXVERGPKRAWCU-VIFPVBQESA-N 255.123 -0.154 50 20 CBGD CC(C)(CCO)CNCc1cccc(B(O)O)c1 585027000 MMXJHIHMPWGMNQ-UHFFFAOYSA-N 251.135 -0.135 50 20 CBGD Cc1ccc(C[C@@H](CO)NCc2ccc(B(O)O)o2)cc1 585036107 AAUIDUCRNKVYIG-ZDUSSCGKSA-N 289.140 -0.039 50 20 CBGD C[C@H]1C(=O)Nc2cc(C(=O)NCB(O)O)ccc2N1C 585060035 KEPIHPZDRBPXRM-ZETCQYMHSA-N 277.089 -0.795 50 20 CBGD O=C([C@H]1CC(=O)N(C2CC2)C1)N1CC[C@H](B(O)O)C1 585076781 ZKZIREVLJRRGLK-IUCAKERBSA-N 266.106 -0.927 50 20 CBGD COCC[C@H](C)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 726261905 VVLCGVBQONIJIR-ONGXEEELSA-N 293.389 -0.208 50 20 CBGD O=C1CC(C(=O)NNC(=O)c2ccc3c(c2)OCO3)=NN1 732257959 BOELSCLSQTWUJK-UHFFFAOYSA-N 290.235 -0.948 50 20 CBGD Cc1nn(CCC(=O)O)c(C)c1C=NNC(N)=O 738922033 CCVYBVKOMLBWEO-UHFFFAOYSA-N 253.262 -0.023 50 20 CBGD CCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]1CCOC1 741841885 GNAXECNHFCCDEA-RKDXNWHRSA-N 291.373 -0.157 50 20 CBGD Cn1cc(C=NNC(=O)CNC(=O)c2ccco2)cn1 750936401 IXAMBIQHJXMGCB-UHFFFAOYSA-N 275.268 -0.107 50 20 CBGD O=C(CO)NNC(=O)c1cccnc1Br 753443263 WYDCELZDQALRHM-UHFFFAOYSA-N 274.074 -0.403 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCOC[C@@H](C)C1 754386384 ZGXRMZULPZTMMB-VHSXEESVSA-N 257.334 -0.099 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=O)COc1ccccc1O 755003174 VFRVYTQCWUUQRS-CYBMUJFWSA-N 298.295 -0.684 50 20 CBGD CC(C)(NS(C)(=O)=O)C(=O)NNc1ccccn1 777473553 OCPQFCXIPGRFAM-UHFFFAOYSA-N 272.330 -0.148 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)CNC(=O)c2ccco2)CO1 784091040 ZCXZDFDZPPYDBJ-BDAKNGLRSA-N 295.295 -0.418 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)NCC2CC2)C1 788500762 BLFCWFNAMSZFDT-UHFFFAOYSA-N 254.290 -0.795 50 20 CBGD O=C(CN1CC(=O)N(CC2CC2)C1)NNC(=O)C1CC1 789377603 LQUTWOHKOFZXCY-UHFFFAOYSA-N 280.328 -0.945 50 20 CBGD O=C(CO)NNC(=O)Nc1cccc2c1CCO2 797671133 HEAXNBNSNFMHOQ-UHFFFAOYSA-N 251.242 -0.234 50 20 CBGD COC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)CN(C)C)CC1 798109144 NBVLRWLBJSTARG-MGCOHNPYSA-N 285.344 -0.325 50 20 CBGD C=CCNC(=S)NNC(=O)c1n[nH]c(C)c1O 798306719 SSHNCNKZILWFIQ-UHFFFAOYSA-N 255.303 -0.281 50 20 CBGD CO[C@H](C)CS(=O)(=O)NNC(=O)C1CCC1 800836467 WRQCTAPVYOBFCH-SSDOTTSWSA-N 250.320 -0.228 50 20 CBGD CCn1nc(C)c(C(=O)NNC(=O)c2c[nH]nc2C)n1 815506314 SYYPYYGFWKKEHV-UHFFFAOYSA-N 277.288 -0.287 50 20 CBGD COCCN(C)NC(=O)c1cnc2sccn2c1=O 816561172 NVIWDNLBPQDOMQ-UHFFFAOYSA-N 282.325 -0.021 50 20 CBGD COCCN(C)NC(=O)CCSc1nnnn1C 816562812 ZTBIYGZIKMGTSI-UHFFFAOYSA-N 274.350 -0.698 50 20 CBGD Cn1nncc1NNC(=O)C(C)(C)NC(=O)C(F)(F)F 816772119 NUEYNMNXVKBHLT-UHFFFAOYSA-N 294.237 -0.285 50 20 CBGD CCCNC(=O)NNS(=O)(=O)CCOCC1CC1 818048449 JXPXXAAZGCHDDR-UHFFFAOYSA-N 279.362 -0.043 50 20 CBGD CCO[C@@H]1CC(=NNC(=O)C(N)=O)[C@]12CCCO2 819801509 JLPDRAQKGFKSFH-LDYMZIIASA-N 255.274 -0.698 50 20 CBGD CN1CCCC[C@H]1C(=O)NNC(=O)c1cc[nH]n1 824400877 GRBPZZGLZMVNLO-VIFPVBQESA-N 251.290 -0.345 50 20 CBGD COC[C@@](C)(O)C(=O)NNc1cccc(-c2nn[nH]n2)c1 826148584 LVIXHNXEGKDPOQ-GFCCVEGCSA-N 292.299 -0.293 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)C1(C(=O)O)CCCC1 830676560 QIRXIZKBBLIVDP-UHFFFAOYSA-N 283.328 -0.127 50 20 CBGD CN(C)S(=O)(=O)NCC(=O)NNc1cccc(C#N)c1 830766478 ISRQWADPXJTWTA-UHFFFAOYSA-N 297.340 -0.603 50 20 CBGD CC(=O)NC(C)(C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843647809 NUCXAQRSNXYWTD-VXNVDRBHSA-N 271.317 -0.527 50 20 CBGD CN(NC(=O)[C@@H]1CCc2nnnn2CC1)C1CC1 846269044 UKILKQHADOZQAE-MRVPVSSYSA-N 250.306 -0.249 50 20 CBGD CC[C@H](C#N)C(=O)NNC(=O)N1CCN(C)CC1 846638416 KJYZNTJOYJNJJF-SECBINFHSA-N 253.306 -0.476 50 20 CBGD Cc1ccc(C(=O)NNC(=O)N[C@H]2CCNC2)o1 851672414 JYJDEOQDOMTZSA-QMMMGPOBSA-N 252.274 -0.106 50 20 CBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=O)c1ccccc1 852945290 XEMFLWYKMASAIJ-GFCCVEGCSA-N 266.253 -0.063 50 20 CBGD CNC(=S)N(C)NC(=O)C1(S(C)(=O)=O)CCCC1 854925923 PJKUNXCLKPOPFR-UHFFFAOYSA-N 293.414 -0.189 50 20 CBGD COc1cc(CCC(=O)NNC(=O)c2ccnnc2)on1 854968940 RDXFXQACHAONNK-UHFFFAOYSA-N 291.267 -0.133 50 20 CBGD Cn1nnc(CNC(=O)NNc2ncc(Cl)cn2)n1 856891704 WSFXDBVLOUKVHI-UHFFFAOYSA-N 283.683 -0.520 50 20 CBGD COC1CC(C(=O)NNC(=O)N2CCN(C)CC2)C1 861569747 CTSXOWBMZVOLIH-UHFFFAOYSA-N 270.333 -0.600 50 20 CBGD C[C@@H](NNC(=O)CN1CCCNC1=O)C(F)(F)F 862307996 VEHRSJQWMFJLJZ-ZCFIWIBFSA-N 268.239 -0.027 50 20 CBGD CC1(C)OC[C@@H](CNC(=O)c2cc(B(O)O)ccc2F)O1 863876129 OKNZJIJNGWZNHK-SECBINFHSA-N 297.091 -0.613 50 20 CBGD O=Cc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)s1 865071101 OGEBSUTWCNOMFJ-UHFFFAOYSA-N 295.320 -0.056 50 20 CBGD COC(=O)N(C)NC(=O)N[C@H]1C[C@@H](C(=O)OC)C1 875669497 GQYOUVUJBOEERG-KNVOCYPGSA-N 259.262 -0.150 50 20 CBGD C#C[C@H](NC(=O)NNC(=O)C1CCOCC1)[C@@H]1CCCO1 883581487 YDTHQFVEKJRTIU-RYUDHWBXSA-N 295.339 -0.076 50 20 CBGD Cc1ncccc1C(=O)NNC(=O)CN1CCCC1=O 913731036 RJNFUMPBCHQTIR-UHFFFAOYSA-N 276.296 -0.227 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](C)n2cncn2)n1 915263195 BYIZLJWNKNALCW-SNVBAGLBSA-N 291.315 -0.500 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNc1nccc(OC)n1 920444945 KXYNHNGMWGZVIM-ZETCQYMHSA-N 267.289 -0.157 50 20 CBGD CCOc1ccccc1NC(=O)C(=O)NNC(=O)CCO 1116623804 XMOOGESYXGPSOQ-UHFFFAOYSA-N 295.295 -0.446 50 20 CBGD CO[C@]1(CNC(=O)NNC(=O)c2cn[nH]c2)CCOC1 1119083420 GCOJJYCUFMAYKI-NSHDSACASA-N 283.288 -0.841 50 20 CBGD C[C@H](O)CN(C)NC(=O)CN1CCC(CO)CC1 1120660443 QDQZFGJMMFJHLD-JTQLQIEISA-N 259.350 -0.966 50 20 CBGD O=C(Cc1nc2ncccn2n1)NNC(=O)C1CCC1 1251772371 VHKXJLPOYWJENJ-UHFFFAOYSA-N 274.284 -0.386 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@H]1CCOC1 1252560911 ZECLPLZUCJVBDF-NXEZZACHSA-N 289.332 -0.595 50 20 CBGD CC(C)OCCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1317940180 QIUWXOFHVLWVKN-VIFPVBQESA-N 292.357 -0.616 50 20 CBGD CCn1cnnc1CNC(=O)NNc1cccnn1 1318714985 VBBZMKLVURDRRY-UHFFFAOYSA-N 262.277 -0.086 50 20 CBGD CCNC(=O)c1cccc(NC(=O)NNC(=O)CCO)c1 1320566851 LXXOVNDQKHXURH-UHFFFAOYSA-N 294.311 -0.029 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1CCC[C@H](F)C1 1325988061 FRMSQQKEJMIGRB-IONNQARKSA-N 286.307 -0.124 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1nccn1C 1328121191 YUHKTOHCBSXUSJ-DTWKUNHWSA-N 281.316 -0.325 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)[C@@H]1CCNC1=O 1328680645 ZEOGUFBNCASKSD-SCSAIBSYSA-N 268.195 -0.985 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CCO[C@@H](C)C1 1330604025 PSDYQAIMJVGHGP-UWVGGRQHSA-N 274.317 -0.388 50 20 CBGD CCOC(=O)NNC(=O)C[C@H]1CCCS(=O)(=O)C1 1347781452 DSRKOQHAOLIYIG-MRVPVSSYSA-N 278.330 -0.021 50 20 CBGD C#CCCCC(=O)NNC(=O)C1(O)CCOCC1 1355145639 FLMDHVUAHSKDPL-UHFFFAOYSA-N 254.286 -0.521 50 20 CBGD CC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2CCN2)cc1F 1575018441 KHPLLIWKZXUZGQ-NSHDSACASA-N 294.286 -0.093 50 20 CBGD CC(C)Oc1ccc(C(=O)NNC(=O)[C@H]2CCN2)cn1 1575806997 DBCIPIJCYFLRQD-SNVBAGLBSA-N 278.312 -0.008 50 20 CBGD O=C(O)C(=O)NN=C1CCN(c2cnccn2)CC1 1601637647 GHKDZTADLNYSSX-UHFFFAOYSA-N 263.257 -0.366 50 20 CBGD COC(=O)NCC(=O)NNC(=O)CCOc1ccccc1 61475276 AZPAFSCFBUJUSM-UHFFFAOYSA-N 295.295 -0.041 50 20 CBGD NC(=O)CN1CCC(NS(=O)(=O)CCl)CC1 82512816 NEOUQIKSMGYCDV-UHFFFAOYSA-N 269.754 -0.948 50 20 CBGD O=C(Cn1cnnn1)NNC(=O)c1cc2ccccc2o1 177730285 IFFSAFXQYWZXLI-UHFFFAOYSA-N 286.251 -0.120 50 20 CBGD Cn1cnn(CC(=O)NNc2ccc(F)cc2)c1=O 181102758 FXTQFEHTIFCORR-UHFFFAOYSA-N 265.248 -0.136 50 20 CBGD CCNC(=O)N(C)NC(=O)COc1ccc(C(N)=O)cc1 272663152 IEMGWRWYWITMIV-UHFFFAOYSA-N 294.311 -0.143 50 20 CBGD O=C(NNC(=O)C1Cc2ccccc2C1)C(=O)NC1CC1 277437057 QIIBESPPFQDVRG-UHFFFAOYSA-N 287.319 -0.173 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCCC[C@@H]1CCO 584931496 XKDWFFGSTFQJKZ-CYBMUJFWSA-N 277.129 -0.257 50 20 CBGD CN1CCC[C@@H](N(C)C(=O)c2ccc(B(O)O)cc2)C1 584949070 CJUFLAOFNNGGFK-CYBMUJFWSA-N 276.145 -0.467 50 20 CBGD O=C(N[C@@H]1CCn2ccnc2C1)c1cccc(B(O)O)c1 584973783 JTMUKBBQTPGSHK-GFCCVEGCSA-N 285.112 -0.692 50 20 CBGD CN(C)CC1(NC(=O)c2cc(B(O)O)ccc2F)CCC1 584986541 ZNQMZZLUIGAUIQ-UHFFFAOYSA-N 294.135 -0.280 50 20 CBGD COC[C@@H]1[C@H]2CN(C(=O)c3cc(B(O)O)ccc3F)C[C@H]21 584986954 PEFBTYMSUGOTNQ-GDNZZTSVSA-N 293.103 -0.530 50 20 CBGD C[C@H](NCc1ccc(B(O)O)o1)[C@H](C)n1cccn1 585021389 JUUZHYLYNYKBBL-UWVGGRQHSA-N 263.106 -0.105 50 20 CBGD C[C@@H](NCc1cccc(B(O)O)c1)c1nncn1C 585022695 WRDDYZHKDDRNEA-SECBINFHSA-N 260.106 -0.654 50 20 CBGD CC(C)[C@](C)(O)CNCc1ccccc1B(O)O 585024526 YTSAFRISHKEQEC-CYBMUJFWSA-N 251.135 -0.137 50 20 CBGD OC[C@H](CNCc1ccc(B(O)O)cc1)[C@@H]1CCOC1 585039245 PQJPEXNWWQSFSI-OLZOCXBDSA-N 279.145 -0.899 50 20 CBGD O=C(NCB(O)O)c1ccc(Cl)c(N2CCNC2=O)c1 585059941 GSXVKMIFNYLRKK-UHFFFAOYSA-N 297.507 -0.389 50 20 CBGD Cc1cc(C(=O)NCB(O)O)c(C)n1-c1ccn(C)n1 585062132 BSJNGQSHSLZBFK-UHFFFAOYSA-N 276.105 -0.431 50 20 CBGD Cc1nn(CCC(=O)O)c(C)c1C=NNC(=O)CN(C)C 738923159 QULZCZYAPAUAFZ-UHFFFAOYSA-N 295.343 -0.014 50 20 CBGD O=C(CN1CCO[C@H](C(F)(F)F)C1)NNC(=O)C1CC1 739923731 XDEAAKAHCXNUHK-QMMMGPOBSA-N 295.261 -0.193 50 20 CBGD O=C(NNC(=O)c1cc(C2CC2)[nH]n1)C(=O)N1CCCC1 748240176 BGRLBGHVHXLDFV-UHFFFAOYSA-N 291.311 -0.330 50 20 CBGD C#CCOc1cc(F)ccc1NC(=O)NNC(=O)CO 756742785 OHVSERSTQSTASU-UHFFFAOYSA-N 281.243 -0.017 50 20 CBGD Cn1cccc1C(=O)NNC(=O)Nc1nccn(C)c1=O 757906064 HPMAKKZKAORERS-UHFFFAOYSA-N 290.283 -0.415 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cccn2c(O)nnc12 758441354 JCQPTBQTZGZAAU-UHFFFAOYSA-N 278.272 -0.259 50 20 CBGD CCc1ccccc1NC(=O)C(=O)NNC(=O)CO 764429757 XPSHBSRQTQBCDY-UHFFFAOYSA-N 265.269 -0.673 50 20 CBGD C[C@H](C=NNC(=O)[C@@H](C)NS(C)(=O)=O)CCC#N 766018928 CEYDEJHHSOXNFO-DTWKUNHWSA-N 274.346 -0.034 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 768245689 DLIJSDZLZQJPNR-JGVFFNPUSA-N 271.317 -0.804 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1cc(OC)ccc1O 775673692 TVIUMJQCRYSDOI-UHFFFAOYSA-N 289.313 -0.087 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@@H](n2cncn2)C1 776879975 XAQARGTWKUENED-SNVBAGLBSA-N 294.359 -0.282 50 20 CBGD CN(NC(=O)C(F)(F)C1(O)CCCC1)C(N)=O 786502578 AFGPHVGMTRVSRX-UHFFFAOYSA-N 251.233 -0.032 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1ccc(OC)nc1 795302374 OPEGOWMFVHCRDU-UHFFFAOYSA-N 274.302 -0.397 50 20 CBGD CNc1nc(C)cc(C(=O)NNC(=O)c2c[nH]nc2C)n1 806816208 JHNMEFXETFVYCM-UHFFFAOYSA-N 289.299 -0.067 50 20 CBGD CC(=NNC(=O)C(=O)NC1CC1)c1csc(N)n1 812451247 FHJHBJANYATERO-UHFFFAOYSA-N 267.314 -0.156 50 20 CBGD COCCn1cc(C=NNC(=O)Cc2cc[nH]n2)cn1 814957365 OJAZZKXOMFAIQO-UHFFFAOYSA-N 276.300 -0.055 50 20 CBGD Cn1c(NNC(=O)C2(C)CNC2)nc2ccccc2c1=O 817907104 QSDAPIPYCPBBQK-UHFFFAOYSA-N 287.323 -0.014 50 20 CBGD Cn1nnnc1CNC(=O)[C@]1(C)C[C@H]1Br 820102884 IFNFSHHMQOQVHI-SVGQVSJJSA-N 274.122 0.000 50 20 CBGD CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)CCl 820790435 JOEVMSLDJOOAPN-ZETCQYMHSA-N 254.739 -0.031 50 20 CBGD CCN(CCO)NC(=O)CCCCN1CCOCC1 823856026 KUDYHDRRFNBEST-UHFFFAOYSA-N 273.377 -0.166 50 20 CBGD O=C(Cn1cc(C2CC2)cn1)NNC(=O)N1CCOCC1 824621925 YYIBIMSQTMZWEN-UHFFFAOYSA-N 293.327 -0.167 50 20 CBGD Cc1cc(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n[nH]1 826056933 ZQQNIPYOJDSKNY-PSASIEDQSA-N 281.316 -0.026 50 20 CBGD COCCONC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 826652677 XHTNNYKVFXVRGX-JGVFFNPUSA-N 261.278 -0.680 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1 830596430 MLDVDUHMLABWRD-DTWKUNHWSA-N 271.317 -0.414 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccnc(C(=O)O)c1 832990983 PORKDWTYZSSXAT-UHFFFAOYSA-N 289.251 -0.114 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)[C@H]1CCCCO1 833251332 VWWZBCLVFHZSQV-NWDGAFQWSA-N 279.340 -0.200 50 20 CBGD CON(C)C(=O)CCC(C)=NNC(=O)C(=O)N1CCCC1 834949564 GGAMYECCACTPOG-UHFFFAOYSA-N 298.343 -0.099 50 20 CBGD CCNC(=O)N(C)NC(=O)C1(n2cccn2)CCNCC1 843493730 NKIFBYTXDAHRRX-UHFFFAOYSA-N 294.359 -0.346 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCN1CCCC1=O 845482967 KFGROUQJSLEVDI-ZJUUUORDSA-N 298.343 -0.636 50 20 CBGD CO[C@H](C)CNC(=O)NNC(=O)[C@H]1CCCCO1 852535002 SZSKJTXLUTVARJ-RKDXNWHRSA-N 259.306 -0.079 50 20 CBGD Cc1cccc(NNC(=O)CN2C(=O)CN(C)C2=O)n1 862524702 RGPIAWGLXKQTIG-UHFFFAOYSA-N 277.284 -0.273 50 20 CBGD C#CCSCC(=O)NNC(=O)CN1CCCC1=O 913730014 HQGLHTAISZLDGF-UHFFFAOYSA-N 269.326 -0.877 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=S)NCCN(C)C)n1 916124390 QAXCBMQJFFVPSI-UHFFFAOYSA-N 298.416 -0.443 50 20 CBGD CC(C)CC(=O)NNC(=S)NCC(=O)N(C)C 918716777 CIBIPWYTUDKADI-UHFFFAOYSA-N 260.363 -0.384 50 20 CBGD C[C@@H](Sc1nncn1C)C(=O)NNC(=O)C1CC1 1115894589 WGNQKXIGQHSYGX-ZCFIWIBFSA-N 269.330 -0.147 50 20 CBGD Cn1cc(C(=O)NNC(=O)NC[C@H]2CCCOC2)cn1 1116793980 UPOSNGRVZCMXND-SECBINFHSA-N 281.316 -0.209 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)C[C@H]1CCN(C(C)=O)C1 1319483768 XQMLYUHUYOAXGN-CMPLNLGQSA-N 298.387 -0.268 50 20 CBGD Cc1c(CCC(=O)NNC(=O)Cc2cc[nH]n2)cnn1C 1320107198 SNJZODHBJSCCPV-UHFFFAOYSA-N 290.327 -0.226 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cnn(C)c2)o1 1320520803 DAUPYTZCTBAOCX-UHFFFAOYSA-N 291.267 -0.279 50 20 CBGD Cc1nn(C)c(C)c1C(=O)C(=O)NNC(=O)NCC1CC1 1324346138 YSHLJAPCSZTBRN-UHFFFAOYSA-N 293.327 -0.040 50 20 CBGD NS(=O)(=O)c1ccc(C(=O)NN=c2cc[nH]cc2)cn1 1337481128 BYCJTUYAPZZPTO-UHFFFAOYSA-N 293.308 -0.697 50 20 CBGD CC[C@H](CN1CCCC1)NC(=O)NNC(=O)C(=O)OC 1340291226 HONXQQHXWOUGQS-SECBINFHSA-N 286.332 -0.636 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H]1CN2CCN1C[C@@H]2C 1520824254 HTKPSHRJVNJVKY-WDEREUQCSA-N 283.376 -0.495 50 20 CBGD COC(=O)[C@@]1(C(=O)NNC(=O)CN)C[C@@H]1c1ccccc1 1578778807 XBADTYAKUCNDQL-YGRLFVJLSA-N 291.307 -0.561 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1NCc2n[nH]cc21 1579974331 MEWBXDWWGFYRPC-SNVBAGLBSA-N 274.284 -0.646 50 20 CBGD Cn1ccc(NNC(=O)c2cc(-c3nn[nH]n3)ccn2)n1 1592580661 WHFGTIRLMOXECG-UHFFFAOYSA-N 285.271 -0.248 50 20 CBGD C[C@@]1(C(=O)NCC(=O)NCC(=O)O)C[C@@H]1Br 1593749299 LEUDYPDZRZKXPC-SSDLBLMSSA-N 293.117 -0.523 50 20 CBGD O=C(NNC(=O)[C@H]1CCCO1)[C@H]1CC[C@H]1C(=O)O 1594783155 UHUPIBRZAUSGDO-XLPZGREQSA-N 256.258 -0.576 50 20 CBGD COC(=O)N(C)NS(=O)(=O)[C@H]1C[C@@H](C(=O)O)C1 1598875452 DXZQPQDALIQPHH-OLQVQODUSA-N 266.275 -0.618 50 20 CBGD CC(=O)NNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl 1602948512 BTHRFMORVBYJGD-UHFFFAOYSA-N 281.663 -0.304 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)O 1609882706 YAWVKBMWXOKDFE-UHFFFAOYSA-N 282.256 -0.483 50 20 CBGD O=C(CN1CCC[C@H](O)C1)NNC(=O)c1cccs1 48694271 NGNAXZHWTAYGAF-VIFPVBQESA-N 283.353 -0.034 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)[C@@H]1COCCO1 55355340 FBQALSZSBIZKIP-LBPRGKRZSA-N 294.307 -0.200 50 20 CBGD O=C(NNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)C1CC1 75540282 FFSDDWRNDIGFBE-ZETCQYMHSA-N 293.245 -0.045 50 20 CBGD CN(CC(N)=O)CC(=O)NNC(=O)c1ccccc1Cl 79683937 DOIUMLBGFQAJAU-UHFFFAOYSA-N 298.730 -0.482 50 20 CBGD CN1CC[C@H](NC(=O)NNC(=O)c2ccccc2)C1=O 172344249 HVMVDWNAKVIFJG-JTQLQIEISA-N 276.296 -0.139 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@]1(C)CCN(C(C)=O)C1 378551527 OHRURBCUKQYUAI-GFCCVEGCSA-N 270.333 -0.063 50 20 CBGD C[C@H]1CO[C@H](C)CN1C(=O)c1ccc(B(O)O)cc1 584929074 ZMVXGWFPBRUNAN-VHSXEESVSA-N 263.102 -0.384 50 20 CBGD CN(C[C@H]1CCC[C@@H]1O)C(=O)c1cc(B(O)O)ccc1F 584967228 SOIWWLQEDVJWEL-RNCFNFMXSA-N 295.119 -0.262 50 20 CBGD CC[C@@]1(O)CCN(C(=O)c2cccc(B(O)O)c2)C1 584973313 FXGWIBGXIJFODE-CYBMUJFWSA-N 263.102 -0.647 50 20 CBGD CCN(C(=O)c1ccc(B(O)O)cc1)[C@@H](C)CO 584994367 HVGBHKSOGVRWRN-VIFPVBQESA-N 251.091 -0.791 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@H]2CC[C@H]2C1 585007157 KSFZQYBRUPCDFC-AOOOYVTPSA-N 263.077 -0.013 50 20 CBGD COCCOCC(=O)NNC(=S)N[C@H](C)COC 733123697 ANTDVHJRJIZJLO-MRVPVSSYSA-N 279.362 -0.820 50 20 CBGD Cc1ccc(NNC(=O)NCC[S@](C)=O)nn1 735103774 HDWPDGRILANMNN-KRWDZBQOSA-N 257.319 -0.210 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCN(CCOC)C1 739036387 TWUWZGWMOWBDDW-SNVBAGLBSA-N 288.348 -0.926 50 20 CBGD CNC(=O)C1(C(=O)NNc2ccnc(N(C)C)n2)CC1 740112856 RFWHXLAFUGJNQI-UHFFFAOYSA-N 278.316 -0.488 50 20 CBGD CN(C)CCCCC(=O)NNC(=O)N1CCOCC1 741209863 PSUIMHTUDNKONC-UHFFFAOYSA-N 272.349 -0.209 50 20 CBGD CCCCNC(=O)NNC(=O)C[C@@H]1SC(=N)NC1=O 742586403 YLHJLNUGAFOHBI-LURJTMIESA-N 287.345 -0.327 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cc[nH]c1 745203156 FOXMTWIRSIFWRE-ZETCQYMHSA-N 258.303 -0.598 50 20 CBGD O=C(NNC(=O)C1CC1)c1ccc(-n2ccnc2)nn1 750658794 KYMXNOKSXOAVIO-UHFFFAOYSA-N 272.268 -0.167 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCOC[C@H](C)C1 754386385 ZGXRMZULPZTMMB-ZJUUUORDSA-N 257.334 -0.099 50 20 CBGD COC[C@](C)(O)C(=O)NNc1nc(C)cc(C)n1 754967350 RLXWBPBABDIWHD-NSHDSACASA-N 254.290 -0.066 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=O)c1ccncc1 754977453 OVHWSZRNRWZYGN-NSHDSACASA-N 253.258 -0.760 50 20 CBGD N#Cc1cc(NC(=O)C(=O)NNC(=O)CO)ccc1Cl 764421648 PQMAFZFUUPSCLB-UHFFFAOYSA-N 296.670 -0.710 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CSCCS1 768260121 SAOYUJCXQKBHDI-LURJTMIESA-N 264.372 -0.247 50 20 CBGD CSCCNC(=S)NNC(=O)CNC(=O)C1CC1 769769042 JNQZAYRGYAUIQC-UHFFFAOYSA-N 290.414 -0.629 50 20 CBGD O=C(NNC(=O)c1nc[nH]n1)c1ccc2c(c1)OCCO2 772709078 UIJAGLAGUHCIKZ-UHFFFAOYSA-N 289.251 -0.349 50 20 CBGD COc1ccc(O)c(S(=O)(=O)NNC(C)=O)c1 775248337 YVGXPBMGLMKLSA-UHFFFAOYSA-N 260.271 -0.270 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C(=O)NCC2CC2)o1 788514886 PFUCPMRZNFUDGA-UHFFFAOYSA-N 265.269 -0.125 50 20 CBGD CC(=NNC(=O)CN1CCCC1=O)c1cnnn1C 814760822 HPRGBRVSNSIESI-UHFFFAOYSA-N 264.289 -0.722 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NOC[C@H]1CCOC1 826598080 NKQRQQVTSQDFCS-LPEHRKFASA-N 287.316 -0.290 50 20 CBGD CCNC(=O)N(C)NC(=O)Cn1nc2n(c1=O)CCCC2 845927196 XMFDXIBMLXJAEL-UHFFFAOYSA-N 296.331 -0.926 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](O)C2CC2)cc1 854260006 FTDRYCXAOKTDJX-LLVKDONJSA-N 291.307 -0.148 50 20 CBGD CNC(=O)NCC(=O)NNc1ncc(F)cc1F 857533027 FGIMICBTMJDZJF-UHFFFAOYSA-N 259.216 -0.268 50 20 CBGD COC(=O)C[C@H](C)C(=O)NNC(=O)c1cn[nH]c1 862472801 STBDDSBLBNDFOF-LURJTMIESA-N 254.246 -0.630 50 20 CBGD Cc1cccc(NNC(=O)[C@H](CO)NC(=O)C(C)C)n1 862519661 NNHXXOLDFUJBEA-JTQLQIEISA-N 280.328 -0.034 50 20 CBGD COC(=O)CCC(C)=NNC(=O)[C@H]1CCC(=O)N1 863147400 DYYUOXKLBAFHGM-MRVPVSSYSA-N 255.274 -0.290 50 20 CBGD Cc1cccc(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 863414080 RCXOGPYXTIVFHY-JTQLQIEISA-N 297.336 -0.417 50 20 CBGD COC(=O)[C@@]1(C)CCN(C(=O)c2cccc(B(O)O)c2)C1 863875551 AIJHDMWWLOCDAD-AWEZNQCLSA-N 291.112 -0.608 50 20 CBGD COCCOCC(=O)NNC(=O)Cn1ccnc1C 869906096 WKIVZRDKLMLDRV-UHFFFAOYSA-N 270.289 -0.998 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@H]2COC[C@H]2C1 872314381 BTSKZACWRPISJB-PHIMTYICSA-N 261.086 -0.915 50 20 CBGD CN1CCCC[C@H](C(=O)NNc2cnnn2C)C1=O 880121155 BWJDZBMFDORPCA-MRVPVSSYSA-N 266.305 -0.483 50 20 CBGD CN(C)S(=O)(=O)c1cc(C(=O)NN)ccc1F 916373662 LKMQRBLQASJTGT-UHFFFAOYSA-N 261.278 -0.321 50 20 CBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cccc(F)c1C 1320711782 VQCBOCOIZSHFPT-UHFFFAOYSA-N 297.242 -0.607 50 20 CBGD CC(C)NC(=S)NNC(=O)c1ccoc1CC(N)=O 1321814394 FAJYZSLQFVXWCL-UHFFFAOYSA-N 284.341 -0.175 50 20 CBGD CCCN1CCC[C@H]1CNC(=O)NNC(=O)C(=O)OC 1323401427 DCADXZZTKCOTFP-VIFPVBQESA-N 286.332 -0.636 50 20 CBGD C#CCn1ccnc1C=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1324051611 RXXRYYCBEUATNK-SNVBAGLBSA-N 294.336 -0.599 50 20 CBGD CCN(C)C(=O)[C@H](C)NC(=O)NNC(=O)c1cnn(C)c1 1326218739 LXAMVKCIWSYDGJ-QMMMGPOBSA-N 296.331 -0.769 50 20 CBGD COc1cc(CCC(=O)NNC(=O)N(C)C)on1 1327873248 YNONJKWTJVRTFP-UHFFFAOYSA-N 256.262 -0.082 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cccc(-n2cncn2)n1 1328344355 IXTKCCJFULHRDO-UHFFFAOYSA-N 289.299 -0.032 50 20 CBGD O=C(NC[C@H]1CCOC1)NNC(=O)[C@H]1CCCCO1 1348402781 AOJVMXYLBDIORW-NXEZZACHSA-N 271.317 -0.078 50 20 CBGD CO[C@H](C=NNC(=O)[C@H]1CCC(=O)N1)[C@@H]1CCOC1 1348411642 NBMMPPBHGAYDQZ-OPRDCNLKSA-N 269.301 -0.582 50 20 CBGD CCOCc1nc(C)cc(NNC(=O)C2(O)CNC2)n1 1573801312 CCTAHFSROVGOOP-UHFFFAOYSA-N 281.316 -0.901 50 20 CBGD CC(C)(O)[C@@H](O)C(=O)NNc1ccc(CC(=O)O)cc1 1590888697 LPQXRKUDLRVHCB-NSHDSACASA-N 282.296 -0.111 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(C(=O)O)n1 1594643998 KRCSEAIEKNQQSN-JGVFFNPUSA-N 293.279 -0.034 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCCC12CCOCC2 1601552924 NSBUYNYPACXPFN-MRVPVSSYSA-N 285.300 -0.249 50 20 CBGD O=C(O)CNC(=O)NN=Cc1cc2n(n1)CCC2 1602071933 BWPIKFLAXCAIEJ-UHFFFAOYSA-N 251.246 -0.453 50 20 CBGD O=C(O)Cn1ccc(NC(=O)NNC(=O)CC2CC2)n1 1602165378 JGAPLPNFSKWOJK-UHFFFAOYSA-N 281.272 -0.080 50 20 CBGD Cn1c2c(ccc1=O)C(=NNC(=O)NCC(=O)O)CCC2 1608092270 PDEKEZRHNBXLOA-UHFFFAOYSA-N 292.295 -0.191 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNC(=O)c1ccccc1 27575668 IWYZNONJMSYEIV-ZETCQYMHSA-N 250.258 -0.496 50 20 CBGD CCc1noc(CCCC(=O)NNC(=O)NC)n1 48950697 MAUHAQLYJXDVJY-UHFFFAOYSA-N 255.278 -0.085 50 20 CBGD CCc1nn(C)cc1C(=O)NNC(=O)NCCCOC 92342960 KDUFLZPRJWKAKJ-UHFFFAOYSA-N 283.332 -0.037 50 20 CBGD CC[C@H](C(=O)NNC(=O)c1cnn(C)c1)N(C)C 152754275 LJKQQCBMIDQPDR-SECBINFHSA-N 253.306 -0.479 50 20 CBGD Cc1ccc(-c2nnn(CC(=O)NN(C)C(N)=O)n2)cc1 182645859 PGWBCOYEJIUSGY-UHFFFAOYSA-N 289.299 -0.310 50 20 CBGD C=CCNc1ncc(C(=O)NNC(=O)CO)s1 182752702 UHMHIEJRHAQSSX-UHFFFAOYSA-N 256.287 -0.506 50 20 CBGD Cn1c(CC(=O)NNC(=O)c2c[nH]nn2)nc2ccccc21 193894396 BKWBWURZYQBFOL-UHFFFAOYSA-N 299.294 -0.305 50 20 CBGD CN(NC(=O)CNS(=O)(=O)c1cccs1)C(N)=O 271425399 ZOEJRAZSYPQFAJ-UHFFFAOYSA-N 292.342 -0.932 50 20 CBGD CC(=O)N[C@H](CC1CCC1)C(=O)NN(C)C(N)=O 279801587 IJVXAOSBOAJZJE-SECBINFHSA-N 256.306 -0.277 50 20 CBGD Cc1ccn(CC(=O)NNC(=O)[C@@H]2CCCCO2)c(=O)c1 295603620 QCKKHKKYFXSSPR-NSHDSACASA-N 293.323 -0.127 50 20 CBGD COC(=O)NNS(=O)(=O)c1cc(C(=O)OC)n(C)c1 492046265 MBGMHKYYDPBQNA-UHFFFAOYSA-N 291.285 -0.639 50 20 CBGD CC[C@@H](O)CCCNC(=O)c1cc(B(O)O)ccc1F 584955042 RDXTWBHDECHQLF-SNVBAGLBSA-N 283.108 -0.214 50 20 CBGD CSCCN(C)C(=O)c1cc(B(O)O)ccc1F 584958072 OVXNLZVGJBBJHO-UHFFFAOYSA-N 271.122 -0.060 50 20 CBGD O=C(NCC[C@@]1(O)CCCOC1)c1cccc(B(O)O)c1 585004743 LZQGZTVWRGSYLW-AWEZNQCLSA-N 293.128 -0.972 50 20 CBGD O=C(NCC12CC(CO1)C2)c1ccc(B(O)O)cc1 585010288 MBPNBKAODWMXEH-UHFFFAOYSA-N 261.086 -0.725 50 20 CBGD OC[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NCc1ccc(B(O)O)cc1 585040290 ICXQVFDDHVEAMW-NZBPQXDJSA-N 275.157 -0.137 50 20 CBGD COc1cccc(S(=O)(=O)NCB(O)O)c1F 585057010 HHKVABZJMNHCEN-UHFFFAOYSA-N 263.055 -0.875 50 20 CBGD COc1cc(/C=C/C(=O)NCB(O)O)cc(OC)c1OC 585057095 KWBQEZBNIDAQPT-SNAWJCMRSA-N 295.100 -0.146 50 20 CBGD O=C(NCB(O)O)c1nc(C(F)(F)F)n2c1CCCC2 585063363 YQEGKEQRZSYGRI-UHFFFAOYSA-N 291.038 -0.020 50 20 CBGD CCC(=O)N[C@H](CCSC)C(=O)NNC(=O)N(C)C 746014691 MHTNOOHADSLBON-MRVPVSSYSA-N 290.389 -0.063 50 20 CBGD COCCCNC(=O)NNC(=O)CCCC(=O)N(C)C 746166688 CZAGARSTDINLSH-UHFFFAOYSA-N 288.348 -0.388 50 20 CBGD Cn1c(O)nc2cc(C(=O)NNC(=O)CO)ccc21 753453126 YGBLGRZMBYICNG-UHFFFAOYSA-N 264.241 -0.968 50 20 CBGD N=C1NC(=O)[C@@H](CC(=O)NNc2ncc(F)cn2)S1 762105985 PHCULIGSNKGGRQ-RXMQYKEDSA-N 284.276 -0.385 50 20 CBGD CN(C)C(=O)NNC(=O)CN(C)[C@H]1CCSC1 766839878 BIYCZDCOZYWXEL-QMMMGPOBSA-N 260.363 -0.274 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCC(=O)N1C 772298353 XOGXJPKQMNUNPE-SFYZADRCSA-N 285.300 -0.904 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21 780487130 COPQUCJHLOZNGO-SZEHBUNVSA-N 264.285 -0.096 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CC2(CC2)C1 814835731 ZWGOEMKIFLPVPQ-SSDOTTSWSA-N 259.331 -0.030 50 20 CBGD O=C1C[C@@H](C(=O)NNc2ccccc2[N+](=O)[O-])NC(=O)N1 816918416 ZZRQZVNMJDQMPB-ZETCQYMHSA-N 293.239 -0.364 50 20 CBGD O=C(NNC(=O)C1(Br)CC1)c1ncon1 832825980 NQOVFFVGJUUCEF-UHFFFAOYSA-N 275.062 -0.242 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCN1C(=O)CCC1=O 843641628 GXJWQYBKOJBIII-BDAKNGLRSA-N 297.311 -0.902 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCN(C)[C@@H]1C 843804720 IPPWZHHCELJPPB-MWLCHTKSSA-N 298.387 -0.221 50 20 CBGD COC(=O)Cc1ccc(NNC(=O)[C@H](C)NC(N)=O)cc1 846376672 WVYRJPMSKNFHKF-QMMMGPOBSA-N 294.311 -0.098 50 20 CBGD C[C@H](CC(=O)NNC(=O)CN(C)C)n1ccnc1 846632847 FDSDBGOPIFCLGO-SECBINFHSA-N 253.306 -0.457 50 20 CBGD CN1C(=O)CC[C@H]1CC(=O)NNC(=O)c1cccn1C 854287699 KVAVBNWHXPDGEL-VIFPVBQESA-N 278.312 -0.203 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](C)[C@H](CO)C1 856795203 CDJGNLBQVUKHNP-DCAQKATOSA-N 271.361 -0.117 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NNc1ccncn1 857520972 VVIXROKPJHKVPC-JTQLQIEISA-N 265.317 -0.112 50 20 CBGD CO[C@@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(C)C 858288207 XRDVSTGCGGUBCA-BDAKNGLRSA-N 286.332 -0.734 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCc2nc[nH]c2C1 859308138 OPAKMRLLLNQKIG-QMMMGPOBSA-N 265.317 -0.286 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2noc3c2CCCC3)N1 862452973 PUVZZUYYYNQYSI-QMMMGPOBSA-N 292.295 -0.407 50 20 CBGD CC1CCN(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 862456748 SGIVXIZRSGFYLH-SNVBAGLBSA-N 282.344 -0.856 50 20 CBGD C[C@@H]1CC(=NNC(=O)[C@@H]2CCC(=O)N2)c2nccn21 863149492 ARQGHFUSEMBRGF-SFYZADRCSA-N 261.285 -0.053 50 20 CBGD N#C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)CCN1C1CC1 863890999 WJJXQCYCDVNVNY-AWEZNQCLSA-N 299.139 -0.821 50 20 CBGD COCCOCC(=O)NN=C(C)c1cn(C)nn1 872400602 VSZVZQQTNQKJCQ-UHFFFAOYSA-N 255.278 -0.682 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CNC(=O)c1ccncc1 910161290 UPGZDKZOJVZHTC-SECBINFHSA-N 266.301 -0.845 50 20 CBGD Cc1csc(=O)n1CCC(=O)NN(C)C[C@@H](C)O 910176402 ADNKJSVGHINMRP-SECBINFHSA-N 273.358 -0.048 50 20 CBGD O=C1CN(CC(=O)NNc2cccnc2Cl)CCN1 910399999 LTYYVMUPNQDITM-UHFFFAOYSA-N 283.719 -0.390 50 20 CBGD C[C@@H]1COC[C@H]1NC(=O)NNC(=O)[C@@H]1CCCCO1 926021061 UTMNUTCVFINKNV-BBBLOLIVSA-N 271.317 -0.079 50 20 CBGD O=C(COCc1ccncc1)NNC(=O)N1CCOCC1 1117665952 NTSTVLKMPKKAMQ-UHFFFAOYSA-N 294.311 -0.329 50 20 CBGD Cn1nnc2c1C[C@H](C(=O)NNC(=O)NCC1CC1)CC2 1117666820 OESWVJXICMKQFV-SECBINFHSA-N 292.343 -0.340 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCCN(C(N)=O)C1 1261499630 QANBKIZPXARBRP-GUBZILKMSA-N 298.343 -0.651 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@H]1CO 1263119322 DPOKFIFIGSUVGR-CIUDSAMLSA-N 257.290 -0.781 50 20 CBGD CC(C)NC(=S)NNC(=O)CN1CCCC1=O 1317716316 CIVQETHIZRDQBM-UHFFFAOYSA-N 258.347 -0.488 50 20 CBGD CC(=O)N1CCC[C@H](C(=O)NNC(=O)N(C)C)C1 1324683898 MBYCGMWERUSRLB-VIFPVBQESA-N 256.306 -0.453 50 20 CBGD CC1(C)C[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)CCO1 1336316441 QITDGUVOBHQTRN-SNVBAGLBSA-N 297.355 -0.039 50 20 CBGD Cc1cc(C(=O)NNC(=O)C2(C#N)CCOCC2)n[nH]1 1341309250 KPYYNIOQFZIHRK-UHFFFAOYSA-N 277.284 -0.201 50 20 CBGD CN(NC(=O)c1cc(Cn2cccn2)on1)C(N)=O 1343950587 SINKIGVTHPSQFC-UHFFFAOYSA-N 264.245 -0.425 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H](C)[C@H]1CCC(=O)N1 1351591012 GZCKJYXNRHNQGF-NKWVEPMBSA-N 258.347 -0.632 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)C[C@]1(O)CCCNC1 1575141982 TXWPVZPISKCLPZ-GFCCVEGCSA-N 288.417 -0.215 50 20 CBGD O=C(NNC(=O)[C@H]1CCN1)[C@H]1CCCC12OCCO2 1580733003 LSCXGHZKSYMINO-RKDXNWHRSA-N 269.301 -0.961 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNc1cc(C)nc(C)n1 1593910796 ASUBATBVKWNSMZ-MRVPVSSYSA-N 254.246 -0.364 50 20 CBGD O=C(O)CC[C@H]1C[C@H](C(=O)NNC(=O)NC2CC2)CO1 1595005497 NUNAPUGZEULMHX-CBAPKCEASA-N 285.300 -0.251 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)CC1(CC(=O)O)CC1 1596463153 QSHLEBQROUKYFC-UHFFFAOYSA-N 293.345 -0.263 50 20 CBGD CN(C)[C@H]1CCC[C@@H](NC(=O)NNC(=O)C(=O)O)C1 1598190288 JVUGTKWAWGZHEV-SFYZADRCSA-N 272.305 -0.726 50 20 CBGD Cc1cc(C(=O)O)oc1C(=O)NNC(=O)c1ncon1 1600132909 BIJKBMZAUMOZPT-UHFFFAOYSA-N 280.196 -0.256 50 20 CBGD N#Cc1nc(C(=O)O)ccc1N1CC[C@@H](B(O)O)C1 1601132998 IGXXXAQTYAAVIU-SSDOTTSWSA-N 261.046 -0.295 50 20 CBGD O=C(NNC(=O)c1c[nH]c(C(=O)O)c1)c1ccnnc1 1601555825 JCTBHJNWWITMKZ-UHFFFAOYSA-N 275.224 -0.422 50 20 CBGD O=C(O)[C@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 1602212135 HAQPZLBQNQOMHI-SNVBAGLBSA-N 263.058 -0.944 50 20 CBGD NC(=O)C(=O)NN=Cc1ccc(CCC(=O)O)o1 1776016095 VDESMPAFSGCCNM-UHFFFAOYSA-N 253.214 -0.768 50 20 CBGD O=C(Cc1cccc(F)c1)NNC(=O)C(=O)NC1CC1 8393096 QDBQFBKQSFNLBJ-UHFFFAOYSA-N 279.271 -0.206 50 20 CBGD COCCCNC(=O)NNC(=O)c1cnsn1 49167275 CUCCMSMXKUXXSZ-UHFFFAOYSA-N 259.291 -0.481 50 20 CBGD CCC(CC)N1C[C@@H](C(=O)NNC(=O)CN(C)C)CC1=O 172160259 QNZZMEUMHQCSGA-JTQLQIEISA-N 298.387 -0.268 50 20 CBGD COC(=O)CCCC(=O)NNC(=O)c1cnn(C)c1 274044851 GBVUXKZCGSRQKJ-UHFFFAOYSA-N 268.273 -0.476 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1ncccc1C 276785847 VWDSNGGTFXXXQH-UHFFFAOYSA-N 266.301 -0.062 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 279896235 ZDMWSFYNPBJFHF-SECBINFHSA-N 262.269 -0.570 50 20 CBGD O=S(=O)(CBr)NCCN=c1cncc[nH]1 379774065 BZRZSGGTSOUIQA-UHFFFAOYSA-N 295.162 -0.418 50 20 CBGD CC(=O)NCCN(C)C(=O)/C(C#N)=C\c1cnn(C)c1 491045986 GGFWDLLHXRUCNA-SDQBBNPISA-N 275.312 -0.078 50 20 CBGD COC(=O)N(C)NC(=O)c1ccc2nnnn2c1 495822397 GSICIPABNRYANF-UHFFFAOYSA-N 250.218 -0.533 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H](n2cncn2)C1 584978199 VOCKBMUPFGMIPO-GFCCVEGCSA-N 286.100 -0.955 50 20 CBGD CO[C@H](C)CN(C)C(=O)c1ccc(B(O)O)c(F)c1 584988626 BRPFYVCZLDNIAK-MRVPVSSYSA-N 269.081 -0.388 50 20 CBGD COCCOC[C@H](C)NCc1ccc(B(O)O)cc1F 585027168 ONZURZIPKVLOCV-JTQLQIEISA-N 285.124 -0.353 50 20 CBGD OB(O)c1ccc(CNC[C@]2(O)C[C@H]3C=C[C@H]2C3)c(F)c1 585047078 GGEJPASKFOGHDN-ITDIGPHOSA-N 291.131 -0.078 50 20 CBGD CN(CC1CC1)S(=O)(=O)N1CC[C@@H](B(O)O)C1 585058294 XCICAFNXYVGJMD-SECBINFHSA-N 262.140 -0.878 50 20 CBGD CS(=O)(=O)c1cc(C(=O)NCB(O)O)ccc1Cl 585058998 WRMSDPOSKZQMAE-UHFFFAOYSA-N 291.521 -0.515 50 20 CBGD O=C(NCB(O)O)c1cccnc1OCC(F)(F)F 585059995 IVYKUGDSRFAZPP-UHFFFAOYSA-N 277.995 -0.236 50 20 CBGD O=C(CC1CCCC1)NCC(=O)N1CC[C@@H](B(O)O)C1 585066109 MFUUWAPYFGYWCT-LLVKDONJSA-N 282.149 -0.242 50 20 CBGD O=C(CN1CCN(C(=O)C2CC2)CC1)NNC(=O)C1CC1 733193162 GIKTUXMPOZUUCF-UHFFFAOYSA-N 294.355 -0.902 50 20 CBGD CN1CCN(C)[C@@H](CNC(=O)NNc2cccnn2)C1 736387020 MEGRFCSLUUNYLQ-JTQLQIEISA-N 279.348 -0.652 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)CNc1ccccc1 753396431 MXNCCXZWVNXIGK-NSHDSACASA-N 290.323 -0.133 50 20 CBGD CSCCC=NNC(=O)[C@H](C)NS(C)(=O)=O 755700041 VGECFDADTVTSIJ-ZETCQYMHSA-N 267.376 -0.221 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 759749094 NRCFKUQEZVSNAN-JGVFFNPUSA-N 286.332 -0.604 50 20 CBGD C[C@@H](C#N)C(=O)NNc1nccc(N2CCOCC2)n1 762848865 VYEDPCORZVWQDY-VIFPVBQESA-N 276.300 -0.084 50 20 CBGD CCNC(=O)NNC(=O)CN(C)[C@H]1CCSC1 766825655 XQPUHELGWFJTJS-QMMMGPOBSA-N 260.363 -0.226 50 20 CBGD Cc1cc(C(=O)NNC(=O)CN(C)C(=O)C2CC2)n[nH]1 768279015 QDIUICJHMLTGMB-UHFFFAOYSA-N 279.300 -0.652 50 20 CBGD NC(=O)C1(C(=O)NNc2cc(Cl)nc(N)n2)CCC1 773860710 IGPIMTWXIICSRJ-UHFFFAOYSA-N 284.707 -0.189 50 20 CBGD CC[C@@H]1CN([C@H](CC)C(=O)NN(C)C(N)=O)CCO1 774092815 PYFWCAPFNUQOCP-NXEZZACHSA-N 272.349 -0.083 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@H](CO)C(=O)OCC 782760223 PSLAOYRTJYWWOG-UFGYOYAJSA-N 256.258 -0.529 50 20 CBGD COc1cc(C(=O)NNC(=O)CO)cc([N+](=O)[O-])c1C 792416602 AJEUGRMPGWEBSV-UHFFFAOYSA-N 283.240 -0.335 50 20 CBGD Nc1ccc(C=NNC(=O)CN2CCCC2=O)cn1 807957763 XGBSVFASKRWHJW-UHFFFAOYSA-N 261.285 -0.264 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](F)C(F)(F)F 814798369 INNLZDGOVICPQJ-BYPYZUCNSA-N 273.186 -0.441 50 20 CBGD CC(C)C(=O)NNC(=O)CN(C(C)C)C1COC1 830220609 COMMKUSSQQBDNN-UHFFFAOYSA-N 257.334 -0.101 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=S)NCCCN(C)C 843277836 UQAFPCXJLDHELA-VHSXEESVSA-N 288.417 -0.142 50 20 CBGD CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843646903 ROFRCUWOYRMIAL-DOLQZWNJSA-N 256.302 -0.016 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCCS2(=O)=O)n[nH]1 847625955 BEMBVVODRXIMLJ-QMMMGPOBSA-N 286.313 -0.944 50 20 CBGD CO[C@@]1(C)C[C@H]1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 852394646 VTCJJWFCEXCKFZ-HAYRHPOISA-N 271.317 -0.081 50 20 CBGD CCOC(=O)N1CCC(C)(C=NNC(=O)C(N)=O)CC1 853260440 UFYMZNVFMRVKRG-UHFFFAOYSA-N 284.316 -0.168 50 20 CBGD O=CN1CCC[C@H]1C(=O)NNc1ncncc1F 854609104 KWFYBOYZKFRRKH-QMMMGPOBSA-N 253.237 -0.320 50 20 CBGD CC1(C)C[C@H]1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858215496 GKVWEIQARYJAIL-JGVFFNPUSA-N 268.317 -0.359 50 20 CBGD CSC(C)(C)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858262764 DMBIAQRSQAFLQR-SSDOTTSWSA-N 288.373 -0.263 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NOC/C=C\Cl)N1 858476695 NLIXOYBHRLNHIS-WFEAHWDDSA-N 276.680 -0.721 50 20 CBGD O=C(C[C@H]1C=CCC1)NNC(=O)[C@H]1CCC(=O)N1 862448313 CJJKGIJXIJEOKB-DTWKUNHWSA-N 251.286 -0.231 50 20 CBGD N#Cc1csc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862455006 CHOPZKJTORZNGW-SSDOTTSWSA-N 278.293 -0.341 50 20 CBGD CCOC1CC(C(=O)NNC(=O)c2cn[nH]c2)C1 862470357 NVHRYRRYGJOHDQ-UHFFFAOYSA-N 252.274 -0.014 50 20 CBGD O=C(NNC(=O)C1(O)CCCCC1)c1cn[nH]c1 862472089 FFVJKRGZGYOXHC-UHFFFAOYSA-N 252.274 -0.134 50 20 CBGD CCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1cn[nH]c1 862473947 DLFFQYUENBFDIS-JTQLQIEISA-N 293.327 -0.038 50 20 CBGD CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NN(C)C(=O)OC 875437080 LRGMLIXOYGNDLF-SFYZADRCSA-N 272.305 -0.187 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@H]1CCCC(=O)N1 899997019 CTHOHIWGMQERGE-SSDOTTSWSA-N 272.374 -0.051 50 20 CBGD COC(=O)c1ccn(CC(=O)NN(C)[C@@H](C)CO)n1 911445329 RVCJWSRVGKSYEV-QMMMGPOBSA-N 270.289 -0.987 50 20 CBGD C[C@@](O)(C(=O)NNC(=O)CN1CCCC1=O)C1CCC1 913732623 COENZHJFCPSVQM-ZDUSSCGKSA-N 283.328 -0.693 50 20 CBGD Cn1ncc2c1CCCC2=NNC(=O)C(=O)NC1CC1 915956217 TZOIWGGRKJLFQI-UHFFFAOYSA-N 275.312 -0.145 50 20 CBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cnn[nH]1 918278211 ULXAVOHFUOEFLR-JTQLQIEISA-N 289.251 -0.594 50 20 CBGD CN1CC[C@@H](NC(=O)NNc2nncc(N)c2Cl)C1=O 1116630932 WAQSUSHPOAKKOD-ZCFIWIBFSA-N 299.722 -0.431 50 20 CBGD CC(C)NC(=S)NNC(=O)CCS(C)(=O)=O 1118605463 MLGWOFOMXIPZTH-UHFFFAOYSA-N 267.376 -0.675 50 20 CBGD O=C(COC[C@@H]1CCCO1)N1CC[C@@H](B(O)O)C1 1118915755 JHVXQCZTSJNYND-ZJUUUORDSA-N 257.095 -0.743 50 20 CBGD C[C@H]1CC(=O)CC[C@H]1C(=O)NNC(=O)CN1CCCC1=O 1119663451 PVPRSUUYQUOSTD-GXSJLCMTSA-N 295.339 -0.239 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@H]1CCOC1 1252560917 ZECLPLZUCJVBDF-VHSXEESVSA-N 289.332 -0.595 50 20 CBGD CC(C)c1nn(C)cc1C(=O)NNC(=O)C(=O)NC1CC1 1261440688 RRHGHXWZPUPCOY-UHFFFAOYSA-N 293.327 -0.417 50 20 CBGD CCn1cc(CC(=O)N2CC[C@H](B(O)O)C2)cn1 1261843841 UECQZPIXLUYYKS-JTQLQIEISA-N 251.095 -0.479 50 20 CBGD O=C(NCC(=O)N1CCCC1)NNc1cccnn1 1318667099 CRJMIVZDAZTWGQ-UHFFFAOYSA-N 264.289 -0.275 50 20 CBGD CC1(C)C[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)CCO1 1320290520 RVVNIWHMIGUEKJ-SECBINFHSA-N 298.343 -0.447 50 20 CBGD COC(=O)NNC(=O)c1cn(Cc2ccccn2)nn1 1325554908 OPNBBICPTPSWKC-UHFFFAOYSA-N 276.256 -0.278 50 20 CBGD Cc1c(CCC(=O)NNc2cnnn2C)cnn1C 1329009977 WWMORKWOAFCANM-UHFFFAOYSA-N 263.305 -0.067 50 20 CBGD O=C(CN1CC[C@H]2NC(=O)CC[C@H]2C1)NNC(=O)C1CC1 1330576773 PEQLZNWINUTYNQ-WDEREUQCSA-N 294.355 -0.856 50 20 CBGD CNC(=S)N(C)NC(=O)c1c(CO)noc1C 1331202584 CBPFYRQMKWKLAW-UHFFFAOYSA-N 258.303 -0.444 50 20 CBGD CCn1cc(S(=O)(=O)NNC(=O)NC)nc1C 1341494431 QMFBTWBYUCOFFY-UHFFFAOYSA-N 261.307 -0.666 50 20 CBGD COCCCn1nccc1C=NNC(=O)[C@@H]1CCC(=O)N1 1348411287 JWKYTSDOIRDJRY-NSHDSACASA-N 293.327 -0.352 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@]23CNC[C@@H]2C3)n1 1579146292 MLLQDFGPJQFLDM-QPUJVOFHSA-N 263.301 -0.154 50 20 CBGD C[C@@]1(C(=O)NNC(=O)CCSCC(=O)O)CCCO1 1593756454 RHGSPKPNGVGOMM-NSHDSACASA-N 290.341 -0.089 50 20 CBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=O)CC(F)(F)F 1593926416 IDHLIVZRBRFAPP-SSDOTTSWSA-N 272.179 -0.424 50 20 CBGD COCC[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)O 1599212836 IXWQGWVDSRUIAY-UAWPZABVSA-N 292.295 -0.067 50 20 CBGD C[C@H](NC(=O)[C@H](C)NC(=O)NNc1ncccn1)C(=O)O 1599897727 LYQQXCJOFHVWMW-BQBZGAKWSA-N 296.287 -0.920 50 20 CBGD O=C(NNC(=O)c1ncccn1)c1csc(C(=O)O)n1 1601557784 TYBYNLOMQUHGKX-UHFFFAOYSA-N 293.264 -0.294 50 20 CBGD CC[C@H](CNCc1ccc(B(O)O)cc1)C(=O)O 1603574003 WWEZXNSKDVGXNH-SNVBAGLBSA-N 251.091 -0.433 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccnc(C(=O)O)c1 1603685389 DHZBGDOCSFQXTQ-UHFFFAOYSA-N 267.241 -0.688 50 20 CBGD CC(C)(C)[C@H]1C[C@@H](NC(=O)NNC(=O)C(=O)O)CCO1 1609654833 LVAAVEUTKBMEST-JGVFFNPUSA-N 287.316 -0.005 50 20 CBGD COCC[C@@H](NC(=O)NNC(=O)C(=O)O)c1ccco1 1610256270 WROOYGIGSVWBSL-SSDOTTSWSA-N 285.256 -0.228 50 20 CBGD C#CCN1CCC(C(=O)NNC(=O)NCC)CC1 49378087 FAFCKGGEYJVHHB-UHFFFAOYSA-N 252.318 -0.318 50 20 CBGD CCOC(=O)CN(C)CC(=O)NNC(=O)c1ccccc1 50067107 IUQXQKRGQGKKGG-UHFFFAOYSA-N 293.323 -0.058 50 20 CBGD O=S1(=O)C[C@H](O)[C@H](I)C1 82879967 LQNJBIPXTGBGQQ-DMTCNVIQSA-N 262.068 -0.421 50 20 CBGD O=C(CCC1CC1)NNC(=O)C(=O)N1CCCC1 115352574 XKPSWFHOBUJCGV-UHFFFAOYSA-N 253.302 -0.054 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)c2ccc(=O)[nH]n2)cc1 142519289 GPAXOBDRVDZXLH-UHFFFAOYSA-N 283.247 -0.284 50 20 CBGD CC[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)N(C)C 157376445 MMXVCVMCUSLNFC-VIFPVBQESA-N 270.333 -0.904 50 20 CBGD COc1nccnc1NNC(=O)[C@H]1CCc2nccn2C1 364340721 RPTICSPFXFRLFG-VIFPVBQESA-N 288.311 0.387 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCN2C(=O)OC[C@H]2C1 493976064 YSZMSODCHAOJOF-SECBINFHSA-N 298.343 -0.684 50 20 CBGD O=C(NC[C@H]1CC[C@@H](O)C1)c1ccc(B(O)O)cc1 584980231 UHFJJXOJKFHPNH-JOYOIKCWSA-N 263.102 -0.743 50 20 CBGD C[C@H]1COCC[C@H]1CNC(=O)c1cccc(B(O)O)c1 584989553 QIEWGOTVHHEYII-JQWIXIFHSA-N 277.129 -0.231 50 20 CBGD O=C(N[C@H](CO)CC1CCC1)c1ccc(B(O)O)cc1 584991588 DWTBGBBJITWZCE-ZDUSSCGKSA-N 277.129 -0.353 50 20 CBGD CC1(C)[C@H]2OCC[C@@H]2[C@H]1NCc1ccc(B(O)O)o1 585025193 NZNAFJZSEAERBZ-JLLWLGSASA-N 265.118 -0.138 50 20 CBGD C[C@H](CO[C@H]1CCOC1)NCc1cccc(B(O)O)c1 585029514 AIDBACKXLNUJQP-RISCZKNCSA-N 279.145 -0.350 50 20 CBGD COc1ccsc1S(=O)(=O)N1CC[C@H](B(O)O)C1 585058560 ISMUNQQTECESPU-ZETCQYMHSA-N 291.159 -0.006 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)c2ccc[nH]2)CCC1 729966580 MCPUROAKJMOMDF-UHFFFAOYSA-N 264.285 -0.308 50 20 CBGD CCCS(=O)(=O)CC(=O)NNC(=O)c1c[nH]nc1C 732084017 FISHJRAJGHTVDX-UHFFFAOYSA-N 288.329 -0.696 50 20 CBGD C[C@@H]1[C@@H](C)[S@@](=O)CCN1CC(=O)NNC(=O)C1CC1 736626656 ANRGWCMADOXJJM-LQJGKPAFSA-N 287.385 -0.615 50 20 CBGD COc1cccc(C(=O)NNC(=O)Cc2cc[nH]n2)n1 755283239 UVWCPJRXXPZSGJ-UHFFFAOYSA-N 275.268 -0.183 50 20 CBGD CC[C@@H](NC(=O)NNC(=O)C(=O)NC1CC1)[C@H]1CCCO1 756738944 YLBLXJHBBAGMFL-NXEZZACHSA-N 298.343 -0.447 50 20 CBGD CCC(=O)NNC(=O)Nc1cnn(CC(=O)N(C)C)c1 756801455 LYFPVPLACFNWFP-UHFFFAOYSA-N 282.304 -0.466 50 20 CBGD NC(=O)C1(C(=O)NNc2ncccc2[N+](=O)[O-])CC1 759294123 IJYLKTSMKZQCNK-UHFFFAOYSA-N 265.229 -0.302 50 20 CBGD C[C@H](C(=O)NNc1ncccc1[N+](=O)[O-])S(C)(=O)=O 759302636 WVXYHNLQICSJFN-ZCFIWIBFSA-N 288.285 -0.134 50 20 CBGD COc1nccnc1NNC(=O)CN1CCCNC1=O 764465628 ZPEKHGDMNXOOIV-UHFFFAOYSA-N 280.288 -0.656 50 20 CBGD COC(=O)c1cccc(C(=O)NNC(=O)CO)c1 777782161 UWDRFHDEENIDNA-UHFFFAOYSA-N 252.226 -0.774 50 20 CBGD COC[C@@H](C)n1ccc(NC(=O)NNC(=O)CN(C)C)n1 779932932 WYVQACLJSYTWCF-SECBINFHSA-N 298.347 -0.195 50 20 CBGD O=C(NNC(=O)c1[nH]nnc1-c1ccccc1)c1cnn[nH]1 797721232 AYXNXSYAUVBRNU-UHFFFAOYSA-N 298.266 -0.335 50 20 CBGD CO[C@@H](C)CS(=O)(=O)NNC(=O)c1ccc[nH]1 800831783 HMBLDSVDXGAGGI-ZETCQYMHSA-N 261.303 -0.386 50 20 CBGD COC(=O)NNC(=O)Nc1c(C(=O)OC)cnn1C 821501991 AGUVWASYFFFBIR-UHFFFAOYSA-N 271.233 -0.401 50 20 CBGD CCOC(=O)NCCCC(=O)NN(C)[C@@H](C)CO 823946242 GEYRLZZNLOQEKA-VIFPVBQESA-N 261.322 -0.144 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H](C)N1CCSCC1 823947235 UVKFYMFHKVHKMD-VHSXEESVSA-N 261.391 -0.233 50 20 CBGD C[C@H](CO)N(C)NC(=O)CCOC1CCOCC1 823947554 ZHLFQCVLKDCICU-SNVBAGLBSA-N 260.334 -0.084 50 20 CBGD C[C@@H](CO)N(C)NC(=O)Cn1nnc(-c2ccccc2)n1 823977463 XQGMMQBUAXJJGS-JTQLQIEISA-N 290.327 -0.316 50 20 CBGD O=C(Cc1cscn1)NNC(=O)N1CCOCC1 824621557 SHENIJGGRJRKKC-UHFFFAOYSA-N 270.314 -0.241 50 20 CBGD CN(CCNC(=O)NNC(=O)[C@H]1CCCCO1)C1CC1 836350379 WFHUURGSMSJAIS-LLVKDONJSA-N 284.360 -0.020 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@]2(C)CCCCO2)CC1 839733051 HPJIRRSZDFHGIW-ZDUSSCGKSA-N 284.360 -0.066 50 20 CBGD Cc1n[nH]cc1S(=O)(=O)NNC(=O)[C@H]1CCO[C@@H]1C 842591396 COYDFVUWLDGBSA-SFYZADRCSA-N 288.329 -0.547 50 20 CBGD C=C[C@H](CO)NC(=O)NNC(=O)c1cccc(C)n1 852294003 SRHYBFZDCXTOHL-SECBINFHSA-N 264.285 -0.119 50 20 CBGD O=C(NN=Cc1cnc[nH]1)[C@@H]1CN2CCC[C@@H]2CO1 853388999 TUVHMNIYNURQDJ-MNOVXSKESA-N 263.301 -0.277 50 20 CBGD C[C@H]1[C@H](C)CCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 858696398 KQSYTHRDUFQHKD-HRDYMLBCSA-N 268.317 -0.264 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2Cc3ccc(F)cc32)N1 862460081 ZLUZGOVVRJPAQH-QWRGUYRKSA-N 291.282 -0.109 50 20 CBGD CCCC[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)OC 863879451 SVSDTPNCBJOXIF-LBPRGKRZSA-N 293.128 -0.172 50 20 CBGD CCO[C@H]1C[C@H]1C(=O)NNC(=O)COCCOC 869909327 QZJHZDGEZHDXML-BDAKNGLRSA-N 260.290 -0.778 50 20 CBGD CC(C)C(=O)NNC(=O)CN1[C@@H](C)[C@H](C)N(C)C(=O)[C@H]1C 878752974 URPHMBLKDFLSKQ-GARJFASQSA-N 298.387 -0.271 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2C[C@H]3C=C[C@H]2C3)N1 883738165 RNIKZKLDGXHLGU-XHNCKOQMSA-N 264.285 -0.734 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cc(Cn2cccn2)on1 910147009 IIAWHSCQEVKREQ-VIFPVBQESA-N 279.300 -0.123 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccc(OC)c(O)c1 1116187865 VWVLNBSCIKFGBU-UHFFFAOYSA-N 297.267 -0.596 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccsn2)N1 1118942050 BAHBPYUHQJBHFO-YFKPBYRVSA-N 254.271 -0.817 50 20 CBGD CC(C)(C(=O)NNC(=O)Cc1ccncc1)S(C)(=O)=O 1252473164 AIQGCTNIGZPCHH-UHFFFAOYSA-N 299.352 -0.405 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@H]1CCC(=O)[C@@H]1C 1256324968 RRYTUKKZENBIOB-RKDXNWHRSA-N 283.328 -0.336 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CCC[C@@H]1OC 1262635566 SUZAJKOHUHABFU-ZJUUUORDSA-N 274.317 -0.388 50 20 CBGD C#CCNCC(=O)NNc1ccccc1S(C)(=O)=O 1263084260 OCVIWDIDKYUXCS-UHFFFAOYSA-N 281.337 -0.244 50 20 CBGD CC(C)NC(=S)NNC(=O)c1ccn(C)c(=O)c1 1317805270 QYMLDURZJKVUQO-UHFFFAOYSA-N 268.342 -0.097 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1Cc2cccc(O)c2C1 1320747515 RYUSQSKWZFEOKF-MRVPVSSYSA-N 293.279 -0.637 50 20 CBGD CC(C)NC(=S)NNC(=O)Cc1cnn(C)c1 1321254379 ODVOWCSUDWCOPU-UHFFFAOYSA-N 255.347 -0.134 50 20 CBGD CN(C[C@H]1COCCO1)C(=O)NNC(=O)c1cn[nH]c1 1328803809 HMZKDYQUGJBPJR-VIFPVBQESA-N 283.288 -0.889 50 20 CBGD CO[C@@H](C)CNC(=O)NNC(=O)c1cnn(C)c1 1330576047 MKSJTVOYESODQD-ZETCQYMHSA-N 255.278 -0.601 50 20 CBGD Cc1nc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)[nH]c1C 1330645484 OEXVXNRYZRYHJY-VIFPVBQESA-N 284.341 -0.089 50 20 CBGD CN(CC(=O)NNC(=O)C1CCOCC1)C(=O)C1CC1 1330829831 LSCLDJOEMHEAKW-UHFFFAOYSA-N 283.328 -0.571 50 20 CBGD N#CC[C@@H]1CCCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 1334930606 MSSQFGFMCSCYNF-UWVGGRQHSA-N 293.327 -0.369 50 20 CBGD C[C@@H](O)CN(C)NC(=O)Cn1ncc2ccccc2c1=O 1334996658 JSEHTUXJPZNRSE-SNVBAGLBSA-N 290.323 -0.260 50 20 CBGD COc1cc2c(cc1OC)C(=NNC(=O)CCO)C(=O)N2 1339929717 SSALEGBTVDDXOT-UHFFFAOYSA-N 293.279 -0.141 50 20 CBGD CCNc1ncc(C(=O)NNC(=O)C(=O)NC2CC2)s1 1340733141 PNDPQMWXSXXZRD-UHFFFAOYSA-N 297.340 -0.386 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=S)NCC(F)(F)F)N1 1348411388 MBDOPFAIJDIPPP-SCSAIBSYSA-N 284.263 -0.677 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)C1CCC(O)CC1 1350836606 SLDRPRSUWVMEPI-UHFFFAOYSA-N 283.328 -0.693 50 20 CBGD O=C(NNC(=O)c1noc2c1COCC2)c1ncccn1 1351283426 JKAUNKMQJXHGBW-UHFFFAOYSA-N 289.251 -0.388 50 20 CBGD C[C@@H](NNC(=O)[C@@H](N)CCC(N)=O)C(F)(F)F 1573579820 WEUOWZKAZIQIJZ-UHNVWZDZSA-N 256.228 -0.849 50 20 CBGD Cc1cc(=O)c(C(=O)NNC(=O)[C@@H]2CCN2)cn1C1CC1 1579547608 KIUKVMNKNRZCKY-NSHDSACASA-N 290.323 -0.385 50 20 CBGD NC[C@@H]1[C@H](C(=O)NNC(=O)Cc2ccncc2)C1(F)F 1580326860 LSZRFLUUPPUHQS-PSASIEDQSA-N 284.266 -0.389 50 20 CBGD NC[C@H](O)C(=O)NNc1ccnc(Br)c1 1580328786 NSVJFQVHESJNFG-LURJTMIESA-N 275.106 -0.393 50 20 CBGD CC(C)(CNC(=O)NNC(=O)C(=O)O)OCC1CC1 1590726294 GWRWLEODUMLQPV-UHFFFAOYSA-N 273.289 -0.393 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C(=O)O)c(F)c1 1600441417 ARXLRBHNBZHLHI-UHFFFAOYSA-N 283.215 -0.695 50 20 CBGD O=C(O)CNC(=O)NN=Cc1c[nH]c(C(=O)O)c1 1610784259 YTAXOOWGYFHMIZ-UHFFFAOYSA-N 254.202 -0.569 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccsc1C(=O)OC 48962152 ILAANPHHUBTZMF-UHFFFAOYSA-N 293.326 -0.343 50 20 CBGD O=C(CN1C(=O)CNC1=O)NNc1c(F)cccc1F 118510378 MXVUROPEKZWZNT-UHFFFAOYSA-N 284.222 -0.040 50 20 CBGD Cc1cccc(NC(=O)C(=O)NNC(=O)CN(C)C)c1F 126443400 CNVXKWBSOCVMQY-UHFFFAOYSA-N 296.302 -0.218 50 20 CBGD Cn1cc(C(=O)NNC(=O)C[C@H]2CCCO2)cn1 172081253 GJKJSHKGSBTONE-SECBINFHSA-N 252.274 -0.250 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccnn1C 276605100 RVXJCPRTVIEFCC-UHFFFAOYSA-N 284.316 -0.030 50 20 CBGD CNS(=O)(=O)CCNC(=O)NNc1ncccc1C 276833426 WMDHTSWCSLAVCB-UHFFFAOYSA-N 287.345 -0.435 50 20 CBGD Cn1cc(C(=O)NNC(=O)C(C)(C)N2CCOCC2)cn1 283201426 MQTCVXQHYRCAES-UHFFFAOYSA-N 295.343 -0.708 50 20 CBGD COCCCNC(=O)NNS(=O)(=O)c1ccoc1 284952835 BWYNHFCIYRBFFQ-UHFFFAOYSA-N 277.302 -0.191 50 20 CBGD O=C(CCOc1ccccc1)NNC(=O)[C@@H]1CCC(=O)N1 299428558 MOOUFAYCXYFJPB-NSHDSACASA-N 291.307 -0.119 50 20 CBGD O=C(/C=C/c1cccnc1)NNC(=O)C(=O)N1CCCC1 299586900 SCRFHKBESGPWFG-AATRIKPKSA-N 288.307 -0.135 50 20 CBGD CC(C)(C)C(=O)NCC(=O)Nc1cccc(B(O)O)c1 405015155 XBPYQWONWCTSGR-UHFFFAOYSA-N 278.117 -0.533 50 20 CBGD COC(=O)NNC(=O)Cc1ccc(C(N)=O)cc1 497235363 FOTIDVKMEASJTJ-UHFFFAOYSA-N 251.242 -0.285 50 20 CBGD O=C(NCCC(=O)N1CCCC1)c1ccc(B(O)O)cc1 584925683 KYIOBJJSLFXRIB-UHFFFAOYSA-N 290.128 -0.891 50 20 CBGD O=C(NC[C@@H]1CCC[C@H](O)C1)c1ccc(B(O)O)cc1 584952289 VKKNRVXDLAYGCT-MFKMUULPSA-N 277.129 -0.353 50 20 CBGD CCC[C@](C)(CO)NC(=O)c1cccc(B(O)O)c1 584972316 TURIMJBAQVNUMS-CYBMUJFWSA-N 265.118 -0.353 50 20 CBGD C[C@@H]1OCC[C@@]1(C)NC(=O)c1cc(B(O)O)ccc1F 584972777 GXOIAZIZOOBBIZ-ISVAXAHUSA-N 281.092 -0.197 50 20 CBGD CCO[C@@H]1C[C@H]1NC(=O)c1cc(B(O)O)ccc1F 584981087 BNPCPJPGOXEOAM-GHMZBOCLSA-N 267.065 -0.587 50 20 CBGD CCC1CN(C(=O)c2cc(B(O)O)ccc2F)C1 584997366 BBGIPCVUWPBCNE-UHFFFAOYSA-N 251.066 -0.013 50 20 CBGD CCNC(=O)C1(CNCc2ccc(B(O)O)o2)CCC1 585037846 LQLRCCQUZUJRPW-UHFFFAOYSA-N 280.133 -0.645 50 20 CBGD C[S@](=O)C1(CNCc2cccc(B(O)O)c2)CC1 585042793 UTZITJALFQFJSP-SFHVURJKSA-N 267.159 -0.633 50 20 CBGD CN1CCC[C@H](CCNCc2ccc(B(O)O)o2)C1 585045553 DHPSOFVDKQWHRK-LLVKDONJSA-N 266.150 -0.219 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)cc1F)c1cnnn1C 585046252 UWPJAFKSLYSZBV-MRVPVSSYSA-N 278.096 -0.515 50 20 CBGD Cc1ccc(CCC(=O)NCC(=O)NCB(O)O)cc1 585061772 GPJZRIOBBBDVNK-UHFFFAOYSA-N 278.117 -0.828 50 20 CBGD O=C(CN1CCCNC1=O)NNc1nccnc1Cl 734260253 GIUHDFUOGYHGBO-UHFFFAOYSA-N 284.707 -0.012 50 20 CBGD CCOCC(=O)NNC(=O)NCCOC[C@@H]1CCCO1 734677077 JCGIQASGKGHVBS-JTQLQIEISA-N 289.332 -0.451 50 20 CBGD COCCN1CC[C@H](NC(=O)NNC(=O)C(C)C)C1 736667096 YJXJHMXKINDQNK-JTQLQIEISA-N 272.349 -0.307 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccc(C(=O)O)nc2)cn1 739023167 PTGFFZKTWDTVSP-UHFFFAOYSA-N 289.251 -0.412 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H](C)[C@H]1CCOC1 745862599 YOPHNUHKRYQBNW-BDAKNGLRSA-N 259.306 -0.222 50 20 CBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)C(C)(C)C 746828145 KVWWMGKIKXPMJE-ZETCQYMHSA-N 264.347 -0.139 50 20 CBGD CCOC(=O)c1cnc(C)c(C(=O)NNC(=O)CO)c1 753439866 UMKZHNJZYOERKX-UHFFFAOYSA-N 281.268 -0.680 50 20 CBGD CCN(CC)C(=O)c1ccc(C(=O)NNC(=O)CO)cc1 753444847 BQTTUFLHEGJSLK-UHFFFAOYSA-N 293.323 -0.078 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C(N)=O)c[nH]1 772166336 CHGMKHOCJSWUBB-ZCFIWIBFSA-N 296.283 -0.784 50 20 CBGD CS(=O)(=O)NCC(=NNC(=O)CO)c1ccccc1 776780812 OFGYFDOGPATLBH-UHFFFAOYSA-N 285.325 -0.952 50 20 CBGD CC(C)(C#N)CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 781953670 JYKNXQBQVVKESP-LLVKDONJSA-N 288.373 -0.083 50 20 CBGD CCOCCCC(=O)NNC(=O)N1CCN(C)CC1 788165522 CLUNNJKOJNCBFY-UHFFFAOYSA-N 272.349 -0.209 50 20 CBGD COc1cc(CC(=O)NNC(=O)CO)cc(OC)c1O 790919867 USWSHLVPIXFRDC-UHFFFAOYSA-N 284.268 -0.908 50 20 CBGD CNC(=O)[C@]1(C)CCN(CC(=O)NNC(=O)C2CC2)C1 797525383 KIQXEAHOBUKHLU-CYBMUJFWSA-N 282.344 -0.998 50 20 CBGD COCCN(C)NC(=O)Cn1nnc2ccccc2c1=O 816560943 GMWQGCQAZZCFON-UHFFFAOYSA-N 291.311 -0.599 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCCN1C(=O)C(F)(F)F 823934665 IXWVVINQZCPRPE-HTQZYQBOSA-N 297.277 -0.117 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1nc[nH]c2nccc1-2 824621039 GGQMLMAFGVHOGQ-UHFFFAOYSA-N 290.283 -0.404 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@]1(C)CCC(=O)N1 826946794 PXSQMIPARHUBMB-RWEMILLDSA-N 298.343 -0.590 50 20 CBGD CC(C)[C@@H](N)CNC(=O)NNC(=O)[C@H]1CCCCO1 841945154 YKCYSVWETNNGAH-VHSXEESVSA-N 272.349 -0.131 50 20 CBGD CNC(=S)N(C)NC(=O)CCCCN1CCOCC1 854920993 WZFZJXDVCSGWAC-UHFFFAOYSA-N 288.417 -0.044 50 20 CBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)c1ncccn1 862005509 BZYMSCJZRWXXJS-QMMMGPOBSA-N 265.273 -0.992 50 20 CBGD CNc1ccccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862452263 VBEURYOONNPJPD-JTQLQIEISA-N 276.296 -0.232 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCCN2C2CC2)N1 862458371 DRMQFYMGCXGCOC-UWVGGRQHSA-N 280.328 -0.961 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H](F)Cc2ccccc2)N1 862459952 BXWZPXQKSXAAOV-WDEREUQCSA-N 293.298 -0.007 50 20 CBGD C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)c1cn[nH]c1 862473155 GLWLMVVMIKEFME-ZETCQYMHSA-N 281.316 -0.279 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1CCN1C(C)(C)C 862994768 WUYWEEOXTVFZNX-SECBINFHSA-N 256.350 -0.432 50 20 CBGD CCC[C@H](CCO)NC(=O)c1cccc(B(O)O)c1 869870193 WHKSJSWWYAIFOA-GFCCVEGCSA-N 265.118 -0.353 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccc(C)cn1 869907772 DIINGCMJVQMWJR-UHFFFAOYSA-N 267.285 -0.186 50 20 CBGD C[C@]1(C(=O)Nn2c(O)nnc2O)C[C@@H]1Br 908371993 LIQXPEDPRPKLNT-NOWQDGDBSA-N 277.078 -0.067 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F 910183556 MKSTTZIVDLNPRC-BIIVOSGPSA-N 297.277 -0.355 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 915775765 PIICDICMVMMUTF-NXEZZACHSA-N 295.339 -0.035 50 20 CBGD CC(=O)NNC(=O)c1cnc2cc(C)ccn2c1=O 920430794 XQTWSZUCOYRWRE-UHFFFAOYSA-N 260.253 -0.216 50 20 CBGD N#C[C@@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 928233064 ZXFCRAAMNSZAMT-VIFPVBQESA-N 276.076 -0.119 50 20 CBGD Cc1csc(CC(=O)NNC(=O)CN2CC[C@@H]2CO)n1 934022775 OZDKMYXIBLNBCU-SECBINFHSA-N 298.368 -0.792 50 20 CBGD Cc1nc(C(=O)NNC(=O)C(=O)NC2CC2)ccc1C#N 1317801767 XPWJWFQLADRIHB-UHFFFAOYSA-N 287.279 -0.699 50 20 CBGD Cc1conc1NC(=O)C(=O)NNC(=O)C1CCC1 1320241442 SMTZOFSMGCGWAZ-UHFFFAOYSA-N 266.257 -0.131 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCCOC(C)C 1323433724 SEAKUKCJKYLVKO-UHFFFAOYSA-N 261.278 -0.695 50 20 CBGD O=C(CCn1ccnn1)NNC(=O)Cc1ccncc1 1324409567 MPQUMZCHGJIUJT-UHFFFAOYSA-N 274.284 -0.547 50 20 CBGD CC1(c2ncc(C(=O)NNC(=O)CO)s2)OCCO1 1331794933 FUFFFNPVLCWRDD-UHFFFAOYSA-N 287.297 -0.884 50 20 CBGD COCCOCC(=O)NNC(=O)CCc1cnn(C)c1C 1332150035 VEDUWUPVIKRDGC-UHFFFAOYSA-N 298.343 -0.528 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CSc1nncn1C 1335303230 HDOFMGQKPSOMMH-JGVFFNPUSA-N 299.356 -0.520 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CCCCN(C)C1 1335567607 JJXBYPONAZBXIY-VIFPVBQESA-N 286.332 -0.778 50 20 CBGD Cc1noc(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1 1345722930 NHFKGSRZMWWUIR-XPUUQOCRSA-N 283.288 -0.367 50 20 CBGD CCONC(=O)CNC(=O)NNC(=O)c1cccc(F)n1 1350380084 CIHGHNFNWCREIX-UHFFFAOYSA-N 299.262 -0.768 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@]12CNC[C@@H]1COC2 1579973884 FCUNTUJRJYKMEI-NOZJJQNGSA-N 278.312 -0.978 50 20 CBGD N[C@@H]1CCO[C@@H]1C(=O)NNc1ncc(F)cc1F 1580383793 DGOFZHWLGSOUMV-SFYZADRCSA-N 258.228 -0.081 50 20 CBGD O=C(CC1(O)CCOCC1)NNC(=O)[C@H]1CCCNC1 1580501456 VNIMKCDWVOOCFM-JTQLQIEISA-N 285.344 -0.935 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CO[C@@H](CCC(=O)O)C1 1603202672 QIIBWXHXBYGOOR-UTLUCORTSA-N 274.317 -0.400 50 20 CBGD O=C(O)CCCC(=O)NNC(=O)Cc1cc[nH]n1 1606136994 ZCXPBEZQWZVRCH-UHFFFAOYSA-N 254.246 -0.646 50 20 CBGD COC(=O)[C@@H]1CC[C@@H](C(=O)O)N(S(=O)(=O)CCl)C1 1606396747 QLCBRGYGENTFRQ-RQJHMYQMSA-N 299.732 -0.149 50 20 CBGD N[C@H]1CCCN(CC(=O)NNC(=O)c2ccccc2)C1 41029803 DCFKQPHQZNEQER-LBPRGKRZSA-N 276.340 -0.129 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=O)NC1CCCC1 49430894 COZMIUGPKXQNJG-UHFFFAOYSA-N 272.305 -0.042 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(C#N)[nH]1 127569804 ZGWCTGOQBSLCRM-UHFFFAOYSA-N 258.241 -0.007 50 20 CBGD O=C(CN1CC(=O)N[C@H]2CCCC[C@H]21)NNC(=O)C1CC1 132229075 GWVSHDGIEMBSNU-WDEREUQCSA-N 294.355 -0.713 50 20 CBGD O=S1(=O)C[C@H](Br)[C@H](OC2COC2)C1 165690811 ABMHVCMPENWDBI-NKWVEPMBSA-N 271.132 -0.038 50 20 CBGD CCCn1cc(C(=O)NNC(=O)N2CCOCC2)cn1 272997710 OLMOUZHFQWWCBC-UHFFFAOYSA-N 281.316 -0.020 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NNC(=O)c1ccncc1 298329882 YNYGQCBRNKTXGB-LLVKDONJSA-N 292.339 -0.189 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C(C)(C)CO 496877585 VRNNDPIWYAELTO-UHFFFAOYSA-N 289.332 -0.323 50 20 CBGD C[C@@H](CNC(=O)c1ccc(B(O)O)cc1)CN1CCCC1 584932901 ZZAOOFNZMNBWLX-LBPRGKRZSA-N 290.172 -0.172 50 20 CBGD Cc1cnn(CCCNC(=O)c2cccc(B(O)O)c2)c1 584936603 KEXDYYJXDXDJNV-UHFFFAOYSA-N 287.128 -0.309 50 20 CBGD O=C(N[C@@H]1CCCC[C@H]1CO)c1ccc(B(O)O)c(F)c1 584959939 MLVWTKZYPQZGIT-GXFFZTMASA-N 295.119 -0.214 50 20 CBGD CO[C@H]1CC[C@H](NC(=O)c2cc(B(O)O)ccc2F)C1 584980035 OCCZRBLPECHYJZ-UWVGGRQHSA-N 281.092 -0.197 50 20 CBGD C=CCN(C(=O)c1ccc(B(O)O)cc1)[C@H]1CCOC1 584981153 RXBSZJWFDNMANY-ZDUSSCGKSA-N 275.113 -0.217 50 20 CBGD COCCN1CC[C@H](CNCc2cccc(B(O)O)c2)C1 585021404 UXFJYEPIIXUZKL-CQSZACIVSA-N 292.188 -0.576 50 20 CBGD C[C@@H](NCc1cccc(B(O)O)c1)C(=O)NC(C)(C)C 585022671 VVFDNLMIUHRZFV-SNVBAGLBSA-N 278.161 -0.241 50 20 CBGD CCC(CC)(CO)CNCc1ccc(B(O)O)o1 585031778 JPWLSOCLNDCXMX-UHFFFAOYSA-N 255.123 -0.152 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCO[C@@]3(CCOC3)C2)cc1 585033833 GRESZPZJKLZDMZ-CABCVRRESA-N 291.156 -0.206 50 20 CBGD CC(=O)c1ccc(S(=O)(=O)NCB(O)O)cc1 585054000 FOVDHHPKXWYWQV-UHFFFAOYSA-N 257.076 -0.821 50 20 CBGD O=C(CN1Cc2ccccc2C1=O)N1CC[C@H](B(O)O)C1 585064714 AWJNRAIENQAUJQ-NSHDSACASA-N 288.112 -0.282 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)NCCCOC 732063590 VUFTZQJZYGAKTB-NSHDSACASA-N 282.344 -0.549 50 20 CBGD COCCCNC(=O)NNS(=O)(=O)C[C@@H]1CCCO1 735647259 XNQKKGZNVSJQMY-VIFPVBQESA-N 295.361 -0.665 50 20 CBGD CN(C)c1nccc(NNC(=O)CCS(C)(=O)=O)n1 740107471 IQSCPUOFMQZXFC-UHFFFAOYSA-N 287.345 -0.580 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(c2nc[nH]n2)CC1 751500008 BXQHIJLJWBWHJA-VIFPVBQESA-N 294.359 -0.070 50 20 CBGD Cc1ccc(C(=O)NNS(=O)(=O)c2ccnn2C)o1 753085858 NJCBXDHCGYCWTR-UHFFFAOYSA-N 284.297 -0.055 50 20 CBGD CCc1csc(-n2cc(C(=O)NNC(=O)CO)cn2)n1 753445443 JAYXGVOECNGCDT-UHFFFAOYSA-N 295.324 -0.356 50 20 CBGD O=C(NNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccnnc1 756744868 LBASYECXYKBZBV-UHFFFAOYSA-N 276.212 -0.212 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2CCC(=O)N2C)n1 771619411 HKEZKESGXGCXQB-ZETCQYMHSA-N 265.273 -0.451 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cnsn1 772032349 MZXVNHLGXXXMCY-YFKPBYRVSA-N 272.286 -0.359 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnc(C)nc1N 772190217 KLVIZKVGULPTBD-ZCFIWIBFSA-N 295.299 -0.530 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccncn1 777623466 NHDORFFJWHHOSN-UHFFFAOYSA-N 289.251 -0.739 50 20 CBGD COCCn1ccc(C(=O)NNC(=O)NCC2CC2)n1 784362942 XCUODADVKWBFGZ-UHFFFAOYSA-N 281.316 -0.117 50 20 CBGD C[C@H]1CCN(CC(=O)NNC(=O)C2CC2)[C@@H]1CO 785515157 MQQNQWCDCUKKJA-WCBMZHEXSA-N 255.318 -0.754 50 20 CBGD COCCOCCC(=O)NNC(=O)N1CCN(C)CC1 788167980 ZDEWYRRHPDNTIN-UHFFFAOYSA-N 288.348 -0.972 50 20 CBGD CC(=O)NCC(=O)OCC(=O)NNC(=O)c1cccs1 798007178 SBNOLVWHIPRQOY-UHFFFAOYSA-N 299.308 -0.812 50 20 CBGD CNS(=O)(=O)CC(=O)NCCSSC 803472756 IPSZDGJDMKQDLS-UHFFFAOYSA-N 258.390 -0.337 50 20 CBGD CN1CCN(C(=O)NNC(=O)CCOCC(F)F)CC1 807381082 BYUXCUDDZNWSMU-UHFFFAOYSA-N 294.302 -0.354 50 20 CBGD CCN(CCO)NC(=O)CNC(=O)Cc1cccc(F)c1 823852574 JUORHVGSPFQGAU-UHFFFAOYSA-N 297.330 -0.170 50 20 CBGD Cn1cncc1[C@@H]1C[C@H]1C(=O)NNC(=O)N1CCOCC1 824621045 GIWUAQGEVLQRHV-NXEZZACHSA-N 293.327 -0.403 50 20 CBGD C[C@H](CC(=O)O)C(=O)NNC(=O)c1ccccn1 827303670 HVSKMGVNEOPFDL-SSDOTTSWSA-N 251.242 -0.047 50 20 CBGD O=C(CNC(=O)N1CCCC1)NNC(=O)C1CC1 828032849 XMJOHMBKTNMBAG-UHFFFAOYSA-N 254.290 -0.651 50 20 CBGD N#Cc1ccc(NNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)cc1 830776332 GLFLPNXXAXTARO-JHJVBQTASA-N 289.291 -0.586 50 20 CBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)c1ccc(Cl)nc1 841383199 ZTIYHWYXITUOED-XNCJUZBTSA-N 298.686 -0.007 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843656361 ANHZYDAPNFEXQR-XKNYDFJKSA-N 256.302 -0.016 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=O)NCC(F)(F)F 847116659 PPTYDJUJKJUARS-RXMQYKEDSA-N 273.211 -0.460 50 20 CBGD O=C(NNC(=O)[C@H]1CCCS1(=O)=O)NC1CCCC1 847399535 LNMROTXAWZCGKJ-SECBINFHSA-N 289.357 -0.163 50 20 CBGD O=C(NNC(=O)C1(n2cnnn2)CC1)c1ccccc1F 854181476 WXASNEBGOMUYOL-UHFFFAOYSA-N 290.258 -0.238 50 20 CBGD CCO/C=C\C(=O)NNC(=O)N1CCN(C)CC1 854383045 UJPUTGHGFZZARH-WTKPLQERSA-N 256.306 -0.475 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@H]2CC(=O)N2)c(F)c1 854899517 OIOHABLZNMZEDP-SECBINFHSA-N 281.243 -0.056 50 20 CBGD O=C(CCN1CCOCC1)NNC(=O)c1cccc(F)n1 856424552 PHHRGFWKCTZQNS-UHFFFAOYSA-N 296.302 -0.296 50 20 CBGD CN(Cc1ccoc1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858695658 YOQJXZLDMMFISQ-VIFPVBQESA-N 280.284 -0.269 50 20 CBGD CC[C@H](C)OCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862458130 XVQQUVOSDYCKMJ-YUMQZZPRSA-N 257.290 -0.773 50 20 CBGD Cc1cc(=NNC(=O)[C@@H](C)NS(C)(=O)=O)cc[nH]1 862511661 XGTKADDQZPCEJA-MRVPVSSYSA-N 272.330 -0.807 50 20 CBGD CC[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)OC 863877073 RIANMZRBUBFAPY-JTQLQIEISA-N 283.064 -0.813 50 20 CBGD CC(C)(C)OC(=O)NCCNCc1ccccc1B(O)O 863891535 SCVMBPXTCJZEQV-UHFFFAOYSA-N 294.160 -0.019 50 20 CBGD Cc1cc(CC(=O)NNC(=O)COCC2CC2)n[nH]1 869012670 ACNQAPFWORGCII-UHFFFAOYSA-N 266.301 -0.165 50 20 CBGD COC(=O)[C@@H]1C[C@H](F)CN1CC(=O)NNC(=O)C(C)C 880333567 CXFRYSBGESFQCJ-IUCAKERBSA-N 289.307 -0.625 50 20 CBGD CCCNC(=O)NNC(=O)CN1CCCNC1=O 921039214 KDWDBQHJHHIEFN-UHFFFAOYSA-N 257.294 -0.858 50 20 CBGD O=C(NNC(=O)[C@@]12CCC[C@@H]1C2)C(=O)NC1CC1 929447967 BZPNXYFSEYUODW-JMCQJSRRSA-N 251.286 -0.397 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@@H](N(C)C)[C@@H]1C 931036896 JAVKVJDPJAOOKP-WDEREUQCSA-N 270.377 -0.186 50 20 CBGD O=C(NNc1nc2ccccn2n1)C1(O)CCOCC1 1116747184 IDAWJTAQPSWFSH-UHFFFAOYSA-N 277.284 -0.286 50 20 CBGD CN(C)C(=O)[C@@H]1CCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1118864704 SZTVWRLYSASGCB-MRVPVSSYSA-N 294.315 -0.826 50 20 CBGD Cn1cc(C(=O)NNC(=O)NC2CCCC2)c(O)nc1=O 1251330452 ATKCOWXYAILJFJ-UHFFFAOYSA-N 295.299 -0.628 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@]2(F)CCOC2)n[nH]1 1261878671 SAYZBACHCWEAQZ-NSHDSACASA-N 270.264 -0.463 50 20 CBGD Cc1nnc(NNC(=O)[C@@H]2CCCOC2)nc1O 1318221015 RTVNVNHUQIFVIQ-SSDOTTSWSA-N 253.262 -0.245 50 20 CBGD CCc1cc(C(=O)NNC(=O)C(C)(C)O)nn1C 1320825676 USGOHPOAWKCQAZ-UHFFFAOYSA-N 254.290 -0.486 50 20 CBGD Cn1cc(C(=O)NNC(=O)CO)c(C(F)(F)F)n1 1323784313 WDZMSMMVSSNOCQ-UHFFFAOYSA-N 266.179 -0.808 50 20 CBGD O=C(NNC(=O)C1CCN(C2CC2)CC1)C(=O)NC1CC1 1325264367 MXELDIVEQXPFDG-UHFFFAOYSA-N 294.355 -0.713 50 20 CBGD COC(=O)N(C)NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1 1330699643 ZKCIPHSJUYNGTJ-VIFPVBQESA-N 296.331 -0.089 50 20 CBGD CNC(=O)c1cccc(C(=O)NN(C)C[C@@H](C)O)n1 1332629176 FSBZSBIONHYREV-MRVPVSSYSA-N 266.301 -0.601 50 20 CBGD Cc1nnc2n1C[C@H](C(=O)NN(C)[C@H](C)CO)CC2 1336010647 JTRADFYVXWRJHO-PSASIEDQSA-N 267.333 -0.507 50 20 CBGD CCn1cc(C(=O)NNc2ccc(C(N)=O)nn2)c(C)n1 1348469121 XFWQHOAAVKZGCU-UHFFFAOYSA-N 289.299 -0.143 50 20 CBGD C[C@@]1(C(=O)NNC(=O)c2ccccc2F)C[C@@H](O)CN1 1573602140 SJNCFBMIGXTHPJ-OQPBUACISA-N 281.287 -0.300 50 20 CBGD N[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CCCCCC1 1580115136 MTUPBYPQIRSMHK-JQWIXIFHSA-N 296.371 -0.290 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(C(=O)O)o2)N1 1602637699 DBSVYEPKBMRNHP-YFKPBYRVSA-N 281.224 -0.983 50 20 CBGD O=C(O)C(=O)NN=C1C(=O)Nc2ccc(F)cc21 1608531285 XPNPGQZSKGUXKV-UHFFFAOYSA-N 251.173 -0.317 50 20 CBGD C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNC(=O)C(=O)O 1609226216 IQOUSKFPZSHQRS-JGVFFNPUSA-N 271.273 -0.617 50 20 CBGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(C)=O)cc1 48449584 QORDEGTWDGIXMP-UHFFFAOYSA-N 295.320 -0.621 50 20 CBGD CCc1nc(CC(=O)NNC(=O)C(=O)NC(C)C)cs1 48927771 VLMYXYCKYXNYMF-UHFFFAOYSA-N 298.368 -0.080 50 20 CBGD CCCCNC(=O)NNC(=O)CCN1C(=O)CCC1=O 49143804 RKGXZRPZNZOHTG-UHFFFAOYSA-N 284.316 -0.344 50 20 CBGD CN(NC(=O)Cn1c(=O)oc2ccccc21)C(N)=O 179694396 JPFLPEBWNQWBQO-UHFFFAOYSA-N 264.241 -0.364 50 20 CBGD CCc1ccc(C(=O)NNC(=O)CO)cc1[N+](=O)[O-] 180966426 QJBOYLDZQAVGFS-UHFFFAOYSA-N 267.241 -0.090 50 20 CBGD COc1nccnc1NNC(=O)C1CN(C(C)=O)C1 276677549 VUCKTVPNQDVWSU-UHFFFAOYSA-N 265.273 -0.593 50 20 CBGD Cn1cc(C(=O)NNC(=O)N2CCOCC2)c(C2CC2)n1 291475810 JVYWXVWWNFMDOF-UHFFFAOYSA-N 293.327 -0.016 50 20 CBGD CNC(=O)NCCC(=O)NNC(=O)NC1CCCCC1 292280052 HYYMJBZCUHQZDV-UHFFFAOYSA-N 285.348 -0.031 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@@H]1C[C@H](C)CC(=O)N1 293325443 RHKNYTVPLGWRTG-YUMQZZPRSA-N 256.306 -0.360 50 20 CBGD NC(=S)NNC(=O)[C@H]1CCCN(C(=O)C(F)(F)F)C1 498050589 OPRISKUUDKUHJV-YFKPBYRVSA-N 298.290 -0.348 50 20 CBGD C[C@H]1CN(C)C[C@H]1C(=O)Nc1cccc(B(O)O)c1 584912924 XTSXGLVTIURFCY-JOYOIKCWSA-N 262.118 -0.497 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)CC[S@@](=O)C1 584983847 UYAVHACVQOQORF-WVDJIFEKSA-N 295.169 -0.793 50 20 CBGD CC[C@H](C)NC(=O)CCNCc1cccc(B(O)O)c1 585020556 AUMAZMDDUYHQPM-NSHDSACASA-N 278.161 -0.239 50 20 CBGD Cn1nccc1C(=O)NNC(=O)Cc1cccnc1 728849977 FFUBIDMPFHSUGY-UHFFFAOYSA-N 259.269 -0.181 50 20 CBGD C[C@H](C(=O)NNC(=O)NCc1ccco1)n1cncn1 729920159 IFWSUWSZOGVLEY-MRVPVSSYSA-N 278.272 -0.037 50 20 CBGD C#CCCCNC(=O)NNC(=O)[C@@H](C)OCCOC 748635599 PNXQUODQWNQRKH-SNVBAGLBSA-N 271.317 -0.218 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 753440613 VUXHMNRPGAFSAV-GFCCVEGCSA-N 292.339 -0.567 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H](C)CO[C@H]1CCOC1 753949353 ZLWJLPQXSVEKHT-ZJUUUORDSA-N 289.332 -0.453 50 20 CBGD CCOc1cc(F)ccc1NC(=O)C(=O)NNC(=O)CO 764428878 MEZCZTOEALNPPU-UHFFFAOYSA-N 299.258 -0.697 50 20 CBGD CC(C)C(=O)N1CCCC[C@H]1C(=O)NNC(=O)C(C)(C)O 768260539 DYSXKEASGMDKIP-JTQLQIEISA-N 299.371 -0.058 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccnc(C)n1 772031643 KROAZLCVDCBFQY-SSDOTTSWSA-N 280.284 -0.112 50 20 CBGD C=Cn1cc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)cn1 773054599 LTVODDXYWUYBPT-QMMMGPOBSA-N 285.329 -0.629 50 20 CBGD O=C1C[C@H](C(=O)NNc2nc3ccccn3n2)CCN1 791258703 XAJVDFVXFDSJHB-MRVPVSSYSA-N 274.284 -0.301 50 20 CBGD Cc1cnn(C)c1S(=O)(=O)NNC(=O)NC(C)C 795306373 NIPHOEDGSBGCNJ-UHFFFAOYSA-N 275.334 -0.371 50 20 CBGD CN(NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(N)=O 801936477 QGFYDXZEDXXCTC-UHFFFAOYSA-N 271.208 -0.029 50 20 CBGD C[C@@H](C(=O)NNC(=O)N=c1cc[nH]cc1)N(C)C 802026863 LYPCQPFJXRNDFU-QMMMGPOBSA-N 251.290 -0.394 50 20 CBGD Cc1ccccc1NC(=O)NN=C1C(=O)NC(=O)NC1=O 814219393 XVIGXVSUWGFGDC-UHFFFAOYSA-N 289.251 -0.161 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccn(CCN(C)C)n1 823917311 HRDMXGAMVWLKSF-JTQLQIEISA-N 269.349 -0.598 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCO[C@@H](CF)C1 827258682 CMLQVYRMVMHFAA-LPEHRKFASA-N 289.307 -0.178 50 20 CBGD CO[C@@H]1COC[C@H]1NCC(=O)NNC(=O)c1cccs1 830092829 YMYMRJAFULPWFX-RKDXNWHRSA-N 299.352 -0.488 50 20 CBGD Cc1cc(C)nc(NNC(=O)Cn2cc(C(=O)O)nn2)n1 832880355 NRFXZQPAVDGSIP-UHFFFAOYSA-N 291.271 -0.474 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCN1CCOC1=O 843643730 AFRBXNDAJDLVLL-RKDXNWHRSA-N 285.300 -0.599 50 20 CBGD C=C[C@](C)(O)CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843970021 AVGJFOVIGIEBPY-PTRXPTGYSA-N 256.302 -0.114 50 20 CBGD CCOC(=O)Cn1ccc(NC(=O)NNC(=O)COC)n1 847247493 BASGLPGQMDMNBR-UHFFFAOYSA-N 299.287 -0.755 50 20 CBGD COCCN(C)NC(=O)[C@H]1CCC[C@H](C(N)=O)C1 848378101 IDOZQFXWVHBGAZ-UWVGGRQHSA-N 257.334 -0.113 50 20 CBGD CN(C)C1(C(=O)NNC(=O)N=c2cc[nH]cc2)CC1 854376947 DMZCMDIKAPKHAN-UHFFFAOYSA-N 263.301 -0.250 50 20 CBGD CCC[C@@H](OCC)C(=O)NNC(=O)C(=O)N1CCCC1 858935361 JTXZBHSEXSPOQS-SNVBAGLBSA-N 285.344 -0.039 50 20 CBGD C[C@@H](NNC(=O)CN1CCOCC1)C(F)(F)F 862315213 ARILFTAORQEHIJ-SSDOTTSWSA-N 255.240 -0.110 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)ns1 862459034 LSWDRBUMGPBQOP-ZCFIWIBFSA-N 268.298 -0.509 50 20 CBGD C[C@@H]1CN(C(=O)OC(C)(C)C)CC1=NNC(=O)C(N)=O 863065939 OUALFSFRNXPZHB-SSDOTTSWSA-N 284.316 -0.169 50 20 CBGD CCOC(=O)N1CCC[C@H](C(=O)N2CC[C@H](B(O)O)C2)C1 864232725 BMZFVHUZPXOUBX-QWRGUYRKSA-N 298.148 -0.070 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@H]2CCCN2C)n[nH]1 869012375 OOWIOHKJOAIPJP-JTQLQIEISA-N 265.317 -0.498 50 20 CBGD COCCOCC(=O)NNC(=O)/C=C/c1ccc[nH]1 869908058 VOSDSYYWOJJQPN-SNAWJCMRSA-N 267.285 -0.162 50 20 CBGD C[C@@H](O)CN(C)NC(=O)C(C)(C)S(=O)(=O)C1CC1 910154920 GXKAMBILSCZOAU-MRVPVSSYSA-N 278.374 -0.314 50 20 CBGD Cc1ncc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1C 911505864 XLXRPCZUXKYMAT-CBAPKCEASA-N 266.301 -0.085 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)n1cccn1 912994283 BQCOYINGCIXMNC-QMMMGPOBSA-N 267.289 -0.884 50 20 CBGD C=CCC(F)(F)C(=O)NNC(=O)CN1CCCC1=O 913732799 JHSIZLGDTUPFGK-UHFFFAOYSA-N 275.255 -0.032 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 920858573 IOJAZDUTMLYSTD-CPCISQLKSA-N 286.357 -0.209 50 20 CBGD O=C(NNC(=O)C1(O)CCOCC1)c1ccncc1 1116664372 HXCBFYRFYRUUQT-UHFFFAOYSA-N 265.269 -0.616 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccon1 1118182430 CDQKNNVGBGEYAW-APPZFPTMSA-N 268.273 -0.070 50 20 CBGD CCc1cc(C(=O)NNC(=O)COCCOC)nn1C 1118980344 DOQULTXWSJLIGZ-UHFFFAOYSA-N 284.316 -0.594 50 20 CBGD CC(C)n1ccnc1C=NNC(=O)CS(C)(=O)=O 1261833427 XUCVEKLTOKJPCJ-UHFFFAOYSA-N 272.330 -0.041 50 20 CBGD C[C@H](C#N)CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 1320093088 PQNXUNBNSZBWAN-PSASIEDQSA-N 274.346 -0.473 50 20 CBGD COc1cc(NC(=O)C(=O)NNC(=O)C2CCC2)ncn1 1320240471 AKIMQSSKFSAPRS-UHFFFAOYSA-N 293.283 -0.629 50 20 CBGD Cc1cc(=O)n(C)cc1NC(=O)NNC(=O)CCO 1320279845 LTNSOMQPNJPDJI-UHFFFAOYSA-N 268.273 -0.771 50 20 CBGD CCC[C@@H](CCCS(C)(=O)=O)C(=O)NNC(=O)CO 1320991002 RUOSBEAIZVRDPI-VIFPVBQESA-N 294.373 -0.633 50 20 CBGD Nc1cnnc(NNC(=O)C[C@H]2COCCN2)c1Cl 1326612454 VRWZZKUBSHCFAW-LURJTMIESA-N 286.723 -0.466 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCC(F)(F)F)N1 1331299042 ZXMYIWUBETZEGP-YFKPBYRVSA-N 282.222 -0.452 50 20 CBGD O=C1COc2ccc(C(=O)N3CC[C@H](B(O)O)C3)cc2N1 1331825371 AQFMEKRBBQCWHS-VIFPVBQESA-N 290.084 -0.294 50 20 CBGD CCNC(=O)N(C)NC(=O)c1nc2ncccn2n1 1347752464 SMTLISLHKBCHSU-UHFFFAOYSA-N 263.261 -0.570 50 20 CBGD COC1CCC(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 1348385835 APLPHCQZMHTGEB-RTBKNWGFSA-N 283.328 -0.382 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNC(=O)c1ccc(Cl)nc1 1574106184 UBSBWLAMVSHHKC-ZETCQYMHSA-N 287.659 -0.404 50 20 CBGD C=CCCC[C@H](N)C(=O)NNC(=O)[C@H]1COCCO1 1574908397 MMXQPBUUIAQRQG-VHSXEESVSA-N 271.317 -0.767 50 20 CBGD C[C@]1(C(=O)NNC(=O)Cc2ccccc2O)C[C@H](O)CN1 1576350438 OOYHVNNFMHFQGW-IINYFYTJSA-N 293.323 -0.805 50 20 CBGD NC[C@@H]1[C@H](C(=O)NNc2ncnc3[nH]cnc23)C1(F)F 1580326805 DLXZWTVNRVKXFJ-RFZPGFLSSA-N 283.242 -0.364 50 20 CBGD CCC(=O)NNC(=O)Nc1cccc(-c2nn[nH]n2)n1 1590366034 UGEWBNBNBYMNSN-UHFFFAOYSA-N 276.260 -0.176 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccc(C(=O)O)cn1 1592762523 SUBRDBWPOLOBLI-ZETCQYMHSA-N 253.258 -0.263 50 20 CBGD Cc1oc(C=NNC(=O)CS(C)(=O)=O)cc1C(=O)O 1600837936 HUTVGTCYVXQWMI-UHFFFAOYSA-N 288.281 -0.219 50 20 CBGD CC(C)[C@@H](C(=O)O)C(=O)NNc1nccn(C)c1=O 1602969564 ALWPQOPJEUXURL-SSDOTTSWSA-N 268.273 -0.420 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H]1CC[C@H]1C(=O)O 1604958728 HZCLFIBLNQOLID-RNFRBKRXSA-N 291.398 -0.045 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)Cc2ccc(F)cc2)C1 81229627 OSFRLGNGYIEQOY-GFCCVEGCSA-N 295.314 -0.154 50 20 CBGD CN(CCn1cccn1)CC(=O)NNC(=O)C1CC1 112981926 COAMNVVDBOFZSJ-UHFFFAOYSA-N 265.317 -0.628 50 20 CBGD CN(C)C(=O)CNC(=O)C(=O)NNc1cccc(F)c1 120808431 NAYVMOIVWLZQJL-UHFFFAOYSA-N 282.275 -0.527 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cccc2c1oc(=O)n2C 124364021 KJCVQLKZDXMJDO-UHFFFAOYSA-N 292.295 -0.546 50 20 CBGD C[C@H](NS(=O)(=O)CBr)C(=O)N(C)C 127025430 XAXNMFFHMPQMRW-YFKPBYRVSA-N 273.152 -0.265 50 20 CBGD CS(=O)(=O)N1CCC[C@@H]1CNC=C(C#N)C#N 133484432 LSYVKRZUNRAFDM-SNVBAGLBSA-N 254.315 -0.069 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CC1(O)CCCCC1 190048919 GJKDDCXSWOWAJG-UHFFFAOYSA-N 258.318 -0.010 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CCCN1C(C)=O 273008183 PLXLGSLTXSBUNC-SECBINFHSA-N 256.306 -0.310 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2csnn2)O1 293770732 ASBRHKVGUKWVKR-FSPLSTOPSA-N 256.287 -0.133 50 20 CBGD CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)CNC(=O)c1ccco1 299707578 YBLMYNVXSRMKAI-WCBMZHEXSA-N 295.295 -0.418 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(C)nc1O 495326624 OGLADTDXXJRJHG-UHFFFAOYSA-N 282.256 -0.189 50 20 CBGD COC(=O)N(C)NS(=O)(=O)CCOC(C)C 495947055 OEHKDAPWTOYPJX-UHFFFAOYSA-N 254.308 -0.056 50 20 CBGD CCC(CC)C(=O)NCC(=O)Nc1cccc(B(O)O)c1 584911868 AIBPTCRSDHLXHM-UHFFFAOYSA-N 292.144 -0.143 50 20 CBGD C[C@@H](O)[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584972545 ZVHOJHFMXXUNFO-MWLCHTKSSA-N 263.102 -0.791 50 20 CBGD CC(C)N1CCC[C@@H](NC(=O)c2cccc(B(O)O)c2)C1 584977210 KQVOTAWOZIWJDL-CQSZACIVSA-N 290.172 -0.031 50 20 CBGD O=C(N[C@H](CO)CC(F)F)c1ccc(B(O)O)cc1 584982421 KJNVHTXHUJSTAE-VIFPVBQESA-N 273.044 -0.888 50 20 CBGD C[C@@H]1[C@H](N(C)C)CCN1C(=O)c1cc(B(O)O)ccc1F 584992889 PWGLDOLPMRTCNQ-NOZJJQNGSA-N 294.135 -0.330 50 20 CBGD OC[C@@H](CNCc1cccc(B(O)O)c1)C1CCC1 585040513 MBXHWQQKQSBJHY-CYBMUJFWSA-N 263.146 -0.135 50 20 CBGD COCCOc1ccc(C(=O)NCB(O)O)cc1 585060213 OAADGZADBIECRW-UHFFFAOYSA-N 253.063 -0.546 50 20 CBGD Cc1cc(C(=O)NCB(O)O)c(C)n1-c1cnn(C)c1 585062396 IAUKETYIXVFWFN-UHFFFAOYSA-N 276.105 -0.431 50 20 CBGD CC(C)NC(=O)CNC(=S)NNC(=O)C1CC1 727269881 AQRBRYCPSCLAAW-UHFFFAOYSA-N 258.347 -0.584 50 20 CBGD CC(C)CC(=O)NNS(=O)(=O)c1ccnn1C 727350846 BSUNXIBEFPCEJZ-UHFFFAOYSA-N 260.319 -0.224 50 20 CBGD CC(C)CNC(=S)NNC(=O)[C@@H]1CCS(=O)(=O)C1 730595885 AKILUPLDDQSODZ-MRVPVSSYSA-N 293.414 -0.428 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)c2ccc(Cl)nc2)CC1 731610302 GLNHQNQHWINDEE-UHFFFAOYSA-N 282.687 -0.239 50 20 CBGD COc1cccc(COCC(=O)NNC(=O)CN(C)C)c1 733359207 HJHSSIREMLPTOS-UHFFFAOYSA-N 295.339 -0.079 50 20 CBGD COCCOc1ncccc1C(=O)NNC(=O)CN(C)C 733359673 XMNVJNLIFRTATF-UHFFFAOYSA-N 296.327 -0.571 50 20 CBGD O=C(CN1CCC(C(=O)O)CC1)NNC(=O)C1CC1 738460234 LSXFFSRJIIDPFW-UHFFFAOYSA-N 269.301 -0.660 50 20 CBGD Nc1cc(N)nc(SCC(=O)NNC(=O)C2CC2)n1 742447773 IUZDWQUJOBZULB-UHFFFAOYSA-N 282.329 -0.710 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN(CCO)CC1CC1 744403330 XGNLUYGJOXTFSH-UHFFFAOYSA-N 271.361 -0.116 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)c1cccnc1 746812920 JVTYVUHTNFJAOM-MRVPVSSYSA-N 285.325 -0.477 50 20 CBGD CCc1c(C(=O)NNC(=O)Cc2cc[nH]n2)cnn1C 755267805 BUGWNZGYAPPHME-UHFFFAOYSA-N 276.300 -0.291 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCOC[C@@H]1C#N 756879988 DUBQAJLXWNJNNO-VIFPVBQESA-N 268.317 -0.596 50 20 CBGD CCC[C@H](C)CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758047097 VMSADBLDJCWFIB-DTWKUNHWSA-N 293.389 -0.102 50 20 CBGD CCC[C@](C)(O)C(=O)NNC(=O)NCCCOC 770895925 YHRCHNVZQUYSBQ-NSHDSACASA-N 261.322 -0.096 50 20 CBGD CCO[C@H]1C[C@H]1C(=O)NNC(=O)N1CCN(C)CC1 773675360 ZKXXXMMCTHDKPJ-ZJUUUORDSA-N 270.333 -0.600 50 20 CBGD O=C(NCC(=O)N1CCOCC1)NNc1ccccn1 776337480 SSDYQZSQQOUTMR-UHFFFAOYSA-N 279.300 -0.434 50 20 CBGD CC(=O)N1C[C@H](C(=O)NN(C)C(N)=O)Oc2ccccc21 778415740 PDOLFQYMSAVQDG-LLVKDONJSA-N 292.295 -0.158 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)c1nc[nH]n1 781421358 QAKLBHOFYONJKI-UHFFFAOYSA-N 275.268 -0.183 50 20 CBGD C[C@@H]1COC(=O)C1=NNC(=O)Cc1cc(O)nc(S)n1 794889397 SLGYZWYNQALDGJ-RXMQYKEDSA-N 296.308 -0.322 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)N(CC)C[C@H](C)C#N 800112041 YOFFLUMGGBDTBI-SECBINFHSA-N 291.377 -0.121 50 20 CBGD CC[C@H](C(=O)NNC(=O)N=c1cc[nH]cc1)N(C)C 802025029 PDQVLMQSRVZTEZ-SNVBAGLBSA-N 265.317 -0.004 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCCN2C)CC1 807382218 BRZQPVHHAGCRMM-JTQLQIEISA-N 269.349 -0.931 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@](C)(O)C1CCC1 813378550 RNQWIQDECOVHOJ-GFCCVEGCSA-N 271.317 -0.791 50 20 CBGD COCCOCC(=O)NNC(=O)CN(C)CC(C)(C)C 825136307 ILUCANGFVCXYRG-UHFFFAOYSA-N 289.376 -0.225 50 20 CBGD CCCNC(=O)CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 825558561 MZLPSYVCWJRCLY-BDAKNGLRSA-N 286.332 -0.732 50 20 CBGD COC(=O)C1(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1 826542138 JFUJKFOXQAKRJW-BDAKNGLRSA-N 299.327 -0.305 50 20 CBGD COC(=O)[C@]1(C)CCCN1CC(=O)NNC(=O)C(C)C 828983103 HEVWBKMVOXSWLT-ZDUSSCGKSA-N 285.344 -0.183 50 20 CBGD CCS(=O)(=O)N(C)CCCNS(=O)(=O)CCl 829979719 JMHOVISVWFMMTE-UHFFFAOYSA-N 292.810 -0.226 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)CC1 839732967 FRMJNBRNJSEFDZ-AXFHLTTASA-N 294.355 -0.410 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccn(C)c(=O)c1 843639943 AFFJFHNFQNTVFR-WCBMZHEXSA-N 279.296 -0.429 50 20 CBGD CCCN(C)CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843976202 WCHGTGGFODMXDS-VHSXEESVSA-N 257.334 -0.099 50 20 CBGD CN(C)S(=O)(=O)NCC(=O)NNc1ncccc1F 854415221 DOKNJDGNBDDHQW-UHFFFAOYSA-N 291.308 -0.940 50 20 CBGD CCCN1CC[C@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858620698 ZIJFFOANELCHOE-UWVGGRQHSA-N 297.359 -0.920 50 20 CBGD CCOCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 860614344 JVRJJUUORDKZRS-VIFPVBQESA-N 264.347 -0.485 50 20 CBGD CN(CC(=O)NNC(=O)c1cn[nH]c1)C(=O)C1CC1 862471713 LJOAUHVYHHGMKV-UHFFFAOYSA-N 265.273 -0.961 50 20 CBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cn(C)nc1C 863145303 MBVCVJYJYBGCPW-JTQLQIEISA-N 263.301 -0.153 50 20 CBGD CC(C)(C)S(=O)(=O)CCNCc1ccc(B(O)O)cc1 863887973 BLZKQQPPSWWTMT-UHFFFAOYSA-N 299.201 -0.331 50 20 CBGD CC[C@@]1(C(=O)NNC(=O)c2cccn2C)CCNC1=O 864593708 HEGFCRHQHOLTFM-CYBMUJFWSA-N 278.312 -0.298 50 20 CBGD COc1c(C(=O)NN(C)C[C@H](C)O)c(C)nn1C 910169473 ZEDYTEIHPUPHDI-ZETCQYMHSA-N 256.306 -0.305 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCCCC[C@H]1CO 911948368 VXBUGADUCITDEA-ZDUSSCGKSA-N 277.129 -0.257 50 20 CBGD CO[C@H](C)CC(=O)NNC(=O)CN1CCCC1=O 913730704 FVOSRDGYAWUNGE-MRVPVSSYSA-N 257.290 -0.819 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 919879141 HXYLKTBDHORMAE-SSDOTTSWSA-N 256.306 -0.406 50 20 CBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccn(C)c1=O 1116597840 QMFMNZBJKSNXEY-MRVPVSSYSA-N 294.311 -0.483 50 20 CBGD Cc1n[nH]cc1CNC(=O)NNC(=O)c1cnn(C)c1 1116611675 NKCNFHHVOSHRQI-UHFFFAOYSA-N 277.288 -0.404 50 20 CBGD Cc1nnc(CC(=O)NNC(=O)N=c2cc[nH]cc2)o1 1117710761 CCUDROIZKPBNTO-UHFFFAOYSA-N 276.256 -0.410 50 20 CBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=S)NC(C)(C)C 1123482343 LSZSMRFOKIQUAZ-VHSXEESVSA-N 299.444 -0.332 50 20 CBGD O=C(C[C@@H]1CCS(=O)(=O)C1)NN=c1cc[nH]cc1 1254382307 DEBJAIQYOHZSDR-VIFPVBQESA-N 269.326 -0.229 50 20 CBGD C[C@H]1C[C@H](C(=O)NNC(=O)C2CCOCC2)CO1 1262031215 KOCVEUKUIMABFU-WPRPVWTQSA-N 256.302 -0.015 50 20 CBGD CC(=O)NCC(=O)NNC(=O)Cc1cn2ccccc2n1 1319050445 ASSWNMTYWYXYTR-UHFFFAOYSA-N 289.295 -0.840 50 20 CBGD C[C@H](O)c1cn(CC(=O)NNc2ncc(F)cn2)nn1 1319575864 CPRCUMDSZCIEIS-LURJTMIESA-N 281.251 -0.596 50 20 CBGD COc1cc(NC(=O)C(=O)NNC(=O)CC(C)C)ncn1 1321140272 KDVJVKMNYLEANB-UHFFFAOYSA-N 295.299 -0.383 50 20 CBGD NC(=O)c1ccc(NNC(=O)c2ccn(C(F)F)n2)nn1 1323475516 GPZQPCATPNXZIR-UHFFFAOYSA-N 297.225 -0.076 50 20 CBGD O=C(CO)NNC(=O)c1nnc(O)c2ccccc12 1324630524 SRXVZRSDKNSQTJ-UHFFFAOYSA-N 262.225 -0.911 50 20 CBGD COCC(=O)NCCC(=O)NNC(=O)c1cccc(F)n1 1331295576 YYWWZZKODPEEAV-UHFFFAOYSA-N 298.274 -0.866 50 20 CBGD C[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)c1cnn(C)c1 1332892597 KJPQYOOJMYHUKU-QMMMGPOBSA-N 276.300 -0.217 50 20 CBGD CN(NC(=O)c1cn(C)nc1-c1cnn(C)c1)C(N)=O 1343166670 YCRKZHILKVBOJO-UHFFFAOYSA-N 277.288 -0.524 50 20 CBGD COC(=O)C(=O)NNC(=O)NC1CCC(C)(O)CC1 1350838941 XKNORBSLKGBLNI-UHFFFAOYSA-N 273.289 -0.817 50 20 CBGD COCCn1cc(C(=O)NN=c2cc[nH]cc2)nn1 1351246144 UWIJXHXIZAYALM-UHFFFAOYSA-N 262.273 -0.502 50 20 CBGD Cc1cc(=NNC(=O)[C@@]2(C)C[C@H](O)CN2)cc[nH]1 1574144027 IPQGJROTELADQY-CMPLNLGQSA-N 250.302 -0.632 50 20 CBGD Cc1cc(C(=O)NNc2nc[nH]n2)ncc1-c1nn[nH]n1 1580871316 JADWJGWQYPCYGX-UHFFFAOYSA-N 286.259 -0.555 50 20 CBGD CC(=O)NCC(=O)NNc1ccc(CC(=O)O)cc1 1589127604 BOOIQCYIUGWGNW-UHFFFAOYSA-N 265.269 -0.107 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNC(=S)Nc1ccccn1 1593912044 WEWJOUQRWATOOF-ZETCQYMHSA-N 284.297 -0.501 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1C[C@H]1C(=O)O 1594646441 XPVWYLFHBDXDMO-VGRMVHKJSA-N 256.258 -0.721 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@@H](C)CC(=O)O 1599227207 PKVFXZAZTSWEQX-QMMMGPOBSA-N 291.373 -0.029 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@H]1CC(C(=O)O)=NO1 1605669617 LZNSXNVJUMXXMI-SCSAIBSYSA-N 283.162 -0.684 50 20 CBGD C[C@H]1CN(S(=O)(=O)CCl)C[C@@H](C(=O)O)O1 1607478660 WWENYNBWKRPWQP-WDSKDSINSA-N 257.695 -0.314 50 20 CBGD N#Cc1csc(C=NNC(=O)NCC(=O)O)n1 1608222125 LKGXVRIEMXZISS-UHFFFAOYSA-N 253.243 -0.268 50 20 CBGD O=C(NNC(=S)NCCCN1CCOCC1)C1CC1 23744958 VCRWHSYJZMHXJS-UHFFFAOYSA-N 286.401 -0.386 50 20 CBGD O=C(Cc1ccc(F)cc1)NNC(=O)c1n[nH]c(O)n1 48725256 YCRWZZVBPWSUMB-UHFFFAOYSA-N 279.231 -0.347 50 20 CBGD O=C(CN1CC[C@H](CO)C1)NNC(=O)c1ccccc1 51887394 DDCSJIHGCSBQLQ-NSHDSACASA-N 277.324 -0.238 50 20 CBGD Cc1cccc(NC(=O)C(=O)NNC(=O)CN(C)C)c1C 126432856 LLELGFCHJLZNOE-UHFFFAOYSA-N 292.339 -0.049 50 20 CBGD CC[C@H](C(=O)NNC(=O)CN(C)C)N1CCCC1=O 175945062 BVOIWEXMUZHUTH-SECBINFHSA-N 270.333 -0.904 50 20 CBGD O=C1C[C@@H](NS(=O)(=O)CBr)CN1 232227966 UGJHQEMOKBOPHK-SCSAIBSYSA-N 257.109 -0.853 50 20 CBGD CCNC(=O)NC1(C(=O)NN(C)C(N)=O)CCCC1 272138034 CZWKZTSSIGBMKR-UHFFFAOYSA-N 271.321 -0.340 50 20 CBGD COCC(C)(C)CNC(=O)NNC(=O)C(=O)NC1CC1 291752372 KJZNXMRTASTDBV-UHFFFAOYSA-N 286.332 -0.732 50 20 CBGD CN1CCC(O)(CNS(=O)(=O)CCCCl)CC1 397523550 WNUOLMLLAGRCHR-UHFFFAOYSA-N 284.809 -0.009 50 20 CBGD CN(C)C(=O)CCCC(=O)Nc1cccc(B(O)O)c1 584913182 QKHFBXBUBFRTIB-UHFFFAOYSA-N 278.117 -0.437 50 20 CBGD CC[C@@H](C)[C@H](O)CNC(=O)c1cc(B(O)O)ccc1F 584959728 KVIBQNVOVKZDNX-PRHODGIISA-N 283.108 -0.358 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]([C@@H]2CCOC2)C1 584965092 LHNAZQOILSZUFM-QWHCGFSZSA-N 289.140 -0.135 50 20 CBGD Cn1ccnc1[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584967565 WTPPLKPBJGJZFR-GFCCVEGCSA-N 299.139 -0.270 50 20 CBGD CC(C)N(C)C[C@@H](C)NC(=O)c1cccc(B(O)O)c1 584991233 WPZUTJJPBIBXRU-LLVKDONJSA-N 278.161 -0.175 50 20 CBGD C[C@@H]1[C@H](N(C)C)CCN1C(=O)c1cccc(B(O)O)c1 584993148 UCSQXRWSUAESDD-ZWNOBZJWSA-N 276.145 -0.469 50 20 CBGD C[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@]1(C)CO 585009126 PXULOCNZHZRJDP-LKFCYVNXSA-N 295.119 -0.404 50 20 CBGD CC[C@@H](C)[C@@H](CO)NCc1cccc(B(O)O)c1 585025289 QGMRYPUNAWZINA-ZWNOBZJWSA-N 251.135 -0.137 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)cc1F)[C@H]1CN(C)CCO1 585029158 WHVSJOPRCBBNLT-QMTHXVAHSA-N 296.151 -0.686 50 20 CBGD CN(C)c1cccc(CNCc2ccc(B(O)O)o2)n1 585029975 MYCOEQYQNHBZOK-UHFFFAOYSA-N 275.117 -0.290 50 20 CBGD C[C@H]1CCN(CCNCc2ccc(B(O)O)cc2F)C1 585034490 PVMXZZTYEAMODJ-NSHDSACASA-N 280.152 -0.063 50 20 CBGD C[C@]1(CNCc2ccccc2B(O)O)CCC(=O)N1 585044837 VWOWPQJWRSYWLM-CYBMUJFWSA-N 262.118 -0.875 50 20 CBGD OB(O)c1ccc(CNCc2ncc3c(n2)CCOC3)o1 585045274 GYZJJMTWHDHXGB-UHFFFAOYSA-N 289.100 -0.888 50 20 CBGD O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCB(O)O 585061245 TXFSJALZIQXPGQ-UHFFFAOYSA-N 298.491 -0.234 50 20 CBGD O=C(NCB(O)O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 585062378 HOKZHMRXNIFSTE-ZETCQYMHSA-N 298.054 -0.554 50 20 CBGD Cn1cc(C(=O)NCB(O)O)c(-c2cccs2)n1 585062527 IUVYGIDKGGFOMX-UHFFFAOYSA-N 265.103 -0.110 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccco1 728437109 MDZTWEPYAPXNEY-SSDOTTSWSA-N 259.287 -0.333 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@@H](C)N1CCN(C)CC1 732913121 UYQSIGUHAFAIFY-SNVBAGLBSA-N 271.365 -0.639 50 20 CBGD Cn1cc(C(=O)NNc2ccc(F)cc2)c(=O)n(C)c1=O 735031335 BGHZKQHCAAXHBT-UHFFFAOYSA-N 292.270 -0.020 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccc(C(N)=O)s2)cn1 735444742 TUZZECWPMRQASE-UHFFFAOYSA-N 293.308 -0.345 50 20 CBGD C[C@H]1C(=O)NCCN1CC(=O)NNC(=O)C(C)(C)C 744396888 VLDGQJMVQWXGKN-QMMMGPOBSA-N 270.333 -1.000 50 20 CBGD Cn1cc(CC(=O)NNC(=O)c2ccccn2)cn1 751282440 MCBJLCZAKVDPDE-UHFFFAOYSA-N 259.269 -0.181 50 20 CBGD CNC(=O)NNC(=O)c1ccccc1-n1ccnn1 751459704 FTXXOCQQLMXVNO-UHFFFAOYSA-N 260.257 -0.159 50 20 CBGD CCc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1 764420467 BSJJYETZSWDLSN-UHFFFAOYSA-N 265.269 -0.673 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1CCC(=O)N1 764483479 BGJTYKOSGFOSFR-LURJTMIESA-N 251.246 -0.793 50 20 CBGD CC(C)C(=O)NNC(=O)NCCn1cc([N+](=O)[O-])cn1 768522261 NWYUHQVVXXSGHV-UHFFFAOYSA-N 284.276 -0.222 50 20 CBGD C[C@H]1CCN(CC(=O)NNC(=O)C2CC2)[C@H](C(N)=O)C1 778296004 STYCQAUROTYILH-WPRPVWTQSA-N 282.344 -0.870 50 20 CBGD C[C@H](NC(=O)CN1CC=C(C#N)CC1)C(=O)N(C)C 779587408 NBRCLTACLRBQQD-JTQLQIEISA-N 264.329 -0.265 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CCCN1S(C)(=O)=O 780708298 FCMLEEZCDGLHNT-MRVPVSSYSA-N 292.361 -0.897 50 20 CBGD COC[C@](C)(O)C(=O)NNc1nc2ccccn2n1 791248668 OVMNZQRCBYOTRA-NSHDSACASA-N 265.273 -0.430 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1ncccn1 802024784 VVGFQTGUJUFINJ-UHFFFAOYSA-N 258.241 -0.240 50 20 CBGD CCOC(=O)[C@@H](C)[C@@H](C)NCC(=O)NNC(=O)C(C)C 828846179 ASFHUJSKADXYCM-VHSXEESVSA-N 287.360 -0.033 50 20 CBGD C[C@H](N)C[C@@H](C)NC(=O)NNC(=O)C(=O)N1CCCC1 831203085 QPSSFNSSKHDEMU-DTWKUNHWSA-N 285.348 -0.935 50 20 CBGD CCN1C[C@@H](NC(=O)NNC(=O)CC(C)C)CC1=O 836611393 PTROKRHNHZPAHD-VIFPVBQESA-N 270.333 -0.016 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)COCc1ccnn1C 843653695 FNQCIOMNFWTGFS-GXSJLCMTSA-N 296.327 -0.491 50 20 CBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)N1)c1ccccc1 845070699 PYFYOSOMTWSFIV-SECBINFHSA-N 283.309 -0.861 50 20 CBGD COC(=O)Cc1ccc(NNC(=O)CNC(C)=O)cc1 846375949 RKQSEJVKZFCZFT-UHFFFAOYSA-N 279.296 -0.019 50 20 CBGD COC(=O)CNC(=O)NNC(=S)NCC1CC1 849261860 SIGDELNODVMFKB-UHFFFAOYSA-N 260.319 -0.752 50 20 CBGD O=C(NNC(=O)[C@H](O)C1CC1)[C@H]1COc2ccccc2O1 854180567 MZFQYFNZGIPODR-VXGBXAGGSA-N 292.291 -0.255 50 20 CBGD CNC(=S)N(C)NC(=O)CS(=O)(=O)C(C)C 854925417 GAMXBJLUMLMQAK-UHFFFAOYSA-N 267.376 -0.723 50 20 CBGD COC(=O)COCC(=O)NNC(=S)NCC1CCC1 855090134 QFIUJGVXCUSMKH-UHFFFAOYSA-N 289.357 -0.529 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2CCOC(=O)N2)n1 859795930 KUYZZFVCQZHBFE-SSDOTTSWSA-N 281.272 -0.265 50 20 CBGD COc1cccc(NC(=O)C(=O)NNC(=O)CO)c1C 861805514 CYIREGVXDHFQSO-UHFFFAOYSA-N 281.268 -0.918 50 20 CBGD CN(NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)C1CC1 862038113 UVORFSJHDGIOJX-VIFPVBQESA-N 277.328 -0.102 50 20 CBGD CNC(=O)NCCC(=O)NN[C@@H](C)C(F)(F)F 862321216 SKBLUJCYZNXFCO-YFKPBYRVSA-N 256.228 -0.123 50 20 CBGD COC(=O)[C@H]1CCCC(=NNC(=O)CS(C)(=O)=O)C1 863185926 HXJNCVGLXVRZDK-QMMMGPOBSA-N 290.341 -0.134 50 20 CBGD O=C1CC[C@H](C(=O)NNS(=O)(=O)c2ccsc2)N1 863412256 AXBDSSDTTSRDJT-SSDOTTSWSA-N 289.338 -0.664 50 20 CBGD CN(CC(=O)NNC(=O)c1cn[nH]c1)C1CCC1 863934371 DLPWGXZGIIBPQR-UHFFFAOYSA-N 251.290 -0.345 50 20 CBGD Cc1cc(C)n(CCC(=O)N2CC[C@H](B(O)O)C2)n1 864230968 HOIIPJOESRITQZ-NSHDSACASA-N 265.122 -0.035 50 20 CBGD OC[C@@H](C[C@@H]1CCCO1)NCc1ccccc1B(O)O 895749541 SKEWXBZXLXFVHW-OLZOCXBDSA-N 279.145 -0.614 50 20 CBGD CCN1CCC[C@@H](NCc2cccc(B(O)O)c2)C1=O 896729465 PKNXMWHKDFLBGA-CYBMUJFWSA-N 276.145 -0.533 50 20 CBGD CCOC(=O)[C@@H]1CCCN(CC(=O)NNC(=O)NC)C1 900352754 KFPNCYPPCHNSBL-SECBINFHSA-N 286.332 -0.778 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cncc(-n2ccnn2)c1 910156264 LBGFDRMTXOMMRO-SECBINFHSA-N 276.300 -0.380 50 20 CBGD Cc1ccoc1CC(=O)NNC(=O)CN1CCCC1=O 913733574 NKIKWQZBTXIGMJ-UHFFFAOYSA-N 279.296 -0.100 50 20 CBGD COc1ccc(C(=O)NNC(C)=O)cc1OCCO 918688684 OFYXCOYZWFAGST-UHFFFAOYSA-N 268.269 -0.153 50 20 CBGD C[C@H]1COC[C@@H]1NCC(=O)NNC(=O)C(C)(C)C 932490154 VBAKNSUNRRGQTM-IUCAKERBSA-N 257.334 -0.196 50 20 CBGD COCCn1cc(C(=O)NN(C)C(N)=O)ccc1=O 1319989276 NRCOEZZFTCDAFL-UHFFFAOYSA-N 268.273 -0.850 50 20 CBGD CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1nccn1C 1322999815 SNQSFNRCEYEPMC-VIFPVBQESA-N 284.341 -0.305 50 20 CBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C1=CCCCO1 1323391608 SJIXHNBSIPRSHH-QMMMGPOBSA-N 288.325 -0.737 50 20 CBGD COc1cc(C(=O)NNc2ncnc3[nH]cnc23)nn1C 1325804547 XCIHCDBEPXFTER-UHFFFAOYSA-N 288.271 -0.148 50 20 CBGD COCCOCC(=O)NNC(=O)c1c(C)nn(C)c1C 1329978800 VNVKZXJGARLMEU-UHFFFAOYSA-N 284.316 -0.539 50 20 CBGD COCCOc1ncccc1C(=O)NNc1cnnn1C 1330422765 DOLKSNSCJTZQLX-UHFFFAOYSA-N 292.299 -0.008 50 20 CBGD Cc1cc(CN)cc(NC(=O)C(=O)NNC(=O)C2CC2)c1 1331951857 WXYBPELERWGNOI-UHFFFAOYSA-N 290.323 -0.050 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](C)c1cccc(O)c1 1339039179 CXQXPGQVKLLIKL-SSDOTTSWSA-N 281.268 -0.043 50 20 CBGD N#Cc1ncn(CC(=O)NNc2ncc(F)cn2)n1 1341291176 LLJCTIPIVDSSGV-UHFFFAOYSA-N 262.208 -0.778 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(C#N)o1 1343846711 AMRQXAQOBIHPJN-UHFFFAOYSA-N 264.241 -0.563 50 20 CBGD COC1CCC(C(=O)NNC(=O)CS(C)(=O)=O)CC1 1351666474 KYZWAPKOMZUHQL-UHFFFAOYSA-N 292.357 -0.616 50 20 CBGD Cn1ccnc1[C@@H]1OCCC[C@@H]1C=NNC(=O)CO 1552449967 RQCWKZOJBKLFHK-MWLCHTKSSA-N 266.301 -0.018 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H](N)CC(F)F 1579016707 PBTNUMJLCVNWNY-LURJTMIESA-N 268.264 -0.664 50 20 CBGD COCc1cncc(C(=O)NNC(=O)[C@H]2CCN2)c1 1579095262 OWQHSLRJFJSADZ-SNVBAGLBSA-N 264.285 -0.649 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)C1CCOCC1)C(=O)O 1589055859 DNAZITASSFILLB-ZETCQYMHSA-N 273.289 -0.536 50 20 CBGD Cn1ncc(Cl)c1C=NNC(=O)NCC(=O)O 1601027103 BRMNKGRVQUWOTG-UHFFFAOYSA-N 259.653 -0.209 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1603699409 JMEFWHGDASHRRC-LURJTMIESA-N 265.277 -0.848 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)Cn2cc(C(=O)O)cn2)O1 1607463660 OPINWZNCZCTRHM-CBAPKCEASA-N 296.283 -0.704 50 20 CBGD C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793112271 BFQCTYLOGFXHIK-LMLFDSFASA-N 284.743 -0.143 50 20 CBGD Cc1nn(C)c2ncc(C(=O)NNC(=O)CN(C)C)cc12 113425585 UWSCYAYEWXHFNP-UHFFFAOYSA-N 290.327 -0.401 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)c1ccncc1 270488304 KEVQEEJNERHVMR-ZETCQYMHSA-N 266.257 -0.413 50 20 CBGD O=C(CO)NNC(=O)c1ccc2c(c1)OCCO2 270769427 PPLJOHZVFDOOPU-UHFFFAOYSA-N 252.226 -0.789 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)O)C(=O)OC(C)(C)C 276315226 VRUGUJVRLNLYLY-UHFFFAOYSA-N 289.332 -0.228 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)N1CCC(C)CC1 278345951 GCEOFMPYHXVWFG-UHFFFAOYSA-N 270.333 -0.063 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1ncccc1F 286125508 XBAXPWPNFXCYOS-LURJTMIESA-N 276.293 -0.399 50 20 CBGD CN(C)S(=O)(=O)CCC(=O)NNc1cccc(F)n1 286689306 XLZSDGJRLCXPHR-UHFFFAOYSA-N 290.320 -0.055 50 20 CBGD C[C@H](C[S@@](C)=O)N(C)Cc1ccccc1B(O)O 399911232 ATROJABJMNYXSC-MLCYQJTMSA-N 269.175 -0.435 50 20 CBGD C[C@@H](C[S@@](C)=O)N(C)Cc1ccc(B(O)O)cc1F 399941991 OBNZTFABERZNED-ZRNGKTOUSA-N 287.165 -0.296 50 20 CBGD COC(=O)NCCCC(=O)NNC(=O)Cc1cccnc1 490687106 DETBUUFMOQXDEO-UHFFFAOYSA-N 294.311 -0.092 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCC(O)(C(=O)OC)CC1 491138855 ZYSAJYYBNHTGJE-MDZDMXLPSA-N 282.296 -0.043 50 20 CBGD CN1CCC(=NNC(=O)CNC(=O)OC(C)(C)C)C1=O 496967533 ILESGNNXJLNFJZ-UHFFFAOYSA-N 284.316 -0.155 50 20 CBGD C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1cccc(B(O)O)c1 584911347 UTYLTAAHKMGJEX-GWCFXTLKSA-N 293.128 -0.111 50 20 CBGD CCC[C@@](C)(O)C(=O)Nc1cccc(B(O)O)c1 584913576 ZIARJAOYQMHUMC-GFCCVEGCSA-N 251.091 -0.144 50 20 CBGD CCN1CCCC[C@@H]1CNC(=O)c1ccc(B(O)O)cc1 584946188 PAWCLVRGUBJIJN-CQSZACIVSA-N 290.172 -0.029 50 20 CBGD C[C@@H](CNC(=O)c1cccc(B(O)O)c1)c1nncn1C 584978810 DHAFURQDXRVRCV-VIFPVBQESA-N 288.116 -0.972 50 20 CBGD COC[C@@H]1[C@H]2CN(C(=O)c3cccc(B(O)O)c3)C[C@H]21 584987615 WWRDNMNARUTOAW-ITGUQSILSA-N 275.113 -0.669 50 20 CBGD C[C@@](CO)(CCF)NC(=O)c1ccc(B(O)O)c(F)c1 585010485 LTDFYBRPBWKWMA-LBPRGKRZSA-N 287.071 -0.654 50 20 CBGD Cc1noc(CCCNCc2ccc(B(O)O)cc2F)n1 585023248 FOCSYCTUCLSVDX-UHFFFAOYSA-N 293.107 -0.081 50 20 CBGD C[C@@H](CC[S@](C)=O)NCc1ccc(B(O)O)o1 585030481 GFBJYANGCFKLES-QPFGOUBPSA-N 259.136 -0.794 50 20 CBGD CCO[C@@H]1C[C@H](NCc2ccc(B(O)O)cc2)[C@H]1OC 585035819 YZEYYTQLHNYMPQ-BFHYXJOUSA-N 279.145 -0.352 50 20 CBGD OB(O)c1ccc(CN2CCc3n[nH]cc3C2)c(F)c1 585050015 OJDRUDBJUCDWHU-UHFFFAOYSA-N 275.092 -0.213 50 20 CBGD CCCC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](B(O)O)C1 585072203 JTLBGIXOLCCXRB-QWRGUYRKSA-N 282.149 -0.147 50 20 CBGD C[C@@H]1CN(CCNC(=O)NNC(=O)c2ccc[nH]2)CCO1 726253436 BNBBKFAKTBMWDE-SNVBAGLBSA-N 295.343 -0.321 50 20 CBGD CN1N=C(C(=O)NNC(=O)C2CCC2)CCC1=O 732143873 ILCJNEUBFFSNLL-UHFFFAOYSA-N 252.274 -0.458 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)[C@@H]1C[C@@H]1C(=O)O 739401398 AXLGBDXFYPEOTM-DMTCNVIQSA-N 269.179 -0.400 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)c2c[nH]nc2C)CC1 746235423 VYWVKEGMWTYPTM-UHFFFAOYSA-N 280.284 -0.178 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H](C)CCOC 748628388 VBLPEPMSLRNGRF-UWVGGRQHSA-N 291.348 -0.207 50 20 CBGD Cc1occc1C(=O)NCC(=O)NN(C)C(N)=O 770533055 KMTMGDFIHJDNSI-UHFFFAOYSA-N 254.246 -0.640 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCCCN1C 772141541 GKKWLRQIJKAEEO-UWVGGRQHSA-N 285.344 -0.040 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1cc(C)[nH]n1 772188523 QBDOOZCIZJCPET-QMMMGPOBSA-N 282.300 -0.250 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1coc(C(N)=O)c1 772319117 SVSFUZGJZJLDMR-LURJTMIESA-N 297.267 -0.519 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1ccnc(C)n1 776492902 AQSHMDWVONSAMJ-MRVPVSSYSA-N 297.315 -0.011 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2)C(=O)NC1CC1 783617111 ZNWPBDAXUARWFT-NRPADANISA-N 265.313 -0.151 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CO[C@H](C)C1 784150389 OREXSXKJBDBKCJ-BDAKNGLRSA-N 285.344 -0.136 50 20 CBGD CCNC(=O)N(C)NC(=O)Nc1cccc(C(N)=O)n1 785859873 CYMYVVHXJQQDBJ-UHFFFAOYSA-N 280.288 -0.122 50 20 CBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)CCCCCl 788046634 KUGAJECZCULJIZ-UHFFFAOYSA-N 299.780 -0.519 50 20 CBGD Cn1[nH]cnc1=NC(=O)NNc1nc2ccccn2n1 792337957 NLGFDSKWCHWRAY-UHFFFAOYSA-N 273.260 -0.572 50 20 CBGD CC(C[C@H]1CCC(=O)N1)=NNC(=O)C(=O)N1CCCC1 811639901 JUGXDUCIVXGCTO-SNVBAGLBSA-N 280.328 -0.230 50 20 CBGD O=C(C[C@H]1CCCC(=O)N1)NNC(=O)N=c1cc[nH]cc1 813573669 GESBCIOQLITJKE-SNVBAGLBSA-N 291.311 -0.285 50 20 CBGD NC(=O)[C@H]1CC[C@@H](CNC(=O)NNc2ncncc2F)O1 814312790 NFSAVSJOBMFOSH-POYBYMJQSA-N 298.278 -0.725 50 20 CBGD COC(=O)CNC(=O)NN=C1CC(CC(=O)OC)C1 819812126 JVFALHJMMCRPPJ-UHFFFAOYSA-N 271.273 -0.212 50 20 CBGD CN1CCCC[C@@H](C(=O)NNC(=O)c2cnn(C)c2)C1=O 820082788 KISRCURQPAORLD-JTQLQIEISA-N 293.327 -0.560 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H]1CCCCN(C)C1=O 822838570 ZLCKUWIMMWCOOJ-QMMMGPOBSA-N 257.290 -0.026 50 20 CBGD CCN(CCO)NC(=O)CCCN1C(=O)CCC1=O 823847288 UYQGUDLAVKORHW-UHFFFAOYSA-N 271.317 -0.739 50 20 CBGD Cc1cc(C(=O)NN(C)[C@H](C)CO)ccc1-n1cnnn1 823976952 LONVIIYXGRIGKH-SNVBAGLBSA-N 290.327 -0.072 50 20 CBGD O=C(O)c1ccc(O)c(C=NNC(=O)[C@H]2COCCO2)c1 833322041 UISYBSUJUMWDHO-LLVKDONJSA-N 294.263 -0.044 50 20 CBGD Cn1nccc1[C@H](NS(=O)(=O)CCl)C(=O)O 843304643 NUDDIBQEANTFIA-LURJTMIESA-N 267.694 -0.339 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)n(C)n1 843647342 SQZXBARAFJWEFC-IUCAKERBSA-N 266.301 -0.085 50 20 CBGD C[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)N1CCN(C)CC1 854379030 MAELCCHUWXWRQO-RYUDHWBXSA-N 297.403 -0.153 50 20 CBGD O=C(NNC(=O)c1cnc2n1CCC2)c1ccnnc1 854968902 PXYNQKXNGUXSLZ-UHFFFAOYSA-N 272.268 -0.306 50 20 CBGD COCCOCC(=O)NNC(=S)N[C@@H](C)C1CC1 855100671 GVKVQLKMLLDQJB-QMMMGPOBSA-N 275.374 -0.057 50 20 CBGD COC[C@H]1CCCN1C(=O)NNC(=O)c1ncccn1 858546044 MVFSXNJEXLNACU-SECBINFHSA-N 279.300 -0.058 50 20 CBGD O=C(CN1CCc2nc[nH]c2C1)NNC(=O)C1CC1 859308677 ZJBQTKOJTBROIM-UHFFFAOYSA-N 263.301 -0.675 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cn(C2CC2)nn1 861206036 PGMMAZFCCVZHFW-UHFFFAOYSA-N 253.262 -0.855 50 20 CBGD O=C(NC[C@H]1COCCN1)NNC(=O)c1ccccc1 861679582 ALWDGGMENTVYPX-NSHDSACASA-N 278.312 -0.381 50 20 CBGD Cc1cccnc1C=NNC(=O)CS(C)(=O)=O 863186757 KNBYXYGGDGBROQ-UHFFFAOYSA-N 255.299 -0.115 50 20 CBGD C#CCCN(CCOC)C(=O)c1ccc(B(O)O)cc1 863885971 RVMBSSHSQJFLAK-UHFFFAOYSA-N 275.113 -0.522 50 20 CBGD C=CCN(CC(=O)OCC)C(=O)c1ccc(B(O)O)cc1 866990307 SSDKVLATAPUKTE-UHFFFAOYSA-N 291.112 -0.442 50 20 CBGD CCCS(=O)(=O)CC(=O)NN(C)C[C@@H](C)O 910166962 AELXYMDGPFPHLJ-MRVPVSSYSA-N 252.336 -0.845 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 910174112 QIZPDNLXJPVDCS-QWRGUYRKSA-N 295.339 -0.028 50 20 CBGD Cc1cc(C(=O)NNC(=O)CN2CCCC2=O)n(C)n1 920432942 KXVNTKGVZJVGSQ-UHFFFAOYSA-N 279.300 -0.888 50 20 CBGD Cc1nnc(NNC(=O)[C@@H](C)OC[C@@H]2CCCO2)nc1O 921074630 VEJLRLKPIVPCJN-BDAKNGLRSA-N 297.315 -0.087 50 20 CBGD Cn1cc(C(=O)NNC(=O)C[C@H]2CCOC2)cn1 1255765302 TZJSLQPBDURKIG-MRVPVSSYSA-N 252.274 -0.392 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCC[C@@H]1CCO 1320503713 HPGRXYRMPUDLMX-HTQZYQBOSA-N 273.289 -0.959 50 20 CBGD CC(=O)CSCC(=O)NNC(=O)c1cnn(C)c1 1320908668 RODDUGYITNAJOF-UHFFFAOYSA-N 270.314 -0.497 50 20 CBGD COC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccccn1 1320937973 NLPFHBSGNNJXTH-UHFFFAOYSA-N 294.311 -0.017 50 20 CBGD CC(=O)CCC(=O)NNc1nc(O)c2cnn(C)c2n1 1321240155 SJPRMPFCOPDYGE-UHFFFAOYSA-N 278.272 -0.119 50 20 CBGD Cn1c(C(=O)NNC(=O)Cc2cc[nH]n2)cccc1=O 1325321465 QKEJWZKHTMVLBD-UHFFFAOYSA-N 275.268 -0.888 50 20 CBGD C[C@]1(C(=O)NNC(=O)C(=O)Nc2ccccn2)CCOC1 1337765417 DZRMSQVLDVNKSM-ZDUSSCGKSA-N 292.295 -0.406 50 20 CBGD COC(=O)N1CCC(C(=O)NNC(=O)N(C)C)CC1 1350611715 CBVCWONXNRQWPO-UHFFFAOYSA-N 272.305 -0.233 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1[C@@H](CN)C1(F)F 1576902762 CNFXOFBPIXDVQH-RULNZFCNSA-N 277.271 -0.601 50 20 CBGD C=C(CCC(=O)O)C(=O)NNC(=O)[C@H]1CCCO1 1588630692 XNIYUCRIRZSPEZ-MRVPVSSYSA-N 256.258 -0.266 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CC[C@@H](CCC(=O)O)O1 1592763060 ZSLKWVODGMPVFY-KXUCPTDWSA-N 274.317 -0.257 50 20 CBGD O=C(NNC(=O)[C@H]1CCCO1)N[C@H]1C[C@@H](C(=O)O)C1 1594782468 AIFODHICOILXIW-GJMOJQLCSA-N 271.273 -0.641 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(C(=O)O)on2)O1 1599906882 RDLWWTLNJLMAAT-FSPLSTOPSA-N 283.240 -0.299 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(C(=O)O)cn1 1605709642 SSOQTXWPAFWHLC-UHFFFAOYSA-N 289.251 -0.493 50 20 CBGD CC1(C)[C@H](NC(=O)NNC(=O)C(=O)O)[C@H]2CCO[C@H]21 1609813388 CZSLUTCXJVYBFO-FSDSQADBSA-N 271.273 -0.785 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=O)c1cccn1C 61527390 IQOCMOPBABHVSM-SSDOTTSWSA-N 252.274 -0.689 50 20 CBGD CN1C(=O)C[C@@H](NS(=O)(=O)CBr)C1=O 127516184 MXYDSYJVFYAZBS-SCSAIBSYSA-N 285.119 -0.985 50 20 CBGD Cc1c(C(=O)NNC(=O)CO)cnn1C(C)(C)C 182743649 GFIALDSOUFQVLJ-UHFFFAOYSA-N 254.290 -0.300 50 20 CBGD CC(=O)N1CC(C(=O)NNc2ncnc3nc[nH]c23)C1 188390864 BPELFGKYQCSEDW-UHFFFAOYSA-N 275.272 -0.726 50 20 CBGD CC1=C(C(=O)NNC(=O)N(C)C)[C@H](C)n2ncnc2N1C 195151012 ZFFRXAXDXIRAAG-QMMMGPOBSA-N 293.331 -0.135 50 20 CBGD Cn1/c(=N\NC(=O)[C@H](N)CC(N)=O)sc2ccccc21 269633141 PSYQBKRZKRQIIA-RDDGZYNASA-N 293.352 -0.626 50 20 CBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CO 273311367 VSENQAKTATVNAT-LURJTMIESA-N 261.278 -0.961 50 20 CBGD CCCS(=O)(=O)CC(=O)NNC(=O)c1cccc(C)n1 279861294 UZYOBKBNZHUQOL-UHFFFAOYSA-N 299.352 -0.024 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CN2CCOCC2=O)s1 280334303 ZLFNVTVSMKTORG-UHFFFAOYSA-N 297.336 -0.324 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@H]2NCCO[C@@H]2C)n1 284441058 BOAQRHLOCWRNDT-ZJUUUORDSA-N 265.317 -0.087 50 20 CBGD CCc1c(C(=O)NNC(=O)C(=O)N2CCCC2)ccn1C 290604275 PEHPQBVINCIVPX-UHFFFAOYSA-N 292.339 -0.029 50 20 CBGD COC(=O)N[C@H](C(=O)NNC(=O)[C@@H]1CCCO1)C(C)C 292078793 FLYZBTKQQARPLA-IUCAKERBSA-N 287.316 -0.307 50 20 CBGD CC[C@@H](C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)C(=O)OC 293952282 QETGWIPPKVZQNY-CIUDSAMLSA-N 272.301 -0.100 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)C[C@H]1CCCO1 299701071 VFSRIVGKDZOFHL-SECBINFHSA-N 295.295 -0.274 50 20 CBGD N#C[C@@H]1COCCN1S(=O)(=O)CBr 306467473 LHIGQNAKJNCCCA-ZCFIWIBFSA-N 269.120 -0.107 50 20 CBGD CCNC(=O)NCCNS(=O)(=O)CCCCl 309378773 RIIAQXCMYOHGRD-UHFFFAOYSA-N 271.770 -0.146 50 20 CBGD CO[C@@]1(C)CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584997739 ITADYHDQNYGSPG-ZDUSSCGKSA-N 281.092 -0.244 50 20 CBGD C[C@@H]1C[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 585001168 SGSIWJGMDOLRPW-KCJUWKMLSA-N 285.112 0.465 50 20 CBGD OB(O)c1cccc(CNCCCCn2cnnc2)c1 585027303 QDEMZYDMKPHSII-UHFFFAOYSA-N 274.133 -0.472 50 20 CBGD OB(O)c1ccc(CNC2CCN([C@@H]3CCOC3)CC2)o1 585049927 MFNLXBYYJLBUCJ-GFCCVEGCSA-N 294.160 -0.698 50 20 CBGD CCn1cc(S(=O)(=O)NNC(=O)C(C)C)cn1 727350875 CGOATLAOHAZJLE-UHFFFAOYSA-N 260.319 -0.132 50 20 CBGD CC(C)(C)C(=O)NNC(=S)NCCS(C)(=O)=O 729153977 NOTFEKGEIAWXOS-UHFFFAOYSA-N 281.403 -0.428 50 20 CBGD O=C(CSc1nnc(O)nc1O)NN=Cc1ccc[nH]1 730556474 MKBHWHNSYNHMAC-UHFFFAOYSA-N 294.296 -0.147 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](CN(C)C)C1 733995832 GJEGANJLBLPJSW-MNOVXSKESA-N 270.377 -0.184 50 20 CBGD CCN(CC)C(=O)CNC(=O)NNc1cccnn1 736380007 MWFTWHILGONJKB-UHFFFAOYSA-N 266.305 -0.029 50 20 CBGD CC(=O)OC1CCN(CC(=O)NNC(=O)C2CC2)CC1 753185569 YJMNHPPXCDQSJJ-UHFFFAOYSA-N 283.328 -0.429 50 20 CBGD CC(C)C(=O)NNC(=O)Cn1cc(C2CC2)nn1 760283547 UJPCGCQYGCLLEY-UHFFFAOYSA-N 251.290 -0.041 50 20 CBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)NC(C)C 761151345 ZTDJAQYNPQDAPO-UHFFFAOYSA-N 294.377 -0.555 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@]2(O)CCSC2)cn1 765820566 OEPCRECCCHNRRS-JTQLQIEISA-N 270.314 -0.951 50 20 CBGD CCO[C@@H](C)C(=O)O[C@H](C)C(=O)NNC(=O)CC 772010859 PLEKPFSKOSXTCM-SFYZADRCSA-N 260.290 -0.100 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@H](CO)C1 772777158 MPGXMUOBLKCSQR-VIFPVBQESA-N 257.334 -0.506 50 20 CBGD CN1CCN(C(=O)NNC(=O)CC[C@@H]2CCOC2)CC1 773672742 ILHDGYUVQOQXMF-LLVKDONJSA-N 284.360 -0.209 50 20 CBGD O=C1CC[C@@]2(C(=O)NNc3cnccn3)SCCN12 775281275 QFMRZTCOXAJYQX-NSHDSACASA-N 279.325 -0.015 50 20 CBGD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NNC(=O)C1CCC1 779516246 CMSMOQJNXXEHHR-XCBNKYQSSA-N 283.328 -0.791 50 20 CBGD O=C(CN1C[C@H]2C[C@@]2(CO)C1)NNC(=O)c1ccccc1 782633311 NYVVCHWOIIAWQH-DOMZBBRYSA-N 289.335 -0.238 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)C(=O)NCC2CC2)cc1 788500638 DVAKHINGGLRPIA-UHFFFAOYSA-N 286.291 -0.155 50 20 CBGD Cc1nc2ccc(C(=O)NNC(=O)CO)cc2n1C 795239122 PZZUTKVPQLFTSE-UHFFFAOYSA-N 262.269 -0.365 50 20 CBGD O=C(NNc1cccc(F)n1)C1=NN(CCO)C(=O)CC1 804766389 GOCMKLZJOWQXTM-UHFFFAOYSA-N 295.274 -0.366 50 20 CBGD O=C(O)CCNC(=O)NNc1ccc(-n2cccn2)nn1 819492645 WDKLFYBMMSMKAW-UHFFFAOYSA-N 291.271 -0.237 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 823946327 HIGIOFRTNWGWMC-IUCAKERBSA-N 295.405 -0.706 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)N1 845093424 ACRFGCBHCVJHLM-SNVBAGLBSA-N 297.336 -0.552 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)C[C@H]1COCCO1 852497641 ZCCMROVLIQAPPQ-UWVGGRQHSA-N 273.333 -0.721 50 20 CBGD C#CCCN(CCOC)CC(=O)NNC(=O)C(C)C 852748928 LQACAZHRFOJZKR-UHFFFAOYSA-N 269.345 -0.239 50 20 CBGD CNC(=S)N(C)NC(=O)CCCCc1cnn[nH]1 854923098 ZGXLDLXGSVDJRW-UHFFFAOYSA-N 270.362 -0.015 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O 857168951 DPQXVRVBLLEOAH-ZJUUUORDSA-N 283.328 -0.693 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCCC3(CC3)C2)N1 858699684 WLMOXDIBKWQVRY-VIFPVBQESA-N 280.328 -0.118 50 20 CBGD CN(C[C@@H]1CC1(C)C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858702353 IINPVDLJFHOYQW-IUCAKERBSA-N 282.344 -0.016 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2ccon2)N1 860862862 JODNKRHLQOVTGJ-YFKPBYRVSA-N 253.218 -0.894 50 20 CBGD Cc1cc(=NNC(=O)CN2CCCNC2=O)cc[nH]1 862510769 SLMGSAZLHFHJGY-UHFFFAOYSA-N 263.301 -0.330 50 20 CBGD CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862992711 HCFVFTALMZNZKX-DTWKUNHWSA-N 282.344 -0.715 50 20 CBGD COC(C)(C)CC=NNC(=O)CS(C)(=O)=O 863186845 NRUIJWVHKSJUOK-UHFFFAOYSA-N 250.320 -0.052 50 20 CBGD COC(C)(C)C(=O)COc1ccc(B(O)O)cc1 863865236 AFRRTESSDOMPNS-UHFFFAOYSA-N 252.075 -0.261 50 20 CBGD CC(C)(C)CNC(=O)COc1ccc(B(O)O)cc1 863867215 WNPJKGBJKRENJR-UHFFFAOYSA-N 265.118 -0.093 50 20 CBGD CC[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C(OC)OC 863880842 GYSOPOIQJMLMSR-LLVKDONJSA-N 299.107 -0.367 50 20 CBGD O=C(/C=C/CN1CCOCC1)NNc1ccncn1 868646736 WVUYHRZXAXKSQE-OWOJBTEDSA-N 263.301 -0.192 50 20 CBGD CO[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CCO1 878970274 MHVCKGUOCLUONE-SNVBAGLBSA-N 273.333 -0.515 50 20 CBGD CCN(CC)S(=O)(=O)CC(=O)NN(C)C[C@@H](C)O 910166910 DYVDDTWGAKAGHC-SECBINFHSA-N 281.378 -0.998 50 20 CBGD C[C@H]1CCCCN1NC(=O)c1cccc(B(O)O)c1 912160097 RFFGKKKISXTVNH-JTQLQIEISA-N 262.118 -0.114 50 20 CBGD NC(=O)COc1cccc(C(=O)NNC(=O)C2CC2)c1 912986326 GZQBMZHNEYHZSM-UHFFFAOYSA-N 277.280 -0.278 50 20 CBGD C[C@@H]1CCO[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 913733426 IXJMDQZLIDJGSF-KCJUWKMLSA-N 269.301 -0.819 50 20 CBGD C[C@H](Sc1nncn1C)C(=O)NNC(=O)C1CC1 1115894587 WGNQKXIGQHSYGX-LURJTMIESA-N 269.330 -0.147 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)OC 1116604687 UJGDKBSOCDBYEZ-UHFFFAOYSA-N 298.255 -0.565 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H]1CN(C)CCO1 1252381648 BYZQKLJAXKOGOO-MRVPVSSYSA-N 260.363 -0.779 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCCN2CCC[C@@H]2C1 1261848287 UOEYQHYDVIYZJP-CQSZACIVSA-N 288.156 -0.323 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)OC2 1317902383 RKMLSSGYAPTFKU-UHFFFAOYSA-N 270.266 -0.314 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2CCCOC2)nc1O 1318221022 RTVNVNHUQIFVIQ-ZETCQYMHSA-N 253.262 -0.245 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCC(S(N)(=O)=O)CC1 1324383134 QRGKZDNCVLEWNP-CMDGGOBGSA-N 287.341 -0.290 50 20 CBGD C[C@H]1C[C@H](NC(=O)NNC(=O)c2cn[nH]c2)CCN1C 1329735955 QPFWWWYJEADBKW-WCBMZHEXSA-N 280.332 -0.164 50 20 CBGD Cn1cc(C=O)cc1C(=O)N1CC[C@@H](B(O)O)C1 1330311912 FXNQHCYQELKMBJ-SECBINFHSA-N 250.063 -0.474 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)cn1 1336360615 YIIAJKXSPMOROI-GARJFASQSA-N 294.311 -0.767 50 20 CBGD CCc1nnc(O)c(C(=O)NN(C)C(N)=O)c1CC 1337548593 DZCYPKPDFSRMKM-UHFFFAOYSA-N 267.289 -0.038 50 20 CBGD CCNC(=O)N(C)NC(=O)C[C@@]1(O)CCCNC1 1341719580 SCTQCOFYNJHOLQ-NSHDSACASA-N 258.322 -0.817 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@H]1CCC[C@@H]1CCO 1343128853 GCDUXDRFOILCFF-SCZZXKLOSA-N 298.343 -0.854 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)c1cnn(CCO)c1 1345535978 HGVKMOCMOAYBDP-UHFFFAOYSA-N 285.373 -0.217 50 20 CBGD Cc1noc(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1 1345722722 NHFKGSRZMWWUIR-HTRCEHHLSA-N 283.288 -0.367 50 20 CBGD Cn1nncc1NNC(=O)[C@H]1CCC[C@H](C(N)=O)C1 1351217369 QQLXQVUQZAFRAN-YUMQZZPRSA-N 266.305 -0.450 50 20 CBGD NCCCCCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1580293004 IXHVAOGZIQRVKD-VIFPVBQESA-N 270.333 -0.678 50 20 CBGD COCC(=O)NNC(=O)Nc1cccc(OCC(=O)O)c1 1599143505 UWLCMHGNPCWCFR-UHFFFAOYSA-N 297.267 -0.051 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)c1cc(C(=O)O)no1 1601462077 ZSRIPLDYARYCPJ-UHFFFAOYSA-N 296.161 -0.121 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1603904748 UFFNRIPYAPAJTN-RQJHMYQMSA-N 275.330 -0.478 50 20 CBGD COC[C@@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)O 1606804492 AKKGJLZZJFILMA-KSXVILFYSA-N 278.268 -0.457 50 20 CBGD CC[C@H](C(=O)O)C(=O)NNC(=O)Cn1nc(C)cc1C 1609886904 WNBZBRRTRCXZPR-VIFPVBQESA-N 282.300 -0.242 50 20 CBGD Cc1ccc(O)c(C=NNC(=O)NCC(=O)O)n1 1610509744 PVDMPLVRLBHFJR-UHFFFAOYSA-N 252.230 -0.187 50 20 CBGD CS(=O)(=O)CC(=O)NN=Cc1sccc1C(=O)O 1776097055 GIVNNLXEBUTWGD-UHFFFAOYSA-N 290.322 -0.059 50 20 CBGD CS(=O)(=O)CC(=O)NN=Cc1c[nH]c(C(=O)O)c1 1776097147 NKCQKJHBUWCGFS-UHFFFAOYSA-N 273.270 -0.792 50 20 CBGD CN(CCC(=O)O)CC(=O)NNC(=O)c1cccs1 37933209 JOPMCVGNZWLDSR-UHFFFAOYSA-N 285.325 -0.084 50 20 CBGD CCNC(=O)CN1CCN(S(=O)(=O)CCl)CC1 111001316 MLRAWIOUHZMPBL-UHFFFAOYSA-N 283.781 -0.734 50 20 CBGD CC(C)(O)[C@@H]1CCCN1CC(=O)NNC(=O)C1CC1 119169659 ZZEZBOPCXYDMBW-JTQLQIEISA-N 269.345 -0.221 50 20 CBGD COC[C@H](CCO)NS(=O)(=O)CBr 227982507 BMCOLIXEJXPQOZ-LURJTMIESA-N 276.152 -0.344 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2COCCO2)n1 266977740 YIOWZHPLPVTAPI-QMMMGPOBSA-N 268.273 -0.348 50 20 CBGD CNS(=O)(=O)c1cccc(C(=O)NNC(=O)OC)c1 490635499 GJCWAKRRXZAMMY-UHFFFAOYSA-N 287.297 -0.405 50 20 CBGD COC(=O)NNS(=O)(=O)c1ccc2c(c1)OCO2 494435503 RMDQKVUEYVVCDR-UHFFFAOYSA-N 274.254 -0.035 50 20 CBGD COC(=O)N[C@@H](CC(C)C)C(=O)NN(C)C(N)=O 496989516 BQZCOFUUWYXXGS-ZETCQYMHSA-N 260.294 -0.201 50 20 CBGD CC(C)(CCCO)CNC(=O)c1ccc(B(O)O)cc1 584970727 RZVSGXCRZWXXRU-UHFFFAOYSA-N 279.145 -0.105 50 20 CBGD O=C(NC(CF)CF)c1cc(B(O)O)ccc1F 584995016 GZUQFABYJDOIJH-UHFFFAOYSA-N 261.008 -0.457 50 20 CBGD COC[C@H](C)CNCc1ccc(B(O)O)cc1F 585019529 NMYFWHGKEDSOPE-SECBINFHSA-N 255.098 -0.122 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1)c1ncn(C)n1 585037238 UVJFGTOPWFUEPN-VIFPVBQESA-N 260.106 -0.654 50 20 CBGD O=C1CC[C@H](NCc2ccccc2B(O)O)C2(CCC2)N1 585042135 JKXKBJBXWVJXDK-ZDUSSCGKSA-N 288.156 -0.343 50 20 CBGD OB(O)c1ccc(CN[C@H]2C[C@H]3CCCCN3C2)o1 585046859 WQVDWQNQPQXHGW-WDEREUQCSA-N 264.134 -0.324 50 20 CBGD COc1ccc(COCC(=O)NCB(O)O)cc1 585061924 MSVHEOVSAAPKEF-UHFFFAOYSA-N 253.063 -0.660 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 726614237 VAKHTMXVKIWATB-UHFFFAOYSA-N 294.267 -0.120 50 20 CBGD CCNC(=O)NNC(=S)NCC(=O)NC(C)C 727278389 FJTIHQPMFIHCAQ-UHFFFAOYSA-N 261.351 -0.791 50 20 CBGD COCCOCCC(=O)NNC(=O)c1c[nH]nc1C 732084018 FLDZBIGYWOBYAN-UHFFFAOYSA-N 270.289 -0.468 50 20 CBGD O=C(CN1CCCNC1=O)NNc1cccnn1 736698173 COWPLYPHUPWNTA-UHFFFAOYSA-N 250.262 -0.665 50 20 CBGD COC[C@](C)(O)C(=O)NNc1ccc(C(=O)OC)cn1 759740771 XKNRGPIXXUORMZ-LBPRGKRZSA-N 283.284 -0.291 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1cc(F)cc(F)c1 764421053 JKYMCBVIVTYORV-UHFFFAOYSA-N 273.195 -0.957 50 20 CBGD CN(C)N(C(=O)Cn1cccn1)[C@H]1CCS(=O)(=O)C1 766249262 PGAXXGRCIBQTHW-JTQLQIEISA-N 286.357 -0.625 50 20 CBGD O=C(NNC(=O)c1cnccn1)Nc1ccncn1 770760358 RFLRGMKOMIEVJW-UHFFFAOYSA-N 259.229 -0.267 50 20 CBGD O=C(CN[C@@H](CO)C1CC1)NNC(=O)c1cccs1 771809098 QLWNQPPKFPQQSE-VIFPVBQESA-N 283.353 -0.130 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@H](C)[S@]1=O 792391570 GAPVOSWEQCBHGV-MCCHPSBSSA-N 287.385 -0.615 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnnn1C 798797653 GLZOFOYIKOXOTJ-MRVPVSSYSA-N 297.315 -0.446 50 20 CBGD CCNC(=O)NNC(=O)C1=C(C)N(C)c2ncnn2[C@@H]1C 798930978 FMRKGWAVDZGKML-MRVPVSSYSA-N 293.331 -0.087 50 20 CBGD CC(C)C(=O)NNC(=O)c1ccnc2c1nnn2C 801081995 GSMUCIDBMWKOFN-UHFFFAOYSA-N 262.273 -0.220 50 20 CBGD O=C(NNC(=O)N1CCO[C@@H](C(=O)O)C1)c1ccccc1 819195091 ZSWTZLDEBAGHTJ-SNVBAGLBSA-N 293.279 -0.174 50 20 CBGD CC(C)NC(=O)NNS(=O)(=O)c1cc(C(=O)O)co1 833503218 PQNGXACAMVCZNQ-UHFFFAOYSA-N 291.285 -0.121 50 20 CBGD C[C@H]1CC(=NNC(=O)Cc2cc(O)nc(O)n2)CO1 842527907 QPPTVJYWLGUVSN-LURJTMIESA-N 266.257 -0.289 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](CN)C1 843348141 YKUQDNMQGUTIFT-ZJUUUORDSA-N 256.350 -0.397 50 20 CBGD O=C(CN1CCC[C@@H]([C@H]2CCNC2)C1)NNC(=O)C1CC1 843387689 HTLZTWZZKZLJHP-QWHCGFSZSA-N 294.399 -0.135 50 20 CBGD Cc1nonc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843651072 KKVUZVMPGBOSMZ-BQBZGAKWSA-N 254.246 -0.436 50 20 CBGD CC(=O)CSCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843655499 VRSSYBFSRRPGAY-RKDXNWHRSA-N 274.342 -0.119 50 20 CBGD O=C(NNS(=O)(=O)C[C@H]1CCCCO1)c1cc[nH]n1 849310705 LHRLEEYSYANSSM-MRVPVSSYSA-N 288.329 -0.457 50 20 CBGD O=C(CCCCc1cnn[nH]1)NNC(=O)c1cc[nH]n1 855356483 NBQQJMJKANORMA-UHFFFAOYSA-N 277.288 -0.298 50 20 CBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ncc[nH]2)C[C@@H](C)O1 856758801 MUQCZPFNXGMMNV-AOOOYVTPSA-N 295.343 -0.330 50 20 CBGD COc1nccnc1NNC(=O)c1cc(O)n(C)n1 857540170 XEOCTVYIWKDBCS-UHFFFAOYSA-N 264.245 -0.319 50 20 CBGD C[C@@H]1OCCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)[C@H]1C 858696003 JPEBXAIPBQQOQB-XHNCKOQMSA-N 284.316 -0.885 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CC[C@@H](C3CC3)C2)N1 858697337 RRKHZUKYGVDGTO-ZJUUUORDSA-N 280.328 -0.262 50 20 CBGD Cc1cccc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862453912 OGHIVLHQQFGBNI-NSHDSACASA-N 275.308 -0.036 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(O)cc2O)N1 862457715 OVWPSSVWTQEAAQ-QMMMGPOBSA-N 279.252 -0.863 50 20 CBGD CCc1ccnc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862460783 JWJZFYIIAPRTGA-VIFPVBQESA-N 276.296 -0.316 50 20 CBGD Cc1cc(=NNC(=O)[C@@H](C)n2cnc(C#N)n2)cc[nH]1 862513846 MLAHCOGDNSVAEK-SECBINFHSA-N 271.284 -0.021 50 20 CBGD C#C[C@@H](NCc1ccc(B(O)O)cc1)[C@@H]1CCCO1 863891757 YMYFKXHVGLIPQL-KGLIPLIRSA-N 259.114 -0.363 50 20 CBGD Cc1cccc(OCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 863972303 WCAVQEKGVIUNCF-NSHDSACASA-N 291.307 -0.200 50 20 CBGD Cn1cc(C(=O)NNC(=O)/C=C/CN2CCOCC2)cn1 865936213 IJIXPWGMXUGZNT-NSCUHMNNSA-N 293.327 -0.931 50 20 CBGD CC(C)(CCNCc1ccc(B(O)O)cc1)C(=O)O 901481697 OEFYVSUSZSSABB-UHFFFAOYSA-N 265.118 -0.043 50 20 CBGD Cc1nn2cccnc2c1C(=O)NN(C)C[C@H](C)O 910170417 KQKRDKVDHZDCJD-QMMMGPOBSA-N 263.301 -0.005 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F 910183557 MKSTTZIVDLNPRC-FXQIFTODSA-N 297.277 -0.355 50 20 CBGD O=C(Cn1cccnc1=O)NNC(=O)NC1CCCCC1 915187968 BWZVMSKYXLFYDX-UHFFFAOYSA-N 293.327 -0.094 50 20 CBGD CC(=O)N[C@@](C)(C(=O)NNC(=O)N(C)C)C(C)C 931118232 CTZAKDMVIAQHFQ-LLVKDONJSA-N 258.322 -0.160 50 20 CBGD Cn1cc(CC(=O)NNC(=O)c2cnn(C)c2)cn1 1116086077 UXSYPWOPJBWTGB-UHFFFAOYSA-N 262.273 -0.843 50 20 CBGD CC(=O)NCCCNC(=O)NNC(=O)Cc1ccncc1 1116195563 MSFXVIRGXBUVMN-UHFFFAOYSA-N 293.327 -0.519 50 20 CBGD C=CC[C@H](NCc1ccc(B(O)O)cc1)C(=O)OCC 1118910630 OJZBDWLZHQQGOH-ZDUSSCGKSA-N 277.129 -0.036 50 20 CBGD CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)c1cnn(C)c1 1121034747 FSJABFAEUCZKIN-VHSXEESVSA-N 266.301 -0.004 50 20 CBGD CO[C@@H](C=NNC(=O)[C@H]1CCC(=O)N1)C1CCOCC1 1261833082 LMURFNRUKBZARU-MNOVXSKESA-N 283.328 -0.191 50 20 CBGD COCCCNC(=O)NNC(=O)c1c(O)nnc(C)c1C 1318005155 VYVLUFXTISAKMW-UHFFFAOYSA-N 297.315 -0.220 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)n1ccnc1 1318035500 YPYHEXRFQDOPIG-QMMMGPOBSA-N 267.289 -0.884 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@]1(C)CCCS1 1319170608 HRIGGOBIVSQZDS-SNVBAGLBSA-N 275.330 -0.225 50 20 CBGD CC(=O)NCC(=O)NNc1ccccc1S(C)(=O)=O 1319190246 ONAOAWJUBQYRHM-UHFFFAOYSA-N 285.325 -0.331 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCOCC(F)(F)F 1322252983 HEMPSWVGWOPJCM-UHFFFAOYSA-N 287.194 -0.931 50 20 CBGD COc1ncc(C)cc1NC(=O)C(=O)NNC(C)=O 1323941144 MPMLTQHDYLKWKQ-UHFFFAOYSA-N 266.257 -0.496 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cc([C@@H]2CCNC2)[nH]n1 1326352486 HBQKTNQCJNQVSV-MRVPVSSYSA-N 280.332 -0.207 50 20 CBGD Cc1ccn(CC(=O)N2CC[C@@H](B(O)O)C2)c(=O)c1 1329294007 VHBISFFKGMRTKH-SNVBAGLBSA-N 264.090 -0.768 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CC23CCOCC3)N1 1329532014 YHVKFNZENUHJPH-RKDXNWHRSA-N 281.312 -0.771 50 20 CBGD Cc1csc(CCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 1330107870 JHAXCOCICJNIDW-QMMMGPOBSA-N 296.352 -0.190 50 20 CBGD Cn1cc(Cl)c(C(=O)NNC(=O)CN2CCCC2=O)n1 1333422937 BVTYBCGRNRICQN-UHFFFAOYSA-N 299.718 -0.543 50 20 CBGD COCCCNC(=O)NNC(=O)c1nccnc1C 1333886008 SEAOPAYEXLOJPA-UHFFFAOYSA-N 267.289 -0.234 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2CCc3nccn3C2)nc1O 1351121875 UWYRHRAWOVIXJL-QMMMGPOBSA-N 289.299 -0.212 50 20 CBGD C[C@@H](CC(=O)NNC(=O)[C@@H]1CCN1)c1cnn(C)c1 1575924720 AGHNJTJELHKTHG-WPRPVWTQSA-N 265.317 -0.577 50 20 CBGD CO[C@@H](CN)C(=O)NNC(=O)COc1cc(C)cc(C)c1 1579110994 AVNFTVHPYGVFKS-LBPRGKRZSA-N 295.339 -0.197 50 20 CBGD CCc1nc(-c2nn[nH]n2)cc(N2CC[C@@H](B(O)O)C2)n1 1590905763 MVOIQPOPGZEHNS-SSDOTTSWSA-N 289.108 -0.728 50 20 CBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)Cc1ccccn1 1605023737 ZLFLFGIJPPXCGQ-OQPBUACISA-N 277.280 -0.118 50 20 CBGD Cn1nc(C(=O)O)cc1C(=O)NNC(=O)C1CCC1 1605538853 IPPKOMNKBNHOAK-UHFFFAOYSA-N 266.257 -0.321 50 20 CBGD O=C1NC(=O)C(=NNC(=O)c2ccccc2F)C(=O)N1 5867388 PACLOLZAJZVHSX-UHFFFAOYSA-N 278.199 -0.723 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C2=NN(C)C(=O)CC2)o1 84291278 VUDYMGMQZLYRBM-UHFFFAOYSA-N 278.268 -0.043 50 20 CBGD CNC(=O)NNC(=O)Cn1nnc(-c2ccc(C)cc2)n1 97714364 BSBUUDLUUJDZBG-UHFFFAOYSA-N 289.299 -0.391 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)c1cc(C)n[nH]1 153009671 LMDOXZBARLSQJM-LURJTMIESA-N 253.262 -0.996 50 20 CBGD COC(=O)NC(C)(C)C(=O)NNC(=O)c1cc(C)n[nH]1 270600758 DQWJRLYCKOTVDU-UHFFFAOYSA-N 283.288 -0.386 50 20 CBGD CCN(C)C(=O)CNC(=O)NNC(=O)C1CCC1 274792587 LRVXUBAXXRGDLE-UHFFFAOYSA-N 256.306 -0.405 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@H]2CC[C@H](C(N)=O)O2)n1 279832226 QWAHLXHRWDRCJY-NXEZZACHSA-N 292.295 -0.816 50 20 CBGD CO/N=C/C(=O)NNC(=O)[C@H]1COc2ccccc2O1 282837429 AVDDZINKQMZOTB-KUKWCLJQSA-N 279.252 -0.394 50 20 CBGD CC(=O)NCC(=O)NNC(=O)c1ccc(C)cc1O 299239859 BEMRTSQEIIQLAB-UHFFFAOYSA-N 265.269 -0.402 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cnc[nH]2)n1 299651832 OUBHUTURMWWERG-UHFFFAOYSA-N 262.273 -0.316 50 20 CBGD Cc1ncc2c(n1)CCN(C(=O)c1cccc(B(O)O)c1)C2 584930536 ZCGBDHLGDLHEGF-UHFFFAOYSA-N 297.123 -0.337 50 20 CBGD COC[C@H](NC(=O)c1ccc(B(O)O)cc1)C(C)C 584949142 CUMRBCKVLPZGTE-LBPRGKRZSA-N 265.118 -0.233 50 20 CBGD C[C@@H](NC(=O)c1cccc(B(O)O)c1)[C@H]1CCOC1 584950382 JQVBTXMHVCXWTE-KOLCDFICSA-N 263.102 -0.479 50 20 CBGD CSCC[C@@H](CO)NC(=O)c1ccc(B(O)O)cc1 584962457 GLTHJRZHVBNFMU-NSHDSACASA-N 283.158 -0.790 50 20 CBGD CN(C[C@@H]1CCCC[C@@H]1O)C(=O)c1cccc(B(O)O)c1 584971934 IMSPRPXQGYJYPZ-JSGCOSHPSA-N 291.156 -0.011 50 20 CBGD CC(C)C[C@H](CO)N(C)C(=O)c1ccc(B(O)O)c(F)c1 584976660 KKZUEOMFYRUFJP-LLVKDONJSA-N 297.135 -0.016 50 20 CBGD CC1(C)CN(C(=O)c2cccc(B(O)O)c2)CC[C@@H]1O 584979533 WQHSTTGAOAPWCH-LBPRGKRZSA-N 277.129 -0.401 50 20 CBGD CO[C@@H](C)[C@H](C)NC(=O)c1cc(B(O)O)ccc1F 584979570 XZILZGPSPUGEJP-YUMQZZPRSA-N 269.081 -0.341 50 20 CBGD Cc1cnn([C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C2)c1 584990298 BNOXAFKRZHGAPH-CQSZACIVSA-N 299.139 -0.041 50 20 CBGD CC(C)N(C)C[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F 584991427 YOFVUEYLZGVUCT-SNVBAGLBSA-N 296.151 -0.036 50 20 CBGD CC[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@@H](C)O 584998307 PEWKPWWOFKXBMS-RDDDGLTNSA-N 269.081 -0.605 50 20 CBGD C[C@@H](CC[S@@](C)=O)NCc1cccc(B(O)O)c1 585031155 SHTBLTGPVKBRIK-XTZNXHDOSA-N 269.175 -0.387 50 20 CBGD CNC(=O)[C@@H]1CCC[C@H]1NCc1ccccc1B(O)O 585032691 YPBVEZWLSKHGQA-DGCLKSJQSA-N 276.145 -0.629 50 20 CBGD OC[C@@H](C1CC1)[C@@H](NCc1ccc(B(O)O)o1)C1CC1 585043385 LETSEYIZCNXIGG-JSGCOSHPSA-N 279.145 -0.154 50 20 CBGD COc1cccc([C@@H](OC)C(=O)NCB(O)O)c1 585063168 SRNPGOLSYPTYRX-SNVBAGLBSA-N 253.063 -0.489 50 20 CBGD CN(C)c1ccc(C(=O)N2CC[C@H](B(O)O)C2)cn1 585069238 JZYXAXNGUVZUJW-JTQLQIEISA-N 263.106 -0.164 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)c1cnc[nH]1 730836989 WODFHAZHTYFIJW-UHFFFAOYSA-N 276.252 -0.045 50 20 CBGD O=C(NC[C@H]1COCCO1)NNc1cccnn1 736374675 DDMZPNOJGBOPII-QMMMGPOBSA-N 253.262 -0.482 50 20 CBGD Cc1cc(NNC(=O)[C@@H]2CCS(=O)(=O)C2)nc(C)n1 736716921 WKXKJYDLHPLTHI-SECBINFHSA-N 284.341 -0.029 50 20 CBGD CCN(CC(=O)O)[C@@H](C)C(=O)NNC(=O)CC(C)C 737076244 XHWCMUHNBJJCEL-VIFPVBQESA-N 273.333 -0.025 50 20 CBGD CC(CN1C(=O)CCC1=O)=NNC(=O)Cc1cc(C)[nH]n1 754924068 UQBKARBYTHBBED-UHFFFAOYSA-N 291.311 -0.098 50 20 CBGD COCC(=O)NNC(=O)Nc1ccn(CCC#N)n1 756655382 ORVWWRISWKICCO-UHFFFAOYSA-N 266.261 -0.404 50 20 CBGD CCOCC(=O)NNC(=O)NCCCO[C@@H]1CCOC1 757246082 FBPAQLIIYMLFMG-SNVBAGLBSA-N 289.332 -0.451 50 20 CBGD Cn1cc(C(=O)NN[C@H](Cc2ccccc2)C(N)=O)cn1 758149195 ZFWNUPMPKAFYDS-GFCCVEGCSA-N 287.323 -0.249 50 20 CBGD CC(C)NC(=O)NNC(=O)c1cnc2c(c1)NC(=O)CO2 770719904 RZXCPVDEHRERSY-UHFFFAOYSA-N 293.283 -0.235 50 20 CBGD CN(CC(=O)NCCCSC#N)S(C)(=O)=O 773593560 KYQLAXWHUJEGOI-UHFFFAOYSA-N 265.360 -0.402 50 20 CBGD Cc1cccnc1NNC(=O)CCNS(C)(=O)=O 791219800 VHHQOXXRRSURPN-UHFFFAOYSA-N 272.330 -0.228 50 20 CBGD Cc1cccc(C(=O)NNC(=O)C(C)(C)C(N)=O)n1 794071878 HBAAKGFVXSNTAL-UHFFFAOYSA-N 264.285 -0.337 50 20 CBGD Cn1c(Cl)cnc1C=NNC(=O)C(=O)NC1CC1 799475386 VPWCVOQWXPFISW-UHFFFAOYSA-N 269.692 -0.198 50 20 CBGD C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)N2CCOCC2)O1 800329055 ZMPSIEFBDYCCHS-OPRDCNLKSA-N 271.317 -0.127 50 20 CBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)c1ccccn1 816808484 PGHXNVLYJQFRMD-JGVFFNPUSA-N 262.269 -0.646 50 20 CBGD C[C@@H](C(=O)O)N(C)CC(=O)NNC(=O)C(C)(C)C 817772201 KOQLBVHSPVODRJ-ZETCQYMHSA-N 259.306 -0.415 50 20 CBGD C[C@H](O)CN(C)NC(=O)CNC(=O)c1ccc(F)cc1 821218307 XSEZLKKNSFIYBF-VIFPVBQESA-N 283.303 -0.101 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCC(=O)N(C)C 825785078 DXVAINKVTKVZMH-DTWKUNHWSA-N 286.332 -0.780 50 20 CBGD O=C1CC[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)N1 826479647 DUSVJWPKTMYGJQ-SECBINFHSA-N 287.283 -0.412 50 20 CBGD CO[C@@H]1COC[C@H]1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 827259451 JAOLEWPYPKEEOL-ZYUZMQFOSA-N 287.316 -0.844 50 20 CBGD COc1cc(C)nc(NNC(=O)c2cc(O)n(C)n2)n1 829482646 OSKUIFZNFXPGOT-UHFFFAOYSA-N 278.272 -0.010 50 20 CBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)NCC1CC1 847390967 PIPISZXMWSYFHM-HTQZYQBOSA-N 254.290 -0.762 50 20 CBGD CS(=O)(=O)CCC(=O)NNC(=O)[C@H]1CCCCO1 854682909 HOUDMBSRAMPJRD-MRVPVSSYSA-N 278.330 -0.862 50 20 CBGD COC(=O)C(C)(C)CCNC(=O)NNC(=O)c1cn[nH]c1 858449395 ZINJTICGEQQIKS-UHFFFAOYSA-N 297.315 -0.057 50 20 CBGD COC(=O)COCC(=O)NN[C@@H](C)C(F)(F)F 862319684 JXEGBUOJPYJROP-YFKPBYRVSA-N 258.196 -0.252 50 20 CBGD COC(=O)CC(C)(C)CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862457884 SSFRPXKQZAQDCP-MRVPVSSYSA-N 299.327 -0.608 50 20 CBGD CO[C@@H](C(=O)NNC(=O)CO)c1ccc(F)cc1 863903649 OOYMEIBOZDZGIC-SNVBAGLBSA-N 256.233 -0.347 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CO[C@H](C)C1 869906526 NJMUZPAPSJFYFX-BDAKNGLRSA-N 260.290 -0.778 50 20 CBGD CN(C)C(=O)CNC(=O)NNC(=O)C1CCCC1 915910559 KEBAAXODUZAFDE-UHFFFAOYSA-N 256.306 -0.405 50 20 CBGD COCCCNC(=O)NNC(=O)[C@]1(F)CCOC1 1117705497 SOEONFFXPIDRON-JTQLQIEISA-N 263.269 -0.518 50 20 CBGD N#Cc1cncc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)c1 1118976036 UNHJAAPUDLHOQB-SECBINFHSA-N 281.102 -0.809 50 20 CBGD Cn1cc(C(=O)NNC(=O)CC(F)(F)F)c(O)nc1=O 1317980401 JIRGCKAVHVKRKW-UHFFFAOYSA-N 294.189 -0.801 50 20 CBGD Cc1ccc2ncc(C(=O)NNC(=O)N(C)C)c(=O)n2c1 1318036618 FONCOAIDRMQHHS-UHFFFAOYSA-N 289.295 -0.081 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCCN(C(N)=O)CC1 1319329360 YLGVGSMQDCYXEV-UHFFFAOYSA-N 299.375 -0.734 50 20 CBGD Cn1ccc(CCNC(=O)NNC(=O)c2ccc[nH]2)n1 1320468820 OEJAWVYYQGJVPJ-UHFFFAOYSA-N 276.300 -0.065 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1[C@H](C)[C@@H](OC)C1(C)C 1320639115 BBHUFKDSPXOIBF-XLPZGREQSA-N 287.316 -0.451 50 20 CBGD C#CCCCNC(=O)NNC(=O)C(=O)Nc1ccccn1 1321000463 SWXVNXLEFCUSDA-UHFFFAOYSA-N 289.295 -0.236 50 20 CBGD COc1ccc(C(=O)NNC(=O)c2cnnn2C)cc1 1321309306 MHTUQVBZLRFSKY-UHFFFAOYSA-N 275.268 -0.102 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc[nH]n1 1322031691 ZVWCDICFKJKZGY-UHFFFAOYSA-N 267.289 -0.525 50 20 CBGD CNC(=O)NCCC(=O)NNC(=O)c1ccc(OC)cc1 1324433717 ZWIZQNRJYNQURT-UHFFFAOYSA-N 294.311 -0.225 50 20 CBGD CCc1ncsc1NC(=O)C(=O)NNC(=O)COC 1325519576 MSCFRWMPFUXDEU-UHFFFAOYSA-N 286.313 -0.562 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1CCc2n[nH]cc2C1 1328789222 NGIRWHXYPWOVIV-SECBINFHSA-N 289.299 -0.366 50 20 CBGD O=C1CCC[C@H](C(=O)NNC(=O)C2CCOCC2)N1 1332798982 XYXMXOFLDAVFMY-SECBINFHSA-N 269.301 -0.771 50 20 CBGD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NNc1cccnn1 1337692113 CFOXTTVMJQDBQH-XCBNKYQSSA-N 279.300 -0.805 50 20 CBGD CC(=O)N1CC[C@@H](NC(=O)NNc2cccnn2)C1 1347928390 HURORIVMUNSTRU-SECBINFHSA-N 264.289 -0.277 50 20 CBGD O=S1(=O)N=C(N2CC[C@H](B(O)O)C2)c2ccccc21 1348489738 BCLIZWAEOHTDIC-QMMMGPOBSA-N 280.114 -0.316 50 20 CBGD CCN(CCO)NC(=O)c1cn(CC2(C)COC2)nn1 1348955584 NUIXLULGFGUNKO-UHFFFAOYSA-N 283.332 -0.726 50 20 CBGD C[C@]1(C(=O)NNC(=O)c2cccc(F)n2)C[C@H](O)CN1 1576350685 RPBVEAARBPPLGR-JVXZTZIISA-N 282.275 -0.905 50 20 CBGD C[C@H]1NCCC[C@H]1NC(=O)NNC(=O)C(=O)N1CCCC1 1579498460 UADNWOMVDSECLU-NXEZZACHSA-N 297.359 -0.920 50 20 CBGD O=C(C[C@]1(O)CCCNC1)NNC(=O)[C@@H]1CCCS1 1580497666 FYLXIFNQRCMMQY-JOYOIKCWSA-N 287.385 -0.466 50 20 CBGD NC(=O)C(=O)NN=CCCc1ccc(-c2nn[nH]n2)cc1 1592714253 LVDISJYWGSBKAE-UHFFFAOYSA-N 287.283 -0.613 50 20 CBGD O=C(NNC(=O)C1CC1)c1cc(O)cc(-c2nn[nH]n2)c1 1593157420 ARDGSQFHBPIWKT-UHFFFAOYSA-N 288.267 -0.257 50 20 CBGD COC(=O)C(=O)NN=Cc1cc(C(=O)O)ccc1O 1598684391 JVGXAHLLBJFMCY-UHFFFAOYSA-N 266.209 -0.287 50 20 CBGD O=C(NCCCNc1ccccn1)NNC(=O)C(=O)O 1601499461 JEINFDBJBNQCAR-UHFFFAOYSA-N 281.272 -0.701 50 20 CBGD O=C(O)CC1CC(NC(=O)c2cc(B(O)O)ccc2F)C1 1601944664 SGLGCEJMTRLXLL-UHFFFAOYSA-N 295.075 -0.511 50 20 CBGD O=C(NNC(=O)c1ncon1)c1ccc(C(=O)O)nc1 1605815421 KIBNYJVJVWMXJS-UHFFFAOYSA-N 277.196 -0.762 50 20 CBGD N#CC1=CCN(C(=O)CN2CCC(=O)NC2=O)CC1 1630799860 XZBDPHZGUYFALY-UHFFFAOYSA-N 262.269 -0.389 50 20 CBGD COCCCNC(=O)NNC(=O)CCc1cnn(C)c1 49167264 FXDZDRIVYRMICJ-UHFFFAOYSA-N 283.332 -0.280 50 20 CBGD COc1ccnc(NNC(=O)CCn2ccnn2)n1 264718740 HLQJMYGWNARMBM-UHFFFAOYSA-N 263.261 -0.390 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CNC(=O)c1cccs1 277174053 RSZOWPRIMUHQMW-UHFFFAOYSA-N 285.325 -0.604 50 20 CBGD O=C(NCCNC(=O)C1CC1)NNC(=O)[C@@H]1CCCO1 291585303 FQSHLEBTRLQOLK-VIFPVBQESA-N 284.316 -0.978 50 20 CBGD COC(=O)NNC(=O)CNC(=O)c1cccc(OC)c1 298296863 JGLDGQSPDGFERQ-UHFFFAOYSA-N 281.268 -0.188 50 20 CBGD C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)CCCO1 584938663 CXQRCLRRFVOSCE-JTQLQIEISA-N 263.102 -0.383 50 20 CBGD CC1(C)[C@@H](O)C[C@@H]1NC(=O)c1ccc(B(O)O)cc1 584973791 JTNFOROLZVBIBB-QWRGUYRKSA-N 263.102 -0.744 50 20 CBGD COCCO[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584976954 NYIMBVSXGQRTTP-ZDUSSCGKSA-N 293.128 -0.756 50 20 CBGD O=C(NCC1=CCOCC1)c1ccc(B(O)O)c(F)c1 584996083 XACJSKOAZUGDHV-UHFFFAOYSA-N 279.076 -0.418 50 20 CBGD OB(O)c1ccccc1CN[C@H]1CCN(C2CC2)C1 585022641 USDHGXRPNBGVKK-LBPRGKRZSA-N 260.146 -0.307 50 20 CBGD C[C@@](CO)(CNCc1ccc(B(O)O)o1)c1ccccc1 585040367 JVQGKGOBNSCFRK-HNNXBMFYSA-N 289.140 -0.001 50 20 CBGD CCN1CCN(c2ccc(C(=O)NCB(O)O)cc2)CC1 585060228 BYVJGHDKRUQLEW-UHFFFAOYSA-N 291.160 -0.430 50 20 CBGD Cn1nc(C(=O)NNC(=O)c2ccc[nH]2)ccc1=O 726629782 RPXRIPZALRVUQQ-UHFFFAOYSA-N 261.241 -0.817 50 20 CBGD CCC[C@@](C)(NCC(=O)NNC(=O)C1CC1)C(=O)OC 733198424 GCQGJDPFTLAQED-CYBMUJFWSA-N 285.344 -0.135 50 20 CBGD O=C(CCCN1C(=O)CCC1=O)NNc1cnccn1 734242753 YUZJWENZLNZMKB-UHFFFAOYSA-N 277.284 -0.151 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1CCCS1 743750870 QEFVNVHLDVCVGL-QMMMGPOBSA-N 259.331 -0.045 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)C)CC(=O)N(C)C 744385144 LVWOHFDIXBDFJO-UHFFFAOYSA-N 272.349 -0.800 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)Cc1nc[nH]n1 746477982 KVZWBTUJBBWSMF-VIFPVBQESA-N 282.348 -0.182 50 20 CBGD COc1ccc(NNC(=O)CNC(=O)CNC(C)=O)cc1 746887547 VFOMUJUHAUUFQX-UHFFFAOYSA-N 294.311 -0.609 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(OC)nc1 764325058 BUDSPZAYYCKUNO-UHFFFAOYSA-N 296.283 -0.787 50 20 CBGD COC(=O)C1(C(=O)NNC(=S)NCCSC)CC1 768374982 IOYVYRKUEUAANE-UHFFFAOYSA-N 291.398 -0.202 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](O)[C@@H](C)C1 778258733 PYHTWWBEGLWUTJ-GUBZILKMSA-N 257.334 -0.365 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1ccn(C)n1 779356688 GKILHDXBLXNEOS-MRVPVSSYSA-N 285.304 -0.376 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CCCC12OCCO2 823884704 GJJKWUPJAYEUCS-SNVBAGLBSA-N 258.318 -0.125 50 20 CBGD C[C@@H](CO)N(C)NC(=O)/C=C1\SCC(=O)N1C 823913095 NYEGMVWFPFMNLF-SOBCLFBASA-N 259.331 -0.623 50 20 CBGD COC[C@H](CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C)OC 826873353 LFCWWXZYMSGEFO-GUBZILKMSA-N 289.332 -0.597 50 20 CBGD CC(C)C(=O)NNC(=O)CN(C)CCN1CCCC1 827807698 HPKFCHPYNYSKNW-UHFFFAOYSA-N 270.377 -0.183 50 20 CBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@H](O)C1CC1 829505600 WPEXYBSSJLLZAJ-CYBMUJFWSA-N 288.307 -0.205 50 20 CBGD CN1CCC[C@H]1C(=O)NNC(=O)[C@@H]1CCCCO1 833250127 CKXVGACMTJLSEB-UWVGGRQHSA-N 255.318 -0.203 50 20 CBGD CCO[C@@H]1COC[C@H]1NC(=O)NNc1nccc(OC)n1 838718884 HAEMCQUNKLTIFF-RKDXNWHRSA-N 297.315 -0.085 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H](CN)CC(C)C 841952993 ADMBJWBQMCTBBN-SECBINFHSA-N 260.338 -0.273 50 20 CBGD C[C@H](CC(=O)NN)NS(=O)(=O)c1cccnc1Cl 843450641 VZSFRUCLOBWXNE-ZCFIWIBFSA-N 292.748 -0.218 50 20 CBGD COC/C(C)=C/C(=O)NNC(=O)c1ncccn1 844585369 OANZLKWJRZDJPP-SOFGYWHQSA-N 250.258 -0.170 50 20 CBGD O=C(Cn1nc2n(c1=O)CCCC2)NNc1ccncn1 846235587 HMVZVVZUURPRRI-UHFFFAOYSA-N 289.299 -0.686 50 20 CBGD CCn1ncnc1C=NNC(=O)C(=O)N1CCCC1 848404096 JZYFEFPNRWLSBH-UHFFFAOYSA-N 264.289 -0.630 50 20 CBGD Cc1nc2ccccn2c1C(=O)NNC(=O)Cn1cncn1 849205483 GDDIHNVZJXTUAS-UHFFFAOYSA-N 299.294 -0.305 50 20 CBGD CNC[C@@H](C)NC(=O)NNC(=O)Cc1ccncc1 851679216 AJAPJAAVMJGVHG-SECBINFHSA-N 265.317 -0.438 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=O)[C@H]1CCCCO1 854683820 UTGRBBIKSHZQGW-RKDXNWHRSA-N 260.290 -0.636 50 20 CBGD CC(C)n1nnnc1-c1cccc(NC(=O)C(=O)NN)c1 861505292 VWPXXDDPAMFVAP-UHFFFAOYSA-N 289.299 -0.151 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2occ3c2CCC3)N1 862461925 NBGFCIQIGWDMNJ-SECBINFHSA-N 277.280 -0.192 50 20 CBGD C#C[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C(C)C 863880704 FGIYFMKHYLIKND-GFCCVEGCSA-N 263.077 -0.107 50 20 CBGD CC(C)(CCl)CS(=O)(=O)N(CCO)CCO 867039620 DXYLXIWDHZTSLC-UHFFFAOYSA-N 273.782 -0.132 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1COc2ccc(O)cc2O1 868859716 KUQHLNNIVXGOQN-JTQLQIEISA-N 297.336 -0.001 50 20 CBGD Cc1nnc(NNC(=O)[C@@H](C)NC(=O)C(C)(C)C)nc1O 875716246 TXENVNSOMLYIAF-ZCFIWIBFSA-N 296.331 -0.120 50 20 CBGD C=C(CBr)CN1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 878974075 UKPHWMUVXACZNJ-HTQZYQBOSA-N 290.161 -0.544 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)c2ccccc2)C1=O 899916587 VXONZVQWCULOED-SNVBAGLBSA-N 277.280 -0.695 50 20 CBGD CCCCNC(=O)NNC(=O)c1cn(C)c(=O)n1C 900383286 QNYQYRYBOZUKMG-UHFFFAOYSA-N 269.305 -0.532 50 20 CBGD CN1C(=O)CCC[C@H]1C(=O)NNC(=O)[C@@H]1CCCCO1 908517364 JOQMWWBUCMKDGJ-UWVGGRQHSA-N 283.328 -0.286 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H](C)NC(=O)C(C)(C)C 910175352 NFGLCKFCFZEIBU-DTWKUNHWSA-N 259.350 -0.119 50 20 CBGD Cc1cocc1C(=O)NNC(=O)CN1CCCC1=O 913734675 XEVQSCRRDATYTP-UHFFFAOYSA-N 265.269 -0.029 50 20 CBGD C[C@H](C(=O)NNC(=O)CC(F)(F)F)n1cncn1 918365741 BTVHUJPCBYGVHZ-RXMQYKEDSA-N 265.195 -0.061 50 20 CBGD CNC(=O)NN=Cc1c(OC)nc(N)nc1N1CCCC1 920377177 NYWCYFWIQMIOQE-UHFFFAOYSA-N 293.331 -0.070 50 20 CBGD O=C(COCC1CC1)NNC(=O)CN1CCCC1=O 920433124 ONSSZSGJQBMUFW-UHFFFAOYSA-N 269.301 -0.817 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@@H]2CCNC[C@@H]2C1 923521649 PJSOSLNCOYTMQW-OUAUKWLOSA-N 268.361 -0.526 50 20 CBGD CC[C@@](C)(O)C(=O)NNC(=O)Cc1ccncc1 934043883 OITKQHKZPHWZKJ-GFCCVEGCSA-N 251.286 -0.068 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)NC[C@H]1COCCO1 1116195848 PTMBVSZGJIBVTJ-NSHDSACASA-N 294.311 -0.630 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc2cc[nH]c2n1 1254338256 INLVEJBRWDAION-UHFFFAOYSA-N 289.295 -0.152 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC1(SC)CCC1 1256206177 VODKFMPGMQBMRY-UHFFFAOYSA-N 275.330 -0.225 50 20 CBGD CC(C)c1ncncc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1261829869 DFAOLZCOCIYYSQ-VIFPVBQESA-N 291.311 -0.360 50 20 CBGD Cc1nnc(O)c(C(=O)NN(C)[C@H](C)CO)c1C 1261911317 ZOTTVDJMVZUPGV-ZCFIWIBFSA-N 254.290 -0.244 50 20 CBGD Cc1nn2cccnc2c1C(=O)NNC(=O)N(C)C 1318037261 NNLDFBSSIJIAGZ-UHFFFAOYSA-N 262.273 -0.046 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@H]1C=CCCC1 1319593751 GYTJUGGBRQZVFP-QMMMGPOBSA-N 266.301 -0.296 50 20 CBGD CC(C)(C)C(=O)NNC(=O)c1nccnc1C(N)=O 1322222882 MQWUKRMIYMSERW-UHFFFAOYSA-N 265.273 -0.617 50 20 CBGD Cc1ccc(NNC(=O)NCC(=O)NCC#N)nn1 1323855318 VWALXFPCUDQBAE-UHFFFAOYSA-N 263.261 -0.949 50 20 CBGD Nc1nccnc1C(=O)NNC(=O)NCC(F)(F)F 1326977600 DOLNLJINHNLALQ-UHFFFAOYSA-N 278.194 -0.435 50 20 CBGD COCCCCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1328782968 HYGQKZJDPKJTOL-SECBINFHSA-N 286.332 -0.588 50 20 CBGD CCn1nc(C)c(C=NNC(=O)[C@@H]2CCC(=O)N2)n1 1329189949 AULMTHBOHGODII-QMMMGPOBSA-N 264.289 -0.665 50 20 CBGD CC(C)(C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CCOCC1 1330965397 UEDKJSUNDAUGFS-JTQLQIEISA-N 297.355 -0.135 50 20 CBGD CCn1nc(C)c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1C 1331802896 JRYXXTVITLPUDQ-VIFPVBQESA-N 293.327 -0.441 50 20 CBGD COC(=O)NNC(=O)c1nc2nc(C)cc(C)n2n1 1337084540 VOBUCGSVXQQWEZ-UHFFFAOYSA-N 264.245 -0.258 50 20 CBGD C[C@H](C(=O)NNc1ncccn1)[C@@H](C)S(C)(=O)=O 1339549855 VHDNUMJBVORGKE-JGVFFNPUSA-N 272.330 -0.011 50 20 CBGD Cc1nnc(C(=O)NNC(=O)C2CCNCC2)s1 1348045465 GYYDWFMHWAMDCT-UHFFFAOYSA-N 269.330 -0.393 50 20 CBGD CO[C@@H]1C[C@H]1C(=O)NN(C)C(=O)N1CCNCC1 1579127462 PBARPLKVDOYVGM-RKDXNWHRSA-N 256.306 -0.991 50 20 CBGD Cc1ccc(C(=O)NNC(=O)NCC2[C@H]3CNC[C@H]23)o1 1579664002 URKUEQMVOPTMQM-IUCAKERBSA-N 278.312 -0.003 50 20 CBGD O=C(NNC(=O)[C@H]1CC(c2ccccc2)=NO1)[C@@H]1CCN1 1580732796 JTNMJLJJSKCPJV-CMPLNLGQSA-N 288.307 -0.311 50 20 CBGD CC1(C)C[C@@]1(C(=O)O)C(=O)NNC(=O)CN1CCCC1=O 1589219615 OWIOFNJTNMZDDV-ZDUSSCGKSA-N 297.311 -0.743 50 20 CBGD CC1(C)C[C@@]1(C(=O)O)C(=O)NNC(=O)c1cnsn1 1589220193 XONWUBJMHFDLJX-JTQLQIEISA-N 284.297 -0.200 50 20 CBGD O=C(NNc1cccnn1)c1c[nH]c(-c2nn[nH]n2)c1 1593166771 MMSZPDBOJUCNSS-UHFFFAOYSA-N 271.244 -0.258 50 20 CBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NCCSS(C)(=O)=O 1594226706 ZFYHZFKINCKBLD-MUWHJKNJSA-N 281.355 -0.094 50 20 CBGD O=C(Cc1ccccn1)NNC(=O)[C@@]1(C(=O)O)CCCO1 1594710981 GNMWKSVNOSHGLP-CYBMUJFWSA-N 293.279 -0.595 50 20 CBGD O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(B(O)O)cc1 1594792349 HXEHDMXHGGMLDW-KOLCDFICSA-N 277.085 -0.651 50 20 CBGD O=C(O)[C@@]1(C(=O)NNc2ncncc2F)CCCO1 1594867595 OMSYHFKRDYXECT-JTQLQIEISA-N 270.220 -0.307 50 20 CBGD Cc1cc(C)nc(NNC(=O)N[C@H]2CCS(=O)(=O)C2)n1 42872444 OHCAFOSBIXOWOV-VIFPVBQESA-N 299.356 -0.093 50 20 CBGD CNc1nc(C(=O)NNC(=O)c2cnn(C)c2)cs1 121102169 ZJGSOZGZCUHGMX-UHFFFAOYSA-N 280.313 -0.007 50 20 CBGD CC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c1cnn(C)c1 183329642 VWYRLSSBZRNEOK-NSHDSACASA-N 295.343 -0.268 50 20 CBGD Cn1/c(=N\NC(=O)CNC(=O)CN)sc2ccccc21 187554626 QEKDVCGMIFFZAO-FOWTUZBSSA-N 293.352 -0.753 50 20 CBGD CCN(CC(N)=O)S(=O)(=O)CBr 231827035 ASBTWKBTJQKRQA-UHFFFAOYSA-N 259.125 -0.524 50 20 CBGD CCO[C@H](C)C(=O)NNC(=O)CNC(=O)c1cccnc1 268897595 XYPYFWFZCBRMHE-SECBINFHSA-N 294.311 -0.616 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2nc[nH]n2)n1 269556107 JKDCEPRTFSJEPP-UHFFFAOYSA-N 263.261 -0.921 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ccncc2)CC1 278701112 RZZCEXHIZHYNLY-UHFFFAOYSA-N 263.301 -0.317 50 20 CBGD COC(=O)C1(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)CC1 293921570 NGLMAYQEDLRNPW-YUMQZZPRSA-N 270.285 -0.346 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccn(C)c(=O)c2)O1 293944168 PNESKSPNKASPAG-WPRPVWTQSA-N 279.296 -0.286 50 20 CBGD COC(=O)NC(C)(C)C(=O)NNC(=O)[C@@H]1CCCO1 294121002 SUTQVPWURNPBAW-ZETCQYMHSA-N 273.289 -0.553 50 20 CBGD O=C(NNC(=O)[C@@H]1CN2CCCN1CC2)c1ccc[nH]1 367159986 PKOJUANBHTWSPU-NSHDSACASA-N 277.328 -0.834 50 20 CBGD CCOC(=O)NNC(=S)NCCCN1CCOCC1 490615443 ATXVUSRYJDXOAW-UHFFFAOYSA-N 290.389 -0.166 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)C1(S(N)(=O)=O)CC1 496139290 RUYXEQMLBSKVOY-UHFFFAOYSA-N 279.318 -0.637 50 20 CBGD CNC(=O)CCCC(=O)Nc1cccc(B(O)O)c1 584912193 CYKVHNNMRZKXOO-UHFFFAOYSA-N 264.090 -0.779 50 20 CBGD C[C@H](CC#N)N(C)C(=O)c1cc(B(O)O)ccc1F 584942666 LWFHOAUKNGGYAE-MRVPVSSYSA-N 264.065 -0.120 50 20 CBGD O=C(N[C@H]1CCO[C@@H]1C1CC1)c1ccc(B(O)O)cc1 584968189 UGSVUEDCQKKABL-QWHCGFSZSA-N 275.113 -0.336 50 20 CBGD C=CC[C@@H](CO)CNC(=O)c1ccc(B(O)O)c(F)c1 584969355 CPQZBWQARUGHFD-SECBINFHSA-N 281.092 -0.580 50 20 CBGD CC1(C)CN(C(=O)c2ccc(B(O)O)c(F)c2)CC[C@H]1O 584979202 NGOSMFJNNWMBSF-GFCCVEGCSA-N 295.119 -0.262 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC(F)(F)[C@H](CO)C1 584990778 KEXMSYHOHNXYHO-JTQLQIEISA-N 299.082 -0.544 50 20 CBGD C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@@]1(C)CO 585009203 SDYKUQUQONPPRV-HZMBPMFUSA-N 277.129 -0.543 50 20 CBGD CCN1CCC[C@@H]1CNCc1cccc(B(O)O)c1 585016243 KHRQNSSIIVUOBJ-CQSZACIVSA-N 262.162 -0.060 50 20 CBGD C[C@@H](Cn1cccn1)NCc1cccc(B(O)O)c1 585018251 SZXBAIJIOTYCBU-NSHDSACASA-N 259.118 -0.259 50 20 CBGD OB(O)c1cccc(CNCc2nnnn2CC2CC2)c1 585036464 KGAXPMFLMZSFIW-UHFFFAOYSA-N 287.132 -0.947 50 20 CBGD CCOCC(=O)NNC(=O)NCCN1CCO[C@H](C)C1 731282856 YYOQOJYYFWSGCX-SNVBAGLBSA-N 288.348 -0.926 50 20 CBGD CCCNC(=O)NNC(=O)CCCC(=O)N(C)C 746170001 AGLHXWISYXIMKV-UHFFFAOYSA-N 258.322 -0.015 50 20 CBGD COc1ccnc(NNC(=O)[C@@H](C)CS(C)(=O)=O)n1 746830387 NZERTWBSQFGKQF-ZETCQYMHSA-N 288.329 -0.391 50 20 CBGD C[C@H]1OCCC1=NNC(=O)[C@@H]1CCS(=O)(=O)C1 747752062 UXKBDESNWALZKZ-HTQZYQBOSA-N 260.315 -0.298 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CC1CCCC1 749940785 OAYLZKNSXBAVEJ-MRVPVSSYSA-N 291.373 -0.348 50 20 CBGD NC(=O)c1ccc(NC(=O)NNC(=O)CO)cc1F 756350551 BNUHLMNDKGCAGF-UHFFFAOYSA-N 270.220 -0.930 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2CCN(C)C2=O)n1 773237925 ZUUZNLQZQYJOIZ-QMMMGPOBSA-N 279.300 -0.285 50 20 CBGD C#C[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)[C@H]1CCCO1 773553817 ALHWMZSDNQCVTC-GHMZBOCLSA-N 291.311 -0.455 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](n2cncn2)C1 776876141 DPHCMPFEJQXBPS-ZJUUUORDSA-N 280.332 -0.529 50 20 CBGD O=C(CO)NNC(=O)c1csc(NC2CC2)n1 777782927 XKVITMMJLNRXPX-UHFFFAOYSA-N 256.287 -0.529 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cnccc1N(C)C 779823942 UQKCYFZSIZLHSR-UHFFFAOYSA-N 279.300 -0.046 50 20 CBGD COC1(CNC(=O)NNC(=O)c2cnn(C)c2)CCC1 780043766 GJUCCRFFXJHYMB-UHFFFAOYSA-N 281.316 -0.067 50 20 CBGD CN(NC(=O)CSc1nnc2ccccn12)C(N)=O 782765393 YZZNJGBLOYJIIS-UHFFFAOYSA-N 280.313 -0.137 50 20 CBGD COCCCNC(=O)NNC(=O)COC(F)F 795589026 SPHHUXJRURQTTB-UHFFFAOYSA-N 255.221 -0.408 50 20 CBGD CCc1occc1C(=O)NNC(=O)C(=O)NC1CC1 797702254 WPVNGKNSEIGKTP-UHFFFAOYSA-N 265.269 -0.118 50 20 CBGD C[C@@](C#N)(CC(=O)O)C(=O)NNc1ncnc2[nH]cnc12 819849170 XXFDTPWVBMWWIE-NSHDSACASA-N 289.255 -0.199 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)s1 821294660 WTOOGHBWPXHEOR-UHFFFAOYSA-N 281.301 -0.108 50 20 CBGD CC(C)Cn1[nH]c(CC(=O)NN(C)[C@@H](C)CO)cc1=O 823384285 HMCCGNTXWWEHFF-JTQLQIEISA-N 284.360 -0.281 50 20 CBGD COC(=O)c1ccc(C(=O)NN(C)[C@H](C)CO)[nH]1 823921953 FYXZGEMRBHIDGE-SSDOTTSWSA-N 255.274 -0.241 50 20 CBGD C[C@@H](CO)N(C)NC(=O)C(C)(C)S(=O)(=O)C1CC1 823923177 POFLQYMTMSDCHI-QMMMGPOBSA-N 278.374 -0.314 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cnn(C)c1 826846300 NLJIIVUIUBEZIW-CBAPKCEASA-N 267.289 -0.002 50 20 CBGD CO[C@H]1CCCN(CC(=O)NNC(=O)C(C)C)C1 827667709 KVOHCDKWIYHAPA-JTQLQIEISA-N 257.334 -0.099 50 20 CBGD CCN1C[C@@H](C(=O)NNC(=O)[C@H]2CCCCO2)CC1=O 833256555 OQVFJFSCIXWGIW-VHSXEESVSA-N 283.328 -0.429 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CCC1 843973801 LSOHIANLCHVLFL-IUCAKERBSA-N 283.328 -0.525 50 20 CBGD CCCNC(=O)CCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843975733 TVXRMLPDXCYYNT-UWVGGRQHSA-N 285.344 -0.135 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H]1CCCS1(=O)=O 847317265 RBPHFLAGDXNXRR-QMMMGPOBSA-N 262.331 -0.243 50 20 CBGD CCN(CC)C[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858278938 MBBFMAYISRJAFP-ZJUUUORDSA-N 299.375 -0.674 50 20 CBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cn[nH]c2)CN1C1CC1 858288969 STAYNDWPPBYKRI-SCZZXKLOSA-N 292.343 -0.021 50 20 CBGD CC(=O)N[C@@H](C(=O)NNC(=O)[C@H]1CCCCO1)C(C)C 861852951 MDQGEAFRZQWCKG-GHMZBOCLSA-N 285.344 -0.136 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1O 862452798 ZKAOFMLCDJUAHN-SECBINFHSA-N 277.280 -0.260 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc([N+](=O)[O-])cn2)N1 862457747 PQKGBIBQTUHWKA-QMMMGPOBSA-N 293.239 -0.971 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)NN2CCOC2=O)cn1 862704868 DKHQPEHYTGXDLN-RUDMXATFSA-N 261.241 -0.190 50 20 CBGD COC(=O)c1ccc(C=NNC(=O)CS(C)(=O)=O)o1 863187634 CZHGBXDOJCLCMF-UHFFFAOYSA-N 288.281 -0.439 50 20 CBGD CN(NC(=O)CN1CCCCS1(=O)=O)C1CC1 880345955 BWYCGKNAVAHBGA-UHFFFAOYSA-N 261.347 -0.463 50 20 CBGD C[C@H]1COCC1=NNC(=O)[C@@H]1CCS(=O)(=O)C1 884408705 PGXQHYIJHJCMTO-JGVFFNPUSA-N 260.315 -0.440 50 20 CBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=S)NC(C)(C)C 899995934 JWISZTFFIDJZHF-WDSKDSINSA-N 274.346 -0.223 50 20 CBGD O=C(CNC(=O)N1CCCC1)NNc1ncc(F)cn1 901239853 JOHYFOVPHYIDQQ-UHFFFAOYSA-N 282.279 -0.136 50 20 CBGD COCCCn1cc(C(=O)NN(C)C[C@H](C)O)cn1 910139230 IGJCGXNVVYDJER-JTQLQIEISA-N 270.333 -0.123 50 20 CBGD O=C(/C=C\c1cccnc1)NNC(=O)CN1CCCC1=O 913730142 IWFRAKSRUUFCPV-WAYWQWQTSA-N 288.307 -0.135 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O 919879488 HXBAJVWQGJUVFO-CRCLSJGQSA-N 282.222 -0.596 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2COC[C@H]2C)n1 925991211 MYCIKUXVIVOVFD-LDYMZIIASA-N 295.343 -0.135 50 20 CBGD Cc1c(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cnn1C 1118186590 HGKYXGWEQNLYQX-GXSJLCMTSA-N 295.343 -0.016 50 20 CBGD CC(=O)NNC(=O)Cc1ccc(S(N)(=O)=O)s1 1261252861 BEKUHELXHSYHDO-UHFFFAOYSA-N 277.327 -0.895 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1317708181 BQHXDXMQNBVITM-MRVPVSSYSA-N 285.325 -0.779 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccc(C#N)cn1 1318388355 TZEIYAHCOAAQMA-UHFFFAOYSA-N 277.284 -0.066 50 20 CBGD COC(=O)C(=O)NN[C@H](C(=O)OC)c1cccc(C#N)c1 1318971540 XKPDMEICFHGOKM-JTQLQIEISA-N 291.263 -0.434 50 20 CBGD CC(C)C(=O)NNC(=O)C(=O)Nc1c2c(nn1C)CCC2 1320348738 AMAJTTMZRKBAQB-UHFFFAOYSA-N 293.327 -0.349 50 20 CBGD C=Cn1cc(C=NNC(=O)Cc2cc(O)nc(O)n2)cn1 1321265821 ULRAXMOVBPUNGW-UHFFFAOYSA-N 288.267 -0.122 50 20 CBGD NC(=O)C1(C(=O)NNc2nc(-c3cccnc3)no2)CC1 1321730953 SKAOPYLYRGSOMW-UHFFFAOYSA-N 288.267 -0.160 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(C#N)[nH]1 1324332180 ALQQNOLVEPWJSK-UHFFFAOYSA-N 263.257 -0.828 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CSC[C@@H]1C 1326902897 VCBMMICJFGJYDP-WDSKDSINSA-N 261.303 -0.759 50 20 CBGD C[C@H](O)c1cn(CC(=O)NNc2ccncn2)nn1 1329043117 BYRCOXCDTXJOFG-ZETCQYMHSA-N 263.261 -0.735 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2conc2C2CC2)N1 1330109359 VHMJJJBHRRYSGH-QMMMGPOBSA-N 278.268 -0.408 50 20 CBGD COC(=O)CC1CC(=NNC(=O)CS(C)(=O)=O)C1 1331722950 NHGGCIJBLXEBFN-UHFFFAOYSA-N 276.314 -0.524 50 20 CBGD CC(C)n1cc(NC(=O)NNC(=O)CCO)cn1 1354501135 XBCOYGSJMYCUKM-UHFFFAOYSA-N 255.278 -0.001 50 20 CBGD CC[C@@H](CNC(=O)NNC(=O)c1cnn(C)c1)C(=O)O 1589539674 WRKCNZVLPXSRON-ZETCQYMHSA-N 283.288 -0.525 50 20 CBGD O=C(NNC(=O)[C@H]1CCCO1)Nc1ccc(C(=O)O)nn1 1601556247 SZPPIGXFRTYLBF-SSDOTTSWSA-N 295.255 -0.494 50 20 CBGD O=C(CCO)NN=Cc1ccc(-c2nn[nH]n2)o1 1606524500 VNXNYTQRHIDUBT-UHFFFAOYSA-N 250.218 -0.708 50 20 CBGD Cn1ncc(C(=O)O)c1C=NNC(=O)c1cccnn1 1776103243 ADPXAHQXFRLUPE-UHFFFAOYSA-N 274.240 -0.328 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCO1)C(=O)Nc1ccccc1 293297935 HVSOOIXNPBYIDV-JTQLQIEISA-N 277.280 -0.049 50 20 CBGD CNc1nc(C)cc(C(=O)NNC(=O)[C@@H]2CCCO2)n1 293959998 JPSFNQAPFKEODN-VIFPVBQESA-N 279.300 -0.233 50 20 CBGD COc1ccc2c(c1)C[C@@H](C(=O)NNC(=O)CO)CO2 363844979 JWJPAATZHYEUJV-SECBINFHSA-N 280.280 -0.614 50 20 CBGD O=C(CO)NNC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 368263646 LSZREHOVDFKIAJ-ACXUVZMJSA-N 268.313 -0.543 50 20 CBGD COCCOC[C@H](C)NC(=O)c1ccc(B(O)O)cc1 584951522 JFPXWJITKLNGGE-JTQLQIEISA-N 281.117 -0.852 50 20 CBGD C[S@](=O)C1(CNC(=O)c2cc(B(O)O)ccc2F)CC1 584986780 MRSNXTZHDVZPGR-FQEVSTJZSA-N 299.132 -0.854 50 20 CBGD C[C@H]1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)O1 584997327 APLOCKVCNNLHHJ-CABZTGNLSA-N 263.102 -0.336 50 20 CBGD COC[C@@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F 585009931 HNCDENUWGUVVAR-JTQLQIEISA-N 281.092 -0.244 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2[C@@H]3COC[C@H]3[C@H]2C1 585010752 YPGIBWFFFZNKIJ-XUXIUFHCSA-N 287.124 -0.669 50 20 CBGD C[C@@H](Cn1cnnc1)NCc1ccc(B(O)O)cc1 585029762 BTNFNICQAFPNIQ-JTQLQIEISA-N 260.106 -0.864 50 20 CBGD O=C(NCB(O)O)[C@H]1CCCN1C(=O)Cc1ccccc1 585056218 RIBODCMEXHJBAR-GFCCVEGCSA-N 290.128 -0.652 50 20 CBGD O=C(NNC(=O)c1cccnc1O)C(=O)N1CCCC1 748343697 RKALMTILHVIGDM-UHFFFAOYSA-N 278.268 -0.829 50 20 CBGD C[C@H](C(=O)NNC(=O)N1CCOCC1)c1cnn(C)c1 749933802 JJJLXWOIJCXAIX-VIFPVBQESA-N 281.316 -0.403 50 20 CBGD Cc1nnc(NNC(=O)CN(C)[C@@H]2CCSC2)nc1O 763524709 LNRUQUPBYXTDFQ-MRVPVSSYSA-N 298.372 -0.234 50 20 CBGD CCCNC(=O)NNS(=O)(=O)c1c(C)nn(C)c1C 775276215 SWGFODXLBKURGL-UHFFFAOYSA-N 289.361 -0.061 50 20 CBGD C[C@@H](C(=O)NNC(=O)C1CC1)[C@H](C)S(C)(=O)=O 788262021 ACGVMISOKKQPGM-RQJHMYQMSA-N 262.331 -0.387 50 20 CBGD COc1ccnc(NNC(=O)[C@H]2CC[C@@H]2C(N)=O)n1 816860515 OBDMNGPFQBUVPH-BQBZGAKWSA-N 265.273 -0.560 50 20 CBGD CC(C)NC(=O)CN(C)CC(=O)NNc1ncncc1F 817070885 MPRBZRCBVYULEC-UHFFFAOYSA-N 298.322 -0.485 50 20 CBGD CC(C)[C@H](NS(C)(=O)=O)C(=O)NN(C)C1CC1 819647006 HKTZQJYOLWQQSI-VIFPVBQESA-N 263.363 -0.314 50 20 CBGD CNc1nc(C)cc(C(=O)NN(C)[C@H](C)CO)n1 823928274 LYLCWQSODGHIAU-MRVPVSSYSA-N 253.306 -0.216 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H](C)NC(=O)c1ccoc1 823971136 PHWXUBGOPMALFT-DTWKUNHWSA-N 269.301 -0.258 50 20 CBGD CCC(F)(F)C(=O)NNC(=O)C(=O)N1CCCC1 824876611 CBTXLIZDGFXGMR-UHFFFAOYSA-N 263.244 -0.199 50 20 CBGD CCO[C@H]1C[C@@H]1C(=O)NNC(=O)c1cccnn1 828830525 RBRJTFQRHOHQGU-CBAPKCEASA-N 250.258 -0.337 50 20 CBGD C[C@@H]1COCCN1CCNS(=O)(=O)CCl 830395724 WAACZZXGBXCFPI-MRVPVSSYSA-N 256.755 -0.177 50 20 CBGD O=C(CN1CC[C@@H]2NCC[C@@H]2C1)NNC(=O)C1CC1 843388281 YLRHSZIBKKBLCL-MNOVXSKESA-N 266.345 -0.772 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843640826 PYYDMOAMTDEFRW-ZXFLCMHBSA-N 257.290 -0.917 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2nnnn2CC1)C1CCCC1 845192467 RXKNIRVQDIOWJW-JTQLQIEISA-N 292.343 -0.037 50 20 CBGD NS(=O)(=O)C1(C(=O)NNc2ncc(F)cc2F)CC1 846251228 FDGKNVZNGGMHKX-UHFFFAOYSA-N 292.267 -0.376 50 20 CBGD COC[C@@]1(CO)CCN(S(=O)(=O)CCl)C1 849397256 LUKKEPXOJFJIDQ-QMMMGPOBSA-N 257.739 -0.157 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@H]2CC[C@H]2C(N)=O)n1 857132522 IZCXCJZTUMYBIC-SFYZADRCSA-N 278.316 -0.503 50 20 CBGD CC[C@@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)OC 858471337 SYWWWMWCGDAMSQ-JGVFFNPUSA-N 272.305 -0.980 50 20 CBGD Cc1ccoc1CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862463529 GZEKAASHNGDMIB-QMMMGPOBSA-N 265.269 -0.443 50 20 CBGD O=C(COC[C@@H]1CCCO1)NNC(=O)c1cn[nH]c1 862472031 SNXOXENQYVGOGH-VIFPVBQESA-N 268.273 -0.634 50 20 CBGD COc1ncc(C=NNC(=O)[C@@H]2CCC(=O)N2)s1 863149602 CYHUVRNJLXRLSK-ZETCQYMHSA-N 268.298 -0.120 50 20 CBGD CCCC[C@@H](NC(=O)c1cccc(B(O)O)c1)C(=O)OC 863879450 SVSDTPNCBJOXIF-GFCCVEGCSA-N 293.128 -0.172 50 20 CBGD OB(O)[C@H]1CCN(c2cc(-n3ccnc3)ncn2)C1 864233787 MGALLDGOPIPGMU-VIFPVBQESA-N 259.078 -0.285 50 20 CBGD O=C(/C=C\CN1CCOCC1)NNC(=O)c1cc[nH]n1 869240009 VFZGCVVFQPOLNR-UPHRSURJSA-N 279.300 -0.941 50 20 CBGD COCCN1C[C@@H](C(=O)NNC(=O)C2CCCC2)CC1=O 914844154 NARGECADFRYQMU-NSHDSACASA-N 297.355 -0.181 50 20 CBGD CC(=NNC(=O)C(N)=O)c1cccc(OCC(=O)O)c1 916274298 KURFVMKENNQDQC-UHFFFAOYSA-N 279.252 -0.525 50 20 CBGD O=C(N[C@H](CO)C[C@H]1CCCO1)c1cccc(B(O)O)c1 923749761 RPGIXKOEJDKTQA-QWHCGFSZSA-N 293.128 -0.974 50 20 CBGD COC[C@@](C)(O)C(=O)NNc1nncc(N)c1Cl 1116298758 ZEUHKURTLFJPCR-SECBINFHSA-N 275.696 -0.447 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCCOC(C)(C)C 1261666621 WLPJPMFGEUPVPK-UHFFFAOYSA-N 275.305 -0.305 50 20 CBGD O=C(Cc1cccnc1)NNS(=O)(=O)c1cn[nH]c1 1318318424 NUARYUJZFQDMQS-UHFFFAOYSA-N 281.297 -0.643 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1cc(C(C)C)no1 1319003332 KUOWHRNVUVTVFA-UHFFFAOYSA-N 284.272 -0.199 50 20 CBGD O=C(C[C@H]1COC(=O)C1)NNC(=O)c1cccnc1 1319315212 ZXIBDCUKWBBSPU-MRVPVSSYSA-N 263.253 -0.204 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)Nc1ccccn1 1323351035 XUKNQYAZRGHKKW-IUCAKERBSA-N 292.295 -0.408 50 20 CBGD NC(=O)c1c[nH]c(C(=O)NNc2nc3ccccn3n2)c1 1324516326 IQXFOVPHAHQBQV-UHFFFAOYSA-N 285.267 -0.087 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)C1CCN(C2CC2)CC1 1325265854 XTTXSWYGQFCCCM-UHFFFAOYSA-N 291.355 -0.026 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H]1COC(=O)C1 1325725231 IJKISVVVKVSEQX-YUMQZZPRSA-N 286.284 -0.571 50 20 CBGD C[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)[C@@H]1CCOC1 1328700838 UBDKHCXYNBYCQI-HTQZYQBOSA-N 267.289 -0.221 50 20 CBGD CC(C)c1ncc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)[nH]1 1330107505 DHVGWCLPVNMTOC-SSDOTTSWSA-N 279.300 -0.427 50 20 CBGD COC(=O)N(C)NC(=O)N[C@@H]1CCN(C(C)=O)C1 1330523173 YVYRBFVUYUWKRX-MRVPVSSYSA-N 258.278 -0.480 50 20 CBGD Cc1conc1NC(=O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1332156949 LDJKYSPGNPTCAU-SFYZADRCSA-N 296.283 -0.506 50 20 CBGD O=C(CSc1n[nH]c(O)n1)NNC(=O)CC(F)(F)F 1334405732 RKYJWDBBFMOBNG-UHFFFAOYSA-N 299.234 -0.298 50 20 CBGD COC(=O)c1ncn(CC(=O)NNC(=O)C(C)(C)C)n1 1339511059 ABYLXDOBVGQJLJ-UHFFFAOYSA-N 283.288 -0.742 50 20 CBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNc1ncccn1 1518874570 NPNYQVYEJCABPE-UWVGGRQHSA-N 262.317 -0.692 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@H]1CCO[C@H]1CN 1575142647 YOWIHYFDEMNCDJ-YUMQZZPRSA-N 274.390 -0.356 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)n1C 1578238846 XRWUGVFYHVQRRG-UHFFFAOYSA-N 278.276 -0.831 50 20 CBGD NCCOCC(=O)NNc1cc(O)nc2ncccc12 1580312112 CSCTWJKFSBFUTO-UHFFFAOYSA-N 277.284 -0.246 50 20 CBGD CC(C)(C(=O)O)C(=O)NNC(=O)c1cccnc1 1588618535 NXHOLPOQWLUKBB-UHFFFAOYSA-N 251.242 -0.047 50 20 CBGD CN1C[C@H](O)C[C@]1(C)C(=O)NNc1ncccc1C(=O)O 1593773440 FYRPDDUSSHWRIF-AMIZOPFISA-N 294.311 -0.322 50 20 CBGD C[C@@H]1[C@H](C(=O)O)CCN1CC(=O)NNC(=O)C(C)(C)C 1594165668 FIEHFFXHLDSQIV-RKDXNWHRSA-N 285.344 -0.025 50 20 CBGD C[C@@H]1CC[C@H](C(=O)NNC(=O)[C@](C)(C#N)CC(=O)O)O1 1594215571 HGOBNWMVDQPATJ-RWYTXXIDSA-N 283.284 -0.294 50 20 CBGD CSc1ccccc1NC(=O)C(=O)NNC(=O)C(=O)O 1599825429 YAEFMNZVYNCFRI-UHFFFAOYSA-N 297.292 -0.421 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cncc(C(=O)O)c1 1604387103 RIGMPEVNDBONLW-ZETCQYMHSA-N 253.258 -0.263 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)CC[C@H]1C(=O)O 1607475279 IGMGRCGGLYIVAN-WCBMZHEXSA-N 283.328 -0.414 50 20 CBGD Cn1ncc(C(=O)O)c1C=NNC(=O)c1ncon1 1776105743 CRKVRGLZTYSIMN-UHFFFAOYSA-N 264.201 -0.735 50 20 CBGD CC(C)NC(=O)NNC(=O)c1cnc2n(c1=O)CCS2 49468515 UNHGPRGQTNLSSW-UHFFFAOYSA-N 297.340 -0.299 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)c1cccn1C 72785030 IQOCMOPBABHVSM-ZETCQYMHSA-N 252.274 -0.689 50 20 CBGD O=C(Cc1ccc(F)cc1F)NNC(=O)C(=O)NC1CC1 87005829 IBOSBNTVLIQZHC-UHFFFAOYSA-N 297.261 -0.067 50 20 CBGD CC(C)(C)C(=O)NNC(=O)Cn1nc2ccccn2c1=O 130842993 JRDZOJXBDWEAMI-UHFFFAOYSA-N 291.311 -0.311 50 20 CBGD Cc1cc(NNC(=O)Cn2nc3ccccn3c2=O)ncn1 181659700 MXUFYODWOKHLAQ-UHFFFAOYSA-N 299.294 -0.262 50 20 CBGD COC(=O)c1cccc(C(=O)NNC(=O)CN(C)C)c1 263918787 QDLLZQXMEDNYQH-UHFFFAOYSA-N 279.296 -0.204 50 20 CBGD COc1ccnc(NNC(=O)N[C@@H](C)C[S@](C)=O)n1 273575077 YKYXUNTXXHFUIE-IIYDVTGLSA-N 287.345 -0.122 50 20 CBGD CCN(C)S(=O)(=O)NNC(=O)c1cccc(C)n1 279899049 IUHYEQQALWSRPZ-UHFFFAOYSA-N 272.330 -0.179 50 20 CBGD C[C@H]1C[C@@H]1C(=O)NCCC(=O)Nc1cccc(B(O)O)c1 405002898 OOKRVPIOMVSQCV-CABZTGNLSA-N 290.128 -0.533 50 20 CBGD COC(=O)N(C)NC(=O)[C@H]1CCCS1(=O)=O 496796268 OKZCNQLFYZKKJV-ZCFIWIBFSA-N 250.276 -0.707 50 20 CBGD CC[C@@H](O)CCNC(=O)c1ccc(B(O)O)c(F)c1 584960542 RIKINEXJKGNMRU-SECBINFHSA-N 269.081 -0.604 50 20 CBGD C=CCO[C@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584973079 LGMMMRKENXYGOV-NSHDSACASA-N 293.103 -0.077 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CC(OC(F)F)C1 584983105 KOGKGGCYPHJRSU-UHFFFAOYSA-N 289.018 -0.431 50 20 CBGD C[C@H]1COCC[C@H]1CNC(=O)c1cc(B(O)O)ccc1F 584989621 RFPPBBHKFJLOPB-UWVGGRQHSA-N 295.119 -0.092 50 20 CBGD CCN(C[C@@H](C)OC)C(=O)c1cccc(B(O)O)c1 584993110 VZGOHOFEDDBCFA-SNVBAGLBSA-N 265.118 -0.137 50 20 CBGD Cc1nnc(CNCc2ccc(B(O)O)o2)s1 585035259 QNVPBKUNJOXSSK-UHFFFAOYSA-N 253.092 -0.591 50 20 CBGD COC[C@H](NCc1ccc(B(O)O)o1)[C@@H]1CCCO1 585038418 DOFFPBJAEBOALC-QWRGUYRKSA-N 269.106 -0.757 50 20 CBGD CCCN1C[C@H](CNCc2ccccc2B(O)O)CC1=O 585048199 KTIPABBFPHVFJV-LBPRGKRZSA-N 290.172 -0.286 50 20 CBGD OB(O)c1ccc(-c2noc([C@@]3(O)CCOC3)n2)cc1 585052287 XOZRGAVVSDALKC-GFCCVEGCSA-N 276.057 -0.976 50 20 CBGD O=S(=O)(C[C@H]1CCCO1)N1CC[C@@H](B(O)O)C1 585057871 MNJIBNISJYTDGB-RKDXNWHRSA-N 263.124 -0.956 50 20 CBGD CCc1nc(C(=O)NCB(O)O)nn1-c1ccccc1F 585059904 GCUDIXFPGAGCSI-UHFFFAOYSA-N 292.079 -0.289 50 20 CBGD O=C(CC[C@@H]1CCCCO1)NNC(=O)C(=O)NC1CC1 732052689 RVCUHMQXQDZULQ-JTQLQIEISA-N 283.328 -0.238 50 20 CBGD C[C@H](C(=O)NNC(=O)c1ccncc1)N1CCN(C)CC1 732913135 VIWAFKXVDRCSSM-LLVKDONJSA-N 291.355 -0.522 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1C[C@@H]1C(=O)O 737763085 VITZFPBOIXJDKJ-RQJHMYQMSA-N 259.262 -0.926 50 20 CBGD O=C(CN1CCC[C@H](C(=O)O)C1)NNC(=O)C1CC1 738465644 JHMDTHGIRWUOBU-VIFPVBQESA-N 269.301 -0.660 50 20 CBGD COC[C@H](NC(=O)NNC(=O)C(=O)NC1CC1)C1CC1 750445070 CVVGAJDVAAYUFD-VIFPVBQESA-N 284.316 -0.980 50 20 CBGD CCCNC(=O)CCCC(=O)NNC(=O)Cc1cc[nH]n1 755270868 VSFGDFXSYLRJJQ-UHFFFAOYSA-N 295.343 -0.204 50 20 CBGD COCCn1ccc(NC(=O)NNC(=O)COC)n1 756312192 XVKDLEMCOYMTHW-UHFFFAOYSA-N 271.277 -0.671 50 20 CBGD C[C@H](NC(=O)NNC(=O)C(=O)NC1CC1)C1CCC1 756733757 LGHYTCNGVPRPAT-ZETCQYMHSA-N 268.317 -0.216 50 20 CBGD CNC(=O)C1(C(=O)NNc2nccnc2OC)CCC1 764464675 QQKYLPDRMAKTHI-UHFFFAOYSA-N 279.300 -0.155 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cc2nn[nH]c2cc1F 768245068 QYBHPMUQXJPURY-UHFFFAOYSA-N 281.247 -0.371 50 20 CBGD C[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)C(C)(C)O 768260406 WFZDFJBQWDDXMM-IUCAKERBSA-N 257.334 -0.223 50 20 CBGD C[C@H]1c2nncn2CCN1CC(=O)NNC(=O)C(C)(C)C 792381016 VOAXUOXFRQHGSH-VIFPVBQESA-N 294.359 -0.152 50 20 CBGD Cc1cccc(C(=O)NNC(=O)Cn2cncn2)n1 794086714 VWVLKHXJPRIIJY-UHFFFAOYSA-N 260.257 -0.557 50 20 CBGD CCNC(=O)N(C)NC(=O)C1(OC)CCOCC1 803074567 DKXUJEZIEKWPND-UHFFFAOYSA-N 259.306 -0.126 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCc2n[nH]cc2C1 823940264 VTNMGDMAMTYWPM-BDAKNGLRSA-N 252.318 -0.142 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CN1C(=O)c2ccccc2C1=O 823992884 FGCGZKLIFHDPHV-VIFPVBQESA-N 291.307 -0.374 50 20 CBGD COC(=O)C1(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1 826542139 JFUJKFOXQAKRJW-DTWKUNHWSA-N 299.327 -0.305 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CCc2ccccc2O1 839720853 LJIMVJVOJQAWQD-SNVBAGLBSA-N 250.254 -0.480 50 20 CBGD COC(=O)CNC(=O)NN=C(C)C[C@H]1CCCC(=O)N1 841634445 TXLUZPCNFPSAIN-SECBINFHSA-N 284.316 -0.107 50 20 CBGD O=C(CCc1ccccc1)NNC(=O)NC1CNC1 841951292 MQPLUABWXLJOEF-UHFFFAOYSA-N 262.313 -0.079 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H]1[C@@H](C)CCN[C@@H]1C 842476881 VLQHFWJDMHMPSP-MIZYBKAJSA-N 270.377 -0.092 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](O)C(C)(C)C 843977069 FMJMSSPOOZBFRZ-CIUDSAMLSA-N 258.318 -0.034 50 20 CBGD C=C[C@@H](C)ONC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 845637641 CZBIJAWSSQUHKG-SCZZXKLOSA-N 277.346 -0.127 50 20 CBGD CC[C@@H]1COCC1=NNC(=O)[C@H]1CCS(=O)(=O)C1 853285573 WUFQLOCHLGQPQY-BDAKNGLRSA-N 274.342 -0.050 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](O)C2CC2)cc1 854260007 FTDRYCXAOKTDJX-NSHDSACASA-N 291.307 -0.148 50 20 CBGD CCn1cnc(C(=O)NNC(=O)N2CCN(C)CC2)c1 854380993 BPRRGUBTUDTWCP-UHFFFAOYSA-N 280.332 -0.495 50 20 CBGD COc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)CO)cc1 857169602 JHVDFRZCYJZBRH-WDEREUQCSA-N 264.281 -0.062 50 20 CBGD COC[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)C1CC1 858311827 OEEINADAITXAAG-SECBINFHSA-N 267.289 -0.221 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1CCNC1 861708446 GOWRNUQVJPEORD-BDAKNGLRSA-N 256.306 -0.752 50 20 CBGD CCCc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)no1 862461152 NXTOEXNPFFCCQH-MRVPVSSYSA-N 280.284 -0.333 50 20 CBGD CN(C(=O)c1cccc(B(O)O)c1)[C@@H]1CC(C)(C)OC1=O 863882533 LMLDPUWNGGXGNG-LLVKDONJSA-N 291.112 -0.468 50 20 CBGD OCC[C@H](NCc1ccccc1B(O)O)C(F)(F)F 895886289 TTWJHVQOQJUDSU-JTQLQIEISA-N 277.051 -0.231 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)CC1 908054852 JWOFBXWZONIUKS-INTQDDNPSA-N 280.328 -0.800 50 20 CBGD COc1cc(CCC(=O)NN(C)C[C@@H](C)O)on1 910138465 IOXCJRBWUIOOFK-MRVPVSSYSA-N 257.290 -0.040 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CCCCN1CCOCC1 910151966 HWSRQDUIJKMLIJ-GFCCVEGCSA-N 273.377 -0.167 50 20 CBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)c1cccn1C 929436864 VPRJGGCGFQRJAC-RKDXNWHRSA-N 279.296 -0.015 50 20 CBGD O=C(NNC(=S)NCC(F)(F)F)C(=O)NC1CC1 1115933717 DBVKUWOOVWYETC-UHFFFAOYSA-N 284.263 -0.677 50 20 CBGD Cc1nnc(NNC(=O)[C@@H]2CCO[C@@H]2C)nc1O 1116457111 HOKCHLUEYVOPPK-RNFRBKRXSA-N 253.262 -0.246 50 20 CBGD Cc1nc(CC(=O)NNC(=O)Cc2ccncc2)n[nH]1 1118714828 IOBJCVVJMJEXCP-UHFFFAOYSA-N 274.284 -0.559 50 20 CBGD Cc1noc2ncc(S(=O)(=O)NNC(=O)N(C)C)cc12 1318346007 QTLMHYKBFZVIGI-UHFFFAOYSA-N 299.312 -0.004 50 20 CBGD CC(=O)NNS(=O)(=O)c1cn(C)c(Cl)n1 1320403954 PTQGAPAWYVEXKN-UHFFFAOYSA-N 252.683 -0.597 50 20 CBGD COC(=O)c1cc(C(=O)NN(C)C(N)=O)ccn1 1320526636 MAKIJVBOSFIMJT-UHFFFAOYSA-N 252.230 -0.477 50 20 CBGD CN(NC(=O)c1ccc(F)c(S(C)(=O)=O)c1)C(N)=O 1321983621 OMRPOPZNUWDBAX-UHFFFAOYSA-N 289.288 -0.116 50 20 CBGD Cc1csc(NC(=O)C(=O)NNC(=O)C2CC2)n1 1323941097 LHNCOQFHVTYUET-UHFFFAOYSA-N 268.298 -0.053 50 20 CBGD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NN 1326027764 UWSYVUISTDYBIM-UHFFFAOYSA-N 276.300 -0.632 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1nncn1C 1328793747 OWEBXTAQAXNZDL-MRVPVSSYSA-N 268.321 -0.807 50 20 CBGD CCN(CCO)NC(=O)[C@H](C)CS(C)(=O)=O 1329862320 MBBIEAROKGWWMW-MRVPVSSYSA-N 252.336 -0.988 50 20 CBGD C[C@H](O)CN(C)NC(=O)Cn1ncc2ccccc2c1=O 1334996657 JSEHTUXJPZNRSE-JTQLQIEISA-N 290.323 -0.260 50 20 CBGD CCCNC(=O)[C@H](C)NC(=O)c1ccc(B(O)O)cc1 1337518098 XADUMRHMBWIDKZ-VIFPVBQESA-N 278.117 -0.989 50 20 CBGD O=C(NN=Cc1cnc[nH]1)[C@H]1CN2CCC[C@@H]2CO1 1549319290 TUVHMNIYNURQDJ-GHMZBOCLSA-N 263.301 -0.277 50 20 CBGD CO[C@@H]1CN[C@](C)(C(=O)NNC(=O)c2cccn2C)C1 1573960220 HJEITUJUFBHIDX-ZANVPECISA-N 280.328 -0.447 50 20 CBGD CNC(=O)NNC(=O)C1(C2(O)CCNCC2)CCC1 1578557513 IZRVDTVWYHHADV-UHFFFAOYSA-N 270.333 -0.769 50 20 CBGD O=C(Cc1n[nH]c2ccccc12)NNC(=O)[C@H]1CCN1 1580577610 FYQQCQRLLWTGQG-SNVBAGLBSA-N 273.296 -0.385 50 20 CBGD O=C(NNC(=O)[C@H]1CCN1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 1580736594 YTIWNMFQUZCKLH-UYXSQOIJSA-N 251.286 -0.889 50 20 CBGD O=C(NNC(=O)c1ccc[nH]1)C1=NO[C@]2(CCNC2)C1 1580737221 MOJQXKVIJYRWGG-GFCCVEGCSA-N 277.284 -0.716 50 20 CBGD O=C(CC1CC1)NNC(=O)c1ccnc(-c2nn[nH]n2)c1 1592813638 RNDOPXXVHPFTDF-UHFFFAOYSA-N 287.283 -0.177 50 20 CBGD O=C(O)Cn1cc(C(=O)NN=c2cc[nH]cc2F)nn1 1595143716 RNTANFLLAOUXPH-UHFFFAOYSA-N 280.219 -0.924 50 20 CBGD O=C(CCNC(=O)NNC(=O)C(=O)O)Nc1ccccc1 1601277258 ARVAFMMDNOVYET-UHFFFAOYSA-N 294.267 -0.570 50 20 CBGD O=C(N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1)c1ccc(B(O)O)cc1 1601575267 BPBLRSLWJMMSAH-PUYPPJJSSA-N 289.096 -0.651 50 20 CBGD CC(C)(C)[C@@H](C(=O)O)C(=O)NNC(=O)C(=O)NC1CC1 1602852193 ICCGOGMSWJVDAM-SSDOTTSWSA-N 285.300 -0.841 50 20 CBGD COC(=O)C(=O)NN[C@@H](C(=O)O)c1ccc(F)cc1 1610149490 IVDLALDFAPBYCR-MRVPVSSYSA-N 270.216 -0.255 50 20 CBGD CCCCNC(=O)NNC(=O)C1=NN(C)C(=O)CC1 49128280 GTOQBOBTTUPKRO-UHFFFAOYSA-N 269.305 -0.275 50 20 CBGD CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1 49377502 NZWNQZHVMLPDMZ-UHFFFAOYSA-N 280.284 -0.127 50 20 CBGD CN(C)c1cc(C(=O)NNC(=O)c2cnn(C)c2)ccn1 109311335 GWJMJHWAUQLLFG-UHFFFAOYSA-N 288.311 -0.044 50 20 CBGD COC(=O)CCNS(=O)(=O)CBr 127216826 RWYRBUJYHJPRKM-UHFFFAOYSA-N 260.109 -0.179 50 20 CBGD Cn1nnc2cc(C(=O)NNC(=O)c3ccncc3)cnc21 159857965 TXJDGFXLPZKBLP-UHFFFAOYSA-N 297.278 -0.167 50 20 CBGD Cc1ccc(C(=O)NNC(=O)Cn2cnnn2)o1 175827817 KMIAOYLZTPMGLX-UHFFFAOYSA-N 250.218 -0.964 50 20 CBGD O=C(NNC(=O)C(=O)NCc1ccc(F)cc1)NC1CC1 266126386 XKCVNOVRPHZAJJ-UHFFFAOYSA-N 294.286 -0.065 50 20 CBGD CN1C[C@@H](NS(=O)(=O)CBr)CC1=O 307418466 XJEFWNPIZFOLHE-YFKPBYRVSA-N 271.136 -0.511 50 20 CBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(N)=O 494300816 WWRKWHBRZGJURI-UHFFFAOYSA-N 260.294 -0.009 50 20 CBGD COC(=O)N(C)NC(=O)C(C)(C)N1CCOCC1 495624645 GNQQFMQCRIUKLY-UHFFFAOYSA-N 259.306 -0.173 50 20 CBGD CCN(C(=O)COc1ccc(B(O)O)cc1)C1CC1 584910414 ZSRIRQZDADHGFY-UHFFFAOYSA-N 263.102 -0.244 50 20 CBGD CCc1nc([C@H](C)NC(=O)c2ccc(B(O)O)cc2)n[nH]1 584969604 WLASMEVWPMRWJS-QMMMGPOBSA-N 288.116 -0.462 50 20 CBGD O=C(NC[C@@H](CO)C1CCC1)c1ccc(B(O)O)cc1 584988910 VGZWGJMERHHAKQ-LBPRGKRZSA-N 277.129 -0.495 50 20 CBGD COC[C@H](C)[C@@H](C)NC(=O)c1cccc(B(O)O)c1 584992647 QOKOYGQRWMBIRE-VHSXEESVSA-N 265.118 -0.233 50 20 CBGD C[C@@H](CNC(=O)c1cccc(B(O)O)c1)CN(C)C 584992874 SEJMSKVXEVXZDU-JTQLQIEISA-N 264.134 -0.706 50 20 CBGD C[C@H]1[C@H](N(C)C)CCN1C(=O)c1cccc(B(O)O)c1 584993144 UCSQXRWSUAESDD-GXFFZTMASA-N 276.145 -0.469 50 20 CBGD C[C@@H](CCO)N(C)C(=O)c1ccc(B(O)O)c(F)c1 585004469 FRZXYMBLUGTYSC-QMMMGPOBSA-N 269.081 -0.652 50 20 CBGD C[C@H](CCCO)CNCc1cccc(B(O)O)c1 585042856 FDACHVPGQONKJQ-LLVKDONJSA-N 251.135 -0.135 50 20 CBGD CCS(=O)(=O)Cc1nc(-c2ccc(B(O)O)cc2)no1 585050625 FCBKOTRATYNGDZ-UHFFFAOYSA-N 296.113 -0.649 50 20 CBGD O=C(CSc1ccc([N+](=O)[O-])cc1)NCB(O)O 585055710 DDYYSBYDWRSDBG-UHFFFAOYSA-N 270.075 -0.185 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc2c(c1)nnn2C 729348929 VSHCAYHXOADVFN-UHFFFAOYSA-N 262.273 -0.116 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H](C)CN1CCOCC1 731280100 GLFNZHQZUISJNM-SNVBAGLBSA-N 288.348 -0.926 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCCNC(=O)C2CC2)cn1 735473032 KJXWNCKIXFSWLI-UHFFFAOYSA-N 293.327 -0.513 50 20 CBGD CCCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)nc1 736487150 DKXLBYKGVBYMPA-UHFFFAOYSA-N 290.287 -0.384 50 20 CBGD Cn1ccc(C(=O)NNC(=O)N2CCOCC2)c1 763312256 KYXIJQACCNNOHI-UHFFFAOYSA-N 252.274 -0.288 50 20 CBGD COc1ncc(C(=O)NNC(=O)c2cc(C)[nH]n2)cn1 765588283 UAKVVGJZPGIMLL-UHFFFAOYSA-N 276.256 -0.408 50 20 CBGD CN(NC(=O)c1cc(-n2cccn2)ccn1)C(N)=O 770438502 ZMHOAYIWTUGPIE-UHFFFAOYSA-N 260.257 -0.077 50 20 CBGD CC(C)C(=O)NNC(=O)NCc1nnnn1CC1CC1 770498497 AHMKLSPMGIJTGA-UHFFFAOYSA-N 281.320 -0.431 50 20 CBGD CNC(=O)NNC(=O)c1cc(O)cc([N+](=O)[O-])c1 772367434 CBXHZYHEPDCMFY-UHFFFAOYSA-N 254.202 -0.126 50 20 CBGD COC(=O)[C@H]1C[C@H](C)CCN1CC(=O)NNC(=O)C1CC1 775807360 RPARKTHBBHLYMS-MWLCHTKSSA-N 297.355 -0.183 50 20 CBGD CN(NC(=O)[C@H]1CCCN1S(C)(=O)=O)C1CC1 819643646 IQVPBULRWODJJR-SECBINFHSA-N 261.347 -0.464 50 20 CBGD COCCS(=O)(=O)CC(=O)NCCCSC#N 819699317 ZNMYCPKSBHYQPU-UHFFFAOYSA-N 280.371 -0.232 50 20 CBGD O=C1C[C@H](C(=O)NNc2ccc(C(F)(F)F)nn2)N1 831157915 RKKSHHLEORRTPO-SCSAIBSYSA-N 275.190 -0.173 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)[C@@H]1CCCCO1 833251333 VWWZBCLVFHZSQV-RYUDHWBXSA-N 279.340 -0.200 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843655716 WFBGAQJFUXCUGP-VGMNWLOBSA-N 292.357 -0.761 50 20 CBGD CCONC(=O)CNC(=O)NNC(=O)CC(C)C 845552828 KJCMVADLILGTGW-UHFFFAOYSA-N 260.294 -0.569 50 20 CBGD CN1C(=O)CC[C@H]1CC(=O)NNC(=O)c1ccccn1 854122623 RIMVDNANBDEBPJ-VIFPVBQESA-N 276.296 -0.147 50 20 CBGD COCCCNC(=S)N(C)NC(=O)CCOC 854281066 OJVOOYLWULKYOG-UHFFFAOYSA-N 263.363 -0.103 50 20 CBGD CCOC(=O)C1(C(=O)NN(C)C(=S)NC)CC1 854924347 HZYHTPHRBIMKDZ-UHFFFAOYSA-N 259.331 -0.203 50 20 CBGD COC(=O)NCC(=O)NNC(=S)NCC1CCC1 855092220 VOSCFWHFLOSMGN-UHFFFAOYSA-N 274.346 -0.362 50 20 CBGD CC(=O)N[C@H](C(=O)NNC(=O)c1cc[nH]n1)C1CCCC1 855361702 HNGWBZHYXBFZKW-NSHDSACASA-N 293.327 -0.134 50 20 CBGD O=C(NNc1ncc(Cl)cn1)[C@]1(O)CCOC1 857730038 KMTHUDKMRQJXRB-VIFPVBQESA-N 258.665 -0.276 50 20 CBGD O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCNC1 861705627 NUGFHUQXTJFGLK-SECBINFHSA-N 293.283 -0.099 50 20 CBGD O=C(N[C@@H]1CCN(CC(F)F)C1)c1ccc(B(O)O)cc1 863884254 FBBBWDUZZOJODS-LLVKDONJSA-N 298.098 -0.564 50 20 CBGD Cc1cc(=NNC(=O)NC[C@H]2CNC(=O)C2)cc[nH]1 875664798 CZXZCKRXSUROFV-SECBINFHSA-N 263.301 -0.426 50 20 CBGD COC[C@@H](CS(=O)(=O)NN(C)C(=O)OC)OC 882184111 LCSMSXHRCZIYLX-ZETCQYMHSA-N 270.307 -0.820 50 20 CBGD CCOCCOCCNC(=O)c1ccc(B(O)O)cc1 885748785 BXCIRYIHEUADIM-UHFFFAOYSA-N 281.117 -0.851 50 20 CBGD C#CCSCC(=O)NNC(=O)C(=O)N1CCCC1 896015826 YHEDTQQRWBCUTO-UHFFFAOYSA-N 269.326 -0.877 50 20 CBGD C=CC(=O)N(CC)CC(=O)NNC(=O)NCC(F)(F)F 907968276 UYCOBWTTXAPKRE-UHFFFAOYSA-N 296.249 -0.086 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 910152481 MBRCEZUAQPARFS-IVZWLZJFSA-N 257.334 -0.378 50 20 CBGD Cc1nc(SCCC(=O)NN(C)C[C@H](C)O)n[nH]1 910164661 XKVYHNRYJXXZHC-ZETCQYMHSA-N 273.362 -0.061 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CNC(=O)Cc1cccc(F)c1 910171396 VRJAKXXJDRHIIM-SNVBAGLBSA-N 297.330 -0.172 50 20 CBGD C[C@H](NC(=S)NNC(=O)CCC(N)=O)C1CC1 912161175 QKCWRHGJDJYBEY-LURJTMIESA-N 258.347 -0.454 50 20 CBGD C#Cc1cncc(C(=O)NNC(=O)CN2CCCC2=O)c1 913732993 RIVMRQORQSVPEL-UHFFFAOYSA-N 286.291 -0.554 50 20 CBGD CN1CC[C@@H]2CC[C@H](C1)N2CC(=O)NNC(=O)C1CC1 931722924 JAOYHBSDLPXLDP-NWDGAFQWSA-N 280.372 -0.288 50 20 CBGD Cc1nccc(CCC(=O)NNC(=O)C(=O)NC(C)C)n1 1117698527 IPKBMFRPIOOYBC-UHFFFAOYSA-N 293.327 -0.610 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2scnc2Cl)N1 1118883854 LFALMNZTEIVLSW-SCSAIBSYSA-N 288.716 -0.164 50 20 CBGD CC(C)(C)C(=O)NNC(=O)[C@@H]1CSCC(=O)N1 1119931861 NWGBXZLGOPCZIV-LURJTMIESA-N 259.331 -0.589 50 20 CBGD CCN(CC(OC)OC)C(=O)c1cccc(B(O)O)c1 1123991705 MMEGXYFGSKPPNY-UHFFFAOYSA-N 281.117 -0.553 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1262629470 AWVOGQNBWPPTEZ-HHHUOAJASA-N 298.339 -0.390 50 20 CBGD NS(=O)(=O)c1cc(C=NNC(=O)CCO)ccc1F 1323616687 BQVNMOCYSUQNPN-UHFFFAOYSA-N 289.288 -0.694 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C1CCC1 1324392815 WONGTUKHGNWUQU-SECBINFHSA-N 263.301 -0.212 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 1330107604 GNVGNRDVWOTEBA-IWSPIJDZSA-N 269.301 -0.773 50 20 CBGD NC(=O)c1ccc(NNC(=O)Cc2ccc(F)cn2)nn1 1331109392 GGOMEUHQCWKYKC-UHFFFAOYSA-N 290.258 -0.205 50 20 CBGD Cc1nc(C)c(C(=O)NNC(=O)C(=O)N2CCCC2)[nH]1 1333984399 GCAYPDGGWGGJHQ-UHFFFAOYSA-N 279.300 -0.590 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H]1CN2CCN1C[C@H]2C 1520824252 HTKPSHRJVNJVKY-MNOVXSKESA-N 283.376 -0.495 50 20 CBGD Cc1nc2ccccn2c1C(=O)NNC(=O)C1(N)CC1 1574193317 TVUHEALHDBOJRA-UHFFFAOYSA-N 273.296 -0.105 50 20 CBGD CCCNC(=O)NNC(=O)CCNC(=O)[C@@H](N)C(C)C 1577545274 QIDNTSLEBYZHTP-JTQLQIEISA-N 287.364 -0.784 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CCCCC1)c1cnn[nH]1 1605814615 KOMLGKDSULPPFH-UHFFFAOYSA-N 281.272 -0.399 50 20 CBGD O=C(NNC(=O)C1CCNCC1)N[C@H]1CC=C(C(=O)O)C1 1608477011 DWAJLKNIDNMEJZ-JTQLQIEISA-N 296.327 -0.510 50 20 CBGD O=C(CCc1ccco1)NNC(=O)C(=O)NC1CC1 49982380 STZVYUQWUCHYJF-UHFFFAOYSA-N 265.269 -0.362 50 20 CBGD CCN1C[C@@H](C(=O)NNc2ncc(F)cn2)CC1=O 122964297 SRXCTRFZVQUWQL-ZETCQYMHSA-N 267.264 -0.073 50 20 CBGD Cc1cc(C(=O)NNC(=O)C2CCOCC2)[nH]n1 153078054 ITNBPOPHCFOFEP-UHFFFAOYSA-N 252.274 -0.094 50 20 CBGD COCCS(=O)(=O)NNC(=O)c1ccc(C)cc1O 265636373 OOLZGFMYJSAOFQ-UHFFFAOYSA-N 288.325 -0.089 50 20 CBGD CN1CCC[C@H]1C(=O)NNC(=O)Cc1ccncc1 267029943 YHDUARZNAQLFGP-NSHDSACASA-N 262.313 -0.134 50 20 CBGD O=C(NNC(=O)C1CCC1)c1cc2n(n1)CCO2 289879846 ANLHHEOLIJERLA-UHFFFAOYSA-N 250.258 -0.163 50 20 CBGD O=C(CC1CC1)NNC(=O)c1cc([N+](=O)[O-])[nH]n1 294150060 MHEOCQVGIMFUBY-UHFFFAOYSA-N 253.218 -0.121 50 20 CBGD C[C@@H]1COCC[C@H]1C(=O)Nc1cccc(B(O)O)c1 405028739 NHHLLFPFSYGASS-BXKDBHETSA-N 263.102 -0.023 50 20 CBGD O=C(NC1CCS(=O)CC1)c1ccc(B(O)O)cc1 584968868 GJPRQMGZESFOLJ-UHFFFAOYSA-N 281.142 -0.993 50 20 CBGD COCC1=CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584977162 NGACOXHXKHENOH-UHFFFAOYSA-N 275.113 -0.215 50 20 CBGD C[C@H](CNC(=O)c1ccc(B(O)O)cc1)CN(C)C 584993432 YMRJDNBKSFRQBM-SNVBAGLBSA-N 264.134 -0.706 50 20 CBGD CC[C@H](NC(=O)c1cccc(B(O)O)c1)C(C)(C)O 584994242 FUEXGBPFOCZVAC-NSHDSACASA-N 265.118 -0.354 50 20 CBGD OB(O)c1ccc(CNCCC2CCOCC2)o1 585022932 DGZRPUVAEUPKDG-UHFFFAOYSA-N 253.107 -0.134 50 20 CBGD CC(C)(O)C(=O)OCC(=O)NNC(=O)c1cccs1 725932382 GXTXGROYKSQEFX-UHFFFAOYSA-N 286.309 -0.177 50 20 CBGD CNC(=O)NNC(=O)c1cccc2c1O[C@H](C)C(=O)N2 729341243 OVNKUKYEXFKTHI-ZCFIWIBFSA-N 278.268 -0.020 50 20 CBGD C#Cc1ccc(C(=O)NNC(=O)c2cnn(C)c2)cn1 735446012 OZTRPSJTOLXBPL-UHFFFAOYSA-N 269.264 -0.129 50 20 CBGD CCNC(=O)CNC(=O)NNC(=O)c1ccc(C#N)cc1 747298854 HXDISEOKNDBURA-UHFFFAOYSA-N 289.295 -0.362 50 20 CBGD C[C@H](NC(=O)C(C)(C)C)C(=O)NNc1nccn(C)c1=O 747942122 WOCVVXZXRPNSRU-QMMMGPOBSA-N 295.343 -0.226 50 20 CBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)CO 753445852 UGDLDESCOKQARO-UHFFFAOYSA-N 276.296 -0.262 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CCC=CO1 755263603 QDNLKMRGWIKXOG-SECBINFHSA-N 250.258 -0.208 50 20 CBGD O=C(CO)NNC(=O)Nc1cccc(N2CCOC2=O)c1 755736728 IKQBSOSJYSPFGO-UHFFFAOYSA-N 294.267 -0.212 50 20 CBGD CC(C)[C@@H](C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758047876 OKSNOIMKRHNDDP-HTQZYQBOSA-N 279.362 -0.636 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1OC 764299409 DTDUCBVEDYYBCT-UHFFFAOYSA-N 295.295 -0.264 50 20 CBGD Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)CO)cc21 764421683 QIVIXBQOQDEETB-UHFFFAOYSA-N 290.279 -0.744 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=S)NCCSC 770245161 DCZBSPBFHNEIIS-VIFPVBQESA-N 281.403 -0.758 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@@H]2CCN(C)C2=O)nc1 773518270 SMSMKSCLJLXIMS-VIFPVBQESA-N 292.295 -0.210 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CC(=O)N(C)C[C@@H]1C 782579509 GOWUIAPGSTVXQE-QWRGUYRKSA-N 298.387 -0.269 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCc2nccn2C1 787996407 YMGYWIQQPRAUDR-SECBINFHSA-N 265.317 -0.846 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)C2CCCC2)C1 788431846 LTSAWGSFJRQSEX-UHFFFAOYSA-N 253.302 -0.198 50 20 CBGD COC(=O)CNC(=O)NN=C(C)c1ccc(O)nn1 790174221 QJRBIZVWXZVMEH-UHFFFAOYSA-N 267.245 -0.622 50 20 CBGD COc1cncc(C(=O)NNC(=O)c2cnn(C)c2)n1 790655774 NSZNYEHIZKGJSD-UHFFFAOYSA-N 276.256 -0.707 50 20 CBGD CC(=NNC(=O)CO)c1cc(S(N)(=O)=O)c(C)cc1C 794527062 UGTCBGRGINYXSR-UHFFFAOYSA-N 299.352 -0.217 50 20 CBGD C=CCNC(=S)NNC(=O)Cc1ccn(C)n1 798305710 BOCVXNMISNXJKD-UHFFFAOYSA-N 253.331 -0.356 50 20 CBGD C[C@H](NC(=O)NNc1ncncc1F)[C@@H]1CN(C)CCO1 814313587 CROJGIXTPVEOSY-WPRPVWTQSA-N 298.322 -0.039 50 20 CBGD COC(=O)CNC(=O)NN=Cc1ccc(C(=O)OC)n1C 814900949 PHPNAQSMVJNFQD-UHFFFAOYSA-N 296.283 -0.382 50 20 CBGD CC(C)N(C[C@H](O)CO)S(=O)(=O)CBr 817150777 NTJCXHTUDPXIMG-ZETCQYMHSA-N 290.179 -0.268 50 20 CBGD CN(NC(=O)c1cc(N2CCNC(=O)C2)ccn1)C1CC1 819650968 AYLMDZWYZGSUFN-UHFFFAOYSA-N 289.339 -0.243 50 20 CBGD CC(C)C(=O)NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 820010609 AQMIXFZCXMDZSB-UHFFFAOYSA-N 263.261 -0.388 50 20 CBGD CC(C)C(=O)NNC(=O)c1cc(-c2nn[nH]n2)cn1C 820011419 MGPPNQBCRPNIBJ-UHFFFAOYSA-N 277.288 -0.378 50 20 CBGD CO[C@H](C)CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 821718242 KAGUXKSUTIJMSZ-SCZZXKLOSA-N 279.362 -0.598 50 20 CBGD CC(=O)N[C@H](CC(C)C)C(=O)NN(C)[C@@H](C)CO 823907076 HMGMHUHDWOLKSN-GXSJLCMTSA-N 259.350 -0.119 50 20 CBGD C[C@@H](CO)N(C)NC(=O)COCc1ccnn1C 823922440 KUGITTVBPOBDJX-VIFPVBQESA-N 256.306 -0.720 50 20 CBGD NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 825639136 KWPYLOPELPBDRM-UWVGGRQHSA-N 253.302 -0.583 50 20 CBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1ccccn1 826445107 HDXIFOOGSUXLLM-UHFFFAOYSA-N 298.266 -0.335 50 20 CBGD C#C[C@@H](NCC(=O)NNC(=O)C(C)C)[C@@H]1CCCO1 828953921 MQDODQNRNVYBJU-MNOVXSKESA-N 267.329 -0.440 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NCC(F)(F)CN 841971079 KPGMPJZPDCTEJW-UHFFFAOYSA-N 252.265 -0.043 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](CNC)C1 843346809 QQOCTFNHBPQSCL-QWRGUYRKSA-N 270.377 -0.136 50 20 CBGD COc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)nn1C 843661357 ZBTQJIMTHWNOLS-JGVFFNPUSA-N 282.300 -0.385 50 20 CBGD CNc1nccc(C(=O)NNC(=O)CN(C)C)c1[N+](=O)[O-] 848369120 AYPMICQDDJTLIK-UHFFFAOYSA-N 296.287 -0.646 50 20 CBGD CNC(=S)N(C)NC(=O)CCCN(C)C(=O)OC 854923918 MYCLMMLXZIIVLU-UHFFFAOYSA-N 276.362 -0.068 50 20 CBGD CC(=O)NC[C@@H]1CCCCN1CC(=O)NNC(=O)C1CC1 860176565 GVKRSUJBGIXJCU-LBPRGKRZSA-N 296.371 -0.466 50 20 CBGD CS(=O)(=O)N1CCC[C@H](C(=O)NNc2cnccn2)C1 860937364 ZROWEOKXJMSAHP-VIFPVBQESA-N 299.356 -0.409 50 20 CBGD C=CC(=O)N(C)CC(=O)NNC(=O)CC(F)(F)F 862057351 HRKPFKKHEHMUDN-UHFFFAOYSA-N 267.207 -0.269 50 20 CBGD C=C[C@@](C)(CCOC)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862459787 BDQNOWPWAIAAPG-ZANVPECISA-N 283.328 -0.359 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CC[C@@H]1CCCCO1 863461368 FKMUMYQYCFUNLM-VIFPVBQESA-N 292.357 -0.472 50 20 CBGD COCCOCC(=O)NNC(=O)/C=C(\C)COC 869903238 NVOVHHCEWRFPHN-RMKNXTFCSA-N 260.290 -0.611 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CCCCO1 869908793 XRUVYGBGHYBJAL-SECBINFHSA-N 260.290 -0.634 50 20 CBGD CO[C@@H](C)CS(=O)(=O)NNC(=O)C1CCOCC1 882804938 FROHFUNAKBKPKV-QMMMGPOBSA-N 280.346 -0.602 50 20 CBGD CC(C)(C)C(=O)NNC(=O)C1CN(S(C)(=O)=O)C1 900220648 BQCDLZBQLDYRRT-UHFFFAOYSA-N 277.346 -0.929 50 20 CBGD C[C@H](O)CN(C)NC(=O)C1(C(=O)NC2CC2)CC1 910166983 BBKLOHKNIOHHNA-QMMMGPOBSA-N 255.318 -0.611 50 20 CBGD CC(C)[C@H](C(=O)NN(C)C[C@H](C)O)N1CCCC1=O 910170101 XZASKSYDPFZTMJ-CMPLNLGQSA-N 271.361 -0.023 50 20 CBGD CCCNC(=O)NNC(=O)[C@H]1CC(=O)N(CCOC)C1 921039552 RCZLRFQRSPRJMM-VIFPVBQESA-N 286.332 -0.778 50 20 CBGD Cc1ccccc1CC(=O)NNC(=O)NCC#CCO 923775256 DQQXJZSZELYILO-UHFFFAOYSA-N 275.308 -0.136 50 20 CBGD Cc1ccc(C=NNC(=O)CS(C)(=O)=O)nn1 1118952922 LRFDPTTXBYMNFY-UHFFFAOYSA-N 256.287 -0.720 50 20 CBGD COC(=O)C(=O)NN=C1CCC(CS(C)(=O)=O)CC1 1261236536 MJYPJGGAXHZZSQ-UHFFFAOYSA-N 290.341 -0.134 50 20 CBGD Cc1cc(CS(=O)(=O)N2CC[C@@H](B(O)O)C2)on1 1261843316 CFKURDUVDDZQOT-MRVPVSSYSA-N 274.107 -0.638 50 20 CBGD NC(=O)N1CCC[C@@H](C(=O)NNc2ncccn2)C1 1317835657 AIEXMOAWPZQJLQ-MRVPVSSYSA-N 264.289 -0.290 50 20 CBGD CN(C)CC(=O)NNC(=O)C1CCN(C(=O)N(C)C)CC1 1318572144 DUCKRSPBUCKFAT-UHFFFAOYSA-N 299.375 -0.911 50 20 CBGD CC(C)(C)n1cc(NC(=O)C(=O)NNC(=O)CCO)cn1 1323943316 FKQZEBWZKQBEFT-UHFFFAOYSA-N 297.315 -0.894 50 20 CBGD O=C(NNc1nccc(N2CCOCC2)n1)c1cnc[nH]1 1323944019 SPJLQIWPHLBOCC-UHFFFAOYSA-N 289.299 -0.207 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1CCCCS1(=O)=O 1324101691 CGGBSVWICPUNCH-QMMMGPOBSA-N 293.414 -0.143 50 20 CBGD CCn1ncc(C)c1NC(=O)C(=O)NNC(=O)C(C)C 1327589783 CLHHSKKMKBDABI-UHFFFAOYSA-N 281.316 -0.047 50 20 CBGD C[C@H](NC(=S)NNC(=O)C(=O)c1cnn(C)c1)C1CC1 1328430516 HFVQRBNDEWOEGR-ZETCQYMHSA-N 295.368 -0.103 50 20 CBGD COC(=O)C1(CNC(=O)NNC(=O)c2cn[nH]c2)CC1 1329745869 PDTSRHWTNIXZGT-UHFFFAOYSA-N 281.272 -0.693 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@@H]1CCNC1=O 1330860455 ANLXGRPMOAIZOM-SCSAIBSYSA-N 253.180 -0.778 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCN1C 1331518393 CQVVJVGPSKFHIK-KXUCPTDWSA-N 297.359 -0.922 50 20 CBGD CO[C@@H](C=NNC(=O)CS(C)(=O)=O)C1CCOCC1 1331723512 UQDWXPAKMJAUME-JTQLQIEISA-N 292.357 -0.425 50 20 CBGD O=C(CO)NNc1ccc(-c2nn[nH]n2)c(Cl)c1 1592878608 JCBWHGSTYSXGAC-UHFFFAOYSA-N 268.664 -0.045 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](C(=O)O)C2CC2)n1 1594298162 DVNLJJYWCMZQAM-NSHDSACASA-N 294.311 -0.242 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](C(=O)O)[C@@H]1C 1594712701 ZICOVAQHHNORER-XHNCKOQMSA-N 271.317 -0.273 50 20 CBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)c1ccccn1 1594755159 DBNJXOWRVFTTCQ-SSDOTTSWSA-N 251.242 -0.047 50 20 CBGD CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)c1cccnn1 1602970136 NMSDVWOGCVMNHS-MRVPVSSYSA-N 266.257 -0.406 50 20 CBGD O=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)c1c[nH]nn1 104643910 WLOVXVOJNDFEOB-UHFFFAOYSA-N 290.239 -0.283 50 20 CBGD COCCN(C)CCNC(=O)NNC(=O)C(C)(C)C 171212234 SUPKNCZEMPYDBF-UHFFFAOYSA-N 274.365 -0.059 50 20 CBGD C=CCNC(=S)NNC(=O)Cn1ccc(C)cc1=O 193004779 XIRXRWVWDLVZNE-UHFFFAOYSA-N 280.353 -0.162 50 20 CBGD CCc1c(C(=O)NNC(=O)C(=O)NC(C)C)ccn1C 291508754 WVRGTVIAZUEUIA-UHFFFAOYSA-N 280.328 -0.127 50 20 CBGD COCCN(C)NC(=O)Cn1c(=O)n(C)c2ccccc21 293579310 JPRBKENNKPJTPT-UHFFFAOYSA-N 292.339 -0.051 50 20 CBGD COC(=O)N(C)NC(=O)CN(C)CC(=O)NC(C)C 495826406 WLIJWEMPVZNJMJ-UHFFFAOYSA-N 274.321 -0.828 50 20 CBGD CN1CCC[C@H](CNC(=O)c2ccc(B(O)O)c(F)c2)C1 584944416 PFGZOHIRLWMVIO-SNVBAGLBSA-N 294.135 -0.423 50 20 CBGD C[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1CO 584970781 UAXRFSKSEZOWNR-MFKMUULPSA-N 277.129 -0.401 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@]12CCOC2 584991803 ANKWUWIACVHXAC-CQSZACIVSA-N 293.103 -0.099 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@@H](CCCO)C1 584999705 KVLYPZPCMLFHMT-SNVBAGLBSA-N 295.119 -0.260 50 20 CBGD C[C@@H]1C[C@H](CO)CN(C(=O)c2ccc(B(O)O)c(F)c2)C1 585000381 MADMKBGXQNHWGE-ZJUUUORDSA-N 295.119 -0.404 50 20 CBGD C[C@H](NCc1ccc(B(O)O)o1)[C@@H](C)n1cncn1 585020415 WQGUEEKQARBLSV-DTWKUNHWSA-N 264.094 -0.710 50 20 CBGD CC1(CNCc2ccc(B(O)O)cc2F)COC1 585024655 ZONMDTSPLJNLNT-UHFFFAOYSA-N 253.082 -0.368 50 20 CBGD CC[C@H](NCc1ccc(B(O)O)o1)[C@@H]1CCOC1 585026778 KBJGJHASZWJMGG-KOLCDFICSA-N 253.107 -0.136 50 20 CBGD CC[C@@H](NCc1ccc(B(O)O)o1)[C@H](O)C(C)C 585047072 ZSWRJNCYSJMYAC-ZYHUDNBSSA-N 255.123 -0.156 50 20 CBGD CCOc1ccc(OCC(=O)NCB(O)O)cc1 585055902 GTFGIALXXDJMSP-UHFFFAOYSA-N 253.063 -0.408 50 20 CBGD O=C(NCB(O)O)c1cncc(Br)c1 585060902 HFQFSDIYVBOECA-UHFFFAOYSA-N 258.868 -0.414 50 20 CBGD CNC(=O)NNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 727242035 COVLYEMDRDLONV-UHFFFAOYSA-N 299.294 -0.100 50 20 CBGD O=C(CCC(=O)N1CCOCC1)NNC(=O)C1CCC1 732143856 HKBUXQOTWSIIKT-UHFFFAOYSA-N 283.328 -0.427 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@H]1CC=CCC1 737063504 GPSAVJAPAXRZRY-QMMMGPOBSA-N 266.301 -0.296 50 20 CBGD O=C(O)NNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 738660075 BPVOVKSITFDSJR-UHFFFAOYSA-N 285.281 -0.567 50 20 CBGD CCCNC(=O)NNC(=O)CS(=O)(=O)N(CC)CC 746170014 AJIZFQSLOGZFDF-UHFFFAOYSA-N 294.377 -0.602 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCC(C)(C)OC 748633026 GGAYWZWPKSFMHZ-VIFPVBQESA-N 291.348 -0.207 50 20 CBGD C#CCNC(=S)NNC(=O)CCN(CC)CC 758181302 QNBULTATCGKBDR-UHFFFAOYSA-N 256.375 -0.153 50 20 CBGD CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)CN(C)C 777135806 PGYLBZGOXHVJND-VIFPVBQESA-N 258.366 -0.138 50 20 CBGD CN1CC[C@@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)C1 792849535 JNUNPWQADGXTEJ-GHMZBOCLSA-N 289.401 -0.570 50 20 CBGD COc1nccnc1NNC(=O)c1cc2n(n1)CCO2 811073905 HDDSQIPKLXMEOM-UHFFFAOYSA-N 276.256 -0.169 50 20 CBGD CC(C)S(=O)(=O)CC(=O)NN(C)[C@H](C)CO 823970903 MTFAOIAHPKAGSG-MRVPVSSYSA-N 252.336 -0.847 50 20 CBGD CO[C@@H]1COC[C@H]1NC(=O)NNC(=O)CC(C)C 827482188 KFSXRTFZHQRWFS-RKDXNWHRSA-N 259.306 -0.223 50 20 CBGD COC(=O)NNS(=O)(=O)c1cc(C(=O)O)c(C)o1 831207163 VKPOSGDBKILQNJ-UHFFFAOYSA-N 278.242 -0.164 50 20 CBGD CC(C)(C)C(=O)NNC(=O)c1cnc(C(=O)O)cn1 833421826 GKZAXIURRAOYGN-UHFFFAOYSA-N 266.257 -0.018 50 20 CBGD O=C(CN1CC[C@H]2NCC[C@@H]2C1)NNC(=O)C1CC1 843388278 YLRHSZIBKKBLCL-GHMZBOCLSA-N 266.345 -0.772 50 20 CBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843646030 HZTLUCBWOCGBAK-UYXSQOIJSA-N 270.285 -0.632 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCCn1cncn1 843980980 ZCCCHGUFVWWKCW-NXEZZACHSA-N 281.316 -0.369 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 845415061 RDGGCMCMYZSJKA-QMMMGPOBSA-N 292.361 -0.993 50 20 CBGD O=C(NCCN1CCCC1=O)NNc1ncccn1 845474890 NFKYKMWZIBKCND-UHFFFAOYSA-N 264.289 -0.275 50 20 CBGD O=C(NCCN1CCCC1=O)NNC(=O)C1CCC1 845475943 DHDGXHKKLPAACP-UHFFFAOYSA-N 268.317 -0.261 50 20 CBGD CCONC(=O)CNC(=O)NNc1cccc(OC)n1 846723717 IIRZKWWQEMHKLX-UHFFFAOYSA-N 283.288 -0.216 50 20 CBGD O=C(NNc1ncc(Cl)cn1)[C@H]1CN2CCCN1CC2 857357090 GTLFRDNQEPWTOP-SNVBAGLBSA-N 296.762 -0.037 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCC[C@H]2C2CC2)N1 858698707 ZCAONBUQGAUZHU-UWVGGRQHSA-N 280.328 -0.120 50 20 CBGD CC[C@@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)N(CC)CC 862454331 FNZBSSNBHPJIPN-UWVGGRQHSA-N 284.360 -0.467 50 20 CBGD CCNc1nc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cs1 862458700 DGIDIWSWERTOIM-LURJTMIESA-N 297.340 -0.386 50 20 CBGD CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)CS(C)(=O)=O 862992219 CHMAKBNBEHCXBC-QMMMGPOBSA-N 291.373 -0.949 50 20 CBGD Cc1cc(CC(=O)NNC(=O)COCC(F)(F)F)n[nH]1 869013192 PZVKPGPFZRDOIM-UHFFFAOYSA-N 294.233 -0.013 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H](C)C(F)(F)F 869909573 BPNITLNMURVBKD-ZCFIWIBFSA-N 272.223 -0.005 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@@H]1CC[C@H]1C(N)=O 899997023 CUORATRAOGVCLP-RNFRBKRXSA-N 272.374 -0.208 50 20 CBGD CC[C@H](C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)N(C)C 908279380 LJZLHOMUGCGAJF-GHMZBOCLSA-N 291.417 -0.181 50 20 CBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)CN2CCCC2=O)CO1 913731895 ACSWFWUADVHHIW-RKDXNWHRSA-N 269.301 -0.819 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(N)=O)cc1C 917663347 AOYAMWYZCDUPOB-UHFFFAOYSA-N 250.258 -0.059 50 20 CBGD CC(C)(C)C(=O)NNC(=O)Cn1cccnc1=O 918584684 ZBEBBBPCVRNNTD-UHFFFAOYSA-N 252.274 -0.563 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cnn3c2OCCC3)cn1 1117749979 GIYHHHYTFBSLFO-UHFFFAOYSA-N 290.283 -0.526 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)[C@@H]1CCOC1 1119083579 HUFDMUFFUZLJOF-DJLDLDEBSA-N 284.316 -0.980 50 20 CBGD C[C@@H]1CNC[C@H]1CNC(=O)NNC(=O)[C@H]1CCCCO1 1120553839 CFQIYMUIMRAFBW-OUAUKWLOSA-N 284.360 -0.259 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=O)Cc1cccnc1 1251620250 ZFCDKMJNLFPVMF-MRVPVSSYSA-N 264.285 -0.704 50 20 CBGD C#CCC(C)(C)C(=O)NNC(=O)CS(C)(=O)=O 1261835288 PSRUONYDNBSLQN-UHFFFAOYSA-N 260.315 -0.772 50 20 CBGD Cn1ncc(C(=O)NNC(=O)NCC(F)(F)F)c1N 1321626352 XDNIQWKTEGZTFO-UHFFFAOYSA-N 280.210 -0.491 50 20 CBGD NC(=O)c1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1 1329216480 WSLIFMOQVMVUFE-JTQLQIEISA-N 262.074 -0.526 50 20 CBGD Cn1nc(C(=O)N2CC[C@@H](B(O)O)C2)cc1C1CC1 1329293617 RMPZIKLQXKCIMV-SECBINFHSA-N 263.106 -0.014 50 20 CBGD C[C@H](NC(=O)NNC(=O)c1cn[nH]c1)c1cnn(C)c1 1329735694 OLDHPYFKOFJXDG-ZETCQYMHSA-N 277.288 -0.152 50 20 CBGD CNC(=O)C1(C(=O)NNC(=S)Nc2ccccn2)CC1 1329915749 GMBIOCDHUCWSGP-UHFFFAOYSA-N 293.352 -0.075 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccncc1 1339816940 DPKJIVAPWMEZBC-UHFFFAOYSA-N 252.230 -0.915 50 20 CBGD CC(C)C[C@H](CNC(=O)NNC(=O)c1ncon1)C(=O)O 1573511002 OINKEDXODHXSMH-SSDOTTSWSA-N 299.287 -0.240 50 20 CBGD C#CCCCC(=O)NNC(=O)C[C@]1(O)CCNC1 1574545541 RLJJLSFQGFJDNA-GFCCVEGCSA-N 253.302 -0.948 50 20 CBGD C[C@H](CCCN)NC(=O)NNC(=O)c1cnsn1 1575951387 ALKRISJBTSIHAS-ZCFIWIBFSA-N 272.334 -0.391 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccnc(-c2nn[nH]n2)c1 1589881687 AVGKIWKRICAHIL-ZETCQYMHSA-N 277.288 -0.781 50 20 CBGD CCO/C=C(/C#N)C(=O)N1C[C@H]2COC[C@@]2(C(=O)O)C1 1591764830 CLTJCQNDADHFEZ-CYVCZIRCSA-N 280.280 -0.010 50 20 CBGD CN(NC(=O)[C@H]1CC[C@@H](CCC(=O)O)O1)C(N)=O 1598541014 KEKHDKZQRAFBOF-NKWVEPMBSA-N 259.262 -0.560 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)/C=C/c1nccs1 48674725 ILFLNGCBWFRIJT-ONEGZZNKSA-N 282.325 -0.172 50 20 CBGD CCN(CC)CC(=O)NNC(=O)Cn1nc(C)cc1C 123880751 NFAJUDIZPVKINK-UHFFFAOYSA-N 281.360 -0.011 50 20 CBGD CN1CCN(S(=O)(=O)CBr)CC1 126607336 PCDNBWPOLMSJNW-UHFFFAOYSA-N 257.153 -0.084 50 20 CBGD CCOC(=O)CNS(=O)(=O)CBr 126719292 PABIFVGQYODZKQ-UHFFFAOYSA-N 260.109 -0.179 50 20 CBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CCSC1 266783134 KQBHKWHHFQCJAN-MRVPVSSYSA-N 286.357 -0.555 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2NCCO[C@@H]2C)n1 284622648 MQOKIBGGQOONJU-SCZZXKLOSA-N 281.316 -0.386 50 20 CBGD COC(=O)N(C)NC(=O)CSc1nc(C)n[nH]1 286558442 ZQPLHKQJQYCRDM-UHFFFAOYSA-N 259.291 -0.065 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1cccc2c1CNC2=O 287772886 QNJMOCZEQSNPDD-UHFFFAOYSA-N 291.311 -0.356 50 20 CBGD COC(=O)COCC(=O)NNC(=O)OC(C)(C)C 289100196 PNZDKDVQJZAMEI-UHFFFAOYSA-N 262.262 -0.268 50 20 CBGD C[C@]1(NS(=O)(=O)CBr)CCOC1=O 306464424 IGUYAZDZARYPGX-LURJTMIESA-N 272.120 -0.036 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNc1ncccn1 372843449 VSGDTAGLFIHFEI-SECBINFHSA-N 251.290 -0.360 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CC23CCOCC3)CC1 377568514 SRYVGBGXFDDECR-NSHDSACASA-N 296.371 -0.209 50 20 CBGD Cn1ncc(CCC(=O)Nc2cccc(B(O)O)c2)n1 584912337 RFNUTHCAIJGNNY-UHFFFAOYSA-N 274.089 -0.934 50 20 CBGD CC(C)CNC(=O)CNC(=O)c1cc(B(O)O)ccc1F 584936779 NECJOIXEPWOWKJ-UHFFFAOYSA-N 296.107 -0.993 50 20 CBGD C[C@H](C#N)CNC(=O)c1cc(B(O)O)ccc1F 584941542 KLZQLCHYLOZJQK-SSDOTTSWSA-N 250.038 -0.605 50 20 CBGD C[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@@H]1CCOC1 584949331 DNKNEZJULUBJQN-PSASIEDQSA-N 281.092 -0.340 50 20 CBGD CC[C@H](C)N1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584996829 QPXKDFGZVHJSFV-LBPRGKRZSA-N 290.172 -0.077 50 20 CBGD COCC1(N(C)C(=O)c2cccc(B(O)O)c2)CC1 585007304 WKOYEEGRRNDYEK-UHFFFAOYSA-N 263.102 -0.383 50 20 CBGD C=CCC[C@@H](CO)NCc1ccc(B(O)O)cc1F 585044375 HGHBKOLSGFSMER-LBPRGKRZSA-N 267.109 -0.078 50 20 CBGD Cc1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cn1 585056306 MTOVZKGURMMAFJ-SECBINFHSA-N 270.119 -0.373 50 20 CBGD O=C1CCCc2cc(S(=O)(=O)NCB(O)O)ccc21 585059770 YZPRQIWJWUHKOE-UHFFFAOYSA-N 283.114 -0.504 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN(C)CC1 725879649 LRDRTMVZLSEWOY-NSHDSACASA-N 270.377 -0.184 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cccc(OC)c1 727358442 XQKHMGYTKGHXRM-UHFFFAOYSA-N 259.287 -0.183 50 20 CBGD CC(C)(C)CC(=O)NNC(=S)NCCS(C)(=O)=O 729157831 DEHNNNYTDMHWPZ-UHFFFAOYSA-N 295.430 -0.038 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(C(=O)O)nc1 738827671 LITNGUJCMCXUSZ-UHFFFAOYSA-N 289.251 -0.114 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1ccc(F)cc1 751563965 PZVYSGQNFWWXMI-UHFFFAOYSA-N 261.278 -0.182 50 20 CBGD CNC(=O)NNC(=O)c1cnn(C)c1Br 753803888 UCUZKTFFIPYOGE-UHFFFAOYSA-N 276.094 -0.244 50 20 CBGD O=C(NNC(=O)c1cnccn1)Nc1nc2ccccn2n1 760033316 RUYGXIOEWCWKLG-UHFFFAOYSA-N 298.266 -0.014 50 20 CBGD CCc1ncsc1NC(=O)C(=O)NNC(=O)CN(C)C 764212749 QIHKWOKYELSVAX-UHFFFAOYSA-N 299.356 -0.647 50 20 CBGD COC(=O)CNC(=O)NN=C(C)c1c(C)nc(O)nc1O 779823188 NOEVFOVLQOTYKS-UHFFFAOYSA-N 297.271 -0.608 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)c1ccncc1 784957518 FNOWDFAGLALKFP-VIFPVBQESA-N 262.269 -0.537 50 20 CBGD COCC(=O)NN=Cc1cc(C(=O)OC)n(C)c1 790166251 AWVYGQGAJBBQCO-UHFFFAOYSA-N 253.258 -0.092 50 20 CBGD NC(=O)NC1(C(=O)NNc2cccc(F)n2)CC1 804771991 WVDNUDSFOUHQRP-UHFFFAOYSA-N 253.237 -0.135 50 20 CBGD CCn1ccnc1C(=O)NNC(=O)N1CCOCC1 813428172 USVDVXQHBTWVHZ-UHFFFAOYSA-N 267.289 -0.410 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@@H]1CSCC(=O)N1 823369460 ZSUUJNSAKHMNCL-BYPYZUCNSA-N 285.247 -0.682 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@]1(c2ccccc2)CNC(=O)C1 823921875 DLQKDRSIVDZUPP-NHYWBVRUSA-N 291.351 -0.212 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CC(=O)N[C@H](C)C1 831763206 MAMXOHLVBWYKHS-ZJUUUORDSA-N 284.360 -0.611 50 20 CBGD CCn1ccc(CC(=O)NNC(=O)Cc2cc[nH]n2)n1 845446795 DKUJMWKVDKRFQD-UHFFFAOYSA-N 276.300 -0.441 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@@H](C)OC 854280026 JFLUTXMHKUKFFV-MRVPVSSYSA-N 263.363 -0.105 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H](CC(C)C)C(N)=O 854927889 SOABAYBYFGEUJY-ZETCQYMHSA-N 260.363 -0.399 50 20 CBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ncccc1[N+](=O)[O-] 857151865 NUVHLSWFBIJOIW-RQJHMYQMSA-N 279.256 -0.056 50 20 CBGD CN(CC1CC1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858694406 NWPFANGILGTKST-MRVPVSSYSA-N 254.290 -0.652 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2ccccn2)N1 860860649 KFLDDMXMQZLARH-SSDOTTSWSA-N 263.257 -0.487 50 20 CBGD O=C(CCCC1CC1)NNC(=O)[C@@H]1CCC(=O)N1 862461261 JHDWBTLDQIZPEQ-VIFPVBQESA-N 253.302 -0.007 50 20 CBGD CC1(C(=O)NNC(=O)c2cn[nH]c2)CCOCC1 862471632 IOEUCLZECIZVJI-UHFFFAOYSA-N 252.274 -0.013 50 20 CBGD COc1cccc(C=NNC(=O)[C@H]2CCC(=O)N2)n1 863152913 ITAIMKGDQSQRSN-SECBINFHSA-N 262.269 -0.181 50 20 CBGD C[C@H](NCc1cccc(B(O)O)c1)[C@H](O)C(F)(F)F 877693906 UDTGZWHGGMBTMG-XVKPBYJWSA-N 277.051 -0.232 50 20 CBGD CCOC(=O)[C@@H](CC1CC1)NCC(=O)NNC(=O)C1CC1 879983190 WAGPIRDRVUZWQY-LLVKDONJSA-N 297.355 -0.135 50 20 CBGD CC1(C)[C@@H](NCC(=O)NNC(=O)C2CC2)C[C@H]1N 883442926 VZVIKGBBVZQAIH-BDAKNGLRSA-N 254.334 -0.741 50 20 CBGD CC[C@@H](C(=O)NN(C)C[C@@H](C)O)N1CCCC1=O 910161989 BYZMOAMGERXCKW-ZJUUUORDSA-N 257.334 -0.269 50 20 CBGD COC(=O)c1ccn(CC(=O)NN(C)C[C@H](C)O)n1 910182276 GJSZWTIQMWAYHP-QMMMGPOBSA-N 270.289 -0.987 50 20 CBGD CC(C)(C)C(=O)NNC(=O)[C@H]1CCCN(C(N)=O)C1 918584122 GDAHAJKODNLVRZ-QMMMGPOBSA-N 270.333 -0.029 50 20 CBGD C#CC1(O)CN(CC(=O)NNC(=O)c2cccs2)C1 934447296 RKTZJAJSSCLJNW-UHFFFAOYSA-N 279.321 -0.811 50 20 CBGD Cc1nnc(NNC(=O)[C@H](C)c2cnn(C)c2)nc1O 1116216685 XGGLNBHENWKOFS-ZCFIWIBFSA-N 277.288 -0.134 50 20 CBGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)C1CCC1 1252474893 XQCLOGBYDHVGSD-QMMMGPOBSA-N 254.290 -0.523 50 20 CBGD C=CCNC(=S)NNC(=O)COCc1nncn1C 1261235573 ZLINDYLHQATSFI-UHFFFAOYSA-N 284.345 -0.987 50 20 CBGD CONC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 1318263680 KISVJQRUUFUTBY-UHFFFAOYSA-N 277.244 -0.832 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H](C)N1CCCCC1 1318876683 MAPHYROZBODXMC-VIFPVBQESA-N 286.332 -0.636 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H](C)Cn1ccnc1C 1319002966 DRIQDCUYGVOEAF-QMMMGPOBSA-N 297.315 -0.669 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H](C)c1nccs1 1320270984 BXEUHMYEOSKXPA-ZCFIWIBFSA-N 286.313 -0.250 50 20 CBGD CNC(=O)Cc1ccc(NC(=O)NNC(=O)CCO)cc1 1320566604 GGCDLFIRFRUTFE-UHFFFAOYSA-N 294.311 -0.490 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(C(C)C)n(C)n1 1322238874 VGERTXIDRPUMLO-UHFFFAOYSA-N 295.343 -0.171 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCn3cncc3C2)cn1 1322895792 VTLSGPFZTUOLNR-SECBINFHSA-N 288.311 -0.360 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1CCc2nnn(C)c2C1 1324295103 MXECSUXDNCMZCS-MRVPVSSYSA-N 296.400 -0.176 50 20 CBGD COC[C@H](CNC(=O)NNC(=O)c1ccc[nH]1)OC 1325096588 PHPFRHFNMCIRRC-QMMMGPOBSA-N 270.289 -0.380 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](C)C[S@](C)=O 1325977313 VVUASLKJEVMYLM-YIOKPSSGSA-N 291.373 -0.491 50 20 CBGD Cn1nncc1CNC(=O)NNC(=O)c1cccc(C#N)c1 1327082762 SJSBZSGCLDZGAJ-UHFFFAOYSA-N 299.294 -0.169 50 20 CBGD NCCOCC(=O)NNc1nncc(N)c1Cl 1327121416 QOWHKNMJGSJNSM-UHFFFAOYSA-N 260.685 -0.869 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC[C@]3(CCOC3)C2)N1 1328717924 GEFXPSGHONLWMY-RNCFNFMXSA-N 296.327 -0.882 50 20 CBGD COC(=O)N(C)NC(=O)NC[C@@H](C)CN1CCOCC1 1330242331 OIODVDGCPBDXML-SNVBAGLBSA-N 288.348 -0.133 50 20 CBGD CCC(=O)N1CC[C@H](NC(=O)NNC(=O)c2cn[nH]c2)C1 1331295572 DSAPNEVMDDWDMS-VIFPVBQESA-N 294.315 -0.635 50 20 CBGD CNC(=O)NNC(=O)Cc1ccn(CC(F)(F)F)n1 1337035222 HZUDHPGKGDYPCY-UHFFFAOYSA-N 279.222 -0.052 50 20 CBGD O=C(CCO)NN=C1NS(=O)(=O)c2ccccc21 1342670488 ASEQAWPHHQPSPN-UHFFFAOYSA-N 269.282 -0.861 50 20 CBGD O=C(CCn1cnccc1=O)NNc1ncccn1 1343848625 KKXSJHGEUXQHKS-UHFFFAOYSA-N 260.257 -0.433 50 20 CBGD O=C(NN=C1CCOC1)[C@H]1CN2CCC[C@@H]2CO1 1549316722 HXGGSPHDRGZVIU-GHMZBOCLSA-N 253.302 -0.258 50 20 CBGD C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NNC(=O)CCCN 1576759106 PAWDWLOOKCNJOV-UFBFGSQYSA-N 279.344 -0.038 50 20 CBGD COCC[C@H](N)C(=O)NNC(=O)c1ccccn1 1578997495 IZTRZZIVLCJTJC-QMMMGPOBSA-N 252.274 -0.794 50 20 CBGD N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1cnsn1 1580135524 MLINLGRACMWMQO-VIFPVBQESA-N 291.336 -0.131 50 20 CBGD COC(=O)NNC(=O)c1cc(O)cc(-c2nn[nH]n2)c1 1591275063 JNAYHBDAEUSWCM-UHFFFAOYSA-N 278.228 -0.427 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)C(=O)O)c1ccccn1 1592675299 DAQPRFAPTPFXOQ-ZETCQYMHSA-N 266.257 -0.400 50 20 CBGD O=C(CO)NNC(=O)c1cc(-c2nn[nH]n2)ccc1Cl 1592879033 SNRDKVNSNMOUEL-UHFFFAOYSA-N 296.674 -0.727 50 20 CBGD C[C@H]1CCCN(CCNC(=O)NNC(=O)C(=O)O)C1 1594383735 KRCVSUJLDLZJFP-QMMMGPOBSA-N 272.305 -0.867 50 20 CBGD Cn1nc(C(=O)O)cc1C=NNC(=O)N1CCOCC1 1594571729 HHLJBVSWNOPGOD-UHFFFAOYSA-N 281.272 -0.506 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1 1609681267 WSSAYGLYBZTRJY-YUMQZZPRSA-N 272.301 -0.204 50 20 CBGD COC(=O)NCC(=O)NNC(=O)c1ccccc1F 48910667 AIUMYKFKJDEJHQ-UHFFFAOYSA-N 269.232 -0.057 50 20 CBGD Cc1ccc(NNC(=O)N[C@H]2CCN(C)C2=O)nn1 130066941 QVGSPCLMXPYPJJ-QMMMGPOBSA-N 264.289 -0.358 50 20 CBGD CC[C@H](C(=O)NNC(=O)CNC(=O)c1ccco1)N(C)C 160120938 BAVZSLJLLCIXOD-SECBINFHSA-N 296.327 -0.503 50 20 CBGD Cn1c(=NNC(=O)Cn2cnnn2)sc2ccccc21 250810598 WVNOZJBMHBCZQW-UHFFFAOYSA-N 289.324 -0.142 50 20 CBGD O=C(C[C@@H]1CCCC(=O)N1)NNC(=O)N1CCOCC1 291446112 GQIDZWLNGJSTSF-VIFPVBQESA-N 284.316 -0.882 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2NC(=O)O[C@H]2C)n1 496362400 DYSDCSKBLDNCQL-XPUUQOCRSA-N 281.272 -0.266 50 20 CBGD CC(C)(C)[C@@H](CO)C(=O)Nc1cccc(B(O)O)c1 584912175 CUBLFJKSDAMCJY-NSHDSACASA-N 265.118 -0.041 50 20 CBGD CCO[C@@H](C)CNC(=O)c1cccc(B(O)O)c1 584950624 GEJDPFJLTZHKPS-VIFPVBQESA-N 251.091 -0.479 50 20 CBGD O=C(NC[C@H]1CCC[C@H](O)C1)c1ccc(B(O)O)cc1 584952281 VKKNRVXDLAYGCT-GWCFXTLKSA-N 277.129 -0.353 50 20 CBGD C[C@@H]1CCN(CCNC(=O)c2cccc(B(O)O)c2)C1 584956061 WVHDCARQUAJQMD-LLVKDONJSA-N 276.145 -0.562 50 20 CBGD C[C@H]1CC[S@@](=O)CCN1C(=O)c1ccc(B(O)O)cc1 584984195 YIVPISWYSARQAT-WVDJIFEKSA-N 295.169 -0.651 50 20 CBGD Cc1ccc([C@H](O)CNCc2ccc(B(O)O)o2)o1 585025052 KRDJXUVLKYZMEF-SNVBAGLBSA-N 265.074 -0.316 50 20 CBGD CCNC(=O)NC1(C(=O)N2CC[C@H](B(O)O)C2)CCCC1 585072082 HUKFCXGNLJHSDY-JTQLQIEISA-N 297.164 -0.306 50 20 CBGD O=C(O)CSCC(=O)NNC(=O)c1ccccn1 740485713 YFHKXLRKEULZPX-UHFFFAOYSA-N 269.282 -0.340 50 20 CBGD O=C(NNC(=O)C1CC=CC1)C(=O)N1CCCC1 740820892 XVEFMRSTFKIXOB-UHFFFAOYSA-N 251.286 -0.278 50 20 CBGD CC(=O)NNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 749715685 PIDVIESNJIATRT-SNVBAGLBSA-N 253.302 -0.198 50 20 CBGD N#Cc1ccc(CC(=O)NNC(=O)C(=O)NC2CC2)cc1 749838309 NJXBHRDWAJJKKR-UHFFFAOYSA-N 286.291 -0.473 50 20 CBGD C/C=C\C(=O)NNC(=O)CNC(=O)c1ccco1 751212795 YCORXIJXDMWFKA-RQOWECAXSA-N 251.242 -0.267 50 20 CBGD CC[C@@H]1CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)CCO1 756826763 LHELVUHCSRFRCP-WCBMZHEXSA-N 291.373 -0.015 50 20 CBGD CSCc1ccccc1NC(=O)C(=O)NNC(=O)CO 764429784 YVHKCFNGLXSNQN-UHFFFAOYSA-N 297.336 -0.372 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H](O)C(C)(C)C)cn1 765053311 ZRNZFAUDTXNPHF-MRVPVSSYSA-N 254.290 -0.412 50 20 CBGD CC(C)CC(=O)NNC(=O)NC[C@@H]1CCCS1(=O)=O 765898714 RCFJSRBDKTVYKE-VIFPVBQESA-N 291.373 -0.060 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H]1CCN(C)C1=O 772409725 RFUOIZOYQQLBDL-MRVPVSSYSA-N 256.306 -0.405 50 20 CBGD COc1cc(CC(=O)NNC(=O)CO)cc(OC)c1OC 777781942 JAGVSEYVNZKJCG-UHFFFAOYSA-N 298.295 -0.605 50 20 CBGD NS(=O)(=O)c1ccc(C(=O)NN=c2cc[nH]cc2)s1 781020783 FIQQOJFMVLSPHZ-UHFFFAOYSA-N 298.349 -0.031 50 20 CBGD COc1ccc(NNC(=O)Cn2cnc(C#N)n2)nc1 781527718 UCOBHOUZUMKVQB-UHFFFAOYSA-N 273.256 -0.303 50 20 CBGD COc1ccc(CC(=O)NNC(=O)C(C)(C)O)nc1 790043141 RATDJVNSTQPQNG-UHFFFAOYSA-N 267.285 -0.449 50 20 CBGD C[C@H]1COC(=O)C1=NNC(=O)Cc1cc(O)nc(O)n1 794914533 IRJAUZLMMDSTIP-YFKPBYRVSA-N 280.240 -0.905 50 20 CBGD C[C@H]1CCNC(=O)[C@@H]1NS(=O)(=O)CBr 799826193 DIAKOEXIKCWOFM-NTSWFWBYSA-N 285.163 -0.217 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=O)N=c1cc[nH]cc1 802026490 DYDQLGSQLDTBMF-NSHDSACASA-N 268.273 -0.946 50 20 CBGD Cn1cc(C(=O)NNC(=O)COc2ccccc2O)nn1 809160804 DCROVAUADOFHJP-UHFFFAOYSA-N 291.267 -0.639 50 20 CBGD COc1cc(C)nc(NNC(=O)c2cn(C)nn2)n1 809705284 RTLADWKZCZNBLU-UHFFFAOYSA-N 263.261 -0.321 50 20 CBGD COCC(=O)NNC(=O)Nc1ccc2nc(C)nn2c1 809898277 XONNKKXMTQNUEG-UHFFFAOYSA-N 278.272 -0.163 50 20 CBGD CO[C@](C)(C(=O)NNC(=O)C(=O)N1CCCC1)C1CC1 812489714 BAFOHHFSBXGECE-ZDUSSCGKSA-N 283.328 -0.429 50 20 CBGD CC(=O)NC(C)(C)C(=O)NNc1ncncc1F 817078721 QXXDNSDYXNTKFO-UHFFFAOYSA-N 255.253 -0.027 50 20 CBGD CN(C)CC1(C(=O)NNC(=O)c2cc[nH]n2)CC1 824401314 LPVCZZQRHCKOKF-UHFFFAOYSA-N 251.290 -0.488 50 20 CBGD CCN(CC(=O)NNC(=O)c1ncccn1)C1CC1 841350642 PKYDDNOAXAYPOD-UHFFFAOYSA-N 263.301 -0.278 50 20 CBGD N[C@@H]1Cc2ccccc2N(CC(=O)NNC(=O)C2CC2)C1 842480396 KTUXTBULUMDMPR-GFCCVEGCSA-N 288.351 -0.066 50 20 CBGD CCOC(=O)NNS(=O)(=O)N1CCCOCC1 844647613 ZLKGAPOFNBWOKC-UHFFFAOYSA-N 267.307 -0.796 50 20 CBGD C#CCN(CC(=O)O)S(=O)(=O)CBr 849219288 OZWFYNTWNPHTNL-UHFFFAOYSA-N 270.104 -0.312 50 20 CBGD CO[C@@H](C)CS(=O)(=O)NNC(=O)c1cccc(F)n1 853052144 YDZINLJYUKOXNF-ZETCQYMHSA-N 291.304 -0.180 50 20 CBGD CC[C@@H]1COCC1=NNC(=O)[C@@H](C)NS(C)(=O)=O 853303758 QYDVKFUADMYDTO-HTQZYQBOSA-N 277.346 -0.547 50 20 CBGD C[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858198586 VDLSUYMQSYBPOU-HRDYMLBCSA-N 268.317 -0.216 50 20 CBGD COC(=O)COCCNC(=O)NNC(=O)C1CCCC1 858392610 FWKAYSMNCJDZPL-UHFFFAOYSA-N 287.316 -0.303 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cccnc2S)N1 862452091 SXMWOPAEUNLICY-ZETCQYMHSA-N 280.309 -0.590 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ncc(F)cc2F)N1 862459257 QEWFGVWRRLYPHJ-ZETCQYMHSA-N 284.222 -0.601 50 20 CBGD O=C(CCOC[C@@H]1CCCO1)NNC(=O)c1cn[nH]c1 862474122 GCOXBIFZWJVXQH-JTQLQIEISA-N 282.300 -0.244 50 20 CBGD Cc1cc(=NNC(=O)[C@H](C)CS(C)(=O)=O)cc[nH]1 862513984 XHOMMQSFDMDLER-MRVPVSSYSA-N 271.342 -0.064 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CCCn1cccc1 863464402 NNLMEQDZXJCNFT-UHFFFAOYSA-N 287.341 -0.540 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CSC(F)F 863465447 DOGSNRHTXXEWMK-UHFFFAOYSA-N 276.286 -0.866 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)CCCN1CCCC1 867118557 SCGXZSUXVODBFL-UHFFFAOYSA-N 292.405 -0.032 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccn(C(F)F)n1 869907415 LCCMDTQRXDGDMO-UHFFFAOYSA-N 292.242 -0.298 50 20 CBGD CN1CCC[C@H]1C(=O)NNC(=O)C1CCOCC1 883062580 JBPCOMGKCUKDFK-JTQLQIEISA-N 255.318 -0.345 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1cnn2c1CCC2 913733266 CHUWEGNYGYYSFW-UHFFFAOYSA-N 291.311 -0.787 50 20 CBGD CCCNC(=S)NNC(=O)[C@H](C)CN1CCOCC1 916117941 RBKYPLKGZOXAHL-SNVBAGLBSA-N 288.417 -0.140 50 20 CBGD CC(C)(C#N)C(=O)NNC(=O)CN1CCCC1=O 920433858 ZVXQLKVXPUCPPL-UHFFFAOYSA-N 252.274 -0.694 50 20 CBGD C[C@@H]1NC[C@@H](C)N(CC(=O)NNC(=O)C2CC2)[C@H]1C 923435359 GWZISCBGMOFAQT-UTLUCORTSA-N 268.361 -0.386 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCc2cnc[nH]2)cn1 1116866420 YNCORXLUDZBAQO-UHFFFAOYSA-N 262.273 -0.463 50 20 CBGD CNC(=O)CCCCC(=O)NNC(=O)N1CCOCC1 1255334852 CDMJTUMAUYOWFW-UHFFFAOYSA-N 286.332 -0.634 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@@H](C)c1nnnn1C 1263137362 DLSIRYIHMAEMOR-LURJTMIESA-N 255.282 -0.743 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1cc[nH]n1 1318922195 VGUZYBNBFBFEID-MRVPVSSYSA-N 285.304 -0.708 50 20 CBGD COCCO[C@@H](C)C(=O)NN=Cc1cnc(N)nc1 1319964645 NLWBUQMFIJATGB-QMMMGPOBSA-N 267.289 -0.440 50 20 CBGD NC(=O)c1ccc(NNC(=O)c2cnc(C3CC3)[nH]2)nn1 1320774062 AACRRXQEGGGSES-UHFFFAOYSA-N 287.283 -0.067 50 20 CBGD Cc1sc(=O)n(CC(=O)NNc2cnnn2C)c1C 1325023826 YPEMGNNKPDAVFK-UHFFFAOYSA-N 282.329 -0.202 50 20 CBGD COCCOCC(=O)NNC(=O)Cc1cccnc1 1326379244 FIBKPOMBGQZVJK-UHFFFAOYSA-N 267.285 -0.566 50 20 CBGD O=C(NC[C@H]1COCCO1)NNC(=O)C1CCOCC1 1331290393 PSXQDDSDMXVCKZ-JTQLQIEISA-N 287.316 -0.841 50 20 CBGD COCCOCCC(=O)NNC(=O)Cc1cc[nH]n1 1337766352 LPESUYKWFOTOBR-UHFFFAOYSA-N 270.289 -0.847 50 20 CBGD C[C@H](O)c1cn(CC(=O)NNc2ncc(Cl)cn2)nn1 1351279853 VRTUUHCMSHHUNC-LURJTMIESA-N 297.706 -0.082 50 20 CBGD CN1C(=O)CCC[C@H]1C(=O)N1CC[C@@H](B(O)O)C1 1353926856 VWOMBSQOWUYPMA-BDAKNGLRSA-N 254.095 -0.927 50 20 CBGD CC(C)(CCNC(=O)NNC(=O)c1cccnn1)C(=O)O 1573474412 WDVVEPUFPWKYRP-UHFFFAOYSA-N 295.299 -0.079 50 20 CBGD C[C@H](C(=O)O)C(=O)NNc1cc(Cl)nc(N)n1 1588573972 QBJMUNWXIXWOEY-VKHMYHEASA-N 259.653 -0.124 50 20 CBGD O=C(O)CCCC(=O)NNC(=O)c1ncccn1 1595027862 SQRQZQNGTWHSPT-UHFFFAOYSA-N 252.230 -0.508 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H](C1CCOCC1)C1CC1 1601553193 XGXIVYXIEKAQAY-VIFPVBQESA-N 285.300 -0.393 50 20 CBGD Cc1nn(CCCl)c(C)c1C(=O)NC[C@H](O)C(=O)O 1610571759 BMOHSZYZOCESPY-QMMMGPOBSA-N 289.719 -0.086 50 20 CBGD COc1ccc(C=NNC(=O)C(N)=O)c(OCC(=O)O)c1 1776016119 WXGVIVSLHFKFHJ-UHFFFAOYSA-N 295.251 -0.906 50 20 CBGD C#CCNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 73257717 BMRLBAAOQICBQR-UHFFFAOYSA-N 285.267 -0.761 50 20 CBGD O=C(NNC(=O)c1cccc2ncccc12)c1nc(=O)[nH][nH]1 106921734 FQVSAEWSQLKJAN-UHFFFAOYSA-N 298.262 -0.279 50 20 CBGD CCCc1[nH]nc(C(=O)NNC(=O)CN(C)C)c1[N+](=O)[O-] 113424245 FXWOXBTXRWOLFL-UHFFFAOYSA-N 298.303 -0.407 50 20 CBGD CNC(=O)[C@@H]1CN(S(=O)(=O)CCCCCl)CCO1 155081233 AZGGMXQRQMSPBW-VIFPVBQESA-N 298.792 -0.218 50 20 CBGD CC(=O)NCCNC(=O)NNc1nc2ccccn2n1 190421718 JQSQSLAWFHSCNT-UHFFFAOYSA-N 277.288 -0.509 50 20 CBGD CC(C)CC(=O)NNC(=O)Nc1nccn(C)c1=O 273383070 HZDJCHLXDCGACE-UHFFFAOYSA-N 267.289 -0.021 50 20 CBGD COC(=O)C1(C(=O)NNc2nccc(OC)n2)CC1 274283751 DQAJDYCNYUAVAG-UHFFFAOYSA-N 266.257 -0.119 50 20 CBGD COC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)Cc1cccnc1 285676139 QRCWZXWBMBURTP-QWRGUYRKSA-N 291.307 -0.029 50 20 CBGD C[C@@](O)(C(=O)NNC(=O)Cc1cccnc1)C1CC1 286203969 RSYRLDQLBHWRHW-ZDUSSCGKSA-N 263.297 -0.068 50 20 CBGD C[C@@H](C[S@](C)=O)N(C)Cc1ccc(B(O)O)cc1 399962087 SNMZMCHHOBINQD-YPMLDQLKSA-N 269.175 -0.435 50 20 CBGD OB(O)c1ccc(OCCCO[C@H]2CCOC2)cc1 584909019 AELBHCYVKOVZJU-ZDUSSCGKSA-N 266.102 -0.059 50 20 CBGD CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)c1ccc(B(O)O)cc1 584948293 BEWIRKOQEAURBO-UPJWGTAASA-N 289.140 -0.090 50 20 CBGD CC(C)[C@@H]1CN(C)CCN1C(=O)c1cccc(B(O)O)c1 584950054 OMZFGRPKHXCQKY-AWEZNQCLSA-N 290.172 -0.221 50 20 CBGD C[C@@H](CCO)NC(=O)c1ccc(B(O)O)c(F)c1 584959014 AZBVHUUDDNLDKT-ZETCQYMHSA-N 255.054 -0.994 50 20 CBGD O=C(N[C@H]1CCCC[C@@H]1O)c1cc(B(O)O)ccc1F 584964582 KAGVYVAYEPDLDH-RYUDHWBXSA-N 281.092 -0.461 50 20 CBGD O=C(N[C@@H]1CCCOCC1)c1ccc(B(O)O)cc1 584970828 HHKHSVJLQNHROE-GFCCVEGCSA-N 263.102 -0.335 50 20 CBGD C[C@H]1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)O1 585000209 ZWQNBUFHFQXATR-JOYOIKCWSA-N 263.102 -0.336 50 20 CBGD CC(C)NC(=O)C[C@H](C)NCc1cccc(B(O)O)c1 585022959 DPQWAHHOCDGJQO-NSHDSACASA-N 278.161 -0.241 50 20 CBGD O=C1CCC[C@@H](CNCc2ccc(B(O)O)cc2F)N1 585038552 HUJUDCDJMDKLFI-NSHDSACASA-N 280.108 -0.736 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc(C(F)(F)F)nc1 585059175 BXBUYMKMCNKTCO-UHFFFAOYSA-N 284.024 -0.609 50 20 CBGD CN(CC(C)(CO)CO)S(=O)(=O)CCCCl 689205638 HMUKYLQEQKVEHJ-UHFFFAOYSA-N 273.782 -0.132 50 20 CBGD O=C1CC(C(=O)NNC(=O)c2ccccc2F)=NN1 731865358 CFLZUPYVZZYTPE-UHFFFAOYSA-N 264.216 -0.537 50 20 CBGD O=C(O)NCCC(=O)NNC(=O)CC(F)(F)F 739938662 VDQPZGSDVRZFQK-UHFFFAOYSA-N 257.168 -0.256 50 20 CBGD Cc1cc(C(=O)NNC(=O)CC[C@]2(C)CCC(=O)N2)n[nH]1 753432256 XYKVOQZLSUKROB-ZDUSSCGKSA-N 293.327 -0.072 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H]1CN(C)CCO1 770249040 ZGSZZUHFXBJSEA-QMMMGPOBSA-N 292.430 -0.825 50 20 CBGD CN(CCN(C)C1CC1)CC(=O)NNC(=O)C1CC1 770684438 DCYNIUIJNRCAPA-UHFFFAOYSA-N 268.361 -0.430 50 20 CBGD Cn1nncc1NC(=O)NNC(=O)c1ccccn1 809907010 WKSAEHNYNQLNJC-UHFFFAOYSA-N 261.245 -0.323 50 20 CBGD CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1cnnn1C 814762665 HKOWKNAIBQIEEN-JTQLQIEISA-N 294.359 -0.376 50 20 CBGD C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)CC1CC1 819140136 CUPLBJXLHDVECU-WRWORJQWSA-N 283.328 -0.791 50 20 CBGD CC(C)NC(=O)N1CCC[C@H]1C(=O)NN(C)[C@@H](C)CO 823945948 AUWQUOPLLMCNOU-QWRGUYRKSA-N 286.376 -0.087 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CNC(=O)c1ccc(F)cc1 823994162 ZZFVGYMAWOZWED-VIFPVBQESA-N 283.303 -0.101 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1CCCc2nn[nH]c21 824621328 NESGADPORBETEN-MRVPVSSYSA-N 294.315 -0.702 50 20 CBGD O=C(O)NCC(=O)NNc1ncccc1[N+](=O)[O-] 832397187 OEVXEVBOYGDWCJ-UHFFFAOYSA-N 255.190 -0.300 50 20 CBGD Cc1nc[nH]c1CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843971473 QPDVEAIUGKRISI-BDAKNGLRSA-N 266.301 -0.167 50 20 CBGD COc1ccc(NNC(=O)[C@@H]2CCS(=O)(=O)N2)nc1 845987950 OJRDDLLQGZAJFA-QMMMGPOBSA-N 286.313 -0.775 50 20 CBGD C=C[C@H](CO)NCC(=O)NNC(=O)c1cccc(C)c1 852714492 SJIOFSVKNVTNLA-GFCCVEGCSA-N 277.324 -0.107 50 20 CBGD O=C(NNC(=O)C1(n2cnnn2)CC1)c1ccccn1 854122539 PEWTZYZHMREGMR-UHFFFAOYSA-N 273.256 -0.982 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)Cn1cc(C2CC2)cn1 854291193 RMDAPCMMMIVIQA-UHFFFAOYSA-N 293.327 -0.568 50 20 CBGD CNC(=S)N(C)NC(=O)c1c(OC)ncnc1OC 854923802 JNJIVAHQFPYUBF-UHFFFAOYSA-N 285.329 -0.425 50 20 CBGD CNC(=S)N(C)NC(=O)COc1c(C)nn(C)c1C 854924531 KKGHDARENDBKQY-UHFFFAOYSA-N 285.373 -0.117 50 20 CBGD C[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)C[C@@H]1CO 856795164 BLEPGUBHYFFSED-MWLCHTKSSA-N 269.345 -0.506 50 20 CBGD COc1cc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)[nH]n1 861805395 XIPRKHWUJJBUES-UHFFFAOYSA-N 297.315 -0.060 50 20 CBGD CCC(C)(C)OCC(=O)NNC(=O)CS(C)(=O)=O 863466236 RXQCRAPYGCFUHU-UHFFFAOYSA-N 280.346 -0.616 50 20 CBGD COC(=O)[C@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 863871204 DFNDGEOXWGOMEM-GFCCVEGCSA-N 291.112 -0.466 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@@H]1CCCO1 869910497 JCJWDFVRXUENGP-VIFPVBQESA-N 260.290 -0.634 50 20 CBGD CCOCc1cn([C@@H](C)C(=O)NNC(=O)CC)nn1 881292811 GYHVQJFTASYHDC-QMMMGPOBSA-N 269.305 -0.067 50 20 CBGD CCC1CCN(S(=O)(=O)N2CC[C@@H](B(O)O)C2)CC1 899571452 XOKMEBUOTJTGMY-LLVKDONJSA-N 290.194 -0.098 50 20 CBGD CCn1cc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)nn1 901263391 YLROGDDRIIOODM-NEPJUHHUSA-N 292.343 -0.389 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 910176174 ZPZQZVKWNQMDTB-AUTRQRHGSA-N 287.385 -0.216 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1nccs1 913733221 ZZEQWRCUKOOKQG-UHFFFAOYSA-N 268.298 -0.474 50 20 CBGD COCCN(C)CCCNC(=O)NNC(=O)C(C)C 916582148 OUUSBIOVFLYNEI-UHFFFAOYSA-N 274.365 -0.059 50 20 CBGD CC(=O)NNC(=O)c1ccc(-n2cnnn2)c(C)c1 920430320 IKRRZQSJZLSDHP-UHFFFAOYSA-N 260.257 -0.248 50 20 CBGD Cc1oc2ncn(C)c(=O)c2c1C(=O)NN(C)C(N)=O 1116531077 YWDXZBDKVDLNHG-UHFFFAOYSA-N 279.256 -0.510 50 20 CBGD CCO[C@@H](C)C(=O)NNc1nc(O)c2cnn(C)c2n1 1253272620 IESIYFLKKCDUKG-LURJTMIESA-N 280.288 -0.063 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(C(C)C)nn1C 1319296243 UZEZGKPFGYVAEH-UHFFFAOYSA-N 295.343 -0.171 50 20 CBGD COc1ncnc(N(C)C)c1NC(=O)NNC(=O)CCO 1320222727 HYXATUHEBZXLNP-UHFFFAOYSA-N 298.303 -0.914 50 20 CBGD CC(C)(C)C(=O)NNC(=O)c1cnn(C[C@H](O)CO)c1 1328120251 AUMVWPDZJHWNEQ-VIFPVBQESA-N 284.316 -0.957 50 20 CBGD Cn1nccc1COCC(=O)N1CC[C@@H](B(O)O)C1 1329215611 PQSANWRPTSHMIE-SECBINFHSA-N 267.094 -0.988 50 20 CBGD Cc1c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)nnn1C 1329539453 OLYANBOBMMBDFD-HTQZYQBOSA-N 267.289 -0.690 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@H]1CCC(=O)[C@@H]1C 1329608872 PQGPVPFGCBAHNA-NXEZZACHSA-N 286.328 -0.198 50 20 CBGD O=C(NN=c1cc[nH]cc1)C1(CO)CCOCC1 1329616996 FSJKAXYAIIWSDG-UHFFFAOYSA-N 251.286 -0.264 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCc2c[nH]nc2C1 1329668151 AHVVBJCTSOKMNN-MRVPVSSYSA-N 293.327 -0.813 50 20 CBGD C#CCSCCNC(=O)NNC(=O)c1cccnn1 1330829700 BTOUEJWUZIMYPA-UHFFFAOYSA-N 279.325 -0.213 50 20 CBGD Cn1ccnc(NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)c1=O 1335551544 GDBUZQVDWMTEEQ-NBEYISGCSA-N 262.269 -0.552 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@H]1CCCCCN1 1336274544 WAPGBEANXLIPLP-SNVBAGLBSA-N 272.349 -0.115 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CCc1nc(N(C)C)no1 1339538597 DLVFSJYSJYAIEO-MRVPVSSYSA-N 271.321 -0.588 50 20 CBGD Cn1ccc(CCC(=O)NNC(=O)CN2CCCC2=O)n1 1339720320 CZJBVMLGHCOIGQ-UHFFFAOYSA-N 293.327 -0.878 50 20 CBGD Cc1cc(C)nc(NNC(=O)CN2C(=O)CCC2=O)n1 1347416463 HBFNQGVACJBXSW-UHFFFAOYSA-N 277.284 -0.314 50 20 CBGD Cc1nnc(NNC(=O)N[C@H]2CCN[C@H](C)C2)n1C 1579912805 PZGKFDNFTOSLBZ-APPZFPTMSA-N 267.337 -0.110 50 20 CBGD O=C(Cc1nc(C2CC2)n[nH]1)NNC(=O)[C@@H]1CCCNC1 1580577654 HZTBONBQRCSMQI-SECBINFHSA-N 292.343 -0.628 50 20 CBGD CC(C)(C)C(=O)NNS(=O)(=O)CCC(=O)O 1589693349 HEIQPBMTHSTFPL-UHFFFAOYSA-N 252.292 -0.542 50 20 CBGD CCN(CCO)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1590714747 UAZBGPACGUJRMD-UHFFFAOYSA-N 265.277 -0.846 50 20 CBGD C[C@](CCF)(NC(=O)c1cccc(B(O)O)c1)C(=O)O 1592498135 VGJYSRLTUFHSHO-GFCCVEGCSA-N 283.064 -0.701 50 20 CBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=O)c1cccn1C 1593926966 QZTMTRISQFYAEY-LLVKDONJSA-N 269.257 -0.724 50 20 CBGD O=C(NNC(=O)[C@@H]1CC[C@H]1C(=O)O)[C@H]1C[C@H]2CC[C@H]1O2 1594782582 BXBXABFUGNVHJM-GRDBIXFFSA-N 282.296 -0.188 50 20 CBGD Cc1nc(O)c(-c2nn[nH]n2)c(C)c1CCC(=O)NN 1605457304 GTZSPUIBUWCWEJ-UHFFFAOYSA-N 277.288 -0.493 50 20 CBGD O=C(O)CNC(=O)NNS(=O)(=O)CCCCCl 1610783912 UKJUPWROFAEVML-UHFFFAOYSA-N 287.725 -0.776 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@H]1C1CC1)C(=O)N1CCCC1 175915401 DPCOCJJFXAYVSO-UWVGGRQHSA-N 265.313 -0.198 50 20 CBGD COc1cccc(NNC(=O)Cn2ncn(C)c2=O)n1 183032438 OXVAAHQDRCSUEI-UHFFFAOYSA-N 278.272 -0.871 50 20 CBGD CCOCCOCCOc1ccc(B(O)O)cc1 199013847 HHNMFIGWSOXDEN-UHFFFAOYSA-N 254.091 -0.202 50 20 CBGD COCCOCC(=O)NNC(=O)COc1ccccc1O 264515867 UUBMYDIQCBFDKK-UHFFFAOYSA-N 298.295 -0.419 50 20 CBGD COC(=O)[C@@H](C)N(C)CC(=O)NNC(=O)c1ccccc1 280770700 PCRHQONQYCWNGO-SNVBAGLBSA-N 293.323 -0.059 50 20 CBGD COc1ncccc1C(=O)NNC(=O)N1CCOCC1 299323765 ACJWUNILKXTPFA-UHFFFAOYSA-N 280.284 -0.223 50 20 CBGD O=S(=O)(CBr)NC[C@H]1CN2CCN1CC2 363700629 NGADWAFVEDYQHE-QMMMGPOBSA-N 298.206 -0.742 50 20 CBGD O=C(NNC(=O)[C@H]1CN2CCCN1CC2)c1ccccc1 368571508 DBSCGNBUMXFUJW-CYBMUJFWSA-N 288.351 -0.163 50 20 CBGD C[C@@H](C(=O)Nc1cccc(B(O)O)c1)N1CCOCC1 584909195 ARIMOBOEOHEPRU-JTQLQIEISA-N 278.117 -0.974 50 20 CBGD COC[C@@H](C)CN(C)C(=O)c1cc(B(O)O)ccc1F 584959344 ASDHRKFROYQVHJ-VIFPVBQESA-N 283.108 -0.140 50 20 CBGD C[C@@H](CCO)CNC(=O)c1cc(B(O)O)ccc1F 584960524 QTVJNPGGIPCINF-QMMMGPOBSA-N 269.081 -0.746 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC(CCCO)CC1 584973058 KMKLORCBOLPFTN-UHFFFAOYSA-N 291.156 -0.009 50 20 CBGD CC(C)[C@H](NC(=O)c1cccc(B(O)O)c1)c1ncon1 584982659 MGALMNLMFBEIAN-NSHDSACASA-N 289.100 -0.124 50 20 CBGD C=CCO[C@@H](C)CNC(=O)c1cccc(B(O)O)c1 584987261 SKZAPBDIYKMCPG-JTQLQIEISA-N 263.102 -0.313 50 20 CBGD C=CCO[C@H](C)CNC(=O)c1cc(B(O)O)ccc1F 584987792 ZIZQEVONTXYXMW-SECBINFHSA-N 281.092 -0.174 50 20 CBGD O=C(Nc1cc2n(n1)CCCC2)c1cccc(B(O)O)c1 584989573 QXBGOEWLMAIEMK-UHFFFAOYSA-N 285.112 0.152 50 20 CBGD CCN(C(=O)c1ccc(B(O)O)c(F)c1)[C@@H](C)C#N 585006627 XZKIHXRLZVRKQF-QMMMGPOBSA-N 264.065 -0.120 50 20 CBGD CC[C@@H]1COC[C@H]1NC(=O)c1cccc(B(O)O)c1 585008498 WCKIKGZAEUKYBJ-BXKDBHETSA-N 263.102 -0.479 50 20 CBGD OB(O)c1ccc(CNC[C@H]2CN3CCCC[C@@H]3CO2)o1 585033895 HYDNUVKZXMDRTR-YPMHNXCESA-N 294.160 -0.698 50 20 CBGD CN1C[C@@H](c2nc(-c3cccc(B(O)O)c3)no2)CC1=O 585053416 KJXFLSSWRRXWDT-VIFPVBQESA-N 287.084 -0.638 50 20 CBGD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCB(O)O 585054884 SNHFLFDOSCCOCT-UHFFFAOYSA-N 274.063 -0.806 50 20 CBGD CCc1ccccc1N1C[C@@H](C(=O)NCB(O)O)CC1=O 585058423 FOCNQLGLWDHXCU-NSHDSACASA-N 290.128 -0.270 50 20 CBGD O=C(COC(=O)[C@H](O)C1CC1)NNC(=O)c1ccccc1 730881182 RUYCHNOUFMSHBP-GFCCVEGCSA-N 292.291 -0.238 50 20 CBGD CCOCC(=O)NNC(=O)NCCOC[C@H]1CCCO1 734677078 JCGIQASGKGHVBS-SNVBAGLBSA-N 289.332 -0.451 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@@]12CCC(=O)N1CCS2 745139846 SKKGJZSFHYCBEB-NSHDSACASA-N 286.357 -0.209 50 20 CBGD O=C(CO)NNC(=O)COCc1nc2ccccc2s1 753437280 HHSJCIMNTDONER-UHFFFAOYSA-N 295.320 -0.047 50 20 CBGD O=C(CNC(=O)c1ccco1)NN=Cc1cnc[nH]1 755678561 JKGAMFDPIQVAPS-UHFFFAOYSA-N 261.241 -0.117 50 20 CBGD CN1CCCC(=NNC(=O)C(=O)NC2CC2)CC1 758100313 SLWXISGFEOSRBO-UHFFFAOYSA-N 252.318 -0.147 50 20 CBGD COc1ccc2c(c1)[C@@H](C(=O)NNC(=O)CO)CC2 762899400 LKRLTCPKMUEHHS-JTQLQIEISA-N 264.281 -0.135 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(C#N)c1C 764303678 VKMIKPHSOYUZKH-UHFFFAOYSA-N 290.279 -0.401 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=CC[C@H]1CCOC1 765570772 BQTJRFUXTXAZDH-BDAKNGLRSA-N 277.346 -0.547 50 20 CBGD CN1CCC[C@H]2CN(CC(=O)NNC(=O)C3CC3)CC[C@H]21 766991223 ZZEQHKAYUOBBCR-QWHCGFSZSA-N 294.399 -0.040 50 20 CBGD Cc1ccn(CC(=O)NNC(=O)c2c[nH]nc2C)c(=O)c1 772229257 FPNCEOFBOBQQTQ-UHFFFAOYSA-N 289.295 -0.351 50 20 CBGD Cc1cc(C(=O)NNC(=O)N2CCN(C)CC2)n[nH]1 773658521 NFEXNBNDFVERDQ-UHFFFAOYSA-N 266.305 -0.680 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)C[C@@H](O)C(F)(F)F 774773259 YAYCDFQOTNAOCB-SSDOTTSWSA-N 283.250 -0.601 50 20 CBGD NC(=O)C1=NO[C@H](CNS(=O)(=O)CCCCCl)C1 784729647 XOZCQHRSIDCZQM-ZETCQYMHSA-N 297.764 -0.445 50 20 CBGD C[C@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)[C@H]1CO 785517655 WXLFVVFMOSHVTR-UWVGGRQHSA-N 271.361 -0.117 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1nc(C2CCC2)cs1 789740054 SOJWTJXBTOEKST-UHFFFAOYSA-N 298.324 -0.511 50 20 CBGD O=C(Cn1cnnn1)NNc1cccc(F)c1[N+](=O)[O-] 790594844 OVKFYUNIYCPEMP-UHFFFAOYSA-N 281.207 -0.136 50 20 CBGD C[C@@H](C(=O)NNC(=O)NCC(F)(F)F)N(C)C 798315353 SNVLPSRAYPWIQD-YFKPBYRVSA-N 256.228 -0.171 50 20 CBGD CO[C@H]1CCC[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)C1 814407698 KEHCAFYDPGZOBW-QWRGUYRKSA-N 297.355 -0.039 50 20 CBGD CN(NC(=O)CN(C)S(=O)(=O)c1cccnc1)C1CC1 819647261 KICBZVWDQDFZRQ-UHFFFAOYSA-N 298.368 -0.173 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccc(N2CCOCC2)nc1 823976869 KJPHTJOONPEBDO-LLVKDONJSA-N 294.355 -0.124 50 20 CBGD CCOCCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 825681060 FQFITGAIEUEHFC-DTWKUNHWSA-N 259.306 -0.222 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H]1CCCN1C=O 831575393 IJWRGKLBYFJJSW-QMMMGPOBSA-N 290.414 -0.535 50 20 CBGD CC[C@H](CS(=O)(=O)NNC(=O)[C@H]1CCO[C@H]1C)OC 842589732 LABKCIPNOJZUEF-AEJSXWLSSA-N 294.373 -0.213 50 20 CBGD CCn1ccc(CC(=O)NNC(=O)NCCCOC)n1 845299177 WVMTYCCUTSIZAT-UHFFFAOYSA-N 283.332 -0.188 50 20 CBGD CC(=O)CC1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCC1 862459588 WFTWGLNDWPSPFS-VIFPVBQESA-N 281.312 -0.438 50 20 CBGD C=CCC(F)(F)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862459888 BVCPAWVTBGYTSC-ZCFIWIBFSA-N 261.228 -0.376 50 20 CBGD C[C@@H](OC[C@H]1CCCO1)C(=O)NNC(=O)c1cn[nH]c1 862474891 SMAHIJPBDGDERG-PSASIEDQSA-N 282.300 -0.245 50 20 CBGD CCS(=O)(=O)NCC(=O)NNc1cccc(C)n1 862522225 NUFGAESIBYSVDU-UHFFFAOYSA-N 272.330 -0.228 50 20 CBGD COC(=O)C1(NC(=O)c2ccc(B(O)O)cc2)CCC1 863876165 PGXAIAIKMFYAGG-UHFFFAOYSA-N 277.085 -0.808 50 20 CBGD CN(CCNCc1ccccc1B(O)O)CC(F)F 863891923 GVKGRNQUFUWVDI-UHFFFAOYSA-N 272.104 -0.347 50 20 CBGD C#CCCCC(=O)NNC(=O)C[C@@H]1CCCC(=O)N1 887149369 UDRWOCJBFCUYOE-JTQLQIEISA-N 265.313 -0.004 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CCN2CCOCC2)n1 895760172 BHZMMCYPQOQHCM-UHFFFAOYSA-N 292.339 -0.127 50 20 CBGD CCN1CCC[C@@H](NCc2ccccc2B(O)O)C1=O 896728566 BSDHZWCEXZZXHQ-CYBMUJFWSA-N 276.145 -0.533 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1 1116451771 IXIYSPGKJYJIFC-NKWVEPMBSA-N 292.299 -0.063 50 20 CBGD Cc1nn(C)c2ncc(NC(=O)NNC(=O)CCO)cc12 1116595349 YRPOVOKCBHFCNS-UHFFFAOYSA-N 292.299 -0.188 50 20 CBGD CCn1nncc1C(=O)NNc1ncncc1F 1117730637 NTDZNVPNGYHNDC-UHFFFAOYSA-N 251.225 -0.016 50 20 CBGD COC/C(C)=C/C(=O)NNC(=O)c1cccnn1 1119605227 ONMIRQWUAWTVCV-SOFGYWHQSA-N 250.258 -0.170 50 20 CBGD O=C(NNc1ncc(Cl)cn1)C(=O)NC1CC1 1261781957 PQHAFGCUYWUBJZ-UHFFFAOYSA-N 255.665 -0.148 50 20 CBGD CCO[C@H]1COCC[C@@H]1NC(=O)NNC(=O)c1cn[nH]c1 1261790803 VVKAZORBVKFOIQ-UWVGGRQHSA-N 297.315 -0.452 50 20 CBGD CCC(=O)NNS(=O)(=O)c1ccc(C#N)nc1 1318170451 PSJUTYJIANLKEZ-UHFFFAOYSA-N 254.271 -0.327 50 20 CBGD COC(=O)C(=O)NNC(=O)Nc1ccc(OC)nc1 1318953322 JOCMDIKKDRDQGK-UHFFFAOYSA-N 268.229 -0.584 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)CCc2nc[nH]n2)n1 1318959710 DPMXIBURZAZWQG-UHFFFAOYSA-N 291.315 -0.602 50 20 CBGD CNC(=O)NNC(=O)c1cccc(-n2cccn2)n1 1318972140 KVTBIGVBFLAUQA-UHFFFAOYSA-N 260.257 -0.159 50 20 CBGD CNC(=O)c1cccc(C(=O)NNC(=O)c2ccccn2)n1 1319699343 DNYDMHAGGIDCND-UHFFFAOYSA-N 299.290 -0.089 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)c2nc[nH]n2)n1 1320086946 TUVQEWXJTOUPTI-UHFFFAOYSA-N 254.641 -0.413 50 20 CBGD COc1ccc(C#N)cc1NC(=O)C(=O)NNC(C)=O 1320348776 CHNIPHNKODAUBU-UHFFFAOYSA-N 276.252 -0.327 50 20 CBGD Cn1nncc1S(=O)(=O)NNC(=O)c1ccccc1 1321824930 FHIXRLWLUKCFRQ-UHFFFAOYSA-N 281.297 -0.562 50 20 CBGD CC(=O)NNC(=O)c1ccc(S(N)(=O)=O)cc1F 1324401739 WHINAMSQANUXMI-UHFFFAOYSA-N 275.261 -0.746 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc[n+]1[O-] 1328567436 DXXDSQOWCMLJDB-DTWKUNHWSA-N 265.269 -0.494 50 20 CBGD O=C(Cc1ncccc1F)NNC(=O)C(=O)NC1CC1 1328857111 AEYAELFGTQYPPU-UHFFFAOYSA-N 280.259 -0.811 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1cnn(C)c1 1334906280 INUSWLOBLBDKDU-CBAPKCEASA-N 294.315 -0.910 50 20 CBGD CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc[nH]n1 1347628809 MZXAVPVZAWGFRN-QMMMGPOBSA-N 270.314 -0.315 50 20 CBGD CN(NC(=O)C[C@@H]1CNCCS1(=O)=O)c1ccccn1 1578506266 JOJMDYCTENXRFS-SNVBAGLBSA-N 298.368 -0.674 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccc(-c2nn[nH]n2)s1 1590001024 UJVUEDLERFJCFW-LURJTMIESA-N 282.329 -0.114 50 20 CBGD CC(C)[C@H](C(=O)O)C(=O)NNC(=O)c1ncon1 1602970029 JBBCPIWIWACHBG-YFKPBYRVSA-N 256.218 -0.813 50 20 CBGD Cc1ccc2c(c1)N(C(=O)C(=O)NNC(=O)C(=O)O)CC2 1610516600 KMNVOHVLUJLKAZ-UHFFFAOYSA-N 291.263 -0.884 50 20 CBGD CC(=O)NNC(=O)CNC(=O)Nc1ccccc1 23199028 RTRMPSAKGGXPFW-UHFFFAOYSA-N 250.258 -0.025 50 20 CBGD CC(C)COCCC(=O)NNC(=O)C(=O)NC1CC1 42884706 MJXWHCYQHQYVSN-UHFFFAOYSA-N 271.317 -0.525 50 20 CBGD CNC(=O)NNC(=O)[C@H](NC(C)=O)C1CCCC1 48949743 SNANHTNZMXWKOM-SECBINFHSA-N 256.306 -0.359 50 20 CBGD CN(CC(=O)NNC(=O)c1cccs1)[C@@H]1CCNC1 71310581 DVSQNEFOBJQNMK-SECBINFHSA-N 282.369 -0.197 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)Cc2cc[nH]n2)O1 186109824 DVUHUEXSEMAUAG-CBAPKCEASA-N 252.274 -0.333 50 20 CBGD CC(C)CC(=O)NNC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 268453041 MSAUNWHJFNQMFR-BDAKNGLRSA-N 286.332 -0.604 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C1SCCS1 270458765 FFWQFHAYTFJFDK-UHFFFAOYSA-N 277.371 -0.536 50 20 CBGD COC(=O)NCC(=O)NNc1nccnc1OC 274119809 SLDAGIXPEHRIPF-UHFFFAOYSA-N 255.234 -0.716 50 20 CBGD CC(=O)NNC(=O)C1=C(C)N(C)c2ncnn2[C@H]1C 277623818 YNIYFZPRXXGBET-ZETCQYMHSA-N 264.289 -0.270 50 20 CBGD Cc1cccc(C(=O)NNC(=O)N2CCN(C)CC2)n1 278714325 TZAOHSCSUQOVJJ-UHFFFAOYSA-N 277.328 -0.008 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CC(=O)N(CC)C1 281078659 FULKJXIEULHLLS-QMMMGPOBSA-N 270.358 -0.464 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)NC2CC2)[nH]1 292952854 OLDWUBOQOSXZQZ-UHFFFAOYSA-N 266.257 -0.092 50 20 CBGD O=C(CN1CSCC1=O)NNc1ncncc1F 294131097 TZWUOSWKFABSEG-UHFFFAOYSA-N 271.277 -0.408 50 20 CBGD CNC(=O)CNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C 490611710 SUNNVOBXBVPNOR-WCIBSUBMSA-N 285.307 -0.026 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@H](CO)C1 584931450 VWZZRZATOXWPMJ-VIFPVBQESA-N 281.092 -0.650 50 20 CBGD C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(B(O)O)cc1 584957946 LAMPNHFLNXFSCO-HZMBPMFUSA-N 288.156 -0.421 50 20 CBGD C[C@H](O)[C@@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584964861 MHRNNZAJNFFMBX-GXSJLCMTSA-N 295.119 -0.262 50 20 CBGD N#CC1(NC(=O)c2ccc(B(O)O)cc2)CCSCC1 584966715 JEVJNIYXQDRMAK-UHFFFAOYSA-N 290.153 -0.114 50 20 CBGD C[C@@H]1[C@@H](N(C)C)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584991470 AZNBOGONAFGDFI-RNCFNFMXSA-N 294.135 -0.330 50 20 CBGD CN1CCCC[C@H](CNC(=O)c2ccc(B(O)O)cc2)C1 585010389 PKPDNLCIJSWQJL-GFCCVEGCSA-N 290.172 -0.172 50 20 CBGD CS[C@H](CO)[C@H](C)NCc1ccccc1B(O)O 585027600 CAFJWHWHNGZQGJ-JOYOIKCWSA-N 269.175 -0.432 50 20 CBGD OB(O)c1ccc(CN[C@H]2COc3ccccc3[C@@H]2O)o1 585040392 DXCYHYRUJPBUBE-FZMZJTMJSA-N 289.096 -0.456 50 20 CBGD C=CCN1C(=O)c2ccc(C(=O)NCB(O)O)cc2C1=O 585058608 KJTZVZHDNDMVHP-UHFFFAOYSA-N 288.068 -0.790 50 20 CBGD O=C(CNC(=O)NCc1ccc(Cl)cc1)NCB(O)O 585062495 TZNPZBSTHASABT-UHFFFAOYSA-N 299.523 -0.733 50 20 CBGD CN(C)C(=O)NNC(=O)CCNC(=O)c1ccco1 746012501 DLFLMTDWAWNIHI-UHFFFAOYSA-N 268.273 -0.298 50 20 CBGD COc1ncnc(N)c1C=NNC(=O)C(=O)NC(C)C 747629098 BQGYTOVJMSHTST-UHFFFAOYSA-N 280.288 -0.958 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 750654564 DDKDFZYFISMTJI-MRVPVSSYSA-N 284.316 -0.883 50 20 CBGD CNC(=O)NNC(=O)Cn1cnc(-c2ccccc2)n1 761429071 FJGJBKSEEXEYPB-UHFFFAOYSA-N 274.284 -0.095 50 20 CBGD CO[C@]1(CNC(=O)NNC(=O)C(C)C)CCOC1 763712442 HEKMDPKZCXMRNJ-NSHDSACASA-N 259.306 -0.222 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CCC[C@@H]1C(=O)NC 766274722 FINCEGYRFNFVCS-IUCAKERBSA-N 286.332 -0.732 50 20 CBGD COC(=O)C1(C(=O)NNC(=O)c2c[nH]nc2C)CC1 767994286 OHROJENQKUSDCF-UHFFFAOYSA-N 266.257 -0.568 50 20 CBGD NC(=O)N[C@@H](CO)C(=O)NNc1c(F)cccc1Cl 771673957 JRIUXZAYNOYMAB-ZETCQYMHSA-N 290.682 -0.049 50 20 CBGD COC(=O)[C@H](C)CN(CC(=O)NNC(=O)C1CC1)C1CC1 772728486 HQRSBMSPDADOIM-SECBINFHSA-N 297.355 -0.183 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)c1ccncn1 777708459 LLZDBSARFFKSJR-UHFFFAOYSA-N 257.253 -0.125 50 20 CBGD CS(=O)(=O)N1CCC[C@@H]1C(=O)NN=c1cc[nH]cc1 780756205 BQBQLDTWJRJKTQ-SNVBAGLBSA-N 284.341 -0.629 50 20 CBGD CC(C)[C@H](F)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 784143375 CMWNYKAMNWCSPE-SFYZADRCSA-N 295.336 -0.502 50 20 CBGD CC(=O)NNS(=O)(=O)c1cccc2c1OCO2 800832200 YIXZHBQOMRDZKA-UHFFFAOYSA-N 258.255 -0.255 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cocn2)CC1 807379234 VUFFSACMQOHUIB-UHFFFAOYSA-N 253.262 -0.724 50 20 CBGD CSCC[C@@H](O)C(=O)NNC(=O)N1CCN(C)CC1 808033013 DPQFENRZBXPEKU-SECBINFHSA-N 290.389 -0.911 50 20 CBGD CCOCC(=O)NNC(=O)NCc1nc(N(C)C)no1 812219431 VUPFMTLHROFCKV-UHFFFAOYSA-N 286.292 -0.998 50 20 CBGD O=C(NN=C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 814781961 QGRDZZIJJOPJOJ-UWVGGRQHSA-N 274.342 -0.050 50 20 CBGD C[C@H](O)CN(C)NC(=O)Cn1nnc2c1CCCC2 821216987 CCVSQGMWRVTWJM-VIFPVBQESA-N 267.333 -0.499 50 20 CBGD COCCOCCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 825769771 DGYQWUMNNKOKHD-VHSXEESVSA-N 289.332 -0.595 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)CCn1cccn1 827300409 QNMJFELLBXDVDH-QWRGUYRKSA-N 295.343 -0.019 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H]2[C@H](N)CCC[C@H]2C1 843368835 ZYNUCVBNFOKAMT-NNYUYHANSA-N 282.388 -0.009 50 20 CBGD Cc1cnn(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1 843648781 ZGKQECLHRBQDOJ-NXEZZACHSA-N 266.301 -0.236 50 20 CBGD N#CSCCCNC(=O)Cn1cccnc1=O 854363441 ZWMLNRJEPSGFNU-UHFFFAOYSA-N 252.299 -0.036 50 20 CBGD CNC(=S)N(C)NC(=O)c1cnc2c(c1)NC(=O)CO2 854922371 HNLARKAZLIQDMQ-UHFFFAOYSA-N 295.324 -0.507 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@@H]1CCC(=O)N1C 855005104 BMRNKMWXDSBESN-GUBZILKMSA-N 283.328 -0.430 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=O)c1cccc(F)n1 856423196 NHUGJMDLEBXQGY-NSHDSACASA-N 271.248 -0.621 50 20 CBGD CC(=O)N1CC[C@@H](NC(=O)NNC(=O)C(C)(C)C)C1 856832884 UYLJQZXMZDGLFY-SECBINFHSA-N 270.333 -0.016 50 20 CBGD CC(C)N1C[C@H](NC(=O)NNC(=O)c2cn[nH]c2)CC1=O 858283222 DOSJZERFKSYNTQ-SECBINFHSA-N 294.315 -0.637 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H]1CCOC(=O)N1 858778570 NWNYZNSXBPVRPG-ZETCQYMHSA-N 258.278 -0.385 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cnn(C2CC2)c1 861205397 BUMBZTSUQFBMRO-UHFFFAOYSA-N 252.274 -0.250 50 20 CBGD CO[C@@H]1CCC[C@H](C(=O)NNC(=O)CS(C)(=O)=O)C1 863465552 GONISWIGECAXHB-DTWKUNHWSA-N 292.357 -0.616 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCCNC1=O 869068426 PZXXJZGDMAXODI-DJLDLDEBSA-N 269.301 -0.915 50 20 CBGD COCCOCC(=O)NNC(=O)COc1cccnc1 869909170 LHHZUMQUVATZEU-UHFFFAOYSA-N 283.284 -0.729 50 20 CBGD COC(=O)CNC(=O)NN=C(C)c1cn(C)cn1 872363799 RFXQLYLAEPXRDD-UHFFFAOYSA-N 253.262 -0.384 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 910176176 ZPZQZVKWNQMDTB-SBMIAAHKSA-N 287.385 -0.216 50 20 CBGD CC(=O)NCC(=O)NNC(=O)c1ccc2c(c1)OCO2 913415699 PMLGGDHILAPTLZ-UHFFFAOYSA-N 279.252 -0.688 50 20 CBGD Cn1cc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cn1 1115892676 GVBJZTZGGQPIMO-SECBINFHSA-N 285.329 -0.760 50 20 CBGD CNC(=O)NNC(=O)c1ccc(S(N)(=O)=O)c(C)c1 1116102907 OCLRYIRVLDHJPG-UHFFFAOYSA-N 286.313 -0.784 50 20 CBGD O=C(COCc1cccnc1)NNC(=O)Cc1cc[nH]n1 1259192017 VXHVXLWMSAFXLB-UHFFFAOYSA-N 289.295 -0.289 50 20 CBGD CS(=O)(=O)C1(C(=O)NNc2ncncc2F)CC1 1261247938 PFSGDQLNMZDLRL-UHFFFAOYSA-N 274.277 -0.364 50 20 CBGD Cc1nn[nH]c1C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1321421982 WPWDMPOEYLFPOL-UHFFFAOYSA-N 289.299 -0.210 50 20 CBGD CNC(=O)NNC(=O)c1ccc2nc(O)[nH]c2n1 1321484187 CCGYZLMYWMWOOC-UHFFFAOYSA-N 250.218 -0.763 50 20 CBGD Cn1cnnc1COCC(=O)NNC(=O)c1ccccn1 1324192297 WCMIVJXPQZYDQP-UHFFFAOYSA-N 290.283 -0.812 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cnn2ccncc12 1326830951 BORUAOBNJQAHOM-UHFFFAOYSA-N 290.283 -0.584 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc[n+]1[O-] 1328567437 DXXDSQOWCMLJDB-IUCAKERBSA-N 265.269 -0.494 50 20 CBGD C[C@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329172074 CHEMMLWDJQJGTR-UTLUCORTSA-N 298.343 -0.590 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2ccccc2O)N1 1329189699 AUONKCKHZIJTKQ-VIFPVBQESA-N 292.295 -0.499 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)Cc1ncc[nH]1 1334106400 MNWOSKOHGVBYCH-UHFFFAOYSA-N 281.316 -0.596 50 20 CBGD Cc1conc1NC(=O)C(=O)NNC(=O)CC1CC1 1337973812 GBNAPZGNEJYRFN-UHFFFAOYSA-N 266.257 -0.131 50 20 CBGD C[C@@H](Sc1nncn1C)C(=O)NN(C)C(N)=O 1341604812 YVKCHMGDKPLDSR-RXMQYKEDSA-N 258.307 -0.663 50 20 CBGD O=C(NNC(=S)NC[C@H]1CCOC1)C1CCOCC1 1350694090 WLDWBEZAZJXVPM-SECBINFHSA-N 287.385 -0.055 50 20 CBGD O=C(O)C1=NO[C@@H](C(=O)NNC(=O)c2ccncc2)C1 1574643371 BIAWKLHIKSMQKB-MRVPVSSYSA-N 278.224 -0.928 50 20 CBGD O=C(CC[C@H]1CCNC1)NNC(=O)c1cccnn1 1580527977 KNZCZBFETGORPX-VIFPVBQESA-N 263.301 -0.373 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccc(C(=O)O)cn1 1592762522 SUBRDBWPOLOBLI-SSDOTTSWSA-N 253.258 -0.263 50 20 CBGD CCc1onc(C)c1CNC(=O)NNC(=O)C(=O)O 1597813722 LLWXWJNGPBMKMX-UHFFFAOYSA-N 270.245 -0.540 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2ccc(C(=O)O)[nH]2)n[nH]1 1600095177 DXDKIUQRAOAQEV-UHFFFAOYSA-N 277.240 -0.181 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H]1CCC[C@@H]1C(=O)O 1604860492 VQMCXUUKRICYKP-XHNCKOQMSA-N 271.317 -0.225 50 20 CBGD C[C@@H](OC(=O)/C(C#N)=C\C1CC1)C(=O)NCC(=O)O 1609792440 WYGMOYCWDHGLRS-CPLNQPMESA-N 266.253 -0.021 50 20 CBGD O=C(O)CCC(=O)NNC(=O)Cc1cn2ccccc2n1 1611416672 UELHWTNQUSDLIN-UHFFFAOYSA-N 290.279 -0.111 50 20 CBGD CNC(=O)NNC(=O)COc1ccc(C(N)=O)cc1 49119633 QEFYRJZXFPNBBJ-UHFFFAOYSA-N 266.257 -0.876 50 20 CBGD COc1ncccc1C(=O)NNC(=O)c1cnn(C)c1 117678719 ZMPODDJZNYTLME-UHFFFAOYSA-N 275.268 -0.102 50 20 CBGD CCOC(=O)C(C)(C)C(=O)NNc1nccn(C)c1=O 270816856 YWLXKBCHFPOUOD-UHFFFAOYSA-N 282.300 -0.187 50 20 CBGD Cc1nn(C)c2ncc(C(=O)NNC(=O)C(C)(C)O)cc12 276190880 DTSBSWRIDZANRY-UHFFFAOYSA-N 291.311 -0.191 50 20 CBGD COC(=O)c1ccc(NNC(=O)CCCC(N)=O)nc1 279989561 VRGWIYFXIPWVGP-UHFFFAOYSA-N 280.284 -0.033 50 20 CBGD Cc1n[nH]c(SCC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)n1 294047072 YTSBXGUFZBJVER-XPUUQOCRSA-N 299.356 -0.080 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCO1)c1cnn(CCF)c1 294209173 YDQFNDIEMUJVAX-VIFPVBQESA-N 270.264 -0.207 50 20 CBGD CNC(=O)NNC(=O)[C@@H](C(C)C)N1CCCC1=O 299675237 QCSTYMKJTGJVAI-SECBINFHSA-N 256.306 -0.406 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)[C@@H]1CN2CCCN1CC2 494022876 GTMUTTMDYLFSRX-JTQLQIEISA-N 284.360 -0.068 50 20 CBGD CCN(CCNC(=O)c1ccc(B(O)O)cc1)C1CC1 584943070 IPKKHGWGEXNROQ-UHFFFAOYSA-N 276.145 -0.420 50 20 CBGD O=C(N[C@H](CO)CC1CC1)c1cccc(B(O)O)c1 584969051 IQGUGXJYHKTDGO-LBPRGKRZSA-N 263.102 -0.743 50 20 CBGD CC(C)(CO)CCNC(=O)c1cccc(B(O)O)c1 584996117 XWOVVNNBPHOJNN-UHFFFAOYSA-N 265.118 -0.495 50 20 CBGD C[C@H]1C[C@H](CO)CN(C(=O)c2cccc(B(O)O)c2)C1 585000992 SKCMAWJMUUDUMK-QWRGUYRKSA-N 277.129 -0.543 50 20 CBGD CC(C)NC(=O)CNCc1ccc(B(O)O)cc1F 585016515 PAAFFHUHAWGHMV-UHFFFAOYSA-N 268.097 -0.880 50 20 CBGD C[C@H](CCN1CCN(C)CC1)NCc1ccc(B(O)O)o1 585036992 SSYOUBHSBADNDA-GFCCVEGCSA-N 295.192 -0.925 50 20 CBGD CCN(C)C(=O)[C@@H](NCc1ccccc1B(O)O)C(C)C 585043012 HDRFZJYYBPEWRR-AWEZNQCLSA-N 292.188 -0.041 50 20 CBGD O=C(NCB(O)O)c1cc(Cl)ccc1-n1cnnn1 585055897 LDKFJCWDNDMZHI-UHFFFAOYSA-N 281.468 -0.943 50 20 CBGD CCCN1CCC[C@@H]1C(=O)N1CC[C@@H](B(O)O)C1 585069286 KTPVIZMGRWLFAJ-GHMZBOCLSA-N 254.139 -0.064 50 20 CBGD O=C(NCC(=O)N1CC[C@H](B(O)O)C1)NC1CCCCC1 585076678 OHMQHEHIWBKYQW-JTQLQIEISA-N 297.164 -0.306 50 20 CBGD COCCNC(=O)NNC(=O)[C@@H](C)OCCOC 733951199 CAIANSCAEIUKTC-MRVPVSSYSA-N 263.294 -0.985 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCO[C@@H](C#N)C1 744397956 GSAQOKQABRPUNN-VIFPVBQESA-N 268.317 -0.596 50 20 CBGD COc1ccnc(NNC(=O)NCC[S@](C)=O)n1 745845142 NUORGZAOBLLUJK-SFHVURJKSA-N 273.318 -0.510 50 20 CBGD CCOCC(=O)NNC(=O)NCc1c(C)nn(C)c1C 745912835 IOIKEERVMDSHIO-UHFFFAOYSA-N 283.332 -0.096 50 20 CBGD O=C(CO)NNC(=O)c1cccc([C@H]2CCOC2)c1 753444798 AWXSMVWEJOZPIJ-NSHDSACASA-N 264.281 -0.056 50 20 CBGD Cc1cc(O)cc(=O)n1CC(=O)NNc1cccnn1 760124450 DVNBUWCDWVDWBD-UHFFFAOYSA-N 275.268 -0.204 50 20 CBGD C[C@H]1CC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)CN1C 761811302 IMRPXRABMPVTCO-IUCAKERBSA-N 288.373 -0.447 50 20 CBGD O=C(CNC(=O)c1cccnc1)NNC1=N[C@H]2C=C[C@H]1C2 763193481 OAESUHUHVIJRJG-ONGXEEELSA-N 285.307 -0.211 50 20 CBGD CCCn1cc(C(=O)NNC(=O)c2cnn(C)c2)nn1 766464384 GSLIVXZOIUCYCF-UHFFFAOYSA-N 277.288 -0.504 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C)[nH]n1 772033836 CRHDVLGXCLRWLY-SSDOTTSWSA-N 268.273 -0.179 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCOC1 772047610 LCWHVNJUKRBNNO-YUMQZZPRSA-N 258.274 -0.488 50 20 CBGD CC(C)CC(=O)NNC(=O)NCc1nnn(C)n1 787438043 XCAIYHRPADWZPD-UHFFFAOYSA-N 255.282 -0.913 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cc([N+](=O)[O-])n[nH]1 796246149 IRSOTFPXYYEXGE-UHFFFAOYSA-N 279.216 -0.576 50 20 CBGD CCOC1CC(C(=O)NNC(=O)N2CCOCC2)C1 805171065 LNMDKBJTYMCTSS-UHFFFAOYSA-N 271.317 -0.126 50 20 CBGD CN1CCN(C(=O)NNC(=O)C[C@H]2CCCOC2)CC1 807380020 MSPYYLUAJBTCDH-LLVKDONJSA-N 284.360 -0.209 50 20 CBGD CCS(=O)(=O)CC(C)=NNC(=O)Cc1cc[nH]n1 814954702 KITAVMCRINHELV-UHFFFAOYSA-N 272.330 -0.121 50 20 CBGD C[C@@H](CO)N(C)NC(=O)C(F)(F)C1(O)CCC1 823945936 ARGZGLXIIMOGPD-ZETCQYMHSA-N 252.261 -0.120 50 20 CBGD COC(=O)N(C)CCCC(=O)NN(C)[C@H](C)CO 823959417 ICUPUVLBNIJMFJ-SECBINFHSA-N 261.322 -0.191 50 20 CBGD COc1cc(C)nc(NNC(=O)CCNC(=O)O)n1 829102010 QYFWBONGGVYGKM-UHFFFAOYSA-N 269.261 -0.106 50 20 CBGD Cc1cc(C(=O)NNC(=O)C2(N(C)C)CC2)n[nH]1 831424886 RRHXNLYYIKGZNN-UHFFFAOYSA-N 251.290 -0.427 50 20 CBGD COCCNCCNC(=O)NNc1nc(C)cc(C)n1 841967731 GUHXBFOQVZRBLS-UHFFFAOYSA-N 282.348 -0.044 50 20 CBGD Cc1cnn(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1 843648793 ZGKQECLHRBQDOJ-ZJUUUORDSA-N 266.301 -0.236 50 20 CBGD CNS(=O)(=O)CC(=O)NN[C@@H](C)C(F)(F)F 862311367 NCOLHSGTVAESBO-BYPYZUCNSA-N 263.241 -0.893 50 20 CBGD CC[C@@H]1CC[C@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)O1 862457020 YQJLYULRFPLFDS-HRDYMLBCSA-N 269.301 -0.630 50 20 CBGD CCOC(C)(C)C(=O)NNC(=O)c1cnn(C)c1 865937119 WILHZOYIXHJNNU-UHFFFAOYSA-N 254.290 -0.004 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCCNC1=O 869068425 PZXXJZGDMAXODI-CIUDSAMLSA-N 269.301 -0.915 50 20 CBGD COCCOCC(=O)NNC(=O)c1c(O)cccc1F 869907404 KTRWQTHWTCDFCA-UHFFFAOYSA-N 286.259 -0.045 50 20 CBGD CN(C)CC1(C(=O)NNC(=O)C(=O)N2CCCC2)CC1 874257817 MUUSEXBHRDVOHL-UHFFFAOYSA-N 282.344 -0.902 50 20 CBGD O=C(CC1CCCC1)NNC(=O)[C@@H]1CSCC(=O)N1 893800833 CDYUPDOGGXBDSJ-VIFPVBQESA-N 285.369 -0.054 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)OC 906395821 WAJDNQILQURHRJ-SFYZADRCSA-N 257.290 -0.074 50 20 CBGD C=CC(=O)N(CC)CC(=O)NNC(=O)N1CCN(C)CC1 908056670 YGFRTERIALMIPV-UHFFFAOYSA-N 297.359 -0.991 50 20 CBGD CCN(CC)S(=O)(=O)CC(=O)NN(C)C[C@H](C)O 910166911 DYVDDTWGAKAGHC-VIFPVBQESA-N 281.378 -0.998 50 20 CBGD CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)COCCOC 913432987 CWAMSBQRNMHCDT-RKDXNWHRSA-N 262.306 -0.796 50 20 CBGD CC(=NNC(=O)C(=O)NC(C)C)c1cnn(C)c1 920828058 SSSUTHOFMJEOTG-UHFFFAOYSA-N 251.290 -0.215 50 20 CBGD O=C(NNC(=O)c1cscn1)C(=O)N1CCCC1 1318476728 OHYINFMZTNRHTF-UHFFFAOYSA-N 268.298 -0.474 50 20 CBGD CNC(=O)C1(C(=O)NNc2nncc(N)c2Cl)CC1 1319216370 UCJLACHUNFLPNN-UHFFFAOYSA-N 284.707 -0.319 50 20 CBGD C[C@H](CNC(=O)NNC(=O)c1ccc[nH]1)S(C)(=O)=O 1319685991 CQLRNBBMYNVDLC-SSDOTTSWSA-N 288.329 -0.608 50 20 CBGD O=C(NNC(=O)[C@H]1CCn2cncc2C1)NC1CC1 1320059294 UUQLHLJHASFHCL-QMMMGPOBSA-N 263.301 -0.062 50 20 CBGD Cn1ccnc(NNC(=O)[C@H]2C[C@@]23CCOC3)c1=O 1320532078 QOQQMUMKRJOWMY-PRHODGIISA-N 264.285 -0.350 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(C)[nH]1 1323722623 OQFIFKOTKCFOBM-VIFPVBQESA-N 299.352 -0.173 50 20 CBGD Cn1cnc(C(=O)NNc2nncc(N)c2Cl)n1 1324316457 OVPDJUGHRFYHND-UHFFFAOYSA-N 268.668 -0.402 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccn(C(C)C)n1 1326898112 CCXCMRYSAIHSLO-UHFFFAOYSA-N 297.315 -0.414 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCc2ccn(C)n2)cn1 1327815724 AVWCLPXUQLROIA-UHFFFAOYSA-N 276.300 -0.453 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@H](C)[C@H]1CCC(=O)N1 1328741733 WLNSLBMFDULXOE-HTQZYQBOSA-N 256.306 -0.360 50 20 CBGD COCCOCC(=O)NNC(=O)c1cn(C)nc1C1CC1 1330602815 IVJZFUIKHKWFEA-UHFFFAOYSA-N 296.327 -0.279 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2snnc2C2CC2)N1 1333253295 MUTQYPGUENHBQF-ZCFIWIBFSA-N 295.324 -0.545 50 20 CBGD C[C@]1(CNC(=O)Cn2nnc(N)n2)C[C@H]1Br 1337299642 MQYDMVODTVRULP-SVGQVSJJSA-N 289.137 -0.455 50 20 CBGD CCC[C@H](C(=O)NNC(=S)NC(C)C)S(N)(=O)=O 1347282093 LRNDPCQPSWSUSR-SSDOTTSWSA-N 296.418 -0.653 50 20 CBGD C=C[C@@H](O)C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1347297649 MCWOGSXAGUSTSM-SECBINFHSA-N 264.285 -0.404 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CC[C@@H]2C(N)=O)c(O)c1 1347929830 CABBBVJXBRZGHJ-IUCAKERBSA-N 291.307 -0.027 50 20 CBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNc1ncncc1Cl 1348300682 MSILLQLCFCKAPR-PSASIEDQSA-N 296.762 -0.039 50 20 CBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNc1ncncc1Cl 1348300691 MSILLQLCFCKAPR-WPRPVWTQSA-N 296.762 -0.039 50 20 CBGD O=C(Cc1cncs1)NNC(=O)[C@H]1CCC(=O)N1 1348386408 GKPZOFVEIVGUIM-SSDOTTSWSA-N 268.298 -0.888 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(N)=O)nc1 1349455942 NYIBFTHEPJTWJJ-IONNQARKSA-N 292.295 -0.634 50 20 CBGD NCCNC(=O)NNC(=O)Cc1ccccc1F 1574278029 CVEKQQNVOZODRT-UHFFFAOYSA-N 254.265 -0.343 50 20 CBGD COc1ccc(NNC(=O)C2(CN)CC(O)C2)nc1 1579230439 MDKPHMFXMMBFFC-UHFFFAOYSA-N 266.301 -0.367 50 20 CBGD O=C(NNC(=O)C1CC1)c1ccnc(N2CCNCC2)c1 1580733142 NAMIHRASRPTJCC-UHFFFAOYSA-N 289.339 -0.338 50 20 CBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)c1ccnnc1 1594755171 DIAFCWPKSVEGSR-SSDOTTSWSA-N 252.230 -0.652 50 20 CBGD CN(C)CCC(=O)NNC(=S)NCCCC(=O)O 1598214260 LXQWMQUVLORHNQ-UHFFFAOYSA-N 276.362 -0.702 50 20 CBGD COC(=O)C(=O)NN=Cc1cc(C(=O)O)n(C)c1 1606317647 XXZWVDJPVXKJAB-UHFFFAOYSA-N 253.214 -0.654 50 20 CBGD CCO[C@@H]1C[C@@H]1C(=O)NN=Cc1c(C(=O)O)cnn1C 1776102431 PLNRPZZQKQZFLE-OIBJUYFYSA-N 280.284 -0.007 50 20 CBGD COC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)Cc1cccnc1 285676135 QRCWZXWBMBURTP-GHMZBOCLSA-N 291.307 -0.029 50 20 CBGD CCOC(=O)NNC(=O)[C@@H](OC)c1cnn(C)c1 492306314 FWFUZPWTGVJMIP-QMMMGPOBSA-N 256.262 -0.115 50 20 CBGD O=C(NCC1(CO)CCC1)c1cccc(B(O)O)c1 584974718 JCHNFDHILLPNFX-UHFFFAOYSA-N 263.102 -0.741 50 20 CBGD CCN(C(=O)c1ccc(B(O)O)c(F)c1)[C@H]1CCN(C)C1 585007336 WXCCVHQOVAWBNN-NSHDSACASA-N 294.135 -0.328 50 20 CBGD O=C(NCCOC(F)F)c1cccc(B(O)O)c1 585007841 PEZNNQDVOLTERJ-UHFFFAOYSA-N 259.017 -0.665 50 20 CBGD CC(C)C[C@@H](O)CNCc1cccc(B(O)O)c1 585024896 GQLPXLYUKNPVER-CYBMUJFWSA-N 251.135 -0.137 50 20 CBGD O=S1(=O)CCC[C@H](CNCc2cccc(B(O)O)c2)C1 585040828 QKEBFCZHWPVYAR-GFCCVEGCSA-N 297.185 -0.719 50 20 CBGD O=C(NCB(O)O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 585059880 DTJMCTZRKFSNAE-ZJUUUORDSA-N 277.085 -0.311 50 20 CBGD CCc1cc(N2CC[C@@H](B(O)O)C2)n2ncnc2n1 585074286 VYDJIZIPCZOLCK-MRVPVSSYSA-N 261.094 -0.260 50 20 CBGD COC[C@@H](C)NC(=O)NNC(=O)CNC(=O)c1ccco1 726081570 DDZHXGGDAZYUFO-MRVPVSSYSA-N 298.299 -0.625 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H]2CNC[C@H]2C1 732198419 PZGLHEKMJDOPBX-SRVKXCTJSA-N 282.388 -0.280 50 20 CBGD O=C(NNC(=O)[C@H]1CCCN1c1ncccn1)NC1CC1 747367151 PDALCASKDJFDEF-SNVBAGLBSA-N 290.327 -0.062 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 764299976 QWRXDNHEYCDIBT-UHFFFAOYSA-N 296.239 -0.673 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)C(C)(C)O)CCC1 768255499 KUFCCAJWJHSYKF-UHFFFAOYSA-N 272.301 -0.362 50 20 CBGD COC[C@H](CNC(=O)NNC(=O)Cc1ccncc1)OC 781388609 YABKPEIBWNSNFA-NSHDSACASA-N 296.327 -0.384 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)c1cccc(C#N)c1 783957302 IUAYOONHXLFQLM-NSHDSACASA-N 286.291 -0.060 50 20 CBGD CS(=O)(=O)C1(CNC(=O)NNc2ncccn2)CC1 793268131 AGYMAPTVHNNXGS-UHFFFAOYSA-N 285.329 -0.320 50 20 CBGD CC(=O)OC(C)(C)C(=O)NNc1nccn(C)c1=O 806997983 NXHURMDWRCJTPI-UHFFFAOYSA-N 268.273 -0.435 50 20 CBGD COc1ccnc(NNC(=O)N[C@H]2COC[C@H]2OC)n1 838779846 SFKBZHBPDHWFBY-JGVFFNPUSA-N 283.288 -0.475 50 20 CBGD C[C@H]1CCCN(CC(=O)NNC(=O)C2CC2)[C@H]1CN 843351463 WALNQNOWLZAWOH-ONGXEEELSA-N 268.361 -0.397 50 20 CBGD COCCN(C)NC(=O)c1cc(C(=O)OC)no1 848378687 ZDIKFQOHMAZAII-UHFFFAOYSA-N 257.246 -0.316 50 20 CBGD O=S(=O)(CCl)N1CCN([C@@H]2CCOC2)CC1 849444991 OPYJBEWIGQUNAS-SECBINFHSA-N 268.766 -0.081 50 20 CBGD CO[C@@H](C)CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 852393697 HTHQTZLVBQBAFO-DJLDLDEBSA-N 259.306 -0.223 50 20 CBGD CCC[C@H](C(=O)NNC(=O)C1CC1)S(N)(=O)=O 854180661 PHJPFZXPLLEJFW-SSDOTTSWSA-N 263.319 -0.999 50 20 CBGD CCn1ccc(CC(=O)NNC(=O)c2cc[nH]n2)n1 855354651 GYLIYHVCYHLTLY-UHFFFAOYSA-N 262.273 -0.370 50 20 CBGD C[C@H](NNC(=O)[C@@H]1CN(C)CCO1)C(F)(F)F 862311935 XDIGSWGGZXBLRI-BQBZGAKWSA-N 255.240 -0.111 50 20 CBGD COc1nc(C)ccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862460174 DEGCZSWTMAYLME-SECBINFHSA-N 292.295 -0.562 50 20 CBGD CC(=O)OC1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 863877680 HJQMCCPEUVXKIZ-UHFFFAOYSA-N 291.112 -0.466 50 20 CBGD O=C(NCC1CC=CC1)NNC(=O)C(=O)NC1CC1 875798298 JBPHTEOBGPVHFV-UHFFFAOYSA-N 266.301 -0.438 50 20 CBGD NC(=O)[C@@]1(NS(=O)(=O)CCCCl)CCOC1 882335967 JZBMXESHSWKECQ-MRVPVSSYSA-N 270.738 -0.821 50 20 CBGD O=C(NNc1nccc(N2CCOCC2)n1)[C@H]1C[C@@H](O)C1 896994946 DCBFGLAFLAADIJ-AOOOYVTPSA-N 293.327 -0.473 50 20 CBGD Cn1cc(C(=O)NNC(=O)NC2CCCC2)n(C)c1=O 900412273 DTCXKBYDJIJZMF-UHFFFAOYSA-N 281.316 -0.390 50 20 CBGD CN1CCN(C(=O)NNC(=O)CC2COC2)CC1 908053470 OCMBCGGSJANRGR-UHFFFAOYSA-N 256.306 -0.989 50 20 CBGD COC(=O)c1cc(C(=O)NN(C)C[C@H](C)O)n(C)n1 910184078 QKYIWEAYKTUXGI-ZETCQYMHSA-N 270.289 -0.836 50 20 CBGD CC[C@@H](C(=O)NNC(=O)c1ccnnc1)N(C)C 911205249 JBZNZFVTVIRADE-VIFPVBQESA-N 251.290 -0.422 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H](C)c1ncn(C)n1 1116687156 STUFIGSVYDGXIE-ZETCQYMHSA-N 270.293 -0.757 50 20 CBGD C=CCCn1cc(C=NNC(=O)C(=O)NC2CC2)nn1 1118587101 VGQPRKOCBQQGQP-UHFFFAOYSA-N 276.300 -0.417 50 20 CBGD O=C(CC#Cc1ccccc1)NNC(=O)[C@@H]1CCC(=O)N1 1261999267 KZOPAYQTFJXJSV-LBPRGKRZSA-N 285.303 -0.146 50 20 CBGD C#CCOCCN(C)C(=O)c1cccc(B(O)O)c1 1264015994 JNRDYLGOQXDSHC-UHFFFAOYSA-N 261.086 -0.912 50 20 CBGD COCCCNC(=O)NNC(=O)c1nnn(C)c1C 1318682591 VQHVKPPOGDOUTR-UHFFFAOYSA-N 270.293 -0.896 50 20 CBGD O=C(Cn1[nH]cc2c(=O)ncnc1-2)NNc1cccnn1 1320059793 VSSQFGUJFYZEHR-UHFFFAOYSA-N 286.255 -0.996 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cnn(CC(C)C)c1 1320261653 QRIHMGAABOFUMN-UHFFFAOYSA-N 283.288 -0.135 50 20 CBGD CN(NC(=O)C1CCN(c2cnccn2)CC1)C(N)=O 1320526183 JKBYMPLIQHUHBZ-UHFFFAOYSA-N 278.316 -0.265 50 20 CBGD CC(C)n1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)n1 1322486745 QLTJCRSJKPSWFE-UHFFFAOYSA-N 296.331 -0.889 50 20 CBGD Cn1cc(C(=O)NNC(=O)C[C@@H]2CCOC2)cn1 1323085988 TZJSLQPBDURKIG-QMMMGPOBSA-N 252.274 -0.392 50 20 CBGD Cc1cc(C)nc(NNC(=O)COCc2nncn2C)n1 1324254474 UJEIUOMCERBNNT-UHFFFAOYSA-N 291.315 -0.118 50 20 CBGD Cc1ncc(Br)c(C(=O)NNC(=O)CO)n1 1326308635 VGFMECKGKSRERH-UHFFFAOYSA-N 289.089 -0.699 50 20 CBGD CN[C@H](C(=O)NNc1ncccn1)c1cnn(C)c1 1328462378 PJNWRKHDOSFTDG-VIFPVBQESA-N 261.289 -0.386 50 20 CBGD Cc1ncncc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1329539015 MBZDZYXRUQVTPI-DTWKUNHWSA-N 264.285 -0.029 50 20 CBGD O=C1CC[C@@H](C(=O)NN=Cc2cnc3cnccn23)N1 1330141878 FZDQUULEOBUWRB-VIFPVBQESA-N 272.268 -0.542 50 20 CBGD CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)CCO 1330901725 IZDOVQQTRSGJLD-VIFPVBQESA-N 262.331 -0.172 50 20 CBGD C[C@H](N)CCNC(=O)NNC(=O)c1cnn(C)c1 1331249687 FULPYHVHTOKZEI-ZETCQYMHSA-N 254.294 -0.899 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CCc1ccccn1 1331834185 OYNADMGESXFVCQ-UHFFFAOYSA-N 285.325 -0.794 50 20 CBGD CN(C)CCNC(=S)NNC(=O)c1cccnn1 1332034408 HJQKEMIYXXIKQZ-UHFFFAOYSA-N 268.346 -0.853 50 20 CBGD O=C(NCCN1CCNC1=O)NNc1ccccn1 1333731453 RUNDOXKSRKLZPT-UHFFFAOYSA-N 264.289 -0.267 50 20 CBGD O=C(COCc1ccccn1)NNC(=O)Cc1cc[nH]n1 1339037574 QLEDSMKEIYCGOJ-UHFFFAOYSA-N 289.295 -0.289 50 20 CBGD CCCNC(=O)[C@@H](C)NC(=O)NNC(=O)c1cnn(C)c1 1340418554 WJFJZVBBOWHMPT-MRVPVSSYSA-N 296.331 -0.721 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccc(-n2ccnc2)nn1 1342691946 NBUNSTXASBMIII-UHFFFAOYSA-N 289.299 -0.032 50 20 CBGD O=C(Cc1cncs1)NNC(=O)C(=O)N1CCCC1 1343291877 MBZHYSWGXYNCPV-UHFFFAOYSA-N 282.325 -0.545 50 20 CBGD CCN(CC)CC[C@H](C)NC(=O)NNC(=O)C(=O)OC 1520165628 OKTVAHSDACPTCZ-VIFPVBQESA-N 288.348 -0.390 50 20 CBGD O=C(NN=C[C@@H]1CCOC1)[C@H]1CN2CCC[C@H]2CO1 1549319105 SMAXDQZGHBMHBB-SDDRHHMPSA-N 267.329 -0.012 50 20 CBGD CN(N)C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 1573882912 TYPSBOAYPXYNPU-GFCCVEGCSA-N 262.269 -0.313 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc2c(n1)CNCC2 1578413706 UYJJDYMRMDYLRC-UHFFFAOYSA-N 277.328 -0.950 50 20 CBGD COC[C@]1(C(=O)NNC(=O)c2cccn2C)CCCCN1 1578976934 ONEKDEJSINBBBI-AWEZNQCLSA-N 294.355 -0.055 50 20 CBGD CO[C@@H](CN)C(=O)NNC(=O)c1c(C)nc2ccccn12 1579111124 LEWUZOMUWKBIOR-VIFPVBQESA-N 291.311 -0.623 50 20 CBGD O=C(NNC(=O)[C@@H]1NCC[C@@H]2CCCC[C@H]21)c1ncon1 1580736595 YZDMPIZSYMYZAI-IVZWLZJFSA-N 293.327 -0.001 50 20 CBGD O=C(Cc1cc[nH]n1)NNc1ccc(-c2nn[nH]n2)cn1 1582159204 LZXYEIJURCIIFY-UHFFFAOYSA-N 285.271 -0.329 50 20 CBGD C=CCNC(=S)NNC(=O)Cn1cc(C(=O)O)cn1 1588845347 IDSAORYEXUTKSD-UHFFFAOYSA-N 283.313 -0.737 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cc(O)cc(-c2nn[nH]n2)c1 1590000398 MYSAAAPAKSFNEZ-SSDOTTSWSA-N 292.299 -0.470 50 20 CBGD Cc1cc(N2CC[C@H](B(O)O)C2)c(-c2nn[nH]n2)cn1 1592000512 UGEAQLILNIHUER-QMMMGPOBSA-N 274.093 -0.377 50 20 CBGD CN(NC(=O)[C@@H]1CCCN(CC(=O)O)C1=O)C1CC1 1593766123 FZKHYSKHNZMJPF-VIFPVBQESA-N 269.301 -0.565 50 20 CBGD Cc1nnc(NNC(=O)[C@H](C(=O)O)C2CC2)nc1O 1594492419 CWNGQLQGLKQJOQ-ZCFIWIBFSA-N 267.245 -0.560 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CC[C@H](C(=O)O)C1 1603068112 FJLPUQUVQXPWPM-SFYZADRCSA-N 285.300 -0.841 50 20 CBGD COC(=O)C(=O)NN=C1CCN(CCCC(=O)O)CC1 1606316932 KJSNFEKHLGHGJP-UHFFFAOYSA-N 285.300 -0.408 50 20 CBGD COc1nccnc1NNC(=O)Cc1cnn(C)c1 131986063 NCBXBFMFKIRSNK-UHFFFAOYSA-N 262.273 -0.096 50 20 CBGD CCNC(=O)NNC(=O)c1cc2c([nH]c1=O)CCCC2=O 139212764 FUSMLUKTSKWQDV-UHFFFAOYSA-N 292.295 -0.142 50 20 CBGD O=C(Cc1cn2ccccc2n1)NNC(=O)c1c[nH]nn1 170901480 UMVVMYXCOAVATF-UHFFFAOYSA-N 285.267 -0.544 50 20 CBGD CCS(=O)(=O)NCc1ccc(C(=O)NNC(C)=O)cc1 266574375 LRQGSTKTFLEEPM-UHFFFAOYSA-N 299.352 -0.093 50 20 CBGD COc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1 274095342 VHVOVHAFABIDME-UHFFFAOYSA-N 294.311 -0.657 50 20 CBGD COC(=O)NNC(=O)CCn1cc([N+](=O)[O-])cn1 274327789 YZHRHFUQHWUORQ-UHFFFAOYSA-N 257.206 -0.431 50 20 CBGD CN1C[C@@H](NC(=O)NNC(=O)[C@H]2CCCCO2)CC1=O 296505385 QFSFULGGDCKPRN-DTWKUNHWSA-N 284.316 -0.883 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1C[C@]12CCOC2 364086858 POURNQZNSCFGQI-UFBFGSQYSA-N 264.285 0.355 50 20 CBGD O=C(CO)NNC(=O)[C@H]1COc2ccc(F)cc2C1 368270986 DEJNTGAFZLDDHB-MRVPVSSYSA-N 268.244 -0.484 50 20 CBGD CC(=O)N1CC[C@](C)(C(=O)NNC(=O)N2CCOCC2)C1 368540456 WDZBZYUJVDFFAY-ZDUSSCGKSA-N 298.343 -0.682 50 20 CBGD C[S@@](=O)CCCNC(=O)c1ccc(B(O)O)c(F)c1 584941217 GVTPKTRUCJNFAW-LJQANCHMSA-N 287.121 -0.996 50 20 CBGD CCC(=O)N1CC[C@H](NC(=O)c2cccc(B(O)O)c2)C1 584961096 YFXSSODGJRBHEX-LBPRGKRZSA-N 290.128 -0.893 50 20 CBGD CC[C@]1(CO)CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584973004 BTRBEFYSXKYXGG-HNNXBMFYSA-N 291.156 -0.009 50 20 CBGD C[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1CO 584979085 KQWZONPOVUGMKB-CABZTGNLSA-N 263.102 -0.791 50 20 CBGD C[S@@](=O)C1(CNC(=O)c2cc(B(O)O)ccc2F)CC1 584986781 MRSNXTZHDVZPGR-HXUWFJFHSA-N 299.132 -0.854 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@H](O)CC1 584994209 DQAKIEUDFJEVBV-GFCCVEGCSA-N 263.102 -0.647 50 20 CBGD CC[C@@H]1[C@@H](CO)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584995025 HJWTXUFKPWBHBS-ZWNOBZJWSA-N 295.119 -0.262 50 20 CBGD OB(O)c1cccc(CNC[C@@H]2CN3CCC[C@@H]3CO2)c1 585022553 QDFBHMGSZXWVEA-HUUCEWRRSA-N 290.172 -0.681 50 20 CBGD CN1CCC[C@@H](CNCc2ccc(B(O)O)cc2)C1 585023238 FLSOVSHVGMMIPX-ZDUSSCGKSA-N 262.162 -0.202 50 20 CBGD Cn1cc([C@@](C)(O)CNCc2ccccc2B(O)O)cn1 585024965 ILLFIYVETCDWIH-AWEZNQCLSA-N 289.144 -0.903 50 20 CBGD CO[C@@]1(CNCc2ccccc2B(O)O)CCOC1 585036354 ICOWMXJACPKEBK-CYBMUJFWSA-N 265.118 -0.739 50 20 CBGD O=S(=O)(NCB(O)O)c1cccc2c1OCCC2 585056904 DEJOCUHEOADTDB-UHFFFAOYSA-N 271.103 -0.698 50 20 CBGD COCCOCC(=O)NNC(=O)NC1CCCC1 733142304 ZPBLNIJDWQLSGJ-UHFFFAOYSA-N 259.306 -0.078 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccc(C(N)=O)cc2)cn1 735471055 KXWXCKIFIJJTSI-UHFFFAOYSA-N 287.279 -0.406 50 20 CBGD O=C(NN=Cc1cn(-c2ccccc2)nn1)C(=O)NC1CC1 755609852 FUWNVUYKSBRKDP-UHFFFAOYSA-N 298.306 -0.004 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNc1ncccc1[N+](=O)[O-] 759297405 NILPHSHDBRBUTM-LURJTMIESA-N 267.245 -0.043 50 20 CBGD COc1ccc(C)cc1NC(=O)C(=O)NNC(=O)CO 764421913 SIODTZJTSWOFBC-UHFFFAOYSA-N 281.268 -0.918 50 20 CBGD COc1ccc(NNC(=O)C(=O)NCC(=O)N(C)C)cc1 783023490 YVZLQYALEBJKDM-UHFFFAOYSA-N 294.311 -0.657 50 20 CBGD CC(C)NC(=O)C(=O)NN=C1CC(=O)N2CCCC[C@@H]12 799474500 GKGVDTOYDXCZQJ-JTQLQIEISA-N 280.328 -0.232 50 20 CBGD CN(C)CC(=O)NNC(=O)Cc1n[nH]c2ccccc12 806770825 BRAKFQVUAZAPLP-UHFFFAOYSA-N 275.312 -0.186 50 20 CBGD COCCOCC(=O)NNC(=O)COc1cc(C)on1 812164547 RTSKWUJPHUOWGG-UHFFFAOYSA-N 287.272 -0.828 50 20 CBGD CCCNC(=O)NNC(=O)c1ncc(OC)cn1 815121743 CBFPHPCTORAHFF-UHFFFAOYSA-N 253.262 -0.161 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 818414579 BEOFSXMARDUCNM-QXEWZRGKSA-N 295.339 -0.430 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H](c1cncn1C)N(C)C 823929443 YLVZQWWLUWUBHG-MWLCHTKSSA-N 269.349 -0.633 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccc(C(N)=O)cc1 823988850 XNQKLBJEULVPHO-QMMMGPOBSA-N 251.286 -0.257 50 20 CBGD CC(C)NC(=O)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 824304798 DWJIBELNSVMPIM-UHFFFAOYSA-N 278.276 -0.453 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1nccn(C)c1=O 831611326 SHGUCDNRGADHFL-YUMQZZPRSA-N 295.299 -0.642 50 20 CBGD C[C@H]1CN(S(=O)(=O)CCl)C[C@@H](C)N1CCO 832317271 AMOFFSWWECXFPU-DTORHVGOSA-N 270.782 -0.101 50 20 CBGD C[C@@H](N)[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 843354310 YBGFXESLRMPUCL-MWLCHTKSSA-N 268.361 -0.397 50 20 CBGD CO[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1cnn(C)c1 843653045 CZFXWLAZXFQLBR-IEBDPFPHSA-N 296.327 -0.320 50 20 CBGD Cc1c[nH]cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1=O 843978966 LFTDDLXSQSHEAH-DTWKUNHWSA-N 279.296 -0.131 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843979613 PLCFKGTTWPETOA-HTQZYQBOSA-N 257.290 -0.915 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@@H]1CN(C)CCO1)C1CC1 855101705 XVQCLMNPKCMDBN-WPRPVWTQSA-N 286.401 -0.389 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H]2C[C@H]2c2ccco2)N1 858545000 GQFHEHLTJYKMIK-HRDYMLBCSA-N 292.295 -0.256 50 20 CBGD O=C(CCCCN1CCOCC1)NNC(=O)c1cn[nH]c1 862470881 XBGBOLFGPGYXBT-UHFFFAOYSA-N 295.343 -0.327 50 20 CBGD CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862992712 HCFVFTALMZNZKX-IUCAKERBSA-N 282.344 -0.715 50 20 CBGD CC(C)[C@H](CN(C)C)NC(=O)c1cc(B(O)O)ccc1F 865800544 OEOCOJLICUBVLM-ZDUSSCGKSA-N 296.151 -0.179 50 20 CBGD Cc1nnc(N2CCN(S(=O)(=O)CCl)CC2)n1C 867461867 CQBIFDMTHIEREG-UHFFFAOYSA-N 293.780 -0.228 50 20 CBGD C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNC(=O)CN(C)C 878681533 UZMUTZFCAJAANT-QPUJVOFHSA-N 279.344 -0.215 50 20 CBGD Cn1nc(C(=O)NNC(=O)C(F)F)c2ccccc2c1=O 913573058 NARIAWYKOQAREI-UHFFFAOYSA-N 296.233 -0.040 50 20 CBGD Cn1cccc1C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920383630 GJJJDZIZNFXEOJ-SECBINFHSA-N 284.341 -0.155 50 20 CBGD CS(=O)(=O)NCCC(=O)NNC(=O)CC(F)(F)F 920458420 SWNXNXRYKBNZMZ-UHFFFAOYSA-N 291.251 -0.975 50 20 CBGD COCCN(C)NC(=O)Nc1nn(C)cc1C(=O)OC 934505741 YUXAYFOVSLGGJW-UHFFFAOYSA-N 285.304 -0.179 50 20 CBGD Cn1cnc(/C=C\C(=O)NNC(=O)C(C)(C)O)c1 935562350 HGLSUGHRXVCOGQ-PLNGDYQASA-N 252.274 -0.648 50 20 CBGD COC(=O)N(C)NC(=O)[C@H]1CCCN(C(N)=O)C1 1117157192 GXOBPSGHIRRUBL-ZETCQYMHSA-N 258.278 -0.494 50 20 CBGD C=CC[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)OCC 1118910103 KFZMYCHQFITFRO-LBPRGKRZSA-N 291.112 -0.396 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCN2CCC[C@H]2C1 1252437874 AXQLTBAJFZZHGK-IUCAKERBSA-N 284.316 -0.883 50 20 CBGD CO[C@H](C=NNC(=O)Cc1cc(O)nc(O)n1)C1CC1 1261652547 LYADRLFLXICIOY-SECBINFHSA-N 280.284 -0.043 50 20 CBGD Cc1c(CCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cnn1C 1261841789 CYCFCSBWBNURPS-JTQLQIEISA-N 293.327 -0.913 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCn2cncc2C1 1261910848 KXVZIEANQKRACH-VHSXEESVSA-N 252.318 -0.211 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H](C)n1cncn1 1319893514 WGSMNLBAMAJSNU-SSDOTTSWSA-N 256.335 -0.257 50 20 CBGD C=CCNC(=S)NNC(=O)CO[C@@H]1CCOC1 1321298373 ATOMPYHXBMJQNT-MRVPVSSYSA-N 259.331 -0.527 50 20 CBGD C=CCCOCC(=O)NNC(=O)C(=O)Nc1ccccn1 1322517165 TXIWFNWVJAFDKV-UHFFFAOYSA-N 292.295 -0.240 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cc(C(=O)OC)n(C)c1 1323926768 DGXVMRCKGUPMRA-UHFFFAOYSA-N 296.283 -0.692 50 20 CBGD C=CCNC(=S)NNC(=O)c1cnnn1CC 1324190966 GWWDSVGAWDJQDV-UHFFFAOYSA-N 254.319 -0.407 50 20 CBGD O=C(c1ccnc2ccnn12)N1CC[C@H](B(O)O)C1 1330262191 MCZKBUKDHASXLL-QMMMGPOBSA-N 260.062 -0.582 50 20 CBGD COc1cc(F)cc(NC(=O)C(=O)NNC(=O)CCO)c1 1342608455 UTYDDSKDTHEJQN-UHFFFAOYSA-N 299.258 -0.697 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(CO)c(F)c2)N1 1348390157 YZFFAWADBXHPJN-JTQLQIEISA-N 295.270 -0.642 50 20 CBGD O=C(NC[C@H]1CCOC1)NNC(=O)[C@@H]1CCCCO1 1348402785 AOJVMXYLBDIORW-ZJUUUORDSA-N 271.317 -0.078 50 20 CBGD CCc1noc(C)c1C(=O)NNC(=O)CS(C)(=O)=O 1351663506 YTHLTYHYUQGBMK-UHFFFAOYSA-N 289.313 -0.649 50 20 CBGD COCCN(C)NC(=O)Cc1ccc(C(=O)O)nc1 1599232178 MVWGIALWEFIHFO-UHFFFAOYSA-N 267.285 -0.068 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCC[C@@H](C(=O)O)C2)nn1 1600933210 XUTBNRSMCTXLGT-JGVFFNPUSA-N 295.299 -0.533 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CC[C@@H](C(=O)O)O2)n[nH]1 1607580663 URMYYYGFDLFKJX-SFYZADRCSA-N 282.256 -0.889 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 1610699376 WDDMIASCOVCKAQ-BWZBUEFSSA-N 283.284 -0.641 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)[C@@H]2CCCCO2)nn1 1776077643 NGLCMGFPGJKNFX-VIFPVBQESA-N 281.272 -0.618 50 20 CBGD CC(=O)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1842609496 JOROOILNNIJFMS-VIFPVBQESA-N 288.731 -0.622 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cc(C(=O)O)ccc1C 48962093 KHYWBCNOPDTWBI-UHFFFAOYSA-N 287.297 -0.184 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc2[nH]cnc2c1 113426803 UEQYFXCCIJQRSS-UHFFFAOYSA-N 261.285 -0.115 50 20 CBGD COc1ccnc(NNC(=O)NCCn2cncn2)n1 263833786 OGCCPLVKSONZKA-UHFFFAOYSA-N 278.276 -0.597 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cc(OC)cc(OC)c1 268941845 FVMWOAWAECEYCR-UHFFFAOYSA-N 289.313 -0.174 50 20 CBGD COCCOCC(=O)NNc1cc(Cl)nc(N)n1 273420497 XLUFLYJVJVBHQK-UHFFFAOYSA-N 275.696 -0.182 50 20 CBGD CC[C@@](C)(OC)C(=O)NNC(=O)c1cnn(C)c1 280703755 KPFFIHNPTXXIRK-LLVKDONJSA-N 254.290 -0.004 50 20 CBGD CC(C)(C)[C@@H](NC(N)=O)C(=O)NNC(=O)C1CC1 282640062 KKUFPDOHSXBRCF-ZETCQYMHSA-N 256.306 -0.373 50 20 CBGD COC(=O)N(C)NC(=O)c1ccc2c(c1)C(=O)NC2=O 495822232 FFDXJBILGZZWFV-UHFFFAOYSA-N 277.236 -0.087 50 20 CBGD O=C(NCC[C@@H]1CCCO1)c1ccc(B(O)O)c(F)c1 584927107 LZEAYDULGRIHEV-JTQLQIEISA-N 281.092 -0.196 50 20 CBGD CC[C@@](C)(CNC(=O)c1ccc(B(O)O)cc1)[C@H](C)O 584966120 WLMQUQQHQUHYKP-HZMBPMFUSA-N 279.145 -0.107 50 20 CBGD C[C@]1(CO)CCCN(C(=O)c2cccc(B(O)O)c2)C1 584966286 ZKMMBAUCUHQMOP-AWEZNQCLSA-N 277.129 -0.399 50 20 CBGD C[C@H](O)C[C@H](C)NC(=O)c1cccc(B(O)O)c1 584972791 HDKJDQOGWSIXIZ-IUCAKERBSA-N 251.091 -0.744 50 20 CBGD CC(C)(CF)NC(=O)c1ccc(B(O)O)c(F)c1 584977447 MWMMDUXUWKQFRY-UHFFFAOYSA-N 257.045 -0.017 50 20 CBGD CC(C)(O)C1CN(C(=O)c2cccc(B(O)O)c2)C1 584978903 FWBZYTUZVVFBCH-UHFFFAOYSA-N 263.102 -0.791 50 20 CBGD CO[C@H]1CC[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 584980423 ZLZGWIATURTHHI-UWVGGRQHSA-N 281.092 -0.197 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCCO[C@H](CF)C1 585002213 QBHQEDHIUQLGQG-SNVBAGLBSA-N 299.082 -0.294 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2CCOC[C@H]2C1 585004509 GMCPDQGVXDALDZ-NWDGAFQWSA-N 275.113 -0.525 50 20 CBGD C[C@H](CCO)N(C)C(=O)c1cccc(B(O)O)c1 585004774 MWSCTFGJHXGQIC-SECBINFHSA-N 251.091 -0.791 50 20 CBGD CCO[C@@H]1C[C@H](NCc2ccc(B(O)O)o2)[C@]12CCCO2 585034935 NOQLPSFVWNWQLT-OUCADQQQSA-N 295.144 -0.224 50 20 CBGD O=S1(=O)CCC[C@@H](CNCc2ccc(B(O)O)cc2)C1 585040440 KIIPOASYTSVOQF-LBPRGKRZSA-N 297.185 -0.719 50 20 CBGD C[C@@H]1NC(=O)CC[C@H]1NCc1ccc(B(O)O)cc1F 585042421 PYDKQBQNSCFWOT-QPUJVOFHSA-N 280.108 -0.738 50 20 CBGD C[C@H]1[C@@H](CNCc2ccc(B(O)O)cc2)N(C)CCN1C 585043294 LUCFJHUJVKOKSZ-SWLSCSKDSA-N 291.204 -0.910 50 20 CBGD OB(O)c1cccc(CNCC[C@]2(O)CCCOC2)c1 585046823 ZMDKTKQNVNLARZ-CQSZACIVSA-N 279.145 -0.612 50 20 CBGD N#Cc1cccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)c1 585058096 SSAOOTQRXDHAHM-SNVBAGLBSA-N 280.114 -0.204 50 20 CBGD O=C(c1cnn(-c2ccccc2)n1)N1CC[C@@H](B(O)O)C1 585075090 PSWJCVYRAHQFOM-SNVBAGLBSA-N 286.100 -0.044 50 20 CBGD CC[C@H](CO)NCC(=O)NNC(=O)c1cccs1 727058853 DSAVZDMADQQNGI-MRVPVSSYSA-N 271.342 -0.130 50 20 CBGD Cn1nccc1S(=O)(=O)NNC(=O)C1CCCC1 727353907 ATBGBXZZYXUVMR-UHFFFAOYSA-N 272.330 -0.080 50 20 CBGD CN1CCC[C@@H]1CNC(=O)NNC(=O)c1cnn(C)c1 735582861 SJLMWULSWLDVRH-SNVBAGLBSA-N 280.332 -0.542 50 20 CBGD CCC(C)(C)N[C@H](C)C(=O)NNC(=O)C(=O)NC1CC1 753982249 ZDOIIJBNXLWFRN-MRVPVSSYSA-N 284.360 -0.421 50 20 CBGD CC(=O)N1CCC[C@@H](C(=O)NNC(=O)C(C)(C)O)C1 768262053 RRJNOFQOSYYQJE-SECBINFHSA-N 271.317 -0.837 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H](NC(C)=O)C(C)C 770548865 KEJZQENZJAPCCT-VIFPVBQESA-N 258.322 -0.160 50 20 CBGD C[C@H]1C[C@@H](C(=O)NNC(=O)Cc2cc[nH]n2)CO1 784399168 XNSHSUBYNOJPOM-JGVFFNPUSA-N 252.274 -0.475 50 20 CBGD CCCS(=O)(=O)/C(C#N)=C\c1cn(C)c(=O)n(C)c1=O 786042864 LPMPBXUBMDBWDA-POHAHGRESA-N 297.336 -0.227 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@](F)(CO)C1 802013499 DIYPKTGUUNPJDG-GXFFZTMASA-N 289.351 -0.025 50 20 CBGD O=C(CCCn1cncn1)NNC(=O)N=c1cc[nH]cc1 802025195 VWZWSHXTXWRQNJ-UHFFFAOYSA-N 289.299 -0.272 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 807195952 OJLYSOBUURJHAA-JTQLQIEISA-N 281.243 -0.542 50 20 CBGD Cn1cc(C(=O)NNC(=O)C(C)(C)O)c(C2CC2)n1 813530086 LJGGDGRKYFDWNJ-UHFFFAOYSA-N 266.301 -0.171 50 20 CBGD Cc1nn(C)cc1C1=NO[C@H](C(=O)NN(C)[C@@H](C)CO)C1 823384308 HYVYUBDFPZWHCA-UFBFGSQYSA-N 295.343 -0.435 50 20 CBGD COCC(=O)NN=Cc1ccccc1-c1nn[nH]n1 826147876 OQOYUFCPRVFBAR-UHFFFAOYSA-N 260.257 -0.037 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H]([C@@H](C)N)C1 843353304 GDNIEJKIVDXTIX-OUAUKWLOSA-N 270.377 -0.009 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2ncncc2C1)c1ncccn1 843607270 XTFOGICHPABNIT-VIFPVBQESA-N 298.306 -0.167 50 20 CBGD O=C(CO)NNC(=O)c1cccc2c1OCCCO2 846636086 AYNMZXKXEWOLLZ-UHFFFAOYSA-N 266.253 -0.399 50 20 CBGD O=C(C[C@@H]1CC(=O)N1)NNC(=O)NC1CCCCC1 854192496 NDPMUFRBMSNFQU-VIFPVBQESA-N 268.317 -0.072 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=S)NCC1CCC1 855092147 RYOFRTNCFWPJPH-UHFFFAOYSA-N 279.387 -0.674 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@@H]1CCC(=O)NC1)C1CC1 855103374 UGDLLQMVYNICRS-IONNQARKSA-N 284.385 -0.194 50 20 CBGD CCC[C@@H](C)C(=O)NNC(=O)CS(C)(=O)=O 863463804 UXEWFTBIPHTKQI-SSDOTTSWSA-N 250.320 -0.385 50 20 CBGD C#CCSCC(=O)NNC(=O)COCCOC 913432929 APWOBDAFLFJPIK-UHFFFAOYSA-N 260.315 -0.837 50 20 CBGD COCCN(C)NC(=O)c1ccc(S(C)(=O)=O)nc1 935911437 GMNWKPAQWWXLNQ-UHFFFAOYSA-N 287.341 -0.292 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNc1nccn(C)c1=O 1116456884 AEZIOUPRUIDBAS-YUMQZZPRSA-N 252.274 -0.352 50 20 CBGD C[C@H](O)c1cn(CC(=O)NN=c2cc[nH]cc2)nn1 1116518010 TULSIMGQFZWCHU-QMMMGPOBSA-N 262.273 -0.708 50 20 CBGD CCS(=O)(=O)/C(C#N)=C\c1cn(C)c(=O)n(C)c1=O 1116719819 RYSIDQOGPUDFCT-UITAMQMPSA-N 283.309 -0.617 50 20 CBGD Cn1ccc(CCC(=O)NNC(=O)C(=O)N2CCCC2)n1 1117741256 QTRJKBCWTYDNKI-UHFFFAOYSA-N 293.327 -0.878 50 20 CBGD C=CC[C@@H](NCc1cccc(B(O)O)c1)C(=O)OCC 1118968593 UASCQYTYQNOCLA-CYBMUJFWSA-N 277.129 -0.036 50 20 CBGD NC(=O)Cn1cc(C(=O)NNc2ccccc2)nn1 1252237959 QYYGVTHVYIFSJF-UHFFFAOYSA-N 260.257 -0.480 50 20 CBGD C=CCn1cc(C(=O)NNC(=O)C2CCOCC2)nn1 1262030986 CWQMLRBYYPCYFU-UHFFFAOYSA-N 279.300 -0.348 50 20 CBGD NC(=O)C(=O)NN=Cc1ccc(OCC(=O)O)cc1 1317704146 RQFGILKWHQCSFQ-UHFFFAOYSA-N 265.225 -0.915 50 20 CBGD CCCCNC(=O)NNC(=O)C1CCS(=O)(=O)CC1 1318435620 SMKYPOBZKUWDOK-UHFFFAOYSA-N 291.373 -0.058 50 20 CBGD COc1nccnc1NNC(=O)C[C@@H]1COC(=O)C1 1320363602 ITQUQBJYTOJISW-ZETCQYMHSA-N 266.257 -0.119 50 20 CBGD Cc1nn(C)c(C=NNC(=O)C(N)=O)c1Br 1320988737 IVGQNROSRNFYJX-UHFFFAOYSA-N 288.105 -0.574 50 20 CBGD CN(C)c1noc(CNC(=O)NNC(=O)c2ccc[nH]2)n1 1327609058 HMSGHWHLVGUTON-UHFFFAOYSA-N 293.287 -0.392 50 20 CBGD CCNC(=O)NNC(=O)CCc1ocnc1C(=O)OC 1327862616 KRGILVFBDZRTOY-UHFFFAOYSA-N 284.272 -0.256 50 20 CBGD CC1=NO[C@H](C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1 1328421986 JSYQQWIJUKTPQF-HLTSFMKQSA-N 255.274 -0.276 50 20 CBGD COC(=O)C(=O)NN=C1CCCc2nc(N)ncc21 1330310488 JCCLYFMUFLEDNN-UHFFFAOYSA-N 263.257 -0.612 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNC(=S)N[C@H](C)C1CC1 1593911025 FYODGWDUZRGDRV-IYSWYEEDSA-N 275.330 -0.620 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CCOC[C@@H]1C(=O)O 1596864918 YLRGZFTZCKPIAK-JGAIRUGNSA-N 254.242 -0.258 50 20 CBGD CS(=O)(=O)c1ccc(C=NNC(=O)C(=O)O)cc1 1607379945 AVSXBYZYFCKECO-UHFFFAOYSA-N 270.266 -0.375 50 20 CBGD O=C(CN1CCC[C@@H](C(=O)O)C1=O)NNc1ccccn1 1608330046 LLLBJKDTNCITJT-SECBINFHSA-N 292.295 -0.152 50 20 CBGD COC(=O)[C@H](C)n1cccc1C=NNC(=O)C(=O)O 1610151736 DJALTKMWBMBGSE-ZETCQYMHSA-N 267.241 -0.243 50 20 CBGD Cc1c(C#N)cccc1NC(=O)C(=O)NNC(=O)C(=O)O 1610407347 VKVTWCNBIUFCTI-UHFFFAOYSA-N 290.235 -0.963 50 20 CBGD CN(C)CC(=O)NN=Cc1ccc(C(=O)O)nc1 1776042198 TXSMOGDORDQEMH-UHFFFAOYSA-N 250.258 -0.209 50 20 CBGD CCNC(=O)NNC(=O)c1sccc1-n1cnnn1 49164953 LVVMXOXIDWRGNP-UHFFFAOYSA-N 281.301 -0.312 50 20 CBGD CCc1nc(CC(=O)NNC(=O)CN(C)C)cs1 113426368 COPLSKCXSQRCCG-UHFFFAOYSA-N 270.358 -0.043 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc([N+](=O)[O-])cnc1O 265108038 YTFNZXGVGKOBPQ-UHFFFAOYSA-N 283.244 -0.982 50 20 CBGD O=C(CN1CSCC1=O)NNc1cnccn1 265134739 GTVIMUCFLFOZDE-UHFFFAOYSA-N 253.287 -0.547 50 20 CBGD O=C(CN(CCO)CCCO)NNC(=O)c1ccccc1 272204005 FOWWVHTUXQFLEV-UHFFFAOYSA-N 295.339 -0.876 50 20 CBGD CC(=O)NNC(=O)[C@H]1COCCN1CC(F)(F)F 367350072 RVPQYJUCBCZENX-SSDOTTSWSA-N 269.223 -0.583 50 20 CBGD CC(C)(O)CCC(=O)Nc1cccc(B(O)O)c1 584912402 FGPOFROXQUOUMF-UHFFFAOYSA-N 251.091 -0.144 50 20 CBGD CCC(CC)(NC(=O)c1ccc(B(O)O)cc1)C(N)=O 584938033 USNVPAFZLYWTNR-UHFFFAOYSA-N 278.117 -0.860 50 20 CBGD CCCN1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584942265 FIVNRMXXUBHBIJ-UHFFFAOYSA-N 294.135 -0.327 50 20 CBGD C[C@@H]([C@@H](C)NC(=O)c1cccc(B(O)O)c1)n1cccn1 584944130 AWDCQSYJKIRWGE-MNOVXSKESA-N 287.128 -0.058 50 20 CBGD CN1CCC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)C1 584945212 WTGLZVFOUHWTAZ-NSHDSACASA-N 276.145 -0.562 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1F)c1ncn(C)n1 585037469 YYCZROVTNMQHHF-QMMMGPOBSA-N 278.096 -0.515 50 20 CBGD OC[C@@H](CNCc1ccc(B(O)O)cc1F)C1CC1 585041729 UJKRTCULSASMAP-LLVKDONJSA-N 267.109 -0.386 50 20 CBGD O=C1CC[C@@H](c2nc(-c3cccc(B(O)O)c3)no2)CN1 585054425 VDZVIKRJALXKIZ-SECBINFHSA-N 287.084 -0.590 50 20 CBGD Cc1noc(C)c1S(=O)(=O)N1CC[C@H](B(O)O)C1 585057509 FYQJJVIBLPRLQH-QMMMGPOBSA-N 274.107 -0.471 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CSc1nc(N)n[nH]1 742447465 NMBGMXWNFAVHMZ-UHFFFAOYSA-N 272.334 -0.328 50 20 CBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CO 753445561 NQDPXUFLVPXOCC-ZETCQYMHSA-N 256.233 -0.267 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cscn1 767908603 VDTBYDSYTBFCQN-SSDOTTSWSA-N 290.370 -0.079 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1nccs1 770440881 UIDZYWSOBRIPJO-UHFFFAOYSA-N 251.271 -0.130 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NNC(=O)[C@H]1CCCCO1 772222271 LLGOSZYWZVNPCP-NWDGAFQWSA-N 299.371 -0.329 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NCCCSC#N 773586664 XBVBZAUOZWCTQC-ZETCQYMHSA-N 265.360 -0.355 50 20 CBGD NC(=O)c1ccc(NNC(=O)Cc2ccoc2)nn1 776169360 KBEYUBWCCJDBTR-UHFFFAOYSA-N 261.241 -0.146 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F 776634662 CHHVZRPERQFGHB-RXMQYKEDSA-N 282.222 -0.500 50 20 CBGD CS(=O)(=O)N1CC(CNC(=O)NNc2ccccn2)C1 777741962 BNRVTDYDYKWOJW-UHFFFAOYSA-N 299.356 -0.401 50 20 CBGD O=C(CO)NNC(=O)c1ccc(-c2ccco2)nc1O 777780989 BJJLPQLCOFTHQL-UHFFFAOYSA-N 277.236 -0.200 50 20 CBGD NC(=O)NCCC(=O)NNc1ncncc1Cl 781819277 BAZUAELGQVYSQG-UHFFFAOYSA-N 258.669 -0.369 50 20 CBGD CCNC(=O)CC(=O)NNc1nc2ccccn2n1 791248589 MMMBQRHEWRPBEH-UHFFFAOYSA-N 262.273 -0.301 50 20 CBGD C=CCNC(=S)NNC(=O)CCC(=O)NCC 798306552 LOVOSKHDQXYBEB-UHFFFAOYSA-N 258.347 -0.416 50 20 CBGD CCC(=O)NN=Cc1c(N(C)C)n(C)c(=O)n(C)c1=O 807946325 RMAXTLVVIZYGIO-UHFFFAOYSA-N 281.316 -0.990 50 20 CBGD CN(N=Cc1ccc(F)c(S(N)(=O)=O)c1)C(N)=O 807980370 RDHQQQLMQHENEH-UHFFFAOYSA-N 274.277 -0.183 50 20 CBGD Nc1nccnc1SCC(=O)NNC(=O)C1CC1 812251825 HBXJQHGATWPHII-UHFFFAOYSA-N 267.314 -0.292 50 20 CBGD CCN(CC(=O)NNC(=O)C1CC1)C[C@H](C)OC 812909011 PXWUHJHEYZCLHG-VIFPVBQESA-N 257.334 -0.099 50 20 CBGD CCOC(=O)C(C)(C)CC(=O)NNC(=O)C(C)(C)O 813529503 AYGKJNKQTKMNHS-UHFFFAOYSA-N 274.317 -0.116 50 20 CBGD CCn1nncc1C(=O)NNC(=O)c1c[nH]nc1C 815506154 NFTMSERKICLGLO-UHFFFAOYSA-N 263.261 -0.596 50 20 CBGD C[C@H](CC(=O)NNC(=O)C(=O)NC1CC1)n1cccn1 819029545 UMFZLWZWZOAJOZ-MRVPVSSYSA-N 279.300 -0.740 50 20 CBGD CN(NC(=O)C1=NN(CCO)C(=O)CC1)C1CC1 819650134 GCQWKKHXGSTJGU-UHFFFAOYSA-N 254.290 -0.918 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 823921876 DLQKDRSIVDZUPP-XHDPSFHLSA-N 291.351 -0.212 50 20 CBGD CC(C)(C)C(=O)NNC(=O)Cn1cc(C(=O)O)nn1 826135033 QTPBKPLPNBCUNW-UHFFFAOYSA-N 269.261 -0.830 50 20 CBGD O=C1CC[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)N1 826479648 DUSVJWPKTMYGJQ-VIFPVBQESA-N 287.283 -0.412 50 20 CBGD CO[C@@H]1COC[C@@H]1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 826963007 JAOLEWPYPKEEOL-QCLAVDOMSA-N 287.316 -0.844 50 20 CBGD CC(=O)NCCN(C)CC(=O)NNC(=O)c1cccs1 830135677 JMKCWPILJZFVHK-UHFFFAOYSA-N 298.368 -0.423 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cnnn1C 831773893 BXMIYVPHBKEXAO-BQBZGAKWSA-N 268.277 -0.607 50 20 CBGD C[C@@H]1[C@H](O)CCN1CC(=O)NNC(=O)c1ccccc1 832219987 MKLNHZJRWAKITB-ZYHUDNBSSA-N 277.324 -0.097 50 20 CBGD CN1CCN(C(=O)NN=C2CCn3ccnc32)CC1 834971854 BIEMDOKMKULCMR-UHFFFAOYSA-N 262.317 -0.052 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc([N+](=O)[O-])n[nH]1 843972898 WCAPHDFDCOCPDC-WDSKDSINSA-N 283.244 -0.496 50 20 CBGD COc1cccc(NNC(=O)Cn2nc(C)n(C)c2=O)n1 847692043 MCHNUNAWNREDEP-UHFFFAOYSA-N 292.299 -0.563 50 20 CBGD O=C(NN=C[C@@H]1CCOC1)[C@@H]1CN2CCC[C@@H]2CO1 853388748 SMAXDQZGHBMHBB-TUAOUCFPSA-N 267.329 -0.012 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=O)c1cccc(F)n1 856421557 BAVSVXPFUTWYSZ-ZCFIWIBFSA-N 268.248 -0.494 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H]2CCC[C@@]2(N)C1 857086901 ZIFNMPXZECKNHN-OPQQBVKSSA-N 268.361 -0.255 50 20 CBGD O=C1NCC[C@@H]1C(=O)NNc1nccnc1Cl 857127516 RKCZEEVCHVNJDR-YFKPBYRVSA-N 255.665 -0.291 50 20 CBGD O=C(CN1CCCCCC1=O)NNC(=O)c1cccnn1 858152366 NXJYPLVQQMMSTG-UHFFFAOYSA-N 291.311 -0.360 50 20 CBGD CO[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858346718 QTWGTMYSCFNTQB-LPEHRKFASA-N 298.343 -0.590 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)N[C@@H]1CCNC1 861705558 PMJUDRAXLXQGFP-RXMQYKEDSA-N 254.212 -0.369 50 20 CBGD CC(=O)N[C@@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)C(C)C 862094126 GJIMDALYXUDUCU-INTQDDNPSA-N 285.344 -0.281 50 20 CBGD C[C@@H](NNC(=O)[C@@H]1CCS(=O)(=O)N1)C(F)(F)F 862323168 QIMMSIQJTQSAJR-UHNVWZDZSA-N 275.252 -0.750 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccsc2)N1 862448650 FTTMSXHJNVJSTN-ZETCQYMHSA-N 253.283 -0.212 50 20 CBGD CN(CC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 862453654 LSNVTCJUVZUCNV-LLVKDONJSA-N 290.323 -0.451 50 20 CBGD Cc1ccoc1CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862463528 GZEKAASHNGDMIB-MRVPVSSYSA-N 265.269 -0.443 50 20 CBGD CCOC(=O)NNS(=O)(=O)c1cnc(C)n1C 863399245 BDAHOYGDFGLTTR-UHFFFAOYSA-N 262.291 -0.332 50 20 CBGD C[C@H]1CCN(S(=O)(=O)NNC(=O)c2cn[nH]c2)C1 863413991 PJCSLMAQSMNPGK-ZETCQYMHSA-N 273.318 -0.769 50 20 CBGD CCCc1[nH]ccc1C(=O)NNC(=O)CS(C)(=O)=O 863465647 HJVZFGWBJOKBRM-UHFFFAOYSA-N 287.341 -0.227 50 20 CBGD CN1C(=O)CS/C1=C/C(=O)NNC(=O)C1CCOCC1 899235309 CGDBDHKTBXKIJQ-IZZDOVSWSA-N 299.352 -0.393 50 20 CBGD O=C1CCCN1C1CN(S(=O)(=O)CBr)C1 907737854 IHSXUDIOTXFYBQ-UHFFFAOYSA-N 297.174 -0.025 50 20 CBGD CC(=O)Nc1cccnc1C(=O)NN(C)C[C@@H](C)O 910184817 WOMQKJNXEQLHTQ-MRVPVSSYSA-N 266.301 -0.003 50 20 CBGD CN1CCCC[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 913730632 CGSFGXHADXKDHI-SNVBAGLBSA-N 282.344 -0.760 50 20 CBGD CC(=NNC(=O)C(=O)NC1CC1)c1cn(C)nc1C 917541505 HWNOIZFWLXKMSR-UHFFFAOYSA-N 263.301 -0.153 50 20 CBGD CCNC(=O)CC(=O)NNC(=S)Nc1ccccn1 1119116878 WGWSZCGICXFHCK-UHFFFAOYSA-N 281.341 -0.075 50 20 CBGD CN1CCNC[C@@H]1C(=O)NNC(=O)c1ccccc1 1122037995 BRCFEWCWMHKHDC-LLVKDONJSA-N 262.313 -0.649 50 20 CBGD C[C@@H](NC(=O)NNc1cccnn1)c1nncn1C 1251973597 YQSFHXXUYKFGAG-SSDOTTSWSA-N 262.277 -0.008 50 20 CBGD Cc1ccnn1CC(=O)NNC(=O)C1CCOCC1 1262031478 SWZNZWBQGLHMDO-UHFFFAOYSA-N 266.301 -0.234 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CNC(C)(C)C 1318683502 IYTXMVGWKOHEIF-UHFFFAOYSA-N 253.306 -0.133 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CSCCS1 1319563836 IZRUQWJGQALMPJ-LURJTMIESA-N 293.370 -0.662 50 20 CBGD NC(=O)N1CCC[C@H](C(=O)NNc2ncc(F)cn2)C1 1320326148 LXZLAKKIFCDVEF-ZETCQYMHSA-N 282.279 -0.151 50 20 CBGD COCCCCCNC(=O)NNC(=O)C(=O)NC1CC1 1320793916 IYQHYVSUUBBXKC-UHFFFAOYSA-N 286.332 -0.588 50 20 CBGD COCCNC(=O)/C(C#N)=C/c1cn(CC(=O)O)nn1 1323050528 BUPBOGCCOXPOBK-XBXARRHUSA-N 279.256 -0.968 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)C[C@H]1CCCC(=O)N1 1323665058 RUQNJJWVQCKHDH-LLVKDONJSA-N 290.323 -0.170 50 20 CBGD CC(C)C(=O)NNC(=O)c1cn(CC2(C)COC2)nn1 1323859126 GSSIMQTYDFECCG-UHFFFAOYSA-N 281.316 -0.268 50 20 CBGD CCNC(=O)NNC(=O)c1cc(=O)c(OC)co1 1325127042 BKCOUFNCSIZPOU-UHFFFAOYSA-N 255.230 -0.388 50 20 CBGD O=C(NNc1ccncn1)[C@H]1CCCS(=O)(=O)C1 1328739733 JKCQCBWMQAJIOF-QMMMGPOBSA-N 270.314 -0.256 50 20 CBGD CC(=O)N1CC[C@@H](NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1 1329492220 SNHUUKMGDOHCKE-FBIMIBRVSA-N 298.343 -0.637 50 20 CBGD COc1cccc(C[C@@H](O)C(=O)NN(C)[C@H](C)CO)c1 1330878694 FXAOMASTGKSTFC-ZWNOBZJWSA-N 282.340 -0.058 50 20 CBGD CC[C@@H](C)C(=O)NNS(=O)(=O)c1cnnn1C 1331833650 LQFQOGJXSWQODI-ZCFIWIBFSA-N 261.307 -0.829 50 20 CBGD CN(C)C(=O)NNC(=O)Cn1cc(C2CC2)nn1 1332944698 JODQYOVSQQFFEJ-UHFFFAOYSA-N 252.278 -0.542 50 20 CBGD CC1=NO[C@@](C)(C(=O)NNC(=O)N2CCN(C)CC2)C1 1347070019 TWFPZPSITQWBEX-GFCCVEGCSA-N 283.332 -0.471 50 20 CBGD C[C@]1(C(=O)NNC(=O)CS(C)(=O)=O)CC1(F)F 1351665892 HWCOASHQHPLBJR-SSDOTTSWSA-N 270.257 -0.776 50 20 CBGD N[C@H](CO)C(=O)NNC(=O)c1ccc2ccccc2n1 1574263864 HEPZHLHKTKCXEZ-SECBINFHSA-N 274.280 -0.685 50 20 CBGD O=C(NNc1ncccc1[N+](=O)[O-])[C@@]12CNC[C@@H]1COC2 1580742992 LZIAMYPKRWOCGJ-PRHODGIISA-N 293.283 -0.331 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H](C(=O)O)C1CC1 1588465377 GUWLGJUUMPEGEX-SSDOTTSWSA-N 257.315 -0.222 50 20 CBGD CN(C(=O)c1ccc(B(O)O)cc1)C(C)(C)CC(=O)O 1598082296 UVBBWHVEOIUAEC-UHFFFAOYSA-N 279.101 -0.308 50 20 CBGD O=C(NNC(=O)c1cc[nH]n1)Nc1cccc(C(=O)O)n1 1601555615 LAAIOFQIQKTJJN-UHFFFAOYSA-N 290.239 -0.031 50 20 CBGD CCCN(CC(=O)O)C(=O)c1cccc(B(O)O)c1 1603661641 BBPVHERASBVURV-UHFFFAOYSA-N 265.074 -0.697 50 20 CBGD C[C@H](O)CN(C)NC(=O)Cc1cccc(-c2nn[nH]n2)c1 1603699568 OBMGMVBSNPSIMQ-VIFPVBQESA-N 290.327 -0.247 50 20 CBGD CCNS(=O)(=O)c1ccc(C(=O)NNC(C)=O)cc1 45824892 XCVWXYDFNCLGKD-UHFFFAOYSA-N 285.325 -0.234 50 20 CBGD NNC(=O)c1cnn(CC(=O)NC2CCCCC2)c1 121207044 GIUIAKPIPUUZPD-UHFFFAOYSA-N 265.317 -0.065 50 20 CBGD Cc1cc(O)cc(=O)n1CC(=O)NNc1ncccn1 176733962 XDWFXJFBTFLMQZ-UHFFFAOYSA-N 275.268 -0.204 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CSCC(N)=O)n1 279765611 GKHGHUPHVMELBQ-UHFFFAOYSA-N 282.325 -0.630 50 20 CBGD COC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)N1CCOCC1 285227844 QHUKYAMGHHFCHC-BDAKNGLRSA-N 285.300 -0.741 50 20 CBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@H]1CCCCO1 295654963 VKBZVAXATCRLCM-DJLDLDEBSA-N 270.285 -0.488 50 20 CBGD O=C(NNC(=O)[C@@H]1COCCN1)c1ccccc1F 367681574 LTAZYKDOUKTZES-JTQLQIEISA-N 267.260 -0.425 50 20 CBGD COC(=O)N(C)NC(=O)c1ccnc2c1nnn2C 495692471 HWGBPQZLXRBDPP-UHFFFAOYSA-N 264.245 -0.294 50 20 CBGD O=S1(=O)CCC(COc2ccc(B(O)O)cc2)CC1 584910187 NPECYLHINOZADR-UHFFFAOYSA-N 284.142 -0.430 50 20 CBGD CC(C)C[C@@](C)(NC(=O)c1cccc(B(O)O)c1)C(N)=O 584945835 MFRKOPUTAYGYKA-CQSZACIVSA-N 292.144 -0.614 50 20 CBGD CCCCN(C)CCNC(=O)c1cccc(B(O)O)c1 584946026 VXCNIINBEUNXGM-UHFFFAOYSA-N 278.161 -0.172 50 20 CBGD C[C@@]1(CO)CCCN1C(=O)c1ccc(B(O)O)c(F)c1 584976345 QTAPAEPOCHGFRI-ZDUSSCGKSA-N 281.092 -0.508 50 20 CBGD CN1CCN(C(=O)c2ccc(B(O)O)cc2)CC1(C)C 584985542 MZNBNBSOGNVEPA-UHFFFAOYSA-N 276.145 -0.467 50 20 CBGD Cc1noc(C(C)(C)NC(=O)c2cccc(B(O)O)c2)n1 584987333 LUQCQRINWUTVMA-UHFFFAOYSA-N 289.100 -0.277 50 20 CBGD O=C(N[C@H]1CC[C@@H](F)C1)c1ccc(B(O)O)cc1 584989614 HRQLYUQMBUIXIL-MNOVXSKESA-N 251.066 -0.013 50 20 CBGD CCN(CC)C(=O)CCNCc1ccc(B(O)O)cc1 585017227 QBZSPOYCECMIKA-UHFFFAOYSA-N 278.161 -0.286 50 20 CBGD CCO[C@@H](CCN(C)C)CNCc1ccc(B(O)O)o1 585034457 PGXJQKBJGVKFQH-NSHDSACASA-N 284.165 -0.594 50 20 CBGD Cn1ncc(C2CC2)c1CNCc1ccc(B(O)O)o1 585047584 RWZUJWCLMGXDIF-UHFFFAOYSA-N 275.117 -0.140 50 20 CBGD O=C(NCc1ccc(F)cc1)C(=O)N1CC[C@H](B(O)O)C1 585065940 KFSQKYJYSOWHLW-JTQLQIEISA-N 294.091 -0.483 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@@H]1C(=O)O)c1ccc2c(c1)OCO2 739453232 DKDOJAOBELNWEL-SFYZADRCSA-N 292.247 -0.103 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@@H]1C(=O)O)NC1CCCC1 739454288 QLEGSZDTHHSCGE-SFYZADRCSA-N 255.274 -0.020 50 20 CBGD O=C(CC1(O)CCCC1)NNC(=O)C(=O)N1CCCC1 746185537 KDINMRWGEKLRHH-UHFFFAOYSA-N 283.328 -0.549 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCn2nc(C)nc2C1 750056277 GPVUKFUUHRDQHG-MRVPVSSYSA-N 280.332 -0.652 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1C 751528039 MWCPYVGSXUCWCU-QMMMGPOBSA-N 256.306 -0.262 50 20 CBGD COCC(=NNC(=O)Cc1cc(O)nc(O)n1)C1CC1 754258506 KWXWSESYKJUZQV-UHFFFAOYSA-N 280.284 -0.041 50 20 CBGD NC(=O)c1cc(NC(=O)NNC(=O)CO)ccc1Cl 755798885 LAVFGYPIRHNMKJ-UHFFFAOYSA-N 286.675 -0.416 50 20 CBGD O=C(CO)NNC(=O)Nc1ccnn1Cc1ccccn1 757787052 PBFDRLJZAQIZOA-UHFFFAOYSA-N 290.283 -0.529 50 20 CBGD C[C@@H]1CC[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C1 758050923 DKDKMTQWXXONLK-HLTSFMKQSA-N 291.373 -0.492 50 20 CBGD CCC(C)(C)NC(=S)NNC(=O)C(=O)NC1CC1 774153339 RBBTXWXXCUMMAT-UHFFFAOYSA-N 272.374 -0.051 50 20 CBGD CCOC(=O)/C(C#N)=C/NCC1CN(S(C)(=O)=O)C1 777401739 DEZNAIAUCZYYBK-UXBLZVDNSA-N 287.341 -0.562 50 20 CBGD CN(NC(=O)c1cnn(-c2cccnc2)c1)C(N)=O 778417827 FYJZJJYRYQAHPG-UHFFFAOYSA-N 260.257 -0.077 50 20 CBGD CC(C)(C(=O)NN=c1cc[nH]cc1)S(C)(=O)=O 781021583 WCWLCCMKNLELEM-UHFFFAOYSA-N 257.315 -0.230 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1nccnc1C 783517315 XBXDISMIQAMJIW-SECBINFHSA-N 299.356 -0.437 50 20 CBGD CCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cn[nH]c1 789004304 RMTRUQVGNJRZLI-SSDOTTSWSA-N 287.345 -0.422 50 20 CBGD CS(=O)(=O)NC1CC(NC(=O)NNc2ccccn2)C1 801068072 PSCQXFICZNEVGZ-UHFFFAOYSA-N 299.356 -0.212 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H]1CCc2nncn2C1 814271971 SAZBAOTVQFAYDC-SECBINFHSA-N 280.332 -0.029 50 20 CBGD CCN(CCO)NC(=O)c1ccc(S(C)(=O)=O)o1 823860636 WNLCRNSVAPOZCI-UHFFFAOYSA-N 276.314 -0.358 50 20 CBGD CC1=C(C(=O)NN(C)[C@H](C)CO)[C@H](C)n2nnnc2N1C 823917525 JOTBTDZURHFBKB-APPZFPTMSA-N 295.347 -0.698 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2CC(=O)N2)n1 829482319 KGHLQIUSYUKRIC-LURJTMIESA-N 251.246 -0.875 50 20 CBGD Cc1c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cnn1C 843641732 HNQAOFGPVPJCKI-RKDXNWHRSA-N 266.301 -0.085 50 20 CBGD CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843646900 ROFRCUWOYRMIAL-AATLWQCWSA-N 256.302 -0.016 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843658442 VIJXPDMJNWSVDZ-HRDYMLBCSA-N 271.317 -0.527 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(O)CCCC1 843974660 CNFMCFSVKQCQPQ-RKDXNWHRSA-N 256.302 -0.136 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(O)CCSCC1 843980858 XNIYEGKFWMIFRI-BDAKNGLRSA-N 288.369 -0.183 50 20 CBGD COCCCNC(=O)NNC(=O)/C=C(\C)COC 845297935 FVRBZBPSOPHVQS-VQHVLOKHSA-N 259.306 -0.054 50 20 CBGD C[C@]1(C(=O)NNC(=O)CO)CC(c2ccccc2)=NO1 857170329 NXCCJDDOUOBUKF-CYBMUJFWSA-N 277.280 -0.291 50 20 CBGD C[C@H](NNC(=O)CN1CCOCC1=O)C(F)(F)F 862318286 QOQRVPPLPIEVBG-LURJTMIESA-N 269.223 -0.583 50 20 CBGD C[C@H](NNC(=O)[C@@H]1CCS(=O)(=O)N1)C(F)(F)F 862323169 QIMMSIQJTQSAJR-WHFBIAKZSA-N 275.252 -0.750 50 20 CBGD CC(C)n1cccc1C(=O)NNC(=O)CS(C)(=O)=O 863464638 RPRSDYKNRKPDGG-UHFFFAOYSA-N 287.341 -0.125 50 20 CBGD O=C(NO[C@@H]1CCCCO1)c1ccc(B(O)O)cc1 863871758 AMPGPVMHSKGNMF-LLVKDONJSA-N 265.074 -0.446 50 20 CBGD CC(=O)NNS(=O)(=O)c1c2c(nn1C)CCCC2 872331870 YYUZCKAAZNLOLC-UHFFFAOYSA-N 272.330 -0.372 50 20 CBGD CCNC(=O)N(C)NC(=O)CN1CCCCS1(=O)=O 879365323 BHCMJMNOTAKYDS-UHFFFAOYSA-N 292.361 -0.896 50 20 CBGD NC(=O)CN(C1CCOCC1)S(=O)(=O)CCCCl 882724203 FANZTHZABSIWEA-UHFFFAOYSA-N 298.792 -0.089 50 20 CBGD O=C(/C=C/C1CCOCC1)NNC(=O)CN1CCCC1=O 913731045 RMSLAWUYBAIDIC-ONEGZZNKSA-N 295.339 -0.261 50 20 CBGD C[C@@](O)(C(=O)NNC(=O)C1CCOCC1)C1CC1 923064665 WVTSOJPPGYGIPD-LBPRGKRZSA-N 256.302 -0.279 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCC[C@@H]1C1OCCO1 933900758 LTEFELDETTVSQA-SNVBAGLBSA-N 285.344 -0.373 50 20 CBGD CN(CCO)C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br 1118819187 DTNLHLLNVNXXJX-GMSGAONNSA-N 293.161 -0.273 50 20 CBGD O=S(=O)(CC[C@@H]1CCOC1)N1CC[C@@H](B(O)O)C1 1118975945 SGYAIFIYKJUGLC-VHSXEESVSA-N 277.151 -0.709 50 20 CBGD Cn1cc(C(=O)NNC(=O)N[C@@H]2CCC[C@H]2CCO)cn1 1255326939 FLDOSVVGDBEYSS-GXSJLCMTSA-N 295.343 -0.085 50 20 CBGD CCNC(=O)NNC(=O)c1cccc(C(N)=O)n1 1319986329 GLRPQYIEINMTOH-UHFFFAOYSA-N 251.246 -0.856 50 20 CBGD Cc1nn(C)c(C(=O)NNC(=O)C(C)(C)O)c1[N+](=O)[O-] 1320633992 ZKHRYABJRBTKLA-UHFFFAOYSA-N 285.260 -0.831 50 20 CBGD CC(=O)N1CC(C(=O)NNc2nncc(N)c2Cl)C1 1320988470 FYYCZCARRYRQKE-UHFFFAOYSA-N 284.707 -0.366 50 20 CBGD O=C(NN=c1cc[nH]cc1Cl)C(=O)NC1CC1 1321226332 AJGYRSAZBZCXDQ-UHFFFAOYSA-N 254.677 -0.121 50 20 CBGD Cc1nn[nH]c1C(=O)NNc1ccnc(N(C)C)n1 1321716263 CSXOMXLOCWPMML-UHFFFAOYSA-N 262.277 -0.274 50 20 CBGD O=C(NNc1ncncc1F)c1ccc2nnnn2c1 1325041052 CVRVNWBCZZSKDT-UHFFFAOYSA-N 274.219 -0.190 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccn(COC)n1 1327814038 KTVJXAOWUZCXBV-UHFFFAOYSA-N 285.304 -0.533 50 20 CBGD O=C(CCCN1C(=O)CNC1=O)NNC(=O)CC1CC1 1327913565 LPXDZOHZIAXYMQ-UHFFFAOYSA-N 282.300 -0.734 50 20 CBGD Nc1cnnc(NNC(=O)[C@@H]2CCCN2C=O)c1Cl 1328584770 RZEQWJQGCSYRJL-ZETCQYMHSA-N 284.707 -0.224 50 20 CBGD Cc1cc(C)nc(NNC(=O)c2cn(CCN)nn2)n1 1329926469 SWTFQDBMSKEYKO-UHFFFAOYSA-N 276.304 -0.599 50 20 CBGD Cc1c(CNC(=O)NNC(=O)c2cn[nH]c2)cnn1C 1334908779 ZAEKGPNGFVJKJD-UHFFFAOYSA-N 277.288 -0.404 50 20 CBGD Cc1nccn1CCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 1335418335 NLCJIQLLRSBBQA-SNVBAGLBSA-N 293.327 -0.602 50 20 CBGD CN(C)C(=O)NNC(=O)CC(=O)NCC(F)(F)F 1337430773 VSPUZEQGPDUUEZ-UHFFFAOYSA-N 270.211 -0.643 50 20 CBGD Cc1c(C(=O)NNC(=O)CN(C)C)ccc2cncn12 1342105085 FIOANPQFEJCOCW-UHFFFAOYSA-N 275.312 -0.035 50 20 CBGD COC(=O)c1ccc(S(=O)(=O)NNC(C)=O)cn1 1342930540 BLRANLJFAXNKIJ-UHFFFAOYSA-N 273.270 -0.802 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1nnc(C)o1 1350384910 FRGXHQSPRMRKSF-SSDOTTSWSA-N 269.305 -0.244 50 20 CBGD CCc1nocc1C=NNC(=O)[C@H]1CCC(=O)N1 1351652493 ZPWVRZJSAZHZBX-SECBINFHSA-N 250.258 -0.034 50 20 CBGD Cc1nn(CCCl)c(C)c1C(=O)NC[C@H](O)CN 1354296793 HXLUFDTYQRMITI-SECBINFHSA-N 274.752 -0.212 50 20 CBGD O=C(C[C@H]1CNCCS1(=O)=O)NNc1ccccc1 1521698461 ROECTANUIKZCBS-NSHDSACASA-N 283.353 -0.094 50 20 CBGD Cn1ncc(C(=O)NNc2ncccc2C(=O)O)c1N 1574467620 HIZIVHLKMLLFSS-UHFFFAOYSA-N 276.256 -0.148 50 20 CBGD Cc1cc(NNC(=O)[C@@H]2CCCCN2)nc(N)n1 1579637882 GIFQQFUEWNKFNP-QMMMGPOBSA-N 250.306 -0.048 50 20 CBGD Cc1cccc(C(=O)NNC(=O)c2cnc(CN)nc2)n1 1579750159 DMYPQOJAKLBZIU-UHFFFAOYSA-N 286.295 -0.286 50 20 CBGD CO[C@](C)(C(=O)O)C(=O)NNC(=O)c1cccn1C 1593926967 QZTMTRISQFYAEY-NSHDSACASA-N 269.257 -0.724 50 20 CBGD CC[C@H](C)[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)O 1597320210 SWSBVPYGEJGZQI-CPCISQLKSA-N 297.091 -0.265 50 20 CBGD Cc1nc(C(=O)NN(C)C[C@H](C)O)ccc1-c1nn[nH]n1 1606029829 ZUAMGMPZURLBEJ-ZETCQYMHSA-N 291.315 -0.472 50 20 CBGD CN(CCNC(=O)NNC(=O)C(=O)O)c1ccccc1 1606129914 VUYGQFYFAXHCAF-UHFFFAOYSA-N 280.284 -0.462 50 20 CBGD O=C(O)Cn1ccc(NC(=O)NNC(=O)[C@H]2CCCO2)n1 1606348781 MRUBANJQOUTFBT-SSDOTTSWSA-N 297.271 -0.701 50 20 CBGD C[C@H]1C[C@H](NC(=O)NNC(=O)C(=O)O)CN1C1CC1 1609843093 AHWCRKBZFXJVMR-BQBZGAKWSA-N 270.289 -0.973 50 20 CBGD O=C(CN1CCCCCC1=O)NNC(=O)NC1CC1 49151142 CIPBEIOZPSJCFS-UHFFFAOYSA-N 268.317 -0.118 50 20 CBGD O=C(Cn1cc(CO)nn1)NNC(=O)c1ccccc1 52222797 NEZMVNCIOASPJT-UHFFFAOYSA-N 275.268 -0.768 50 20 CBGD CCN(CC(=O)NNC(=O)C1CC1)Cc1cnn(C)c1 112979269 QGMDZCNYPVFOIT-UHFFFAOYSA-N 279.344 -0.201 50 20 CBGD CCNC(=O)NNC(=O)c1cccnc1N1CCOCC1 139220278 HFONEJAMJBUGQK-UHFFFAOYSA-N 293.327 -0.118 50 20 CBGD CC[C@@H](C(=O)NNC(=O)NCCCOC)N(C)C 165400910 BGNPSDOTKJSIQE-VIFPVBQESA-N 260.338 -0.307 50 20 CBGD CCOc1ccc(C(=O)NNC(=O)CN(C)C)cn1 170796942 HGPQEPBTCOEEOW-UHFFFAOYSA-N 266.301 -0.197 50 20 CBGD CN(C)CCCNC(=O)c1ccc(B(O)O)cc1 199436088 FDTGHGXMVOSRLM-UHFFFAOYSA-N 250.107 -0.952 50 20 CBGD O=C(COc1cccnc1)NNC(=O)NC1CC1 264639234 DEQQMCNRUSMQGG-UHFFFAOYSA-N 250.258 -0.047 50 20 CBGD COc1ccnc(NNC(=O)N[C@H]2CC(=O)N(C)C2)n1 267782824 YMRNBPHSROLHAS-ZETCQYMHSA-N 280.288 -0.658 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@@H]2COCCN2)n1 269194294 PRVZGLMCMFWXSZ-VIFPVBQESA-N 251.290 -0.475 50 20 CBGD COC(=O)NNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 274171231 BARRVECUSFNZLD-YFKPBYRVSA-N 283.206 -0.216 50 20 CBGD Cc1cc2ncc(C(=O)NNC(=O)C(C)(C)O)c(C)n2n1 278049982 WXJDIKKUKWUVDY-UHFFFAOYSA-N 291.311 -0.122 50 20 CBGD Cc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)cn1 278515585 BIGLMKHYVYSKGM-UHFFFAOYSA-N 277.328 -0.008 50 20 CBGD COC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)Cc1ccncc1 286149860 OTOXYDFHLNICND-MNOVXSKESA-N 291.307 -0.029 50 20 CBGD CC(=O)OC(C)(C)C(=O)NNC(=O)N1CCN(C)CC1 287809963 MXWOVUFUURNKES-UHFFFAOYSA-N 286.332 -0.684 50 20 CBGD CCOC(=O)NCCC(=O)NNC(=O)[C@H]1CCCCO1 295682705 YFLLMIGLZAXMFF-SECBINFHSA-N 287.316 -0.161 50 20 CBGD CCOC(=O)NNC(=O)c1ccnc2c1nnn2C 495716564 ISLSHZFMNVBDSO-UHFFFAOYSA-N 264.245 -0.246 50 20 CBGD COC(=O)NCCC(=O)NNc1nc2ccccn2n1 496814130 ZRDHINGXBBYEQN-UHFFFAOYSA-N 278.272 -0.082 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1CCc2nccn2C1 584911006 FKMRNTLMGDHEIE-JTQLQIEISA-N 285.112 -0.236 50 20 CBGD CN(CC1CCOCC1)C(=O)c1ccc(B(O)O)cc1 584970277 VQMXLTYOYLFQTN-UHFFFAOYSA-N 277.129 -0.135 50 20 CBGD C[C@H]1CC[S@@](=O)CCN1C(=O)c1cccc(B(O)O)c1 584982277 JRFXHKMWNMUHJG-WVDJIFEKSA-N 295.169 -0.651 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC[C@@H]1O 585006236 JUDZOCVCTLXTRQ-ICCXJUOJSA-N 277.129 -0.354 50 20 CBGD C[C@H](CCNC(=O)c1cccc(B(O)O)c1)N(C)C 585007582 XSPWBQDPWSNRPM-SNVBAGLBSA-N 264.134 -0.564 50 20 CBGD CN1CCC[C@H]1CCNC(=O)c1cc(B(O)O)ccc1F 585007853 POAHKIUXSGSLJL-NSHDSACASA-N 294.135 -0.280 50 20 CBGD CCN1CC[C@H](CNCc2ccc(B(O)O)cc2)C1 585017265 RNKHNFUKBYGIQO-CYBMUJFWSA-N 262.162 -0.202 50 20 CBGD C[C@@H]1OCC[C@@]1(O)CNCc1ccc(B(O)O)cc1F 585038470 GDEDRNNGCNDKIN-TVQRCGJNSA-N 283.108 -0.865 50 20 CBGD Cn1cncc1CNCc1ccc(B(O)O)cc1F 585040731 HQLZSCQTYXTNLQ-UHFFFAOYSA-N 263.081 -0.471 50 20 CBGD OB(O)c1ccccc1CNC[C@@H]1CCN1C1CC1 585049083 BETPTUVQGAODQY-ZDUSSCGKSA-N 260.146 -0.307 50 20 CBGD N#Cc1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)s1 585055670 CMKAYWWFZONVAS-ZETCQYMHSA-N 286.143 -0.143 50 20 CBGD C[C@@H](CC(=O)NCB(O)O)NC(=O)c1ccccc1 585057547 GYXJJGIDMLHQLW-VIFPVBQESA-N 264.090 -0.677 50 20 CBGD COCc1c(C(=O)NCB(O)O)cnn1-c1ccccc1 585063225 WQODTEMBRMOKDH-UHFFFAOYSA-N 289.100 -0.240 50 20 CBGD C[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)CCl 711776648 CHHDYUVTHHPIGP-RITPCOANSA-N 261.752 -0.465 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)C2(C(N)=O)CC2)cc1 731597638 HTJBMKHHWKCYGU-UHFFFAOYSA-N 291.307 -0.213 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@@H]1C(=O)O)[C@@H]1Cc2ccccc2O1 739453541 KLGJZFHIKFLFLC-YWVKMMECSA-N 290.275 -0.142 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCO[C@@H](COC)C1 741796343 YRRMZSPPHDJEBG-VHSXEESVSA-N 273.333 -0.721 50 20 CBGD O=C(Cn1ccc(O)nc1=O)NNC(=O)NC1CCCC1 744059410 DWKDVTPCIQATMM-UHFFFAOYSA-N 295.299 -0.778 50 20 CBGD Cn1ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)n1 756292556 CITIAXHGILEHNK-UHFFFAOYSA-N 263.261 -0.461 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2C[C@@]23CCOC3)cn1 763478398 CDLYKKSOELWAMK-BXKDBHETSA-N 264.285 -0.392 50 20 CBGD O=C(NNC(=O)[C@H]1CN2CCCN1CC2)C1CCC1 764214108 BDMFVRJTFKIIOI-LLVKDONJSA-N 266.345 -0.676 50 20 CBGD CC(=O)NNC(=O)Nc1cnn(CC(=O)NC2CC2)c1 765194290 JNCSAWFSNOQZFQ-UHFFFAOYSA-N 280.288 -0.666 50 20 CBGD CC(=O)N[C@H](C(=O)NNC(=O)C(C)(C)O)C(C)C 768245605 WQFMMWHRZOZCGI-QMMMGPOBSA-N 259.306 -0.935 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@]12CCC(=O)N1CCS2 768409045 CULVHCPRZHYUKU-LLVKDONJSA-N 286.357 -0.256 50 20 CBGD CSCCNC(=S)NNC(=O)Cn1cncn1 770248581 QKFUBUYNIKVNLH-UHFFFAOYSA-N 274.375 -0.864 50 20 CBGD CCO[C@@H]1C[C@H]1C(=O)O[C@H](C)C(=O)NNC(=O)CC 772026647 UXJKJTQLWMOGIR-IWSPIJDZSA-N 272.301 -0.100 50 20 CBGD Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H](CO)NC(N)=O 805386340 AYYVGVJJPCQTDR-SECBINFHSA-N 297.271 -0.624 50 20 CBGD O=C(CO)NNC(=O)CCOCC(F)(F)C(F)(F)F 807195655 JXDKKGJQJPEFKD-UHFFFAOYSA-N 294.176 -0.270 50 20 CBGD CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)CCl 820790434 JOEVMSLDJOOAPN-SSDOTTSWSA-N 254.739 -0.031 50 20 CBGD COCCOCCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843646814 KCGYOAZWYKENHO-VHSXEESVSA-N 274.317 -0.388 50 20 CBGD C=C(C)CONC(=O)NNC(=O)CNC(=O)c1ccco1 845595915 YXRPQLITZXLZNR-UHFFFAOYSA-N 296.283 -0.153 50 20 CBGD O=C(NNc1cnccn1)[C@H]1CCc2nnnn2CC1 845955844 TZRRSPRBEYJNIB-QMMMGPOBSA-N 274.288 -0.441 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@H](C)CC(N)=O 854285012 DSTRUXMEODBXCV-MRVPVSSYSA-N 290.389 -0.628 50 20 CBGD CNC(=S)N(C)NC(=O)Cn1c(C)cc(C)nc1=O 854922625 ODZXUQKDEDNUJE-UHFFFAOYSA-N 283.357 -0.673 50 20 CBGD C[C@H]1Cc2cc(C(=O)NNC(=O)CO)ccc2O1 857169583 ITWFCHVURJYQRM-ZETCQYMHSA-N 250.254 -0.237 50 20 CBGD CN(C)[C@@H](C(=O)NN=c1cc[nH]cc1)c1cncn1C 857482994 LOFRDJFJYVPYIA-GFCCVEGCSA-N 274.328 -0.017 50 20 CBGD COCc1ccccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862452056 SDDMVUGLDHGRBG-NSHDSACASA-N 291.307 -0.127 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)C2SCCS2)N1 862458134 YDELEVFBUYOURL-YFKPBYRVSA-N 275.355 -0.782 50 20 CBGD COC(=O)[C@@H]1CCC[C@@H]1NCc1cccc(B(O)O)c1 863892539 ZPJAOBGGKZGFJI-OLZOCXBDSA-N 277.129 -0.202 50 20 CBGD Cc1nc(CS(=O)(=O)N2CC[C@H](B(O)O)C2)cs1 864231244 LDAKZNHSIZEFJK-QMMMGPOBSA-N 290.175 -0.170 50 20 CBGD CCCNC(=O)NNC(=O)[C@H]1CCCCN(C)C1=O 874213857 HMMJGUVEMDOYFF-SECBINFHSA-N 270.333 -0.015 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)c1ccc(B(O)O)cc1 900001719 UGDVCKZCIXUMLC-UHFFFAOYSA-N 295.173 -0.726 50 20 CBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NN(C)C[C@@H](C)O)C2 910146555 JUAPCANHEIAFSN-KXNHARMFSA-N 297.355 -0.027 50 20 CBGD CC(=O)N[C@H](CC(C)C)C(=O)NN(C)C[C@@H](C)O 910182130 IEYBZVURGSFFLM-MWLCHTKSSA-N 259.350 -0.119 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CC2(C1)CS(=O)(=O)C2 910696440 FEVCAVRRMXCFJI-RUDMXATFSA-N 270.310 -0.313 50 20 CBGD CCN(CCO)NC(=O)c1ccnn1CCN(C)C 911444585 SIHGUAJVKQLWPL-UHFFFAOYSA-N 269.349 -0.596 50 20 CBGD COC(=O)N(C)NC(=O)c1ccnc2c(C(N)=O)cnn12 1117184713 GLAZFXGPOXAKMP-UHFFFAOYSA-N 292.255 -0.829 50 20 CBGD CCn1cc(CNC(=O)NNC(=O)C2CCC2)nn1 1118564029 PREKKBPOIVHREK-UHFFFAOYSA-N 266.305 -0.072 50 20 CBGD CN1C(=O)CC[C@H](NC(=O)NNC(=O)c2ccc[nH]2)C1=O 1261445044 OGOHUFNGISBTAD-QMMMGPOBSA-N 293.283 -0.894 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(=O)N1CCCC1 1261450830 JNHQHYUTJXIYLK-UWVGGRQHSA-N 298.343 -0.636 50 20 CBGD CC(C)NC(=S)NNC(=O)C[C@H]1CCC(=O)N1 1261661318 MUIXENXZAPQTAR-SSDOTTSWSA-N 258.347 -0.441 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CCC(=O)C[C@@H]1C 1261881119 XKGGKMANTUUSOT-GXSJLCMTSA-N 286.328 -0.198 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)NCc1ccco1 1262604692 AHXFYOKZUTXULQ-LLVKDONJSA-N 296.327 -0.169 50 20 CBGD COC(=O)NNC(=O)C1CCN(S(C)(=O)=O)CC1 1317774374 OEXBKWOLXUBPNF-UHFFFAOYSA-N 279.318 -0.955 50 20 CBGD CC(C)(C(=O)NNC(=O)NC1CC1)S(C)(=O)=O 1318498748 GEWDBAMPLQHMIP-UHFFFAOYSA-N 263.319 -0.698 50 20 CBGD CC(C)S(=O)(=O)CC(=O)NNC(=O)c1cnn(C)c1 1318557992 MKBPEBDRVUCPPL-UHFFFAOYSA-N 288.329 -0.996 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(C#N)CCOCC1 1320491612 QCYLTKGZSDDQRI-SECBINFHSA-N 297.311 -0.204 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(N(C)C)ccn1 1324356152 BVKCQUIBWUBDQJ-UHFFFAOYSA-N 293.327 -0.567 50 20 CBGD Cn1nnc2c1C[C@H](C(=O)NNc1ncncc1F)CC2 1325041337 FWBHWHLSFFWTMM-SSDOTTSWSA-N 291.290 -0.008 50 20 CBGD C[C@H](C[S@@](C)=O)NC(=O)NNC(=O)Cc1cccnc1 1325269600 UCVZSOLWZUHXFC-GSDQLPOLSA-N 298.368 -0.279 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@@H]1COC(=O)C1 1325725228 IJKISVVVKVSEQX-HTQZYQBOSA-N 286.284 -0.571 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)Cc1cn(C)nn1 1329911385 LMUFSUOZSJDRFL-WCBMZHEXSA-N 296.331 -0.587 50 20 CBGD CCNC(=O)NNC(=O)c1cnc(C2CC2)nc1N 1330232947 ACBDHEJYZUIWJQ-UHFFFAOYSA-N 264.289 -0.100 50 20 CBGD COc1ccc(NC(=O)C(=O)NNC(C)=O)cc1OC 1337961688 VHVQRPIVTWRPGA-UHFFFAOYSA-N 281.268 -0.190 50 20 CBGD CCc1cc(NC(=O)C(=O)NNC(=O)C2CC2)n(C)n1 1342590812 JLFFXHVZNYAEMM-UHFFFAOYSA-N 279.300 -0.522 50 20 CBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)C1CCCC1 1347328240 WPAVLYLDPWEMAJ-PWSUYJOCSA-N 280.372 -0.288 50 20 CBGD COCCCNC(=O)NNC(=O)CCc1ccon1 1347381004 QQHJQWMLHWSEIM-UHFFFAOYSA-N 270.289 -0.026 50 20 CBGD Cc1ccc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 1348087160 WJLRGKGRNSOOPY-SNVBAGLBSA-N 291.311 -0.501 50 20 CBGD CCO/C=C(\C#N)C(=O)N1C[C@H]2COC[C@@]2(C(=O)O)C1 1591764831 CLTJCQNDADHFEZ-JOAXCPLTSA-N 280.280 -0.010 50 20 CBGD C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)NNC(=O)C(=O)O 1594278812 WMPBPWQXLGWWTC-VGRMVHKJSA-N 255.274 -0.307 50 20 CBGD C[C@@H]1CCCN(C[C@@H](C)NC(=O)NNC(=O)C(=O)O)C1 1594384591 WFCCXURTEWYYOW-RKDXNWHRSA-N 286.332 -0.478 50 20 CBGD O=C(O)[C@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F 1602212139 HRJSCCFKJFAYBL-SNVBAGLBSA-N 281.048 -0.805 50 20 CBGD CCCCNC(=O)NNC(=O)CN1CSCC1=O 49128289 MASBAHDTCRIGKK-UHFFFAOYSA-N 274.346 -0.350 50 20 CBGD C=CCN(C)C(=O)NNC(=O)CNC(=O)c1ccco1 154339605 WYBFGEHLUWJNCB-UHFFFAOYSA-N 280.284 -0.132 50 20 CBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNC(=O)C1CC1 279687007 FLCGKFSUWHUIEV-AWEZNQCLSA-N 293.323 -0.535 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1cc2n(n1)CCO2 289345272 JYOBLHSYBJABRN-UHFFFAOYSA-N 275.268 -0.311 50 20 CBGD COC(=O)NNC(=O)[C@H](CNC(=O)OC(C)(C)C)OC 289632771 VZCBSNDCXWYPNS-ZETCQYMHSA-N 291.304 -0.087 50 20 CBGD O=C(NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)c1ccccn1 289750819 IVODXSMZXPVYQQ-JBLDHEPKSA-N 291.307 -0.106 50 20 CBGD CC[C@@H](CNC(=O)NNC(=O)C(=O)N1CCCC1)OC 291490516 OQEJUNMWVXVJQZ-VIFPVBQESA-N 286.332 -0.636 50 20 CBGD COC(=O)NNC(=O)Cn1c(=O)n(C)c2ccccc21 298103762 ZZXLGCFSJYZAKW-UHFFFAOYSA-N 278.268 -0.273 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNc1nccc(OC)n1 362442501 PPOZHKNSWCRSOC-SECBINFHSA-N 281.316 -0.351 50 20 CBGD O=C(N[C@H]1CCN2CCCC[C@@H]12)c1cccc(B(O)O)c1 584928206 BNBHGYASACDFRL-KBPBESRZSA-N 288.156 -0.277 50 20 CBGD CCC[C@H]1C(=O)NCCN1C(=O)c1cccc(B(O)O)c1 584969543 VXEGUZYDLHGTJA-LBPRGKRZSA-N 290.128 -0.893 50 20 CBGD Cn1nc(NC(=O)c2cccc(B(O)O)c2)cc1C1CC1 584991635 FCKYMXLRBUQNKZ-UHFFFAOYSA-N 285.112 0.230 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H]2[C@@H](CF)[C@@H]2C1 585001610 YWUXRVVRWZZERQ-OWUUHHOZSA-N 281.067 -0.207 50 20 CBGD OB(O)c1cccc(CNCCCn2ccnc2)c1 585014350 OORWNPIPYQGFLA-UHFFFAOYSA-N 259.118 -0.257 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1)[C@H](C)n1cncn1 585019522 CISUCWTZHIUVHE-QWRGUYRKSA-N 274.133 -0.303 50 20 CBGD C[C@H]1CCCCN1C(=O)[C@@H](C)NCc1ccc(B(O)O)o1 585019909 JNLMVPXZTMLWGO-WDEREUQCSA-N 294.160 -0.162 50 20 CBGD OB(O)c1ccc(CNCCCCn2ccnn2)o1 585035572 WGMLKDDPWOGVAW-UHFFFAOYSA-N 264.094 -0.879 50 20 CBGD Cn1ccnc1[C@@H]1OCC[C@H]1NCc1ccc(B(O)O)o1 585049436 GRTTVNQBIAFWCW-ZYHUDNBSSA-N 291.116 -0.687 50 20 CBGD O=S(=O)(C[C@H]1CCCCC1(F)F)NCB(O)O 585059615 UXNDAVPMZXMKOC-SSDOTTSWSA-N 271.094 -0.257 50 20 CBGD C[C@@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)N(C)C 750015714 NQJSLEDKRNEXBN-CABZTGNLSA-N 293.323 -0.076 50 20 CBGD CNC(=O)NNC(=O)c1ccc2nc(O)n(C)c2c1 751698061 LUCRIEXWBSCBDS-UHFFFAOYSA-N 263.257 -0.147 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=O)c1ccncc1 754977449 OVHWSZRNRWZYGN-LLVKDONJSA-N 253.258 -0.760 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc([N+](=O)[O-])cn1 755274535 AEVHJHSMNNNHJH-UHFFFAOYSA-N 290.239 -0.283 50 20 CBGD Cn1cc(-c2n[nH]cc2C(=O)NNC(=O)C(C)(C)O)cn1 768246810 ZTYNQAUNZDVLDU-UHFFFAOYSA-N 292.299 -0.658 50 20 CBGD CS(=O)(=O)NCCC(=O)NNc1nc2ccccc2[nH]1 768505895 YNYGBEVEVDZMOW-UHFFFAOYSA-N 297.340 -0.055 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)c2ccccc2O)C1=O 776107178 TUXCGQNYWLAUQW-VIFPVBQESA-N 277.280 -0.369 50 20 CBGD CN(NC(=O)CNC(=O)CC1CCCC1)C(N)=O 778412736 XGYOJUFVDUFTOH-UHFFFAOYSA-N 256.306 -0.275 50 20 CBGD CS(=O)(=O)CCCC(=O)NN=c1cc[nH]cc1 780756591 OIMZQOWVZNAJQQ-UHFFFAOYSA-N 257.315 -0.229 50 20 CBGD COC(=O)c1cc(C=NNC(=O)CN(C)C)cn1C 790162285 OPGSVNFONQAYKG-UHFFFAOYSA-N 266.301 -0.177 50 20 CBGD COC[C@H](CO)NC(=O)NNC(=O)C1CCCC1 793079545 NQNBMJWEXKLXKK-VIFPVBQESA-N 259.306 -0.486 50 20 CBGD NC(=O)NCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2 803395468 LTWSSPXOLLCTAZ-UHFFFAOYSA-N 295.255 -0.764 50 20 CBGD COC1(C(=O)NNC(=O)N2CCN(C)CC2)CCCC1 807383232 QLONDBCLAATVPM-UHFFFAOYSA-N 284.360 -0.066 50 20 CBGD C[C@H]1C[C@@H](C(=O)NNC(=O)N2CCN(C)CC2)CCO1 807383343 VQMQQOKLWGPLBW-QWRGUYRKSA-N 284.360 -0.210 50 20 CBGD CN1C(=O)CC[C@H](NC(=O)NNC(=O)CC(C)(C)C)C1=O 823905762 LEWFMNSFUXFBAA-QMMMGPOBSA-N 298.343 -0.100 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 823946326 HIGIOFRTNWGWMC-DTWKUNHWSA-N 295.405 -0.706 50 20 CBGD C[C@H](CO)N(C)NC(=O)CNC(=O)Cc1ccccc1 823988764 WLWGUMZMKHMQKD-LLVKDONJSA-N 279.340 -0.311 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 827269240 WNSCWAYXJASTHW-FIQHERPVSA-N 296.371 -0.212 50 20 CBGD CCN1CCN(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1=O 827283277 OXTYHAFDOPQVLT-VHSXEESVSA-N 298.343 -0.684 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCC[C@@H](N(C)C)C1 827654845 BVUPZORGUVSPAI-LLVKDONJSA-N 270.377 -0.184 50 20 CBGD CCCONC(=O)NNC(=O)CNC(=O)c1ccco1 828256789 ICZZEBQXMCECEU-UHFFFAOYSA-N 284.272 -0.319 50 20 CBGD CC[C@H]1C(=O)N(CC)CCN1CC(=O)NNC(=O)C(C)C 828992656 UVUPTUFUMVVVRM-NSHDSACASA-N 298.387 -0.268 50 20 CBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNc1cccnn1 832040035 XMTIHLIMKIYPND-ZETCQYMHSA-N 273.318 -0.753 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@H]2CCNC2=O)n1 834816488 VODKFYAPPCPTQH-QMMMGPOBSA-N 262.269 -0.713 50 20 CBGD CS(=O)(=O)c1ccccc1NNC(=O)CCN 843436472 AICOSKRZVLYCDO-UHFFFAOYSA-N 257.315 -0.118 50 20 CBGD CNc1nnc(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)s1 843970532 HOWQNPWTIRFALG-RNFRBKRXSA-N 299.356 -0.305 50 20 CBGD O=C(NNc1cccc(F)c1)[C@H]1CCS(=O)(=O)N1 845854794 KZGRAYJNCNYYSF-SECBINFHSA-N 273.289 -0.040 50 20 CBGD O=C(COc1ccc(F)cc1)NNC(=O)[C@H]1CCNC1=O 854218323 SXADGQDRANVKBP-JTQLQIEISA-N 295.270 -0.512 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CCCC12OCCO2 854921740 YZRFNXRORDVRGS-MRVPVSSYSA-N 273.358 -0.003 50 20 CBGD O=C(C[C@H]1CC(=O)N1)NNC(=O)c1cccc(F)n1 856428160 PPHLPRPEBDKKFL-ZCFIWIBFSA-N 266.232 -0.740 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(F)c1 862449374 NZSZUCKWMIBABJ-JTQLQIEISA-N 295.270 -0.126 50 20 CBGD COCC1(CC(=O)NNC(=O)c2cn[nH]c2)CC1 862469366 IMKWWCRHCKQIKV-UHFFFAOYSA-N 252.274 -0.013 50 20 CBGD Cc1csc(C(=O)NNC(=O)CCNC(N)=O)c1 862475592 PLQGWOAOIGQYHM-UHFFFAOYSA-N 270.314 -0.124 50 20 CBGD Cn1nnc2cc(C=NNC(=O)CS(C)(=O)=O)ccc21 863189408 LJZXYEHFEVXHKB-UHFFFAOYSA-N 295.324 -0.537 50 20 CBGD CCOC(=O)C[C@H](C)NC(=O)c1cc(B(O)O)ccc1F 863879957 JAIJDMFEIMSKBF-QMMMGPOBSA-N 297.091 -0.423 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCNC1=O)C1CCCC1 864845463 VQKBEJVFCIXCIZ-SECBINFHSA-N 253.302 -0.150 50 20 CBGD COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)CN(C)C 894133876 LUHMMMHAGUCKAI-VHSXEESVSA-N 285.344 -0.325 50 20 CBGD CN(C[C@H](O)CO)C(=O)[C@]1(C)C[C@@H]1Br 907193557 YWUQUNFLPLWPFF-ACLDMZEESA-N 266.135 -0.029 50 20 CBGD C[C@H](C(=O)NNC(=O)N1CCN(C)CC1)c1cnccn1 908055089 KQKNKDNMPFHXLD-JTQLQIEISA-N 292.343 -0.432 50 20 CBGD O=C(NNC(=O)[C@@]12CCC[C@@H]1C2)C(=O)N1CCCC1 931248074 PBNKVQOGPKMEHM-NOZJJQNGSA-N 265.313 -0.054 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(C)C2)cc1 1115837393 HRDJLNKWBPVTTJ-SNVBAGLBSA-N 291.307 -0.066 50 20 CBGD O=C(NNC(=S)NCC1CC1)c1ncccn1 1261578558 IDQLTLVYUZEXGC-UHFFFAOYSA-N 251.315 -0.005 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)c2cnn(C)c2)CCC1 1318668294 RKRKMYMYPLAKSO-UHFFFAOYSA-N 279.300 -0.903 50 20 CBGD O=C(COCC1CC1)NNC(=O)C(=O)Nc1ccccn1 1319268892 UOIAPWHETHLZSG-UHFFFAOYSA-N 292.295 -0.406 50 20 CBGD CCNC(=O)c1ccc(NC(=O)C(=O)NNC(C)=O)cc1 1320510205 KHXTUZOYBWVRER-UHFFFAOYSA-N 292.295 -0.458 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cnn(CC(F)F)c1 1325683209 FOJLTJBTTNOWKL-UHFFFAOYSA-N 283.260 -0.730 50 20 CBGD NNC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1326407936 HITVIYQWXIAIAF-SNVBAGLBSA-N 262.313 -0.008 50 20 CBGD O=C(NNC(=O)c1cccc(F)n1)N[C@@H](CO)CCF 1327587063 AEFFWJJAGCAIIX-SSDOTTSWSA-N 288.254 -0.115 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCN([C@@H]2CCOC2)CC1 1328428503 CULNKOBRFOYMAE-GFCCVEGCSA-N 298.387 -0.804 50 20 CBGD NC(=O)c1ccc(C(=O)N2CC[C@@H](B(O)O)C2)s1 1329214282 DSOYBNLHMJBTOR-ZCFIWIBFSA-N 268.103 -0.464 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cn1cc(C2CC2)nn1 1329540034 QSASENCHZCXXKR-WCBMZHEXSA-N 293.327 -0.272 50 20 CBGD Cc1coc(C(=O)NNC(=O)CS(C)(=O)=O)c1C 1331833014 GFVPASMYBAPCJI-UHFFFAOYSA-N 274.298 -0.298 50 20 CBGD COc1ccnc(NNC(=O)c2cc(CO)on2)n1 1335467347 VUDUZHNAHGIUOP-UHFFFAOYSA-N 265.229 -0.278 50 20 CBGD CC1(Cn2cc(C(=O)NNc3cccnn3)nn2)COC1 1337847366 USWSYAJHHTXAGN-UHFFFAOYSA-N 289.299 -0.139 50 20 CBGD O=C(NNC(=O)N1CC[C@@H]2OCC[C@@H]2C1)c1ncccn1 1345742258 OLFDGNGMHBWVIT-ZJUUUORDSA-N 291.311 -0.058 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)Cc2cc[nH]n2)C1 1349447131 NOJRJHAWSMFBHP-SSDOTTSWSA-N 250.258 -0.531 50 20 CBGD CC(C)(C)OC(=O)N1CC2CC1(C(=O)NNC(=O)CN)C2 1575171480 DGRGAYSFMQPYEB-UHFFFAOYSA-N 298.343 -0.508 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1c[nH]nc1[C@H]1CCNC1 1576036465 JUFDSJLGRNYNKU-BDAKNGLRSA-N 267.333 -0.556 50 20 CBGD CN(C)N(C(=O)[C@H]1C[C@H]1CN)[C@H]1CCS(=O)(=O)C1 1578420211 BKJDVVWLQKPQJH-GUBZILKMSA-N 275.374 -0.927 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@@H](C(=O)O)[C@H](C2CC2)C1 1590938338 CHKWOIFHSYOBNX-WDEREUQCSA-N 297.355 -0.168 50 20 CBGD C[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@H]1CC(=O)O 1599863326 CMRBUJGJWYKYHW-MWLCHTKSSA-N 291.112 -0.451 50 20 CBGD O=C(NC[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21)NNC(=O)C(=O)O 1601478605 IEWASFJANSWJDU-ABXGFROZSA-N 267.285 -0.307 50 20 CBGD O=C(NCC1CCN(C2CC2)CC1)NNC(=O)C(=O)O 1601485259 RUZBEBJWFXOLRM-UHFFFAOYSA-N 284.316 -0.724 50 20 CBGD CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)C(=O)N1CCCC1 1602970474 UGNNHWJHHPEELL-MRVPVSSYSA-N 285.300 -0.887 50 20 CBGD CC[C@H](C(=O)O)C(=O)NNC(=O)c1cnsn1 1604878473 OHXNPAKUXTYRSL-BYPYZUCNSA-N 258.259 -0.590 50 20 CBGD CC(C)Oc1cc(CNC(=O)NNC(=O)C(=O)O)ccn1 1609712508 JQISYQMFCXOOGV-UHFFFAOYSA-N 296.283 -0.216 50 20 CBGD CCOC(=O)NCCC(=O)NNC(=O)c1cccnc1 42348516 CXKBHDSVDVYTFG-UHFFFAOYSA-N 280.284 -0.021 50 20 CBGD O=C(CNC(=O)c1cccnc1)NNC(=O)C1CC=CC1 122345099 GXGOLEAWSYEZLK-UHFFFAOYSA-N 288.307 -0.075 50 20 CBGD CC[C@H](C(=O)NNC(=O)Cn1nc(C)cc1C)N(C)C 126322024 HLUBQMPKJRNFDY-LLVKDONJSA-N 281.360 -0.012 50 20 CBGD O=C(NNC(=O)C1CCCC1)C(=O)N1CCCC1 132297398 HBCZOGNVTMNZFB-UHFFFAOYSA-N 253.302 -0.054 50 20 CBGD COC(=O)NCCCC(=O)NNC(=O)NC(C)C 264574146 SOPRINZNZIWGTP-UHFFFAOYSA-N 260.294 -0.139 50 20 CBGD CS[C@@H](C)CNC(=O)NNC(=O)C(=O)N1CCCC1 269812240 HCPUYDPCBVPWMF-QMMMGPOBSA-N 288.373 -0.309 50 20 CBGD CC[C@@](C)(C#N)C(=O)NNC(=O)N1CCN(C)CC1 287982211 NLEKRIZXWWGZFB-LBPRGKRZSA-N 267.333 -0.086 50 20 CBGD CCC[C@H](OC)C(=O)NNC(=O)CNC(=O)c1ccco1 294707799 YMFYBSHPULKHOI-VIFPVBQESA-N 297.311 -0.028 50 20 CBGD COC(=O)N(C)NS(=O)(=O)c1ccc(C(N)=O)cc1 496253489 JZJKWHDEJNRZGH-UHFFFAOYSA-N 287.297 -0.323 50 20 CBGD CN(NC(=O)C1(S(N)(=O)=O)CC1)C(=O)OC(C)(C)C 497281983 YWVRJTHBPCPZKA-UHFFFAOYSA-N 293.345 -0.294 50 20 CBGD CC(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(B(O)O)c1 584910075 MJRZRHWVIWWOHO-CYBMUJFWSA-N 290.128 -0.294 50 20 CBGD Cc1cnn(CCCNC(=O)c2ccc(B(O)O)cc2)c1 584935990 BDCDHNRZVUJJSZ-UHFFFAOYSA-N 287.128 -0.309 50 20 CBGD CC[C@@H](NC(=O)c1cc(B(O)O)ccc1F)c1nc[nH]n1 584951004 OXGWUBPXWVLKJI-SNVBAGLBSA-N 292.079 -0.495 50 20 CBGD C[C@@H](O)CC(C)(C)CNC(=O)c1ccc(B(O)O)cc1 584953330 BEOGIDABAWTZNX-SNVBAGLBSA-N 279.145 -0.107 50 20 CBGD CCOC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584958333 WWZAFXHOLHSKKW-NSHDSACASA-N 277.129 -0.135 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H]([C@H]2CCOC2)C1 584965852 SFXWDQLNKDBFLN-OLZOCXBDSA-N 289.140 -0.135 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCOCC(F)(F)C1 584992180 IOZNBVYORAVCPJ-UHFFFAOYSA-N 285.055 -0.526 50 20 CBGD O=C(N[C@@H]1CCC[C@@H]1F)c1cccc(B(O)O)c1 584995679 XLRRIRCZHSFOPT-WDEREUQCSA-N 251.066 -0.013 50 20 CBGD OB(O)c1ccc(CNCc2nnc(C3CC3)s2)o1 585046912 XDCSBZUNQKUBCP-UHFFFAOYSA-N 279.130 -0.022 50 20 CBGD Cc1ccc(NC(=O)CSCC(=O)NCB(O)O)cc1 585058818 QWSHZRHGAAFZGF-UHFFFAOYSA-N 296.157 -0.205 50 20 CBGD OB(O)[C@@H]1CCN(c2cc(N3CCOCC3)ncn2)C1 585072879 GFFPYRIHPUUPMP-SNVBAGLBSA-N 278.121 -0.634 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(CC(N)=O)C(C)C 731848843 OXMQQDBSDMHHEJ-SNVBAGLBSA-N 286.376 -0.236 50 20 CBGD CC(C)CN(CC(N)=O)CC(=O)NNC(=O)C(C)(C)C 744386212 GQGHAJQJSRSZDD-UHFFFAOYSA-N 286.376 -0.377 50 20 CBGD CCC(CC)N1C[C@H](C(=O)NNC(=O)CO)CC1=O 753444802 QJEDIMVDIPAPLC-MRVPVSSYSA-N 271.317 -0.837 50 20 CBGD CCO/C=C(/C#N)C(=O)N(CCO)CCN1CCOCC1 757108276 XFUYHOMBNLWVIO-SEYXRHQNSA-N 297.355 -0.417 50 20 CBGD C#CCNC(=S)NNC(=O)[C@H](C)OCCOC 758240348 QEGKBQFMQUEAJN-QMMMGPOBSA-N 259.331 -0.834 50 20 CBGD C[C@@H]1CC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CN1C 761811303 IMRPXRABMPVTCO-RKDXNWHRSA-N 288.373 -0.447 50 20 CBGD Cc1ccccc1CC(=O)NNC(=O)CSCC(N)=O 763689705 QNLROWCPIPVCHK-UHFFFAOYSA-N 295.364 -0.097 50 20 CBGD CC(C)(C(N)=O)C(=O)NNc1cc(Cl)nc(N)n1 768202902 MNKPYNXOLKGVIX-UHFFFAOYSA-N 272.696 -0.333 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc(C(N)=O)s1 768261086 LEPQTOAKVVXEHP-UHFFFAOYSA-N 271.298 -0.621 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@](C)(O)C(C)C 771328580 WLLNFGCDNYWKSN-LLVKDONJSA-N 254.290 -0.114 50 20 CBGD NC(=O)NC1(C(=O)NNc2cc(Cl)nc(N)n2)CC1 773862723 KNKWFNAETJFEHM-UHFFFAOYSA-N 285.695 -0.644 50 20 CBGD C#C[C@H](NCC(=O)NNC(=O)C(C)(C)C)[C@@H]1CCCO1 775799060 MSTLTWWDHDVDMS-QWRGUYRKSA-N 281.356 -0.050 50 20 CBGD O=C(CCC(=O)N1CCOCC1)NN=c1cc[nH]cc1 780761302 PXOPGUJEFWPBSX-UHFFFAOYSA-N 278.312 -0.414 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)co1 781920646 QEJVXULXTXSNQX-SSDOTTSWSA-N 289.313 -0.713 50 20 CBGD CNC(=O)NN=Cc1cn(Cc2cccnc2)nn1 783830772 DNHPEJNINKGJMO-UHFFFAOYSA-N 259.273 -0.016 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 787250519 APTUEZXEIOHJMQ-RKDXNWHRSA-N 270.333 -0.029 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCO[C@]2(CCO[C@H]2C)C1 791586388 DEBURWOADUTBPO-COPLHBTASA-N 299.371 -0.188 50 20 CBGD C=CCNC(=S)NNC(=O)C[C@@H]1SC(=N)NC1=O 798305607 XFEZTISUHBOFJH-YFKPBYRVSA-N 287.370 -0.776 50 20 CBGD CCNC(=O)CCC(=O)NNC(=O)N=c1cc[nH]cc1 802033454 YBHRZPCIBFVALA-UHFFFAOYSA-N 279.300 -0.428 50 20 CBGD O=C(CC1CC1)NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 819118317 QQUJYZHVUHJVHQ-VIFPVBQESA-N 265.313 -0.055 50 20 CBGD CCN(CCO)NC(=O)Cc1cc(=O)n(CC(C)C)[nH]1 823376503 GKXNIFLRXDAWAR-UHFFFAOYSA-N 284.360 -0.280 50 20 CBGD COc1ncnc(OC)c1C(=O)NN(C)[C@H](C)CO 823959533 KOHCSJRLDUMRHN-SSDOTTSWSA-N 270.289 -0.549 50 20 CBGD COC(=O)CNC(=O)NN=Cc1ccc(-c2nn[nH]n2)o1 826138473 WFUVJFUXYMMNRZ-UHFFFAOYSA-N 293.243 -0.734 50 20 CBGD COC(=O)C[C@H](C)CC(=O)NNC(=O)C(C)(C)O 847856376 MJGUSMWESNRROO-SSDOTTSWSA-N 260.290 -0.506 50 20 CBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)N=c1cc[nH]cc1 848044689 NDAKTTIOSGXYEY-RKDXNWHRSA-N 277.284 -0.832 50 20 CBGD NC[C@H]1CCN(S(=O)(=O)CBr)C1 850582717 UMBKRIIIMVVJBQ-ZCFIWIBFSA-N 257.153 -0.051 50 20 CBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNc1ncncc1F 854609627 SLRQFDWPPQLHMJ-LURJTMIESA-N 291.308 -0.613 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=O)c1ccccc1O 856762970 ZJKUXRFAWICJSF-SNVBAGLBSA-N 268.269 -0.185 50 20 CBGD CN(CC(=O)NNc1ccncn1)c1ncnc2[nH]cnc12 857520741 LIUBEAKWJUXCEJ-UHFFFAOYSA-N 299.298 -0.278 50 20 CBGD CO[C@H]1CN(S(=O)(=O)CBr)CCO1 859123105 AYGFCCSSXVQCNA-ZCFIWIBFSA-N 274.136 -0.027 50 20 CBGD CC(C)c1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)nn1C 862454860 BYWWAYZEXUCSDV-QMMMGPOBSA-N 293.327 -0.417 50 20 CBGD CS(=O)(=O)CC(=O)NN=Cc1cccc2c1OCO2 863188574 YCTUMSRIOBSRST-UHFFFAOYSA-N 284.293 -0.090 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H](O)c1ccccc1 869907849 GDAYGEUQTDQTGX-LBPRGKRZSA-N 282.296 -0.470 50 20 CBGD O=C(CN1CCOC1=O)NNC(=O)NCC1CC1 874194511 VAEMXDORBWPZSY-UHFFFAOYSA-N 256.262 -0.821 50 20 CBGD CC(=O)NNC(=O)CNS(=O)(=O)c1ccccc1F 913173163 SGCWKNLGKOFFGX-UHFFFAOYSA-N 289.288 -0.729 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccccn2)CN1 916093122 HAGQLMYHDFYFQD-QMMMGPOBSA-N 262.269 -0.631 50 20 CBGD COc1cc(OC)cc(C(=O)NNC(=O)c2cnn[nH]2)c1 918277563 FPYPNVIJLHHJMR-UHFFFAOYSA-N 291.267 -0.103 50 20 CBGD CCCNC(=O)NNC(=O)CN1CSCC1=O 921042442 VFDYAUOPOGHQDX-UHFFFAOYSA-N 260.319 -0.740 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc2nccn2c1 1116020821 WPLKNZIXHFDFHZ-UHFFFAOYSA-N 289.295 -0.380 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)Cc2ccncc2)CC1 1319037245 WJRSHBMRRDXYHF-UHFFFAOYSA-N 276.296 -0.702 50 20 CBGD CC1(C(=O)NNC(=O)C(=O)Nc2ccccn2)COC1 1320277558 JCTWDYBHIGTXLW-UHFFFAOYSA-N 278.268 -0.796 50 20 CBGD CC(C)(O)CCC(=O)NNC(=O)C(=O)Nc1ccccn1 1320919000 HAEFBXHHEIOTQW-UHFFFAOYSA-N 294.311 -0.281 50 20 CBGD CNC(=O)NNC(=O)Cc1csc(-c2nc[nH]n2)n1 1321636767 PLTUHGNAQOBUOF-UHFFFAOYSA-N 281.301 -0.569 50 20 CBGD CCCNC(=O)NNC(=O)c1nc2ncc(C)cn2n1 1330234146 OGMHXWYQWBIQII-UHFFFAOYSA-N 277.288 -0.213 50 20 CBGD O=C(C[C@H]1CC(=O)N1)NNc1nc(-c2cccnc2)no1 1330355789 OWGNPXUQMDEBBR-MRVPVSSYSA-N 288.267 -0.147 50 20 CBGD CCOC(=O)NNC(=O)[C@H]1CC12CCS(=O)(=O)CC2 1338358032 DRDNLXYWRMSJOW-MRVPVSSYSA-N 290.341 -0.021 50 20 CBGD CCc1ccc(C(=O)NNC(=O)[C@H]2CNCCN2C)cc1 1578252454 BACBMHOYWFXYGK-CYBMUJFWSA-N 290.367 -0.086 50 20 CBGD NCc1nc(CC(=O)NNC(=O)c2ccc[nH]2)cs1 1580353092 YAPOUEAVOIXBNA-UHFFFAOYSA-N 279.325 -0.066 50 20 CBGD O=C1C[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)N1 1593381947 QGAWYHFOJLIQOZ-QMMMGPOBSA-N 273.256 -0.802 50 20 CBGD Cc1cc(CC(=O)NNC(=O)CCC(=O)O)n[nH]1 1605163718 CYEJNTWDCAKNMP-UHFFFAOYSA-N 254.246 -0.727 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCC(C)(C)CC(=O)O)cn1 1608098286 BUTMDNWOQKKKPH-UHFFFAOYSA-N 297.315 -0.135 50 20 CBGD O=C(O)CCC(=O)NNC(=O)Cc1ccncc1 1611416474 IJXMHUIBHZBKQX-UHFFFAOYSA-N 251.242 -0.364 50 20 CBGD O=C(NNC(=O)c1cccc(F)c1)C(=O)NC1CC1 9889645 BFPPIKXMLMJJHI-UHFFFAOYSA-N 265.244 -0.135 50 20 CBGD CS(=O)(=O)CCCNS(=O)(=O)CCCCl 38048487 RQBDSOKAXHJUKS-UHFFFAOYSA-N 277.795 -0.031 50 20 CBGD COC(=O)N1CCN(S(=O)(=O)CCl)CC1 82512951 KQAGHADYXNROJE-UHFFFAOYSA-N 256.711 -0.104 50 20 CBGD CC(=O)N[C@@H](C(=O)NNC(=O)NC(C)C)C(C)C 119565220 JXZQEHQVSRCULI-SECBINFHSA-N 258.322 -0.114 50 20 CBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CN(C)C 265066457 MZXNRYWSIFRTRS-QMMMGPOBSA-N 288.348 -0.391 50 20 CBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C(C)(C)O 276315167 VQSIBMIPUGDXGY-SSDOTTSWSA-N 289.332 -0.182 50 20 CBGD CN1C[C@H](NC(=O)NNC(=O)[C@H]2CCCCO2)CC1=O 296505390 QFSFULGGDCKPRN-RKDXNWHRSA-N 284.316 -0.883 50 20 CBGD CCOC(=O)NNS(=O)(=O)c1c(C)cnn1C 495747285 PEVLLAYXTOKDQZ-UHFFFAOYSA-N 262.291 -0.332 50 20 CBGD CN(C)CC(C)(C)CNC(=O)c1ccc(B(O)O)cc1 584925857 QPLAPULTVNHHJW-UHFFFAOYSA-N 278.161 -0.316 50 20 CBGD C[C@H]1CO[C@H](C)CN1C(=O)c1cccc(B(O)O)c1 584927244 DYNAWFVSIFFPGE-VHSXEESVSA-N 263.102 -0.384 50 20 CBGD N#CC1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584938294 YHDPTFLBDRSDBE-UHFFFAOYSA-N 258.086 -0.258 50 20 CBGD CN1CC[C@@H](CN(C)C(=O)c2ccc(B(O)O)c(F)c2)C1 584943895 XDFIPFHQNYAVJD-SNVBAGLBSA-N 294.135 -0.471 50 20 CBGD C[C@H](O)C[C@@H](C)CNC(=O)c1ccc(B(O)O)cc1 584948581 DIGKRMCOMBLYGK-ZJUUUORDSA-N 265.118 -0.497 50 20 CBGD C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cccc(B(O)O)c1 584950997 OQAYTSJOPUJCSV-FZMZJTMJSA-N 290.172 -0.221 50 20 CBGD O=C(N[C@H](CCO)C1CC1)c1cccc(B(O)O)c1 584963806 YIRWTFMGVFKOOV-GFCCVEGCSA-N 263.102 -0.743 50 20 CBGD CN(C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584976033 IODIKQPTNQWGPR-CHWSQXEVSA-N 294.135 -0.282 50 20 CBGD C[C@H](NC(=O)c1cc(B(O)O)ccc1F)c1ncnn1C 584980204 SYRQTRSMMUKBFF-ZETCQYMHSA-N 292.079 -0.875 50 20 CBGD CCC[C@H](CCO)CNCc1ccc(B(O)O)o1 585027061 NZUUKCSQSIOIJF-SNVBAGLBSA-N 255.123 -0.152 50 20 CBGD OC[C@H](CC(F)F)NCc1cccc(B(O)O)c1 585037981 OYWFWUBXPSORGQ-JTQLQIEISA-N 259.061 -0.528 50 20 CBGD C[C@@H]1NC(=O)CC[C@H]1CNCc1cccc(B(O)O)c1 585046842 WLUNXMAULZBRSP-JQWIXIFHSA-N 276.145 -0.629 50 20 CBGD CCCCN(CCCC)S(=O)(=O)NCB(O)O 585053836 DLAGBRKVPNIMQR-UHFFFAOYSA-N 266.172 -0.265 50 20 CBGD CC(C)(CC#N)CS(=O)(=O)N1CC[C@H](B(O)O)C1 585056151 KMTISFGTYLBKOR-VIFPVBQESA-N 274.151 -0.195 50 20 CBGD O=C(NCB(O)O)[C@H](c1ccccc1)N1CCSCC1 585060280 PCPKILLPLTXDJX-LBPRGKRZSA-N 294.185 -0.095 50 20 CBGD O=C(CCNC(=O)c1cc2ccccc2[nH]1)NCB(O)O 585065977 HEJCCNZGSZAZIN-UHFFFAOYSA-N 289.100 -0.584 50 20 CBGD CC(C)[C@@H](C(=O)N1CC[C@H](B(O)O)C1)N1CCCC1=O 585072878 SOSLNNGQNQWZAJ-JQWIXIFHSA-N 282.149 -0.291 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H]2CNC[C@@H]2C1 732198418 PZGLHEKMJDOPBX-SDDRHHMPSA-N 282.388 -0.280 50 20 CBGD CC[C@@H](COC)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 739049685 RTSSHPGACQFWKN-GXSJLCMTSA-N 293.389 -0.208 50 20 CBGD O=C(O)CSCC(=O)NNC(=O)Cc1cccnc1 740485298 JAEWXPZKSWEJIR-UHFFFAOYSA-N 283.309 -0.411 50 20 CBGD Cc1nnc(NNC(=O)CCNC(=O)CC(C)C)nc1O 743295222 IEFAEDSFSSMOJO-UHFFFAOYSA-N 296.331 -0.119 50 20 CBGD CCCN(CC)CCNC(=O)NNC(=O)C(=O)NC1CC1 746769626 FFTBXCPZQVBTAX-UHFFFAOYSA-N 299.375 -0.673 50 20 CBGD O=C(CCc1cccnc1)NNC(=O)CN1CCCC1=O 751617934 NISUYKVNBLDLIG-UHFFFAOYSA-N 290.323 -0.216 50 20 CBGD CC(C)(Oc1ccc(C#N)cc1)C(=O)NNC(=O)CO 753438133 BBPQATZMHCQGCB-UHFFFAOYSA-N 277.280 -0.145 50 20 CBGD CCCOCC(=O)NNc1ccc(C(N)=O)nn1 757405114 YQKHYTLAQZDAPN-UHFFFAOYSA-N 253.262 -0.555 50 20 CBGD C#CCNC(=S)NNC(=O)[C@@H](C)OCCOC 758240334 QEGKBQFMQUEAJN-MRVPVSSYSA-N 259.331 -0.834 50 20 CBGD COCCCNC(=O)NNC(=O)c1cc(OC)no1 764004615 IYRJUSJKTVXTJQ-UHFFFAOYSA-N 272.261 -0.336 50 20 CBGD Cc1c(/C=C(/C#N)C(=O)NC(CO)CO)cc(C#N)n1C 770432791 AWMHSIURKMCRAQ-JYOAFUTRSA-N 288.307 -0.418 50 20 CBGD C#CCCCCC(=O)NNC(=O)C(=O)NC1CC1 773207766 JVZFRSFVCXJDII-UHFFFAOYSA-N 251.286 -0.394 50 20 CBGD COCCCOCC(=O)NNC(=O)N1CCOCC1 775683815 TWRCLOWTMGNCKW-UHFFFAOYSA-N 275.305 -0.888 50 20 CBGD CC(C)[C@@H]1CN(CC(=O)NNC(=O)C2CC2)CCO1 778242425 KHAJQYPRHQWIRD-NSHDSACASA-N 269.345 -0.099 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CO[C@H](C)C1 784277854 SJUMKMLKPXJGHP-VGMNWLOBSA-N 272.301 -0.100 50 20 CBGD CC[C@@](C)(OC)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 794890208 MYONKZUPKATVIK-LDYMZIIASA-N 292.357 -0.616 50 20 CBGD Cc1nn(C)cc1S(=O)(=O)NNC(=O)C1CCC1 808091944 RLURASVTWIOIKU-UHFFFAOYSA-N 272.330 -0.162 50 20 CBGD CN1CCC(CC(=O)NNC(=O)C(=O)N2CCCC2)CC1 813428614 BJMZZIFACACTHS-UHFFFAOYSA-N 296.371 -0.512 50 20 CBGD CC(C)(C)C(=O)NNC(=O)N1CCO[C@H](C(=O)O)C1 817797080 AXKRFOKIBVKEGN-ZETCQYMHSA-N 273.289 -0.441 50 20 CBGD CN(C)C(=O)Cn1cc(C(=O)NN(C)C2CC2)nn1 819645826 FKFKRSFKJNMZHZ-UHFFFAOYSA-N 266.305 -0.895 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 823897436 BQMAIPDXFSBBKQ-SNVBAGLBSA-N 295.343 -0.882 50 20 CBGD CC[C@H](C(=O)NN(C)[C@@H](C)CO)N1CCCC1=O 823951670 MGLYDRPZPIZOMU-VHSXEESVSA-N 257.334 -0.269 50 20 CBGD CC[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)C(=O)NC 827258661 CGCXXRAPRLMUKL-VGMNWLOBSA-N 286.332 -0.734 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](C)[C@@](C)(CO)C1 852701357 BMGJMIOQOBXSPA-GBIKHYSHSA-N 271.361 -0.117 50 20 CBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)[C@H]1CCCCO1 854683269 NGSASXAEGJMWNR-NXEZZACHSA-N 269.301 -0.676 50 20 CBGD CCc1cccc(C(=O)NNC(=O)C(=O)NC(C)C)n1 857432886 MPJJLVXGMANSNE-UHFFFAOYSA-N 278.312 -0.070 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1ccc(O)c(F)c1 857433403 ZCXJRPDQJJXUFJ-UHFFFAOYSA-N 297.286 -0.254 50 20 CBGD C=CC[C@H](CC)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858422540 VHFJELPCKVSCOI-DTWKUNHWSA-N 268.317 -0.050 50 20 CBGD C[C@H](NNC(=O)CCNS(C)(=O)=O)C(F)(F)F 862307728 OOKRCIYQKHYAAP-YFKPBYRVSA-N 277.268 -0.503 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2[C@H]3CCC[C@H]32)N1 862456160 MXVLIGNJONGRRP-JIOCBJNQSA-N 251.286 -0.542 50 20 CBGD C[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)C(=O)OC(C)(C)C 862458849 FCYYZAVSDWUCFN-JGVFFNPUSA-N 299.327 -0.610 50 20 CBGD CN1C(=O)C(=NNC(=O)CS(C)(=O)=O)c2ccccc21 863188974 ULFJOPYKWIJLOD-UHFFFAOYSA-N 295.320 -0.472 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C[C@@H]1CC[C@H]2C[C@H]12 863465781 LCPLSARWTDDDAO-CIUDSAMLSA-N 274.342 -0.385 50 20 CBGD O=C(NNS(=O)(=O)C[C@H]1CCCO1)C1CCOCC1 882805646 OQUNSLLYHDHDKX-SNVBAGLBSA-N 292.357 -0.457 50 20 CBGD C[C@@H]1OCCN(C(=O)NNC(=O)c2cccnn2)[C@@H]1C 883851373 QVBBLXIOMRRBBN-BDAKNGLRSA-N 279.300 -0.060 50 20 CBGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@H]2C[C@@H](O)C2)C[C@@H](C)O1 895510919 JIYZKYIHTVDKSN-KKOKHZNYSA-N 299.371 -0.596 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)CN1CCOC1=O 899999301 HGFBQUPXPOBWGA-UHFFFAOYSA-N 274.346 -0.268 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H](CF)C1 916100955 OSEVLJXZEXDULE-SECBINFHSA-N 251.066 -0.202 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NNC(=S)NC1CC1 916117785 MZHPVWQOJGGENE-VIFPVBQESA-N 286.401 -0.388 50 20 CBGD CN1CC[C@@H]1CNC(=O)NNC(=O)c1cccc(F)n1 925434162 IASVTIDUFRVYPE-MRVPVSSYSA-N 281.291 -0.131 50 20 CBGD O=C(CC[C@@H]1NC(=O)NC1=O)NNc1ncncc1Cl 1116711545 RQUZZJHWRUWOBO-LURJTMIESA-N 298.690 -0.439 50 20 CBGD O=C(NNC(=O)[C@H]1CC12CCOCC2)C(=O)N1CCCC1 1252570270 ZGVLPGWSJWYVSC-SNVBAGLBSA-N 295.339 -0.427 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ncoc1[C@H]1CCCO1 1318516878 GBZLYJOVJNJFCJ-MRVPVSSYSA-N 282.300 -0.151 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cnc(C(=O)OC)cn1 1320435484 UKIKOJIJHULFPR-UHFFFAOYSA-N 281.272 -0.431 50 20 CBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cscc1C 1320901315 OONKMUJOXNNGTB-UHFFFAOYSA-N 285.281 -0.685 50 20 CBGD CC(C)NC(=O)NNC(=O)Cn1cc([C@@H](C)O)nn1 1322604691 QAXQDONNDVBWQP-SSDOTTSWSA-N 270.293 -0.930 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCCOCC1 1325991750 YLEADDJKPPSKHK-VHSXEESVSA-N 271.317 -0.126 50 20 CBGD Cc1cc(C(=O)NNC(=O)N2CCN(C)CC2)cc(O)n1 1328621595 MKJCDUZKQVSYAW-UHFFFAOYSA-N 293.327 -0.303 50 20 CBGD Cc1ncccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329171178 APQPFSCCLSZVNJ-VIFPVBQESA-N 262.269 -0.570 50 20 CBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNc2ncncc2F)O1 1329479734 CGUISJDVXZVKJO-NKWVEPMBSA-N 269.236 -0.908 50 20 CBGD C#CCN(CC1CC1)C(=O)c1ccc(B(O)O)cc1 1331794365 BBFALQRRGAVTNF-UHFFFAOYSA-N 257.098 -0.148 50 20 CBGD CCN(CCO)NC(=O)Cn1nc2n(c1=O)CCCCC2 1332364461 CZOSRUTTXRAABB-UHFFFAOYSA-N 297.359 -0.883 50 20 CBGD O=C(CCN1CCOCC1)NNC(=S)NCC1CC1 1350007330 WPCOATDYGUIOPL-UHFFFAOYSA-N 286.401 -0.386 50 20 CBGD Cn1cc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)cn1 1549317420 WICFXDKELMFQHG-NWDGAFQWSA-N 277.328 -0.267 50 20 CBGD O=C(NNc1nc[nH]n1)c1cncc(-c2cnn[nH]2)c1 1578016090 VIHILPLCFDKEIR-UHFFFAOYSA-N 271.244 -0.258 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H](CN)c1ccccc1 1579056255 NKYVMMHCNMSNHB-GFCCVEGCSA-N 295.339 -0.461 50 20 CBGD C[C@@H](N)CC(=O)NNC(=O)c1ccc2c(c1)OCCO2 1579401242 PJMJGXGQAVJCLJ-MRVPVSSYSA-N 279.296 -0.044 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnc(C(=O)O)c1 1594645217 QJZOGXUOGALNRT-APPZFPTMSA-N 293.279 -0.034 50 20 CBGD O=C(O)CCNC(=O)NNC(=O)c1cccc(F)n1 1595059161 FDMOCOIEGKYSCS-UHFFFAOYSA-N 270.220 -0.361 50 20 CBGD C[C@@](CCF)(NC(=O)c1ccc(B(O)O)cc1)C(=O)O 1604139508 MROVJZBIDCAQHS-LBPRGKRZSA-N 283.064 -0.701 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1 1609681264 WSSAYGLYBZTRJY-HTQZYQBOSA-N 272.301 -0.204 50 20 CBGD C#CC(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1845958135 WSCIZQOKJASUHE-VIFPVBQESA-N 270.716 -0.577 50 20 CBGD CN1C[C@H](C(=O)NNC(=O)c2ccc(C#N)cc2)CC1=O 61463915 DUFWURKZUAYGNF-LLVKDONJSA-N 286.291 -0.202 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(C(C)=O)CC1 109824535 HZPNNDSFCKGYFQ-SECBINFHSA-N 270.333 -0.904 50 20 CBGD CC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cc(C)n[nH]2)C1 151211669 HQELXWRVUJPKHV-SNVBAGLBSA-N 293.327 -0.262 50 20 CBGD COC(=O)c1cccc(CC(=O)NNC(=O)CN(C)C)c1 270514244 QEYKMZQHUBIZMY-UHFFFAOYSA-N 293.323 -0.275 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])o1 276165564 AOYNRHOMTPNUFV-UHFFFAOYSA-N 257.202 -0.280 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CN2CSCC2=O)n1 279896447 ZGJDNQYEGKZGTM-UHFFFAOYSA-N 294.336 -0.316 50 20 CBGD CC[C@@](C)(C#N)C(=O)NNC(=O)C(=O)N1CCCC1 285992415 NATKTCVBTINBCX-LBPRGKRZSA-N 266.301 -0.304 50 20 CBGD COC(=O)Cc1occ(C)c1C(=O)NN(C)C(N)=O 291195361 DIAFITREPWOBOZ-UHFFFAOYSA-N 269.257 -0.041 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ncn(C(C)(C)C)n1 292842016 JYCZGYMHGVNCOY-UHFFFAOYSA-N 269.305 -0.435 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)CC(=O)N1 296240412 OWJBZQDKSDINMB-SNVBAGLBSA-N 290.323 -0.732 50 20 CBGD O=C(CCCCc1cnn[nH]1)Nc1cccc(B(O)O)c1 584914184 RHRFWLAVYVQBBI-UHFFFAOYSA-N 288.116 -0.164 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCCC[C@@H]1CCO 584931305 PGIOWFAZCQDMRY-CYBMUJFWSA-N 277.129 -0.257 50 20 CBGD N#CC1(NC(=O)c2ccc(B(O)O)cc2)CCOCC1 584947237 JOLPUVXJNJLCGI-UHFFFAOYSA-N 274.085 -0.831 50 20 CBGD CNC(=O)CCCN(C)C(=O)c1ccc(B(O)O)c(F)c1 584965856 SHYIYNHOJXPKKJ-UHFFFAOYSA-N 296.107 -0.896 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCCC[C@H](CO)C1 584966271 WHLOQQUJSMVAKU-JTQLQIEISA-N 295.119 -0.260 50 20 CBGD C[C@@H]1COCCN(C(=O)c2ccc(B(O)O)cc2)C1 584966528 CLRIWLRWWLWLQB-JTQLQIEISA-N 263.102 -0.525 50 20 CBGD CC[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@H]1O 584968214 USQJSVJZDNFIIV-QPUJVOFHSA-N 281.092 -0.652 50 20 CBGD CN(CC1(O)CCC1)C(=O)c1ccc(B(O)O)cc1 584976911 VNANPNUYFIIHNW-UHFFFAOYSA-N 263.102 -0.647 50 20 CBGD O=C(NCCOC(F)F)c1ccc(B(O)O)c(F)c1 585008930 YTGFVKKQSQUWOH-UHFFFAOYSA-N 277.007 -0.526 50 20 CBGD O=C(NCCNCc1ccc(B(O)O)o1)c1ccco1 585015447 ZDKULDVNKZCPBM-UHFFFAOYSA-N 278.073 -0.928 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)cc1)C(=O)NC1CCCC1 585021234 HRACNZPSIGZNAQ-LLVKDONJSA-N 290.172 -0.097 50 20 CBGD CC[C@@H](NCc1ccc(B(O)O)o1)[C@H]1CCOC1 585026777 KBJGJHASZWJMGG-GXSJLCMTSA-N 253.107 -0.136 50 20 CBGD Cc1nnc([C@H](C)NCc2ccc(B(O)O)o2)s1 585034679 LJCMMNDYDIJHTO-LURJTMIESA-N 267.119 -0.030 50 20 CBGD O=C1[C@H](NCc2ccc(B(O)O)o2)C[C@H]2CCCCN12 585044417 IDRXJRZZGBOSQX-MWLCHTKSSA-N 278.117 -0.798 50 20 CBGD CCN(CC1CC1)S(=O)(=O)N1CC[C@H](B(O)O)C1 585058877 SEZXLXXPOPWYJQ-JTQLQIEISA-N 276.167 -0.488 50 20 CBGD O=C([C@H]1COc2ccc(O)cc2O1)N1CC[C@H](B(O)O)C1 585067760 UUTMRFVJSQNJHJ-QPUJVOFHSA-N 293.084 -0.393 50 20 CBGD O=S(=O)(CCCCl)N[C@@H]1CCOC[C@H]1O 706727901 XSZZAGOCUBYPBD-HTQZYQBOSA-N 257.739 -0.316 50 20 CBGD O=C(NCCCN1C(=O)CNC1=O)NNc1ccccn1 731046004 KOHIZZCHEDNNMF-UHFFFAOYSA-N 292.299 -0.350 50 20 CBGD CNC(=O)NNC(=O)c1c(OC)ncnc1OC 732061719 MBQRQGXDZMNFMX-UHFFFAOYSA-N 255.234 -0.932 50 20 CBGD CCC(=O)N1CCC[C@H](C(=O)NNC(=O)CN(C)C)C1 733359960 ZKEUQLXSAQPCRL-JTQLQIEISA-N 284.360 -0.656 50 20 CBGD CSCC[C@H](C)NC(=O)NNC(=O)C(=O)NC1CC1 737064058 USLOTTOUEFJIAB-ZETCQYMHSA-N 288.373 -0.263 50 20 CBGD N=C1NC(=O)[C@@H](CC(=O)NNc2ncccn2)S1 742520590 AVXUCKQWAOCXMM-RXMQYKEDSA-N 266.286 -0.524 50 20 CBGD CCC(=O)N1CCC[C@@H](C(=O)NNC(=O)N(C)C)C1 746001949 ZHPBLVRIMQESEC-SECBINFHSA-N 270.333 -0.063 50 20 CBGD C[C@@H](C(=O)NNC(=O)C1CC1)N1CCSCC1 750828450 WYLXNPONTDLNID-QMMMGPOBSA-N 257.359 -0.019 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)nc1 753289949 IXAFCERWRJFKKT-UHFFFAOYSA-N 276.296 -0.227 50 20 CBGD O=C(CO)NNC(=O)c1ccc2c(c1)OCCCO2 753443926 FRXRJBQXFMHOJZ-UHFFFAOYSA-N 266.253 -0.399 50 20 CBGD CC(C)(C(=O)NNC(=O)CO)c1ccc2c(c1)OCCO2 753444967 SLMRWQAQFYUKDE-UHFFFAOYSA-N 294.307 -0.125 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H](CC(=O)OC)C1CC1 754519732 HRBVRHLMLXHFNH-WCBMZHEXSA-N 285.344 -0.136 50 20 CBGD O=C(NNC(=O)c1cnco1)c1ccc(-n2cnnn2)cc1 758095009 IFMSHKWEOPXKCS-UHFFFAOYSA-N 299.250 -0.275 50 20 CBGD CNc1nnc(CC(=O)NNC(=O)c2ccccn2)s1 758792602 TUXBBYYIFRQYRZ-UHFFFAOYSA-N 292.324 -0.022 50 20 CBGD COCC(=O)NNC(=O)C(=O)N1CCc2ccc(C)cc21 764299239 AQQCXYGNXKPIET-UHFFFAOYSA-N 291.307 -0.322 50 20 CBGD Cc1ccccc1NC(=O)C(=O)NNC(=O)CO 764421270 IQPHYSCYRUYFAQ-UHFFFAOYSA-N 251.242 -0.927 50 20 CBGD Cc1cc(N(C)C)ccc1NC(=O)C(=O)NNC(=O)CO 764421299 LCURLESMBKBASI-UHFFFAOYSA-N 294.311 -0.861 50 20 CBGD CSc1cccc(NC(=O)C(=O)NNC(=O)CO)c1C 764429807 ZZRHVFMRTVAMMP-UHFFFAOYSA-N 297.336 -0.205 50 20 CBGD CC(C)C(=O)NNC(=O)NCCS(=O)(=O)CC1CC1 765964563 MAGODVIVOLRTFI-UHFFFAOYSA-N 291.373 -0.202 50 20 CBGD C[C@@H](O)C[C@@H]1COCCN1CC(=O)NNC(=O)C1CC1 767032412 XJOOEXQWUGLZIL-MWLCHTKSSA-N 285.344 -0.985 50 20 CBGD CS(=O)(=O)N1CCC[C@@H]1C(=O)NNc1ccccn1 777471596 ROPSQOIDLDOPPB-SECBINFHSA-N 284.341 -0.051 50 20 CBGD Cc1c[nH]cc(C(=O)NNC(=O)C(=O)N2CCCC2)c1=O 781422574 MTXMMNNFELYKTA-UHFFFAOYSA-N 292.295 -0.933 50 20 CBGD Cn1cc(-c2ccc(NC(=O)NNC(=O)CO)nn2)cn1 788792591 JFRYETFWOAKWAX-UHFFFAOYSA-N 291.271 -0.978 50 20 CBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)N=c1cc[nH]cc1 802033745 MGPDBAQPBOUWNJ-MRVPVSSYSA-N 280.284 -0.145 50 20 CBGD Cn1cc(-c2nn[nH]n2)cc1C(=O)NNC(=O)C1CCC1 822645973 ZLBADSQZYYZCEX-UHFFFAOYSA-N 289.299 -0.234 50 20 CBGD CCn1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)nn1 823476135 WHPFOXNUDZPXJG-HTQZYQBOSA-N 267.289 -0.516 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CC(c2cccnc2)=NO1 823879622 PVNFOGVYQMPPKD-LBPRGKRZSA-N 278.312 -0.080 50 20 CBGD CC(=O)N1CCCC[C@@H]1C(=O)NN(C)[C@H](C)CO 823971203 QLYFIUBBJATXLI-MWLCHTKSSA-N 257.334 -0.269 50 20 CBGD CN(C)CC(=O)NNc1ccc(-c2nn[nH]n2)cc1 825855840 KIKJGMZFBSQHJJ-UHFFFAOYSA-N 261.289 -0.129 50 20 CBGD CC(C)C(=O)NNS(=O)(=O)c1csnc1C(=O)O 826658396 PJKMXNJVRAGUCS-UHFFFAOYSA-N 293.326 -0.193 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCN(C)[C@@H]2C)n[nH]1 827019011 ZEDZUYCHUHDYNB-RKDXNWHRSA-N 265.317 -0.181 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@H]1C[C@@H]1C(=O)O 833117879 GSGRXYCQOKKRRE-IUCAKERBSA-N 263.253 -0.508 50 20 CBGD CN1CCN(C(=O)NN=Cc2ncnn2C)CC1 842532207 YGUUJZCUENUVQX-UHFFFAOYSA-N 251.294 -0.894 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCn1ccnc1 843647630 ZHIMMUZBRMCKEM-ZJUUUORDSA-N 266.301 -0.154 50 20 CBGD CC(=O)c1cn(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)nn1 843663164 XBJTWSBDEZOQIK-BDAKNGLRSA-N 295.299 -0.947 50 20 CBGD C=C(CN(C)C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843971749 RIPKWIZNDSGFNA-VHSXEESVSA-N 255.318 -0.323 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CCc2cnc(C)n2C1 845274938 JDOVTZUHRYZEHJ-MRVPVSSYSA-N 251.290 -0.286 50 20 CBGD CC1=C(C(=O)NNC(=O)C2CC2)[C@@H](C)n2nnnc2N1C 847285880 XTQBUUYUHUHECX-SSDOTTSWSA-N 291.315 -0.485 50 20 CBGD COCCS(=O)(=O)NNC(=O)c1cccc(F)n1 853051253 IGZSSIXMUPLYRM-UHFFFAOYSA-N 277.277 -0.569 50 20 CBGD CN1CCC(C(=O)NNC(=O)N2CCN(C)CC2)CC1 854378944 IZFKPCNZJYDRGG-UHFFFAOYSA-N 283.376 -0.684 50 20 CBGD CC1=NO[C@@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)C1 854516988 VXKXLJAVIUSQEJ-VHSXEESVSA-N 289.357 -0.357 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H](O)c1ccccn1 854920969 WVUYRQHDZBECQA-QMMMGPOBSA-N 254.315 -0.418 50 20 CBGD CCC(=O)N1CC[C@@H](C(=O)NN(C)C(=S)NC)C1 854923462 WQJNHSKRGZEOIC-MRVPVSSYSA-N 272.374 -0.288 50 20 CBGD C=CC1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 858695825 HSMPSEDBPNJWKW-SNVBAGLBSA-N 280.328 -0.096 50 20 CBGD O=C(C#Cc1cccs1)NNC(=O)[C@@H]1CCC(=O)N1 862460382 HQGFBRRNJRONMY-VIFPVBQESA-N 277.305 -0.474 50 20 CBGD COC(=O)c1cc(CN2CC[C@@H](B(O)O)C2)c[nH]1 864235281 PJMPNYKHMYKMLD-SECBINFHSA-N 252.079 -0.150 50 20 CBGD COCCn1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)cn1 868618812 ASLGJZVTKWQJJH-NSHDSACASA-N 296.327 -0.140 50 20 CBGD C[C@H](C(=O)NNC(=O)CNC(=O)c1cccs1)N(C)C 874269922 CECUKZRAFPAEPQ-MRVPVSSYSA-N 298.368 -0.425 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnn(C(F)F)c1 878681325 NDEZHVVTIDNHRW-UHFFFAOYSA-N 261.232 -0.399 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CCCC12OCCO2 889514987 ZEEUDDDRGCITGJ-VIFPVBQESA-N 287.316 -0.351 50 20 CBGD CN(CC(=O)NNC(=O)N1CCOCC1)C1CCC1 900426945 OJTGOWCSPGHDHI-UHFFFAOYSA-N 270.333 -0.456 50 20 CBGD C[C@H](C(=O)NNC(=O)c1ccccn1)S(C)(=O)=O 915356556 OSZQYOWJKMRLDM-SSDOTTSWSA-N 271.298 -0.724 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNc1nccc(OC)n1 920444942 KXYNHNGMWGZVIM-SSDOTTSWSA-N 267.289 -0.157 50 20 CBGD COCCCn1ccc(NC(=O)NNC(=O)CCO)n1 1116636162 UZGXBTMAMLEMIZ-UHFFFAOYSA-N 285.304 -0.545 50 20 CBGD CC(=O)NCC(=O)NNC(=O)OCC(F)(F)F 1118791044 VAOAFIHZGZJUPE-UHFFFAOYSA-N 257.168 -0.558 50 20 CBGD CNC(=S)N(C)NC(=O)c1cc(=O)c(OC)co1 1261744319 BZCPXBDXVJUFMZ-UHFFFAOYSA-N 271.298 -0.271 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C(C)(C)C)[C@@H]1CN(C)CCN1C 1263778783 RMBGJZCLZMDCRR-MNOVXSKESA-N 299.419 -0.003 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccccn1 1319098606 MUZZBHGXXUEQBN-UHFFFAOYSA-N 266.257 -0.796 50 20 CBGD COCCCCC(=O)NNC(=O)Cc1cc[nH]n1 1320229376 FVDMUZKATDEGQR-UHFFFAOYSA-N 254.290 -0.084 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(OC)nc1 1320347434 PYOKXGPTPOKECO-UHFFFAOYSA-N 266.257 -0.414 50 20 CBGD COCCCNC(=O)NNC(=O)CCc1cncn1C 1321042037 DGWIFUXUFTWWPK-UHFFFAOYSA-N 283.332 -0.280 50 20 CBGD CCn1nncc1C(=O)NNC(=S)NC(C)C 1324243650 KSRRLJTXNXCLKX-UHFFFAOYSA-N 256.335 -0.185 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CCOC[C@H]1C 1325017314 KZZPGGCUOGNMJL-HTQZYQBOSA-N 273.289 -0.838 50 20 CBGD COC[C@@H](C)NC(=S)NNC(=O)c1ccnnc1 1327559390 QRAJDONEDHRRJS-SSDOTTSWSA-N 269.330 -0.380 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCC[C@H](F)C2)N1 1328800291 QXKDNZBNPIXWOM-DJLDLDEBSA-N 286.307 -0.124 50 20 CBGD CCN1CCN(CCC(=O)NNc2cccnn2)CC1 1342262850 MLBHGAKIYOHLEO-UHFFFAOYSA-N 278.360 -0.053 50 20 CBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccccc1F 1343339394 AEICMPBAIPTMDL-UHFFFAOYSA-N 283.215 -0.915 50 20 CBGD CC(=O)NNC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CC(C)C 1347466167 FEAUNBHFVIIKPG-LLVKDONJSA-N 295.343 -0.350 50 20 CBGD NOCC(=O)NNC(=O)c1cc(-c2ccccc2)on1 1580358634 NZAJYBUCZZBQKH-UHFFFAOYSA-N 276.252 -0.007 50 20 CBGD O=C(Cc1c[nH]c2cnccc12)NNC(=O)[C@@H]1CCN1 1580565976 GJGBAGYSEQMHNC-JTQLQIEISA-N 273.296 -0.385 50 20 CBGD OB(O)[C@@H]1CCN(c2cnccc2-c2nn[nH]n2)C1 1593498617 QIEBOBRCZIOEHP-SSDOTTSWSA-N 260.066 -0.685 50 20 CBGD NC(=O)c1ccc(NNC(=O)C2(C(=O)O)CCC2)nn1 1594649892 CTTRGEFOQTVETE-UHFFFAOYSA-N 279.256 -0.727 50 20 CBGD O=C(NC[C@H](F)C(=O)O)NNC(=O)c1cccc(F)n1 1601521020 LPYOBCIHZRFQKZ-YFKPBYRVSA-N 288.210 -0.413 50 20 CBGD O=C(O)C[C@H]1COCCN1S(=O)(=O)CCl 1601965476 PEKJACYRHDWXTD-LURJTMIESA-N 257.695 -0.312 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cncc(C(=O)O)c1 1609878778 LNIUKDGVRLGJIH-XCBNKYQSSA-N 293.279 -0.034 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccnc(C(=O)O)c1 1610257518 YTIYVDUQXJGBPL-UHFFFAOYSA-N 296.283 -0.240 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)NCC1(C(=O)O)CC1 1610674778 BBAKZZQJIINTRQ-UHFFFAOYSA-N 292.295 -0.181 50 20 CBGD O=C(CCN1C(=O)CCC1=O)NNC(=O)c1ccccc1 263964297 FWLJGSUPXCNKIA-UHFFFAOYSA-N 289.291 -0.013 50 20 CBGD CN(NC(=O)CCNC(=O)OC(C)(C)C)C(N)=O 271266953 HSYDODUHAMEKLY-UHFFFAOYSA-N 260.294 -0.057 50 20 CBGD CC[S@@](=O)CC(=O)NNc1nccnc1OC 279251225 SXLBGEUKYICMIN-QGZVFWFLSA-N 258.303 -0.303 50 20 CBGD C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1nnc[nH]1 293878619 JMMVUIMHRBJSOT-SFYZADRCSA-N 255.278 -0.168 50 20 CBGD C[C@H]1CCN(CC(=O)Nc2cccc(B(O)O)c2)C1 584910505 BUCAEJDPXABADE-JTQLQIEISA-N 262.118 -0.353 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H]([C@@H]2CCOC2)C1 584965851 SFXWDQLNKDBFLN-CHWSQXEVSA-N 289.140 -0.135 50 20 CBGD CN(C)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(B(O)O)c1 585001507 YADAKAXYWPZRMD-KBPBESRZSA-N 290.172 -0.031 50 20 CBGD CC(C)N1CC[C@H](N(C)C(=O)c2ccc(B(O)O)cc2)C1 585001562 XIEQBIAKJKUTSU-AWEZNQCLSA-N 290.172 -0.079 50 20 CBGD CC[C@H]1COC[C@@H]1NC(=O)c1ccc(B(O)O)cc1 585008513 WFSRPKXZNIZSLG-CABZTGNLSA-N 263.102 -0.479 50 20 CBGD CC(C)(C)C[C@@H](O)CNCc1ccc(B(O)O)o1 585023357 KIXVERGPKRAWCU-SECBINFHSA-N 255.123 -0.154 50 20 CBGD CN1CCC[C@H](CNCc2ccc(B(O)O)cc2F)C1 585023582 JQWMEHZRTPAOBJ-LLVKDONJSA-N 280.152 -0.063 50 20 CBGD CNC(=O)[C@@H]1CCC[C@H]1NCc1ccc(B(O)O)cc1 585031463 GDQFCNXWUVTJGN-CHWSQXEVSA-N 276.145 -0.629 50 20 CBGD CS(=O)(=O)C1(CNCc2ccc(B(O)O)cc2)CC1 585038867 JDNCSIDSPVRCQX-UHFFFAOYSA-N 283.158 -0.967 50 20 CBGD Cc1cccc2c(=O)n(CCC(=O)NCB(O)O)cnc12 585061008 NVLNRYWQFVNLAE-UHFFFAOYSA-N 289.100 -0.777 50 20 CBGD C[C@]1(CO)C[C@@H](O)CN1S(=O)(=O)CBr 698137295 YSNBSABCCZCJAH-RNFRBKRXSA-N 288.163 -0.514 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(C(=O)O)CC1 736847080 KEAWOKIXIWXSKS-QMMMGPOBSA-N 271.317 -0.271 50 20 CBGD Cc1nn(C)c2ncc(C(=O)NNC(=O)CO)cc12 753443301 ZVQPBUIRLKWIGM-UHFFFAOYSA-N 263.257 -0.970 50 20 CBGD CCOC(=O)C(C)(C)C(=O)NNC(=O)Cc1cc[nH]n1 755260889 GNCBTMOHUNVANP-UHFFFAOYSA-N 282.300 -0.311 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccccc1OC 764317820 OMXBUTBAROMVOM-UHFFFAOYSA-N 295.295 -0.182 50 20 CBGD O=C(CO)NN=C1C(=O)Nc2cc3c(cc21)OCCO3 776782682 GOPZXBDOTORJBA-UHFFFAOYSA-N 277.236 -0.778 50 20 CBGD COC[C@@](C)(O)C(=O)NNc1ncncc1Cl 781829733 MJRSCWMKZVCCOL-SECBINFHSA-N 260.681 -0.030 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C[C@H]1CCSC1 782222021 QTUGVKZSRGYPHR-JGVFFNPUSA-N 279.387 -0.221 50 20 CBGD C[C@@H](CO)N(CC(=O)NNC(=O)C(C)(C)C)C[C@@H](C)O 785536646 HHZIFBZXQSCANV-VHSXEESVSA-N 289.376 -0.757 50 20 CBGD CNC(=O)[C@H]1CCC[C@H]1NCC(=O)NNC(=O)C(C)(C)C 794578395 YZERNCGWPTZJPO-VHSXEESVSA-N 298.387 -0.316 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(C)ns1 806980579 ZWNCCYDONYDAEO-UHFFFAOYSA-N 286.313 -0.426 50 20 CBGD O=C(CO)NNC(=O)c1cc2ccccc2c(=O)o1 807199065 RDDCVPPFJBMGHQ-UHFFFAOYSA-N 262.221 -0.454 50 20 CBGD O=C(NNc1ccc(F)cc1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 816844180 RRUCSSSPFMBGIA-IJLUTSLNSA-N 282.271 -0.318 50 20 CBGD COCCN1C[C@@H](C(=O)NN(C)C2CC2)CC1=O 819645317 GRVGLHAVKHGCPM-VIFPVBQESA-N 255.318 -0.393 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCC[C@H](N(C)C)C1 827654846 BVUPZORGUVSPAI-NSHDSACASA-N 270.377 -0.184 50 20 CBGD COCC(=O)NN[C@@H](C(=O)O)c1cccc(C#N)c1 831541273 QNGZYCBDPAQAEV-LLVKDONJSA-N 263.253 -0.049 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)C2)CC1 844137087 MDNDXLBWKWBMCI-SECBINFHSA-N 268.317 -0.656 50 20 CBGD O=C(NNc1ncncc1F)[C@@H]1CCc2nnnn2CC1 846216720 VJFUHLKQOZTFPA-SSDOTTSWSA-N 292.278 -0.302 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cc(O)nc(C2CC2)n1 847855253 IMRBHWRVVYBFTP-UHFFFAOYSA-N 280.284 -0.409 50 20 CBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNc1nc2ccccn2n1 847891910 KPUHPNMIXWLINH-JGVFFNPUSA-N 274.284 -0.316 50 20 CBGD C#C[C@H](CC)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 854070406 NEPFPHAACZQEFH-MWLCHTKSSA-N 273.358 -0.221 50 20 CBGD CCOC(=O)[C@H](CC(=O)NNC(=O)C(C)C)C(C)=O 854214050 DRENXUZDUOFUEQ-SECBINFHSA-N 272.301 -0.052 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccc(C(=O)OC)nc1 854926782 LDPCLJCAHZXFGH-UHFFFAOYSA-N 282.325 -0.051 50 20 CBGD CNC(=S)N(C)NC(=O)CNC(=O)C(C)(C)C 854927985 LINKXCCCXXODAZ-UHFFFAOYSA-N 260.363 -0.384 50 20 CBGD O=C(NC[C@@H]1COCCN1)NNC(=O)c1ccccc1O 861680933 MHEFPPIBFKIPHO-SECBINFHSA-N 294.311 -0.675 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(O)c1 862451656 PBVJRPJRSMPPHT-VIFPVBQESA-N 293.279 -0.560 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H](O)c2ccccc2)N1 862454329 FMAMRORBZYXLBF-ONGXEEELSA-N 277.280 -0.854 50 20 CBGD Cc1cc(=NNC(=O)[C@@H]2NC(=O)O[C@H]2C)cc[nH]1 862512061 IQTMTSNLBZMIME-IONNQARKSA-N 250.258 -0.248 50 20 CBGD CC1(CCNC(=O)c2ccc(B(O)O)cc2)OCCO1 863879227 OTMICIFSXKXJEK-UHFFFAOYSA-N 279.101 -0.751 50 20 CBGD O=C(/C=C\CN1CCOCC1)NNC(=O)[C@@H]1CCCCO1 868619800 SMAGJZIIDSHBPN-FHMRSRPSSA-N 297.355 -0.409 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)cc1)[C@@H](O)C(F)(F)F 877693965 WFTRJRSGFZQHGI-GMSGAONNSA-N 277.051 -0.232 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@H]1CC[C@@H]1C(N)=O 899997021 CUORATRAOGVCLP-BQBZGAKWSA-N 272.374 -0.208 50 20 CBGD C=CC(=O)N(CC)CC(=O)NNC(=O)[C@@H]1CCCCO1 908517639 OVAQQIQEWHBNMH-JTQLQIEISA-N 283.328 -0.263 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C1CCCCC1 919678850 GUMCGBLWLMFEMI-UHFFFAOYSA-N 262.331 -0.241 50 20 CBGD Cc1noc(CCCC(=O)NNC(=O)c2cnn(C)c2)n1 1116084855 JUFOQDKAAWUPIE-UHFFFAOYSA-N 292.299 -0.105 50 20 CBGD C[C@H]1[C@@H](C)N(C(=O)NNC(=O)c2cn[nH]c2)CC[S@]1=O 1118810410 ICHONUIWQWYCPS-SMPFOWEGSA-N 299.356 -0.395 50 20 CBGD COCC[C@@H](C)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1118865667 PVRFILJRUOWVKX-RKDXNWHRSA-N 286.332 -0.732 50 20 CBGD O=C(O)c1ccc(C(=O)N2CC[C@H](B(O)O)C2)cn1 1118914568 BJTDNRRPLDDVHJ-QMMMGPOBSA-N 264.046 -0.531 50 20 CBGD COc1ccsc1C(=O)NNC(=O)C(=O)NC1CC1 1251682779 GNIPZZUAZZKFHE-UHFFFAOYSA-N 283.309 -0.204 50 20 CBGD O=C(NNC(=O)c1cccc(F)n1)N[C@H]1CCOC1 1261640588 JFMGLIJJNGHGLJ-ZETCQYMHSA-N 268.248 -0.046 50 20 CBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc[nH]1 1317732559 UFSXYSSNZSCXLT-ZETCQYMHSA-N 271.298 -0.790 50 20 CBGD CCOCC(=O)NNC(=O)NCc1nnc2n1CCCC2 1318621786 PBYYICFOIHSNBW-UHFFFAOYSA-N 296.331 -0.519 50 20 CBGD C#CCNC(=O)CN1CCCN(C(=O)CCl)CC1 1319682538 NFELOCOJLJMYTG-UHFFFAOYSA-N 271.748 -0.491 50 20 CBGD C[C@@H](CS(C)(=O)=O)C(=O)NNc1ncc(F)cn1 1319774402 PPHIEKLTZKISIJ-LURJTMIESA-N 276.293 -0.261 50 20 CBGD CCC(=O)NNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 1322897623 DIULXRLMODYDEV-MRVPVSSYSA-N 288.329 -0.436 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)C(=O)N2CCCC2)n1 1323930721 SYVZXTGCNGNLGP-UHFFFAOYSA-N 287.279 -0.663 50 20 CBGD CCNC(=O)NNC(=O)c1ncn(C(C)(C)C)n1 1324736831 JRJZBNUXCAFHFF-UHFFFAOYSA-N 254.294 -0.003 50 20 CBGD Cn1cc([C@@H](CO)NS(=O)(=O)CCl)cn1 1329370870 QLQILRGPGRPARV-SSDOTTSWSA-N 253.711 -0.431 50 20 CBGD CC(C)C(=O)NNC(=O)NCCCCS(C)(=O)=O 1332010683 MPNQTZXJEYVWIP-UHFFFAOYSA-N 279.362 -0.202 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)NC)c1 1337961656 UAWSBZMFORLTRG-UHFFFAOYSA-N 292.295 -0.458 50 20 CBGD C=CCNC(=S)NNC(=O)C(=O)c1cnn(CC)c1 1344523302 DERIHIJZZRPHDO-UHFFFAOYSA-N 281.341 -0.233 50 20 CBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)NCC1CC1 1345692908 UQVFLUPVCDPHQN-MWLCHTKSSA-N 281.360 -0.885 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@H]2C[C@@]23CCNC3)n1 1573866075 WYVJDXVLVFJCPL-NOZJJQNGSA-N 276.344 -0.015 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@@H]1CCO[C@@H]1CN 1575142638 YOWIHYFDEMNCDJ-HTQZYQBOSA-N 274.390 -0.356 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1cc(N)cc(F)c1 1578766380 NBKFAEOHCNUXJE-UHFFFAOYSA-N 284.247 -0.589 50 20 CBGD O=C(NNC(=O)[C@@H]1NCC[C@H]2CCCC[C@H]21)c1ncon1 1580736598 YZDMPIZSYMYZAI-OPRDCNLKSA-N 293.327 -0.001 50 20 CBGD O=C(NC[C@H](F)C(=O)O)NNC(=O)c1ccccc1O 1601521380 QFQFIOOULCLEPX-ZETCQYMHSA-N 285.231 -0.241 50 20 CBGD COC(=O)CC(=O)NNc1ccc(-c2nn[nH]n2)cc1 1604928028 PPXRCYYCOCPVKF-UHFFFAOYSA-N 276.256 -0.127 50 20 CBGD Cc1nnc(NNC(=O)c2ccc[nH]c2=O)nc1O 23311676 HZOLKIVUWIRYIU-UHFFFAOYSA-N 262.229 -0.669 50 20 CBGD CCCCNC(=O)/C(C#N)=C/c1cn(C)c(=O)n(C)c1=O 25251500 VZDHZRJLTZJINW-JXMROGBWSA-N 290.323 -0.093 50 20 CBGD O=C(Cn1cc(C(=O)O)nn1)NNC(=O)c1cccs1 50213375 GBUPNOFBHFQKMD-UHFFFAOYSA-N 295.280 -0.501 50 20 CBGD CCN(C)C(=O)[C@H](C)NC(=O)NNc1cccnn1 188002080 WWDRQDUOKLZJHI-QMMMGPOBSA-N 266.305 -0.031 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CCc1ccc(O)cc1 274207282 MINSCYLFFWQYHG-UHFFFAOYSA-N 293.323 -0.003 50 20 CBGD CO[C@@H](C(=O)NNC(=O)N1CCOCC1)c1cnn(C)c1 281809749 YVPDPJNMLUTEBR-SNVBAGLBSA-N 297.315 -0.819 50 20 CBGD C[C@@](O)(C(=O)NNC(=O)CNC(=O)c1ccco1)C1CC1 286115418 MAINEKVAYBHDFB-ZDUSSCGKSA-N 295.295 -0.682 50 20 CBGD O=C(CN1CCOCC1)NNc1cccc(F)n1 286612220 QIHPTBOUABXQOL-UHFFFAOYSA-N 254.265 -0.004 50 20 CBGD COc1ccccc1OCC(=O)NNC(=O)CNC(C)=O 298281627 SGNMTEZACBWNSM-UHFFFAOYSA-N 295.295 -0.643 50 20 CBGD O=C(COc1ccc(F)cc1)NNC(=O)[C@H]1COCCO1 298425229 MLBDIQLHIKABCN-LLVKDONJSA-N 298.270 -0.233 50 20 CBGD C#CCO[C@H](C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 496981112 ZLJLBQUZVASUFB-SECBINFHSA-N 299.327 -0.303 50 20 CBGD CN1CCC[C@H]1CNC(=O)c1ccc(B(O)O)c(F)c1 584945427 HWEZMXMHGCDGLU-JTQLQIEISA-N 280.108 -0.671 50 20 CBGD CCC[C@H](CCO)CNC(=O)c1ccc(B(O)O)cc1 584960517 QTKMNFSBFNNGCD-LLVKDONJSA-N 279.145 -0.105 50 20 CBGD CN(CC1(O)CCC1)C(=O)c1cc(B(O)O)ccc1F 584977747 ZEGDUTJKJGABOE-UHFFFAOYSA-N 281.092 -0.508 50 20 CBGD COC[C@H]1CC[C@H]1NC(=O)c1cccc(B(O)O)c1 584991696 GEEOHKIEEAHABS-ZYHUDNBSSA-N 263.102 -0.479 50 20 CBGD CN(C)[C@H]1[C@@H]2CN(C(=O)c3cc(B(O)O)ccc3F)C[C@@H]21 584996232 AXGRXPZXFYDRHJ-PJXYFTJBSA-N 292.119 -0.863 50 20 CBGD CC[C@H](C)C[C@H](CO)NC(=O)c1cccc(B(O)O)c1 585003244 IVHLMXQLXXUMKQ-GXFFZTMASA-N 279.145 -0.107 50 20 CBGD COc1cccc([C@H](O)CNCc2ccc(B(O)O)o2)c1 585023123 GROMERQDKMYMNL-CYBMUJFWSA-N 291.112 -0.209 50 20 CBGD CCn1cc(CNCc2ccc(B(O)O)cc2)nn1 585047176 JLAXYOAJMLOGDD-UHFFFAOYSA-N 260.106 -0.732 50 20 CBGD Cc1cncc(CCNCc2ccc(B(O)O)o2)n1 585049941 MRLXFEIHDCPTRH-UHFFFAOYSA-N 261.090 -0.610 50 20 CBGD O=C(Cc1ccccc1F)NNC(=O)Cn1cncn1 731329072 VMBJYBVTHOGWRR-UHFFFAOYSA-N 277.259 -0.193 50 20 CBGD O=C(NNC(=S)NC(C1CC1)C1CC1)C(=O)NC1CC1 734755604 WTOSQZSZZWMWMC-UHFFFAOYSA-N 296.396 -0.051 50 20 CBGD C[C@@H](C#N)C(=O)NNC(=O)CNC(=O)c1cccs1 736671735 GECOCZSLMGLQCP-ZETCQYMHSA-N 280.309 -0.215 50 20 CBGD CNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O 743248882 UBHPTDLBHWHKSR-UHFFFAOYSA-N 254.202 -0.126 50 20 CBGD COCCn1cc(C=NNC(=O)C(=O)N2CCCC2)cn1 743436104 FSUAFVZWSPRZKG-UHFFFAOYSA-N 293.327 -0.398 50 20 CBGD CC(=NNC(=O)N1CCOCC1)c1cc(C(N)=O)n(C)c1 745590841 IOAHOEBJUZJIPB-UHFFFAOYSA-N 293.327 -0.110 50 20 CBGD CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)C2CC2)C1 746815805 FRHCOMUKTFDIOY-GFCCVEGCSA-N 253.302 -0.198 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CC23CCOCC3)cn1 748854164 ZLXBEOFMWMNMLD-JTQLQIEISA-N 278.312 -0.002 50 20 CBGD C=CCCOCC(=O)NNC(=O)CNC(=O)c1ccco1 751203361 NKAQRYSXMRJTOP-UHFFFAOYSA-N 295.295 -0.251 50 20 CBGD O=C(CO)NNC(=O)c1cc(Cl)c2c(c1)OCCO2 753444634 NYZYECQCRZQSBR-UHFFFAOYSA-N 286.671 -0.136 50 20 CBGD COC(=O)CCC(C)=NNC(=O)C(=O)NC1CC1 756876476 PDCBYYLULVSPOM-UHFFFAOYSA-N 255.274 -0.290 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)[C@@H]1CCNC1=O 759423427 JSTSJXMXEJZKOH-VHSXEESVSA-N 284.360 -0.611 50 20 CBGD CCOC(=O)c1ccc(NC(=O)C(=O)NNC(C)=O)cc1 763511986 LZDVNPBBXKSZJT-UHFFFAOYSA-N 293.279 -0.031 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H](O)c2cccnc2)n[nH]1 768276679 LRUNFNCGTHQZDR-SNVBAGLBSA-N 275.268 -0.392 50 20 CBGD CC(C)(C(N)=O)C(=O)NNc1ncccc1[N+](=O)[O-] 770044625 MEVYEMVWZVWREW-UHFFFAOYSA-N 267.245 -0.056 50 20 CBGD O=C(CO)NNC(=O)c1cccc(NC(=O)NC2CC2)c1 777781320 MTGBXMDXHXBQHW-UHFFFAOYSA-N 292.295 -0.276 50 20 CBGD CC(=NNC(=O)C(C)(C)O)c1cc(C(N)=O)n(C)c1 785460942 HEDQPNHESQLVKA-UHFFFAOYSA-N 266.301 -0.265 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCc3nccn3C2)cn1 787003274 HFPKWXQRYZAXAY-VIFPVBQESA-N 288.311 -0.360 50 20 CBGD CO[C@H](C(=O)NNc1nccn(C)c1=O)C1CC1 792649713 XFSOLWPWAQOUAI-QMMMGPOBSA-N 252.274 -0.352 50 20 CBGD COC(=O)CNC(=O)NN=Cc1c(C)cnn1C 794929007 LRWJNMXAQAMMMF-UHFFFAOYSA-N 253.262 -0.465 50 20 CBGD COC(=O)C[C@@H](C)CC(=O)NNc1nnc(C)c(O)n1 809572700 REEOHNQLJHJMJH-LURJTMIESA-N 283.288 -0.082 50 20 CBGD Cn1nnnc1CNC(=O)[C@@]1(C)C[C@H]1Br 820102886 IFNFSHHMQOQVHI-XRGYYRRGSA-N 274.122 0.000 50 20 CBGD CCN(CCO)NC(=O)CN1CCCCCC1=O 823837784 FUJNUVGPNFVYAK-UHFFFAOYSA-N 257.334 -0.266 50 20 CBGD CNC(=O)NNS(=O)(=O)c1csc(C(=O)O)c1 831001204 YMTHXGBDCBVNKS-UHFFFAOYSA-N 279.299 -0.431 50 20 CBGD CC(C)CC(=O)NNC(=O)c1cnc(C(=O)O)cn1 833472399 BRXRUTYFGAPDQI-UHFFFAOYSA-N 266.257 -0.018 50 20 CBGD N[C@@H]1CCC[C@@H]2CN(CC(=O)NNC(=O)C3CC3)C[C@H]21 843367642 GYBGZNQEDTYADT-IJLUTSLNSA-N 280.372 -0.397 50 20 CBGD Cc1ncc(C=NNC(=O)CN2CCCC2=O)n1C 853278469 DSFRUYALUDPABR-UHFFFAOYSA-N 263.301 -0.199 50 20 CBGD C[C@@]1(CNC(=O)NC(CO)CO)C[C@H]1Br 856956824 VKHMYLKZGPYSAG-APPZFPTMSA-N 281.150 -0.188 50 20 CBGD CC[C@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)OC 858471338 SYWWWMWCGDAMSQ-SFYZADRCSA-N 272.305 -0.980 50 20 CBGD COc1ccc(F)cc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862449369 FEDRCXVKBWXQLK-VIFPVBQESA-N 295.270 -0.126 50 20 CBGD Cc1cc(=NNC(=O)C[C@@H]2SC(=N)NC2=O)cc[nH]1 862510590 LRCYAMNZKWXVEX-QMMMGPOBSA-N 279.325 -0.189 50 20 CBGD C[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)C(C)(C)C 863463763 SWBHNLIOLNEEKY-ZETCQYMHSA-N 264.347 -0.139 50 20 CBGD CC(C)[C@@]1(C)C[C@@H]1C(=O)NNC(=O)CS(C)(=O)=O 863464551 IPTMBDMZEIVJPO-LDYMZIIASA-N 276.358 -0.139 50 20 CBGD COC(=O)[C@H](NC(=O)c1cccc(B(O)O)c1)C1CC1 863874862 CGXTWGFJCKXMCP-LLVKDONJSA-N 277.085 -0.952 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1C[C@H]1C(=O)OC 887143112 LTRUASGKTXOSQB-DTWKUNHWSA-N 252.270 -0.254 50 20 CBGD Cn1cc(C=NNC(=O)CC(F)(F)F)c(=O)n(C)c1=O 917550472 JTZABPKTZQWIPZ-UHFFFAOYSA-N 292.217 -0.514 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CCCCN(C)C 1116127097 ZGEVKFCEQPUEAV-UHFFFAOYSA-N 272.349 -0.610 50 20 CBGD CN(C)C(=O)NNC(=O)c1ncc(C(N)=O)cc1Cl 1116352216 QEWAIOJQECVKKP-UHFFFAOYSA-N 285.691 -0.250 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H](O)c1cccnc1 1257428541 WMAIBDFTXVCBIZ-LLVKDONJSA-N 275.268 -0.772 50 20 CBGD COC(=O)NCC(=O)NNC(=O)c1ccc(OC)cc1 1317947285 MWNPWDDMYIWEHH-UHFFFAOYSA-N 281.268 -0.188 50 20 CBGD C[C@H](C(=O)NNC(=O)CC(F)(F)F)S(C)(=O)=O 1317948292 BOMKVTIOSDIMTE-SCSAIBSYSA-N 276.236 -0.481 50 20 CBGD COC(=O)C(=O)NN=Cc1ccc(O)c(C(=O)O)c1 1320462316 ZJFRBZNGZIJEKY-UHFFFAOYSA-N 266.209 -0.287 50 20 CBGD O=C(NNC(=S)NCC1CC1)C(=O)Nc1ccccn1 1327016577 GHAUULAZPACGCW-UHFFFAOYSA-N 293.352 -0.075 50 20 CBGD O=C(O)CCC(=O)NNC(=O)c1n[nH]c2c1CCCC2 1335645862 FIUFKTCXULKWMR-UHFFFAOYSA-N 280.284 -0.086 50 20 CBGD CCn1cc(NC(=O)NNC(=O)CCO)ccc1=O 1338053630 ZXSUJMBDVOCOCP-UHFFFAOYSA-N 268.273 -0.597 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc(C(=O)O)cn1 1589415029 DUIVJUQLSZEFAE-BQBZGAKWSA-N 294.267 -0.639 50 20 CBGD C[C@@H](CC(=O)O)c1nc(-c2cccc(B(O)O)c2)no1 1592424284 OQBQNWMUQPSBGG-ZETCQYMHSA-N 276.057 -0.005 50 20 CBGD O=C(/C=C\c1ccc(C(=O)O)o1)NNC(=O)c1cnn[nH]1 1601236626 TYAYOQQFNYLXGZ-RQOWECAXSA-N 291.223 -0.430 50 20 CBGD COCCCNC(=O)NNC(=O)C(C)(C)C(=O)O 1604578596 KYNHKKIGAMLDIQ-UHFFFAOYSA-N 261.278 -0.536 50 20 CBGD Cc1cc(-c2nn[nH]n2)nc(N2CC[C@H](B(O)O)C2)n1 1605560260 RBBJGYPTBXMXDS-ZETCQYMHSA-N 275.081 -0.982 50 20 CBGD Cn1ccc(CC(=O)NNc2ccc(-c3nn[nH]n3)cn2)n1 1606248756 GOFRNOCUUWDMQW-UHFFFAOYSA-N 299.298 -0.319 50 20 CBGD N#Cc1c(O)ncc2c1CCCC2=NNC(=O)C(=O)O 1608195518 RATPRELLNSBOFF-UHFFFAOYSA-N 274.236 -0.100 50 20 CBGD NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1795525128 BDNMNHNBISFRBS-MBLNEYKQSA-N 293.726 -0.931 50 20 CBGD CC(=O)N[C@H](C(=O)NNC(=O)c1ccc[nH]1)C(C)C 102491659 CYXLACGJDIFWQD-JTQLQIEISA-N 266.301 -0.064 50 20 CBGD COC(=O)CCN1CCN(S(=O)(=O)CCl)CC1 157061985 JPQQXNRRCHBZQI-UHFFFAOYSA-N 284.765 -0.307 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2COCCO2)o1 174609937 CAJAFTYWEGBEOD-SECBINFHSA-N 254.242 -0.236 50 20 CBGD O=C(CN1CCCCC1=O)NNC(=O)NC1CC1 264153288 IFVKGROWHJEHBZ-UHFFFAOYSA-N 254.290 -0.508 50 20 CBGD Cc1cc(C(=O)NNC(=O)Cc2cc(C)[nH]n2)[nH]n1 269076787 VCJFAYZWMWMSMV-UHFFFAOYSA-N 262.273 -0.247 50 20 CBGD C=CCCOCCNC(=O)NNC(=O)C(=O)NC1CC1 270166109 ASOILOWGZXDAHL-UHFFFAOYSA-N 284.316 -0.812 50 20 CBGD CO[C@@H](C(=O)NNC(=O)c1cc(C)n[nH]1)C1CC1 281546461 KVFVUCCIXZPSSQ-SECBINFHSA-N 252.274 -0.096 50 20 CBGD C[C@@H]1C[C@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1 299542115 VUQWDDIDZYUTCR-BDAKNGLRSA-N 268.317 -0.405 50 20 CBGD CCN1CCO[C@@H](C(=O)NNC(=O)NC2CC2)C1 363296534 AIYABVJAXZTPEM-SECBINFHSA-N 256.306 -0.800 50 20 CBGD CCN1CCO[C@H](C(=O)NNc2nc(C)cc(OC)n2)C1 365766193 SHLARDRXPOBSPU-JTQLQIEISA-N 295.343 -0.043 50 20 CBGD NC(=O)C1(NC(=O)c2cccc(B(O)O)c2)CCCCC1 584935514 NBSKTOMTEFUMGN-UHFFFAOYSA-N 290.128 -0.716 50 20 CBGD O=C(NC[C@H]1CCCCO1)c1cccc(B(O)O)c1 584935649 SXNDVPVVKDEACQ-GFCCVEGCSA-N 263.102 -0.335 50 20 CBGD CCCN(CC)CCNC(=O)c1ccc(B(O)O)c(F)c1 584955528 RKBDJPADRJNOQP-UHFFFAOYSA-N 296.151 -0.033 50 20 CBGD C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cccc(B(O)O)c1 584957289 DMHLPNRHZFAEAI-YGRLFVJLSA-N 288.156 -0.421 50 20 CBGD CCC[C@@H](CCO)CNC(=O)c1ccc(B(O)O)cc1 584960520 QTKMNFSBFNNGCD-NSHDSACASA-N 279.145 -0.105 50 20 CBGD C[C@@H](O)[C@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584964862 MHRNNZAJNFFMBX-KOLCDFICSA-N 295.119 -0.262 50 20 CBGD O=C(NC[C@@H](CO)C1CCC1)c1ccc(B(O)O)c(F)c1 584988959 WIVVNJVZIDMWJN-NSHDSACASA-N 295.119 -0.356 50 20 CBGD CC[C@H](NC(=O)c1ccc(B(O)O)cc1)[C@H](O)CC 584997204 YHGVUNADKKIZMY-NWDGAFQWSA-N 265.118 -0.354 50 20 CBGD C[C@@H]1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)O1 584997329 APLOCKVCNNLHHJ-SKDRFNHKSA-N 263.102 -0.336 50 20 CBGD CN1CC[C@@H]2CN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 584997414 GGCOXJZDGQQYEK-YPMHNXCESA-N 274.129 -0.858 50 20 CBGD C[C@H](N(C)C(=O)c1ccc(B(O)O)cc1)C(C)(C)O 584997897 MWJJOFMBDPVKOF-VIFPVBQESA-N 265.118 -0.402 50 20 CBGD CC[C@@H](NC(=O)c1cccc(B(O)O)c1)[C@H](O)C(C)C 585002399 UGCDMAQHXCWWFQ-CHWSQXEVSA-N 279.145 -0.108 50 20 CBGD C[C@@H](CCn1cncn1)NCc1ccccc1B(O)O 585018129 QNZOHGVZOGJXFL-NSHDSACASA-N 274.133 -0.474 50 20 CBGD CN(CC(=O)NCB(O)O)c1ccc(Cl)cn1 585061712 YPVVMNPTWQEBGM-UHFFFAOYSA-N 257.486 -0.701 50 20 CBGD NC(=O)NN=Cc1cnc2ccc(-c3nn[nH]n3)cn12 737755806 RCAFVDNUKKCIQE-UHFFFAOYSA-N 271.244 -0.483 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccc(OCCN(C)C)cc1 748131684 MDCFSMDBOKDGMY-UHFFFAOYSA-N 292.339 -0.048 50 20 CBGD Cc1ccc(CC(=O)NNC(=O)C(=O)N2CCCC2)o1 753988609 YFAOPBJKLIDKAM-UHFFFAOYSA-N 279.296 -0.100 50 20 CBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@H]2CCCO2)C[C@@H](C)O1 756746348 VHOKZZFGLJWYKT-GRYCIOLGSA-N 299.371 -0.188 50 20 CBGD CCCC1(C(=O)NNC(=O)C(=O)NC2CC2)CC1 760303341 AQQXURKOZFTOBP-UHFFFAOYSA-N 253.302 -0.007 50 20 CBGD Cc1cc(C)nc(NNC(=O)Cn2cc([C@@H](C)O)nn2)n1 762971547 IMPANFPPUZSIFJ-SECBINFHSA-N 291.315 -0.118 50 20 CBGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)c2ccc[nH]2)c1C 764633546 PULRTJFYCOPJJP-UHFFFAOYSA-N 289.295 -0.200 50 20 CBGD CN(NC(=O)c1cccc(-n2cnnn2)c1)C(N)=O 770438344 RIWOLBPCJJBZHT-UHFFFAOYSA-N 261.245 -0.682 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@H]1CCCCS1(=O)=O 772422527 FZRRAUWBFHNWKD-SECBINFHSA-N 289.357 -0.306 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNc1ncnc2[nH]cnc12 806892727 KVDUXGGBUJLUHG-ZCFIWIBFSA-N 275.272 -0.583 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(C(=O)OC)n1C 815115237 RDGFEIKPXSICQG-UHFFFAOYSA-N 268.273 -0.224 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1CCc2cncn2C1 824621194 KCEHNOJVDYWBJG-SNVBAGLBSA-N 293.327 -0.482 50 20 CBGD O=C(NNC(=O)c1cnco1)c1cccc(-c2nn[nH]n2)c1 826445028 DFNHVUWPRXHQPK-UHFFFAOYSA-N 299.250 -0.071 50 20 CBGD COC(=O)[C@@]1(C)CCN(CC(=O)NNC(=O)C(C)C)C1 828047342 KUQZDDJPJFLRKO-ZDUSSCGKSA-N 285.344 -0.325 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21 832754855 URMIFIPRGRRLKH-IVZWLZJFSA-N 297.355 -0.400 50 20 CBGD O=C(O)NNS(=O)(=O)c1ccc(C(=O)O)cc1F 833281039 URGHMFVZGRCMFA-UHFFFAOYSA-N 278.217 -0.015 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n(C)n1 843647339 SQZXBARAFJWEFC-DTWKUNHWSA-N 266.301 -0.085 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)COC(F)F 843655594 NKGXUHKZIISZMJ-NTSWFWBYSA-N 252.217 -0.202 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc(N(C)C)cn1 843977095 FSCYONRUKAUVKM-IUCAKERBSA-N 293.327 -0.271 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843977707 HGFNCYHGMSKMQN-XLPZGREQSA-N 273.289 -0.697 50 20 CBGD NCCCN(CCCN)S(=O)(=O)CBr 850588257 YIQFOMJLPBOBDB-UHFFFAOYSA-N 288.211 -0.332 50 20 CBGD C=CCCn1cc(C=NNC(=O)C(=O)NC(C)C)nn1 853283558 VBOKVFWPFKPUOL-UHFFFAOYSA-N 278.316 -0.171 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@](C)(O)C2CCC2)CC1 854383231 ZDCFNQSNEXRHQO-CYBMUJFWSA-N 284.360 -0.474 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2cccs2)N1 858087574 PXQFHDSZQOYIQQ-QMMMGPOBSA-N 282.325 -0.143 50 20 CBGD CC[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)OC 863877082 RLHBPAQAUWTNOT-JTQLQIEISA-N 265.074 -0.952 50 20 CBGD C#C[C@@H](NC(=O)c1cccc(B(O)O)c1)[C@@H]1CCCO1 863878322 CXAJMUWGQRFKLN-OLZOCXBDSA-N 273.097 -0.723 50 20 CBGD CC(C)OC(=O)CCCNC(=O)c1ccc(B(O)O)cc1 863878329 DCLUQCXOMZRZLG-UHFFFAOYSA-N 293.128 -0.172 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccc2c(c1)OCC(=O)N2 910178958 SFENFGRXVVTCFD-QMMMGPOBSA-N 279.296 -0.025 50 20 CBGD Cc1nc2scc(C)n2c1C=NNC(=O)C(N)=O 916274463 OEKDLMMSMIHFSR-UHFFFAOYSA-N 265.298 -0.052 50 20 CBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(N)=O 1115863898 PKLBHFOWIKZYSD-UHFFFAOYSA-N 285.329 -0.399 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCCCCCN 1118200823 JDCJRDPGSZNICZ-UHFFFAOYSA-N 260.294 -0.991 50 20 CBGD Cn1nc2c(c1C(=O)N1CC[C@H](B(O)O)C1)CCC2 1119539426 FGHWVSRTAYAQRN-QMMMGPOBSA-N 263.106 -0.402 50 20 CBGD O=C(CN1CC[C@H](n2cncn2)C1)NNC(=O)C1CC1 1255250444 OQRBBKYVWHKBFP-JTQLQIEISA-N 278.316 -0.918 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1ccnn1C 1261832979 HVXCJKAUBULOHB-UHFFFAOYSA-N 258.303 -0.695 50 20 CBGD CC[C@H]1C[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)CCO1 1319940991 WFGINMKPCPJOHU-UWVGGRQHSA-N 285.344 -0.136 50 20 CBGD CN1CC[C@@H](C(=O)NNc2nncc(N)c2Cl)C1=O 1320416287 FIWLXJPOHJSLCR-YFKPBYRVSA-N 284.707 -0.366 50 20 CBGD C#CCC(C)(C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1321212646 CDDXNODXIJOKTE-SECBINFHSA-N 286.353 -0.382 50 20 CBGD C#CCCCC(=O)NNC(=O)CN1CCC(CO)CC1 1336123131 GDYSAPCFJXTQEO-UHFFFAOYSA-N 281.356 -0.358 50 20 CBGD Cc1cccc(C(=O)NNS(=O)(=O)c2cnc[nH]2)n1 1344416226 OMMFEVGEVXUZDS-UHFFFAOYSA-N 281.297 -0.264 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CCc1nc(N(C)C)no1 1352230239 ONCRNFUSGLWWLD-QMMMGPOBSA-N 271.321 -0.588 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1CCNC(=O)C1 1355146657 LXIVSJQFIWUVPE-VIFPVBQESA-N 251.286 -0.537 50 20 CBGD Cc1cccc(NNC(=O)c2cnnn2C2CNC2)n1 1579772363 XEZZAJGFJFKVBO-UHFFFAOYSA-N 273.300 -0.117 50 20 CBGD O=C(COCc1cccnc1)NNC(=O)[C@@H]1CCN1 1580560825 IVRSTGFWPCCYAB-JTQLQIEISA-N 264.285 -0.893 50 20 CBGD CCCN(C(=O)c1ccc(B(O)O)cc1)[C@@H](C)C(=O)O 1595826092 APKZDEMYGPNWNX-VIFPVBQESA-N 279.101 -0.308 50 20 CBGD Cn1ccnc(NNC(=O)C23CC(C(=O)O)(C2)C3)c1=O 1600980535 FTHQKOPWLFIMBC-UHFFFAOYSA-N 278.268 -0.522 50 20 CBGD O=C(NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1)c1ncon1 1601553624 OLMSQCYVXARBGA-NKWVEPMBSA-N 282.256 -0.278 50 20 CBGD O=C(O)COCCNC(=O)NNC(=O)CCc1ccco1 1602080106 YIGAZESLEMYHIO-UHFFFAOYSA-N 299.283 -0.356 50 20 CBGD O=C1CC[C@@H](C(=O)NN[C@@H](C(=O)O)c2ccc(F)cc2)N1 1602637928 IOGCQWSOFYAROK-GXSJLCMTSA-N 295.270 -0.149 50 20 CBGD CCN(CCO)NC(=O)c1cc(-c2nn[nH]n2)ccc1F 1604318537 ADQKWIFUQHKMOM-UHFFFAOYSA-N 294.290 -0.035 50 20 CBGD C[C@@H](O)CC(C)(C)CNC(=O)NNC(=O)C(=O)O 1604383336 KCNFKMZAXYSMGQ-ZCFIWIBFSA-N 261.278 -0.802 50 20 CBGD COCC(=O)NNC(=O)Nc1ccc(OCC(=O)O)cc1 1606774014 BWUJBHZMPISAKH-UHFFFAOYSA-N 297.267 -0.051 50 20 CBGD Cn1cnc2cc(CNC(=O)NNC(=O)C(=O)O)ccc21 1608136239 LEDLNSFSYGAFTO-UHFFFAOYSA-N 291.267 -0.512 50 20 CBGD COC(=O)C(=O)NN=Cc1ccc(C(=O)O)n1C 1610149221 ATKISMYKHPXAEU-UHFFFAOYSA-N 253.214 -0.654 50 20 CBGD CCOC(=O)N1CCC[C@@H](C(=O)NNC(=O)NC)C1 56376434 DKESWADDIFRYNT-MRVPVSSYSA-N 272.305 -0.185 50 20 CBGD COC(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 68215949 QKBZVGOPRPLGQW-UHFFFAOYSA-N 299.264 -0.881 50 20 CBGD CN(NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1)C(N)=O 181071260 BLOCZRLAILHLAQ-LBPRGKRZSA-N 292.339 -0.071 50 20 CBGD COc1cc(C=NNC(=O)C(N)=O)cc(OC)c1 254765666 ZCGVNKAZKWDPQL-UHFFFAOYSA-N 251.242 -0.361 50 20 CBGD Cc1ccc(NNC(=O)N[C@@H]2CC(=O)N(C)C2)nn1 267467254 BGAMKNQNRSAIEQ-MRVPVSSYSA-N 264.289 -0.358 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@H]1CC12CCOCC2 365902590 AWBKQOVXFSZPIC-SNVBAGLBSA-N 283.328 -0.124 50 20 CBGD O=C(CO)NNC(=O)Nc1cccc2c1OCCC2=O 376884014 RDZUMJJDPIPWLT-UHFFFAOYSA-N 279.252 -0.203 50 20 CBGD C#CCNC(=O)NNc1nc(O)c2cnn(C)c2n1 490865655 FVVQSHKPSXNRTL-UHFFFAOYSA-N 261.245 -0.672 50 20 CBGD C#CCN(CC#N)CC(=O)NNC(=O)c1cccc(C#N)c1 491806573 AIIYRXCXDPSBDD-UHFFFAOYSA-N 295.302 -0.222 50 20 CBGD COCCN(C)NC(=O)CNC(=O)OCC(F)(F)F 496811031 SCVDJHYACMDKFX-UHFFFAOYSA-N 287.238 -0.116 50 20 CBGD CN(C)C(=O)CCCNC(=O)c1ccc(B(O)O)c(F)c1 584934931 XHJZKHBNPAKVFR-UHFFFAOYSA-N 296.107 -0.896 50 20 CBGD C[C@](CO)(NC(=O)c1ccc(B(O)O)cc1)C1CC1 584963648 WQHMLQJVIFMYNG-CYBMUJFWSA-N 263.102 -0.743 50 20 CBGD C[C@@H](O)[C@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 584965479 RKBLCILDQWPPFF-ZJUUUORDSA-N 295.119 -0.262 50 20 CBGD CCC[C@](C)(CO)NC(=O)c1ccc(B(O)O)cc1 584972132 NVVCZHKAQFGYGJ-CYBMUJFWSA-N 265.118 -0.353 50 20 CBGD CCO[C@@H]1COCC[C@H]1NC(=O)c1cccc(B(O)O)c1 584974655 HYGQDHIABYFGHJ-CHWSQXEVSA-N 293.128 -0.710 50 20 CBGD CN(C)C(=O)CCCNCc1ccccc1B(O)O 585021546 LXSOKGNXCXLOKD-UHFFFAOYSA-N 264.134 -0.676 50 20 CBGD CC[C@H](NCc1ccc(B(O)O)cc1F)[C@H](O)C(F)F 585043966 WDLGAWUXQICPKM-QWRGUYRKSA-N 291.078 0.000 50 20 CBGD O=C(NCB(O)O)c1ccn(-c2ccccc2F)n1 585061856 KBHMZMBCWKTJIN-UHFFFAOYSA-N 263.037 -0.247 50 20 CBGD CCOCC(=O)NNC(=O)NCc1ccncc1 731281800 XTCCZKKGVOFQIT-UHFFFAOYSA-N 252.274 -0.052 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CC(=O)N(C3CC3)C2)cn1 735446017 PBKREXZVHIAVIH-QMMMGPOBSA-N 291.311 -0.808 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@@H](CO)C1 746461935 GJEVPGWLIKBCKE-WDEREUQCSA-N 271.361 -0.117 50 20 CBGD C[C@H](C(=O)NNC(=O)C1CC1)N1CCSCC1 750828449 WYLXNPONTDLNID-MRVPVSSYSA-N 257.359 -0.019 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 753445159 VCIIPGXQFCVFIS-MRVPVSSYSA-N 295.270 -0.682 50 20 CBGD CCOCC(=O)NNC(=O)Nc1cncnc1OC 757691317 WGSPVASQMFBRMA-UHFFFAOYSA-N 269.261 -0.326 50 20 CBGD COC(=O)CN(CC(=O)NNC(=O)C1CC1)C1CCCC1 761953859 UBEYWZMARNWTMH-UHFFFAOYSA-N 297.355 -0.039 50 20 CBGD CC(=O)NNC(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 765180518 JRBDVNQNVVIALK-UHFFFAOYSA-N 290.276 -0.354 50 20 CBGD CCCn1cc(C(=O)NNC(=O)C(C)(C)O)nn1 768241993 VTJCDDTVQHWIDN-UHFFFAOYSA-N 255.278 -0.780 50 20 CBGD N#CCC(=O)NNC(=O)CNC(=O)c1cccs1 772696622 XUWHEVRLHOGTSA-UHFFFAOYSA-N 266.282 -0.461 50 20 CBGD CC#CCCNC(=O)NNC(=O)C(=O)N1CCCC1 776206803 XBEDEYUDLKMZNK-UHFFFAOYSA-N 266.301 -0.647 50 20 CBGD COc1cncc(C(=O)NNC(=O)c2c[nH]nc2C)n1 790600559 ZCQDKNKJOAYPQF-UHFFFAOYSA-N 276.256 -0.408 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CN(C)CC(=O)O)c1 821106903 DSXRIMCVBHIKMI-UHFFFAOYSA-N 279.296 -0.228 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CN(C)C(=O)O)o1 830225769 XJAYMMYTTGWNFO-UHFFFAOYSA-N 255.230 -0.041 50 20 CBGD COCCNCC(=O)NNc1nc(C)cc(OC)n1 830981696 ZWQMGYUAPBZGIK-UHFFFAOYSA-N 269.305 -0.527 50 20 CBGD CC(=O)N(C)CC(=O)NNc1ccc(C(=O)O)cn1 833388785 ZRIJUZQMDZMMLG-UHFFFAOYSA-N 266.257 -0.299 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCN1C(=O)CCC1=O 843641632 GXJWQYBKOJBIII-RKDXNWHRSA-N 297.311 -0.902 50 20 CBGD CCN(CC)CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843979639 PSCNCGCWVKNQBG-NXEZZACHSA-N 257.334 -0.099 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN[C@H]1C[C@@H](O)C1(C)C 846962372 XTDVOMUAUMTXMS-DTWKUNHWSA-N 271.361 -0.071 50 20 CBGD Cn1nnc2c1CC[C@H](NS(=O)(=O)CCl)C2 848490453 HLQXZHSVSPIQSB-LURJTMIESA-N 264.738 -0.212 50 20 CBGD CNC(=S)N(C)NC(=O)c1cnn2c1OCCC2 854920723 HPLZGRGREINKMZ-UHFFFAOYSA-N 269.330 -0.254 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=S)NCC2CCC2)CN1 855092142 RUCYINUAPHTZLR-VIFPVBQESA-N 284.385 -0.192 50 20 CBGD CC[C@@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)OC 858471339 SYWWWMWCGDAMSQ-YUMQZZPRSA-N 272.305 -0.980 50 20 CBGD COc1cc(C)nc(NNC(=O)NC[C@@H]2COCCN2)n1 861683294 JRQWYYJABPLADB-SECBINFHSA-N 296.331 -0.592 50 20 CBGD COC[C@H]1CCCN1NC(=O)c1cc(B(O)O)ccc1F 863887752 UEYGIFVXAADSRC-SNVBAGLBSA-N 296.107 -0.739 50 20 CBGD C=CCNC(=S)NNC(=O)c1cc(C(=O)OC)nn1C 864456614 KTSJLKZNDDTABC-UHFFFAOYSA-N 297.340 -0.498 50 20 CBGD COCCOCC(=O)NNS(=O)(=O)c1ccsc1 872382972 IWPFHXZZESCXQV-UHFFFAOYSA-N 294.354 -0.279 50 20 CBGD COCCN1CC[C@@H](NC(=O)NN(C)C(=O)OC)C1 875309038 RCPWOYCTWSMRTB-SECBINFHSA-N 274.321 -0.381 50 20 CBGD CC(C)C(=O)NNC(=O)Cn1cc(CN2CCCC2)nn1 881299823 XKFYOJGRDSZJTL-UHFFFAOYSA-N 294.359 -0.323 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1NC(=O)O[C@@H]1C 887148123 OWKKWVREDPDHIR-APPZFPTMSA-N 253.258 -0.566 50 20 CBGD CC(=O)NNC(=O)CNS(=O)(=O)c1cccc(F)c1 913173182 XOPBLTWOKAWKLJ-UHFFFAOYSA-N 289.288 -0.729 50 20 CBGD CC(C)C#CC(=O)NNC(=O)CN1CCCC1=O 913733330 FDKFLCSMHILDFF-UHFFFAOYSA-N 251.286 -0.584 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1C[C@H]1C(=O)OCC 935290293 KQOXDISCWADRDH-HTQZYQBOSA-N 257.290 -0.122 50 20 CBGD Cc1nc(CSCC(=O)NNC(=O)CO)cs1 1116554338 OVXDILLFDBFETE-UHFFFAOYSA-N 275.355 -0.176 50 20 CBGD CCOC(=O)/C(C#N)=C/N[C@@H](C)c1nnnn1C 1262669106 NFYBBJBLINPFOG-DGUDBNDOSA-N 250.262 -0.169 50 20 CBGD O=C(CO[C@H]1CCOC1)NNC(=O)Cc1cccnc1 1318978948 BXVBBIUCLRWMOB-NSHDSACASA-N 279.296 -0.423 50 20 CBGD O=C(NN=C1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1320777809 VCVKJVTWZMMWSX-PEHGTWAWSA-N 274.342 -0.172 50 20 CBGD Cc1c(C#N)cccc1NC(=O)C(=O)NNC(=O)CCO 1321151581 GDQQLZLDIQLDOS-UHFFFAOYSA-N 290.279 -0.665 50 20 CBGD CCOC(=O)NCC(=O)NNc1nncc(N)c1Cl 1321507792 OYVXEXLNGLOSIA-UHFFFAOYSA-N 288.695 -0.099 50 20 CBGD C[C@H]1C[C@H](NC(=O)NNC(=O)c2cnn(C)c2)CCN1C 1322211908 YLNKALPQKOSUJQ-GXSJLCMTSA-N 294.359 -0.153 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCC2(O)CCC2)cn1 1323746303 NVSPMUMQECKGRJ-UHFFFAOYSA-N 281.316 -0.331 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@]1(C(N)=O)CCOC1 1326821329 GAIILYCVTDAWFC-BPOWMSRESA-N 253.258 -0.809 50 20 CBGD CC(C[C@@H]1CCC(=O)N1)=NNC(=O)CS(C)(=O)=O 1330141897 GSZLWLHTYJANPU-QMMMGPOBSA-N 275.330 -0.808 50 20 CBGD CN(CC(=O)NNc1cnnn1C)C(=O)C1CC1 1331131731 LUZJNRULFGWKNX-UHFFFAOYSA-N 252.278 -0.873 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCN(CCC#N)CC1 1331145301 SHNFKKKCRGVAHN-UHFFFAOYSA-N 281.360 -0.679 50 20 CBGD C[C@@H](C[S@](C)=O)NC(=O)NNC(=O)c1ccc[nH]1 1337716665 REJXDBDSLQJUTF-VIIUKITBSA-N 272.330 -0.274 50 20 CBGD C[C@H]1CCCN1CCNC(=O)NNC(=O)c1cccnn1 1343304922 IIEWGOLGNRXIBW-JTQLQIEISA-N 292.343 -0.095 50 20 CBGD CNC(=O)NNC(=O)c1ccc(CO)cc1OC 1350579913 SYRGYHILXXLCQU-UHFFFAOYSA-N 253.258 -0.239 50 20 CBGD O=C(NNc1ncncc1F)N[C@@H]1CCS(=O)(=O)C1 1356383040 VDHSCHUBTULDSM-ZCFIWIBFSA-N 289.292 -0.571 50 20 CBGD CC(=O)N[C@H](CCC(C)C)C(=O)NNC(=O)CCCN 1575003052 MYVKPXZALOJPJH-LLVKDONJSA-N 286.376 -0.186 50 20 CBGD CC(=O)NNC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1588870016 QNNXTSXEDNLCNC-NSHDSACASA-N 299.294 -0.284 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](C(=O)O)[C@@H](C)C1 1589424917 FQOXWWTZPBFQMY-LPEHRKFASA-N 285.344 -0.025 50 20 CBGD O=C(NCCc1cccs1)NNC(=O)C(=O)O 1601513750 ZQJYQABNLLJODE-UHFFFAOYSA-N 257.271 -0.294 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1ccccc1CC(=O)O 1604858527 CGXRIVNZDNBXNN-UHFFFAOYSA-N 293.279 -0.190 50 20 CBGD C[C@@H]1CC[C@H](C(=O)NNC(=O)[C@@H]2CC[C@@H]2C(=O)O)O1 1605004438 VCAYVLTWAXLMOI-LURQLKTLSA-N 270.285 -0.188 50 20 CBGD CN1C[C@H](C(=O)NNc2ccccc2C(=O)O)NC1=O 1606197888 NOGYMCUYOHRDHS-SECBINFHSA-N 278.268 -0.149 50 20 CBGD Cc1ccc(CNC(=O)NNC(=O)C(=O)O)cc1C#N 1607783473 ARJYDJKIKIODHN-UHFFFAOYSA-N 276.252 -0.218 50 20 CBGD O=C(N[C@H](CC(F)F)C(=O)O)c1ccc(B(O)O)cc1 1608390108 IBZYXKZJUCKFKB-MRVPVSSYSA-N 287.027 -0.795 50 20 CBGD O=C(CCNC(=O)c1ccco1)NNC(=O)C1CC1 15793845 CVISMVGAOODLTD-UHFFFAOYSA-N 265.269 -0.043 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CN2CCCC2=O)o1 194353268 QRYGMHIVZCCDIB-UHFFFAOYSA-N 265.269 -0.029 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2COCCO2)n1 266977739 YIOWZHPLPVTAPI-MRVPVSSYSA-N 268.273 -0.348 50 20 CBGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)NC1CC1 268440177 KILJGMMDBGVGAH-UHFFFAOYSA-N 280.284 -0.645 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)C1CCS(=O)(=O)CC1 584913454 XGEASEQUVDSROU-UHFFFAOYSA-N 297.141 -0.870 50 20 CBGD O=C(NCCOC[C@H]1CCCO1)c1ccc(B(O)O)cc1 584947723 ZHXJRELXAYXBDZ-CYBMUJFWSA-N 293.128 -0.708 50 20 CBGD C[C@](O)(CNC(=O)c1ccc(B(O)O)c(F)c1)C1CC1 584953496 DIGFMLZABTTXFK-ZDUSSCGKSA-N 281.092 -0.604 50 20 CBGD C[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H](C(N)=O)C1 584973392 HNWAJHKEJVJSOK-SKDRFNHKSA-N 290.128 -0.908 50 20 CBGD Cc1c([C@H](C)NCc2ccc(B(O)O)o2)cnn1C 585018500 WQHMIAWKTIWWMN-QMMMGPOBSA-N 263.106 -0.148 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1)[C@@H]1CN(C)CCO1 585029429 YNCJXBKJLDQRKN-FZMZJTMJSA-N 278.161 -0.825 50 20 CBGD COC[C@@H](NCc1ccccc1B(O)O)[C@H]1CCCO1 585039137 OTRONWMVRLNLMG-ZIAGYGMSSA-N 279.145 -0.350 50 20 CBGD OB(O)c1ccc(CNCCC2(O)CCOCC2)cc1 585040472 KWTCXPXVASRTCN-UHFFFAOYSA-N 279.145 -0.612 50 20 CBGD OC[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NCc1ccc(B(O)O)o1 585041490 YEEKLXPYRUJTOJ-LKVCOOQKSA-N 265.118 -0.544 50 20 CBGD N#CCc1ccccc1S(=O)(=O)N1CC[C@@H](B(O)O)C1 585056733 AIKSDCZJZDTSMY-LLVKDONJSA-N 294.141 -0.010 50 20 CBGD O=S(=O)(N1CCCCCC1)N1CC[C@@H](B(O)O)C1 585057640 IDOZHIAMTDTVTP-SNVBAGLBSA-N 276.167 -0.344 50 20 CBGD Cc1nc2ccc(S(=O)(=O)NCB(O)O)cc2s1 585059352 KDXPIAGURHQNNW-UHFFFAOYSA-N 286.143 -0.105 50 20 CBGD O=C(NCB(O)O)c1ccc(Cn2cccn2)cc1 585060379 FTPYBGKQICEZOI-UHFFFAOYSA-N 259.074 -0.327 50 20 CBGD COC(=O)NCCCC(=O)NNC(=O)NCC1CC1 730773371 JRCNLOWKBIJBPC-UHFFFAOYSA-N 272.305 -0.137 50 20 CBGD CN1CC[C@@H](NC(=O)NNc2cccnn2)C1=O 738503200 PVTZMVMBUNHFSX-SSDOTTSWSA-N 250.262 -0.667 50 20 CBGD CC[C@@H](COC)NC(=O)NNC(=O)C(=O)NC1CC1 739050218 UAXPQLGXHQCYJF-ZETCQYMHSA-N 272.305 -0.980 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)N[C@@H]1CCOC1 752257387 VOBIBLDCQFYNHH-SNVBAGLBSA-N 264.285 -0.257 50 20 CBGD COC(=O)c1ccc(NNC(=O)C2(C(N)=O)CC2)nc1 759734484 IEMSMRKGTQGIMT-UHFFFAOYSA-N 278.268 -0.423 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)c1cncnc1 760602356 PKEAWLNMIFROKA-UHFFFAOYSA-N 257.253 -0.125 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H](C)S(C)(=O)=O 770245608 GHTOFWUNSTZREW-ZCFIWIBFSA-N 299.443 -0.722 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1ncncc1Cl 781831338 FYWIGYGVUGNRJD-YFKPBYRVSA-N 293.736 -0.489 50 20 CBGD CC[C@@H](C)CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 790491240 GAIGTKRDEIYSLC-BDAKNGLRSA-N 291.373 -0.060 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=O)Cc1ccccc1OC 792798053 LLDPJYQOJCPFJI-CQSZACIVSA-N 296.323 -0.218 50 20 CBGD CC[C@H](C)CCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 806787780 MVGBXYBACJVVSW-IUCAKERBSA-N 293.389 -0.102 50 20 CBGD CC1CCN(CC(=O)NNC(=O)N2CCN(C)CC2)CC1 807381986 RPHWJNSHGLKWHV-UHFFFAOYSA-N 297.403 -0.294 50 20 CBGD O=C1NC(=O)C(=NNC(=O)C2CCCC2)C(=O)N1 814218734 QOGHODWHVBEQDC-UHFFFAOYSA-N 252.230 -0.985 50 20 CBGD COCCN(C)NC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F 822843163 INSPQPZYYYMPNA-YUMQZZPRSA-N 297.277 -0.090 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2cncn2C1)NC1CC1 823768043 NFNUTCWVVDYIFI-QMMMGPOBSA-N 263.301 -0.062 50 20 CBGD CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)CN(C)C)C1 825708304 FLYKBIYBJMGKIS-NXEZZACHSA-N 257.334 -0.099 50 20 CBGD CN(NC(=O)c1cc(-c2nn[nH]n2)cs1)C(N)=O 826004157 LFDHMLBKKVTGKS-UHFFFAOYSA-N 267.274 -0.417 50 20 CBGD CC(C)C1(C(=O)NNC(=O)c2cccnn2)COC1 829342202 KFMVONGMURXJTH-UHFFFAOYSA-N 264.285 -0.090 50 20 CBGD C[C@@H]1CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](C)O1 834955715 HNNOXWRTVZTJCI-BWZBUEFSSA-N 277.346 -0.406 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)COC[C@@H]1CCCO1 843651130 LQWIPQKAZAKCAS-GARJFASQSA-N 286.328 -0.246 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ncn1 843662806 SUQBNNABJFBNPH-DTWKUNHWSA-N 264.285 -0.029 50 20 CBGD Cc1cc(=NNC(=O)Cn2cc([C@H](C)O)nn2)cc[nH]1 862512611 CGWJOSKBDSVBBP-VIFPVBQESA-N 276.300 -0.400 50 20 CBGD CC(C)(C)C(=O)NNC(=O)c1cc(B(O)O)ccc1F 863870054 XMQLZTONLXLDCD-UHFFFAOYSA-N 282.080 -0.687 50 20 CBGD C[C@H](Cc1cnccn1)NCc1ccccc1B(O)O 876977488 YZXKZNVFDANLSX-LLVKDONJSA-N 271.129 -0.123 50 20 CBGD CO[C@]1(C(=O)NNC(=O)CN(C)C)CCSC1 896129068 QOOSBVYZKDWOGC-SNVBAGLBSA-N 261.347 -0.783 50 20 CBGD Cc1cccc(NNC(=O)C2CN(S(C)(=O)=O)C2)n1 912982909 UNVQAIWVSDSQFX-UHFFFAOYSA-N 284.341 -0.275 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)NCCNC(=O)C1CC1 918060911 WANBQIGDTRDOEG-UHFFFAOYSA-N 296.249 -0.205 50 20 CBGD CNC(=O)NNC(=O)c1ccccc1-n1cnnn1 1115888804 CZRRCLVJGMLUIB-UHFFFAOYSA-N 261.245 -0.764 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H]1CC12CCOCC2 1118865704 QUTLAFREYSPUAP-VIFPVBQESA-N 279.300 -0.077 50 20 CBGD CCn1nc(C)c(CNC(=O)NNC(=O)c2cn[nH]c2)n1 1118866558 ZJZULFQHKNHQMG-UHFFFAOYSA-N 292.303 -0.526 50 20 CBGD COC(=O)NNC(=O)c1c([N+](=O)[O-])c(C)nn1C 1254944930 OFDDFLHPZPDOPW-UHFFFAOYSA-N 257.206 -0.362 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)OC2 1317964089 NTCTUUUVAGTNLZ-UHFFFAOYSA-N 285.281 -0.521 50 20 CBGD C[C@H]1C[C@H](NC(=O)NNC(=O)c2cnn(C)c2)CCO1 1319961673 CITHJGHUWKFCQH-WCBMZHEXSA-N 281.316 -0.068 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CC(C)(C)OC1(C)C 1323564408 SMQUTWBVICTYQX-SSDOTTSWSA-N 287.316 -0.164 50 20 CBGD CNC(=O)c1ccc(NC(=O)C(=O)NNC(C)=O)c(C)c1 1325506196 MSFKLNLOMCLQLL-UHFFFAOYSA-N 292.295 -0.540 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1328894759 DVFVPMLDZOYHPO-HLTSFMKQSA-N 260.290 -0.780 50 20 CBGD CN(C)C(=O)CCNC(=O)NNC(=O)c1cccc(F)n1 1329892691 PYQCOOICZHWWSO-UHFFFAOYSA-N 297.290 -0.357 50 20 CBGD COCC(=O)N[C@H](C(=O)NNc1cnnn1C)C(C)C 1330423326 HILKRUFGEUQVTK-JTQLQIEISA-N 284.320 -0.955 50 20 CBGD COc1cccnc1CC(=O)NNC(=O)[C@H]1CCC(=O)N1 1348386039 DCRPGGPXUVHQCN-MRVPVSSYSA-N 292.295 -0.941 50 20 CBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNc1ccncn1 1348696078 NWPKBDDDIHJRNE-NXEZZACHSA-N 262.317 -0.692 50 20 CBGD Cc1nnc(NNC(=O)N[C@@H]2CCN[C@@H](C)C2)n1C 1579912807 PZGKFDNFTOSLBZ-IONNQARKSA-N 267.337 -0.110 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@]23CCCC[C@@H]2NCC3)nn1 1579953142 KWNZEQLSZHIXBA-GXFFZTMASA-N 292.343 -0.502 50 20 CBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1ccnnc1 1593157344 JNLTYWAFPXQYNC-UHFFFAOYSA-N 299.254 -0.940 50 20 CBGD COC(=O)[C@@H](NNC(=O)C(=O)O)c1ccc(C#N)cc1 1598711145 YDSWQKVNHXKAQJ-VIFPVBQESA-N 277.236 -0.522 50 20 CBGD O=C(O)Cn1cc(C(=O)NNC(=O)[C@@H]2CCCS2)nn1 1606330580 JXKRDYHXCZHZJK-ZETCQYMHSA-N 299.312 -0.981 50 20 CBGD CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)c(O)c1 1609063971 QUKLSXLMWVPWBI-UHFFFAOYSA-N 262.229 -0.647 50 20 CBGD COCC[C@H](NC(=O)NNC(=O)C(=O)O)c1ccco1 1610256314 WROOYGIGSVWBSL-ZETCQYMHSA-N 285.256 -0.228 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCCc2c[nH]nc21 1610699083 FYUAEIUODTYIGR-ZCFIWIBFSA-N 267.245 -0.798 50 20 CBGD CCOCC(=O)NN=Cc1cc(C(=O)O)nn1C 1776043936 PMBWXNCWCSQABS-UHFFFAOYSA-N 254.246 -0.395 50 20 CBGD C[C@H](O)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1846169120 WIOUJSNWRUWFEK-DTWKUNHWSA-N 290.747 -0.830 50 20 CBGD COc1ccnc(NNC(=O)CN2CSCC2=O)n1 46364144 TYQMMSFFZMRVQP-UHFFFAOYSA-N 283.313 -0.539 50 20 CBGD O=C(Cc1ccc(F)cc1)NNC(=O)c1cn[nH]n1 80233681 LWXIRHYPTQOYLS-UHFFFAOYSA-N 263.232 -0.053 50 20 CBGD Cc1cc(C(=O)NNC(=O)CN2CCCCC2=O)[nH]n1 151202438 LMGFZOWXDAIAJE-UHFFFAOYSA-N 279.300 -0.508 50 20 CBGD O=S(=O)(CCCCCl)N(CCO)CCO 162561309 CWJOEPLGTDSKRK-UHFFFAOYSA-N 259.755 -0.378 50 20 CBGD CC(C)CCC(=O)NCC(=O)NNC(=O)N(C)C 264707920 VMOQKBRHGSONJK-UHFFFAOYSA-N 258.322 -0.159 50 20 CBGD CN(NC(=O)C[C@H]1Oc2ccccc2NC1=O)C(N)=O 272153190 GNKBTNSQCUXQGJ-SECBINFHSA-N 278.268 -0.182 50 20 CBGD CCN(C)C(=O)CNC(=O)NNc1nc2ccccn2n1 276765729 GDDBNMWPBPEBOY-UHFFFAOYSA-N 291.315 -0.166 50 20 CBGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)[C@@H]1CCCO1 294777696 YTEDOSHBYIHSKF-JTQLQIEISA-N 295.295 -0.811 50 20 CBGD CCOC(=O)NNS(=O)(=O)C[C@H](CC)OC 496438239 MNUFBMZAAVOCLK-ZETCQYMHSA-N 254.308 -0.008 50 20 CBGD CC(C)C[C@H](C(N)=O)C(=O)Nc1cccc(B(O)O)c1 584912866 WUEFJFYEIYYKNX-LLVKDONJSA-N 278.117 -0.548 50 20 CBGD CN(C(=O)c1cccc(B(O)O)c1)C1CCC(CO)CC1 584958933 VSDLDDJYYJAUPR-UHFFFAOYSA-N 291.156 -0.011 50 20 CBGD CN1CC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 584971297 OIVDZLTWZHIOPI-RISCZKNCSA-N 288.156 -0.467 50 20 CBGD C[C@H](CN1CCOCC1)NCc1ccccc1B(O)O 585015953 OPISAGNCXMFJEW-GFCCVEGCSA-N 278.161 -0.823 50 20 CBGD C[C@H](NCc1cccc(B(O)O)c1)C(=O)NC1CCCC1 585021378 JOLZTAYIBYKVQW-NSHDSACASA-N 290.172 -0.097 50 20 CBGD CCN1CC[C@H](NCc2ccc(B(O)O)o2)C[C@@H]1C 585022921 DAVFIFVOZRSSMB-QWRGUYRKSA-N 266.150 -0.078 50 20 CBGD CC(C)[C@H](CCO)NCc1ccc(B(O)O)cc1 585025673 ZXXSCROPZVIBMD-ZDUSSCGKSA-N 251.135 -0.137 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)cc1F)[C@@H]1CN(C)CCO1 585029161 WHVSJOPRCBBNLT-YGRLFVJLSA-N 296.151 -0.686 50 20 CBGD OB(O)c1ccccc1CN[C@H]1CCc2c[nH]nc2C1 585031887 ZNZATPQASAOEGP-LBPRGKRZSA-N 271.129 -0.263 50 20 CBGD C[S@](=O)C1(CNCc2ccc(B(O)O)o2)CCC1 585040034 YUGBKSWZVREHBT-SFHVURJKSA-N 271.147 -0.650 50 20 CBGD OC[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NCc1ccccc1B(O)O 585040247 GZFRXRUJOKDOAL-UHXUCMFUSA-N 275.157 -0.137 50 20 CBGD C[C@@H](NC(=O)CC1CCCCC1)C(=O)NCB(O)O 585061792 HCALRNCQJVPYQJ-SECBINFHSA-N 270.138 -0.410 50 20 CBGD CN(C)c1ccnc(C(=O)N2CC[C@@H](B(O)O)C2)c1 585065834 KQGXCELASOGRPD-SECBINFHSA-N 263.106 -0.164 50 20 CBGD CN(CC(=O)NNC(=O)CC(C)(C)C)S(C)(=O)=O 728607059 YCNVOIIGVJQOTO-UHFFFAOYSA-N 279.362 -0.539 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)CN1CCCNC1=O 728608077 LFJVTMWVEVWAEU-UHFFFAOYSA-N 270.333 -0.015 50 20 CBGD CN(C)CC(=O)NNC(=O)CS(=O)(=O)C1CCCC1 733359257 BJKLUMYBOBXICB-UHFFFAOYSA-N 291.373 -0.947 50 20 CBGD Cc1nc([N+](=O)[O-])cn1CCC(=O)NNC(=O)CN(C)C 733359636 UYLMFWHDLLPXMK-UHFFFAOYSA-N 298.303 -0.801 50 20 CBGD CCOCC(=O)NNC(=O)NCC[S@@](=O)C(C)(C)C 741412263 NBNCHMBXCHBAEJ-LJQANCHMSA-N 293.389 -0.100 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCn1cccn1 748637304 ZMVUBYQLAFKTAA-JTQLQIEISA-N 299.331 -0.735 50 20 CBGD O=C(CO)NNC(=O)c1ccc(OC2CCOCC2)cc1 753452377 RXSBFUAKVOGJIA-UHFFFAOYSA-N 294.307 -0.002 50 20 CBGD Cc1cc(NC(=O)NNC(=O)Cc2cc[nH]n2)n(C)n1 755430815 VDYAWXQAZPLEQG-UHFFFAOYSA-N 277.288 -0.153 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@H](O)c1cccnc1 764882217 YSNUWTIHKPFEIE-SNVBAGLBSA-N 264.285 -0.145 50 20 CBGD N#Cc1cc(Cl)nc(NNC(=O)Cn2cnnn2)c1 769076150 SUJLLHIIGBXVQV-UHFFFAOYSA-N 278.663 -0.264 50 20 CBGD COc1cccc(NC(=O)NNC(=O)CO)c1F 771242573 GUDDAGMGAVETQB-UHFFFAOYSA-N 257.221 -0.021 50 20 CBGD O=C(O)COc1cccc(C=NNC(=O)CO)c1 776779903 SOAXRWBGFODGRO-UHFFFAOYSA-N 252.226 -0.408 50 20 CBGD O=C(NNC(=O)c1cccc2nn[nH]c12)c1cnn[nH]1 783609578 YZDYKQCJZXIAGJ-UHFFFAOYSA-N 272.228 -0.849 50 20 CBGD C/C=C(/CC)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 788687188 DOTAXPYPYWHYIE-CHDHTGKKSA-N 274.342 -0.075 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H](C)C(=O)N(C)CC 788892585 MWCAAGLZUMFVLC-QMMMGPOBSA-N 274.321 -0.780 50 20 CBGD Cc1nnc(C(=O)NNC(=O)N2CCN(C)CC2)s1 808471214 YQADOUGRJYNJKL-UHFFFAOYSA-N 284.345 -0.552 50 20 CBGD COc1ncc(/C=C\C(=O)NN(C)[C@H](C)CO)cn1 823935658 VAENRNLZZGZNSH-XRVBUDJMSA-N 266.301 -0.158 50 20 CBGD CCCn1nccc1C(=O)NNC(=O)N1CCOCC1 824620822 AQHDWPWUDQOEIS-UHFFFAOYSA-N 281.316 -0.020 50 20 CBGD COC(=O)[C@@H](NCC(=O)NNC(=O)C(C)C)C(C)(C)C 828365176 PVYBUNHPCZBPRQ-SNVBAGLBSA-N 287.360 -0.033 50 20 CBGD C#C[C@@H](NCC(=O)NNC(=O)C(C)C)[C@H]1CCCO1 828953920 MQDODQNRNVYBJU-GHMZBOCLSA-N 267.329 -0.440 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNc1ccc(C(=O)O)cn1 833396229 ZRQYPCHQGYGCLM-LURJTMIESA-N 266.257 -0.253 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1 843971302 BXEBVCIWIZBFGE-YUMQZZPRSA-N 269.301 -0.915 50 20 CBGD C=CC(=O)NCCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843979465 OHEXFUCIWHOSBC-DTWKUNHWSA-N 269.301 -0.749 50 20 CBGD CCOC(=O)/C(C#N)=C\N[C@H]1CCN(S(C)(=O)=O)C1 844269500 WNZAKTZXJRZXQB-RNKPRXRFSA-N 287.341 -0.420 50 20 CBGD CN(NC(=O)[C@@H]1CCS(=O)(=O)N1)c1ccccc1 846628891 WMGKIFZVSFMKFD-JTQLQIEISA-N 269.326 -0.154 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2n[nH]cc2C1)c1cc[nH]n1 855357999 XUHOFLJDQWTLBQ-ZETCQYMHSA-N 274.284 -0.301 50 20 CBGD CC(=O)N[C@@H](C(=O)NNC(=O)c1cc[nH]n1)C1CCCC1 855361700 HNGWBZHYXBFZKW-LLVKDONJSA-N 293.327 -0.134 50 20 CBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)OCC(F)(F)F 856018810 HLPHHEZLZDFXFR-CRCLSJGQSA-N 283.206 -0.182 50 20 CBGD C[C@H](CC(N)=O)C(=O)NNC(=O)OCC(F)(F)F 856020753 SKNKERPBQPXEME-SCSAIBSYSA-N 271.195 -0.182 50 20 CBGD C[C@@H]1CC(=NNC(=O)[C@H]2CCC(=O)N2)c2nccn21 863149490 ARQGHFUSEMBRGF-HTQZYQBOSA-N 261.285 -0.053 50 20 CBGD O=C(NC[C@@H]1CCCOC1)c1cc(B(O)O)ccc1F 864953878 IAPXACKPJFUXIW-VIFPVBQESA-N 281.092 -0.338 50 20 CBGD COCC1(C(=O)NNC(=O)Cc2cc(C)[nH]n2)CC1 869014201 DYTFOUYQXPPLRC-UHFFFAOYSA-N 266.301 -0.165 50 20 CBGD CN1C[C@H](O)C[C@@]1(C)C(=O)NNC(=O)OC(C)(C)C 899926634 VWBFNIGJACIHMH-PELKAZGASA-N 273.333 -0.003 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cccn2nnnc12 910139161 PRMAXJBKXDSXKF-ZETCQYMHSA-N 250.262 -0.918 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCc1cnc(C)s1 1116328278 YHAYXAOKISOBAB-UHFFFAOYSA-N 286.313 -0.503 50 20 CBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1nncc(N)c1Cl 1118023161 HCRIDLCCSIELSA-BBIVZNJYSA-N 286.679 -0.348 50 20 CBGD CC(C)(C)C(=O)NCC(=O)NNc1ccc(C(N)=O)nn1 1252852248 NKGQTVQCMJODOC-UHFFFAOYSA-N 294.315 -0.819 50 20 CBGD Cn1nncc1NNC(=O)CN1CCCCC1=O 1261245493 DPVUOGRIBYOTFV-UHFFFAOYSA-N 252.278 -0.729 50 20 CBGD CN(NC(=O)c1ccc(N2CCCC2)nn1)C(N)=O 1320143788 VQCLVPVWZFMMCO-UHFFFAOYSA-N 264.289 -0.268 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc(C(C)=O)cc1 1320349204 WMRMIEPAMATDMO-UHFFFAOYSA-N 263.253 -0.005 50 20 CBGD CNC(=O)CCCC(=O)NNC(=O)c1cnn(C)c1 1320496588 YVXVLUZXCYXKNR-UHFFFAOYSA-N 267.289 -0.903 50 20 CBGD C[C@H](NNC(=O)Cn1ccc(O)nc1=O)C(F)(F)F 1329522734 SDYMUUNSDIHJBQ-YFKPBYRVSA-N 280.206 -0.480 50 20 CBGD COc1nc(Cl)c(C=NNC(=O)[C@@H]2CCC(=O)N2)n1C 1329556173 FPPSNFDALPMQCG-LURJTMIESA-N 299.718 -0.189 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)N1 1335583411 QPEMEAWGUDEAPJ-MMWGEVLESA-N 292.339 -0.192 50 20 CBGD CCCNC(=O)NNC(=O)c1cn(CC2(C)COC2)nn1 1337844469 XMILLKGECODOHF-UHFFFAOYSA-N 296.331 -0.331 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@H]2CC=CCC2)N1 1349343862 OCSOHRTXPLLDNP-IUCAKERBSA-N 266.301 -0.296 50 20 CBGD Cc1noc(C)c1[C@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1351627913 LLWDRPLQOKBZGY-RCOVLWMOSA-N 294.311 -0.179 50 20 CBGD O=C(NNC(=O)c1ccc[nH]1)N[C@H]1C[C@H](C(=O)O)C1 1574578746 NJIJGKHQHMBFTG-LJGSYFOKSA-N 266.257 -0.178 50 20 CBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1C[C@H]1CN 1579873163 VGRWHZUPMOXHHC-UWVGGRQHSA-N 287.323 -0.001 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NC[C@H]1CCO[C@H]1C(=O)O 1589693373 JGKNNVXMWVKVKO-HTQZYQBOSA-N 287.316 -0.147 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)[C@@H]1CCCS1 1593908827 MDWYFBMKMAPAKD-NTSWFWBYSA-N 262.287 -0.871 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@@H](C(=O)O)C2CC2)nn1 1594649891 CSWJSJHRBTYEMC-QMMMGPOBSA-N 279.256 -0.871 50 20 CBGD COC[C@@](C)(NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)O 1606786338 SLRAMPCRUNBIJO-JTMRULEUSA-N 292.295 -0.067 50 20 CBGD CCS(=O)(=O)CC(=O)NNC(=O)c1ccccn1 48888784 CWGMMAWADQMSDN-UHFFFAOYSA-N 271.298 -0.723 50 20 CBGD O=C(Cc1nc2ncccn2n1)NNC(=O)NCC1CC1 139316553 AUWMYZQQLGKYFQ-UHFFFAOYSA-N 289.299 -0.593 50 20 CBGD CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)CO)c1C 180964045 VAMCZQKMFMXLFT-UHFFFAOYSA-N 253.258 -0.413 50 20 CBGD C[C@@H](Oc1ccccc1)C(=O)NNC(=O)C(=O)NC1CC1 263825757 SBTAHWRBXUWZHP-SECBINFHSA-N 291.307 -0.120 50 20 CBGD CN(CC(=O)NNc1nccnc1Cl)S(C)(=O)=O 265134754 GUQHIIMRJGUVKV-UHFFFAOYSA-N 293.736 -0.536 50 20 CBGD COCC(=O)N(C)CC(=O)NNC(=O)NC1CCCC1 270379501 XVEXOEOBMHLTJA-UHFFFAOYSA-N 286.332 -0.636 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)CNc1ccccc1 270574997 QHVDOSDLRPHVNF-VIFPVBQESA-N 294.311 -0.010 50 20 CBGD COC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)NC(C)C 285130123 NHUOUASDFZOKPC-YUMQZZPRSA-N 257.290 -0.076 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cncnc2)O1 294198422 KWHPOQGBBWOMLM-CBAPKCEASA-N 250.258 -0.195 50 20 CBGD CC(=O)N1CCC[C@H]1C(=O)NNC(=O)CC1CC1 294259360 UHHJQSPHJQQYJA-JTQLQIEISA-N 253.302 -0.055 50 20 CBGD C[C@H](CN)N(C)CC(=O)NNC(=O)c1ccccc1 382978175 OWWUCTQZOLZORE-SNVBAGLBSA-N 264.329 -0.273 50 20 CBGD Cn1nnc(CNS(=O)(=O)CCCCl)n1 398077173 MCBULHCWCPPLRQ-UHFFFAOYSA-N 253.715 -0.742 50 20 CBGD CN1C(=O)C[C@H](NC(=O)/C(C#N)=C/c2cnn(C)c2)C1=O 491005642 BIYAEJSFKPBCAT-RZCNENHTSA-N 287.279 -0.799 50 20 CBGD CN(C)C[C@@H]1CCCN1C(=O)c1ccc(B(O)O)c(F)c1 584938793 CFFKRBIGDJSNHV-NSHDSACASA-N 294.135 -0.328 50 20 CBGD CC1(C)[C@H](NC(=O)c2ccc(B(O)O)cc2)[C@H]2CCO[C@H]21 584948271 BEWIRKOQEAURBO-JHJVBQTASA-N 289.140 -0.090 50 20 CBGD CNC(=O)CCCN(C)C(=O)c1cc(B(O)O)ccc1F 584964260 AOPCFRSRFGQFPR-UHFFFAOYSA-N 296.107 -0.896 50 20 CBGD O=C(N[C@@H]1CCCCC[C@H]1O)c1ccc(B(O)O)cc1 584989743 ISZJQZRGZNCRMX-CHWSQXEVSA-N 277.129 -0.210 50 20 CBGD COCC(C)(C)CNC(=O)c1ccc(B(O)O)cc1 584992797 RUWWKLSCXLIXLH-UHFFFAOYSA-N 265.118 -0.231 50 20 CBGD O=C(N[C@H]1CC[C@@H](CO)C1)c1cccc(B(O)O)c1 584994669 CPRQETZGJXEXBB-SKDRFNHKSA-N 263.102 -0.743 50 20 CBGD CC[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@H](C)O 584998308 PEWKPWWOFKXBMS-WRWORJQWSA-N 269.081 -0.605 50 20 CBGD OB(O)C1=CCN(Cc2cc3c(cn2)OCO3)CC1 585138746 PZWLDLWZWINGLW-UHFFFAOYSA-N 262.074 -0.046 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)c1cnn(C)c1 735473511 ZJNWVSFIECEOSB-SSDOTTSWSA-N 267.289 -0.904 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCOCC2CC2)cn1 735512187 HKLFBSCZGBGAQZ-UHFFFAOYSA-N 281.316 -0.209 50 20 CBGD O=C(NCCN1C(=O)CCC1=O)NNc1cccnn1 736386800 CLGCGUPFYHBDJY-UHFFFAOYSA-N 278.272 -0.748 50 20 CBGD Cc1cc(OCC(=O)NNC(=O)C(=O)NC(C)C)no1 744439800 LEDPEOOOBQPNSA-UHFFFAOYSA-N 284.272 -0.966 50 20 CBGD C[C@@H]1OCCC1=NNC(=O)[C@H]1CCS(=O)(=O)C1 747752068 UXKBDESNWALZKZ-YUMQZZPRSA-N 260.315 -0.298 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)C[C@H](C)C(=O)NC 747967028 JOJSOZZVKQIJPZ-DTWKUNHWSA-N 272.349 -0.754 50 20 CBGD CCOCCNC(=S)NNC(=O)C(=O)NC(C)C 750979417 ANPYTISPJBMENO-UHFFFAOYSA-N 276.362 -0.957 50 20 CBGD C#CCOc1cccc(NC(=O)C(=O)NNC(C)=O)c1 763516990 QBJRMFNKNIUOTM-UHFFFAOYSA-N 275.264 -0.196 50 20 CBGD C[C@H]1C[C@@H](C(=O)NNC(=O)C(C)(C)O)CCC1=O 768240970 HKVJNFQZNSMMRY-YUMQZZPRSA-N 256.302 -0.090 50 20 CBGD COC(=O)C1(N(C)CC(=O)NNC(=O)C2CC2)CCCC1 770238634 HZIFTJUPRBUJEU-UHFFFAOYSA-N 297.355 -0.039 50 20 CBGD CN(NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)C(N)=O 770439678 SZCTYXBWPLTMSP-VIFPVBQESA-N 268.317 -0.323 50 20 CBGD CCS(=O)(=O)CC(C)=NNC(=O)NCC(=O)OC 779822166 AVEDDBPYYPDMPM-UHFFFAOYSA-N 279.318 -0.731 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](C(=O)OC)[C@@H]1C 787325436 QQWVVDNCCQRELC-GUBZILKMSA-N 285.344 -0.184 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCn1ccnn1 787629881 SYVHLRWUPGLKLR-QMMMGPOBSA-N 283.288 -0.843 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cc(C(=O)OC)n(C)c1 790175104 YSKGEFBJWQTHTH-UHFFFAOYSA-N 296.283 -0.382 50 20 CBGD C[C@@H](NS(=O)(=O)CBr)C(=O)NCCF 800165590 VGKGBZAHZQHSSB-RXMQYKEDSA-N 291.142 -0.268 50 20 CBGD CSSCCNC(=O)[C@H](CO)NC(N)=O 803480584 NTPXLTKNEPFJGY-YFKPBYRVSA-N 253.349 -0.857 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cccc(CO)c2)cn1 813457586 UVOQALFMRQURMR-UHFFFAOYSA-N 274.280 -0.013 50 20 CBGD Cc1cc(CC(=O)NN=C2CCS(=O)(=O)CC2)n[nH]1 814787639 PUJIJLLUSAPOSG-UHFFFAOYSA-N 284.341 -0.059 50 20 CBGD Cn1c(NNC(=O)CCN)nc2ccccc2c1=O 831786415 AZZZAGPVOBDEGW-UHFFFAOYSA-N 261.285 -0.275 50 20 CBGD CO[C@H](CC(=O)NNC(=O)C(=O)NC(C)C)C(F)(F)F 845104097 XWRNGSULANMTHS-ZCFIWIBFSA-N 299.249 -0.374 50 20 CBGD CCCS(=O)(=O)CC(=O)NN(C)C(=S)NC 854925124 BWOSHLGNYYJTIM-UHFFFAOYSA-N 267.376 -0.722 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=S)NCC2CCC2)C1=O 855089338 MWNHUHYQZPGMLP-VIFPVBQESA-N 284.385 -0.240 50 20 CBGD CCN(CC)CCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858120409 DEKINTDEPMHVTB-SNVBAGLBSA-N 299.375 -0.673 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 862095838 QJCUORSTRZGKJK-AATLWQCWSA-N 283.328 -0.527 50 20 CBGD CCC(=NNC(=O)CS(C)(=O)=O)c1nccn1C 863187749 RZDYZHXITDYQAZ-UHFFFAOYSA-N 272.330 -0.305 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccc(C)nc1 869912994 RPZFHBLCPWPXSL-UHFFFAOYSA-N 267.285 -0.186 50 20 CBGD COCCOCC(=O)NN=C(C)C[C@@H]1CCC(=O)N1 872400893 XCTKIJHLCZNOKF-JTQLQIEISA-N 271.317 -0.190 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@H]2CC23CCC3)N1 873080609 QXFDCVGMWMQBQT-YUMQZZPRSA-N 266.301 -0.462 50 20 CBGD CNC(=S)N(C)NC(=O)c1cn(C)nc1OC 883971547 GJDPYBQMEGRBHZ-UHFFFAOYSA-N 257.319 -0.490 50 20 CBGD CO[C@@]1(C(=O)NNC(=O)CN(C)C)CCSC1 896129059 QOOSBVYZKDWOGC-JTQLQIEISA-N 261.347 -0.783 50 20 CBGD C[C@@H]1CCN(CCNC(=O)NNC(=O)c2ncccn2)C1 897461716 WDJUKSHINRGSJH-SNVBAGLBSA-N 292.343 -0.238 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@H]1C(F)(F)F 912095271 ZAHPJQCAJGCQIU-SNVBAGLBSA-N 289.018 -0.273 50 20 CBGD CN1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 913532771 LZZNSPPNZGCJPS-BETUJISGSA-N 274.129 -0.715 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 920297708 MABQAYUTMZXLSZ-ZETCQYMHSA-N 265.335 -0.882 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)Cc1cccc(O)n1 1119861703 CPDYBSWNCGYGNB-UHFFFAOYSA-N 278.312 -0.224 50 20 CBGD CNS(=O)(=O)c1ccc(C(=O)NN(C)C(N)=O)cc1 1319841582 MVBMOJITUNHVOB-UHFFFAOYSA-N 286.313 -0.750 50 20 CBGD CN(C)Cc1cc(C(=O)NNC(=O)C2CC2)no1 1319972021 DTTUKOFPHSZKBK-UHFFFAOYSA-N 252.274 -0.093 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 1321566126 HHPGTKRWAOWNFG-MRVPVSSYSA-N 284.385 -0.099 50 20 CBGD CCOCC(=O)NNC(=O)NCc1snnc1C 1324343428 GZYFPNASPRETKT-UHFFFAOYSA-N 273.318 -0.287 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CCO[C@H](C)C1 1324804624 YWDRIYBAVODPQO-SFYZADRCSA-N 273.289 -0.695 50 20 CBGD COCC(=O)NCCC(=O)NNc1nccnc1OC 1325262411 SVRKVMIECYXFAM-UHFFFAOYSA-N 283.288 -0.919 50 20 CBGD Cc1oc(C#N)cc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1329079190 UZWRNWSJNLEKPN-SECBINFHSA-N 276.252 -0.501 50 20 CBGD O=C(Cn1cncn1)NNC(=O)CC(F)(F)F 1329349211 GOKGIXJUTMORHH-UHFFFAOYSA-N 251.168 -0.622 50 20 CBGD Cc1n[nH]c(C)c1C=NNC(=O)CS(C)(=O)=O 1330144138 VYJCVMROEORIQZ-UHFFFAOYSA-N 258.303 -0.479 50 20 CBGD C[C@H](NC(=O)NNc1ncncc1F)c1nnnn1C 1340439625 MILBVIWHONEGCN-YFKPBYRVSA-N 281.255 -0.474 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCO)c(C)n1 1342608900 XWNBPPLCEYRVJR-UHFFFAOYSA-N 280.284 -0.833 50 20 CBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNc1ncc(Cl)cn1 1528619905 MJHBAGOFZNCEQK-WCBMZHEXSA-N 296.762 -0.039 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@H](C)CC(=O)O 1592391251 FULVCPGDBOZSEL-ZETCQYMHSA-N 273.289 -0.841 50 20 CBGD CCCN(C(=O)c1cc(B(O)O)ccc1F)[C@@H](C)C(=O)O 1595824820 WPQFNODTIXGHRA-QMMMGPOBSA-N 297.091 -0.169 50 20 CBGD CCN(CCO)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1 1596341029 WOUZWWQDGUMRHW-IWSPIJDZSA-N 260.290 -0.790 50 20 CBGD O=C(Cn1cc(C(=O)O)cn1)NNC(=O)NCC1CC1 1601379207 CUWKWPNFWMXRNM-UHFFFAOYSA-N 281.272 -0.678 50 20 CBGD O=C(O)[C@@H]1CCCN1C(=O)c1cccc(B(O)O)c1 1602173943 BOZAIBMJHDSZNV-JTQLQIEISA-N 263.058 -0.944 50 20 CBGD O=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)c1ccccn1 7909922 LDRALLUXRKYQLR-SECBINFHSA-N 297.336 -0.333 50 20 CBGD Cc1cnc(C(=O)NNC(=O)c2cc(C)n[nH]2)cn1 153109758 KQUIEXUSRUVLQQ-UHFFFAOYSA-N 260.257 -0.109 50 20 CBGD Cc1cc(C(=O)NNC(=O)CO)nn1C(C)(C)C 180951217 KRIXXOURTFGIBV-UHFFFAOYSA-N 254.290 -0.300 50 20 CBGD CC(C)NC(=O)CNC(=O)NNC(=O)C(C)(C)C 193331333 BDSSNQAWIXOJHS-UHFFFAOYSA-N 258.322 -0.113 50 20 CBGD CSCCONC(=O)NNC(=O)C(=O)N1CCCC1 280451000 GFUCOCLGZOVLAS-UHFFFAOYSA-N 290.345 -0.766 50 20 CBGD CCOc1ccccc1OCC(=O)NNC(=O)[C@H](C)O 294399958 PFOYQSLJLFDXCF-VIFPVBQESA-N 282.296 -0.008 50 20 CBGD CS[C@H](C)C(=O)NNC(=O)CNC(=O)c1ccco1 299667864 MPPPDIORVFMPDF-SSDOTTSWSA-N 285.325 -0.092 50 20 CBGD N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H](CO)C(N)=O 490944094 VJFYJUGJNHFJQD-NKLKJHRZSA-N 277.255 -0.305 50 20 CBGD CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(C=NNC(=O)C(N)=O)C1 497223849 ZADBJUBEWQARQY-OQPBUACISA-N 296.327 -0.169 50 20 CBGD O=C(NC[C@@H]1CCC[C@@H](O)C1)c1cc(B(O)O)ccc1F 584950263 LGDRZGCFRSCOGN-MWLCHTKSSA-N 295.119 -0.214 50 20 CBGD O=C(NC1(CCO)CCC1)c1ccc(B(O)O)cc1 584967263 HQNDPGXAJWIGOT-UHFFFAOYSA-N 263.102 -0.599 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 584975242 ZPZOVBUBRCKDSZ-OUJBWJOFSA-N 293.103 -0.652 50 20 CBGD CC(C)N1CCN(C(=O)c2ccc(B(O)O)cc2)CC1=O 584991765 GVIUBQCSZYMUDA-UHFFFAOYSA-N 290.128 -0.941 50 20 CBGD CC(C)(CO)CCNC(=O)c1ccc(B(O)O)cc1 584995643 PMGXUYGUELKWIF-UHFFFAOYSA-N 265.118 -0.495 50 20 CBGD O=C(NC[C@H](CO)CC1CC1)c1ccc(B(O)O)cc1 585005361 GIGRWNTWCPSDTM-LLVKDONJSA-N 277.129 -0.495 50 20 CBGD CC(C)(CNCc1ccc(B(O)O)cc1)N1CCOCC1 585014539 VCTSGHASIZANEY-UHFFFAOYSA-N 292.188 -0.433 50 20 CBGD O=c1ccccn1CCCCNCc1ccc(B(O)O)o1 585019079 BBUJHFBULWEZPO-UHFFFAOYSA-N 290.128 -0.309 50 20 CBGD Cc1cc(C)n(C[C@@H](C)NCc2ccc(B(O)O)o2)n1 585021425 VKCGRCFSFFAXDB-SNVBAGLBSA-N 277.133 -0.049 50 20 CBGD C[C@H](NCc1ccccc1B(O)O)c1nnc2n1CCC2 585033252 BXIXUYZFOPWFAO-JTQLQIEISA-N 286.144 -0.245 50 20 CBGD CN1C[C@H](c2nc(-c3ccc(B(O)O)cc3)no2)CC1=O 585050538 CEMGLJUZVDLPQJ-SECBINFHSA-N 287.084 -0.638 50 20 CBGD OB(O)[C@H]1CCN(c2cncc(-n3cccn3)n2)C1 585072500 BIVDKRFRPDIGIY-VIFPVBQESA-N 259.078 -0.285 50 20 CBGD CC(=O)NNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 727847442 AZQXYUQGHKVSNH-UHFFFAOYSA-N 269.261 -0.034 50 20 CBGD CC(C)C(=O)NNC(=O)c1ccc(S(N)(=O)=O)s1 729300282 QGGZDXFNNALJLG-UHFFFAOYSA-N 291.354 -0.188 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 732087172 WSJCVOMOBORZRF-MRVPVSSYSA-N 291.311 -0.510 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)C(=O)N1CCCC1 732279053 GBCSZMXHOUIOJR-UHFFFAOYSA-N 276.296 -0.606 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(NC2CC2)nc1 733359371 FNBJJVPLBPLXFR-UHFFFAOYSA-N 277.328 -0.022 50 20 CBGD Cc1nn(C)c(C)c1C(=NNC(=O)C(N)=O)C(F)(F)F 733902108 LVOFTCYKCHWWHD-UHFFFAOYSA-N 291.233 -0.095 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)nc1 752993297 XFDGCZLDKWMQHH-VIFPVBQESA-N 297.336 -0.414 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC12CCC2 758041022 URBDIIQRCOOLGY-JGVFFNPUSA-N 289.357 -0.738 50 20 CBGD COC(=O)c1ccc(NNC(=O)CNC(C)=O)nc1 759721442 LBOKAPYSYGXAOD-UHFFFAOYSA-N 266.257 -0.553 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1cn(C)c(Cl)n1 769829957 XSDKDOGGVXWHTC-UHFFFAOYSA-N 281.725 -0.414 50 20 CBGD O=C(CC(=O)NNC(=O)NCC1CC1)NCC(F)(F)F 779659332 UQYYNZGATJWYEU-UHFFFAOYSA-N 296.249 -0.205 50 20 CBGD CNC(=O)NN=C1CCCc2nc(O)c(C(N)=O)cc21 788994225 IAAMSTPPAXCVPK-UHFFFAOYSA-N 277.284 -0.145 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)CC1OCCO1 793459087 MUNCBUGKSBHMPL-UHFFFAOYSA-N 296.279 -0.319 50 20 CBGD CCNC(=O)NNC(=O)C(C)(C)N1CCOCC1 801140253 GXADZYPSJUGBDH-UHFFFAOYSA-N 258.322 -0.553 50 20 CBGD CCOC(=O)NNC(=O)CCN1C(=O)CCNC1=S 816829248 HRCOHBNZYGBYCY-UHFFFAOYSA-N 288.329 -0.739 50 20 CBGD COCCN(C)NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 819745313 XEDHQEIHGAKBJB-PHIMTYICSA-N 297.355 -0.229 50 20 CBGD O=C(CN1CCCC1=O)NN=C1CCN(CCO)CC1 819804316 ALGRPTMKBHBSAP-UHFFFAOYSA-N 282.344 -0.831 50 20 CBGD Cc1nnnn1-c1ccc(C(=O)NN(C)[C@H](C)CO)cc1 823912563 IHPGKPDYMKNZKG-SECBINFHSA-N 290.327 -0.072 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H](c1cncn1C)N(C)C 823929444 YLVZQWWLUWUBHG-ONGXEEELSA-N 269.349 -0.633 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 823976187 AOBZPMXEJKUVRA-PTRXPTGYSA-N 287.385 -0.216 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NNC(=O)C1CCCC1 826623361 CZNXCBACLZFDCZ-PSASIEDQSA-N 298.343 -0.037 50 20 CBGD O=C(NNC(=O)[C@H]1CSCCS1)c1ncon1 832825818 IIEWFBMRJXIERN-RXMQYKEDSA-N 274.327 -0.321 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CCc2nnnn2CC1 845077221 VZHWKKQCZKZLTB-MRVPVSSYSA-N 295.372 -0.693 50 20 CBGD CN(C)S(=O)(=O)NCC(=O)NNc1cccc(F)n1 854443245 RZNRDLXCOTUHEZ-UHFFFAOYSA-N 291.308 -0.940 50 20 CBGD O=C(C[C@@H]1CCC(=O)N1)NNC(=O)[C@H]1CCCCO1 854682625 CTIUIRZDSJRHKG-DTWKUNHWSA-N 269.301 -0.628 50 20 CBGD CNC(=S)N(C)NC(=O)c1nc2nc(C)cc(C)n2n1 854927642 FFBMPCOLYZSVTG-UHFFFAOYSA-N 293.356 -0.178 50 20 CBGD CC[C@H](COC)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858240934 VDWNDXWGUIOJGE-HTQZYQBOSA-N 272.305 -0.980 50 20 CBGD COC1([C@H](C)NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCC1 858543031 PFFFVBMZNWMAEN-IUCAKERBSA-N 298.343 -0.447 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2nccs2)N1 860229379 DYGCFGCRFCCJGI-YFKPBYRVSA-N 269.286 -0.426 50 20 CBGD O=C(COCC(F)(F)F)NNC(=O)c1cn[nH]c1 862471279 YNYLZSLENFKLSG-UHFFFAOYSA-N 266.179 -0.250 50 20 CBGD COCCn1cc(C(=O)NN=c2cc[nH]c(C)c2)nn1 862515558 WCQSOWUAUATKIC-UHFFFAOYSA-N 276.300 -0.193 50 20 CBGD CCO/C=C(\C#N)C(=O)NC[C@H](O)CC(=O)OC 863018455 ZOFNLZOFZJRASK-FCZSHJHJSA-N 256.258 -0.529 50 20 CBGD COc1ccc(C=NNC(=O)CS(C)(=O)=O)cc1O 863188525 FWOUAMQPNUGHDR-UHFFFAOYSA-N 286.309 -0.105 50 20 CBGD CN1C(=O)CN(NS(=O)(=O)CC(C)(C)CCl)C1=O 867075648 MDSVHKKAKQLHEM-UHFFFAOYSA-N 297.764 -0.020 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H](O)C1CCCCC1 869905981 HJFCCUWMWCVPQE-GFCCVEGCSA-N 288.344 -0.262 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CCC=CO1 869907896 UDYCTHPDSANMFS-SECBINFHSA-N 258.274 -0.511 50 20 CBGD COCCOCC(=O)NNC(=O)COC1CCCC1 869909156 KUYJVTOQFIPFHN-UHFFFAOYSA-N 274.317 -0.244 50 20 CBGD O=C(N=S1(=O)CCOCC1)c1ccc(B(O)O)cc1 891375088 UYEYZTBMGROGHA-UHFFFAOYSA-N 283.114 -0.995 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCCCC[C@@H]1CO 911948367 VXBUGADUCITDEA-CYBMUJFWSA-N 277.129 -0.257 50 20 CBGD O=C(CCc1ccncc1)NNC(=O)CN1CCCC1=O 920432928 KCVCYRIJLXMAJC-UHFFFAOYSA-N 290.323 -0.216 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCC[C@H](N(C)C)C1 1116204581 KOWYMMBZDIHYFT-IUCAKERBSA-N 286.332 -0.637 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Cc1ccccc1 1116593586 WTOKICBDUYBORH-SECBINFHSA-N 299.352 -0.686 50 20 CBGD O=C(CCO)NNC(=O)C(=O)Nc1ccc(Cl)cc1 1116600641 YYZCUSXTGGDDAA-UHFFFAOYSA-N 285.687 -0.192 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCc1cccc(C)n1 1116872980 OBNKOCGTNDKCRF-UHFFFAOYSA-N 280.284 -0.564 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCc2nccs2)N1 1118860606 PZJBOEWJHCTUNJ-ZETCQYMHSA-N 297.340 -0.705 50 20 CBGD CN1C(=O)CS/C1=C\C(=O)NNc1ccn(C)n1 1119470325 ZYQNQJRBYKUTKF-YHYXMXQVSA-N 267.314 -0.090 50 20 CBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CCCOCC1 1319965747 VYIJYQSVUMJGLK-SNVBAGLBSA-N 298.343 -0.492 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cn1 1320510008 FPCKLNFANYQTCT-UHFFFAOYSA-N 262.269 -0.114 50 20 CBGD Cc1nc(NC(=O)C(=O)NNC(=O)CCO)sc1C 1321131785 WJKCDOQFHYEJIM-UHFFFAOYSA-N 286.313 -0.772 50 20 CBGD C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)C(=O)NC1CC1 1321540219 MIMQMXVWUZFRMN-JGVFFNPUSA-N 281.312 -0.582 50 20 CBGD CO[C@@H](C)CCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1323668552 ZHLMKTNKGCYRGZ-DTWKUNHWSA-N 292.357 -0.616 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1c(C(=O)O)cnn1C 1327662392 MGWRKOJSLRLPPB-YUMQZZPRSA-N 280.284 -0.007 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCn2cncc2C1 1332175001 JFMSHXIHXJUFOM-UWVGGRQHSA-N 252.318 -0.211 50 20 CBGD CN(C)c1ncc(C=NNC(=O)[C@H]2CCC(=O)N2)cn1 1335347300 NIZKBLFERVWQTA-SECBINFHSA-N 276.300 -0.729 50 20 CBGD O=C(C1CCN(C2CC2)CC1)N1CC[C@@H](B(O)O)C1 1335432868 NVXSNUKFHXUHGP-LLVKDONJSA-N 266.150 -0.064 50 20 CBGD CC(C)C#CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1350529705 MAZDKENQRMEZJB-VIFPVBQESA-N 272.326 -0.772 50 20 CBGD O=C([C@@H]1CCCN1C(=O)C1CC1)N1CC[C@H](B(O)O)C1 1351729926 QZNKSSBEOMLVRI-QWRGUYRKSA-N 280.133 -0.537 50 20 CBGD O=C(O)c1cc(NC(=O)c2cc(B(O)O)ccc2F)n[nH]1 1574790185 OIFABDNVSVVGQM-UHFFFAOYSA-N 293.019 -0.821 50 20 CBGD O=C(NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21)[C@H]1CCCNC1 1580732806 JWXHYDPOLFSSBX-SCVMZPAESA-N 265.313 -0.642 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cc(-c2nn[nH]n2)cs1 1590001627 ZBWIXOOEICMIFM-LURJTMIESA-N 282.329 -0.114 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CCCn1ccc(C(=O)O)n1 1593456454 GUQOLEGWUHWQDM-SECBINFHSA-N 284.316 -0.295 50 20 CBGD O=C(NNC(=O)[C@H]1CCCO1)[C@H]1CC[C@@H](C(=O)O)C1 1594782765 KYWPELBXXNLBLD-DJLDLDEBSA-N 270.285 -0.186 50 20 CBGD O=C(O)[C@@H]1C[C@@H](O)CN(S(=O)(=O)CCCCl)C1 1601766954 CGGGQBRXYDJSQF-HTQZYQBOSA-N 285.749 -0.288 50 20 CBGD COc1ccc(CCNC(=O)NNC(=O)C(=O)O)cn1 1607248402 SMHDTEXKBGMJEE-UHFFFAOYSA-N 282.256 -0.952 50 20 CBGD O=C(NNC(=O)c1ccccc1O)C(=O)NC1CC1 48390981 ITDCNGATADYTBZ-UHFFFAOYSA-N 263.253 -0.568 50 20 CBGD O=C(NCCn1cccc1)NNC(=O)C(=O)N1CCCC1 84457943 FMCLUUFQDIFNLG-UHFFFAOYSA-N 293.327 -0.559 50 20 CBGD CC(C)(NCC(=O)NNC(=O)c1cccs1)C(=O)O 87626011 SPMWGRPOZSPDIK-UHFFFAOYSA-N 285.325 -0.038 50 20 CBGD CN(CC(=O)NC1CC1)S(=O)(=O)CBr 126655482 QUCPKNGEUYPSHR-UHFFFAOYSA-N 285.163 -0.121 50 20 CBGD COc1cccc(NNC(=O)Cn2cc([C@H](C)O)nn2)n1 273065255 ZAGJBLQYDMYEDZ-QMMMGPOBSA-N 292.299 -0.122 50 20 CBGD CC(=O)NNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 298193468 JZGJSSNKUIALOR-XCBNKYQSSA-N 257.315 -0.392 50 20 CBGD CCN1CC[C@@H](NC(=O)c2ccc(B(O)O)cc2)C[C@H]1C 584952388 UDMNXTZABYRYNN-BXUZGUMPSA-N 290.172 -0.031 50 20 CBGD C[C@H]1CC[C@@H](CO)CN1C(=O)c1ccc(B(O)O)c(F)c1 584967849 NPMDJUVEKMBNIH-VHSXEESVSA-N 295.119 -0.262 50 20 CBGD CC[C@@](NC(=O)c1cccc(B(O)O)c1)(C(N)=O)C1CC1 584974996 CYUPBZCOFXUQSH-AWEZNQCLSA-N 290.128 -0.860 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O 584987008 QGJSIFRXZBNSPN-IKOPJOCTSA-N 287.124 -0.792 50 20 CBGD C[C@@H]([C@@H](C)NCc1ccc(B(O)O)cc1F)n1cncn1 585020438 XGSCOLYTASKDHQ-ZJUUUORDSA-N 292.123 -0.164 50 20 CBGD C[C@H]1CN([C@H](C)CNCc2ccc(B(O)O)o2)C[C@@H](C)O1 585045055 AIOITGBMONZUGD-UTUOFQBUSA-N 296.176 -0.453 50 20 CBGD C[C@@H]1C[C@@H](CNCc2ccc(B(O)O)o2)[C@@H](C)O1 585046318 PSPNUUIGWBJAHB-BBBLOLIVSA-N 253.107 -0.138 50 20 CBGD COc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)CN(C)C 727761448 GDDCFEGZVUXNLP-UHFFFAOYSA-N 296.283 -0.074 50 20 CBGD CCOC(=O)/C(C#N)=C/N[C@@H]1CCS(=O)(=O)C1 730943025 RBBYMGGTGRHNGS-BNICOGTQSA-N 258.299 -0.266 50 20 CBGD CNC(=O)CCN(C)[C@H](C)C(=O)NNC(=O)CC(C)C 732199323 KDGHWGARPUMPSY-SNVBAGLBSA-N 286.376 -0.364 50 20 CBGD C[C@@H](NC(=O)C1CCCC1)C(=O)NNC(=O)CN(C)C 733359745 ZWGRHUIJOLNGNE-SECBINFHSA-N 284.360 -0.610 50 20 CBGD CCOC(=O)/C(C#N)=C\NNC(=O)c1cnn(C)c1 735462934 YVGLWBQPYJNIGO-YVMONPNESA-N 263.257 -0.375 50 20 CBGD COCCOCCNC(=O)NNC(=O)Cc1ccncc1 747502687 YIQYQFAKWKBWAY-UHFFFAOYSA-N 296.327 -0.383 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)o1 752777748 QDQBASHGMJQSTC-UHFFFAOYSA-N 260.271 -0.606 50 20 CBGD COc1cccc2c1OCC(C(=O)NNC(=O)CO)=C2 753439152 KOIQKXFHZZTMAG-UHFFFAOYSA-N 278.264 -0.389 50 20 CBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)C(C)C)co1 755406345 KRXSRRIPJLUYOG-UHFFFAOYSA-N 289.313 -0.395 50 20 CBGD CCC(C)(C)CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758031625 XBXXQOADEADMTI-MRVPVSSYSA-N 293.389 -0.102 50 20 CBGD CN(NC(=O)c1ccc(-n2cnnc2)cc1)C(N)=O 770533275 LJDSRWVQENJSIX-UHFFFAOYSA-N 260.257 -0.077 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)CC(=O)OC 772183732 BQPKVJPZLDCYJY-JGVFFNPUSA-N 288.300 -0.325 50 20 CBGD CCCn1cc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC)nn1 772234105 DNASLRBXYGEVEH-QMMMGPOBSA-N 297.315 -0.209 50 20 CBGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)NC2CC2)C1 773058563 JAHYJFDZALOAER-QMMMGPOBSA-N 268.317 -0.262 50 20 CBGD C[C@@H]1CCN(S(=O)(=O)NNC(=O)c2cccn2C)C1 777913706 YRCDBNMPXGKFET-SECBINFHSA-N 286.357 -0.154 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN[C@@H]1CCCC[C@@H]1C(N)=O 782540617 XEYDVOVYMWWRBB-VHSXEESVSA-N 298.387 -0.186 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](O)C(C)(C)C1 790449833 JRVAXRCBJUDENZ-DTWKUNHWSA-N 257.334 -0.365 50 20 CBGD CCC(=O)NNS(=O)(=O)C[C@H]1CCCOC1 795280493 IXTNTVOXZHFLDL-QMMMGPOBSA-N 250.320 -0.226 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cc([N+](=O)[O-])n[nH]1 796210181 ONOCAOWBRUMXEY-UHFFFAOYSA-N 279.216 -0.955 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](C)O[C@@]2(CCOC2)C1 796556311 PPINNRVZJVYVJD-SUNKGSAMSA-N 299.371 -0.188 50 20 CBGD O=C(NNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccoc1 801614567 YAUSWLWZDBSCBP-UHFFFAOYSA-N 265.185 -0.014 50 20 CBGD CCC(=O)N[C@@H](CCSC)C(=O)NN(CC)CCO 823852501 JAGANXPNHXKTHQ-JTQLQIEISA-N 291.417 -0.020 50 20 CBGD CC(=NNC(=O)CO)c1ccc(-c2nn[nH]n2)c(F)c1 823948132 DMBVAFFLGIJRQF-UHFFFAOYSA-N 278.247 -0.162 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)C[C@H]2CCC(=O)N2)cc1 824693406 GEPBYXVMMHCOFI-LLVKDONJSA-N 286.291 -0.012 50 20 CBGD CNCCNC(=O)NNC(=O)Cc1ccccc1F 841935104 PNYNODMWTSUSAT-UHFFFAOYSA-N 268.292 -0.082 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@H]1CCOC1 843654113 ZDQNPQPELKENLM-IVZWLZJFSA-N 256.302 -0.015 50 20 CBGD CC(=O)c1cn(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)nn1 843663201 XBJTWSBDEZOQIK-RKDXNWHRSA-N 295.299 -0.947 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H](O)c1cnn(C)c1 843971701 RIIUHMNXKDAJHH-SFGNSQDASA-N 282.300 -0.974 50 20 CBGD COC(=O)C[C@@H](C)CC(=O)NNC(=O)C(C)(C)O 847856377 MJGUSMWESNRROO-ZETCQYMHSA-N 260.290 -0.506 50 20 CBGD Cn1c(N)nnc1SCC(=O)NNC(=O)C(C)(C)C 848428625 FNAWQNQKDHGOCK-UHFFFAOYSA-N 286.361 -0.317 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2nccn2C1)c1cc[nH]n1 855356070 LDBFAMJMPIFRTF-MRVPVSSYSA-N 274.284 -0.370 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCc2nn[nH]c21)c1cc[nH]n1 855356139 MBSKIYVJYHFGCO-ZCFIWIBFSA-N 275.272 -0.591 50 20 CBGD C[C@H]1CCN(CC(=O)NNC(=O)C2CC2)C[C@@H]1CO 856795162 BLEPGUBHYFFSED-GXSJLCMTSA-N 269.345 -0.506 50 20 CBGD O=C(NNc1ccncn1)[C@@H]1COCCN1CC(F)F 857520684 IXWBASWOXUFJKN-QMMMGPOBSA-N 287.270 -0.114 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC[C@H]3C[C@@H]3C2)N1 858703477 YCBCIBPGXLLSSM-DJLDLDEBSA-N 266.301 -0.652 50 20 CBGD CON(C)C(=O)[C@@H](C)NC(=O)NNC(=O)c1ccc(C)o1 858990883 ORTPZGUWSWLAHV-MRVPVSSYSA-N 298.299 -0.060 50 20 CBGD CO[C@H]1CCC[C@H](C(=O)NNC(=O)CS(C)(=O)=O)C1 863465555 GONISWIGECAXHB-IUCAKERBSA-N 292.357 -0.616 50 20 CBGD C#CCCN(CCOC)C(=O)c1cc(B(O)O)ccc1F 863885916 QEEYYMVAWMCKJY-UHFFFAOYSA-N 293.103 -0.383 50 20 CBGD COC(=O)N(C)CCNCc1ccc(B(O)O)cc1 863892252 QPRVVYCVCRYYFD-UHFFFAOYSA-N 266.106 -0.846 50 20 CBGD COCCOCC(=O)NN=C1CCN2CCC[C@@H]12 872401269 NDADVYVJJRFQOC-NSHDSACASA-N 255.318 -0.010 50 20 CBGD C[C@]1(C(=O)NNC(=O)C2CCCC2)CCNC1=O 873991025 HQDSLWPAWLUYPR-LBPRGKRZSA-N 253.302 -0.150 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC[C@H](CF)C2)N1 883737910 MWKPAHNTYOKEOE-RKDXNWHRSA-N 286.307 -0.313 50 20 CBGD C[C@]1(C(=O)NC[C@H](O)C(N)=O)C[C@@H]1Br 907780939 JJTBWBOOGFVUHX-YQJDLUKNSA-N 265.107 -0.878 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H](C)n1nnnc1C(C)(C)C 910154568 DGKDYIPRCCYSEJ-DTWKUNHWSA-N 284.364 -0.125 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H](C)OC[C@H]1CCCO1 910168828 RFURULZXKMYUFL-GARJFASQSA-N 260.334 -0.086 50 20 CBGD CC(C)C(=O)NNC(=O)CNC(=O)c1ccncc1 914881993 PJTYJXKKXZTKHD-UHFFFAOYSA-N 264.285 -0.385 50 20 CBGD O=C(Cn1ccc([N+](=O)[O-])n1)NNC(=O)c1ccc[nH]1 916731875 VTHLSEDJLZYTTP-UHFFFAOYSA-N 278.228 -0.419 50 20 CBGD CC(C)CC(=O)NNC(=O)NC[C@H]1COCCO1 918108464 JMDKMHUZSHYONI-VIFPVBQESA-N 259.306 -0.222 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cc(C(N)=O)ccc1C 1116604980 ZVWAXIYVVXSYMA-UHFFFAOYSA-N 294.267 -0.580 50 20 CBGD O=C(C[C@H]1COC(=O)C1)NNC(=O)N=c1cc[nH]cc1 1116947260 CCYFNQBOWBCGHP-MRVPVSSYSA-N 278.268 -0.391 50 20 CBGD CN1CC(=O)N(CCCC(=O)NNC(=O)NC2CC2)C1=O 1251275950 SMWXJBYVFFRYGL-UHFFFAOYSA-N 297.315 -0.847 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@]1(F)CCOC1 1261217314 GZDHVAKRUAYGNL-LBPRGKRZSA-N 289.307 -0.433 50 20 CBGD CCN1CCC(NC(=O)NNC(=O)c2cn[nH]c2)CC1 1261789421 DALMCDJKFRCJDY-UHFFFAOYSA-N 280.332 -0.162 50 20 CBGD NC(=O)c1ccc(NNC(=O)c2nccs2)nn1 1320837690 JGTVISWIVUNQCO-UHFFFAOYSA-N 264.270 -0.211 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)CC[S@@](=O)C1 1324629398 NYRDBQYHHGBKMI-ZRNGKTOUSA-N 287.385 -0.756 50 20 CBGD Cc1cc(=NNC(=O)c2cnn(C[C@@H](O)CO)c2)cc[nH]1 1329079386 XHTWMQILLYTARP-GFCCVEGCSA-N 291.311 -0.881 50 20 CBGD CO[C@@H](C)CN(C)C(=O)NNC(=O)c1cccnn1 1333608480 QUYCIOSLDQGGFV-QMMMGPOBSA-N 267.289 -0.202 50 20 CBGD Cc1nnc2n1C[C@H](C(=O)NNC(=O)C(C)(C)O)CC2 1339157616 BSFUQHIOGWQPAL-MRVPVSSYSA-N 281.316 -0.933 50 20 CBGD Cn1cc(C(=O)NNC(=O)C(=O)C(C)(C)C)cn1 1339189586 HTBIFYRXTGBWRC-UHFFFAOYSA-N 252.274 -0.204 50 20 CBGD C[C@H]1C[C@H]1C(=O)NNC(=O)C(=O)Nc1ccccn1 1340295681 YOJUWFOZQDSFTJ-JGVFFNPUSA-N 262.269 -0.177 50 20 CBGD NC(=O)c1ccc(C(=O)NNc2nc[nH]n2)s1 1343972719 LQUPFCODKXVTTP-UHFFFAOYSA-N 252.259 -0.278 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)C[C@H]1CCC(=O)N1 1347616870 LUMZUWAZVNDICE-SNVBAGLBSA-N 276.296 -0.560 50 20 CBGD C[C@H](NNC(=O)CCCN1C(=O)CNC1=O)C(F)(F)F 1348383007 GXXGNEPIYLNPSZ-LURJTMIESA-N 296.249 -0.110 50 20 CBGD CC(=O)NNC(=O)c1oc(S(N)(=O)=O)cc1C 1350525354 OWZQYUHHNWRKDA-UHFFFAOYSA-N 261.259 -0.984 50 20 CBGD C=C(CCC(=O)OC)C(=O)NNC(=O)NC1CCNCC1 1574850497 ZNHJLLZQHJZDMS-UHFFFAOYSA-N 298.343 -0.422 50 20 CBGD CC(C)CC(=O)NNC(=O)CN1CCC[C@H](C(=O)O)C1=O 1591111855 VISDZVPJUZAZRL-VIFPVBQESA-N 299.327 -0.497 50 20 CBGD C[C@@H](O)CN(C)NC(=O)Cc1cccc(-c2nn[nH]n2)c1 1603699567 OBMGMVBSNPSIMQ-SECBINFHSA-N 290.327 -0.247 50 20 CBGD O=C(O)c1cc(C(=O)NNC(=O)C2CCOCC2)[nH]n1 1605815723 STZBQVZYESHIDQ-UHFFFAOYSA-N 282.256 -0.705 50 20 CBGD CN(C)C(=O)NCCNS(=O)(=O)CBr 133479387 NVFZXRBDWCUCDY-UHFFFAOYSA-N 288.167 -0.471 50 20 CBGD CC(C)[C@H](NS(=O)(=O)CBr)C(N)=O 220125478 JTMAZRGXUFVUHX-YFKPBYRVSA-N 273.152 -0.232 50 20 CBGD CNC(=O)NNC(=O)CN(C)C(=O)OC(C)(C)C 264451107 PNJGFFZRTCIVTD-UHFFFAOYSA-N 260.294 -0.187 50 20 CBGD CC[C@@H](C)OCC(=O)NNc1ccc(C(N)=O)nn1 269804926 ANYMPFHOXRUGOT-SSDOTTSWSA-N 267.289 -0.166 50 20 CBGD CC(C)(O)C(=O)NNC(=O)COc1ccc(C#N)cc1 276254808 MPRZSFJPRZQHJL-UHFFFAOYSA-N 277.280 -0.145 50 20 CBGD C[C@H](O)C[C@H]1CCCN1C(=O)c1cccc(B(O)O)c1 584966078 VYIGTYHBCRDZKD-GXFFZTMASA-N 277.129 -0.258 50 20 CBGD CCCCCN(CCO)C(=O)c1cccc(B(O)O)c1 584967698 ZAVKSLLMRHCANG-UHFFFAOYSA-N 279.145 -0.009 50 20 CBGD O=C(NC1(CO)CCSCC1)c1ccc(B(O)O)cc1 585000057 ZGQFDIMIMUGZJZ-UHFFFAOYSA-N 295.169 -0.646 50 20 CBGD CCOC[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)CCO1 585009794 CYFRRGMSPWAIMZ-ZDUSSCGKSA-N 293.128 -0.756 50 20 CBGD OB(O)c1cccc(CNC[C@H]2CCN(C3CC3)C2)c1 585018366 VMHMJYDAWVNNGU-CYBMUJFWSA-N 274.173 -0.060 50 20 CBGD CC(C)C[C@@H](O)CNCc1ccccc1B(O)O 585024758 BZUDFFCHMUZBSK-GFCCVEGCSA-N 251.135 -0.137 50 20 CBGD OB(O)c1cccc(CNCCCOC[C@@H]2CCOC2)c1 585024860 FOGOHSRQXKZAMB-AWEZNQCLSA-N 293.172 -0.101 50 20 CBGD CC[C@@H](CCO)CNCc1ccccc1B(O)O 585028728 PMTXBALXWQEFOH-NSHDSACASA-N 251.135 -0.135 50 20 CBGD CC(C)C(=O)NCCCNCc1cccc(B(O)O)c1 585031824 KQQYVVXURFVDJK-UHFFFAOYSA-N 278.161 -0.382 50 20 CBGD CO[C@]1(CNCc2ccccc2B(O)O)CCOC1 585036355 ICOWMXJACPKEBK-ZDUSSCGKSA-N 265.118 -0.739 50 20 CBGD CC[C@H]1CN(CCNCc2cccc(B(O)O)c2)CCO1 585039264 QZMOZYVFBUIWCL-HNNXBMFYSA-N 292.188 -0.433 50 20 CBGD CN1CCN(C)[C@H](CNC(=O)NNC(=O)C2CCCC2)C1 732475167 WOHXXHAFNCQVMP-GFCCVEGCSA-N 297.403 -0.247 50 20 CBGD COc1ccnc(NNC(=O)CN(C)C(=O)C2CC2)n1 733132290 KIJBLWXFQKDLLV-UHFFFAOYSA-N 279.300 -0.203 50 20 CBGD CN(CC(=O)NNC(=O)C1CCC1)C(=O)C1CC1 733155772 RZDRKQBOJRMLLO-UHFFFAOYSA-N 253.302 -0.198 50 20 CBGD Cn1nnnc1SCC(=O)NNC(=O)C(C)(C)C 742447360 HIFLCWWSERRWQP-UHFFFAOYSA-N 272.334 -0.504 50 20 CBGD CCNC(=O)N(C)NC(=O)CS(=O)(=O)N(CC)CC 753434752 PBWKCJYOEFGZBF-UHFFFAOYSA-N 294.377 -0.650 50 20 CBGD CC(C)NC(=O)C(=O)NN=Cc1cc(C(N)=O)cs1 755891811 HEZLXNBZDCUJFB-UHFFFAOYSA-N 282.325 -0.178 50 20 CBGD CC(=O)c1ccc(C(=O)NNC(=O)CN(C)C)o1 774003652 ZJRAKOLYBAOHEA-UHFFFAOYSA-N 253.258 -0.195 50 20 CBGD COc1cc(C=NNC(=O)CO)cc(OC)c1O 776783646 RXROUURTLUJHTF-UHFFFAOYSA-N 254.242 -0.148 50 20 CBGD C[C@H](CO)N(C)CC(=O)NNC(=O)c1cccc(C#N)c1 792931349 RNRQNFOKBCBRTO-SNVBAGLBSA-N 290.323 -0.368 50 20 CBGD CC[C@@](C)(C#N)C(=O)NNc1ccc(C(N)=O)nn1 807046401 WDFBQXRSZZVLJK-NSHDSACASA-N 262.273 -0.042 50 20 CBGD C=C[C@H](O)C(=O)OCC(=O)NNC(=O)c1ccccc1 814544666 NDMXMAUWDZOIOJ-JTQLQIEISA-N 278.264 -0.462 50 20 CBGD CC[C@H](C(=O)NN(C)[C@H](C)CO)N1CCCC1=O 823951668 MGLYDRPZPIZOMU-NXEZZACHSA-N 257.334 -0.269 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCn1ccccc1=O 843641739 CNNUGEJPPSTWLR-MNOVXSKESA-N 293.323 -0.189 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2cncn2C1)c1cn[nH]c1 862469296 FTKBUSBTOVTLJR-QMMMGPOBSA-N 274.284 -0.370 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C1=CCCCC1 863464992 OFNRYXLEPWIBET-UHFFFAOYSA-N 260.315 -0.321 50 20 CBGD CC1(CCNC(=O)c2cccc(B(O)O)c2)OCCO1 863878488 GOYSEGVAUKHKKC-UHFFFAOYSA-N 279.101 -0.751 50 20 CBGD COC1CC(C(=O)NNc2ccc(C(N)=O)nn2)C1 863895266 JQERCDOAVHDHPU-UHFFFAOYSA-N 265.273 -0.556 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H](C)c1ccccn1 869905076 JRXOHUUZQWWUTJ-SNVBAGLBSA-N 281.312 -0.005 50 20 CBGD COCCOCC(=O)NN=Cc1cnc(C)n1C 872400240 QCWIBRLPJWTENT-UHFFFAOYSA-N 254.290 -0.158 50 20 CBGD CC[C@H](OC)C(=O)NNC(=O)CN1CCCC1=O 913730775 ISBZZYWZMCOGGU-QMMMGPOBSA-N 257.290 -0.819 50 20 CBGD CCC(CC)(CO)C(=O)NNC(=O)CN1CCCC1=O 913733731 UIVRQZRRMMQSDN-UHFFFAOYSA-N 285.344 -0.445 50 20 CBGD O=C(NNC(=O)N1CCC[C@@H]2COC[C@@H]21)c1cn[nH]c1 1118811454 YETPBNIOJAAKKT-SCZZXKLOSA-N 279.300 -0.125 50 20 CBGD Cc1nn(C)c(C)c1C=NNC(=O)CS(C)(=O)=O 1261832836 CJPVUHVWFFKINA-UHFFFAOYSA-N 272.330 -0.468 50 20 CBGD CNC(=O)NNC(=O)c1cnc2sc(C)cn2c1=O 1320008654 IMVUYZOYZVAFRL-UHFFFAOYSA-N 281.297 -0.362 50 20 CBGD COc1ccnc(NNC(=O)C[C@H]2COC(=O)C2)n1 1322668214 RXUJHGVCSDMYQG-SSDOTTSWSA-N 266.257 -0.119 50 20 CBGD O=C(CC1CC1)NNC(=O)c1cnn2c(=O)cc[nH]c12 1324386640 IJQQJVNGKVDGCD-UHFFFAOYSA-N 275.268 -0.416 50 20 CBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)Cc1cccnc1 1326743911 PCWAKQQAYQGLDE-NXEZZACHSA-N 276.296 -0.717 50 20 CBGD CNC[C@@H](C)NC(=O)NNC(=O)N=c1cc[nH]cc1 1327471538 JQVZHHCORMSJPW-MRVPVSSYSA-N 266.305 -0.553 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1coc(C)n1 1329556522 HGXPYZLXFHXNPU-UHFFFAOYSA-N 259.287 -0.132 50 20 CBGD O=C(CO)NNC(=O)CCCOC1CCOCC1 1331143404 MQIRQYHHUVPSSJ-UHFFFAOYSA-N 260.290 -0.898 50 20 CBGD O=C(NC1CC1)C1(C(=O)N2CC[C@@H](B(O)O)C2)CC1 1331825321 AJZJCGSMFVNTDV-MRVPVSSYSA-N 266.106 -0.880 50 20 CBGD COCCOCC(=O)NNC(=O)C(=O)c1cccn1C 1332169738 DOXSLKKAKIXRDG-UHFFFAOYSA-N 283.284 -0.982 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)C12CCCN1CCC2 1347768913 CMEITLVMFAJXNT-UHFFFAOYSA-N 277.328 -0.272 50 20 CBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)c1ccccn1 1350786811 UDALRJRDQAUUDL-PWSUYJOCSA-N 289.339 -0.769 50 20 CBGD COC(=O)[C@H]1C[C@@H](C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1 1358353046 GTOUPAAWEPZZHM-IMSYWVGJSA-N 284.312 -0.242 50 20 CBGD C=CCNC(=S)NNC(=O)C1=NO[C@]2(CCNC2)C1 1574943145 LGGZKKHRMGLZIE-LLVKDONJSA-N 283.357 -0.824 50 20 CBGD C[C@H]1[C@@H](NCc2cccc(B(O)O)c2)C[C@H]2CC[C@H]1N2 1576588159 QWTIQMVENVDFRZ-QZKOUSHUSA-N 274.173 -0.015 50 20 CBGD CS(=O)(=O)c1ccc(F)c(CNC(=O)NN)c1 1579349969 IMPQVTYKUOXWLP-UHFFFAOYSA-N 261.278 -0.098 50 20 CBGD O=C(NNC(=O)C12CCC(CC1)N2)c1cccnn1 1580733246 QJGMUIROAZFCRG-UHFFFAOYSA-N 261.285 -0.478 50 20 CBGD O=C1CCc2cc(C(=O)NNC(=O)[C@@H]3CCN3)ccc2N1 1580846235 HDVFFRYVDHIDPN-NSHDSACASA-N 288.307 -0.306 50 20 CBGD CC(=O)Nc1ccccc1CNC(=O)NNC(=O)C(=O)O 1589217952 PHVPVDOANSSIQF-UHFFFAOYSA-N 294.267 -0.440 50 20 CBGD Cc1oc(-c2nn[nH]n2)cc1C(=O)NN(C)C[C@H](C)O 1592500386 FKKRQFDEJMGCQG-LURJTMIESA-N 280.288 -0.274 50 20 CBGD O=C(NCC1CC1)NNC(=O)c1ccc(-c2nn[nH]n2)o1 1593027483 GYQFBJUSQWXAGI-UHFFFAOYSA-N 291.271 -0.186 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)COCC(=O)O)cc1 1594375899 ZUJUQAAZWLMEFF-UHFFFAOYSA-N 296.279 -0.378 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](C(=O)O)C1 1594712207 AURFSJAZSACQKY-IWSPIJDZSA-N 271.317 -0.415 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)NCC1(C(=O)O)CC1 1601370349 YJQDBBCDZULBNE-UHFFFAOYSA-N 292.295 -0.181 50 20 CBGD COCC(=O)NNC(=O)Nc1cccnc1C(=O)O 1604505319 VXLZBGQNRUEZIT-UHFFFAOYSA-N 268.229 -0.421 50 20 CBGD O=C(CCO)NNC(=O)Nc1cc(C(=O)O)ccn1 1605681923 INYQHVHOSRODFA-UHFFFAOYSA-N 268.229 -0.685 50 20 CBGD NCC(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1 1843363133 RDJFGBGNTRPANT-MRVPVSSYSA-N 263.700 -0.317 50 20 CBGD CNC(=O)NNC(=O)CNc1ccccc1[N+](=O)[O-] 49425226 NEQZSNOKQBKPAN-UHFFFAOYSA-N 267.245 -0.033 50 20 CBGD CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 255949207 IVBXTOKRCIJRLZ-NSHDSACASA-N 290.323 -0.208 50 20 CBGD CN(C)c1ccnc(C(=O)NNC(=O)N2CCOCC2)c1 275893897 STZUOJMHGPVRNV-UHFFFAOYSA-N 293.327 -0.166 50 20 CBGD CC(=O)NNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 298193466 JZGJSSNKUIALOR-OIBJUYFYSA-N 257.315 -0.392 50 20 CBGD C[C@H](O)CN(CCO)S(=O)(=O)CBr 379367991 NFNVIIPWLBEDEH-LURJTMIESA-N 276.152 -0.656 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H](NS(C)(=O)=O)C(C)C 497287686 CGFCICCRALDWMW-ZETCQYMHSA-N 281.334 -0.710 50 20 CBGD C[C@H]1CN(C)[C@H](C)CN1C(=O)c1cc(B(O)O)ccc1F 584968741 DIQXTQGCNMMZLZ-ZJUUUORDSA-N 294.135 -0.330 50 20 CBGD CC[C@](C)(CCO)NC(=O)c1ccc(B(O)O)cc1 584971035 JSDXMLXQMDOHNB-CYBMUJFWSA-N 265.118 -0.353 50 20 CBGD CC[C@@H](C)C[C@H](CO)NC(=O)c1cccc(B(O)O)c1 585003246 IVHLMXQLXXUMKQ-ZWNOBZJWSA-N 279.145 -0.107 50 20 CBGD O=C(CC1CCCC1)NCCNCc1ccc(B(O)O)o1 585020610 DBBJPRMDCBVZTD-UHFFFAOYSA-N 294.160 -0.255 50 20 CBGD CC(C)(C)N1C[C@H](NCc2ccc(B(O)O)cc2)CC1=O 585025807 DESDDOPZSIBISP-CYBMUJFWSA-N 290.172 -0.145 50 20 CBGD CN1CC[C@@H](c2nc(-c3ccc(B(O)O)cc3)no2)C1=O 585054943 OMOHOUYOMRXVHX-JTQLQIEISA-N 287.084 -0.638 50 20 CBGD CC(=O)c1cccc(OCC(=O)NCB(O)O)c1 585058226 BVWNXZPUZRFYNF-UHFFFAOYSA-N 251.047 -0.604 50 20 CBGD C[C@@H](CS(C)(=O)=O)NC(=O)NNC(=O)C(C)(C)C 733662885 QLCPHYRUNXNCLA-ZETCQYMHSA-N 279.362 -0.204 50 20 CBGD CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)N1CCOCC1 745985931 DCTAFNYCIRJKMP-DTWKUNHWSA-N 257.290 -0.516 50 20 CBGD CNC(=O)NNC(=O)CSc1nnc(S)s1 747365739 PREBFMLKVKALIY-UHFFFAOYSA-N 279.372 -0.121 50 20 CBGD O=C(NCCCn1ccnc1)NNC(=O)[C@@H]1CCOC1 748718887 RMHUUBLUBPQOAI-SNVBAGLBSA-N 281.316 -0.360 50 20 CBGD Cc1nccc(C(=O)NNC(=O)Cc2cc[nH]n2)n1 755276997 OJTAKJQQMGWSQL-UHFFFAOYSA-N 260.257 -0.488 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)nc1 755290493 PRSMSHORFRIITG-UHFFFAOYSA-N 270.252 -0.320 50 20 CBGD O=C(CO)NNC(=O)Nc1cnn(CC(F)(F)F)c1 756648793 KLJLJWNGYFZSDM-UHFFFAOYSA-N 281.194 -0.410 50 20 CBGD CN(CC(=O)NNC(=O)c1ccccc1)C1CC(O)C1 759873298 JXZYNBKJFRAMBD-UHFFFAOYSA-N 277.324 -0.097 50 20 CBGD CCOc1cnc(C(=O)NNC(=O)C(C)(C)O)cn1 768259574 IUMTYKUWYYLGIE-UHFFFAOYSA-N 268.273 -0.593 50 20 CBGD COc1ccc(NNC(=O)CCNC(N)=O)nc1 781522344 RXNIWPWXPCAQIB-UHFFFAOYSA-N 253.262 -0.408 50 20 CBGD Nc1ncc(C=NNC(=O)N2CCOCC2)cn1 781588183 PHYUXXXIBNXXOL-UHFFFAOYSA-N 250.262 -0.566 50 20 CBGD CN1CCN(C(=O)NN=Cc2cnn(C)c2)CC1 790174260 QIZNGKXQKWCTGC-UHFFFAOYSA-N 250.306 -0.289 50 20 CBGD CO[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)C1CC1 792145915 RGTXAGUGRJULAX-JTQLQIEISA-N 252.274 -0.475 50 20 CBGD C=CCNC(=S)NNC(=O)C1(C(=O)NC2CC2)CC1 798304720 IYAFQGCRUKSSTG-UHFFFAOYSA-N 282.369 -0.274 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCN(C)CC1 807381200 IJVUWDARIUPGSX-UWVGGRQHSA-N 270.333 -0.600 50 20 CBGD COc1ccn2c(C(=O)NNC(=O)C(C)(C)O)cnc2c1 819507909 DSRMUPVCTPXMSO-UHFFFAOYSA-N 292.295 -0.125 50 20 CBGD CCc1cc(C(=O)NNC(=O)N2CCN(C)CC2)n(C)n1 822765293 YFBOTDAGPBEHRP-UHFFFAOYSA-N 294.359 -0.416 50 20 CBGD C#CCN(C)CCCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 826867236 JKVFOPFXJYSTHJ-RYUDHWBXSA-N 296.371 -0.303 50 20 CBGD CC(C)N1CCC[C@@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 827015371 IHSKHDAZQXUQNK-NXEZZACHSA-N 282.344 -0.715 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@@H]2CCCN2C=O)nc1 831285528 NCEQETMQPBSRDZ-JTQLQIEISA-N 292.295 -0.068 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC(=O)N[C@H](C)C1 831763194 MAMXOHLVBWYKHS-NXEZZACHSA-N 284.360 -0.611 50 20 CBGD COC(=O)NC(C)(C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843650224 ABHWHBPRFMYKCU-YUMQZZPRSA-N 287.316 -0.307 50 20 CBGD CC(C)C[C@H](C(N)=O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843967155 NJJHWMVZQMQFJA-OPRDCNLKSA-N 285.344 -0.294 50 20 CBGD Cc1noc([C@H](C)N(C)CC(=O)NNC(=O)C2CC2)n1 847060314 YPTFCPBEMZGLOY-ZETCQYMHSA-N 281.316 -0.072 50 20 CBGD COc1cc(CCC(=O)NNC(=O)c2cc[nH]n2)on1 855354848 KMDXDJJIPYDDIH-UHFFFAOYSA-N 279.256 -0.200 50 20 CBGD C=CCCCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858366518 GGAABMAMLLGRHO-SECBINFHSA-N 268.317 -0.048 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)nn1C(C)C 862462869 ZOHXCLDWFAOXHV-SECBINFHSA-N 293.327 -0.188 50 20 CBGD CN(C)c1ncc(C=NNC(=O)[C@@H]2CCC(=O)N2)s1 863148167 VKOWJUOHEPJPFP-QMMMGPOBSA-N 281.341 -0.062 50 20 CBGD O=C(CNC(=O)c1cc(B(O)O)ccc1F)OCC1CC1 863871783 BJQBFXRULNLJJM-UHFFFAOYSA-N 295.075 -0.812 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H](C)CS(C)(=O)=O 887144618 UCTMENAXOXBPJY-VIFPVBQESA-N 274.342 -0.382 50 20 CBGD C[C@]1(C(=O)NCCn2ncnn2)C[C@H]1Br 906993209 AVUYPLKPGKEBCD-SVRRBLITSA-N 274.122 -0.037 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ncccc1S(C)(=O)=O 910147188 QPAQYBDVCVJVPF-QMMMGPOBSA-N 287.341 -0.558 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)C1=COCC1 913731120 UYNGVZJJYZXSLP-UHFFFAOYSA-N 253.258 -0.940 50 20 CBGD C[C@@]1(C(=O)NNC(=O)CN2CCCC2=O)CCOC1 913731982 CVTWJAHGPHLGDH-GFCCVEGCSA-N 269.301 -0.817 50 20 CBGD CC(=O)NNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 920430385 MHBSJRDDIULDOX-PHDIDXHHSA-N 267.207 -0.389 50 20 CBGD O=C1CSC[C@@H](C(=O)NNC(=O)C2CCCC2)N1 930134245 QKZLAVAJXIBJGU-QMMMGPOBSA-N 271.342 -0.444 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)Nc1cccnc1 1261460995 VHVLUFPHOAYXGI-PSASIEDQSA-N 292.295 -0.408 50 20 CBGD C=C[C@@](C)(O)C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1261759857 SPVBXJHAZPFAFB-CYBMUJFWSA-N 278.312 -0.014 50 20 CBGD CN1CC[C@@H]1CNC(=O)NNC(=O)c1ncccn1 1263142500 BYTGMLHEFCNZEJ-MRVPVSSYSA-N 264.289 -0.875 50 20 CBGD CN(NC(=O)c1csc(S(C)(=O)=O)c1)C(N)=O 1320843133 NPENEEWEJDRAEQ-UHFFFAOYSA-N 277.327 -0.193 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@H]1CCC[C@@H](F)C1 1325988057 FRMSQQKEJMIGRB-APPZFPTMSA-N 286.307 -0.124 50 20 CBGD CCCn1nccc1C(=O)NNC(=O)C(=O)NC(C)C 1327760429 GYICBCKCRFQZEB-UHFFFAOYSA-N 281.316 -0.421 50 20 CBGD Cn1ncc(CCCNC(=O)NNC(=O)c2cn[nH]c2)n1 1329746349 TUALMTXPZRSGOA-UHFFFAOYSA-N 292.303 -0.885 50 20 CBGD CCc1nn(C)cc1C(=O)N1CC[C@H](B(O)O)C1 1330260868 CSPXYRLWJOQRAA-QMMMGPOBSA-N 251.095 -0.329 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NNc1ccncn1 1332094127 PSYLCFDHHASIGU-YUMQZZPRSA-N 280.288 -0.441 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@@H]1C[C@H]2CC[C@H]1O2 1332169586 AZWCFZDQVWMAAP-HBNTYKKESA-N 286.328 -0.246 50 20 CBGD CN(C)C(=O)NNC(=O)Cc1nc(C2CC2)nn1C 1332480858 IODCPYZYJGMTRD-UHFFFAOYSA-N 266.305 -0.463 50 20 CBGD C[C@H]1C[C@H](NC(=O)NNC(=O)c2cn[nH]c2)CCO1 1332482430 LTZPMWBPHDPHHP-IONNQARKSA-N 267.289 -0.079 50 20 CBGD Cc1c(C#N)cccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1335329118 FWQWCHXYHCAXPG-LLVKDONJSA-N 286.291 -0.094 50 20 CBGD COc1cc(O)ncc1C(=O)NN(C)[C@H](C)CO 1336511273 PTELSZRXIMCJDF-SSDOTTSWSA-N 255.274 -0.247 50 20 CBGD O=C(C[C@H]1CC(=O)N1)NNc1nc2ccccn2n1 1347750515 BMPOCSSXGHEESU-SSDOTTSWSA-N 260.257 -0.549 50 20 CBGD COC(=O)N(C)NC(=O)c1cc(-c2nn[nH]n2)[nH]c1C 1579453553 UGAIGPDOOSQDRI-UHFFFAOYSA-N 279.260 -0.154 50 20 CBGD O=C(O)c1cc(C(=O)NNc2ncncc2F)[nH]n1 1594781429 OKKHFRUQDJCTLH-UHFFFAOYSA-N 266.192 -0.206 50 20 CBGD O=C(O)CC1(C(=O)NNC(=O)CN2CCCC2=O)CCC1 1594976592 YINVOODVUGXMGN-UHFFFAOYSA-N 297.311 -0.599 50 20 CBGD CN(NC(=O)CCc1ocnc1C(=O)O)C(N)=O 1598541706 QKUWQLGNIXIQSM-UHFFFAOYSA-N 256.218 -0.653 50 20 CBGD CNC(=S)N(C)NC(=O)Cc1ccc(C(=O)O)nc1 1598662095 SDYUDESMAOHJFE-UHFFFAOYSA-N 282.325 -0.210 50 20 CBGD C[Si](C)(CNC(=O)NNC(=O)C(=O)O)c1ccccc1 1599940301 ZFAOQWUSVCWUDS-UHFFFAOYSA-N 295.371 -0.444 50 20 CBGD Cn1ccc(NNC(=O)Cn2cc(C(=O)O)cn2)n1 1600977397 OKOQYOJDDGCJHC-UHFFFAOYSA-N 264.245 -0.542 50 20 CBGD N#CCN(CC(=O)O)S(=O)(=O)CCCCl 1601072462 QSLUGAFQUNHPQV-UHFFFAOYSA-N 254.695 -0.145 50 20 CBGD C[C@]1(C(=O)O)CCN(C(=O)c2cc(B(O)O)ccc2F)C1 1603301368 PYOPCRPVCVOJLO-ZDUSSCGKSA-N 295.075 -0.558 50 20 CBGD O=C(O)CNC(=O)NNC(=S)NCCc1ccccc1 1610783692 PTDHYVMSJOWTAU-UHFFFAOYSA-N 296.352 -0.008 50 20 CBGD O=C(NNc1ncccn1)N[C@H]1CCS(=O)(=O)C1 42871176 JDRIYLUWLQKPRN-ZETCQYMHSA-N 271.302 -0.710 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)COC1CCCC1 44350460 IMHUEMLGQBAUFK-UHFFFAOYSA-N 271.317 -0.382 50 20 CBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2ccon2)C[C@@H](C)O1 111543996 BIGFYMAHTMYWMI-NXEZZACHSA-N 296.327 -0.065 50 20 CBGD CCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)CN(C)C 113425543 MKLHEEOGVDLNFE-SNVBAGLBSA-N 284.360 -0.514 50 20 CBGD COCCN1CC[C@H](NC(=O)NNc2ncccn2)C1 265720047 GMWGFPNEJOFYJM-JTQLQIEISA-N 280.332 -0.177 50 20 CBGD CN(NC(=O)CN1Cc2ccccc2C1=O)C(N)=O 272189603 NDZRKKNLZKLAJM-UHFFFAOYSA-N 262.269 -0.316 50 20 CBGD O=C(Cc1cn2ccccc2n1)NNC(=O)C1(O)CCC1 274648810 BQOVHVVIEQHZBP-UHFFFAOYSA-N 288.307 -0.061 50 20 CBGD CC(C)[C@H](O)C(=O)NNC(=O)COc1ccccc1O 291427186 DUSPARXBQRRWOI-LBPRGKRZSA-N 282.296 -0.065 50 20 CBGD Cn1cnc2c(C(=O)NNC(=O)C(C)(C)O)ccnc21 292776549 GTLVOJSHSQPXQJ-UHFFFAOYSA-N 277.284 -0.500 50 20 CBGD COC(=O)c1cn(CC(=O)NNC(=O)CC2CC2)nn1 294003737 ASUBKRKVYOCBPE-UHFFFAOYSA-N 281.272 -0.988 50 20 CBGD CCOC(=O)NCCC(=O)NNC(=O)c1ccc[nH]1 298422755 ICGRREIZKFKWEZ-UHFFFAOYSA-N 268.273 -0.088 50 20 CBGD CCN1C[C@@H](C(=O)NNC(=O)NCCCOC)CC1=O 299231947 JGMAFHYYWMEZDA-VIFPVBQESA-N 286.332 -0.778 50 20 CBGD CC[C@](C)(CNC(=O)c1cccc(B(O)O)c1)[C@@H](C)O 584964301 BKDCELLFSWFDMG-QMTHXVAHSA-N 279.145 -0.107 50 20 CBGD COCC1(CNC(=O)c2cccc(B(O)O)c2)CCC1 584986103 BFGQVUZJIIPSFV-UHFFFAOYSA-N 277.129 -0.087 50 20 CBGD C=CCC[C@@H](CO)NC(=O)c1cccc(B(O)O)c1 584998610 GBFWNMXSIDVMRD-LBPRGKRZSA-N 263.102 -0.577 50 20 CBGD Cc1noc(CCCNCc2ccc(B(O)O)o2)n1 585023202 DKQKSBCOCSATFG-UHFFFAOYSA-N 265.078 -0.627 50 20 CBGD C/C=C/C[C@@H](CO)NCc1ccc(B(O)O)cc1F 585035947 APAFKFJAYLGHNA-JDGPPOGSSA-N 267.109 -0.078 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1csnn1 732082733 IPWKKRCREATTGN-UHFFFAOYSA-N 252.259 -0.356 50 20 CBGD CC(C)C(=O)NNC(=O)NC[C@H](C)CN1CCOCC1 739060170 XVIVOMKYRAVMQV-NSHDSACASA-N 286.376 -0.059 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCO[C@H](COC)C1 741796342 YRRMZSPPHDJEBG-UWVGGRQHSA-N 273.333 -0.721 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)c1ccc[nH]1 746819035 KNTKQJRRQMJOLP-SSDOTTSWSA-N 273.314 -0.544 50 20 CBGD CCCNC(=O)NNC(=O)[C@]1(C)CCN(C(C)=O)C1 746839173 SUCCKDNJPKVVFM-GFCCVEGCSA-N 270.333 -0.015 50 20 CBGD C[C@H]1CN(C)CC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1 752163802 DQFCJBNOYFUERV-IUCAKERBSA-N 288.373 -0.590 50 20 CBGD CS(=O)(=O)NCCC(=O)NN=c1cc[nH]cc1Cl 757418859 BYTCDNOSCSSLRN-UHFFFAOYSA-N 292.748 -0.461 50 20 CBGD CC(C)SCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758048167 QHCZHJSNXOQDBK-SSDOTTSWSA-N 297.402 -0.787 50 20 CBGD CCN(CC(=O)NC)CC(=O)NNC(=O)c1cccs1 764203171 JGLAOXXSFLQPNX-UHFFFAOYSA-N 298.368 -0.423 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(F)nc1 777440744 KQEOXKYGYZYINX-SSDOTTSWSA-N 288.304 -0.392 50 20 CBGD CN1CC(=O)N(CC(=O)NNc2ccccn2)C1=O 777473081 WIJBQEQZJFKAAX-UHFFFAOYSA-N 263.257 -0.581 50 20 CBGD COC[C@@H](CNC(=O)NNC(=O)Cc1cccnc1)OC 781386974 DREIVUZEGKBVKW-LLVKDONJSA-N 296.327 -0.384 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](OCCOC)C1 781961315 DRNBOYIJBFHSOU-GHMZBOCLSA-N 287.360 -0.330 50 20 CBGD COC(=O)[C@H](C)N(CC(=O)NNC(=O)C1CC1)C1CCC1 792347489 IUAIJWPOBXFFCP-VIFPVBQESA-N 297.355 -0.040 50 20 CBGD CCN(CCOCCO)CC(=O)NNC(=O)C(C)(C)C 800429834 KNKJLDXSVFYXOI-UHFFFAOYSA-N 289.376 -0.489 50 20 CBGD CC(=NNC(=O)Cc1cc[nH]n1)c1cc(C(N)=O)n(C)c1 814955866 AXANKWDCCAXWIB-UHFFFAOYSA-N 288.311 -0.070 50 20 CBGD C[C@@H](CO)N(C)NC(=O)C1(C(=O)NC2CC2)CCC1 823959858 QZALHSKKJHLBLK-VIFPVBQESA-N 269.345 -0.221 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NOC[C@@H]1CCOC1 826598079 NKQRQQVTSQDFCS-IVZWLZJFSA-N 287.316 -0.290 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCO[C@@H](C)[C@@H]1C 828061441 BZLMEMOKMFXHHG-UWVGGRQHSA-N 257.334 -0.101 50 20 CBGD O=C(NNc1ncnc2[nH]cnc12)[C@H]1C[C@H]1C(=O)O 833179078 MBYRTIDLJLOKBG-CRCLSJGQSA-N 262.229 -0.483 50 20 CBGD COCCn1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n1 843658352 QYLNJZYQLDEBGV-ZJUUUORDSA-N 296.327 -0.285 50 20 CBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCCO1 848158821 ZUAMAQVTPMBCET-VGMNWLOBSA-N 269.301 -0.786 50 20 CBGD CN(NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C1CC1 854985017 KKQBJQWUNJKQMX-MRVPVSSYSA-N 276.362 -0.973 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCCN1C=O 855007780 YQHSWELQLFNOBF-LPEHRKFASA-N 269.301 -0.820 50 20 CBGD C[C@H](N)CCNC(=O)NNC(=O)COc1ccccc1O 857112814 JSLQJWHQBRRPIM-VIFPVBQESA-N 296.327 -0.161 50 20 CBGD O=C(CCc1ccccc1O)NNC(=O)[C@H]1CCNC1=O 857118173 FINAVRDOGLNQBJ-JTQLQIEISA-N 291.307 -0.392 50 20 CBGD NC(=O)[C@@H]1CC[C@H](C(=O)NN=c2cc[nH]cc2Cl)O1 860853693 CXYXJTQBPJJRQE-DTWKUNHWSA-N 284.703 -0.367 50 20 CBGD Cc1cncc(/C=C\C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862457304 GMMIVVKMDBXVJX-CJHWANRJSA-N 288.307 -0.171 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)C2CC3(CCC3)C2)N1 862460626 IRIBWFTXJNVGLN-VIFPVBQESA-N 265.313 -0.007 50 20 CBGD CC[C@@H](C)CC(=O)NNC(=O)CS(C)(=O)=O 863464342 CTMVBTCIPCIZGG-SSDOTTSWSA-N 250.320 -0.385 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCO[C@H]2C[C@@H]21 863882126 IOLKDEWIDRCNOD-QWRGUYRKSA-N 265.049 -0.881 50 20 CBGD CC[C@@]1(O)CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 870677878 IHSSQPVVFXGWKK-CQSZACIVSA-N 295.119 -0.117 50 20 CBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1CC12CCC2 876426730 RDERGBCICQGTIM-VIFPVBQESA-N 280.328 -0.118 50 20 CBGD Cc1cc(C)n(CC(=O)NN=C2CCS(=O)(=O)C2)n1 912797811 XLIZAYCCCLUTQZ-UHFFFAOYSA-N 284.341 -0.209 50 20 CBGD CC(C)n1ccc(C(=O)NNC(=O)CN2CCCC2=O)n1 913730612 BPNFBPLWJAEZMJ-UHFFFAOYSA-N 293.327 -0.153 50 20 CBGD O=C1CSC[C@@H](C(=O)NNc2ncncc2Cl)N1 935546355 XFFCJLLGPAAOEB-LURJTMIESA-N 287.732 -0.195 50 20 CBGD Cn1ccc(NNC(=O)CCCS(C)(=O)=O)n1 1116852651 PLWDZJLDHRDCDP-UHFFFAOYSA-N 260.319 -0.312 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCCN(C(N)=O)C1 1119581782 MXRPBVITPREMBN-DTWKUNHWSA-N 258.322 -0.879 50 20 CBGD Cc1c(CC(=O)NNC(=O)CN2CCCC2=O)cnn1C 1119662343 FVRWXSVAXQCOJH-UHFFFAOYSA-N 293.327 -0.959 50 20 CBGD CC(=O)Nc1cccc(C(=O)NNC(=O)CO)c1C 1255530575 FOCZHAPKMLEWJY-UHFFFAOYSA-N 265.269 -0.293 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@@H]1CCC(=O)N1 1261745879 TVXVBNJPBAPSCX-CIUDSAMLSA-N 269.301 -0.773 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)OCC(F)(F)F 1261755163 WDACFEKYOONNHE-UHFFFAOYSA-N 278.208 -0.649 50 20 CBGD CS(=O)(=O)N1CCC(C(=O)NNc2cccnn2)CC1 1320054598 SMXNMUPGCZBRDQ-UHFFFAOYSA-N 299.356 -0.409 50 20 CBGD CC(=O)NNS(=O)(=O)c1cnn(CC(F)(F)F)c1 1320700697 OJPPJOZVXAXIOB-UHFFFAOYSA-N 286.235 -0.225 50 20 CBGD CCOC1(C(=O)NNC(=O)Cc2cc[nH]n2)CCOCC1 1327898609 BOIQULXDYFKCGY-UHFFFAOYSA-N 296.327 -0.315 50 20 CBGD NNC(=O)CSCc1cc(=O)n2ccsc2n1 1328524928 NJRKZGHNTCLWIE-UHFFFAOYSA-N 270.339 -0.021 50 20 CBGD NS(=O)(=O)CCCCCC(=O)NNC(=O)C1CC1 1329614960 DIUWVBKHKFZJIL-UHFFFAOYSA-N 277.346 -0.607 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC(C)(C)CCCO 1337146720 CUQICUDRMNAUJC-UHFFFAOYSA-N 275.305 -0.712 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CC1 1338769777 OQNBBLXYMHBOFJ-UHFFFAOYSA-N 291.311 -0.685 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@@H]1CCCS1(=O)=O 1346439281 WQDUBBJPEDWUQF-JTQLQIEISA-N 297.336 -0.651 50 20 CBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 1348111413 WCJOZCQLNSYMMF-HLTSFMKQSA-N 284.316 -0.837 50 20 CBGD C[C@@H]1COCC[C@@H]1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1348111593 ZWVFOCAZDLNYMV-BBBLOLIVSA-N 298.343 -0.732 50 20 CBGD C[C@@H](CCCN)NC(=O)NNC(=O)C1CCOCC1 1575952198 MTZCYAFPDPMTFF-VIFPVBQESA-N 272.349 -0.129 50 20 CBGD C/C(C#N)=C/Cn1c(O)ncc(-c2nn[nH]n2)c1=O 1588924123 DFZMERQGPHHNRS-KXFIGUGUSA-N 259.229 -0.401 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NCCOCC(=O)O 1589693636 SGWPYMJLALDQFK-UHFFFAOYSA-N 261.278 -0.536 50 20 CBGD C[C@@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)C(=O)O 1592463933 JSIUXONRPOBSQI-BQBZGAKWSA-N 259.262 -0.784 50 20 CBGD C[C@H](O)CN(C)NC(=O)Cc1ccc(C(=O)O)nc1 1593456354 DABMONIESHVQJX-QMMMGPOBSA-N 267.285 -0.334 50 20 CBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=S)NCC1CCC1 1593926258 FINNEBXYMINOOG-LLVKDONJSA-N 289.357 -0.229 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(=O)O)cn1 1594644792 NQFHYROKWGKCMX-VXNVDRBHSA-N 293.279 -0.034 50 20 CBGD O=C(O)c1ccc(C(=O)NNC(=O)[C@H]2CCCO2)nc1 1595220932 QFGREZGOBOVCRW-SECBINFHSA-N 279.252 -0.280 50 20 CBGD CC[C@@H](CN1CCCC1)NC(=O)NNC(=O)C(=O)O 1605025351 VHYQPJCEVPZUCG-QMMMGPOBSA-N 272.305 -0.724 50 20 CBGD CC(=O)NNC(=O)[C@@H](C)Oc1ccc(-c2nn[nH]n2)cc1 1609064078 XYUPVTBQVLFEAG-SSDOTTSWSA-N 290.283 -0.199 50 20 CBGD O=C(Cn1cc([N+](=O)[O-])cn1)NNC(=O)NCC1CC1 49166571 BBTRIMRSFFAXQO-UHFFFAOYSA-N 282.260 -0.468 50 20 CBGD NC(=O)c1ccc(OCC(=O)NNC(=O)NC2CC2)cc1 143199006 VXFLOMIXWLQGNO-UHFFFAOYSA-N 292.295 -0.343 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(S(C)(=O)=O)cc1 263897920 QEJLSJAWSZTLLF-UHFFFAOYSA-N 299.352 -0.587 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)COCc1ccccc1 265651991 XWCQKDDOXBSKKT-UHFFFAOYSA-N 293.323 -0.171 50 20 CBGD O=C(NNC(=O)[C@H]1COCCN1)c1ccccc1F 367681576 LTAZYKDOUKTZES-SNVBAGLBSA-N 267.260 -0.425 50 20 CBGD C[C@@H](N)CN(C)CC(=O)NNC(=O)c1ccccc1 382303001 MCAKLSFJFCNOEU-SNVBAGLBSA-N 264.329 -0.273 50 20 CBGD COCCN(C)C(=O)c1cc(B(O)O)ccc1F 584932865 SYUMMIKXIWQFKC-UHFFFAOYSA-N 255.054 -0.776 50 20 CBGD C[C@@H]1OCCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1C 584962909 MFAGLIBCSBXPCT-ZJUUUORDSA-N 263.102 -0.384 50 20 CBGD CC[C@@](C)(CNC(=O)c1ccc(B(O)O)cc1)[C@@H](C)O 584966127 WLMQUQQHQUHYKP-YGRLFVJLSA-N 279.145 -0.107 50 20 CBGD C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1CO 584979087 KQWZONPOVUGMKB-SKDRFNHKSA-N 263.102 -0.791 50 20 CBGD C[C@H]1[C@@H](N(C)C)CCN1C(=O)c1ccc(B(O)O)cc1 584993002 REYIHPSFEJKRPC-GWCFXTLKSA-N 276.145 -0.469 50 20 CBGD CCC(=O)N1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584999882 FNKSEFFXHMBESW-UHFFFAOYSA-N 276.101 -0.982 50 20 CBGD O=C(NCCC1CSC1)c1ccc(B(O)O)cc1 585000831 ODOHDAQZOLARBM-UHFFFAOYSA-N 265.143 -0.151 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCO[C@@]3(CCOC3)C2)o1 585034448 LCYZSPCOMUKSRU-MFKMUULPSA-N 281.117 -0.613 50 20 CBGD CCO[C@@H]1C[C@H](NCc2ccc(B(O)O)cc2F)[C@H]1OC 585034608 KLFGECIREBVRGT-BFHYXJOUSA-N 297.135 -0.213 50 20 CBGD CCN(C)C(=O)[C@@H](C)NCc1ccc(B(O)O)cc1 585038233 WYODRFARJBTGGU-SNVBAGLBSA-N 264.134 -0.677 50 20 CBGD COc1cc(C(=O)NCB(O)O)cc([N+](=O)[O-])c1C 585062086 CSFFNNDXMVJKBA-UHFFFAOYSA-N 268.034 -0.346 50 20 CBGD O=C(NCB(O)O)c1cc(-n2ccnn2)ccc1F 585062397 IBRLQOQBHKYQBB-UHFFFAOYSA-N 264.025 -0.852 50 20 CBGD O=C(NNC(=O)c1ccc[nH]1)c1ccc(-c2nn[nH]n2)nc1 738137047 QQPHWOVLQDYJQP-UHFFFAOYSA-N 298.266 -0.335 50 20 CBGD CCOCCCNC(=O)NNC(=O)c1cn[nH]c1 742420941 CMDRMXWVQNFLJY-UHFFFAOYSA-N 255.278 -0.220 50 20 CBGD O=C(CCCNC(=O)C1CC1)NNC(=O)N1CCOCC1 745986184 MEWBNWIITCXKES-UHFFFAOYSA-N 298.343 -0.634 50 20 CBGD CC(=O)N[C@@H](CC(=O)NNc1cccc(F)c1)C(N)=O 748091131 FZZPYZNNXRYEIT-JTQLQIEISA-N 282.275 -0.351 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CC[C@@]1(C)CCC(=O)N1 753436628 SSIRBJHZHVTJLU-CYBMUJFWSA-N 293.327 -0.072 50 20 CBGD C#C[C@@H](C)NC(=O)NNC(=O)CNC(=O)OC(C)(C)C 773599395 ABPRFIXNQOHIPI-MRVPVSSYSA-N 284.316 -0.137 50 20 CBGD COCc1nc(C(=O)NNC(=O)C2CCC2)no1 775390293 GUOVSNSKQOQTHJ-UHFFFAOYSA-N 254.246 -0.223 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CO[C@@H](C)C1 784150390 OREXSXKJBDBKCJ-DTWKUNHWSA-N 285.344 -0.136 50 20 CBGD COC(=O)c1cc(C=NNC(=O)C(=O)NC2CC2)cn1C 790153691 KOUQYAODNFCLSN-UHFFFAOYSA-N 292.295 -0.460 50 20 CBGD COc1cncc(C(=O)NNC(=O)c2cccn2C)n1 790215659 NVOWRRDOGKTNGP-UHFFFAOYSA-N 275.268 -0.102 50 20 CBGD COc1ccc(CC(=O)NNC(=O)CN(C)C)nc1 806771058 KEPPMTXWOLQOIV-UHFFFAOYSA-N 266.301 -0.658 50 20 CBGD CC(=NNC(=O)CO)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 811647130 YHGOXIVGPPVPDY-UHFFFAOYSA-N 276.252 -0.951 50 20 CBGD Cc1nc(CC(=O)NNC(=O)NC2CCCC2)n[nH]1 824342980 QBIPDBUEUDLIAY-UHFFFAOYSA-N 266.305 -0.071 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CCCCNC1=O 825687013 VUGAKXPLZGJEEU-IVZWLZJFSA-N 298.343 -0.590 50 20 CBGD CONC(=O)CNC(=O)[C@@]1(C)C[C@H]1Br 832749662 XFHGEQIVRSRJSJ-XRGYYRRGSA-N 265.107 -0.046 50 20 CBGD COC(=O)C1(CNC(=O)NNC(=O)[C@@H]2CCCCO2)CC1 836412998 BPZLKPFLNNTHOY-VIFPVBQESA-N 299.327 -0.161 50 20 CBGD CC(C)N(C)S(=O)(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 842591909 HJPAMKQBIBJHOP-RKDXNWHRSA-N 279.362 -0.383 50 20 CBGD CC(C)(C)n1nnc(C=NNC(=O)N2CCOCC2)n1 853296831 SJGXDEGOTOAOLW-UHFFFAOYSA-N 281.320 -0.196 50 20 CBGD COCCCNC(=S)N(C)NC(=O)C1(N(C)C)CC1 854286633 VPDSGKCDIDRWGN-UHFFFAOYSA-N 288.417 -0.045 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)c2cccc(F)n2)C1=O 856422774 DKKHFAJLPQHFJD-ZETCQYMHSA-N 280.259 -0.540 50 20 CBGD O=C(NNC(=O)[C@@]1(O)CCSC1)c1cccc(F)n1 856422863 FQBHMGRICSYDRJ-LLVKDONJSA-N 285.300 -0.150 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1cnn(CCF)c1 861483698 DWRRROYCJQTPTP-UHFFFAOYSA-N 272.284 -0.433 50 20 CBGD C[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)c1cn[nH]c1 862469573 OVOZGLYSGYECQX-SSDOTTSWSA-N 262.273 -0.227 50 20 CBGD CC1(NC(=S)NNC(=O)[C@@H]2CCC(=O)N2)CC1 863204437 YNYJUIIAOBNQRI-LURJTMIESA-N 256.331 -0.687 50 20 CBGD C=CCOC[C@H](NCc1ccccc1B(O)O)C(=O)OC 863890666 BMGNBROPGPEZIS-ZDUSSCGKSA-N 293.128 -0.800 50 20 CBGD COCCOCC(=O)NN[C@H](C(=O)OC)C1CC1 871900000 QDSRLQVLJUMMHQ-JTQLQIEISA-N 260.290 -0.778 50 20 CBGD O=C(CNc1ccccc1)NNC(=O)[C@@H]1CCCNC1=O 895534599 KCWQBYUJJHHDFD-LLVKDONJSA-N 290.323 -0.228 50 20 CBGD C[C@H](CC[S@@](C)=O)NC(=O)c1cccc(B(O)O)c1 900879123 NXAYAOQVYKADPJ-AYLIAGHASA-N 283.158 -0.747 50 20 CBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NN(C)C[C@H](C)O 910150861 WYNPLOLAGQTCHT-SMDDNHRTSA-N 297.355 -0.748 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@]12CCC(=O)N1CCS2 910175820 VCQMONBMOQXIKQ-KWQFWETISA-N 273.358 -0.604 50 20 CBGD CC(=O)NNC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 912693544 DEOZLCYWDZUHNL-AOOOYVTPSA-N 281.312 -0.281 50 20 CBGD COc1cnc(C(=O)NNC(=O)NC2CC2)nc1 1117745774 KIMXYMYRXNQVNJ-UHFFFAOYSA-N 251.246 -0.408 50 20 CBGD CCCNC(=O)NNC(=O)[C@H]1C[C@@H](C(=O)OC)C1 1120594093 KFPVYFRHIQZPKK-OCAPTIKFSA-N 257.290 -0.074 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)c1cccnc1 1252439477 YMLYUHNXXKTKRC-ZETCQYMHSA-N 266.257 -0.354 50 20 CBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNc1ccccn1 1263774215 RHAHEJLLOGVSKG-QWRGUYRKSA-N 261.329 -0.087 50 20 CBGD C#CCN1CCC(C(=O)NNC(=O)N(C)C)CC1 1318159936 FZCDOTHOYHSQQR-UHFFFAOYSA-N 252.318 -0.366 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CCc2nnc(C)n2C1 1320040507 WHZGXYHMFRCMHE-SSDOTTSWSA-N 252.278 -0.891 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C(=O)N1CCCC1)[C@@H]1CCOC1 1321151496 YBXIWKRJWAMKGD-NXEZZACHSA-N 298.343 -0.636 50 20 CBGD NC(=O)CNC(=S)NNC(=O)c1ccccc1Cl 1321449430 JEGLKQHUKHJFLF-UHFFFAOYSA-N 286.744 -0.066 50 20 CBGD O=C(CC1CC1)NNC(=O)C(=O)Nc1cccnc1 1323945417 WLLVKVUFYVWSRF-UHFFFAOYSA-N 262.269 -0.032 50 20 CBGD O=C(NC[C@H]1CCCOC1)NNC(=O)c1cn[nH]c1 1331277891 UVRPCQHHLAVVMN-MRVPVSSYSA-N 267.289 -0.220 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1cnc(C2CC2)[nH]1 1331735759 ADEHZBBITSDYEH-UHFFFAOYSA-N 286.313 -0.907 50 20 CBGD Cc1nn(C)c(C)c1CC(=O)N1CC[C@H](B(O)O)C1 1331895597 MSICIEUKNLRCTL-JTQLQIEISA-N 265.122 -0.345 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C 1337781084 PCECBMSALVWLTB-UHFFFAOYSA-N 298.324 -0.672 50 20 CBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1 1338692823 DNXLJJKUPZLJCA-UHFFFAOYSA-N 299.670 -0.401 50 20 CBGD C[C@]1(CNC(=O)C2(O)CNC2)C[C@@H]1Br 1347938610 CJEPSWSTDNTUJT-POYBYMJQSA-N 263.135 -0.390 50 20 CBGD Cc1nnc(COCC(=O)NNC(=O)c2cn[nH]c2)s1 1348386915 IQXUZQBGLUQVSV-UHFFFAOYSA-N 296.312 -0.453 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)CN2C(=O)CCC2=O)n1 1519725599 KSMRTUUDOZZVJQ-UHFFFAOYSA-N 298.690 -0.696 50 20 CBGD COC(=O)N(C)NS(=O)(=O)CC1(CC(=O)O)CC1 1598875919 PWVJJMSCHZOCPD-UHFFFAOYSA-N 280.302 -0.226 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CCC[C@H](O)[C@@H]1C(=O)O 1605614900 ALTMVCSZWUVLCQ-ZTXJHGQBSA-N 268.269 -0.133 50 20 CBGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)c1ccccn1 44819984 ZXUZTMYERIKRSQ-UHFFFAOYSA-N 299.352 -0.087 50 20 CBGD CNC(=O)NNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 49119581 JAHFFDOPOFQJCI-HTQZYQBOSA-N 282.300 -0.878 50 20 CBGD CC(C)[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)N(C)C 106913555 OVMUILJCMGEEOT-JTQLQIEISA-N 284.360 -0.658 50 20 CBGD CCc1noc2ncc(C(=O)NNC(=O)CO)cc12 182745230 FVGUDTPJOWBERH-UHFFFAOYSA-N 264.241 -0.462 50 20 CBGD COCCN1CC[C@H](NC(=O)NNc2cccnn2)C1 265603359 MDHUHEJYOREGBC-JTQLQIEISA-N 280.332 -0.177 50 20 CBGD COc1cc(C)nc(NNC(=O)CNC(C)=O)n1 266956147 VZPLREZGCXTAJF-UHFFFAOYSA-N 253.262 -0.627 50 20 CBGD CCC[C@@H](OC)C(=O)NNC(=O)C(=O)N1CCCC1 294667449 VVOKGEXJIWBZAT-SECBINFHSA-N 271.317 -0.429 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(Cl)nc2)N1 299242269 LBCDTFOMCVMFMI-ZETCQYMHSA-N 282.687 -0.225 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 491127451 BEENUIBRKCVKOS-DDXVTDLHSA-N 287.341 -0.420 50 20 CBGD CCO/C=C/C(=O)NNC(=O)CNC(=O)c1ccco1 493216530 IQANJZIYHJOLIQ-FNORWQNLSA-N 281.268 -0.293 50 20 CBGD COC[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C(C)C 584949706 GVGWPRLBHGVSAS-GFCCVEGCSA-N 283.108 -0.094 50 20 CBGD C[C@@H](CCCO)NC(=O)c1cc(B(O)O)ccc1F 584959090 WXAHGZLKOGOJDA-QMMMGPOBSA-N 269.081 -0.604 50 20 CBGD O=C1CN(C(=O)c2ccc(B(O)O)cc2)CN1CC1CC1 584983178 MXPYDOJRVZZYQI-UHFFFAOYSA-N 288.112 -0.982 50 20 CBGD O=C(NCCCCF)c1ccc(B(O)O)c(F)c1 584991474 ZIQLFNKCAWJYMF-UHFFFAOYSA-N 257.045 -0.015 50 20 CBGD CSCCNC(=O)c1ccc(B(O)O)c(F)c1 585008180 LJPGENOCHJASDT-UHFFFAOYSA-N 257.095 -0.402 50 20 CBGD OCCCSCCNCc1ccc(B(O)O)cc1 585022123 SXRLPGLNUWYJDW-UHFFFAOYSA-N 269.175 -0.428 50 20 CBGD OB(O)c1ccc(CNC[C@@H](O)c2cccs2)o1 585025401 SRIFVUARAIYQAT-SECBINFHSA-N 267.115 -0.156 50 20 CBGD Cc1nnsc1CNCc1ccccc1B(O)O 585042524 DKNIXYYCNBQOFO-UHFFFAOYSA-N 263.131 -0.184 50 20 CBGD C[C@@H]1NC(=O)CC[C@@H]1CNCc1cccc(B(O)O)c1 585046840 WLUNXMAULZBRSP-CMPLNLGQSA-N 276.145 -0.629 50 20 CBGD O=C(NCB(O)O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 585063312 XFCZHCGXFIVMKK-SECBINFHSA-N 294.091 -0.303 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCCN(C(C)=O)CC1 732196546 AGCIJRUTVXBRNG-JTQLQIEISA-N 284.360 -0.514 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(CC(=O)NC)CC1 746669516 COGYZJYNXLFFER-SNVBAGLBSA-N 298.387 -0.220 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1CSCCS1 751061710 YTJUAGULZNOWSA-SSDOTTSWSA-N 263.388 -0.456 50 20 CBGD CC(=O)NNC(=O)CNc1ccccc1C(N)=O 754288274 OAPJROCSOHXWOC-UHFFFAOYSA-N 250.258 -0.635 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1cc(C)n(C)n1 757754297 QJZZWWVXPHKTHO-SECBINFHSA-N 299.331 -0.067 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1cccc(Cl)c1 764420935 HFHNFBSVQBZLBI-UHFFFAOYSA-N 271.660 -0.582 50 20 CBGD CCNC(=O)NNC(=O)CNC(=O)Cc1ccc(O)cc1 765413151 CYKKUMOOEAQLGQ-UHFFFAOYSA-N 294.311 -0.599 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCC[C@H]1C(=O)NC 766274723 FINCEGYRFNFVCS-RKDXNWHRSA-N 286.332 -0.732 50 20 CBGD NC(=O)CCC1CCN(CC(=O)NNC(=O)C2CC2)CC1 767774760 QRAKCNJMDGDJEV-UHFFFAOYSA-N 296.371 -0.479 50 20 CBGD CCNC(=O)N(C)N=Cc1cn(CC(=O)O)nn1 769591279 FZZDQZQTBWLBJM-UHFFFAOYSA-N 254.250 -0.642 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CC[C@H]1O 778254417 CKEDPUBBIHYJEY-VHSXEESVSA-N 271.361 -0.117 50 20 CBGD CO[C@@H](C)CCC(=O)NNC(=O)C(=O)NC(C)C 782551716 BYXUECKYKKYZOV-QMMMGPOBSA-N 259.306 -0.527 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H]2C[C@@]2(CO)C1 782604655 LBUXFZVGARFXKI-MJVIPROJSA-N 283.372 -0.117 50 20 CBGD NC(=O)c1ccc(CC(=O)NNC(=O)NC2CC2)cc1 792592148 SGVDXFWMMYQSIH-UHFFFAOYSA-N 276.296 -0.179 50 20 CBGD COC(=O)[C@H](C)N(C)CC(=O)NNC(=O)C(C)(C)C 796610611 ZQCUQGHRNAHICQ-QMMMGPOBSA-N 273.333 -0.327 50 20 CBGD O=C(CO)NNC(=O)c1c[nH]c2c(F)cc(F)cc2c1=O 807196579 XGCDXVPEEUEJIG-UHFFFAOYSA-N 297.217 -0.440 50 20 CBGD C[C@H]1CSC[C@H]1NC(=O)NNC(=O)C(=O)NC1CC1 807475642 JDJAHQHDARVSAY-POYBYMJQSA-N 286.357 -0.653 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cnn(CCF)c1 813530331 PCQWDWHLAHTKQX-UHFFFAOYSA-N 258.253 -0.616 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)CC1CC1 819136143 NFVDBCXGTLSYKI-SSDOTTSWSA-N 262.331 -0.385 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCc1cn[nH]c1 826822725 DPTRFEGFSRPRFC-SCZZXKLOSA-N 281.316 -0.292 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CCCN1C(C)C 827870315 ZBAJUFXABGXBFD-LLVKDONJSA-N 287.360 -0.330 50 20 CBGD Cc1cc(NNC(=O)[C@@H]2CCCN2C)nc(N)n1 828366938 DVDCIMHACPIHCV-QMMMGPOBSA-N 250.306 -0.095 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCc2cncn2C1 832754225 FXEPOIFHHRVMBS-MRVPVSSYSA-N 266.301 -0.636 50 20 CBGD Cn1cccc1C(=O)NN=Cc1cn(C)c(=O)n(C)c1=O 839409258 SJMHGOZQEAQQQQ-UHFFFAOYSA-N 289.295 -0.814 50 20 CBGD Cn1nnc2c1CC[C@@H](NC(=O)NNc1ccncn1)C2 848670287 QBYQRCQEZJVMHF-MRVPVSSYSA-N 288.315 -0.211 50 20 CBGD CNC[C@H](C)NC(=O)NNC(=O)COc1ccccc1O 851680282 IBCKFLCKAPYLPZ-VIFPVBQESA-N 296.327 -0.291 50 20 CBGD O=C(NN=C1CCOC1)[C@@H]1CN2CCC[C@@H]2CO1 853387654 HXGGSPHDRGZVIU-MNOVXSKESA-N 253.302 -0.258 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)OCC(F)(F)F 856022325 YXKPNBSGDFKYNX-UHFFFAOYSA-N 272.183 -0.765 50 20 CBGD O=C1CCC[C@H](C(=O)NNC(=O)c2cccc(F)n2)N1 856427393 VZZYUBNXSYHKOA-MRVPVSSYSA-N 280.259 -0.350 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)[C@]2(O)CCOC2)n1 857486123 HDQLYWSAKMBFQG-VIFPVBQESA-N 273.680 -0.693 50 20 CBGD O=C1N[C@@H](C(=O)NNC(=O)c2ccccc2)CCO1 858101407 OLPFYHGBYXBKSX-SECBINFHSA-N 263.253 -0.054 50 20 CBGD CC[C@H]1CCCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858695314 FGEGCAWXRAFONA-IUCAKERBSA-N 268.317 -0.120 50 20 CBGD C[C@H]1CSCCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 858695725 FRJDWZNRVKJNAE-JGVFFNPUSA-N 286.357 -0.557 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccnc(C2CC2)n1 863463245 GTWDSBJBPXRDCO-UHFFFAOYSA-N 298.324 -0.840 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cnn(C(F)F)c1 865045833 AITMOENHNXLNSL-UHFFFAOYSA-N 289.242 -0.035 50 20 CBGD CN1CCO[C@@H](C(=O)NNc2ccc(C#N)cc2)C1=O 901163259 SWVYBZXTFAGLGY-NSHDSACASA-N 274.280 -0.141 50 20 CBGD CCC(=O)N1CC[C@H](C(=O)NN(C)C[C@@H](C)O)C1 910159743 CJBPBKRLVKWUNL-ZJUUUORDSA-N 257.334 -0.411 50 20 CBGD O=C(CCn1cccc1)NNC(=O)CN1CCCC1=O 913731292 BTZCMXCRIGGXKQ-UHFFFAOYSA-N 278.312 -0.352 50 20 CBGD O=C(NCc1nnc2n1CCC2)NNC(=O)C1CCC1 1116035765 RJWNIOJIPBCTBY-UHFFFAOYSA-N 278.316 -0.145 50 20 CBGD O=C(Cc1cc(O)nc(O)n1)NN=Cc1ccc[nH]1 1252255531 HZIMGFSVHQWAAE-UHFFFAOYSA-N 261.241 -0.091 50 20 CBGD Cn1cc(CC(=O)NNc2ncnc3[nH]cnc23)cn1 1252256908 XARWCMHVEILOIX-UHFFFAOYSA-N 272.272 -0.228 50 20 CBGD CCOC(=O)c1cc(NC(=O)NNC(=O)CCO)cn1C 1254980413 KPILLVULPFRQLJ-UHFFFAOYSA-N 298.299 -0.263 50 20 CBGD Cc1ccncc1CC(=O)NNC(=O)C(=O)NC(C)C 1261661938 DMUBPUQZPPHRKN-UHFFFAOYSA-N 278.312 -0.395 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)NOCC1CCC1 1261675077 QJCLVDOZXKWHRX-UHFFFAOYSA-N 270.289 -0.673 50 20 CBGD CN(C)N(C(=O)[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1318459064 JSZIRPWIOVULHL-NXEZZACHSA-N 276.358 -0.485 50 20 CBGD Cn1nc(C(=O)NNc2nccnc2Cl)ccc1=O 1318529020 LWJRAPBEDWYAHF-UHFFFAOYSA-N 280.675 -0.019 50 20 CBGD CN(C)CC(=O)NNC(=O)CCc1ccc(O)nc1 1320935607 XTDUDOKSACNZIT-UHFFFAOYSA-N 266.301 -0.571 50 20 CBGD CCOC(=O)c1ncc(C(=O)NNC(=O)CO)s1 1323004335 KVJDQRABNBCGSJ-UHFFFAOYSA-N 273.270 -0.927 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCNC(=O)C1 1324108265 ZAPOBTHOZYIUDJ-JGVFFNPUSA-N 285.300 -0.998 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)NOC[C@H]1CCOC1 1324446984 JWGUWGIUGPFHOW-NSHDSACASA-N 294.311 -0.077 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@H]1C=CCC1 1327774966 KHAZLPNBZQHJEG-ZETCQYMHSA-N 252.274 -0.686 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ncccn2)CO1 1328161841 WBTQBFYNDOMKMJ-HTQZYQBOSA-N 265.273 -0.402 50 20 CBGD C[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)[C@H]1CCOC1 1328700840 UBDKHCXYNBYCQI-SFYZADRCSA-N 267.289 -0.221 50 20 CBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccnc(C)n1 1330143646 SRUZTXIULHWRET-SNVBAGLBSA-N 261.285 -0.096 50 20 CBGD O=C(NN=c1cc[nH]cc1Cl)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 1334390095 NVKZTOHIBBXPFF-GMTAPVOTSA-N 299.714 -0.987 50 20 CBGD O=C(NNC(=O)N1CC[C@H]1CO)c1cccc(F)n1 1341957187 GTWCLWOUDMJRTL-ZETCQYMHSA-N 268.248 -0.358 50 20 CBGD O=C(NNc1ccnc(Cl)c1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 1347840976 DDAVSEIXOIYTQU-FXPVBKGRSA-N 299.714 -0.409 50 20 CBGD CCCn1cc(C(=O)NNC(=O)C2CCOCC2)nn1 1349789187 XPQGZCTWDJEMAK-UHFFFAOYSA-N 281.316 -0.124 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@H]2CN3CCN2C[C@H]3C)n1 1350849945 DUBJPGQLUUOISR-VXGBXAGGSA-N 290.371 -0.075 50 20 CBGD C[C@H](C(=O)NNC(=O)c1cccn1C)[C@@H]1CCC(=O)N1 1351340066 AKTBUXANSPNXSI-IUCAKERBSA-N 278.312 -0.299 50 20 CBGD C[C@@H](NC(=S)NNC(=O)CN1C(=O)CCC1=O)C1CC1 1521726318 FCKBCIUTHNBFLP-SSDOTTSWSA-N 298.368 -0.571 50 20 CBGD O=C(Cc1ccsc1)NNC(=O)C[C@@]1(O)CCCNC1 1580576624 QMEYBYSJVCZTHV-ZDUSSCGKSA-N 297.380 -0.057 50 20 CBGD CC(C)C[C@@H](CNC(=O)NNC(=O)C(=O)O)C(=O)O 1591150981 ZDMKHCOUAAPXTE-LURJTMIESA-N 275.261 -0.852 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CO[C@@H](CCC(=O)O)C1 1593797454 IRDXBUSEAKIBAW-YUMQZZPRSA-N 289.357 -0.276 50 20 CBGD O=C(O)CNC(=O)NN=Cc1cn(C2CC2)cn1 1602072178 USMDOGPITFDWDU-UHFFFAOYSA-N 251.246 -0.064 50 20 CBGD O=C(O)c1cnc(C(=O)NNC(=O)[C@H]2CCCCO2)cn1 1602509186 UUVABGOSVYMWFB-SECBINFHSA-N 294.267 -0.495 50 20 CBGD CC(C)CN(CC(=O)O)CC(=O)NNC(=O)C(C)C 1603804420 FFMZYZRAXWCQGQ-UHFFFAOYSA-N 273.333 -0.168 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@@]1(C(=O)O)CCCO1 1605723487 CTIHZKWNRALUKE-CYBMUJFWSA-N 293.279 -0.595 50 20 CBGD O=C(O)[C@H](CF)NS(=O)(=O)CBr 1610717200 QLXMTFFRPLRECI-VKHMYHEASA-N 264.072 -0.319 50 20 CBGD CC(=NNC(=O)C(N)=O)c1cncc(C(=O)O)c1 1776015659 HLDVVIPJVPOESL-UHFFFAOYSA-N 250.214 -0.895 50 20 CBGD C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1800451756 CSEMNFVZWXERRO-JZSSXWJLSA-N 288.706 -0.256 50 20 CBGD NC(=O)C(=O)N/N=C1\C(O)=Nc2ccc(F)cc21 6675356 DBUUVGLBAYYJEY-UHFFFAOYSA-N 250.189 -0.267 50 20 CBGD CNC(=O)NNC(=O)c1cccnc1OCCOC 48950904 KIXWIRGAOYVPAO-UHFFFAOYSA-N 268.273 -0.319 50 20 CBGD C[C@@H]1CNCCN1CC(=O)NNC(=O)c1ccccc1 54373317 IBZVBSMZIPQIHZ-LLVKDONJSA-N 276.340 -0.259 50 20 CBGD CCN(CC)C(=O)CNC(=O)NNc1nccc(OC)n1 64772128 VSTYLNGWIKVPKQ-UHFFFAOYSA-N 296.331 -0.020 50 20 CBGD O=C(CN1CCS(=O)CC1)NNC(=O)c1ccccc1 111224182 OXJGGKGCXQETJK-UHFFFAOYSA-N 295.364 -0.488 50 20 CBGD CC(C)(C)C(=O)NNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 126268621 SFZAQVMWVGHZJQ-UHFFFAOYSA-N 296.283 -0.050 50 20 CBGD Cc1cc(C(=O)NNC(=O)COCC2CC2)[nH]n1 151223322 OVMQSYJDFJYPRC-UHFFFAOYSA-N 252.274 -0.094 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O 277879432 DSGQIPWKCLYCGU-UHFFFAOYSA-N 283.240 -0.168 50 20 CBGD COC(=O)NNS(=O)(=O)c1cccc2c1OCO2 496883665 MCBLDHWUHSJPSF-UHFFFAOYSA-N 274.254 -0.035 50 20 CBGD CN1CCCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584924361 HOUAMDFRQZEOKG-UHFFFAOYSA-N 280.108 -0.717 50 20 CBGD C[C@@H]1C[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)CCN1C 584950418 KIERBPWQSGLILB-MWLCHTKSSA-N 294.135 -0.282 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@@](F)(CO)C1 584989966 MBASVBVLKSBELC-ZDUSSCGKSA-N 299.082 -0.558 50 20 CBGD CC(C)N(C)C[C@H](C)NC(=O)c1ccc(B(O)O)cc1 584991225 CAUYLYDSMWSDKG-NSHDSACASA-N 278.161 -0.175 50 20 CBGD CC(C)(CO)CCNC(=O)c1ccc(B(O)O)c(F)c1 584996107 XSCWRKNTMRHMPU-UHFFFAOYSA-N 283.108 -0.356 50 20 CBGD CC(C)[C@@H](NCc1ccc(B(O)O)cc1)C(=O)N(C)C 585018201 IGCAGAHADARQTP-CYBMUJFWSA-N 278.161 -0.431 50 20 CBGD CNC(=O)[C@H]1CCCC[C@H]1NCc1ccccc1B(O)O 585029031 BFMQIKDHJFTUEC-GXTWGEPZSA-N 290.172 -0.239 50 20 CBGD CC(C)C(=O)N1CC[C@H](NCc2ccc(B(O)O)o2)C1 585031397 ULVUCAGARRHFCA-JTQLQIEISA-N 280.133 -0.694 50 20 CBGD COCC1(CNCc2ccc(B(O)O)o2)CCC1 585041020 BZVGVYCDTGTMPP-UHFFFAOYSA-N 253.107 -0.134 50 20 CBGD O=C(NCB(O)O)c1c[nH]nc1-c1ccc(F)cc1 585056385 UJLYISKNPAEVOA-UHFFFAOYSA-N 263.037 -0.042 50 20 CBGD CN1CC[C@@](O)(CNS(=O)(=O)CCCCl)C1 702554394 VMSOMHXJOKCEIM-SECBINFHSA-N 270.782 -0.399 50 20 CBGD Cc1nc(S(=O)(=O)NNC(=O)NCC2CC2)cn1C 727112278 ABIVQAZHUGDLGL-UHFFFAOYSA-N 287.345 -0.369 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)Cn1cccn1 730778380 HEDUPCYHSMDYLZ-UHFFFAOYSA-N 290.279 -0.185 50 20 CBGD CCCCN(C)CCNC(=O)NNC(=O)C(=O)NC1CC1 732892257 YOEZPNXDKZZTOK-UHFFFAOYSA-N 299.375 -0.673 50 20 CBGD CCC(=O)N1CCC[C@@H](C(=O)NNC(=O)CN(C)C)C1 733359961 ZKEUQLXSAQPCRL-SNVBAGLBSA-N 284.360 -0.656 50 20 CBGD C[C@H](C#N)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 733887126 ZDWSWDIMYYIOQN-MRVPVSSYSA-N 285.267 -0.417 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C)C1=O 738332227 NRLLQJPJVIJPKA-RKDXNWHRSA-N 270.333 -0.905 50 20 CBGD NC(=O)C(=O)NN=Cc1c[nH]c2ccc(C(=O)O)cc12 739149897 XQGOVNNMICZZJA-UHFFFAOYSA-N 274.236 -0.199 50 20 CBGD CC(C)OCCS(=O)(=O)NNC(=O)NCC1CC1 749013099 YKBGSURKNLDHBC-UHFFFAOYSA-N 279.362 -0.045 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)Cc2cnn(C)c2)n1 750719428 WQGPATDDSWGLIU-UHFFFAOYSA-N 290.327 -0.376 50 20 CBGD CC(C)SCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758048169 QHCZHJSNXOQDBK-ZETCQYMHSA-N 297.402 -0.787 50 20 CBGD C=CCn1c(=O)n(CC=C)c(=O)n(C/C=C\C#N)c1=O 763297507 GBMCMVGCRSPPDU-WAYWQWQTSA-N 274.280 -0.377 50 20 CBGD Cc1ccccc1CC(=O)NNC(=O)[C@H]1CCC(=O)N1 763688647 ANPJLENWQFNGED-LLVKDONJSA-N 275.308 -0.036 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cccnc1N 764687282 OKDGCHFYGIRLLO-SSDOTTSWSA-N 285.329 -0.948 50 20 CBGD Cn1cc([C@H](O)C(=O)NNC(=O)c2ccccc2)cn1 773690405 NBQHHUFKYRVXEH-NSHDSACASA-N 274.280 -0.085 50 20 CBGD C[C@H](O)[C@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 780359445 MKVLPKCBVDUTTK-WPRPVWTQSA-N 255.318 -0.754 50 20 CBGD COc1cccc(NNC(=O)[C@H](C)S(C)(=O)=O)n1 780769371 GQNCXDKPBDHVJN-ZETCQYMHSA-N 273.314 -0.034 50 20 CBGD Cc1[nH]c(C=NNC(=O)C(=O)NC2CC2)cc1C(=O)O 800809135 CKYNRGGHZUHNIJ-UHFFFAOYSA-N 278.268 -0.250 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1cnns1 802034138 BJHWIDABDJUSMV-UHFFFAOYSA-N 264.270 -0.179 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CCCOC1 818400709 ZOKUODMNEDHWHZ-VIFPVBQESA-N 260.290 -0.777 50 20 CBGD CN(C)CC1(C(=O)NNC(=O)c2cnn(C)c2)CC1 820084363 VXYMYULLABCQHZ-UHFFFAOYSA-N 265.317 -0.477 50 20 CBGD C[C@@H]1CCCN(C(=O)C(=O)NN(C)[C@H](C)CO)C1 823934729 JBWYJNHEVRWZRY-NXEZZACHSA-N 257.334 -0.411 50 20 CBGD CC(=O)NNC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 825297124 JOJNEUHCTMJALC-VHSXEESVSA-N 295.320 -0.142 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H]1CCCN1C 825947495 LUZVQUULAOVPCW-AXFHLTTASA-N 284.360 -0.164 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 839735349 YPSHOUJKKMBTNP-HTQZYQBOSA-N 289.288 -0.412 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(O)CCCC1 843974654 CNFMCFSVKQCQPQ-BDAKNGLRSA-N 256.302 -0.136 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(O)CCSCC1 843980859 XNIYEGKFWMIFRI-DTWKUNHWSA-N 288.369 -0.183 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCc2cncn2C1 844133015 QGPXGUHAANBBGB-VIFPVBQESA-N 288.311 -0.062 50 20 CBGD CNC(=S)N(C)NC(=O)Cc1nc(C2CC2)nn1C 854927874 SIFUWCBWRUHASF-UHFFFAOYSA-N 282.373 -0.298 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)c2cc[nH]n2)CCC1 855357202 DGUIBASPAFAZAW-UHFFFAOYSA-N 280.284 -0.096 50 20 CBGD O=C(NC[C@H]1CCCCO1)NNC(=O)c1cn[nH]c1 858279397 ZZSHEXKOFVUDJY-SECBINFHSA-N 267.289 -0.077 50 20 CBGD CCN1C[C@H](C(=O)NNC(=O)c2cn[nH]c2)CC1=O 862473602 WSBMKTVTOWXDMQ-SSDOTTSWSA-N 265.273 -0.961 50 20 CBGD CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)[C@H]1CCC(=O)N1 863151322 KPONWQYTVYRDNP-VHSXEESVSA-N 280.328 -0.184 50 20 CBGD C[C@H]1COCCCN1C(=O)c1cccc(B(O)O)c1 863875598 BYSPRVXNNRGPCT-JTQLQIEISA-N 263.102 -0.383 50 20 CBGD C[C@H](CBr)CN1C[C@@H](C(N)=O)[C@@H](C(N)=O)C1 878973202 OJLUATCJIIYPOI-PRJMDXOYSA-N 292.177 -0.464 50 20 CBGD Cc1cc(C(=O)NNC(=O)C2CCOCC2)ncn1 883066785 JOBONCNNFMDLQB-UHFFFAOYSA-N 264.285 -0.027 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1COc2ccc(O)cc2O1 910148189 YCFKJNMGZRVBSH-PRHODGIISA-N 282.296 -0.124 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)OCC(F)(F)F)C1=O 912597545 VNVVPTOXEDHFFV-YFKPBYRVSA-N 299.205 -0.837 50 20 CBGD COc1ccc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 913223826 FRDWWAYHNDVHOU-NSHDSACASA-N 291.307 -0.336 50 20 CBGD CS[C@H](C)CC(=O)NNC(=O)CN1CCCC1=O 913731370 FXPAFPOMSMROJA-MRVPVSSYSA-N 273.358 -0.102 50 20 CBGD C[C@H](C(=O)NNC(=O)C(C)(C)C)S(C)(=O)=O 917180637 DNQAPBONQZNUSK-ZCFIWIBFSA-N 250.320 -0.387 50 20 CBGD COCCN1C(=O)c2ccc(C(=O)NN)cc2S1(=O)=O 917609637 CFZMSTRYEZVBBS-UHFFFAOYSA-N 299.308 -0.919 50 20 CBGD C[C@@H](CN1CCCC1=O)NC(=O)NNC(=O)c1ccc[nH]1 918099890 FUHIVAQFHLOIPP-VIFPVBQESA-N 293.327 -0.030 50 20 CBGD CC(C)NC(=O)NNS(=O)(=O)c1cn(C)cn1 1115937380 JPGLFMQWESMKTC-UHFFFAOYSA-N 261.307 -0.679 50 20 CBGD CNc1snc(C)c1C(=O)NNC(=O)C(=O)NC1CC1 1248521901 QSHFWZQPRZXQDU-UHFFFAOYSA-N 297.340 -0.467 50 20 CBGD O=C(NNC(=O)c1ccc[nH]1)NOC[C@H]1CCOC1 1255624233 JQKVMNPTMZLPPN-QMMMGPOBSA-N 268.273 -0.073 50 20 CBGD Cn1ccnc(NNC(=O)[C@H]2CCc3c[nH]nc3C2)c1=O 1318975074 XMJYKPWTTJDGIF-QMMMGPOBSA-N 288.311 -0.248 50 20 CBGD NC(=O)[C@@H]1CC[C@@H](CNC(=O)NNc2cccnn2)O1 1319284217 MJHRTQYHRDLTPI-YUMQZZPRSA-N 280.288 -0.864 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@H]1CC(=O)N(C2CC2)C1 1319945751 JEPTXXDTTTYWQQ-SECBINFHSA-N 298.343 -0.636 50 20 CBGD Cc1nnc(NNC(=O)CC2OCCCO2)nc1O 1321289511 ZGDAQLXMYWUWRG-UHFFFAOYSA-N 269.261 -0.518 50 20 CBGD CC1(CC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1324592255 MRWNUHAGIDHBNF-MRVPVSSYSA-N 274.342 -0.241 50 20 CBGD O=C(c1cnc2[nH]c(O)nc2c1)N1CC[C@@H](B(O)O)C1 1329291892 HBVOXMTYOZRMTD-SSDOTTSWSA-N 276.061 -0.648 50 20 CBGD Cc1cc(=NNC(=O)[C@]2(C)C[C@@H](O)CN2)cc[nH]1 1574144041 IPQGJROTELADQY-PWSUYJOCSA-N 250.302 -0.632 50 20 CBGD O=C(O)[C@@]1(C(=O)NNc2ncccn2)CCCO1 1574633711 ZFOXUKHCEAFXTE-JTQLQIEISA-N 252.230 -0.447 50 20 CBGD C[C@H](C(=O)NN(C)C(=O)N1CCNCC1)c1cnccn1 1575069179 KDMWBVIPJQCHTA-JTQLQIEISA-N 292.343 -0.432 50 20 CBGD COC(=O)[C@H](NNC(=O)C(=O)O)c1cccc(C#N)c1 1598708210 AWOFKNYQXJRGAH-SECBINFHSA-N 277.236 -0.522 50 20 CBGD O=C(O)[C@H]1C[C@@H](O)CN(S(=O)(=O)CCCCl)C1 1601766958 CGGGQBRXYDJSQF-JGVFFNPUSA-N 285.749 -0.288 50 20 CBGD CS(=O)(=O)SCCNC(=O)c1cc(C(=O)O)on1 1607376231 SHUUNQXOUFBUCI-UHFFFAOYSA-N 294.310 -0.205 50 20 CBGD O=C(CNC(=O)c1ccco1)NN[C@@H](C(=O)O)C1CC1 1610665207 FTESLYASTFWUDW-SNVBAGLBSA-N 281.268 -0.507 50 20 CBGD CCO[C@@H]1C[C@@H]1C(=O)NN=Cc1cn(CC(=O)O)nn1 1776102467 QQSKNRSOHNYIQO-DTWKUNHWSA-N 281.272 -0.762 50 20 CBGD COc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1 8392073 KIMYDVDDBKVLMF-UHFFFAOYSA-N 277.280 -0.265 50 20 CBGD O=C(CCN1CCOC1=O)NNC(=O)NCc1ccco1 65148418 VRNAUZSCXIVXHV-UHFFFAOYSA-N 296.283 -0.048 50 20 CBGD CC(C)OCC(=O)NNC(=O)CNC(=O)c1cccnc1 268650534 ATQYKURIIFCRLH-UHFFFAOYSA-N 294.311 -0.616 50 20 CBGD COc1ccc(O)c(C(=O)NNC(=O)C(C)(C)O)c1 276273856 OVMWXBMJGJRAMO-UHFFFAOYSA-N 268.269 -0.067 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCCN2C2CC2)cn1 278992928 JOWDDZPEMDWTJV-NSHDSACASA-N 277.328 -0.192 50 20 CBGD C[C@@H](O)C(=O)NNC(=O)COc1ccc(C#N)cc1 294443171 SGRFVKIJKAWZED-MRVPVSSYSA-N 263.253 -0.535 50 20 CBGD C[C@@H](CNC(=O)c1cccc(B(O)O)c1)CN1CCCC1 584931915 KYVXUHVKUGMUGB-LBPRGKRZSA-N 290.172 -0.172 50 20 CBGD CC[C@H](C)N(C)CCNC(=O)c1ccc(B(O)O)c(F)c1 584940395 UXEOINQQJMCJQG-JTQLQIEISA-N 296.151 -0.034 50 20 CBGD C[C@@H]1OCCN(C(=O)c2cc(B(O)O)ccc2F)[C@H]1C 584962160 BFMKOPZNIFQWLN-IUCAKERBSA-N 281.092 -0.245 50 20 CBGD CO[C@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 584970380 XYVHMLIUSNLIKF-JTQLQIEISA-N 281.092 -0.244 50 20 CBGD CN1CC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 584971265 NHOCSXRGKUZYNV-FZMZJTMJSA-N 288.156 -0.467 50 20 CBGD C[C@H](CCCO)CNC(=O)c1cc(B(O)O)ccc1F 584994873 FVFQOSHACOAHQU-SECBINFHSA-N 283.108 -0.356 50 20 CBGD C[C@H](CO)[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 585006814 OYOLFDQQCRDXHO-RISCZKNCSA-N 291.156 -0.011 50 20 CBGD CC(C)N1C[C@@H](NCc2cccc(B(O)O)c2)CC1=O 585028352 JRZJPRGIQOLNBG-ZDUSSCGKSA-N 276.145 -0.535 50 20 CBGD C[C@@H]1CN(C2CC2)C[C@@H]1NCc1ccc(B(O)O)o1 585028641 NZMQXSWKHGHBGS-SKDRFNHKSA-N 264.134 -0.468 50 20 CBGD CCN1C[C@H](NCc2ccc(B(O)O)cc2F)CC1=O 585043969 WGKSLSRYSUQTTR-LLVKDONJSA-N 280.108 -0.784 50 20 CBGD O=C(NCB(O)O)[C@@H]1CCCN1C(=O)Cc1ccccc1 585056219 RIBODCMEXHJBAR-LBPRGKRZSA-N 290.128 -0.652 50 20 CBGD O=C(NNC(=O)c1ncccc1O)C(=O)N1CCCC1 725895666 LQLGSLLNLPSKGF-UHFFFAOYSA-N 278.268 -0.829 50 20 CBGD O=C(NCCCn1cncn1)NNc1cccnn1 736379072 RMCBLQTYTRXWQF-UHFFFAOYSA-N 262.277 -0.216 50 20 CBGD COc1cc(C)nc(NNC(=O)C2(C(N)=O)CCC2)n1 747920948 CUCYQNGWNUETHE-UHFFFAOYSA-N 279.300 -0.108 50 20 CBGD COCC(=O)NNC(=O)Nc1ccc(-n2nccn2)nc1 755947769 PAZGAUNTMWPUQU-UHFFFAOYSA-N 291.271 -0.539 50 20 CBGD COCC(C)(C)C(=O)NNc1ccc(C(N)=O)nn1 756783935 YLTQWMDEXKOTKS-UHFFFAOYSA-N 267.289 -0.309 50 20 CBGD Cn1c(=O)oc2c(NC(=O)NNC(=O)CO)cccc21 757757702 HHUKBTUKXSRAOH-UHFFFAOYSA-N 280.240 -0.724 50 20 CBGD CCC1(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CCC1 758047899 OOAAIQRDPOSZAD-MRVPVSSYSA-N 291.373 -0.348 50 20 CBGD COC(=O)c1ccc(NNC(=O)CSCC(N)=O)nc1 759730165 DGYNHFXGWQEMLZ-UHFFFAOYSA-N 298.324 -0.470 50 20 CBGD NC(=O)[C@H]1CC[C@H](CNC(=O)NNC(=O)C2CCCC2)O1 760204193 OJDJQESIYPQZON-NXEZZACHSA-N 298.343 -0.460 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCCF 767941773 CITQRNAEQQPANN-UHFFFAOYSA-N 286.263 -0.301 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@](C)(O)C(C)C 771107629 WHHJLCGCTNDUOE-NSHDSACASA-N 259.306 -0.935 50 20 CBGD CCNC(=O)N(C)NC(=O)CS(=O)(=O)C(C)C 780712491 WHUQNYQDQAXHLB-UHFFFAOYSA-N 265.335 -0.498 50 20 CBGD Cn1cc(C(=O)NNC(=O)NC[C@H]2COC(C)(C)O2)cn1 783285098 CBBMWDYNYHLEQK-VIFPVBQESA-N 297.315 -0.484 50 20 CBGD C[C@H](OC(=O)/C(C#N)=C/C1CC1)C(=O)NC(N)=O 786678926 IOYOLDFGCAYQSQ-VWOAIRDFSA-N 251.242 -0.027 50 20 CBGD C[C@@]1(CCC(=O)NNC(=O)NC2CC2)CCC(=O)N1 793202201 URNDXLZJJXGTFA-LBPRGKRZSA-N 268.317 -0.072 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)N=c1cc[nH]cc1 802033512 AUAMJBNZNAJYCY-UHFFFAOYSA-N 277.284 -0.721 50 20 CBGD CN(C)CC(=O)NNC(=O)Cc1ccc2c[nH]nc2c1 806770967 HJHPNQRNVBMELR-UHFFFAOYSA-N 275.312 -0.186 50 20 CBGD COC(=O)c1cc(C=NNC(=O)Cc2cc[nH]n2)on1 814956813 MEECUVAGYUUBGT-UHFFFAOYSA-N 277.240 -0.123 50 20 CBGD C=CCCn1cc(C(=O)NNC(=O)CN(C)C)nn1 819876539 WUZHKWDSECXLRA-UHFFFAOYSA-N 266.305 -0.823 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccn(CCn2cccn2)n1 823917530 JPSWGLUCZPQDLR-NSHDSACASA-N 292.343 -0.263 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H](CO)CC1CC1 827276046 YCRSVCFCQIOGSA-GDPRMGEGSA-N 285.344 -0.097 50 20 CBGD O=C1CSC[C@@H](C(=O)NNc2ccc(F)cn2)N1 828916177 XPHMWVZGVQGVPN-ZETCQYMHSA-N 270.289 -0.105 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)NCCN)cc1 841920360 GPAIDYOUWGFUSR-UHFFFAOYSA-N 266.301 -0.337 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CN1CCCCC1=O 843642834 HACGYGOIQJNJJX-ZJUUUORDSA-N 283.328 -0.429 50 20 CBGD CC(=O)OC(C)(C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843970789 LGQCGCCPAGDVEO-CBAPKCEASA-N 272.301 -0.100 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CNCC(F)(F)F 843971559 CHJYMRPKFSUISN-RQJHMYQMSA-N 283.250 -0.289 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)NC1CC1 845299732 QGKLVBBIIQBQHJ-UHFFFAOYSA-N 256.306 -0.359 50 20 CBGD NC(=O)c1ncn(CC(=O)NCC(Cl)Cl)n1 846146939 SYCUFYJCUBZLQG-UHFFFAOYSA-N 266.088 -0.703 50 20 CBGD CCOC(=O)[C@](C)(O)CNS(=O)(=O)CCl 849387805 WSNFWKMMQKSXFA-SSDOTTSWSA-N 259.711 -0.584 50 20 CBGD CC[C@@H](CO)C(=O)NN(C)C(=S)NCCCOC 854283852 MXYGXDUQXFDJLJ-VIFPVBQESA-N 277.390 -0.121 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 858125714 LNPUMQFFIVYTNK-SFYZADRCSA-N 270.358 -0.418 50 20 CBGD C[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)C1CCC1 863465956 NFQMNQLYLJNLBH-SSDOTTSWSA-N 262.331 -0.385 50 20 CBGD O=C(NOCCC(F)(F)F)c1ccc(B(O)O)cc1 863879958 JCWHVWZSKHQQGN-UHFFFAOYSA-N 277.007 -0.020 50 20 CBGD N#CCc1cccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)c1 864232980 SWDTXXZEOWHURA-LLVKDONJSA-N 294.141 -0.010 50 20 CBGD COCCn1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cn1 869069043 XWXPPJXCHLKGBU-MWLCHTKSSA-N 296.327 -0.285 50 20 CBGD COCCOCC(=O)NNC(=O)CSC(F)F 869904938 FMCDIWSWJVVTFL-UHFFFAOYSA-N 272.273 -0.247 50 20 CBGD C#CCCCC(=O)NNC(=O)/C=C\CN1CCOCC1 887149423 VXPGUYOTBQNMFR-ALCCZGGFSA-N 279.340 -0.174 50 20 CBGD CN(C)CC(=O)NNC(=O)CN(C)CC(C)(C)C 896127805 BJLNMZSPECKZRB-UHFFFAOYSA-N 258.366 -0.327 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@H]1CCNC(=O)C1 899996809 UDAUCJAAGZZEMM-ZETCQYMHSA-N 272.374 -0.194 50 20 CBGD O=C(NC[C@@H]1COCO1)NNC(=O)[C@@H]1CCCCO1 923841874 AKFUBFRBXUQKPY-BDAKNGLRSA-N 273.289 -0.741 50 20 CBGD CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1cnccn1 1116156911 XTDUZHLQUYZICC-UHFFFAOYSA-N 288.267 -0.239 50 20 CBGD O=C(NCCCn1cncn1)NNC(=O)c1ccc[nH]1 1119232765 JSOZSFFUFZWVLD-UHFFFAOYSA-N 277.288 -0.360 50 20 CBGD O=C(CCc1cn[nH]c1)NNC(=O)C(=O)N1CCCC1 1119526720 FEIMXWQUZCNGHH-UHFFFAOYSA-N 279.300 -0.888 50 20 CBGD Cn1ncc([N+](=O)[O-])c1C(=O)NNC(=O)C1CCC1 1253913312 PYCURMVTQVNFHU-UHFFFAOYSA-N 267.245 -0.111 50 20 CBGD Cc1ncc(CNC(=O)NNC(=O)C(=O)NC2CC2)s1 1318056692 JPYDPAHORJPTMJ-UHFFFAOYSA-N 297.340 -0.439 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)[C@@H]3CCOC3)nc21 1319289918 IGNFWZNDILIZGF-ZCFIWIBFSA-N 278.272 -0.452 50 20 CBGD O=C(NNc1ncc(F)cn1)C1(O)CCOCC1 1320389502 GQZHBBFLLSRVSF-UHFFFAOYSA-N 256.237 -0.400 50 20 CBGD Cc1cc(NC(=O)C(=O)NNC(=O)CO)cnc1Cl 1321151137 BGBXEYXZRVPMTF-UHFFFAOYSA-N 286.675 -0.878 50 20 CBGD Cn1nc(C(=O)NNC(=O)c2cccnc2)ccc1=O 1321501811 KLILXCHBKKUKDR-UHFFFAOYSA-N 273.252 -0.750 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)NC1CCSCC1 1322242523 ZQTBBFJNAZEWFH-UHFFFAOYSA-N 286.357 -0.509 50 20 CBGD Cc1nccn1CCNC(=O)NNC(=O)c1cnn(C)c1 1323683985 LAUMFKUWVDNPIF-UHFFFAOYSA-N 291.315 -0.431 50 20 CBGD O=C(CCl)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 1324706344 JPVIMXIDSCSTKO-JTQLQIEISA-N 289.763 -0.726 50 20 CBGD N#CC1(C(=O)NNC(=O)N=c2cc[nH]cc2)CCOCC1 1327173109 UJYDMSCPBOZEPI-UHFFFAOYSA-N 289.295 -0.023 50 20 CBGD COCn1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)n1 1328782823 ZIACBFHUHBCKKQ-UHFFFAOYSA-N 278.272 -0.786 50 20 CBGD Cc1nc(O)[nH]c1C(=O)NNC(=O)N1CCOCC1 1329899846 XQPCVNRRCQFRCX-UHFFFAOYSA-N 269.261 -0.890 50 20 CBGD O=C(NNC(=O)C1CCNCC1)c1nccs1 1331462175 XILZULPPITZDQA-UHFFFAOYSA-N 254.315 -0.096 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1ncccn1 1333247750 JCBOHLHTPINOQE-VIFPVBQESA-N 297.315 -0.642 50 20 CBGD O=C(C[C@H]1CCC(=O)N1)NNC(=O)CC(F)(F)F 1334441229 SPIFGPLEUXJQEZ-RXMQYKEDSA-N 267.207 -0.245 50 20 CBGD O=C(NNC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccnnc1 1335920834 PPRTYRLYSXDKCD-VIFPVBQESA-N 289.295 -0.752 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCC[C@H](F)C1 1349081881 LUNAJAZQMIOARU-NKWVEPMBSA-N 261.253 -0.230 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc(OCC(=O)O)cc1 1589149721 BGGKMCIQZVHFGA-UHFFFAOYSA-N 295.251 -0.744 50 20 CBGD COC(=O)N(C)NC(=O)c1cc(C(=O)O)nn1C 1593856067 WALVUCAMWSCBBS-UHFFFAOYSA-N 256.218 -0.539 50 20 CBGD Cc1cccnc1C(=O)NNC(=O)COCC(=O)O 1594420568 LWIOWLQSSDGFJJ-UHFFFAOYSA-N 267.241 -0.748 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CC[C@H](C(=O)O)O1 1605492865 FMOHAHVMBDBDQX-NKWVEPMBSA-N 259.262 -0.689 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCC[C@H](O)[C@H]1C(=O)O 1605614894 ALTMVCSZWUVLCQ-GOPXOUGQSA-N 268.269 -0.133 50 20 CBGD COC(=O)NNC(=O)Cc1ccc(C(=O)O)nc1 1606495170 WYESQENXJWXUOC-UHFFFAOYSA-N 253.214 -0.291 50 20 CBGD CO[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)[C@@H](C(=O)O)C1 1610236619 GJUBZTLWTGQMKJ-NXEZZACHSA-N 299.327 -0.892 50 20 CBGD COCC(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1842688655 RUNNFHIVNNJHIX-VIFPVBQESA-N 290.747 -0.564 50 20 CBGD CCS(=O)(=O)N[C@@H](CCSC)C(=O)NN 37389405 FPOODXKJGVPZFI-LURJTMIESA-N 255.365 -0.963 50 20 CBGD CNC(=O)NNC(=O)c1ccc([S@@](C)=O)cc1 48950059 BVFSMQYREGMULX-KRWDZBQOSA-N 255.299 -0.002 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)Cc2ccccc2F)C1 81369173 KFKJZHFJPDOWIX-GFCCVEGCSA-N 295.314 -0.154 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(C(C)=O)CC1 109824538 HZPNNDSFCKGYFQ-VIFPVBQESA-N 270.333 -0.904 50 20 CBGD CC[C@H]1C(=O)NCCN1S(=O)(=O)CBr 127457782 ULIICTRSOKBYDN-LURJTMIESA-N 285.163 -0.121 50 20 CBGD Cc1cc(F)ccc1NNC(=O)C(=O)NCC(=O)N(C)C 189179763 BPHZHUHJCYBIFT-UHFFFAOYSA-N 296.302 -0.218 50 20 CBGD C[C@H]1CCNC(=O)[C@H]1NC(=O)NNc1cccnn1 194067838 RLLMKTVHISCRCG-CBAPKCEASA-N 264.289 -0.373 50 20 CBGD CN1CC[C@H](NC(=O)NNC(=O)C2CCC2)C1=O 265797799 MSSVVGKAALXEBF-QMMMGPOBSA-N 254.290 -0.652 50 20 CBGD O=C(NNC(=O)c1c(O)cccc1F)C(=O)N1CCCC1 274640338 FDQMPSFDNDMFBV-UHFFFAOYSA-N 295.270 -0.085 50 20 CBGD CCOC(=O)NCCC(=O)NNC(=O)c1cccn1C 298410049 BJKXZLXNCNVTIF-UHFFFAOYSA-N 282.300 -0.078 50 20 CBGD COCCN1C[C@H](C(=O)NNC(=O)NC(C)C)CC1=O 299310335 SJTIWKMPBNXGEZ-SECBINFHSA-N 286.332 -0.780 50 20 CBGD CCOC(=O)N[C@H](C(=O)NNC(=O)CN(C)C)C(C)C 491426725 FBSUPFXGEHSAPJ-JTQLQIEISA-N 288.348 -0.534 50 20 CBGD O=C(NC[C@H]1CCOC1)c1ccc(B(O)O)c(F)c1 584934385 ROLKWVRMOAEION-MRVPVSSYSA-N 267.065 -0.728 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@]12CCOC2 584994033 MMRXXXICJYFUIB-AWEZNQCLSA-N 275.113 -0.239 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@H]2[C@H](C1)C2(F)F 585004950 SCVSTZZAEIQPPH-UWVGGRQHSA-N 267.040 -0.297 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)cc1)[C@@H]1CN(C)CCO1 585029432 YNCJXBKJLDQRKN-RISCZKNCSA-N 278.161 -0.825 50 20 CBGD OB(O)c1ccccc1CNCCN1CCSCC1 585032603 JVRUEPPTCGTLNF-UHFFFAOYSA-N 280.202 -0.495 50 20 CBGD O=C(NCB(O)O)c1c[nH]nc1-c1ccccc1F 585057097 LCXMSQANIGVXEO-UHFFFAOYSA-N 263.037 -0.042 50 20 CBGD COc1cccc(CO[C@@H](C)C(=O)NCB(O)O)c1 585063051 YPWGAVKPBVYDDI-VIFPVBQESA-N 267.090 -0.272 50 20 CBGD C[C@H](C(=O)NNC(=O)CC(F)(F)F)N1CCN(C)CC1 725889475 VTIUGJBLYBVVRD-MRVPVSSYSA-N 296.293 -0.278 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccncc1 728436658 HVOOONVJBMWVCL-QMMMGPOBSA-N 270.314 -0.531 50 20 CBGD O=C(NNC(=O)c1ccc([N+](=O)[O-])s1)c1cnn[nH]1 729455532 JWJCJYHRFLHUCE-UHFFFAOYSA-N 282.241 -0.151 50 20 CBGD CC(C)CC(=O)NNC(=O)NC[C@H]1CN(C)CCN1C 732253098 DCCKWKBYQCKEEC-NSHDSACASA-N 285.392 -0.391 50 20 CBGD CC(C)(C(=O)NNC(=O)NCC1CC1)S(C)(=O)=O 733139788 RHSOXUQPVNONBD-UHFFFAOYSA-N 277.346 -0.450 50 20 CBGD C[C@H](C(=O)N(C)CC(=O)NNC(=O)N(C)C)n1cccn1 746014658 JJJWKOODMSQSFM-SECBINFHSA-N 296.331 -0.795 50 20 CBGD C[C@H]1CN(C)CC1=NNC(=O)C(=O)N1CCCC1 752165191 OJLAAWHVQGAZHQ-VIFPVBQESA-N 252.318 -0.338 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)[C@H]2CCC(=O)N2)n1 753683058 ZKUGFFZGHWKKNZ-SCSAIBSYSA-N 270.680 -0.566 50 20 CBGD O=C(NNC(=O)[C@H]1CC12CCC2)C(=O)NC1CC1 759692290 ADEOIEVYNGSHRA-MRVPVSSYSA-N 251.286 -0.397 50 20 CBGD CO[C@@H](C)C(C)=NNC(=O)[C@H]1CCS(=O)(=O)C1 763148833 GFVHEGJEYVMEKF-IUCAKERBSA-N 262.331 -0.052 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@H]1CN2CCCN1CC2 763959758 VJNKANYZDKLRPV-MRVPVSSYSA-N 294.277 -0.524 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1c(C)cccc1F 764300352 YMNIYFJJEOTSEX-UHFFFAOYSA-N 283.259 -0.134 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(COC)c1 764303841 PKBUVGUJQSBZOF-UHFFFAOYSA-N 295.295 -0.435 50 20 CBGD CCOc1cc(NC(=O)C(=O)NNC(=O)CO)ccc1C 764420860 GKXIKNMHOLYNAQ-UHFFFAOYSA-N 295.295 -0.528 50 20 CBGD CCCOc1ccccc1NC(=O)C(=O)NNC(=O)CO 764428616 IJDNHBNPNXXPRA-UHFFFAOYSA-N 295.295 -0.446 50 20 CBGD CC(C)(C)[C@@H](O)C(=O)NNC(=O)C(=O)N1CCCC1 764947305 MBSOXTLVSUPKES-QMMMGPOBSA-N 271.317 -0.837 50 20 CBGD Cn1cc([C@H](CO)NC(=O)NNC(=O)C(C)(C)C)cn1 778660440 MURXNHGPNUFTCK-VIFPVBQESA-N 283.332 -0.170 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)N1CCCC1 782477827 AGIAPOQCBOYRFG-UHFFFAOYSA-N 250.324 -0.507 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccn(CCOC)n1 784463417 VOZMGCNABSMDSS-UHFFFAOYSA-N 269.305 -0.164 50 20 CBGD C[C@@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)C(C)(C)O 787947518 RWERTJXVVCOJEL-BDAKNGLRSA-N 274.317 -0.511 50 20 CBGD C[C@@H](C(=O)NNC(=O)C(C)(C)O)N1CCSCC1 787947813 YFOZIINVLPBOSM-QMMMGPOBSA-N 275.374 -0.658 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1nc2c(s1)CCCC2 789739708 PPQCNRHSITUBMP-UHFFFAOYSA-N 298.324 -0.900 50 20 CBGD C[S@@](=O)CCNC(=O)NNc1nc2ccccn2n1 790390678 CWEQWDGMJHQRAN-LJQANCHMSA-N 282.329 -0.266 50 20 CBGD CC(C)[C@@H](F)C(=O)NNC(=O)N1CCN(C)CC1 807381631 BFYYOUPELHILFX-SECBINFHSA-N 260.313 -0.031 50 20 CBGD Cc1ccccc1CC(=O)NNC(=O)CN(C)CC(=O)O 821125195 ASHDFLXXNVUYNM-UHFFFAOYSA-N 293.323 -0.299 50 20 CBGD CCNC(=O)N(C)NC(=O)/C=C1/SCC(=O)N1C 821783349 HLUDKKUNLHHMHA-WEVVVXLNSA-N 272.330 -0.275 50 20 CBGD CCN(CCO)NC(=O)[C@@H](NC(=O)OC)C(C)C 823856044 LIZYZNMACASBGY-VIFPVBQESA-N 261.322 -0.288 50 20 CBGD CCN(CCO)NC(=O)c1cnn(CCN(C)C)c1 823893560 NQZCLYWFRXJWIK-UHFFFAOYSA-N 269.349 -0.596 50 20 CBGD C[C@@H](CC(=O)NN)/N=C1/NS(=O)(=O)c2ccccc21 825651639 GBKAREJOLLJGBK-ZETCQYMHSA-N 282.325 -0.506 50 20 CBGD CC(C)(C)NS(=O)(=O)CCNS(=O)(=O)CCl 829927750 XKAPTHRTASVABX-UHFFFAOYSA-N 292.810 -0.180 50 20 CBGD O=C(NNC(=O)C1SCCS1)c1ncon1 832825608 BIWHEYRGSXGAKL-UHFFFAOYSA-N 260.300 -0.363 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnn1C 843648016 OXDDWSFAOZOUMN-JGVFFNPUSA-N 252.274 -0.394 50 20 CBGD Cc1ccn(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(=O)c1 843658338 UVGFSYOTQTVBJT-WDEREUQCSA-N 293.323 -0.271 50 20 CBGD COC(=O)[C@@H]1[C@@H](O)CCCN1S(=O)(=O)CCl 849386160 AGUARGKFKOEGKO-BQBZGAKWSA-N 271.722 -0.489 50 20 CBGD CCn1nc(C)c(C(=O)NN(C)C(=S)NC)n1 854921091 INVPRUANAKLOFW-UHFFFAOYSA-N 256.335 -0.313 50 20 CBGD O=C(NNC(=O)c1cc2n(n1)CCCO2)c1cc[nH]n1 855355813 AWPGTRMCCSLJQT-UHFFFAOYSA-N 276.256 -0.537 50 20 CBGD CN1CCN(CC(=O)NNC(=O)c2cccc(F)n2)CC1 856424499 NLFWBSRTJMMRHQ-UHFFFAOYSA-N 295.318 -0.771 50 20 CBGD O=S(=O)(CBr)NC[C@H]1COCCN1 858628681 JJXQHFUGLIFCQL-LURJTMIESA-N 273.152 -0.753 50 20 CBGD COCCS(=O)(=O)CC(=O)NN[C@@H](C)C(F)(F)F 862310427 XKFCGSLCYPYZBX-LURJTMIESA-N 292.279 -0.381 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1O 862451162 JOGDEOAVRMVRAN-SECBINFHSA-N 277.280 -0.260 50 20 CBGD CSC[C@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862455929 SOQXDTUYTMAQPU-BQBZGAKWSA-N 259.331 -0.589 50 20 CBGD CCCC1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 862457817 REAQCOZZKYUSBN-QMMMGPOBSA-N 253.302 -0.007 50 20 CBGD CC(C[C@H]1CCCC(=O)N1)=NNC(=O)CS(C)(=O)=O 863183536 FCIQJETVMCQQTF-SECBINFHSA-N 289.357 -0.418 50 20 CBGD O=C1OCCN1CCCOc1ccc(B(O)O)cc1 863865464 DXRZEYHCXAQPCV-UHFFFAOYSA-N 265.074 -0.413 50 20 CBGD COC(=O)[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1C 863880100 NYAFZPIEMGSOEF-JOYOIKCWSA-N 291.112 -0.610 50 20 CBGD C[C@@H]1CCOCCN1C(=O)c1cc(B(O)O)ccc1F 867219382 OEAGFHYUFAYONE-SECBINFHSA-N 281.092 -0.244 50 20 CBGD CC[C@@H](SC)C(=O)NNC(=O)COCCOC 869908631 SFTMOCUIPVRXTL-MRVPVSSYSA-N 264.347 -0.062 50 20 CBGD Cc1n[nH]cc1CCCNC(=O)c1cccc(B(O)O)c1 873993827 VIVYAQHMHNFCFL-UHFFFAOYSA-N 287.128 -0.239 50 20 CBGD C=CCOC[C@@H](NCc1cccc(B(O)O)c1)C(=O)O 901810592 MHXZHINENYVJPB-GFCCVEGCSA-N 279.101 -0.888 50 20 CBGD CC[C@H](C)OCC(=O)NNC(=O)CN1CCCC1=O 913731551 MQHVTOXZTKNXDX-VIFPVBQESA-N 271.317 -0.429 50 20 CBGD C[C@@]1(C(=O)NNC(=O)CN2CCCC2=O)CCCCO1 913733257 BSFFFFFQPRCEFX-ZDUSSCGKSA-N 283.328 -0.285 50 20 CBGD CC(=O)NNC(=O)CCS(=O)(=O)C1CCCC1 920429944 HGQYVRZFEJILHD-UHFFFAOYSA-N 262.331 -0.099 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCc2nc[nH]c2C1 929079514 RFRSVGCCXMQQSG-UHFFFAOYSA-N 271.085 -0.712 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(C)nn1C 1116119521 LSVNNTFOPQFDLR-UHFFFAOYSA-N 295.343 -0.206 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)[C@H]3CCCO3)nc21 1116317215 FRWNAIBMPJFHLI-SSDOTTSWSA-N 278.272 -0.309 50 20 CBGD CN(C)C(=O)CCCC(=O)NNC(=O)C1CCOCC1 1119618224 CNKCQDSTWYEFJS-UHFFFAOYSA-N 285.344 -0.181 50 20 CBGD Cc1nc(S(=O)(=O)NNC(=O)c2cccn2C)cn1C 1251440283 KDZYXQVYNHDTTR-UHFFFAOYSA-N 297.340 -0.310 50 20 CBGD O=C(NNC(=O)c1cccc(F)n1)NNC(=O)C1CCC1 1261642338 FAWNAHAPUVXFFI-UHFFFAOYSA-N 295.274 -0.004 50 20 CBGD Cc1c(C(=O)NNC(=O)NCc2ccco2)nnn1C 1319068306 XIBYRTPIEIFFDI-UHFFFAOYSA-N 278.272 -0.139 50 20 CBGD O=C(NCC1CC1)C(=O)NNC(=O)c1ccncc1 1320781698 GSQLWZUFKYOYQZ-UHFFFAOYSA-N 262.269 -0.631 50 20 CBGD CNC(=O)NNC(=O)c1c(C)nn(C)c1-n1cc(C)cn1 1324215447 DXHOHBAZJWHFDH-UHFFFAOYSA-N 291.315 -0.204 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CC1(O)CCOCC1 1324302928 WLNIIAWGXPMDJU-SNVBAGLBSA-N 287.360 -0.594 50 20 CBGD NC(=O)N1CCC[C@@H](C(=O)NNc2ncncc2F)C1 1326368091 WNJWVJBCCSDWDK-SSDOTTSWSA-N 282.279 -0.151 50 20 CBGD C[C@H](NC(=S)NNC(=O)c1cnn(C)c1N)C1CC1 1328356091 DTUMPSFVIPGRDO-LURJTMIESA-N 282.373 -0.090 50 20 CBGD Cc1sc(=O)n(CCC(=O)N2CC[C@@H](B(O)O)C2)c1C 1329213902 BHJALAPSAJUNSI-SNVBAGLBSA-N 298.173 -0.008 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)COCC1CC1 1329637707 WATPTQOPPSJCES-ZETCQYMHSA-N 273.289 -0.695 50 20 CBGD CNC(=O)CCCCC(=O)NNC(=O)c1cc[nH]n1 1330910865 ORGBWXDWSOXHPK-UHFFFAOYSA-N 267.289 -0.523 50 20 CBGD O=C(CCO)NNC(=O)Nc1ccc2c(c1)OCCO2 1342672742 CYORFGLKRXUQQD-UHFFFAOYSA-N 281.268 -0.007 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cc(CN(C)C)on1 1350778536 NEKGSHDWIKMCGZ-QMMMGPOBSA-N 256.306 -0.306 50 20 CBGD O=C(NNc1ccncn1)[C@@]12CNC[C@@H]1CCOC2 1580739759 MYLUYALEASXJSC-JOYOIKCWSA-N 263.301 -0.454 50 20 CBGD C[C@H](C[C@H]1CCOC1)NC(=O)NNC(=O)C(=O)O 1592463935 JSIUXONRPOBSQI-RNFRBKRXSA-N 259.262 -0.784 50 20 CBGD O=C(NN=c1cc[nH]cc1)c1cc(-c2nn[nH]n2)ccn1 1593166506 BQUAFGCEDLUWNZ-UHFFFAOYSA-N 282.267 -0.165 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@]1(C(=O)O)CCCO1 1593797341 HKUVFJBQOJPFBT-SECBINFHSA-N 261.303 -0.913 50 20 CBGD O=C(NNC(=O)c1c[nH]c(C(=O)O)c1)NC1CC1 1601555835 KAZLXKPBWXCCAZ-UHFFFAOYSA-N 252.230 -0.181 50 20 CBGD C[C@]1(CNC(=O)NNC(=O)C(=O)O)CCCS1 1609822487 YUYVNQUFCNCAJJ-SECBINFHSA-N 261.303 -0.313 50 20 CBGD CCOC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 42871486 WSRLCMFYGIGDJY-ZCFIWIBFSA-N 265.291 -0.866 50 20 CBGD CCNC(=O)CNC(=O)NNC(=O)CC(C)(C)C 170884741 OLIUMWWPVBVBDB-UHFFFAOYSA-N 258.322 -0.111 50 20 CBGD O=C(NNC(=O)C1CCC1)N[C@@H]1CCCCNC1=O 264697075 GDCASQWBHSEUFV-SECBINFHSA-N 268.317 -0.214 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1ccc(Cl)nn1 265378629 CBFXBYUUHPHVNM-YFKPBYRVSA-N 293.736 -0.489 50 20 CBGD Cc1ccc(C(=O)NNS(=O)(=O)N2CCOCC2)o1 268892431 UVMQQTOUZGVNSG-UHFFFAOYSA-N 289.313 -0.601 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)CC2OCCCO2)n1 276639915 QOGWWLHUBZJXLG-UHFFFAOYSA-N 296.327 -0.200 50 20 CBGD O=C1CCCC[C@@H](C(=O)NNC(=O)N2CCOCC2)N1 279163566 GLHKDSZOCBSGAW-VIFPVBQESA-N 284.316 -0.882 50 20 CBGD CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)C1CC1 285292028 XLDZRCKZUNRXSC-SNVBAGLBSA-N 253.302 -0.055 50 20 CBGD Cc1cc(C(=O)NNC(=O)COCc2ccnn2C)[nH]n1 285712051 RSMPQVKLNIBBLL-UHFFFAOYSA-N 292.299 -0.571 50 20 CBGD COCCN(C)NC(=O)c1cnc2n(c1=O)CCS2 288377171 IJHVTLUSNCLTKW-UHFFFAOYSA-N 284.341 -0.428 50 20 CBGD CN(NC(=O)[C@H]1COCCN1CC(F)(F)F)C(N)=O 367389962 YJLLUOFPTKTIST-ZCFIWIBFSA-N 284.238 -0.709 50 20 CBGD O=C(NC[C@H]1CCN(C2CC2)C1)c1cccc(B(O)O)c1 584933999 MVQRWLZAPPNGPJ-LLVKDONJSA-N 288.156 -0.420 50 20 CBGD O=C(NCCC1=CCOCC1)c1ccc(B(O)O)c(F)c1 584965621 QVRCEUFETGJIJJ-UHFFFAOYSA-N 293.103 -0.028 50 20 CBGD CC[C@](C)(CNC(=O)c1ccc(B(O)O)cc1)[C@H](C)O 584966122 WLMQUQQHQUHYKP-IINYFYTJSA-N 279.145 -0.107 50 20 CBGD COC[C@@H](NC(=O)c1cccc(B(O)O)c1)[C@H]1CCCO1 584983971 SEKSVMKSHFWQAJ-CHWSQXEVSA-N 293.128 -0.710 50 20 CBGD CCOC1CN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584994448 JNOJWCHYGNHDFV-UHFFFAOYSA-N 267.065 -0.634 50 20 CBGD C[C@H](NCc1ccccc1B(O)O)c1nncn1C 585022314 LYOWUJAJRCTCNT-VIFPVBQESA-N 260.106 -0.654 50 20 CBGD C[C@@H](CNCc1ccc(B(O)O)cc1)CN1CCOCC1 585025291 QHJNEBQGIQAHCH-ZDUSSCGKSA-N 292.188 -0.576 50 20 CBGD C[C@@H]1CN(C2CC2)C[C@@H]1NCc1cccc(B(O)O)c1 585029163 WIWCPZMRGCQOFE-ABAIWWIYSA-N 274.173 -0.061 50 20 CBGD CC(C)C(=O)N1CC[C@H](NCc2ccc(B(O)O)cc2)C1 585031137 ROBOTLJNUDDOJL-AWEZNQCLSA-N 290.172 -0.287 50 20 CBGD C[C@@H]1[C@H](CNCc2ccccc2B(O)O)N(C)CCN1C 585043353 NHTBOVBYHBBQRS-DOMZBBRYSA-N 291.204 -0.910 50 20 CBGD O=S(=O)(NCB(O)O)c1cccc2cnccc12 585054947 VBSWMAQCIBCYIR-UHFFFAOYSA-N 266.087 -0.475 50 20 CBGD Cc1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cn1 585056312 MTOVZKGURMMAFJ-VIFPVBQESA-N 270.119 -0.373 50 20 CBGD Cc1cc(C)cc(N2CC[C@@H](C(=O)NCB(O)O)C2=O)c1 585061682 DGKHGPGBGOQBMR-LBPRGKRZSA-N 290.128 -0.215 50 20 CBGD C[C@@H](C(=O)NNC(=O)C1CCCC1)N1CCN(C)CC1 725883803 QCRWLSVQIIWNRL-NSHDSACASA-N 282.388 -0.040 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(F)c(C(=O)O)c1 738020292 OGFCBTGSGPRNAD-UHFFFAOYSA-N 291.260 -0.354 50 20 CBGD CCN1CCN(CC(=O)NNC(=O)C(C)(C)C)CC1 744384696 PGMAIGJYKPSOFA-UHFFFAOYSA-N 270.377 -0.183 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@@H]1CCCN1S(C)(=O)=O 745139474 IKUBQUDYRSJFRE-QMMMGPOBSA-N 292.361 -0.851 50 20 CBGD Cn1ncc(C(=O)NNC(=O)c2cccc(C#N)c2)c1N 758056274 STJLQNMQKUHVDP-UHFFFAOYSA-N 284.279 -0.051 50 20 CBGD COc1nccnc1NNC(=O)[C@H]1CCN(C)C1 764469670 LJNVSVANBJVSKD-QMMMGPOBSA-N 251.290 -0.120 50 20 CBGD CCOC(C)(C)CNC(=O)NNC(=O)C(=O)NC1CC1 780827288 HFMDONTWWWIWRZ-UHFFFAOYSA-N 286.332 -0.590 50 20 CBGD COC(=O)c1scc(C)c1NC(=O)C(=O)NNC(C)=O 782120750 HCCXZYUDBXIMPF-UHFFFAOYSA-N 299.308 -0.051 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H]2C[C@]2(CO)C1 782604654 LBUXFZVGARFXKI-MISXGVKJSA-N 283.372 -0.117 50 20 CBGD CSC1(C(=O)NNc2ccc(C(N)=O)nn2)CC1 789905058 XLXXNTSQFWOGAR-UHFFFAOYSA-N 267.314 -0.086 50 20 CBGD CCOC(=O)[C@@H](C)[C@@H](C)NCC(=O)NNC(=O)C1CC1 801540926 HHTRPGFKCUPKLY-DTWKUNHWSA-N 285.344 -0.279 50 20 CBGD CSCC[C@H](O)C(=O)NNC(=O)N=c1cc[nH]cc1 802035008 NPQNKBXUYSDZRK-VIFPVBQESA-N 284.341 -0.230 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)CC2CC2)CC1=O 819126626 RMRBBLJSZGMTNW-SECBINFHSA-N 253.302 -0.198 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccn(C)c1=O 831481405 PIEKBUPZVFMQFM-IUCAKERBSA-N 294.311 -0.037 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)[C@@H]2CCCN2C=O)n1 831983708 WTAVHWGXDBSUIT-LURJTMIESA-N 284.707 -0.224 50 20 CBGD C[C@@H]1C[C@H](O)CN(CC(=O)NNC(=O)C(C)(C)C)C1 832718004 OKHYEYRQNBXDMJ-ZJUUUORDSA-N 271.361 -0.117 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1coc(C(N)=O)c1 843970629 IUPURZZKDIHNSO-XPUUQOCRSA-N 281.268 -0.436 50 20 CBGD Cc1ccnn1CC(=O)NNC(=O)Cc1cc[nH]n1 859252695 QXIOFMWESUCNJX-UHFFFAOYSA-N 262.273 -0.695 50 20 CBGD C[C@@H](Oc1ccccc1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862449254 NAEBPAHIDRPFMQ-MWLCHTKSSA-N 291.307 -0.120 50 20 CBGD O=C(COC1CCCCC1)NNC(=O)[C@@H]1CCC(=O)N1 862450954 FHIBDKRASDQYIM-JTQLQIEISA-N 283.328 -0.238 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)C2Cc3ccccc3C2)N1 862459166 ODOAKDBHEQUOOA-GFCCVEGCSA-N 287.319 -0.173 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CC23CCSCC3)N1 862461851 RUWAMNPLBOPKBC-IUCAKERBSA-N 297.380 -0.054 50 20 CBGD CC(C)[C@@H](CN(C)C)NC(=O)c1cccc(B(O)O)c1 865800950 UFYSEACLPWGSEZ-CYBMUJFWSA-N 278.161 -0.318 50 20 CBGD CC[C@@H](NC(C)=O)C(=O)NNC(=S)NCCSC 867162302 KLLVVFANMFNSIJ-MRVPVSSYSA-N 292.430 -0.241 50 20 CBGD COCCOCC(=O)NNC(=O)c1cc(N(C)C)ccn1 869909441 WSQFDUJZMPDEJF-UHFFFAOYSA-N 296.327 -0.428 50 20 CBGD CN1C[C@H](C(=O)NNC(=S)Nc2ccccn2)CC1=O 874956976 WESGGWKKSLNBOI-MRVPVSSYSA-N 293.352 -0.123 50 20 CBGD Cn1nc(C2CC2)cc1S(=O)(=O)N1CC[C@@H](B(O)O)C1 899571157 VRWYPFFUOUNSPJ-SECBINFHSA-N 299.161 -0.465 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)C(=O)NCC1CC1 899996198 PZHJUQBRUXYCBU-UHFFFAOYSA-N 272.374 -0.194 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)cc1)[C@@H](C)C(=O)O 901444944 KPDXEUPYLPTOMP-RKDXNWHRSA-N 251.091 -0.435 50 20 CBGD COC(=O)[C@H](NNC(=O)c1cccnn1)C1CC1 905793576 PUDCVCHPXSXGEC-SECBINFHSA-N 250.258 -0.337 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1c[nH]nc1-c1cnn(C)c1 910161534 VMFMIOFWMRJYPY-MRVPVSSYSA-N 278.316 -0.232 50 20 CBGD CC(=O)NNC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F 1119033585 PXCCCALESSLRRA-PHDIDXHHSA-N 267.207 -0.532 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1ccnc(C)n1 1261833386 WGHOJDBHAAGONB-UHFFFAOYSA-N 270.314 -0.330 50 20 CBGD C=CCCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1318163326 YGNNVXRVBDMJQF-MRVPVSSYSA-N 260.315 -0.465 50 20 CBGD C[C@@H](C(=O)NNc1ccc(C(N)=O)nn1)n1ccnc1 1319072340 SPWQXIDOQUFEJF-ZETCQYMHSA-N 275.272 -0.524 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1C[C@H](OC)C12CCC2 1326786353 JIUSHSDFAPZSNK-SFYZADRCSA-N 285.300 -0.553 50 20 CBGD C[C@H](CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)n1cccn1 1329529010 CKHMXQKKEYHKSF-BDAKNGLRSA-N 279.300 -0.740 50 20 CBGD CC(C)C(=O)NCCCNC(=O)NNC(=O)c1cn[nH]c1 1329746297 SEFKOPOLNYRUOA-UHFFFAOYSA-N 296.331 -0.484 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccncc2Cl)N1 1330107815 HKWNGOVQVYDPKK-QMMMGPOBSA-N 282.687 -0.225 50 20 CBGD CC(=O)CCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1330176538 MSYRNRIMCKRMEH-JTQLQIEISA-N 276.358 -0.152 50 20 CBGD CC1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC(F)(F)C1 1330888602 PYRZNUXHJBRPTD-ZCFIWIBFSA-N 275.255 -0.152 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@@H]1CCCCN1C 1346694835 IMYHYOMBVAZGQM-JTQLQIEISA-N 272.349 -0.162 50 20 CBGD COCC#CC(=O)NNC(=O)NCc1ccco1 1350606279 RSVMEBTVSNNIFQ-UHFFFAOYSA-N 251.242 -0.240 50 20 CBGD O=C(NN=C[C@@H]1CCOC1)[C@H]1CN2CCC[C@@H]2CO1 1549319104 SMAXDQZGHBMHBB-QJPTWQEYSA-N 267.329 -0.012 50 20 CBGD CN(N)C(=O)CNS(=O)(=O)c1c(F)cccc1F 1573877072 BCZODOUTLQUMGC-UHFFFAOYSA-N 279.268 -0.425 50 20 CBGD Cc1ccc(C(=O)/C=C\C(=O)NNC(=O)CN)cc1 1579660319 OGOMGNREVUTJHB-SREVYHEPSA-N 261.281 -0.160 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@H](C)C(=O)O)n[nH]1 1594300595 QDKXGLWYMNVMDF-LURJTMIESA-N 254.246 -0.871 50 20 CBGD Cn1nc(C(=O)O)cc1C(=O)NNC(=O)[C@@H]1CCCCO1 1594567610 BMCRWMFSJPCILL-VIFPVBQESA-N 296.283 -0.552 50 20 CBGD O=C(Cc1ccccn1)NNC(=O)c1cc(C(=O)O)n[nH]1 1594710943 FQRPOJZJOPCNKW-UHFFFAOYSA-N 289.251 -0.493 50 20 CBGD CC[C@H](C)N(CC(=O)O)C(=O)c1cc(B(O)O)ccc1F 1594975354 CZUZEDCTJSFFDA-QMMMGPOBSA-N 297.091 -0.169 50 20 CBGD O=C(O)CSCC(=O)NNC(=O)C1CCOCC1 1595126783 FFBKNKKQFUOGAD-UHFFFAOYSA-N 276.314 -0.622 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNc1ccc(C(=O)O)cn1 1607461204 UZMRTDYMKGXFBJ-YFKPBYRVSA-N 267.245 -0.720 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)c2ccon2)nn1 1776105958 KUFGRAIKTGLFSR-UHFFFAOYSA-N 264.201 -0.885 50 20 CBGD C[C@H](O)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841353712 LCRKIFJQOXWLSJ-IUCAKERBSA-N 290.747 -0.830 50 20 CBGD N#CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847559275 TZVAOGDHBGSSDZ-GUBZILKMSA-N 285.731 -0.298 50 20 CBGD O=C(NCCCn1cccn1)NNC(=O)[C@@H]1CCCO1 79158113 QEENYZNBWOIQSU-JTQLQIEISA-N 281.316 -0.217 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccnc(-n2ccnc2)c1 113423775 UAPLALAIUHWDQQ-UHFFFAOYSA-N 288.311 -0.410 50 20 CBGD C[C@H]1C[C@@H]1C(=O)NNC(=O)CNC(=O)c1cccnc1 122263332 VFGQHHFLQCDEKE-WPRPVWTQSA-N 276.296 -0.385 50 20 CBGD Cn1cc(C(=O)NNC(=O)C2=CCCCO2)cn1 174968495 QYNSCBADUOVZLK-UHFFFAOYSA-N 250.258 -0.125 50 20 CBGD CC(=O)OC(C)(C)C(=O)NNC(=O)c1cnn(C)c1 275699056 QFQLEWKHAYQESA-UHFFFAOYSA-N 268.273 -0.477 50 20 CBGD CC(C)CCC(=O)NNC(=O)[C@@H]1CC[C@H](C(N)=O)O1 280420770 ZCFSFDVODQUOOK-BDAKNGLRSA-N 271.317 -0.397 50 20 CBGD C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)c2cnn(C)c2)O1 281829802 IDQGMLNWZQPKOR-MRTMQBJTSA-N 266.301 -0.005 50 20 CBGD NC(=O)[C@@H]1CC[C@H](CNC(=O)NNc2cccc(F)n2)O1 287049186 MTNBHOUUFRGVSS-SFYZADRCSA-N 297.290 -0.120 50 20 CBGD O=C(CN1CCCS1(=O)=O)NNC(=O)c1ccccc1 298652695 ZNKWVLOUPSGVEM-UHFFFAOYSA-N 297.336 -0.517 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1COCCN1C1CCCC1 369148343 SHEZKQZCBLODJP-NSHDSACASA-N 299.371 -0.452 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CC[C@H](CO)[C@@H](O)C1 491176601 QNAFERLTAFRJEA-VDMZIHNYSA-N 254.286 -0.368 50 20 CBGD CCN(C[C@@H](C)C#N)C(=O)COc1ccc(B(O)O)cc1 584909387 KPUYNZGRTJUQAS-NSHDSACASA-N 290.128 -0.247 50 20 CBGD O=C(NCCC1CCOCC1)c1cccc(B(O)O)c1 584947422 PMTHZSXPKBWYQC-UHFFFAOYSA-N 277.129 -0.087 50 20 CBGD C[C@H](CO)[C@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584962291 CPFRBLPCAHYEBY-SFYZADRCSA-N 269.081 -0.748 50 20 CBGD C[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1CO 584978886 FKWROVRMTAJSDP-JOYOIKCWSA-N 263.102 -0.791 50 20 CBGD O=C(NC[C@H]1[C@@H]2COC[C@H]12)c1ccc(B(O)O)c(F)c1 584989067 KXNOUACGDQHFCT-OWUUHHOZSA-N 279.076 -0.872 50 20 CBGD C=CCC[C@H](CO)NC(=O)c1cccc(B(O)O)c1 584998608 GBFWNMXSIDVMRD-GFCCVEGCSA-N 263.102 -0.577 50 20 CBGD CC(C)[C@@H](CNCc1ccc(B(O)O)o1)N1CCOCC1 585015452 ZGLBHRIJVZXKRD-CYBMUJFWSA-N 296.176 -0.594 50 20 CBGD CCN(CC)[C@@H](C)CNCc1ccc(B(O)O)o1 585018232 SVXUBSVSJDPXJE-JTQLQIEISA-N 254.139 -0.221 50 20 CBGD CCN(C)C(=O)[C@@H](NCc1cccc(B(O)O)c1)C(C)C 585043217 JHQIJRCVVKSYBD-AWEZNQCLSA-N 292.188 -0.041 50 20 CBGD OB(O)c1ccc(CNCC[C@@H]2CCCOC2)o1 585049138 LBELBESIFNSBOT-JTQLQIEISA-N 253.107 -0.134 50 20 CBGD CCNC(=O)NNS(=O)(=O)C[C@H]1CCCO1 735647236 XCKRCQZIMJVVFA-SSDOTTSWSA-N 251.308 -0.681 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1ccccn1 748264579 CSEFXUGGOXBBDY-JTQLQIEISA-N 296.327 -0.037 50 20 CBGD Cc1cc(C(=O)NNC(=O)C2(O)CCSCC2)n[nH]1 765232624 WXWWVRKGPXGDDU-UHFFFAOYSA-N 284.341 -0.263 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C(C)(C)CO 772073760 BKHFEZNDVSYZJR-SSDOTTSWSA-N 260.290 -0.506 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1cccc(C(N)=O)n1 781588345 RZNOZUGRVIMHJQ-UHFFFAOYSA-N 287.279 -0.406 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCCOC2)CC1 788165637 FDVSUNSOVDKRNN-SNVBAGLBSA-N 270.333 -0.599 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cncnc2)CC1 788166930 SFOMHBCCMMTCHC-UHFFFAOYSA-N 264.289 -0.922 50 20 CBGD C=CCNC(=S)NNC(=O)c1cnc2c(c1)nnn2C 798306271 CKWLDUKEXWFYAY-UHFFFAOYSA-N 291.340 -0.342 50 20 CBGD Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NNC(=O)CO 817748467 YJINOESALRQOEF-UHFFFAOYSA-N 267.241 -0.035 50 20 CBGD CN(NC(=O)COCC(=O)NCc1cccnc1)C1CC1 819647195 JFFOGWZWVCAWBY-UHFFFAOYSA-N 292.339 -0.160 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CCCN1C(C)C 827870325 ZBAJUFXABGXBFD-NSHDSACASA-N 287.360 -0.330 50 20 CBGD CC(=NNC(=O)C(F)F)c1cn(CC(=O)O)nn1 833385895 JNIRPIUMXFHSQU-UHFFFAOYSA-N 261.188 -0.532 50 20 CBGD COc1cnc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)nc1 843657348 CULIHKGSQFLOCW-APPZFPTMSA-N 280.284 -0.329 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(C(N)=O)CCC1 843971718 DGZKWOKTYFCBTC-HTQZYQBOSA-N 269.301 -0.786 50 20 CBGD O=C(NNc1cccc(Cl)n1)[C@H]1CCS(=O)(=O)N1 846210941 DOTJFMLVUFPENV-ZCFIWIBFSA-N 290.732 -0.130 50 20 CBGD CCOC(=O)NNC(=O)Cn1cc(C(=O)OC)cn1 858112467 NNZLENQFFUWBDR-UHFFFAOYSA-N 270.245 -0.553 50 20 CBGD C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NNC(=O)c1cn[nH]c1 858296661 SHTRFQYHFVPVQW-KWQFWETISA-N 292.343 -0.164 50 20 CBGD Cn1cc(Cl)c(C(=O)NNC(=O)N2CCOCC2)n1 858905987 MAUCHJYXKNSHAG-UHFFFAOYSA-N 287.707 -0.240 50 20 CBGD Cc1cc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)no1 860235503 VFKJQGUEWFGBGT-ZCFIWIBFSA-N 267.245 -0.586 50 20 CBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 862094906 RRMOAAOGFNAQCB-GUBZILKMSA-N 271.317 -0.671 50 20 CBGD CCCCSCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862450760 ALZWFKAUCHCBFD-QMMMGPOBSA-N 273.358 -0.054 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CCN2C2CCCC2)N1 862467014 KSEXRNYIRRRCJS-GHMZBOCLSA-N 294.355 -0.571 50 20 CBGD CS(=O)(=O)CC(=O)NN=C1CCN2CCC[C@H]12 863187747 RXRVVGUHFPVEAY-SECBINFHSA-N 259.331 -0.629 50 20 CBGD COC(=O)/C(C)=C/COc1ccc(B(O)O)cc1 863866582 WFKMXNXHMCNGTD-VQHVLOKHSA-N 250.059 -0.136 50 20 CBGD C#C[C@@H](NCc1ccc(B(O)O)cc1)[C@H]1CCCO1 863891759 YMYFKXHVGLIPQL-ZIAGYGMSSA-N 259.114 -0.363 50 20 CBGD O=C1NCCC[C@@H]1C(=O)NNC(=O)[C@H]1CCCCO1 868618844 BJYBSHWCXZTGQH-DTWKUNHWSA-N 269.301 -0.771 50 20 CBGD C[C@H](C(=O)NNC(=O)Cc1cccnc1)N(C)C 874371408 OEWGNXXESVLFSI-SECBINFHSA-N 250.302 -0.278 50 20 CBGD CCOCCCNC(=S)NNC(=O)CCN(C)C 916124461 URPGBYSYGYCTCJ-UHFFFAOYSA-N 276.406 -0.140 50 20 CBGD CCCNC(=O)NNC(=O)c1ccc(=O)n(CC)n1 1116031915 QIEDQJZCBOLJEU-UHFFFAOYSA-N 267.289 -0.383 50 20 CBGD COC(=O)C(=O)NN=C1C(=O)Nc2c(C)cccc21 1116191254 GBZUWPSHXPZMPK-UHFFFAOYSA-N 261.237 -0.060 50 20 CBGD COC(=O)C(=O)NNC(=O)NOC/C=C\Cl 1117697724 PWLZAAGZUZXTLQ-IHWYPQMZSA-N 251.626 -0.826 50 20 CBGD O=C(CCCCO)NNC(=O)Cc1ccncc1 1118929911 ABSGSVZUBFMRDS-UHFFFAOYSA-N 251.286 -0.066 50 20 CBGD Cc1ncc2n1C[C@@H](C(=O)N1CC[C@@H](B(O)O)C1)CC2 1119606208 AIMMBWXSCOUSEM-WDEREUQCSA-N 277.133 -0.171 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC[S@](=O)C(C)(C)C 1252438016 IHCAIECULUGKTQ-IBGZPJMESA-N 293.345 -0.963 50 20 CBGD Nc1cnnc(NNC(=O)[C@H]2CCC(=O)N2)c1Cl 1253123453 HUUJQVVETFDGGD-RXMQYKEDSA-N 270.680 -0.566 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=S)Nc2ccccn2)N1 1261916299 ONDTYYJWXLHTCD-ZETCQYMHSA-N 279.325 -0.322 50 20 CBGD CCOCC(=O)NNC(=O)NCc1cn(C)cn1 1262379232 VGAVXWMTKWKGSH-UHFFFAOYSA-N 255.278 -0.713 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C1=CCOCC1 1321047797 YEUZVDXCOWNPEA-UHFFFAOYSA-N 250.258 -0.174 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@](O)(C2CC2)C1 1324807328 NVVLIEJZYQVZQF-ZANVPECISA-N 269.345 -0.221 50 20 CBGD CCCNC(=O)NNC(=O)[C@H]1CCc2nnn(C)c2C1 1330110908 RLDJOCIEPAUGGE-QMMMGPOBSA-N 280.332 -0.340 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)NCCn1cncn1 1330695181 QKFADBHUEYJWJK-UHFFFAOYSA-N 289.299 -0.754 50 20 CBGD CC(=O)C1(C(=O)NNC(=O)C2CCOCC2)CC1 1330842948 ZQPAAULOHDBJBQ-UHFFFAOYSA-N 254.286 -0.070 50 20 CBGD CCN1CCN(CCC(=O)N2CC[C@H](B(O)O)C2)CC1 1331827087 NWLFDMDDGBRVEQ-LBPRGKRZSA-N 283.181 -0.911 50 20 CBGD COCCCOCC(=O)NNC(=O)C1CCOCC1 1331924146 CTNGSJSFNCYLQC-UHFFFAOYSA-N 274.317 -0.387 50 20 CBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNc2ncc(F)cn2)O1 1351507610 MYNRITLGSFUJGM-NKWVEPMBSA-N 269.236 -0.908 50 20 CBGD C[C@H]1C(=O)NCCCN1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1353797431 MYVUXNYXOJYVHW-IVZWLZJFSA-N 298.343 -0.637 50 20 CBGD CC(C)C(=O)NNC(=O)CN[C@@H](C(=O)O)C(C)(C)C 1590938644 JDSQPVHCNDANBV-VIFPVBQESA-N 273.333 -0.121 50 20 CBGD CO[C@H]1CN(CC(=O)NNC(=O)C2CC2)[C@@](C)(C(=O)O)C1 1599131640 OHPQTAOUIMXVHY-NOZJJQNGSA-N 299.327 -0.892 50 20 CBGD N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)O 1601046521 VVIBXUKAFPEEHT-GWZUUTHWSA-N 276.248 -0.139 50 20 CBGD O=C(NC[C@@H]1CCCC1(F)F)NNC(=O)C(=O)O 1601482447 OHEYRSJRMWGBFG-YFKPBYRVSA-N 265.216 -0.163 50 20 CBGD O=C(O)COCC(=O)NNc1cc(O)nc2ncccc12 1606273134 WILDMLRYKCEIFW-UHFFFAOYSA-N 292.251 -0.120 50 20 CBGD Cc1ccc(F)cc1NC(=O)C(=O)NNC(=O)C(=O)O 1607790522 NYHFUPFGNYYLFM-UHFFFAOYSA-N 283.215 -0.695 50 20 CBGD CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)c(O)c1 1609288817 NRXHQHMCSRCWIL-UHFFFAOYSA-N 277.244 -0.854 50 20 CBGD CC(C)(C(=O)O)N1CCN(S(=O)(=O)CCl)CC1 1609651238 ZATMHPXLZOXXBU-UHFFFAOYSA-N 284.765 -0.007 50 20 CBGD O=C(NCCc1ccc2c[nH]nc2c1)NNC(=O)C(=O)O 1610694585 SVPRZRHNJKASSQ-UHFFFAOYSA-N 291.267 -0.480 50 20 CBGD CCNC(=S)NNC(=O)CNC(=O)c1cccs1 6447202 KXPDDTDJHWCKAA-UHFFFAOYSA-N 286.382 -0.007 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 8390012 RNUNEATXZJPDJD-UHFFFAOYSA-N 293.279 -0.299 50 20 CBGD CCOc1ccc(C(=O)NCC(=O)NNC(C)=O)cc1 48089281 GDWWQYXSTPGASW-UHFFFAOYSA-N 279.296 -0.018 50 20 CBGD CCOC(=O)CC(=O)NNC(=O)NCC(F)(F)F 281216780 LZILMOWFMHOWKW-UHFFFAOYSA-N 271.195 -0.168 50 20 CBGD CNS(=O)(=O)CCNC(=O)NNc1ncccc1F 287330889 VLNXFVNBADEFDP-UHFFFAOYSA-N 291.308 -0.604 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cnn(CCF)c2)[nH]n1 288188665 NPXJZKDDTJFJCI-UHFFFAOYSA-N 280.263 -0.041 50 20 CBGD C[C@@H](C(=O)NNC(=O)OC(C)(C)C)S(C)(=O)=O 490753854 JWTDQZYALHFLMB-LURJTMIESA-N 266.319 -0.025 50 20 CBGD CCOC(=O)NNC(=O)Cn1nc2ccccn2c1=O 495188933 KPEZHIXKFKYWQD-UHFFFAOYSA-N 279.256 -0.727 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C(F)F 497162903 CMWMEEWRTNMFCM-UHFFFAOYSA-N 267.232 -0.076 50 20 CBGD CN(CC1(O)CCCC1)C(=O)c1ccc(B(O)O)cc1 584965411 ODELPKMSEUQVHD-UHFFFAOYSA-N 277.129 -0.257 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@@H](CCCO)C1 585001032 TXLWTJZKJLRMAH-SNVBAGLBSA-N 295.119 -0.260 50 20 CBGD CC1CCN(C[C@H](O)CNCc2ccc(B(O)O)o2)CC1 585022164 UBCZZCAREPCLEQ-GFCCVEGCSA-N 296.176 -0.858 50 20 CBGD COC[C@@H](NCc1ccc(B(O)O)cc1F)[C@H]1CCCO1 585039459 VFHGAHYEPPXAJZ-ZIAGYGMSSA-N 297.135 -0.211 50 20 CBGD OB(O)c1ccc(CNCCN2CCC(O)CC2)c(F)c1 585044777 UBUHXGKEUNCQNJ-UHFFFAOYSA-N 296.151 -0.948 50 20 CBGD O=S(=O)(NCB(O)O)c1c(F)cc(F)cc1F 585054422 LNHMKVGZKWCQIL-UHFFFAOYSA-N 269.009 -0.606 50 20 CBGD CO[C@@H](CS(=O)(=O)NCB(O)O)c1ccc(F)cc1 585057127 MNYKVZYEEKWWHQ-JTQLQIEISA-N 291.109 -0.555 50 20 CBGD CO[C@@H](C)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 732262225 SBDLCVYDZXMUOG-AXFHLTTASA-N 287.360 -0.332 50 20 CBGD CC(C)CC(=O)NNC(=O)N[C@H](C)CS(C)(=O)=O 733660202 DUQQEWBXAQOMRM-MRVPVSSYSA-N 279.362 -0.204 50 20 CBGD CCCCOCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 735632005 VJVYLKASDRHWLJ-SECBINFHSA-N 292.357 -0.615 50 20 CBGD O=C(O)CC(=O)NNC(=O)[C@H]1Cc2ccccc2O1 738556287 PINGTBGLJWNELP-SECBINFHSA-N 264.237 -0.388 50 20 CBGD CC(C)NC(=O)NNC(=O)c1cccc(OCC(N)=O)c1 745139787 UKHGQKYTDBDMID-UHFFFAOYSA-N 294.311 -0.097 50 20 CBGD CN1CCC[C@H](NC(=O)NNc2ncccn2)C1=O 748663701 DULHWTDCCLWJRD-QMMMGPOBSA-N 264.289 -0.277 50 20 CBGD CC(=O)NNC(=O)CCOc1ccc(C(N)=O)cc1 748865082 PFVPEAYJMNDYFJ-UHFFFAOYSA-N 265.269 -0.278 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(OCCO)CC1 757128433 DKEUIGYKKIPSBE-SNVBAGLBSA-N 287.360 -0.594 50 20 CBGD CC(C)(C)c1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)[nH]n1 763136313 MOTAGNVISJRAKR-ZETCQYMHSA-N 293.327 -0.253 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCn2cncn2)n[nH]1 768278535 OERQVUSROYPVNS-UHFFFAOYSA-N 263.261 -0.839 50 20 CBGD O=C(NNC(=O)c1nc[nH]n1)c1ccc2c(c1)OCO2 773252418 RNALOLGARTUOAX-UHFFFAOYSA-N 275.224 -0.392 50 20 CBGD CC(C)[C@H]1CN(CC(=O)NNC(=O)C2CC2)CCO1 778242424 KHAJQYPRHQWIRD-LLVKDONJSA-N 269.345 -0.099 50 20 CBGD CCNC(=O)CC(=O)NNc1nccc(OC)n1 780881163 IEVSKJLFGOOOAM-UHFFFAOYSA-N 253.262 -0.546 50 20 CBGD C=C(CO)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 791294516 JIGIGAIXVCUKAO-LLVKDONJSA-N 278.264 -0.478 50 20 CBGD COc1cc(OC2CC2)ccc1C(=O)NNC(=O)CO 792421056 ZDNBATQDPZIWAA-UHFFFAOYSA-N 280.280 -0.010 50 20 CBGD Cn1cc(C=NNC(=O)c2ccc(O)c(O)c2)nn1 794556961 KMASXKKSFJEJCE-UHFFFAOYSA-N 261.241 -0.010 50 20 CBGD O=C(CO)NNC(=O)Nc1cccc2c1CNC2=O 806755699 NZLIIBYGFRHBSP-UHFFFAOYSA-N 264.241 -0.925 50 20 CBGD COc1cnc(C(=O)NNC(=O)c2cc(C)[nH]n2)nc1 815886691 FJQKFBPHALMUSD-UHFFFAOYSA-N 276.256 -0.408 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCNC(=O)C1CC1 825582518 BROUVLMPUHHZHO-WCBMZHEXSA-N 298.343 -0.732 50 20 CBGD C[C@H](N)[C@H]1CN(S(=O)(=O)CBr)CCO1 850585381 ZQCRKJALIOIEMY-NKWVEPMBSA-N 287.179 -0.283 50 20 CBGD O=C(CO)NNC(=O)C[C@@H](n1cccn1)C(F)(F)F 857170833 UEHSJGMCXBVBBV-ZCFIWIBFSA-N 280.206 -0.484 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(N)=O)[nH]1 857294323 DENSWXZMBNAADS-BQBZGAKWSA-N 280.284 -0.700 50 20 CBGD Cc1cc(=NNC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)cc[nH]1 862514547 QDIWITOVGHPRII-SKDRFNHKSA-N 292.339 -0.469 50 20 CBGD CCNC(=O)N(C)NC(=O)/C=C\CN1CCOCC1 867278715 GMTBSGPVOJTICX-PLNGDYQASA-N 270.333 -0.433 50 20 CBGD O=C1NCCC[C@@H]1C(=O)NNc1ncncc1F 868540057 FTCYQRSIWNZTPO-LURJTMIESA-N 253.237 -0.415 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@@H](C)SC 869907543 AIFMKIHDAPUWOM-MRVPVSSYSA-N 264.347 -0.062 50 20 CBGD C#CC(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 891767605 JFONJSJVFVISQB-UWVGGRQHSA-N 253.302 -0.734 50 20 CBGD C[C@H](C(=O)O)[C@@H](C)NCc1ccc(B(O)O)cc1 901444942 KPDXEUPYLPTOMP-DTWKUNHWSA-N 251.091 -0.435 50 20 CBGD O=C(Cn1ccc([N+](=O)[O-])n1)NNC(=O)c1ccncc1 916724548 AMORVMNSWONVEN-UHFFFAOYSA-N 290.239 -0.353 50 20 CBGD CCO/C=C(/C#N)C(=O)NC[C@@H]1CN(C)CCN1C 1116337969 WHRWSEWRMBPLFG-NLYDNYMLSA-N 266.345 -0.208 50 20 CBGD Cc1cc(C)nc(NC(=O)C(=O)NNC(=O)CCO)c1 1116819974 UBLJZCSNGMUPDH-UHFFFAOYSA-N 280.284 -0.833 50 20 CBGD COc1nn(C)cc1C(=O)NNC(=S)NC(C)C 1119350431 ZIRLMZADJCKGIX-UHFFFAOYSA-N 271.346 -0.054 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)C1CCC1)N1CCN(C)CC1 1123787287 FTZGETFBPAQWEN-NSHDSACASA-N 297.403 -0.247 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1CCC(=O)NC1 1248688359 ZXNNOPCEDJMWMS-SSDOTTSWSA-N 258.347 -0.584 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H]1CCC(=O)NC1 1248688360 ZXNNOPCEDJMWMS-ZETCQYMHSA-N 258.347 -0.584 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)NC2)cc1 1317884720 DYYIVWFGYYAYAN-JTQLQIEISA-N 291.307 -0.018 50 20 CBGD CC(C)c1ocnc1C(=O)NNC(=O)C(=O)NC1CC1 1318394951 NRZYTRQKPSCLIR-UHFFFAOYSA-N 280.284 -0.162 50 20 CBGD O=C(C=C1CCC1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1319194721 JBRQNAWSRKVJLW-VIFPVBQESA-N 272.326 -0.321 50 20 CBGD COCCCNC(=O)NNC(=O)c1cccc(C(N)=O)n1 1320247144 JDZZYRISCLLYPK-UHFFFAOYSA-N 295.299 -0.839 50 20 CBGD Cc1cccc2c1N(C(=O)C(=O)NNC(=O)CCO)CC2 1321152816 XXXDMUIOCXSFCC-UHFFFAOYSA-N 291.307 -0.586 50 20 CBGD COCCn1nc(C)c(NC(=O)NNC(=O)CCO)c1C 1321215693 VXNWYQIERJBHMM-UHFFFAOYSA-N 299.331 -0.319 50 20 CBGD Cc1nn(C)c(C(=O)NNC(=O)C2CC2)c1[N+](=O)[O-] 1321993541 QVSUTJGEVBUOPV-UHFFFAOYSA-N 267.245 -0.192 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1cccc(C#N)c1 1322253790 PNEUQIGJZDFLJL-UHFFFAOYSA-N 276.252 -0.438 50 20 CBGD N#CCN1CCC(NC(=O)NNC(=O)c2ccc[nH]2)CC1 1322567707 XOYFLODIVOVPEC-UHFFFAOYSA-N 290.327 -0.053 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCC(O)(c2nn[nH]n2)CC1 1325084143 JHACFTABOLPUEX-CMDGGOBGSA-N 292.299 -0.546 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CCCS1(=O)=O 1328341175 SZCLBGLKXZWDNZ-ZCFIWIBFSA-N 265.360 -0.969 50 20 CBGD CC(=O)CCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1330176539 MSYRNRIMCKRMEH-SNVBAGLBSA-N 276.358 -0.152 50 20 CBGD CC(=O)N1CCN(C(=O)NNC(=O)c2cn[nH]c2)[C@H](C)C1 1331312353 HRKDGIQLEYSOFQ-MRVPVSSYSA-N 294.315 -0.683 50 20 CBGD CC[C@H](NC(C)=O)C(=O)NNC(=S)NC(C)C 1331845026 BUKICFGZJOIZQY-QMMMGPOBSA-N 260.363 -0.195 50 20 CBGD O=C(O)c1cccnc1NNC(=O)[C@@H](O)C1CC1 1574820641 UJRQEIZWSDVCOO-QMMMGPOBSA-N 251.242 -0.006 50 20 CBGD O=C(NNC(=O)[C@H]1CCN1)[C@@H]1CC(c2ccccc2)=NO1 1580732798 JTNMJLJJSKCPJV-PWSUYJOCSA-N 288.307 -0.311 50 20 CBGD O=C(CC1CC1)NNC(=O)c1cc(-c2nn[nH]n2)ccn1 1592813625 PLCAKYKVWCAJSG-UHFFFAOYSA-N 287.283 -0.177 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1cc(C(=O)O)on1 1600978650 JZSVEAWWVLCGMV-UHFFFAOYSA-N 278.224 -0.214 50 20 CBGD CC[C@@H](CNC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)C(=O)O 1603562957 YGUISKOPZZJLTF-SGIHWFKDSA-N 299.327 -0.005 50 20 CBGD CCOC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)n1C 1604379433 DNEYSOXFEWVSRZ-UHFFFAOYSA-N 279.260 -0.404 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1C[C@H](C(=O)O)C1 1604833247 BIFLQNSRMMEGQL-XSPKLOCKSA-N 285.300 -0.395 50 20 CBGD CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792976707 KMHJUQPEMJVGDF-VLEAKVRGSA-N 290.747 -0.804 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cc([N+](=O)[O-])c[nH]2)cn1 24121581 JEJDMUPKJMPOOM-UHFFFAOYSA-N 278.228 -0.269 50 20 CBGD O=C(Cc1ccccc1F)NNC(=O)c1nc(=O)[nH][nH]1 109020618 BGOBPVRUWMXTLJ-UHFFFAOYSA-N 279.231 -0.759 50 20 CBGD CN(C)CC(=O)NNC(=O)CN(C)[C@H]1CCSC1 131868018 OZDGPKIIWDIVIH-VIFPVBQESA-N 274.390 -0.867 50 20 CBGD N#C[C@@H]1CN(CC(=O)NNC(=O)c2cccs2)CCO1 155600859 LCMAECFMUYYIAG-SECBINFHSA-N 294.336 -0.267 50 20 CBGD CN(C)CC(=O)NNC(=O)CNC(=O)c1cccs1 170775731 GERNBCSXDLNWPV-UHFFFAOYSA-N 284.341 -0.813 50 20 CBGD CCC(=O)N1CCCC[C@@H]1C(=O)NN(C)C(N)=O 181072640 LOZPWOYHGIQSFB-MRVPVSSYSA-N 256.306 -0.181 50 20 CBGD CN(NC(=O)c1cccc(-n2ccnn2)c1)C(N)=O 182649108 QGQMLSJNSAHKLK-UHFFFAOYSA-N 260.257 -0.077 50 20 CBGD Cn1ccnc(NNC(=O)NCC(F)(F)F)c1=O 267087183 RKTVEXHAOHVJAE-UHFFFAOYSA-N 265.195 -0.031 50 20 CBGD C=CCNC(=S)NNC(=O)CCN1CCN(CC)CC1 281361458 WEPGMESYYQSBEA-UHFFFAOYSA-N 299.444 -0.305 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2OC[C@H]3COCC[C@H]32)n1 289472812 HOGJYPKBNFJORY-FXPVBKGRSA-N 294.311 -0.020 50 20 CBGD O=C(NNc1ncccn1)[C@@H]1CN2CCCN1CC2 376200891 VOJAOMGIYPVFHI-JTQLQIEISA-N 262.317 -0.690 50 20 CBGD Cc1c([C@H](C)NC(=O)c2ccc(B(O)O)cc2)cnn1C 584931126 IYLBEHAVJQQDOO-VIFPVBQESA-N 287.128 -0.101 50 20 CBGD COCC(C)(C)NC(=O)c1cc(B(O)O)ccc1F 584938948 FHVDZTBUIZDZRO-UHFFFAOYSA-N 269.081 -0.340 50 20 CBGD CCC[C@@H]1C(=O)NCCN1C(=O)c1cccc(B(O)O)c1 584969542 VXEGUZYDLHGTJA-GFCCVEGCSA-N 290.128 -0.893 50 20 CBGD C[C@@H]1CC[C@@H](O)CN1C(=O)c1cccc(B(O)O)c1 584985919 SHGWIEVJYSHIFA-BXKDBHETSA-N 263.102 -0.648 50 20 CBGD COCCOCCN(C)C(=O)c1cc(B(O)O)ccc1F 584991752 GQZMCGRWGJFZLE-UHFFFAOYSA-N 299.107 -0.760 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCCO[C@H](CF)C1 584998557 AOLHHWOWUAMGNY-GFCCVEGCSA-N 281.092 -0.433 50 20 CBGD C[C@@H]1C[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H](C)O1 585002472 WKRUSYHSJPDNNK-FOGDFJRCSA-N 277.129 -0.090 50 20 CBGD O=C(CCNCc1cccc(B(O)O)c1)NC1CCCC1 585018847 UUKVXQGUUOLGNT-UHFFFAOYSA-N 290.172 -0.095 50 20 CBGD COc1nn(C)cc1NCc1cccc(B(O)O)c1 585037690 HCPCECSLVUTZEG-UHFFFAOYSA-N 261.090 -0.279 50 20 CBGD COC1([C@@H](C)NCc2ccc(B(O)O)o2)CCOCC1 585047641 DZESXKHWBDWAHB-SNVBAGLBSA-N 283.133 -0.367 50 20 CBGD CN(Cc1cn(C)nn1)S(=O)(=O)CBr 689216433 CBBKOGUCXKIQLQ-UHFFFAOYSA-N 283.151 -0.071 50 20 CBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CCC2)o1 732141569 SVRGJKLNBBLSNQ-UHFFFAOYSA-N 287.297 -0.512 50 20 CBGD CNC(=O)NNC(=O)CCn1c(C)c(C)sc1=O 734427974 HVYCKEFUUGUBFB-UHFFFAOYSA-N 272.330 -0.123 50 20 CBGD CC(C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)nc1 735684568 GNQYUAUKMZDHIG-UHFFFAOYSA-N 275.272 -0.321 50 20 CBGD C[C@H]1C[C@@H](C)CN(S(=O)(=O)NNC(=O)O)C1 736756643 VKKXVVIPCQOUNA-KNVOCYPGSA-N 251.308 -0.019 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)C[C@H]1CCOC1 749846978 HSAWFNHOKUNUBU-NXEZZACHSA-N 257.334 -0.099 50 20 CBGD Cc1c(NC(=O)NNC(=O)CO)cccc1-n1cnnn1 755444712 SQBSNYUXBIPJPY-UHFFFAOYSA-N 291.271 -0.884 50 20 CBGD Cn1ncc(C(=O)NNC(=O)CC(F)(F)F)c1N 757872702 FVHOJBKSDALJJG-UHFFFAOYSA-N 265.195 -0.284 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 760211812 QCOGCVBFBUGBFB-UHFFFAOYSA-N 295.255 -0.715 50 20 CBGD O=C(CN1CCCC1=O)NN=C1CCS(=O)CC1 761805982 ZJCQBIGODCLEBW-UHFFFAOYSA-N 271.342 -0.377 50 20 CBGD Cc1cccc2c1N(C(=O)C(=O)NNC(=O)CO)CC2 764421017 ITHMGUWHUDSQBL-UHFFFAOYSA-N 277.280 -0.976 50 20 CBGD CNC(=O)c1cccc(C(=O)NNC(=O)C(C)(C)O)c1 787951504 VPLQRNJHVSRPER-UHFFFAOYSA-N 279.296 -0.422 50 20 CBGD CCNC(=O)[C@@H](C)NC(=O)NNC(=O)c1cccc(C)n1 792788536 ODPUGZSVXXFFII-SECBINFHSA-N 293.327 -0.141 50 20 CBGD CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)C(=O)NC(C)C 792853942 NYNWCIYRORVWHZ-RKDXNWHRSA-N 273.333 -0.281 50 20 CBGD COC(=O)Cc1occc1C(=O)NNC(=O)CN(C)C 810333999 ROLNLZRGDPXMKC-UHFFFAOYSA-N 283.284 -0.682 50 20 CBGD O=C(O)c1cc(C=NNC(=O)[C@@H]2COCCO2)c[nH]1 814859986 ACMULKCBCXYGJZ-VIFPVBQESA-N 267.241 -0.422 50 20 CBGD Cn1cc(C=NNC(=O)c2ccccn2)c(=O)n(C)c1=O 839381477 JVZCHWRGGWLYJY-UHFFFAOYSA-N 287.279 -0.757 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(N)=O)o1 843977078 FORNHLYRMVTDRJ-NKWVEPMBSA-N 281.268 -0.436 50 20 CBGD COCCN(C)NC(=O)c1cccc(C(N)=O)n1 848377800 BNLXSMLBQWWQMP-UHFFFAOYSA-N 252.274 -0.597 50 20 CBGD C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858198587 VDLSUYMQSYBPOU-IWSPIJDZSA-N 268.317 -0.216 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CCC1 858323962 KHARXCFDQHKWND-IONNQARKSA-N 268.317 -0.216 50 20 CBGD C#CC[C@@H](CCOC)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858701927 SNCDSBJYAMOYJK-UWVGGRQHSA-N 296.327 -0.976 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccnn1 862095337 XMJIJBDYCPGBFB-HTQZYQBOSA-N 250.258 -0.337 50 20 CBGD O=C(C[C@H]1CCCCO1)NNC(=O)[C@H]1CCC(=O)N1 862456720 RSGCCURZZDMWEA-RKDXNWHRSA-N 269.301 -0.628 50 20 CBGD C[C@@H]1CC[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)C1 863464591 QYXMDHCBFJAPAS-HTQZYQBOSA-N 262.331 -0.385 50 20 CBGD COC(=O)N(C)CCNCc1cccc(B(O)O)c1 863892268 RBOXEGPUBWQEPL-UHFFFAOYSA-N 266.106 -0.846 50 20 CBGD COCCOCC(=O)NNC(=O)c1cc(Cl)n(C)n1 869905435 MYHOFGGPTZDDHM-UHFFFAOYSA-N 290.707 -0.503 50 20 CBGD C#CC[C@H](CCOC)NC(=O)NNC(=O)COCC 875919294 GDEXUJIVWZJFQC-SNVBAGLBSA-N 271.317 -0.218 50 20 CBGD CCn1cc(C=NNC(=O)[C@@H](C)CN2CCOCC2)nn1 901155028 JEBQSRDSSWJILR-NSHDSACASA-N 294.359 -0.284 50 20 CBGD CN1C(=O)CN(C(=O)[C@@]2(C)C[C@@H]2Br)CC1=O 908054893 KFCHYKDJSPWVFD-WKEGUHRASA-N 289.129 -0.013 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)NC[C@@H]1COCCO1 918106775 IVQHMDLNBNRNSU-ZCFIWIBFSA-N 285.222 -0.315 50 20 CBGD CS[C@@H](C)C(=O)NNC(=O)CN1CCCC1=O 920436029 TZKBUZYUHQHWHP-ZETCQYMHSA-N 259.331 -0.492 50 20 CBGD CCOCCC(=O)NNc1nc(O)c2cnn(C)c2n1 1116319153 ZWCIXUAKKGCMIX-UHFFFAOYSA-N 280.288 -0.061 50 20 CBGD Cc1nccc(CCC(=O)NNC(=O)c2cnn(C)c2)n1 1117749954 FPBJIRRKEVHAMP-UHFFFAOYSA-N 288.311 -0.088 50 20 CBGD CCOCCO[C@H](C)C(=O)N1CC[C@H](B(O)O)C1 1118915603 IMDZVRQVGYGDHL-ZJUUUORDSA-N 259.111 -0.497 50 20 CBGD CN(NC(=O)c1ccc(OCC(N)=O)cc1)C(N)=O 1254046266 MNPWLMVDWWAXQH-UHFFFAOYSA-N 266.257 -0.794 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)C2CCOCC2)CO1 1262031213 KOCVEUKUIMABFU-SCZZXKLOSA-N 256.302 -0.015 50 20 CBGD CC(C)C(=O)NNC(=O)NCCO[C@@H]1CCOC1 1263143747 NJKWCDYWTLFIDY-SECBINFHSA-N 259.306 -0.222 50 20 CBGD CCNC(=O)NNC(=O)c1c([N+](=O)[O-])c(C)nn1C 1318030057 AFFKQYIXHNFJBP-UHFFFAOYSA-N 270.249 -0.399 50 20 CBGD Cc1ncccc1CC(=O)NNC(=O)C(=O)NC1CC1 1323011072 KUYGBGVCEPFILG-UHFFFAOYSA-N 276.296 -0.641 50 20 CBGD O=C(NNC(=O)[C@@H](F)C(F)(F)F)C(=O)NC1CC1 1327519214 WFUBENUYGSFNBW-SCSAIBSYSA-N 271.170 -0.687 50 20 CBGD C[C@H](NNC(=O)CSCC(N)=O)C(F)(F)F 1329156728 JIBWYXGHYRAGGX-BYPYZUCNSA-N 259.253 -0.224 50 20 CBGD CC(C)CN1CCC[C@H]1C(=O)NNC(=O)C(=O)NC(C)C 1336864142 YYOBEWLRPSAFMM-NSHDSACASA-N 298.387 -0.221 50 20 CBGD NC[C@H](O)C(=O)NNC(=O)C(F)(F)Oc1ccccc1 1580328788 NYEBUASTDDPILJ-QMMMGPOBSA-N 289.238 -0.875 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)[C@@H]1CCCNC1 1580735717 DLNKXMSMRXGWNA-LNFKQOIKSA-N 279.340 -0.251 50 20 CBGD O=C(NNC(=O)[C@@H]1CCN1)c1cnc(C2CC2)nc1O 1580735837 FSLQYJBKIHVANC-QMMMGPOBSA-N 277.284 -0.818 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)COCC(=O)O 1588661232 ROHFFLDQCFUHSA-UHFFFAOYSA-N 263.319 -0.619 50 20 CBGD C=C[C@@H](NNC(=O)CNC(=O)c1cccs1)C(=O)O 1588700683 KLQUREMFCJHKAA-SSDOTTSWSA-N 283.309 -0.262 50 20 CBGD CC(C)[C@@H](NC(=O)c1cccc(B(O)O)c1)C(=O)O 1588950197 LXKHVOZTCVKCJQ-SNVBAGLBSA-N 265.074 -0.795 50 20 CBGD COCCN(C)NC(=O)c1ccc(-c2nn[nH]n2)nc1 1591420815 RAKMWKBXODWEAV-UHFFFAOYSA-N 277.288 -0.515 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CC=CC1)c1ccnnc1 1594779898 YVZNIRWVESASIL-UHFFFAOYSA-N 276.252 -0.341 50 20 CBGD C[C@H](NC(=O)[C@H](C)NC(=O)NNc1cccnn1)C(=O)O 1599897712 LIAYBDNDKGFLQX-BQBZGAKWSA-N 296.287 -0.920 50 20 CBGD Cn1nc2c(c1C=NNC(=O)NCC(=O)O)CSCC2 1601017831 MZPUCYJTKRBFSO-UHFFFAOYSA-N 297.340 -0.073 50 20 CBGD N#CCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1606345739 OGEPKPDDGXKSMI-UHFFFAOYSA-N 271.240 -0.459 50 20 CBGD O=C(NCc1ccc(C(=O)O)o1)c1cccc(B(O)O)c1 1608467277 JIOGXNGFLJBBOK-UHFFFAOYSA-N 289.052 -0.412 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cc(C(=O)O)co1 1610185340 RAZFNFNSDJNRCZ-UHFFFAOYSA-N 269.213 -0.216 50 20 CBGD Cn1nnc(C=NNC(=O)c2cccc(C(=O)O)c2)n1 1776095496 BKZRFYFDNMJTAK-UHFFFAOYSA-N 274.240 -0.328 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)c2ccc(CO)o2)nn1 1776097110 KWNYOIGKJQKVCO-UHFFFAOYSA-N 293.239 -0.788 50 20 CBGD CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847557948 FXWJHUWOJGGXND-GUBZILKMSA-N 260.721 -0.192 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCCO2)n1 47466064 ZXOVZZKVIAXRIL-JTQLQIEISA-N 266.301 -0.174 50 20 CBGD O=C(NNC(=O)[C@@H]1COCCO1)c1cccc([N+](=O)[O-])c1 48072829 SXYVZBLZNCNUTC-JTQLQIEISA-N 295.251 -0.229 50 20 CBGD COCCCNC(=O)NNC(=O)C[C@H]1CCCO1 49167331 ILYASTYLVMWKOZ-SECBINFHSA-N 259.306 -0.078 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCCC[C@@H]1C(N)=O 111193544 MKLRTLNCPBDASI-WDEREUQCSA-N 298.387 -0.092 50 20 CBGD CN1CCC[C@H]1C(=O)NNC(=O)c1cnn(C)c1 117820274 ZNFBIFCXAUMTCJ-VIFPVBQESA-N 251.290 -0.725 50 20 CBGD CC[C@@H]1C(=O)NCCN1S(=O)(=O)CBr 127457511 ULIICTRSOKBYDN-ZCFIWIBFSA-N 285.163 -0.121 50 20 CBGD Cc1ccn(CC(=O)NNC(=O)c2cc(C)n[nH]2)c(=O)c1 194969723 YMNLLHUFHUPIPA-UHFFFAOYSA-N 289.295 -0.351 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)[C@@H]1CCOC1 264574254 STKHLFXHDYHEOO-SECBINFHSA-N 280.280 -0.045 50 20 CBGD COc1cc(C)nc(NNC(=O)CN(C)C(C)=O)n1 266959106 UBTGUZRJCTUONS-UHFFFAOYSA-N 267.289 -0.285 50 20 CBGD COCC(=O)N(C)CC(=O)NNC(=O)c1ccccc1 270259416 WXLYDVVBDOHMGB-UHFFFAOYSA-N 279.296 -0.448 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCCNC(=O)C1CC1 276199079 FNYCANQOIYVTPA-UHFFFAOYSA-N 271.317 -0.789 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc2cncn2c1 287754479 PKBAOLVROHQEPO-UHFFFAOYSA-N 261.285 -0.343 50 20 CBGD CC(=O)N1c2ccccc2C[C@H]1C(=O)NNC(=O)CO 363852690 SGKPKFITCGKSBE-NSHDSACASA-N 277.280 -0.896 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 368675878 OUWBVXAWIUMBTN-LPEHRKFASA-N 283.328 -0.527 50 20 CBGD O=C(CNS(=O)(=O)CBr)NCC1CC1 393147206 CNJRENJDSSFFHJ-UHFFFAOYSA-N 285.163 -0.216 50 20 CBGD CCOC(=O)NNS(=O)(=O)N(C)CC1CC1 491407149 UJRORLWCUFZCPF-UHFFFAOYSA-N 251.308 -0.176 50 20 CBGD COCCCN(C)C(=O)c1cccc(B(O)O)c1 584935462 LMPHQFFRFXOBIG-UHFFFAOYSA-N 251.091 -0.525 50 20 CBGD CN(C)CCCCNC(=O)c1ccc(B(O)O)c(F)c1 584946699 YOJIDNGOBJYEMQ-UHFFFAOYSA-N 282.124 -0.423 50 20 CBGD CSC1(CNC(=O)c2ccc(B(O)O)cc2)CC1 584983929 RSIMZWUDFDDNLT-UHFFFAOYSA-N 265.143 -0.008 50 20 CBGD O=C(NCC1=CCCOC1)c1cccc(B(O)O)c1 584990164 QCFOCHJZKZOPKZ-UHFFFAOYSA-N 261.086 -0.557 50 20 CBGD CCNC(=O)[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(C)C 584993714 ZTYQMFJGSGVCOC-LBPRGKRZSA-N 292.144 -0.743 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H](c2nc[nH]n2)C1 585001506 XBYCAJUZSSFSTJ-JTQLQIEISA-N 286.100 -0.886 50 20 CBGD CC(C)(CNCc1cccc(B(O)O)c1)N1CCOCC1 585013874 AKXNNIDNAZFHRK-UHFFFAOYSA-N 292.188 -0.433 50 20 CBGD OB(O)c1ccc(CNCCCn2ccnn2)c(F)c1 585034044 FIRBQJPGLFBIMS-UHFFFAOYSA-N 278.096 -0.723 50 20 CBGD Cc1ccc(C[C@H](CO)NCc2ccc(B(O)O)o2)cc1 585036105 AAUIDUCRNKVYIG-CYBMUJFWSA-N 289.140 -0.039 50 20 CBGD CCCN1C[C@@H](NCc2ccc(B(O)O)cc2F)CC1=O 585048323 OAOHIBPGTCGDLA-LBPRGKRZSA-N 294.135 -0.394 50 20 CBGD CC[C@@H](O)Cc1nc(-c2ccc(B(O)O)cc2)no1 585053362 FCVIXJVSPIMVCN-SNVBAGLBSA-N 262.074 -0.270 50 20 CBGD O=C1CC[C@H](c2nc(-c3cccc(B(O)O)c3)no2)CN1 585054428 VDZVIKRJALXKIZ-VIFPVBQESA-N 287.084 -0.590 50 20 CBGD CO[C@@H](CS(=O)(=O)N1CC[C@H](B(O)O)C1)C(C)C 585055643 CKIXVICNTPFPEG-UWVGGRQHSA-N 279.167 -0.464 50 20 CBGD O=S(=O)(c1cccc2c1OCC2)N1CC[C@H](B(O)O)C1 585056475 PEGRGWKGPNQDLY-JTQLQIEISA-N 297.141 -0.141 50 20 CBGD OB(O)[C@H]1CCN(Cc2cc3c(cn2)OCO3)C1 585138798 AGHATMMKOPBXPH-QMMMGPOBSA-N 250.063 -0.141 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NN=C1CCOC1 731925204 SNGRSRHJWFLKKH-JTQLQIEISA-N 255.318 -0.153 50 20 CBGD O=C(Cc1ccccn1)NNC(=O)[C@@H]1C[C@@H]1C(=O)O 739349431 MPEUUYSXOMVWIO-BDAKNGLRSA-N 263.253 -0.508 50 20 CBGD CCCN(C)CC(=O)NNC(=O)N1CCOCC1 741209496 KRWBPUIIBXHULZ-UHFFFAOYSA-N 258.322 -0.599 50 20 CBGD CC(=O)NNC(=O)CN1C(=O)CCOc2ccccc21 747423212 QVACFZJBYKHAKN-UHFFFAOYSA-N 277.280 -0.031 50 20 CBGD CC1(C)OCC(C)(C(=O)NNC(=O)C(=O)NC2CC2)CO1 775604291 JGZDJVHXQCXKKO-UHFFFAOYSA-N 299.327 -0.798 50 20 CBGD CC(C)NC(=O)NNC(=O)CCc1nc(N(C)C)no1 779753334 QBKPVBPYILDIRQ-UHFFFAOYSA-N 284.320 -0.193 50 20 CBGD CN1CCC[C@@H]1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 792854523 KMCXIEJPJFNLSX-GHMZBOCLSA-N 289.401 -0.427 50 20 CBGD C=C[C@](C)(O)CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 792855054 NSDRISIBVJRYSF-JQWIXIFHSA-N 290.385 -0.194 50 20 CBGD Cc1c(CC(=O)NNC(=O)NC2CC2)cnn1C 794246252 GTXHNTRYHMWJCS-UHFFFAOYSA-N 251.290 -0.236 50 20 CBGD CCCN(CC(N)=O)CC(=O)NNC(=O)c1ccccc1 795527347 UPKDOMYTLUQZIR-UHFFFAOYSA-N 292.339 -0.355 50 20 CBGD O=C(CO)NNC(=O)c1ccnc(C(F)(F)F)c1 809753058 ZKJGRBLCDYFONI-UHFFFAOYSA-N 263.175 -0.146 50 20 CBGD Cc1ccc(C(=O)NNC(=O)c2ncn(C)n2)c(O)c1 810172705 OHBHYLOMSNLCAO-UHFFFAOYSA-N 275.268 -0.096 50 20 CBGD Cn1nnc2c1C[C@@H](C(=O)NN=c1cc[nH]cc1)CC2 810971483 ZUPRNVFKLTVBIF-VIFPVBQESA-N 272.312 -0.120 50 20 CBGD CC(Cn1cccn1)=NNC(=O)C(=O)NC(C)C 814778021 MWGNIWPAOHKTFV-UHFFFAOYSA-N 251.290 -0.100 50 20 CBGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cc[nH]n1 814816175 ORXHDDQWOUOSEY-MRVPVSSYSA-N 285.329 -0.380 50 20 CBGD O=C1C[C@@H](C(=O)NNC(=O)c2ccccc2)NC(=O)N1 816816665 DOJZBDUAEYXYMJ-QMMMGPOBSA-N 276.252 -0.954 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1N 818340671 PZMQXXOEPYHWFQ-OPRDCNLKSA-N 256.350 -0.208 50 20 CBGD O=C(O)CCCNC(=O)NNC(=O)Cc1ccncc1 819443046 IGDMYSCBRASPIY-UHFFFAOYSA-N 280.284 -0.181 50 20 CBGD CCN(CCO)NC(=O)CCOC[C@@H]1CCCO1 823847324 VMXURRAVJHDIPI-NSHDSACASA-N 260.334 -0.083 50 20 CBGD O=C(O)CCCNC(=O)NNC(=O)[C@@H]1CCCCO1 831057719 OFLBSYMEKVQBAS-QMMMGPOBSA-N 273.289 -0.249 50 20 CBGD CCNC(=O)N(C)NC(=O)COC1CCNCC1 831945563 RTBVXEPMSBRICY-UHFFFAOYSA-N 258.322 -0.553 50 20 CBGD C=C(CN(C)C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843971706 RIPKWIZNDSGFNA-NXEZZACHSA-N 255.318 -0.323 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H](C)Cc1cnc[nH]1 847392664 AEHDWLIFGNNLFP-SECBINFHSA-N 283.332 -0.045 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1c(F)ccnc1F 847855297 JOPKBHDLKZNDJY-UHFFFAOYSA-N 259.212 -0.108 50 20 CBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)N=c1cc[nH]cc1 854377183 JPIRHHJKNAGZSP-SNVBAGLBSA-N 277.284 -0.723 50 20 CBGD CN(C)c1ncc(C=NNC(=O)CS(C)(=O)=O)s1 863187421 KVRRNQRELNQTDZ-UHFFFAOYSA-N 290.370 -0.296 50 20 CBGD CN(CCNCc1ccc(B(O)O)cc1)CC(F)F 863891770 BYPRGMBIAXAQRI-UHFFFAOYSA-N 272.104 -0.347 50 20 CBGD Cc1ccn(C[C@H](C)C(=O)NNC(=O)C(C)(C)O)n1 867672756 SRLLLGZLXRGPRY-QMMMGPOBSA-N 268.317 -0.254 50 20 CBGD COCCOCC(=O)NNC(=O)c1csc(C=O)c1 869909794 JLTIFNLZVANOOU-UHFFFAOYSA-N 286.309 -0.015 50 20 CBGD COC(=O)N(C)NC(=O)NCCN1CCO[C@@H](C)C1 875195513 SQOBLTWSSREEBB-VIFPVBQESA-N 274.321 -0.381 50 20 CBGD CCO/C=C(\C#N)C(=O)N1C[C@H](O)C[C@]1(C)CO 912662323 IVALYGUCFLIWBP-URGSKGIXSA-N 254.286 -0.225 50 20 CBGD CCCNC(=O)NNC(=O)C1=NN(C)C(=O)CC1 921040763 CNPKZDFCPXQZHM-UHFFFAOYSA-N 255.278 -0.665 50 20 CBGD CCCCn1nccc1NC(=O)C(=O)NNC(=O)CCO 1116623412 JDSMWOPZHDBZQY-UHFFFAOYSA-N 297.315 -0.849 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@H]1CCC(=O)[C@H]1C 1256324966 RRYTUKKZENBIOB-DTWKUNHWSA-N 283.328 -0.336 50 20 CBGD O=C(NNC(=O)c1cccc(F)n1)N[C@@H]1CCOC1 1261640587 JFMGLIJJNGHGLJ-SSDOTTSWSA-N 268.248 -0.046 50 20 CBGD COC(=O)C(=O)NN=Cc1cc([N+](=O)[O-])ccc1O 1319047357 VOWHVRGERQNGDH-UHFFFAOYSA-N 267.197 -0.077 50 20 CBGD O=C(CO)NNC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 1320208522 JPEBOOZJVFWSOL-UHFFFAOYSA-N 280.284 -0.996 50 20 CBGD CCCn1cc(NC(=O)C(=O)NNC(=O)CC)cn1 1321139503 NSXIXJLENJVUNN-UHFFFAOYSA-N 267.289 -0.211 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(C(N)=O)c[nH]1 1326662012 RKADALMHULPGPJ-XPUUQOCRSA-N 280.284 -0.700 50 20 CBGD COC1CCC(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 1328799081 IXKCVUIHMHMWJC-RTBKNWGFSA-N 298.343 -0.447 50 20 CBGD COC(=O)c1ccc(C(=O)NNc2cnnn2C)n1C 1329575082 SBNTWCUBQMPNNQ-UHFFFAOYSA-N 278.272 -0.303 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCCS(=O)(=O)C1 1330261216 LFELDWPWPJJFGN-BDAKNGLRSA-N 264.347 -0.845 50 20 CBGD CC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H](B(O)O)C1 1331895607 MTNLLTTWVUWQPA-WDEREUQCSA-N 268.122 -0.537 50 20 CBGD C[C@@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)N(C)C 1332353566 CEVRDZCWBLUQGO-LURJTMIESA-N 279.304 -0.538 50 20 CBGD O=C(NN=Cc1cnc2n1CCOC2)C(=O)N1CCCC1 1333219896 SCJCFYVIYOPQRZ-UHFFFAOYSA-N 291.311 -0.514 50 20 CBGD COc1cc(C(=O)NNC(=O)C(=O)NC(C)C)sn1 1334908968 QIGHAYBOXSFSAR-UHFFFAOYSA-N 286.313 -0.563 50 20 CBGD CC(=O)NNC(=O)CCCN1C(=O)NC(C)(C)C1=O 1338019948 JDYJWXPPUQMXCP-UHFFFAOYSA-N 270.289 -0.736 50 20 CBGD COCCS(=O)(=O)NNC(=O)c1ccccn1 1339345967 KHKAACNYFSVEHK-UHFFFAOYSA-N 259.287 -0.708 50 20 CBGD CCc1ncsc1C(=O)NNC(=O)C(=O)NC(C)C 1340963491 ZIPUMXCULWTAGJ-UHFFFAOYSA-N 284.341 -0.009 50 20 CBGD CC(=O)NNC(=O)c1cc(S(N)(=O)=O)c(C)o1 1342657523 OOKJKTABTKNJKE-UHFFFAOYSA-N 261.259 -0.984 50 20 CBGD O=C(NNC(=O)C1(O)CCOCC1)c1ccc[nH]1 1342862845 XCFNYQRRNIXNGA-UHFFFAOYSA-N 253.258 -0.683 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cccc2c1OCC2 1351581097 YBZXFIFUPLIFBM-UHFFFAOYSA-N 263.253 -0.273 50 20 CBGD C[C@H](C(=O)NNc1ncccc1C(=O)O)S(C)(=O)=O 1573362612 FDFGFWSLTJVMIB-ZCFIWIBFSA-N 287.297 -0.344 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)[C@@H](OC)C(=O)O 1574236683 FBTLUPADBLRCAI-LLVKDONJSA-N 296.279 -0.515 50 20 CBGD NCC1(C(=O)NN=c2cc[nH]c3cccnc23)CC(O)C1 1580236160 SBLSPJMJDWNAOM-UHFFFAOYSA-N 287.323 -0.405 50 20 CBGD O=C(NNc1ncccn1)c1cc(-c2nn[nH]n2)ccn1 1593167155 RYKXHAKBCQRFEJ-UHFFFAOYSA-N 283.255 -0.191 50 20 CBGD CC(C)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)O 1603036120 GEGIGULMNYDXEI-LLVKDONJSA-N 279.101 -0.405 50 20 CBGD CC[C@H](C(=O)O)C(=O)NNc1nc(O)c2cnn(C)c2n1 1604878619 UEAJEWCHXJIVHM-YFKPBYRVSA-N 294.271 -0.377 50 20 CBGD O=C(NNC(=O)[C@]1(C(=O)O)CCCO1)[C@@H]1CCCS1 1605814586 IQZHMQFSQHNEIY-CPCISQLKSA-N 288.325 -0.337 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CC(=O)N(CC)CC 109826977 WVSOSQZYXRFVDJ-SNVBAGLBSA-N 286.376 -0.268 50 20 CBGD C[C@H](O)C(=O)NNC(=O)c1cccc(N(C)C)c1 136135628 QSNOTDKHORJHPM-QMMMGPOBSA-N 251.286 -0.106 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CN(C)[C@H]1CCSC1 153477511 DSSBEBZELHILFK-VIFPVBQESA-N 297.384 -0.084 50 20 CBGD O=C(NNc1ncccn1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 177649668 GJIHHFOZEYDNOL-QMMMGPOBSA-N 287.283 -0.304 50 20 CBGD CN(NC(=O)CNC(=O)c1ccc(F)c(F)c1)C(N)=O 179694087 WJDNSMVABKINKQ-UHFFFAOYSA-N 286.238 -0.264 50 20 CBGD Cc1cc(C(=O)NNC(=O)CO)c2c(C)noc2n1 180962048 CQYPFKMSGXBZDT-UHFFFAOYSA-N 264.241 -0.407 50 20 CBGD Cc1cccnc1C(F)(F)C(=O)NNC(=O)CO 192852574 USJHGHBQHUFHRZ-UHFFFAOYSA-N 259.212 -0.378 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CN1CCCCCC1=O 263838296 XQYSPCJXEUXMAW-UHFFFAOYSA-N 298.343 -0.939 50 20 CBGD COCC(=O)N(C)CC(=O)NNC(=O)c1ccccc1F 270257717 WODNIVCGOQELJK-UHFFFAOYSA-N 297.286 -0.309 50 20 CBGD CC[C@H](C(=O)NNC(=O)Cc1ccncc1)C(=O)OC 276919609 QNSCGUJFGPQGAW-SNVBAGLBSA-N 279.296 -0.029 50 20 CBGD CC(C)CCC(=O)NNC(=O)[C@H]1CC[C@H](C(N)=O)O1 280420782 ZCFSFDVODQUOOK-RKDXNWHRSA-N 271.317 -0.397 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@](C)(O)C2CC2)cn1 288222373 CXKVIXHLGNCCFY-LLVKDONJSA-N 252.274 -0.658 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CC1(Cl)Cl 290850935 AMGBUZALASFQKX-RXMQYKEDSA-N 282.127 -0.148 50 20 CBGD COC(=O)[C@H]1C[C@@H]1C(=O)NNC(=O)[C@@H]1CCCO1 292268785 ZIMVWSMYDWCUFF-FXQIFTODSA-N 256.258 -0.878 50 20 CBGD CCO/C=C(/C#N)C(=O)N(CC)[C@@H]1CC(=O)NC1=O 491129107 FZXVTEXYJBJXFA-UFGYOYAJSA-N 265.269 -0.306 50 20 CBGD CC(C)OCCCNC(=O)COc1ccc(B(O)O)cc1 584909464 LUHVVFKRYQUABI-UHFFFAOYSA-N 295.144 -0.324 50 20 CBGD CC[C@@H](C)NC(=O)COc1ccc(B(O)O)cc1 584910411 ZPHSSHNJLJPDKY-SECBINFHSA-N 251.091 -0.340 50 20 CBGD CN(C)[C@H](C(=O)Nc1cccc(B(O)O)c1)C1CC1 584913172 QAZUOCHVVDDAAB-LBPRGKRZSA-N 262.118 -0.355 50 20 CBGD Cc1nc(CCCNC(=O)c2cccc(B(O)O)c2)n[nH]1 584955189 SFCPOOWKYNGYBL-UHFFFAOYSA-N 288.116 -0.844 50 20 CBGD C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(B(O)O)cc1 584957948 LAMPNHFLNXFSCO-QMTHXVAHSA-N 288.156 -0.421 50 20 CBGD CO[C@@H](C)CNC(=O)c1ccc(B(O)O)c(F)c1 584979535 WTZKBYSEXILODO-ZETCQYMHSA-N 255.054 -0.730 50 20 CBGD O=C(NCB(O)O)c1ccc(Br)nc1 585062236 SFRFXFWVFZALCD-UHFFFAOYSA-N 258.868 -0.414 50 20 CBGD O=S(=O)(CCCCl)N1C[C@@H](CO)[C@H](CO)C1 705322371 HANYNGXJONFQMX-IUCAKERBSA-N 271.766 -0.522 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=S)NC(C)C 733947714 FKDORFWCBGWWMQ-QMMMGPOBSA-N 263.363 -0.058 50 20 CBGD Cc1oc(C(=O)O)cc1S(=O)(=O)NNC(=O)O 738966337 RQDVWIAZYYXXPS-UHFFFAOYSA-N 264.215 -0.253 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@H]1C[C@H]1C(=O)O 739217689 ZPMPYNKOZVQDIJ-IUYQGCFVSA-N 254.164 -0.193 50 20 CBGD O=C(CCC1CCOCC1)NNC(=O)C(=O)N1CCCC1 742600880 HYJWMZHIPZTSOF-UHFFFAOYSA-N 297.355 -0.037 50 20 CBGD Cn1cc(CC(=O)NNC(=O)NCC2CC2)cn1 751371122 ILMWBLQVFBHITF-UHFFFAOYSA-N 251.290 -0.297 50 20 CBGD C[C@@H](NC(=O)NNC(=O)CC(F)(F)F)C(=O)N(C)C 753034034 BRZCCIJNNGMBAM-RXMQYKEDSA-N 284.238 -0.254 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1n[nH]c2c1CCC2 755269182 PEKFRPFKXKSBLQ-UHFFFAOYSA-N 274.284 -0.375 50 20 CBGD O=C(CN1CSCC1=O)NNc1ncc(F)cn1 760907047 PWHUOLFILYZEDC-UHFFFAOYSA-N 271.277 -0.408 50 20 CBGD COCCn1cc(C(=O)NNC(=O)C(C)(C)O)c(C)n1 768244723 NCQAZVHUKMTWGR-UHFFFAOYSA-N 284.316 -0.630 50 20 CBGD O=C(CC(=O)NNC(=O)NC1CC1)NCC(F)(F)F 779658910 CIBWXDMWKSFUES-UHFFFAOYSA-N 282.222 -0.452 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1ncncc1Cl 781830497 RNDJMRCGWBLCAZ-UHFFFAOYSA-N 287.707 -0.322 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@@H](C(=O)OC)C1CC1 794565666 IVELAAGPIIQYPQ-GMSGAONNSA-N 271.317 -0.527 50 20 CBGD C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)N1CCN(C)CC1 807380348 UTCXOTRDERADII-WDEREUQCSA-N 296.371 -0.020 50 20 CBGD C[C@@H](CN(C)C)NC(=O)NNC(=O)c1ccc[nH]1 807577345 NWNDGABUKMEZEV-QMMMGPOBSA-N 253.306 -0.091 50 20 CBGD COCCN(C)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 808074273 SDBOLCLTPYAWBF-LLVKDONJSA-N 286.376 -0.994 50 20 CBGD CN(C)c1cccc(C(=O)NNC(=O)c2ncn(C)n2)c1 809935943 TUDFLUZOVDZBGF-UHFFFAOYSA-N 288.311 -0.044 50 20 CBGD CO[C@](C)(C(=O)NNC(=O)N1CCN(C)CC1)C1CC1 812557107 MINIECIXOBXBIC-ZDUSSCGKSA-N 284.360 -0.210 50 20 CBGD CNC(=O)NCCC(=O)NNC(=O)c1ccc[nH]1 814255281 FVUVBHQWNOLMGC-UHFFFAOYSA-N 253.262 -0.905 50 20 CBGD CN(C)N(C(=O)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 823014971 YCTPRNFEKYYXQL-LLVKDONJSA-N 289.401 -0.426 50 20 CBGD COC(=O)c1cnn(CC(=O)NN(C)[C@H](C)CO)c1 823907026 FYPXSXCMKUCWOF-MRVPVSSYSA-N 270.289 -0.987 50 20 CBGD C[C@@H](CO)N(C)NC(=O)C1(S(C)(=O)=O)CCC1 823928057 JXHCBSOEYBWMHG-QMMMGPOBSA-N 264.347 -0.703 50 20 CBGD CC1=NO[C@@H](C(=O)NNC(=O)Cc2cccnc2)C1 826123538 QFSIYWCVMDXOHD-SNVBAGLBSA-N 262.269 -0.064 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@@](C)(C(=O)O)C1 826134943 KTJQWSZOHJNMDR-CYBMUJFWSA-N 285.344 -0.024 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC(C)(O)CC1 827269156 VMKNIDHIAQRGQY-UWVGGRQHSA-N 285.344 -0.001 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@@H](C)OC[C@H]1C 827332871 UHBRQFVMOCCUTB-NXEZZACHSA-N 257.334 -0.101 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H](CN)C1CCCC1 841987658 PJNPFPVSNSANSK-JTQLQIEISA-N 272.349 -0.129 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=O)c1cccc(F)n1 856423195 NHUGJMDLEBXQGY-LLVKDONJSA-N 271.248 -0.621 50 20 CBGD Cn1nc(C2CC2)nc1C(=O)NNC(=O)CCCN 857764081 HCTACGOQOASEAV-UHFFFAOYSA-N 266.305 -0.808 50 20 CBGD CC[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)[C@H]1CCCO1 858324243 NWTLXMBTKUUMSU-IVZWLZJFSA-N 298.343 -0.447 50 20 CBGD C#C[C@H](NC(=O)NNC(=O)c1cn[nH]c1)[C@H]1CCCO1 858369841 KDXXZFMARLWVJU-VHSXEESVSA-N 277.284 -0.466 50 20 CBGD C[C@@H]1CC[C@H](CCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)O1 862455927 KPWASTBLZNICPQ-BBBLOLIVSA-N 283.328 -0.240 50 20 CBGD CCOC(=O)C(C)(C)CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862460256 DMUUOIUMPVSZEH-MRVPVSSYSA-N 299.327 -0.608 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1cccnc1 863190341 SNUMSBXLTHLOJU-UHFFFAOYSA-N 255.299 -0.034 50 20 CBGD CON1CCC(NCc2ccccc2B(O)O)CC1 863889942 KSQHNSAHEWIAIC-UHFFFAOYSA-N 264.134 -0.518 50 20 CBGD CCCNC(=O)NNC(=O)c1cnn(CCN(C)C)c1 865023672 KCSGLQNNMBCRFT-UHFFFAOYSA-N 282.348 -0.201 50 20 CBGD COCCOCC(=O)NN=C1CCCS(=O)(=O)C1 872402596 IETYTHCPZDVICL-UHFFFAOYSA-N 278.330 -0.670 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCCC12OCCO2 889514986 ZEEUDDDRGCITGJ-SECBINFHSA-N 287.316 -0.351 50 20 CBGD CC(=O)NNC(=O)CNC(=O)c1ccc(F)cc1 913173400 YLUMTOWHOYKBHP-UHFFFAOYSA-N 253.233 -0.277 50 20 CBGD CC[C@H](O)[C@H](C)C(=O)NNC(=O)CN1CCCC1=O 913733365 GJBXWLUNCYKLLF-IUCAKERBSA-N 271.317 -0.837 50 20 CBGD O=C(CNC(=O)c1ccncc1)NNc1ncccn1 914834926 XAXCTDHQCSZVAW-UHFFFAOYSA-N 272.268 -0.255 50 20 CBGD C[C@@H](C(=O)NNC(=O)C1CC1)N1C(=O)CCC1=O 916034534 QHWWPEAURWZPSE-LURJTMIESA-N 253.258 -0.919 50 20 CBGD CCCCNC(=O)NNC(=O)CS(=O)(=O)CCOC 920821701 FRNDAAAPEQMFNO-UHFFFAOYSA-N 295.361 -0.822 50 20 CBGD CNC(=O)NNC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 1116581198 ORJFQGRLGCOWAA-UHFFFAOYSA-N 290.283 -0.855 50 20 CBGD NCCCCCC(=O)NNC(=O)c1cnns1 1118789097 VLDCMTJEAGDLMG-UHFFFAOYSA-N 257.319 -0.182 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C1CCOCC1 1318652723 GSJWIRKDIGVCEX-UHFFFAOYSA-N 252.274 -0.094 50 20 CBGD CN(C)c1nccc(NNC(=O)c2ccc[n+]([O-])c2)n1 1318705497 JXLZVUOJOBHHDK-UHFFFAOYSA-N 274.284 -0.067 50 20 CBGD O=C(Cn1ccc(O)nc1=O)NNc1ncc(F)cn1 1320308890 FNUNNCMYHHXYGZ-UHFFFAOYSA-N 280.219 -0.979 50 20 CBGD CN(C)C(=O)CNC(=O)C(=O)NNc1cccnc1Cl 1320902246 ZQYXZBZBSRYUIA-UHFFFAOYSA-N 299.718 -0.618 50 20 CBGD COC(=O)N(C)NC(=O)C(=O)c1c(C)nn(C)c1C 1322252634 XWLYNQJDRIMXHL-UHFFFAOYSA-N 268.273 -0.051 50 20 CBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(=O)n(C)c1 1325516424 PSTTXIVJDLTJOF-QMMMGPOBSA-N 294.311 -0.483 50 20 CBGD Cc1cc(CC(=O)NNC(=O)C[C@H]2CCOC2)n[nH]1 1329527291 SSEXDTGOKHMKIL-SECBINFHSA-N 266.301 -0.165 50 20 CBGD Cc1nccn1CCNC(=O)NNC(=O)C1CCOCC1 1333150493 ZQOCMYVOOQBGEU-UHFFFAOYSA-N 295.343 -0.051 50 20 CBGD O=C(CN1CCC(CO)CC1)NNc1ncncc1F 1337239396 HMCGJBDBFSTZTQ-UHFFFAOYSA-N 283.307 -0.237 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cccnc1Cl 1337960631 HSOOFKDVMDHJAA-UHFFFAOYSA-N 256.649 -0.159 50 20 CBGD C[C@@H]1c2nncn2CCN1CC(=O)NNC(=O)C1CC1 1343602780 PQIWPZDTGPRGSJ-MRVPVSSYSA-N 278.316 -0.788 50 20 CBGD Cn1cc(C(=O)NNc2ncccc2F)c(O)nc1=O 1345758727 XKUIBBMMZSIIQW-UHFFFAOYSA-N 279.231 -0.223 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1cnn(C)c1 1345930057 JNDGCUOQEGLJHE-CBAPKCEASA-N 288.329 -0.845 50 20 CBGD Cc1cc(NNC(=O)[C@@H]2CN3CCN2C[C@@H]3C)nc(N)n1 1520450173 GAAWGMKKQGWLQX-UWVGGRQHSA-N 291.359 -0.801 50 20 CBGD Cn1ncc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)n1 1549320220 LDJLMPCENHHKAX-GHMZBOCLSA-N 278.316 -0.872 50 20 CBGD Cc1csc(CCC(=O)NNC(=O)[C@H]2CCN2)n1 1579836531 ZFRQTOXIBQGKLG-MRVPVSSYSA-N 268.342 -0.107 50 20 CBGD N[C@H]1CCCC[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 1580177764 VSZUTHIFFGSCSQ-UWVGGRQHSA-N 282.344 -0.726 50 20 CBGD O=C(/C=C/[C@@H]1CCCNC1)NNC(=O)C(=O)N1CCCC1 1580494006 PHDRXNMCBLWBQZ-QRGHLMKCSA-N 294.355 -0.688 50 20 CBGD O=C(NNC(=O)C1CCCC1)c1cnnn1C1CNC1 1580733391 TZYYWHPZNJSGDD-UHFFFAOYSA-N 278.316 -0.626 50 20 CBGD Cn1ncc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)n1 1592599578 HYRXPPXZGJEYMS-UHFFFAOYSA-N 286.259 -0.853 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1600675396 XSZNSQQVRZVQAL-SFYZADRCSA-N 282.256 -0.889 50 20 CBGD Cn1ncc(C(=O)NNc2ccc(C(=O)O)cn2)c1N 1601021333 YNLYPCNKWQSRHW-UHFFFAOYSA-N 276.256 -0.148 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCN(CC(F)(F)F)C1 1601553043 RQQUAWCGQLGPCB-YFKPBYRVSA-N 298.221 -0.962 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 1601553081 SUWCXKMPIDKAGX-RNJXMRFFSA-N 271.273 -0.641 50 20 CBGD CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)c1ncon1 1602970028 JBBCPIWIWACHBG-RXMQYKEDSA-N 256.218 -0.813 50 20 CBGD CN(C)CC(=O)NNC(=O)c1csc(-c2nn[nH]n2)c1 1604677816 RSLJSGGIKWTMHC-UHFFFAOYSA-N 295.328 -0.749 50 20 CBGD O=C(N[C@H](C(=O)O)c1ccccc1)c1cccc(B(O)O)c1 1605825552 JWLKIPLUWCIBKT-ZDUSSCGKSA-N 299.091 -0.078 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNc2cccnn2)O[C@H]1C(=O)O 1607444547 WRHYJDXEETWAGY-ZXFLCMHBSA-N 266.257 -0.202 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccccc2C(=O)O)nn1 1608098944 VUYILYUFJBYQOA-UHFFFAOYSA-N 289.251 -0.412 50 20 CBGD O=C(NCCn1cnc2ccccc21)NNC(=O)C(=O)O 1608455427 SSVOQCFWRMAPMJ-UHFFFAOYSA-N 291.267 -0.549 50 20 CBGD CC(C)(O)C(=O)NN=Cc1cccn1CC(=O)O 1609789320 IWCMXBLWDYNWHM-UHFFFAOYSA-N 253.258 -0.206 50 20 CBGD COC[C@H](NC(=O)NNC(=O)C(=O)O)c1ccc(C)o1 1610251601 UTOVJKUEYUGUTL-ZETCQYMHSA-N 285.256 -0.309 50 20 CBGD O=C(O)c1coc(C(=O)NNC(=O)c2cnn[nH]2)c1 1610868294 YOQOWCZWZIFYBM-UHFFFAOYSA-N 265.185 -0.829 50 20 CBGD O=C(NNC(=O)[C@H]1COCCO1)c1cccc([N+](=O)[O-])c1 48072831 SXYVZBLZNCNUTC-SNVBAGLBSA-N 295.251 -0.229 50 20 CBGD C[C@]12CCC(=O)N1[C@H](C(=O)NNC(=O)NC1CC1)CS2 49150751 OOVLEYMBGGUXTQ-UFBFGSQYSA-N 298.368 -0.067 50 20 CBGD C[C@@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)c1cnn(C)c1 117820215 IIESYAIFIHOWIU-MRVPVSSYSA-N 295.343 -0.268 50 20 CBGD CCN(CC(=O)NNC(=O)Cc1cc[nH]n1)C1CC1 186101050 YHXQVUPCUQAVRC-UHFFFAOYSA-N 265.317 -0.416 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cc[nH]n1 276502621 CJLDAZCZNZBMIC-UHFFFAOYSA-N 270.289 -0.040 50 20 CBGD CCN1C[C@H](C(=O)NNC(=O)CC2CC2)CC1=O 294182772 OHLHRDYBRUSPQX-SECBINFHSA-N 253.302 -0.198 50 20 CBGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)CC1CC1 294345314 ZUXMGGSFYFPUIF-UHFFFAOYSA-N 279.296 -0.190 50 20 CBGD NC(=O)CN1CCN(CCI)CC1 388370759 XBZRSZZZLYJLEP-UHFFFAOYSA-N 297.140 -0.476 50 20 CBGD C[C@@H]1CCN(C)CCN1C(=O)c1cccc(B(O)O)c1 584944592 CEBNBRHLRMJZCQ-LLVKDONJSA-N 276.145 -0.467 50 20 CBGD O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(B(O)O)c(F)c1 584958474 OYOZRPKLXLGNKQ-GGZOMVNGSA-N 279.076 -0.445 50 20 CBGD CN(CC1(CO)CC1)C(=O)c1ccc(B(O)O)c(F)c1 584979374 SAGQXFNMIPQEAX-UHFFFAOYSA-N 281.092 -0.650 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCOC(F)(F)C1 584993023 RSNWKXAOUAPTTK-UHFFFAOYSA-N 289.018 -0.429 50 20 CBGD CCC1CN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584998924 SQAXQFPNDSFURB-UHFFFAOYSA-N 251.066 -0.013 50 20 CBGD CO[C@]1(CNCc2ccc(B(O)O)cc2)CCOC1 585036527 MIRHFLRYXXVSMQ-ZDUSSCGKSA-N 265.118 -0.739 50 20 CBGD C[C@@H](O)C1(NCc2ccc(B(O)O)cc2F)CC1 585049962 NMHSTPQCOKDRPZ-MRVPVSSYSA-N 253.082 -0.492 50 20 CBGD CC(C)[C@H](C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 733092449 GQIMJZCUPITAGY-DTWKUNHWSA-N 276.358 -0.139 50 20 CBGD CC(C)CC(=O)NNC(=O)N[C@@H](C)CS(C)(=O)=O 733660203 DUQQEWBXAQOMRM-QMMMGPOBSA-N 279.362 -0.204 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)[C@@H]1C[C@H]1C(=O)O 739336805 JOEYASOOWZAZRZ-HTQZYQBOSA-N 294.263 -0.361 50 20 CBGD CCNC(=O)c1cccc(NC(=O)NNC(=O)CO)c1 755513419 JXELFMGHZVGDAW-UHFFFAOYSA-N 280.284 -0.419 50 20 CBGD NC(=O)c1ccc(F)c(NC(=O)NNC(=O)CO)c1 756066505 MQTAFLGAIPHIDQ-UHFFFAOYSA-N 270.220 -0.930 50 20 CBGD CN(CC(=O)NNc1nccn(C)c1=O)[C@@H]1CCSC1 764493444 DOEKXSBZNHTFEO-SECBINFHSA-N 297.384 -0.339 50 20 CBGD CC[C@H](CO)C(=O)NNC(=O)COc1ccccc1O 779767634 FLQUCYGAWHOONI-SECBINFHSA-N 282.296 -0.063 50 20 CBGD COc1cccc(NNC(=O)C(=O)NC2CC2)n1 781023853 KROKGLQTQUSHHQ-UHFFFAOYSA-N 250.258 -0.188 50 20 CBGD C[S@](=O)CCNC(=O)NNc1nc2ccccn2n1 790390677 CWEQWDGMJHQRAN-IBGZPJMESA-N 282.329 -0.266 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CCCCN1C(C)=O 795587699 OWCSYOYLRQEQSR-VIFPVBQESA-N 256.306 -0.262 50 20 CBGD Cn1ccc(C=NNC(=O)CNC(=O)c2ccco2)n1 814826779 GZTZSJTWQJEZCV-UHFFFAOYSA-N 275.268 -0.107 50 20 CBGD CC(C)(NS(C)(=O)=O)C(=O)NNC(=O)CC1CC1 819141484 ZGJGVSFXRWHISB-UHFFFAOYSA-N 277.346 -0.738 50 20 CBGD Cn1c(S)nnc1CCNC(=O)NNc1ncccn1 820244895 MXNKGSSUWBDZHD-UHFFFAOYSA-N 294.344 -0.237 50 20 CBGD C#C[C@H](CCC)NC(=O)NNC(=O)C(=O)NC1CC1 820629379 BFEVEFIYIWFLIE-MRVPVSSYSA-N 266.301 -0.603 50 20 CBGD COc1cccnc1CC(=O)NN(C)[C@@H](C)CO 823927897 ILUHHPLUGNHHFD-VIFPVBQESA-N 253.302 -0.024 50 20 CBGD COC(=O)C[C@@H]1COCCN1S(=O)(=O)CCl 831543086 APMNZITUFJEWLA-SSDOTTSWSA-N 271.722 -0.224 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCn1ccnc1 843647623 ZHIMMUZBRMCKEM-UWVGGRQHSA-N 266.301 -0.154 50 20 CBGD CN(C)C(=O)NNC(=O)Cn1nnnc1-c1ccsc1 843778930 MDYJUJDZDUBXPH-UHFFFAOYSA-N 295.328 -0.296 50 20 CBGD Cc1nc(SCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n[nH]1 843977067 FLDUNNWIKZKBJC-SVRRBLITSA-N 299.356 -0.222 50 20 CBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)OC(C)(C)C 854162583 OATXQQCVWNFEEX-ZETCQYMHSA-N 295.361 -0.130 50 20 CBGD CNC(=S)N(C)NC(=O)CCc1cnn(C)c1 854925832 NQASMVBNHSVTGC-UHFFFAOYSA-N 255.347 -0.180 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@]12CCC(=O)N1CCS2 854927146 WORWMQJQSOCRCP-JTQLQIEISA-N 288.398 -0.481 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@H]1CCNC(=O)C1)C1CC1 855098365 GLAHYLXRHUFRFR-APPZFPTMSA-N 284.385 -0.194 50 20 CBGD CCCCO[C@@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862454202 RKFSOWZTHJCDNV-IUCAKERBSA-N 271.317 -0.382 50 20 CBGD CC(C)C(C)(C)C(=O)NNC(=O)CS(C)(=O)=O 863464287 BPGYSBSVCIDFLC-UHFFFAOYSA-N 264.347 -0.139 50 20 CBGD CCCCC[C@H](O)C(=O)NNC(=O)CS(C)(=O)=O 863465632 HBPZWUNFIDTSHW-QMMMGPOBSA-N 280.346 -0.880 50 20 CBGD N#Cc1cc(S(N)(=O)=O)ccc1N1CC[C@H](B(O)O)C1 864234399 URUCSGYGNILDJD-VIFPVBQESA-N 295.129 -0.741 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H]1CCCNC1=O 867162770 SVTIGHGBJMWLLJ-SSDOTTSWSA-N 290.414 -0.629 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CC[C@@H]2C[C@H]12 872350549 COWHSWJHBFDCDI-PRJMDXOYSA-N 259.331 -0.174 50 20 CBGD O=S(=O)(CCCCl)N(CCO)CCOCCO 882253923 QKIBCOIGOCTYLY-UHFFFAOYSA-N 289.781 -0.752 50 20 CBGD COC(=O)C[C@@H](O)CNS(=O)(=O)CCCCl 882455459 SIHVWHYETOJHCN-SSDOTTSWSA-N 273.738 -0.541 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=S)NC(C)(C)C 899996267 ITFHSQUQHLDOCB-JTQLQIEISA-N 263.363 -0.322 50 20 CBGD O=C(N[C@H]1CCCC12OCCO2)c1ccc(B(O)O)cc1 912818708 RBQITTJVXLEUQY-LBPRGKRZSA-N 291.112 -0.608 50 20 CBGD CCOC1CC(CC(=O)NNC(=O)CN2CCCC2=O)C1 913732435 WTQXCHOCWRKXOL-UHFFFAOYSA-N 297.355 -0.039 50 20 CBGD O=C(NN=C1CN2CCC1CC2)C(=O)NC1CC1 915048621 IPYVJXSNWGDDAA-UHFFFAOYSA-N 250.302 -0.537 50 20 CBGD C[C@@H](C(=O)NNC(=O)NC1CCCC1)N1C(=O)CCC1=O 1318213332 AGPZOGGTFMGRDV-QMMMGPOBSA-N 296.327 -0.203 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](C)C1=CCN(C)CC1 1320225868 ONCJPZPZBNVQQC-MRVPVSSYSA-N 284.316 -0.860 50 20 CBGD CCCCn1nccc1NC(=O)C(=O)NNC(C)=O 1321141162 XVWCGMHEARPWGM-UHFFFAOYSA-N 267.289 -0.211 50 20 CBGD Cc1ccc(C(=O)NNC(=O)NCCS(C)(=O)=O)o1 1323676228 ZCVXUTSIZFDNEQ-UHFFFAOYSA-N 289.313 -0.423 50 20 CBGD CNC(=O)NNC(=O)c1cnn(CCN(C)C)c1 1329257482 BFJDCMPOVWJNIZ-UHFFFAOYSA-N 254.294 -0.982 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 1329771143 PWDUYUBFQBPJRC-DTWKUNHWSA-N 286.332 -0.732 50 20 CBGD Cn1cc(Cl)c(C(=O)NNC(=O)C(=O)NC2CC2)n1 1331791346 VXPAWIORXFOGGX-UHFFFAOYSA-N 285.691 -0.887 50 20 CBGD CCN1CCC[C@H](NC(=O)NNC(=O)C(C)C)C1=O 1341252155 JUJPJNQKUFLROO-VIFPVBQESA-N 270.333 -0.016 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnn2c1NCCC2 1347704136 JRNGCKNGKKEQPT-BDAKNGLRSA-N 293.327 -0.115 50 20 CBGD C/C=C\[C@@H]1CNC[C@H]1C(=O)NNC(=O)c1cnn(C)c1 1576923765 CNHKRWIGJYEBRX-QKXNICGJSA-N 277.328 -0.407 50 20 CBGD CC[C@H](C)C[C@@H](N)C(=O)NNC(=O)C(=O)NC(C)C 1576984181 WCEBIIDFSIVGEC-DTWKUNHWSA-N 272.349 -0.578 50 20 CBGD Nc1cccc(C(=O)NNC(=O)C2CCOCC2)n1 1580455173 GFCKUWOYZABLDH-UHFFFAOYSA-N 264.285 -0.149 50 20 CBGD COc1cc(NC(=O)NNC(=O)CO)ccc1C(=O)O 1599440004 MTYNNGPRGJSEED-UHFFFAOYSA-N 283.240 -0.462 50 20 CBGD CC(C)C(=O)NNC(=O)CN[C@](C)(CCF)C(=O)O 1603706570 ZKZTZGQRVSZWKP-LLVKDONJSA-N 277.296 -0.418 50 20 CBGD O=C(O)CC[C@H]1C[C@@H](C(=O)NNC(=O)c2cn[nH]c2)CO1 1606110827 BJULVVSDIWHHNH-APPZFPTMSA-N 296.283 -0.559 50 20 CBGD O=C(Cn1ccc(C(=O)O)n1)NNc1ncccn1 1608378284 XERNQHUVIXZIJM-UHFFFAOYSA-N 262.229 -0.485 50 20 CBGD Cn1ncc(C(=O)O)c1C=NNC(=O)[C@H]1CCOC1 1776058324 WXSZLELHTDPYNX-ZETCQYMHSA-N 266.257 -0.395 50 20 CBGD O=C(NNC(=O)[C@@H]1COCCO1)c1ccccc1 32647080 ZLYHIUUQKCUNST-JTQLQIEISA-N 250.254 -0.137 50 20 CBGD CC(C)(O)CN1CCN(S(=O)(=O)CCl)CC1 70601407 GGJGZXFNQLSZJD-UHFFFAOYSA-N 270.782 -0.099 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cccnc2O)[nH]n1 151222237 LJKNCHKEACRQLO-UHFFFAOYSA-N 261.241 -0.106 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H](C)N2CCN(C)CC2)o1 267889531 YEXAKVXLAJPRNE-NSHDSACASA-N 294.355 -0.015 50 20 CBGD CCC[C@@](C)(O)C(=O)NNC(=O)CNC(=O)c1ccco1 269282729 AXKKTOROVWWQGW-CYBMUJFWSA-N 297.311 -0.292 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCN(CC(N)=O)CC1 269766308 FQHUQFMCOZQJHR-MDZDMXLPSA-N 266.301 -0.940 50 20 CBGD COc1nccnc1NNC(=O)CN1CCCC1=O 274103827 PLYFCNKRIWCCFG-UHFFFAOYSA-N 265.273 -0.449 50 20 CBGD CCCS(=O)(=O)CC(=O)NN(C)C(=O)OC 286165860 BKSVJOCCFMCAKP-UHFFFAOYSA-N 252.292 -0.459 50 20 CBGD CCO/C=C(\C#N)C(=O)NC[C@@H]1CC(C(N)=O)=NO1 490692989 IBCHQCQVUPJERO-CZEYKFRCSA-N 266.257 -0.823 50 20 CBGD C[C@H](C(=O)NNC(=O)OC(C)(C)C)S(C)(=O)=O 490753856 JWTDQZYALHFLMB-ZCFIWIBFSA-N 266.319 -0.025 50 20 CBGD COC(=O)N(C)NS(=O)(=O)N1CC[C@H](C)C1 497016835 NCEPIQCOOQYVDR-ZETCQYMHSA-N 251.308 -0.224 50 20 CBGD CC[C@@H]1CN(C)CCN1C(=O)c1cccc(B(O)O)c1 584995728 YGFKELJTJMGSAC-CYBMUJFWSA-N 276.145 -0.467 50 20 CBGD CC(C)NC(=O)CCNCc1ccc(B(O)O)cc1F 585015806 MKXKTUPMVGDOHY-UHFFFAOYSA-N 282.124 -0.490 50 20 CBGD CN(CCNCc1ccc(B(O)O)o1)C1CCCC1 585022017 HFKAMGSDWQSHFC-UHFFFAOYSA-N 266.150 -0.077 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)o1)[C@@H]1CCCOC1 585035029 XIUOUZSAKVNJPH-NXEZZACHSA-N 253.107 -0.136 50 20 CBGD OB(O)c1ccc(CN[C@@H]2C[C@H](O)C23CCC3)o1 585046804 BXNDCFQBPMHYSZ-ZJUUUORDSA-N 251.091 -0.648 50 20 CBGD CNS(=O)(=O)c1ccc(N2CC[C@H](B(O)O)C2)nc1 585072856 FZOXOZGFJZROTB-QMMMGPOBSA-N 285.134 -0.957 50 20 CBGD O=C(CCN1C(=O)CCC1=O)NNC(=O)C1CCC1 732142313 WCFGWPQFXVEKJL-UHFFFAOYSA-N 267.285 -0.527 50 20 CBGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)NNC(C)=O)CC1=O 733356985 YODABPDAUDLLAY-VXGBXAGGSA-N 296.371 -0.514 50 20 CBGD O=C(NNS(=O)(=O)C[C@H]1CCCO1)N1CCOCC1 735647208 WUNBBCXWRNIUSA-SECBINFHSA-N 293.345 -0.958 50 20 CBGD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NNC(=O)C1CC1 748696059 AYXPXPAEMBQVEE-UHFFFAOYSA-N 280.240 -0.686 50 20 CBGD O=C(CCN1CCOCC1)NNc1ncccn1 750865653 WXGZQEVWRJYVCI-UHFFFAOYSA-N 251.290 -0.358 50 20 CBGD C[C@H](C[S@](C)=O)NC(=O)NNc1ncccn1 753359815 SIMBZTYOWZKNPG-GJEGPGMTSA-N 257.319 -0.130 50 20 CBGD O=C(NNc1ncccn1)[C@@H]1CCCCS1(=O)=O 753786196 PKXIQNCNULXUSR-QMMMGPOBSA-N 270.314 -0.113 50 20 CBGD C#CCNC(=S)NNC(=O)CNC(=O)c1cccs1 758218690 FEDUTOADEHEDLM-UHFFFAOYSA-N 296.377 -0.394 50 20 CBGD CCO[C@H](CC(=O)NNC(=O)C(=O)NC1CC1)C(C)C 760305860 VHVHAGKTEFTKPN-SNVBAGLBSA-N 285.344 -0.136 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCCC2(C1)OCCO2 761687749 KRDBJWBKTXVKSJ-JTQLQIEISA-N 285.344 -0.229 50 20 CBGD Cn1cc(C=NNC(=O)CNC(=O)c2cccnc2)cn1 763195956 PPPQUBCEYKALQN-UHFFFAOYSA-N 286.295 -0.305 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)OC)cc1 763438003 LHESUPRFQSYVHG-UHFFFAOYSA-N 293.279 -0.031 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)O)[C@H]1CCSC1 768240975 HQMVUEPENHIPNK-QMMMGPOBSA-N 275.374 -0.658 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CCNC(=O)N(C)C 777716148 JTOSTOQGBOWIMV-SECBINFHSA-N 287.364 -0.865 50 20 CBGD CN(NC(=O)CCCn1ccccc1=O)C(N)=O 778417639 CDGFTPZPQBPUAD-UHFFFAOYSA-N 252.274 -0.330 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cccc(=O)n1C 780709365 PYWGKRQTGIUTNC-UHFFFAOYSA-N 252.274 -0.309 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@@H](CO)O1 787319141 PWFCEEXOIXHCKH-UWVGGRQHSA-N 287.360 -0.739 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCCN1C1CC1 787570435 OJNKMNMMKFYHPX-SECBINFHSA-N 255.318 -0.469 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccn1 789875538 UWOQYXIMPHRKQH-JTQLQIEISA-N 297.336 -0.414 50 20 CBGD C[C@@H](NCC(=O)NNC(=O)C1CC1)c1nnnn1C1CC1 792474541 JXQJGPBCAUSNJX-SSDOTTSWSA-N 293.331 -0.784 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CCC(=O)NC1 798306191 AIFYCPUSAJQAIW-SSDOTTSWSA-N 256.331 -0.806 50 20 CBGD CNC(=O)NNC(=O)c1c(C)coc1CC(=O)OC 813419736 AZNFCXAISWHZTJ-UHFFFAOYSA-N 269.257 -0.123 50 20 CBGD CCOC(=O)[C@@H](CC(=O)NN(C)C(N)=O)C(C)=O 816958618 XWSVTIIWFMJEAA-ZETCQYMHSA-N 259.262 -0.814 50 20 CBGD C[C@H](CC(=O)NNc1ccc(C(N)=O)nn1)n1cccn1 819893828 MDCGTQRMVQQHOH-MRVPVSSYSA-N 289.299 -0.134 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCO[C@H](C)C1 827268447 OQGQELRXZACZHL-UTLUCORTSA-N 271.317 -0.127 50 20 CBGD C[C@@H]1[C@H](C(=O)NNC(=O)N2CCN(C)CC2)CCN1C 830240642 HPWXVVBZOVCVLE-GHMZBOCLSA-N 283.376 -0.685 50 20 CBGD C[C@H](N)[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 843354308 YBGFXESLRMPUCL-GXSJLCMTSA-N 268.361 -0.397 50 20 CBGD CC(C)NC(=O)NNC(=O)c1ccn(CCN(C)C)n1 847402509 QPNZODRMMUKSMU-UHFFFAOYSA-N 282.348 -0.203 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(=O)N(C)CC1 852577657 IWSAWHGSDZYGQK-VIFPVBQESA-N 270.333 -0.904 50 20 CBGD CN1C(=O)CC[C@@H]1CC(=O)NNC(=O)[C@H]1CCCCO1 854682616 CRTQQIQKCWZEMW-NXEZZACHSA-N 283.328 -0.286 50 20 CBGD Cc1nc(CC(=O)NNC(=S)NCC2CCC2)n[nH]1 855092800 QEAZYMQTUJUPPC-UHFFFAOYSA-N 282.373 -0.049 50 20 CBGD O=C1C[C@H](C(=O)NNc2nc[nH]n2)[C@@H]2CCCC[C@@H]2N1 857261096 HJAJVSCKSJCGMN-CIUDSAMLSA-N 278.316 -0.057 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)N1 859352375 PRUUBXFSBBRFDE-QMMMGPOBSA-N 291.263 -0.545 50 20 CBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)[C@@H]1CCCCO1 861852725 JPJREANGLCRWHR-UWVGGRQHSA-N 271.317 -0.527 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)C2=CCCCC2)N1 862460763 JBIGDKGMCKNBKV-VIFPVBQESA-N 251.286 -0.087 50 20 CBGD CC1(C)CC(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 862461951 NIMRSQCFJLNVEN-MRVPVSSYSA-N 253.302 -0.151 50 20 CBGD CC(C)C[C@@H](C(N)=O)C(=O)NNC(=O)c1cn[nH]c1 862469976 WVISIPNXPBBKRN-QMMMGPOBSA-N 267.289 -0.682 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)c1cc(C)cs1 862478955 XHZHRWKSIJLLIX-UHFFFAOYSA-N 270.314 -0.253 50 20 CBGD CCC1(C(=O)NNC(=O)CS(C)(=O)=O)CCC1 863462201 KYOPBBBPDUPCKP-UHFFFAOYSA-N 262.331 -0.241 50 20 CBGD O=C(NCC1(CO)CC1)c1cc(B(O)O)ccc1F 866601550 SFJZGAAYVULTJW-UHFFFAOYSA-N 267.065 -0.992 50 20 CBGD CN(C)CCc1cn(CC(=O)NNC(=O)C(C)(C)C)nn1 881307024 RJUSUBFVUZKNOX-UHFFFAOYSA-N 296.375 -0.424 50 20 CBGD C[C@@H]1COCC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1 884421494 VWQUYPNBZHWRNA-SFYZADRCSA-N 275.330 -0.505 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)NC2CCCC2)C1=O 900413011 MVPGKOCUZYVONQ-VIFPVBQESA-N 284.316 -0.883 50 20 CBGD Cc1cc(C(=O)NNC(=O)COc2cc(C)on2)n[nH]1 917391375 RGRWJXUAAVKUHN-UHFFFAOYSA-N 279.256 -0.145 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)c2n[nH]c(O)n2)cc1 918279306 QCUCGPVXRQJPLT-UHFFFAOYSA-N 291.267 -0.341 50 20 CBGD CC(C)(C)NCC(=O)NNC(=O)N1CCOCC1 1115965011 SALCXGOJRPTEQP-UHFFFAOYSA-N 258.322 -0.553 50 20 CBGD O=C(CCO)NN=C1C(=O)Nc2cc3c(cc21)OCCO3 1116199583 LBNQYVFTNYMPTQ-UHFFFAOYSA-N 291.263 -0.387 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)c1cccnc1 1117743799 YUJZJCRMSGESIJ-SNVBAGLBSA-N 286.295 -0.303 50 20 CBGD CNC[C@@H](C)NC(=O)NNc1nncc(N)c1Cl 1118549038 UXLMXESTIIZWKL-RXMQYKEDSA-N 273.728 -0.054 50 20 CBGD O=C(NCCOCCF)NNC(=O)C1CCOCC1 1119349449 IPZSBMNKDVHIDM-UHFFFAOYSA-N 277.296 -0.271 50 20 CBGD CN(C)c1ccc2c(c1)NC(=O)C2=NNC(=O)CCO 1255838409 CZTMAYHOFACMLR-UHFFFAOYSA-N 276.296 -0.093 50 20 CBGD O=C(NNC(=O)[C@@]1(F)CCOC1)c1ccccn1 1258436998 MMQDQVULLMWABF-LLVKDONJSA-N 253.233 -0.029 50 20 CBGD CC(C)(C(=O)NNC(=O)Cc1cccnc1)S(C)(=O)=O 1318499591 MTFZLZWJHWIJDC-UHFFFAOYSA-N 299.352 -0.405 50 20 CBGD COC(=O)C(=O)NN=C1CCCC[C@H]1S(C)(=O)=O 1318912030 QGFGEDBPLYRMGL-MRVPVSSYSA-N 276.314 -0.381 50 20 CBGD CNC(=O)NNC(=O)CCCn1ccccc1=O 1321885202 BINOOQTYWTWOIR-UHFFFAOYSA-N 252.274 -0.411 50 20 CBGD O=C(NCCc1cscn1)NNC(=O)C(=O)NC1CC1 1324085850 AXUDDQHHFHIBPC-UHFFFAOYSA-N 297.340 -0.705 50 20 CBGD C[C@@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(C)(F)F 1324254112 RCHODDCGLMLNLJ-NKWVEPMBSA-N 298.311 -0.140 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)N[C@@H]3CCOC3)nc21 1324365100 JXJCVCVTXLFUFO-ZCFIWIBFSA-N 293.287 -0.516 50 20 CBGD CC1(C)C[C@@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 1337360688 JNCPLPYSEIYWDX-DTWKUNHWSA-N 283.328 -0.382 50 20 CBGD CN1CC[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)C1=O 1342823980 FQDSYVLRJAUBOF-MRVPVSSYSA-N 265.273 -0.811 50 20 CBGD C[C@H](CN)NC(=O)C(=O)NC[C@]1(C)C[C@H]1Br 1347977436 GAKCSTACIGQABP-XSSZXYGBSA-N 292.177 -0.261 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 1348111415 WCJOZCQLNSYMMF-HRDYMLBCSA-N 284.316 -0.837 50 20 CBGD Cc1coc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1C 1351716720 OLZMOBVGVOYWNK-QMMMGPOBSA-N 265.269 -0.064 50 20 CBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)N=c1cc[nH]cc1 1574282154 POOGHZWNEIONGM-KRTXAFLBSA-N 278.268 -0.233 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@H](N)Cc1ccccn1 1579975296 XXONMHLZAIKPNS-LLVKDONJSA-N 287.323 -0.249 50 20 CBGD CC(=O)NNC(=O)Nc1snc(C)c1-c1nn[nH]n1 1588870011 PXFXCCPOPKMNCP-UHFFFAOYSA-N 282.289 -0.196 50 20 CBGD CCN(CC(=O)NNC(=O)C(C)(C)C)[C@H](C)C(=O)O 1589718992 ZBSYYHGYMCDBAX-MRVPVSSYSA-N 273.333 -0.025 50 20 CBGD CC(C)C[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)O 1591468769 ZRTBNFQBPRHLGV-NSHDSACASA-N 279.101 -0.405 50 20 CBGD COCCCNC(=O)NNC(=O)C1(CC(=O)O)CCC1 1593994810 SJCDITXFHRLCBN-UHFFFAOYSA-N 287.316 -0.002 50 20 CBGD O=C(O)[C@H]1C[C@H]2CC[C@H]1N2C(=O)c1ccc(B(O)O)cc1 1601790351 NZFORGJIQVHUNE-GRYCIOLGSA-N 289.096 -0.556 50 20 CBGD O=C(CN1CCC[C@@H](O)C1)NNC(=O)c1cccs1 48694273 NGNAXZHWTAYGAF-SECBINFHSA-N 283.353 -0.034 50 20 CBGD CCNC(=O)NNC(=O)CNC(=O)c1ccoc1C 49183203 CAIIGSKBGMHELC-UHFFFAOYSA-N 268.273 -0.332 50 20 CBGD O=C(CN1C(=O)NC2(CCCC2)C1=O)NNC(=O)C1CC1 49946674 OCVCMAHYQVVVLQ-UHFFFAOYSA-N 294.311 -0.592 50 20 CBGD C[C@@H](C[S@](C)=O)N(C)CC(=O)NNC(=O)C1CC1 125904956 RPUYJCIWZOCSMA-DCXZOGHSSA-N 275.374 -0.757 50 20 CBGD C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)C(=O)NC1CC1 245203225 MRTVTTPXNOSWKP-OPRDCNLKSA-N 296.371 -0.326 50 20 CBGD CCOC(=O)NCCC(=O)NNC(=O)c1cnn(C)c1 265573973 OGEIDOWDTJUIDL-UHFFFAOYSA-N 283.288 -0.683 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)NC(CC)CC 265902560 VNHQDDGJHCIZOZ-UHFFFAOYSA-N 259.306 -0.525 50 20 CBGD COCC(=O)N[C@H](C(=O)NNC(=O)c1ccc[nH]1)C(C)C 265927118 WXSSVZRTYMERQC-NSHDSACASA-N 296.327 -0.437 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)OC 275585403 OPIGTSJKTGPWPW-WUNNSPOASA-N 282.296 -0.045 50 20 CBGD Cc1nc(C(=O)NNC(=O)C(C)(C)O)ccc1C#N 278053719 XGNXXHGVDKFUBQ-UHFFFAOYSA-N 262.269 -0.206 50 20 CBGD CCn1cc(C(=O)NNC(=O)N2CCN(C)CC2)cn1 278524996 CKQRPOIVTYBUAG-UHFFFAOYSA-N 280.332 -0.495 50 20 CBGD C[C@@H](CC(N)=O)C(=O)NNC(=O)COc1ccc(F)cc1 284501470 YGTKEOAILDDWJJ-QMMMGPOBSA-N 297.286 -0.137 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc2c(cn1)OCCC2 367796246 ZLFZTNOYSWHMNW-UHFFFAOYSA-N 278.312 -0.271 50 20 CBGD CN(C)[C@H](CNC(=O)c1ccc(B(O)O)cc1)C1CC1 584931941 CLQFCDWMKSLZKI-CYBMUJFWSA-N 276.145 -0.564 50 20 CBGD O=C(NC[C@@H]1CCCCO1)c1ccc(B(O)O)c(F)c1 584935216 CCMLGQYKBIXPSZ-JTQLQIEISA-N 281.092 -0.196 50 20 CBGD C[C@H](CN1CCCC1=O)NC(=O)c1ccc(B(O)O)cc1 584935562 PETFVSKXFGNREB-SNVBAGLBSA-N 290.128 -0.893 50 20 CBGD CN1CCC[C@H](CNC(=O)c2ccc(B(O)O)cc2)C1 584945211 WTGLZVFOUHWTAZ-LLVKDONJSA-N 276.145 -0.562 50 20 CBGD C[C@H]1[C@H](C)N(C(=O)c2cc(B(O)O)ccc2F)CCN1C 584970934 VKSPPMOECCQPGX-UWVGGRQHSA-N 294.135 -0.330 50 20 CBGD C[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H](C(N)=O)C1 584975314 VSTAUWLNYHZWPO-CABZTGNLSA-N 290.128 -0.908 50 20 CBGD C[C@@H]1C[C@H](O)CN1C(=O)c1ccc(B(O)O)c(F)c1 584980255 UZIUEWOMBPATGO-APPZFPTMSA-N 267.065 -0.899 50 20 CBGD C[C@@H]1C[C@H](NC(=O)c2cc(B(O)O)ccc2F)CO1 585004109 XZXOESWPTRKXEB-APPZFPTMSA-N 267.065 -0.587 50 20 CBGD CCCN1CC[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 585005442 HLKPCPDCZIBBGJ-NSHDSACASA-N 294.135 -0.280 50 20 CBGD OB(O)c1cccc(CNCCCO[C@@H]2CCOC2)c1 585029678 BEFGWRVMBFUJCQ-CQSZACIVSA-N 279.145 -0.348 50 20 CBGD C[C@@H](Cn1cnnc1)NCc1ccc(B(O)O)cc1F 585031438 UTAJKLQEOFWHGI-VIFPVBQESA-N 278.096 -0.725 50 20 CBGD C[S@](=O)C1(CNCc2ccc(B(O)O)cc2F)CC1 585041691 GAVHNRUNNMRKNX-IBGZPJMESA-N 285.149 -0.494 50 20 CBGD CCN1C[C@@H](CNCc2cccc(B(O)O)c2)CC1=O 585045786 LZYIWZCMIWIWJQ-GFCCVEGCSA-N 276.145 -0.676 50 20 CBGD O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](B(O)O)C1 585075646 ICPNOWCESIIBGO-MRVPVSSYSA-N 263.106 -0.023 50 20 CBGD Cc1cnn(CC(=O)NNC(=O)Cc2cc[nH]n2)c1 730090790 OGPLKDYGOJBQJC-UHFFFAOYSA-N 262.273 -0.695 50 20 CBGD O=C(NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)C1CCC1 732142350 XGZYDLWMEYZPFU-SECBINFHSA-N 265.313 -0.055 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCCNC(=O)C1 732200211 XKZWPHHZGWSCJC-SNVBAGLBSA-N 284.360 -0.610 50 20 CBGD CN(CC(=O)NNC(=O)NCc1ccco1)C(=O)C1CC1 733139330 MBIGSJAGLOVUAL-UHFFFAOYSA-N 294.311 -0.022 50 20 CBGD CO[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 733199006 PSWIIYGUCPKJRN-SNVBAGLBSA-N 255.318 -0.345 50 20 CBGD CC(=NNC(=O)CN1CCCC1=O)c1cnccn1 734745344 LBHSZGQQOVSORL-UHFFFAOYSA-N 261.285 -0.061 50 20 CBGD O=C(NNC(=O)C1CC1)c1cn(Cc2ccccn2)nn1 742471956 JAJNWYSZNNQAKU-UHFFFAOYSA-N 286.295 -0.108 50 20 CBGD O=C(NNC(=S)NC1CC1)C(=O)N1CCCC1 748152927 ZPEUOJFFEBTWBB-UHFFFAOYSA-N 256.331 -0.734 50 20 CBGD CCCN1CCC[C@@H]1C(=O)NNC(=O)N1CCOCC1 749598533 CXIKRCPJARKBML-LLVKDONJSA-N 284.360 -0.066 50 20 CBGD CCOC(=O)C(F)(F)[C@@H]1CCC(=NNC(=O)C(N)=O)C1 752719082 RYSGFTDZPQQRMC-ZCFIWIBFSA-N 291.254 -0.058 50 20 CBGD NC(=O)c1ccc(NNC(=O)COC[C@@H]2CCCO2)nn1 757401422 VHIGTWDXUBJQLD-QMMMGPOBSA-N 295.299 -0.786 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cc(C)ccc1F 764295784 QSEHIXPLOLHJIV-UHFFFAOYSA-N 283.259 -0.134 50 20 CBGD CCOCCO[C@@H](C)C(=O)NNC(=O)C(C)(C)O 768255501 KWPZLTGLAKMVTK-QMMMGPOBSA-N 262.306 -0.654 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@H]1CCN(C)C1=O 772943912 DCADXXMDKYGOMS-SNVBAGLBSA-N 291.307 -0.066 50 20 CBGD CNC(=O)NNC(=O)c1ccc([N+](=O)[O-])c(O)c1 781080113 LMZUIUHGYFUGQE-UHFFFAOYSA-N 254.202 -0.126 50 20 CBGD C[C@H](C(=O)NNc1nc2ccccn2n1)S(C)(=O)=O 791243293 NURVQLQIOWHSSC-SSDOTTSWSA-N 283.313 -0.395 50 20 CBGD CC(C)(C)c1ncc(C(=O)NNC(=O)CO)cn1 807198742 NTRWCEYKAGWGEL-UHFFFAOYSA-N 252.274 -0.473 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1nnc2ccccc2n1 810355565 AOJRBXGHNBYLAY-UHFFFAOYSA-N 297.278 -0.248 50 20 CBGD CN(C)C(=O)NN=Cc1ccc(S(N)(=O)=O)cc1 811639625 DSQGHGGNERNOCL-UHFFFAOYSA-N 270.314 -0.061 50 20 CBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)c1ccccc1O 816830465 HYMQQYJGBQLYEW-JGVFFNPUSA-N 277.280 -0.335 50 20 CBGD O=C(CCN1CCCC1=O)NNC(=O)CC1CC1 819114507 KAZRIYZVPSQYAB-UHFFFAOYSA-N 253.302 -0.054 50 20 CBGD COCCN(C)S(=O)(=O)NNC(=O)CC(C)C 821131714 AAERAWGGGARCGW-UHFFFAOYSA-N 267.351 -0.524 50 20 CBGD C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 826710004 DCSAURBFFUFTLE-ZYUZMQFOSA-N 298.343 -0.734 50 20 CBGD CCNC(=O)N(C)NC(=O)C[C@H]1CSCCN1 831944666 FMKFDTJAFZHUCY-QMMMGPOBSA-N 260.363 -0.226 50 20 CBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=O)NC1CCCC1 841387368 SKXPQPJNTBSHKA-POYBYMJQSA-N 270.289 -0.244 50 20 CBGD C[C@@H]1CC(=NNC(=O)C(=O)NN=C2CO[C@H](C)C2)CO1 842522824 QSAUKVPZHNGUCT-HTQZYQBOSA-N 282.300 -0.452 50 20 CBGD CCNC(=O)NNC(=O)C1(n2cnnn2)CCCCC1 845299231 IFBHYROJEKSNOE-UHFFFAOYSA-N 281.320 -0.317 50 20 CBGD C[C@@H]1CCN(S(=O)(=O)NNC(=O)c2cc[nH]n2)C1 849310936 WDCCUDVESXRIMK-SSDOTTSWSA-N 273.318 -0.769 50 20 CBGD C=C[C@H](CO)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 852394042 LINLXBOLNHXVBD-HLTSFMKQSA-N 257.290 -0.711 50 20 CBGD O=C(NNC(=O)[C@H](O)C1CC1)[C@@H]1COc2ccccc2O1 854180563 MZFQYFNZGIPODR-NWDGAFQWSA-N 292.291 -0.255 50 20 CBGD CNC(=S)N(C)NC(=O)/C(C#N)=C/c1cnn(C)c1 854921811 OHTABQAHBYSGDL-RUDMXATFSA-N 278.341 -0.206 50 20 CBGD CNC(=O)NCC(=O)NNC(=S)N[C@@H](C)C1CC1 855098096 DKTRHKODEVPOOQ-LURJTMIESA-N 273.362 -0.791 50 20 CBGD COCCCOCCC(=O)NNc1ccc(C(N)=O)nn1 857150124 NFOJZDQCFBNOAC-UHFFFAOYSA-N 297.315 -0.538 50 20 CBGD Nc1nc(C2CC2)ncc1C(=O)NNC(=O)c1cn[nH]c1 862469229 CMPOTBDXLNZRRB-UHFFFAOYSA-N 287.283 -0.266 50 20 CBGD CN1C(=O)CC[C@@H]1CC(=O)NNC(=O)c1cn[nH]c1 862469598 PTXBBDQKQAJLIJ-MRVPVSSYSA-N 265.273 -0.818 50 20 CBGD C[C@H]1C[C@@H](C(=O)NNC(=O)c2cn[nH]c2)CCO1 862470276 CTOJVOBZLDZFIS-YUMQZZPRSA-N 252.274 -0.014 50 20 CBGD CCOC(=O)CCC(=O)COc1ccc(B(O)O)cc1 863865386 DGYNYPVWLNXNTD-UHFFFAOYSA-N 280.085 -0.342 50 20 CBGD Cc1cc(S(=O)(=O)NNC(=O)N(C)C)sn1 872344484 GMCQPRHGAAAEQU-UHFFFAOYSA-N 264.332 -0.084 50 20 CBGD C=CC(=O)NCCC(=O)NNC(=S)NC(C)(C)C 899996897 XSTKOHRMSBRRIQ-UHFFFAOYSA-N 272.374 -0.028 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 910171225 VFZAZJQRUQJUIL-VHSXEESVSA-N 271.361 -0.023 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)c1cccnc1 912628633 BIMUVKCAJCWLTJ-ZETCQYMHSA-N 250.258 -0.633 50 20 CBGD O=C1CN(CC(=O)NNc2ccc(Cl)cn2)CCN1 912690199 NSMUKANAMMWDRE-UHFFFAOYSA-N 283.719 -0.390 50 20 CBGD CC(=O)NNC(=O)CCN1C(=O)c2ccccc2C1=O 912693756 FSMJXJXVRDQYFD-UHFFFAOYSA-N 275.264 -0.160 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@]1(F)CCOC1 1117356213 CIEXGYQZSVEKJT-LBPRGKRZSA-N 267.260 -0.100 50 20 CBGD NC(=O)NC1(C(=O)NNc2ncncc2F)CC1 1117765703 AZHNQVLVTSCWHS-UHFFFAOYSA-N 254.225 -0.740 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)CN1C(=O)CCC1=O 1317704394 FBDFDQDDYNWUDV-UHFFFAOYSA-N 289.291 -0.095 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1 1323496758 JXMUJVXQJYMCPS-IONNQARKSA-N 274.342 -0.385 50 20 CBGD O=C(NCC1CC1)NNC(=O)c1cccn2c(O)nnc12 1323604847 BAORANPXKIYWED-UHFFFAOYSA-N 290.283 -0.211 50 20 CBGD CCOCC(=O)NNC(=O)NOC[C@H]1CCOC1 1324445709 BXCGCAASHHSPFT-QMMMGPOBSA-N 261.278 -0.679 50 20 CBGD NC(=O)NCCCCC(=O)NNC(=O)N=c1cc[nH]cc1 1325263398 VKAVCSNUMVWZCT-UHFFFAOYSA-N 294.315 -0.505 50 20 CBGD COc1nccnc1NNC(=O)c1cn(C)c(=O)nc1O 1325554689 GXTLBFNGSWNFJM-UHFFFAOYSA-N 292.255 -0.959 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@]1(F)CCOC1 1326553830 WGDMVBIVZWYSON-CPCISQLKSA-N 276.264 -0.396 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCCN1C=O 1328230888 NICIIYCLHGRPRD-SECBINFHSA-N 265.273 -0.900 50 20 CBGD Cc1nn(C)c(C)c1C(=O)N1CC[C@H](B(O)O)C1 1329294234 ZTQMHLZBDDQWCS-VIFPVBQESA-N 251.095 -0.274 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCCC[C@@H]2CCOC2)N1 1331314452 IQWVOBOHPYLZFP-NXEZZACHSA-N 298.343 -0.588 50 20 CBGD COCCn1cc(C(=O)NN(C)C[C@H](C)O)c(=O)cc1C 1332629362 MKYXAQMBWXGKJY-NSHDSACASA-N 297.355 -0.239 50 20 CBGD O=C(Cn1ccccc1=O)NNC(=O)C1CCOCC1 1335089912 MXTREMUAOFONKU-UHFFFAOYSA-N 279.296 -0.578 50 20 CBGD CC(CS(C)(=O)=O)=NNC(=O)C(=O)Nc1ccccn1 1340277408 UGKMMFCWLLMFHD-UHFFFAOYSA-N 298.324 -0.443 50 20 CBGD O=C(Cn1cc(C2CC2)nn1)NNC(=O)NC1CC1 1340376915 UEVGGMGQTKSYDE-UHFFFAOYSA-N 264.289 -0.352 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H]2C(N)=O)c(O)c1 1347929831 CABBBVJXBRZGHJ-RKDXNWHRSA-N 291.307 -0.027 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCn2ccnc2C1 1352231129 SRAINTDMDZMWBO-VHSXEESVSA-N 252.318 -0.211 50 20 CBGD CNC(=S)N(C)NC(=O)CN1CCC(CO)CC1 1353717821 WCRLKXXWVMTJQC-UHFFFAOYSA-N 274.390 -0.842 50 20 CBGD CC(C)c1cc(C(=O)NNC(=O)[C@H]2CCN2)no1 1575850568 UZBCBWGTHSYMAM-SSDOTTSWSA-N 252.274 -0.079 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cccc(-c2nn[nH]n2)c1 1589881669 AODAQEMIKAXHBL-MRVPVSSYSA-N 276.300 -0.176 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O 1596864525 TYROBVRRBYGBRW-YCZQLVKWSA-N 283.284 -0.476 50 20 CBGD O=C(C[C@@H]1CCC(=O)N1)NNc1ccc(C(=O)O)cn1 1601248558 AVJFNWSRAOAEQX-QMMMGPOBSA-N 278.268 -0.108 50 20 CBGD O=C(O)[C@H]1CC(F)(F)CN1C(=O)c1cccc(B(O)O)c1 1602211302 JXPLBRUGDALUIT-SECBINFHSA-N 299.038 -0.699 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1C[C@H](C(=O)O)C1 1603835220 TXCBGRVEWPCLGL-LJGSYFOKSA-N 259.262 -0.784 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](C)CC(=O)O 1609731877 HJWMOKNPZQFVHY-CSMHCCOUSA-N 258.274 -0.330 50 20 CBGD CC(C)S(=O)(=O)CC(=O)NNC(=O)c1cccn1C 79308478 CPHKJDFAUXUMBH-UHFFFAOYSA-N 287.341 -0.391 50 20 CBGD CN(NC(=O)CCn1cnc2sccc2c1=O)C(N)=O 181073512 QURHQROQFNUBSY-UHFFFAOYSA-N 295.324 -0.110 50 20 CBGD COC(=O)[C@H]1CC[C@H]1C(=O)NNc1ncnc2nc[nH]c12 288218394 ZLYUHMFOCNSZOP-RQJHMYQMSA-N 290.283 -0.005 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2NC(=O)O[C@@H]2C)n1 496362390 DYSDCSKBLDNCQL-HTRCEHHLSA-N 281.272 -0.266 50 20 CBGD CC[C@H]1CN(C(=O)COc2ccc(B(O)O)cc2)CCO1 584910393 ZKQKPWPHOUQFFB-LBPRGKRZSA-N 293.128 -0.617 50 20 CBGD CN(C)CCCNC(=O)c1cc(B(O)O)ccc1F 584923244 FOAJASTYYLKFCI-UHFFFAOYSA-N 268.097 -0.813 50 20 CBGD CN1CCC[C@H](N(C)C(=O)c2ccc(B(O)O)c(F)c2)C1 584948735 AYAUCDMREXTJOL-NSHDSACASA-N 294.135 -0.328 50 20 CBGD C[C@H](O)[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584964033 CHIMSGFBERXFCO-CMPLNLGQSA-N 277.129 -0.401 50 20 CBGD COC[C@@H](NC(=O)c1ccc(B(O)O)cc1)[C@@H]1CCCO1 584983441 ODNBOHXYGDWOGN-OLZOCXBDSA-N 293.128 -0.710 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC2(CCOC2)C1 584994582 LKRMAXCWUBCDMU-UHFFFAOYSA-N 279.076 -0.632 50 20 CBGD C[C@@H]1NC(=O)CC[C@H]1CNCc1ccccc1B(O)O 585045969 KWGAZFQYTMXOSU-QWRGUYRKSA-N 276.145 -0.629 50 20 CBGD CC(C)NC(=O)[C@@H](C)NCc1cccc(B(O)O)c1 585046437 RGQBSFDUJOFDIU-SNVBAGLBSA-N 264.134 -0.631 50 20 CBGD N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](B(O)O)C1 585058954 VDMZZNUGPBJOFN-SNVBAGLBSA-N 280.114 -0.204 50 20 CBGD COc1cccc(-c2nc(C(=O)NCB(O)O)no2)c1 585059766 BAJFQPAPRGLWSI-UHFFFAOYSA-N 277.045 -0.513 50 20 CBGD CN(CC(=O)NCB(O)O)c1ccccc1[N+](=O)[O-] 585060595 SVFMHFLAIUVCFN-UHFFFAOYSA-N 267.050 -0.841 50 20 CBGD CN(CC(=O)N1CC[C@@H](B(O)O)C1)C(=O)c1cccs1 585069378 NXOIRNKNERIRTE-SECBINFHSA-N 296.157 -0.105 50 20 CBGD O=C([C@H]1CSCCS1)N1CC[C@@H](B(O)O)C1 585076854 ZWKFPGQYOOGLIX-HTQZYQBOSA-N 261.177 -0.090 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cc(C)n(C)n1 732082793 LXMFWEUWQBKWNB-UHFFFAOYSA-N 262.273 -0.165 50 20 CBGD Cc1ncsc1C(=O)NNC(=O)CCNC(=O)O 738373128 ARGXKTAUYHSGDB-UHFFFAOYSA-N 272.286 -0.130 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@H]2COCCO2)n1 740114246 SEMIKUSTKDRICQ-MRVPVSSYSA-N 267.289 -0.599 50 20 CBGD Cn1cc(C(=O)NNC(=O)NC[C@]2(C)CCCO2)cn1 755232214 WFTCNMOOZKTCFI-LBPRGKRZSA-N 281.316 -0.067 50 20 CBGD CNC(=O)C1(C(=O)NNc2ncc(F)cn2)CCC1 760914101 ATQQNGGVTPGCLM-UHFFFAOYSA-N 267.264 -0.025 50 20 CBGD O=C(CC1CCCCC1)NCC(=O)NNC(=O)CO 777781756 FBWIERVIYGJHRF-UHFFFAOYSA-N 271.317 -0.787 50 20 CBGD CCOC(=O)/C(C#N)=C\N[C@H](COC)C(=O)OC 777870044 QXTKFYGHCDKNMV-JGAIRUGNSA-N 256.258 -0.265 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CO[C@H](C)C2)n[nH]1 784159057 YLJZIZVCCMVKMG-SFYZADRCSA-N 252.274 -0.096 50 20 CBGD CCN(C)C(=O)[C@@H](C)NC(=O)NNC(=O)c1ccc[nH]1 788898686 BODDDPGUADLDPJ-MRVPVSSYSA-N 281.316 -0.175 50 20 CBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)C(N)=O 792523141 MTJIOKQCSUHCDI-UHFFFAOYSA-N 289.295 -0.769 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CC[C@@]1(C)CCC(=O)N1 793927596 YGFXOCASLXBIDL-GFCCVEGCSA-N 271.317 -0.646 50 20 CBGD O=C(CNC(=O)c1ccco1)NN=C1COCCOC1 814826766 GRURCYKQRJRMNB-UHFFFAOYSA-N 281.268 -0.472 50 20 CBGD Cn1nncc1NNC(=O)CNC(=O)CC(C)(C)C 816770472 ZANOYFIBQMPCQN-UHFFFAOYSA-N 268.321 -0.189 50 20 CBGD N=C1NC(=O)[C@@H](CC(=O)NNC(=O)CC2CC2)S1 819122666 DGMBFSLPCLYKMX-ZCFIWIBFSA-N 270.314 -0.510 50 20 CBGD CNC(=S)N(C)NC(=O)COc1c(C)occc1=O 822548222 YIBFNDJEBZQJTO-UHFFFAOYSA-N 285.325 -0.206 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCn1ccnc1 825583279 MZRVVDLUKIGQJO-UWVGGRQHSA-N 281.316 -0.362 50 20 CBGD CC(=O)N[C@@H]1CCN(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1 827261006 YKLISESZMFHUPK-JMJZKYOTSA-N 298.343 -0.637 50 20 CBGD CO[C@H](C)CS(=O)(=O)NNC(=O)[C@H]1CCCCO1 830037265 PXBOKQXZWQVUBZ-RKDXNWHRSA-N 280.346 -0.459 50 20 CBGD CCn1ccc(CC(=O)NNC(=O)C(C)(C)O)n1 845992081 HLQAQCFVTFIEGM-UHFFFAOYSA-N 254.290 -0.636 50 20 CBGD CCOC(=O)/C(C#N)=C/N[C@@H]1CS(=O)(=O)C[C@@H]1OC 849175362 UWVMKWYKHFRYHF-URNYOCNJSA-N 288.325 -0.641 50 20 CBGD O=C(NNS(=O)(=O)CCC1CC1)c1cc[nH]n1 849310815 PZZZZEBCIUJZJW-UHFFFAOYSA-N 258.303 -0.226 50 20 CBGD O=C1NCC[C@H]1C(=O)NNc1ccc(Cl)nn1 857129397 IMDVBZWSHBPAAF-RXMQYKEDSA-N 255.665 -0.291 50 20 CBGD CC[C@H]1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858695714 FLLOKHDTTHBZJE-IUCAKERBSA-N 268.317 -0.262 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)Cc1cc(C)[nH]n1 869013930 BMSWXJUUOULIMW-LLVKDONJSA-N 295.343 -0.871 50 20 CBGD CC(C)C(=O)NNC(=O)CN1[C@@H](C)[C@@H](C)N(C)C(=O)[C@H]1C 878752977 URPHMBLKDFLSKQ-OUAUKWLOSA-N 298.387 -0.271 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cn(C)nc1OC 883966416 LDALLHBUHYFEJZ-UHFFFAOYSA-N 255.278 -0.265 50 20 CBGD CC[C@H](CN1CCOCC1)NCc1cccc(B(O)O)c1 896619397 UVOMPXNYQHOGOX-OAHLLOKOSA-N 292.188 -0.433 50 20 CBGD O=C1CN(CC(=O)NNc2c(F)cccc2F)CCN1 901161960 DDUGJGKMDYFRCC-UHFFFAOYSA-N 284.266 -0.160 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CCCN1C(=O)CCC1=O 910169891 HCWXPLUITDRYNW-SECBINFHSA-N 271.317 -0.741 50 20 CBGD COc1ccnc(NNC(=O)[C@H]2CCC(=O)NC2)n1 917099779 WWPADEBGWXDODS-ZETCQYMHSA-N 265.273 -0.546 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CSCN1C(=O)OCC 930731797 MUGPZUSCUKZMRU-ZETCQYMHSA-N 290.345 -0.132 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCS(=O)(=O)C1)c1ncccn1 1118256709 VHHIXJOPQGFXAS-MRVPVSSYSA-N 298.324 -0.938 50 20 CBGD N#CSCCCNC(=O)CN1C(=O)CNC1=O 1261739893 KNKPNMUQRHIYPU-UHFFFAOYSA-N 256.287 -0.741 50 20 CBGD NC(=O)[C@@H]1CC[C@H](CNC(=O)NNC(=O)C2CCC2)O1 1319109024 HAJOWDJBSDVILU-BDAKNGLRSA-N 284.316 -0.850 50 20 CBGD CCCCNC(=O)NNC(=O)CO[C@@H]1CCOC1 1319368474 OHDUUEJPYOFWAZ-SECBINFHSA-N 259.306 -0.078 50 20 CBGD C[C@H](NC(=O)NNC(=O)C(=O)N1CCCC1)[C@@H]1CCOC1 1321151500 YBXIWKRJWAMKGD-VHSXEESVSA-N 298.343 -0.636 50 20 CBGD Cn1ccnc(NNC(=O)c2ccn(CC(F)F)n2)c1=O 1324918513 CHGSXHYLOPFIAZ-UHFFFAOYSA-N 298.253 -0.001 50 20 CBGD Cn1cncc1CC(=O)NNC(=O)NCC(F)(F)F 1326977122 AQLCAUQUSBNNDL-UHFFFAOYSA-N 279.222 -0.145 50 20 CBGD Cc1cc(S(N)(=O)=O)oc1C(=O)NNC(=O)N(C)C 1327816670 XITDLKKQLQMMOA-UHFFFAOYSA-N 290.301 -0.849 50 20 CBGD O=C(NNC(=O)[C@H]1CCCNC1=O)C1CCOCC1 1332363847 ICRZOQDYDRQNSO-VIFPVBQESA-N 269.301 -0.913 50 20 CBGD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NNc1cccnn1 1337692114 CFOXTTVMJQDBQH-XVKPBYJWSA-N 279.300 -0.805 50 20 CBGD CCn1nc(C)cc1C(=O)NNC(=O)[C@H]1CCN1 1578361323 KTRITSQWGNTPJM-MRVPVSSYSA-N 251.290 -0.666 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H](C(C)C)[C@H](C)N 1579016366 FWDHZRHXBLZCFI-UWVGGRQHSA-N 274.365 -0.027 50 20 CBGD Cc1cccnc1C(F)(F)C(=O)NNC(=O)[C@H]1CCN1 1579807447 AGEGVEXWEDCPRX-MRVPVSSYSA-N 284.266 -0.009 50 20 CBGD C[C@@]1(C(=O)NNC(=O)NCC2(C(=O)O)CC2)CCCO1 1593756590 YTTAYQHZSJUDPD-NSHDSACASA-N 285.300 -0.249 50 20 CBGD COC(=O)Cc1ccc(NNC(=O)[C@H](OC)C(=O)O)cc1 1593854289 FSBBLVRTYPAMQU-NSHDSACASA-N 296.279 -0.055 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cccc(C)c1C(=O)O 1598651572 YYNWBNLRKGNBSR-UHFFFAOYSA-N 287.297 -0.184 50 20 CBGD O=C(O)CCS(=O)(=O)NNC(=O)CCc1ccco1 1602028593 VZWULXSVUCWAOG-UHFFFAOYSA-N 290.297 -0.363 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNC(=O)c1ccc(C#N)cc1 1604434334 JZGFCNYKWYXJRZ-VIFPVBQESA-N 277.236 -0.581 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H](c1ccncc1)C1CC1 1608478239 WWLMPSSLPWMUFH-VIFPVBQESA-N 278.268 -0.052 50 20 CBGD NC(=O)[C@H]1CCCN1C(=O)CI 2048532179 MHVDLSZPLSJARH-RXMQYKEDSA-N 282.081 -0.102 50 20 CBGD COCC(=O)OCC(=O)NNC(=O)c1ccccc1 5692420 WWDBZAMUTUNMOT-UHFFFAOYSA-N 266.253 -0.363 50 20 CBGD CCOC(=O)NNC(=O)CS(=O)(=O)C(C)C 55410672 ZTYHVHQMRDRTCZ-UHFFFAOYSA-N 252.292 -0.413 50 20 CBGD CCNC(=O)NNC(=O)C(=O)Nc1ccccc1 139182978 IFWOTXKLANRZAZ-UHFFFAOYSA-N 250.258 -0.025 50 20 CBGD CN(CC(=O)NNc1ccc(C#N)cc1)S(C)(=O)=O 155200122 ZYMLDKGCDNVAOK-UHFFFAOYSA-N 282.325 -0.107 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccc2c(c1)OCCO2 254380237 KYXULEBBNJVIEG-UHFFFAOYSA-N 263.253 -0.217 50 20 CBGD O=C(Cc1ccc(O)cc1)NCC(=O)NNC(=O)C1CC1 263886957 DPJCXQALZKATOA-UHFFFAOYSA-N 291.307 -0.392 50 20 CBGD COCCCOCC(=O)NNc1nccc(OC)n1 271725203 LJAQQJKLOUINJR-UHFFFAOYSA-N 270.289 -0.019 50 20 CBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1nc[nH]n1 273179729 FXUQYBXBJJBQMX-LURJTMIESA-N 298.303 -0.521 50 20 CBGD CNC(=O)NNC(=O)C(C)(C)NC(=O)C(F)(F)F 277006355 ADHFLUGQFCRPFO-UHFFFAOYSA-N 270.211 -0.596 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CC(c2cccnc2)=NO1 277913932 IDAUNFQOKWOPNQ-JTQLQIEISA-N 292.295 -0.507 50 20 CBGD COc1cc(C)nc(NNC(=O)C[C@@H](CN)OC)n1 278242402 LLKWSBOJJUIPOP-QMMMGPOBSA-N 269.305 -0.399 50 20 CBGD COC(=O)N(C)NC(=O)CN(C)c1ncnc2nc[nH]c12 286552025 ZGDQYXCDBZCKAW-UHFFFAOYSA-N 293.287 -0.482 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 371346057 UKDJUNZQLOPFIK-AAXQSMANSA-N 287.341 -0.290 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)CCO1 584926599 UQRWKCGMJWXHBH-MRVPVSSYSA-N 267.065 -0.634 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)[C@H](C)CO1 584927130 CUEXCZCCXDUUBG-RKDXNWHRSA-N 281.092 -0.245 50 20 CBGD CN(C)CC1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584945419 HVVVRLUTRZXYEM-UHFFFAOYSA-N 290.172 -0.220 50 20 CBGD CO[C@H](C)[C@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584979630 ZXEMURSECYCAKG-JGVFFNPUSA-N 269.081 -0.341 50 20 CBGD C[C@@H]1c2nncn2CCN1C(=O)c1cccc(B(O)O)c1 584980907 OEEDNCOBEMNTPV-SECBINFHSA-N 286.100 -0.825 50 20 CBGD CN(C(=O)c1cccc(B(O)O)c1)[C@H]1CCCOC1 584988122 FBBSPVKTDKQHKD-LBPRGKRZSA-N 263.102 -0.383 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@H](O)CC1 584993928 BBOBUKCQQSGEHC-LBPRGKRZSA-N 263.102 -0.647 50 20 CBGD C[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)C1(CO)CC1 585005708 DLEURGXUKVFJEY-QMMMGPOBSA-N 281.092 -0.604 50 20 CBGD O=C(NCCOC(F)F)c1cc(B(O)O)ccc1F 585008859 XLZXAFCADTXONM-UHFFFAOYSA-N 277.007 -0.526 50 20 CBGD C[C@H](CC[S@@](C)=O)NCc1ccccc1B(O)O 585029555 ATKKHEQBBYTPOR-MLCYQJTMSA-N 269.175 -0.387 50 20 CBGD CCN1C[C@H](NCc2cccc(B(O)O)c2)CC1=O 585043077 HLVHZSFKFYUTSY-GFCCVEGCSA-N 262.118 -0.923 50 20 CBGD Nc1cccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)c1 585056813 XRYLCYDGQKRGML-QMMMGPOBSA-N 270.119 -0.494 50 20 CBGD O=C(CCCn1c(=O)oc2ccccc21)NCB(O)O 585058269 CZIAPYUKLTWJQX-UHFFFAOYSA-N 278.073 -0.497 50 20 CBGD O=C(O)[C@H](C(=O)N1CC[C@@H](B(O)O)C1)C1CCCC1 585068179 YESLAFVJCPBUAP-ZJUUUORDSA-N 269.106 -0.047 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=S)NC1CC1 734013654 UEJVQGREJPBPAN-ZETCQYMHSA-N 261.347 -0.304 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)Cn1ccccc1=O 747428853 YFUNLHGNHDLCBX-UHFFFAOYSA-N 286.291 -0.367 50 20 CBGD Cn1ccnc(NNC(=O)COCC2CC2)c1=O 747945468 IJDIGCDPGRSOIW-UHFFFAOYSA-N 252.274 -0.350 50 20 CBGD CN(C)c1nccc(NNC(=O)c2coc(C(N)=O)c2)n1 760301581 FLYBLBWFZBCUCM-UHFFFAOYSA-N 290.283 -0.009 50 20 CBGD CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 772638021 BPRMDVJWMPZXLC-JTQLQIEISA-N 298.387 -0.077 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@@H](CO)C1 772777153 MPGXMUOBLKCSQR-SECBINFHSA-N 257.334 -0.506 50 20 CBGD COC(=O)NNS(=O)(=O)c1cn2c(n1)CCCC2 779830496 VZWNTGXBMKUHAK-UHFFFAOYSA-N 274.302 -0.231 50 20 CBGD CCN1CCCN(CC(=O)NNC(=O)C2CC2)CC1=O 787326195 WOLQIMJIANHWBN-UHFFFAOYSA-N 282.344 -0.902 50 20 CBGD CC(C)NC(=O)NNC(=O)c1cc([N+](=O)[O-])n[nH]1 795793324 WLSOAXIXYBERBR-UHFFFAOYSA-N 256.222 -0.330 50 20 CBGD C=CCNC(=S)NNC(=O)C1(S(C)(=O)=O)CC1 798305437 OZFZAPVPFJDDGB-UHFFFAOYSA-N 277.371 -0.755 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(CC)CCOCCO 800429018 BXKRSAKXSNNNOW-JTQLQIEISA-N 275.349 -0.737 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[S@@](=O)CC 803476807 LPGCGXSHNRNAGV-MDTSDYNXSA-N 278.330 -0.756 50 20 CBGD C[C@@H]1CSC[C@@H]1NC(=O)NNC(=O)C(=O)NC1CC1 807475643 JDJAHQHDARVSAY-SVRRBLITSA-N 286.357 -0.653 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CC(=O)N(C)C1 818386700 CYQNHVBLHBNCFG-DJLDLDEBSA-N 269.301 -0.963 50 20 CBGD C[C@@H](CN(C)C)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 827071350 DBNXYBJLJLWXMC-IVZWLZJFSA-N 272.349 -0.308 50 20 CBGD CC(C)C(=O)NNC(=O)NCC1(C(=O)O)CCOCC1 833467635 PJPKFNQHXIYLBW-UHFFFAOYSA-N 287.316 -0.146 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 843970819 LSGRFHCLVYMWHX-ZDCRXTMVSA-N 297.355 -0.150 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCCC(=O)N1 843972912 WGOMVBWYYHESIZ-HRDYMLBCSA-N 269.301 -0.773 50 20 CBGD Cc1nc(CC(=O)NNC(=O)[C@@H]2CCCCO2)n[nH]1 854682996 JMHCKCUKJNFWOF-QMMMGPOBSA-N 267.289 -0.628 50 20 CBGD Cc1ccc(F)cc1NNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 855370040 LJIDZGVPVUVTAY-JHJVBQTASA-N 296.298 -0.010 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)NC[C@H]1COCCN1 861681568 QPWXRWWTFXTUHH-NSHDSACASA-N 292.339 -0.073 50 20 CBGD CN(CC(F)F)C(=O)c1cc(B(O)O)ccc1F 863873841 IJYKQBZFNYFATQ-UHFFFAOYSA-N 261.008 -0.157 50 20 CBGD COC(=O)C1(CNC(=O)c2ccc(B(O)O)cc2)CC1 863879635 WZQQEJLIYGDXDD-UHFFFAOYSA-N 277.085 -0.951 50 20 CBGD COCCOCC(=O)NNC(=O)c1ncccc1OC 869901726 XAGUWWDDFZYQKB-UHFFFAOYSA-N 283.284 -0.486 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)n1cccn1 912994282 BQCOYINGCIXMNC-MRVPVSSYSA-N 267.289 -0.884 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)CN2CCCC2=O)CO1 913731892 ACSWFWUADVHHIW-BDAKNGLRSA-N 269.301 -0.819 50 20 CBGD CNC(=O)NNC(=O)CCN1C(=O)NC2(CCCC2)C1=O 919877727 VNVVGTCMDPKJOD-UHFFFAOYSA-N 297.315 -0.799 50 20 CBGD Cc1cnc(CNC(=O)NNC(=O)C(=O)NC2CC2)s1 1116169006 SBLYULUFYIZJOD-UHFFFAOYSA-N 297.340 -0.439 50 20 CBGD CC(C)n1nccc1NC(=O)NNC(=O)CCO 1254971900 TZYMSZQTFMGHPY-UHFFFAOYSA-N 255.278 -0.001 50 20 CBGD CC(C)CC(=O)NNC(=O)NC[C@H]1CCS(=O)(=O)C1 1317872370 WYKSPHVNKLDNPP-SECBINFHSA-N 291.373 -0.202 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC(C)(C)C[C@H](C)O 1318882174 IYJGDDBGZZSMMY-ZETCQYMHSA-N 275.305 -0.713 50 20 CBGD NC(=O)[C@H]1CC[C@H](CNC(=O)NNC(=O)C2CCC2)O1 1319109027 HAJOWDJBSDVILU-RKDXNWHRSA-N 284.316 -0.850 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)CCC1=O 1319601471 OEUVHLABMDKEST-NXEZZACHSA-N 295.339 -0.239 50 20 CBGD CC#CC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1321233519 ZCNAONJIPKTPSN-UHFFFAOYSA-N 287.323 -0.136 50 20 CBGD C=C[C@H](COC)NC(=O)NNC(=O)C(=O)N1CCCC1 1324032400 QPCUBIDCEBMNHF-SECBINFHSA-N 284.316 -0.860 50 20 CBGD Cc1c(C(=O)NNc2cccnn2)nnn1-c1ccn(C)n1 1324324954 LOKAXAJEGJAVDB-UHFFFAOYSA-N 299.298 -0.144 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1c([N+](=O)[O-])cnn1C 1326383638 SDQOMRRCUYXSSS-RQJHMYQMSA-N 297.271 -0.486 50 20 CBGD C=CCn1cc(CNC(=O)NNC(=O)COCC)nn1 1326680101 SVCJFPWQPYKIJA-UHFFFAOYSA-N 282.304 -0.669 50 20 CBGD COCC#CC(=O)NNC(=O)Cc1cc(C)[nH]n1 1329584645 SLTWGTYCINLQQE-UHFFFAOYSA-N 250.258 -0.942 50 20 CBGD O=C(NNC(=O)[C@H]1CCNC1=O)OCC(F)(F)F 1330966107 IHEJKVMEGLBPHQ-BYPYZUCNSA-N 269.179 -0.558 50 20 CBGD CO[C@H](C)CNC(=O)NNC(=O)C1CCOCC1 1333163446 MBKUIEQINBRIJW-MRVPVSSYSA-N 259.306 -0.222 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCOC1)C1CCOCC1 1334305784 AKFZKBXLGBCQSU-SNVBAGLBSA-N 256.302 -0.013 50 20 CBGD CC(C)(O)C(=O)NNC(=O)C1([C@]2(O)CCCNC2)CCC1 1575378932 VBHYAAFRMMMXSF-AWEZNQCLSA-N 299.371 -0.811 50 20 CBGD COc1ccc(C(=O)NNC(=O)C[C@@H](O)CN)cc1 1579193621 AONRMGSAABERCH-SECBINFHSA-N 267.285 -0.834 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C(C)(C)C(=O)O 1594442133 IYJWDWCPMRAIKJ-UHFFFAOYSA-N 254.246 -0.410 50 20 CBGD O=C(Cn1ncnn1)NNc1ccccc1C(=O)O 1601391642 QDBJDPAAGJIBRJ-UHFFFAOYSA-N 262.229 -0.485 50 20 CBGD O=C(O)CC1CC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1601939910 GEAGNJIATQTBHZ-BRFYHDHCSA-N 288.325 -0.222 50 20 CBGD O=C(CN1CCCC1=O)NNc1ccc(C(=O)O)cn1 1610664069 NUQIVUDVJUHBQG-UHFFFAOYSA-N 278.268 -0.155 50 20 CBGD COCC(=O)NNC(=O)COc1ccccc1OC 58175458 QNGUNFYMVSELHL-UHFFFAOYSA-N 268.269 -0.132 50 20 CBGD CN(C)c1cccc(C(=O)NNC(=O)c2cn[nH]n2)c1 80199200 WDWLPTYJJWIHSJ-UHFFFAOYSA-N 274.284 -0.055 50 20 CBGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNC(=O)c1ccc[nH]1 122389229 WFZWRNPYPVCREE-UHFFFAOYSA-N 292.255 -0.111 50 20 CBGD CN1CC(=O)N(CC(=O)NNC(=O)OC(C)(C)C)C1=O 263673682 JMNNAXCQKLSKHO-UHFFFAOYSA-N 286.288 -0.564 50 20 CBGD CN(C)CC(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1 263904246 FIQVUZSPIYJUEK-UHFFFAOYSA-N 296.283 -0.317 50 20 CBGD Cc1nc2c(c(C)c1CCC(=O)NN)c(=O)[nH]n2C 270213213 JZNXVOFRQOJDRI-UHFFFAOYSA-N 263.301 -0.199 50 20 CBGD CC(C)[C@@H](C(=O)NNc1nnc[nH]1)N1CCCC1=O 293850489 HSFWIHVRQYGSIP-VIFPVBQESA-N 266.305 -0.105 50 20 CBGD CN(CCC#N)C(=O)c1cc(B(O)O)ccc1F 584935057 ZQCRYPQNPWQRHV-UHFFFAOYSA-N 250.038 -0.509 50 20 CBGD N#CC1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584938392 ZYTDJALBBNUUJD-UHFFFAOYSA-N 276.076 -0.119 50 20 CBGD Cc1cc(C[C@H](C)NC(=O)c2cccc(B(O)O)c2)n[nH]1 584965031 OCGHFZRIYJURKW-VIFPVBQESA-N 287.128 -0.241 50 20 CBGD O=C(N[C@H]1C[C@@H]2CCCCN2C1)c1cccc(B(O)O)c1 584997740 ITJDKRBGBFHOQD-KBPBESRZSA-N 288.156 -0.277 50 20 CBGD CN1CCC(F)(F)[C@H](CNCc2ccc(B(O)O)o2)C1 585045809 MQVBNFWXDPSJFW-SECBINFHSA-N 288.103 -0.364 50 20 CBGD CN1CCC(F)(F)[C@@H](CNCc2ccc(B(O)O)o2)C1 585045810 MQVBNFWXDPSJFW-VIFPVBQESA-N 288.103 -0.364 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CS(C)(=O)=O)c1 727348543 ULPLXDRULMKRKJ-UHFFFAOYSA-N 270.310 -0.199 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCN1CCOCC1 732086705 GRFYFNZIZRCLAT-UHFFFAOYSA-N 281.316 -0.799 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnn(C)c1C(F)F 733359752 PQLRBPCSSFINGF-UHFFFAOYSA-N 275.259 -0.320 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 733776600 NVBHNHLNBLAFSW-KXUCPTDWSA-N 271.317 -0.079 50 20 CBGD C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)C(=O)N1CCCC1 746185477 JNKQUUOPJYZURE-PHIMTYICSA-N 296.371 -0.371 50 20 CBGD CC(=O)Nc1cc(C(=O)NNC(=O)CO)ccc1F 753451404 FAGXPRLPJGLWIL-UHFFFAOYSA-N 269.232 -0.463 50 20 CBGD Cn1cnc(-c2ccc(C(=O)NNC(=O)CO)cc2)n1 753453054 XCYSLVTUHJEIHP-UHFFFAOYSA-N 275.268 -0.765 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H](O)c1ccccc1 755284841 YOZLDMYLNJAOGF-GFCCVEGCSA-N 274.280 -0.167 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCO2 763438310 PTAYKVQWMYVENL-UHFFFAOYSA-N 279.252 -0.089 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1C[C@@]12CCOC2 764090557 BINUCHOUOFWDBD-BXKDBHETSA-N 264.285 -0.094 50 20 CBGD Cn1ccnc(NNC(=O)C(=O)OC(C)(C)C)c1=O 764873642 MTNRGZIWCCPKIF-UHFFFAOYSA-N 268.273 -0.435 50 20 CBGD CCc1[nH]nc(C(=O)NNC(=O)NC2CC2)c1[N+](=O)[O-] 767724542 XSVKRKPQYSRDKA-UHFFFAOYSA-N 282.260 -0.013 50 20 CBGD C[C@@H](NC(=O)c1cccs1)C(=O)NNC(=O)CO 777781814 KSIIMIVXYMZVCT-ZCFIWIBFSA-N 271.298 -0.994 50 20 CBGD CC(=O)NNC(=O)CCn1c(=O)nc(O)c2ccccc21 789832860 BAGIGXCUBZWENU-UHFFFAOYSA-N 290.279 -0.341 50 20 CBGD O=C(C[C@@H]1CCCC(=O)N1)NNc1ncnc2[nH]cnc12 809687977 WYQALWYXGKEIST-ZETCQYMHSA-N 289.299 -0.145 50 20 CBGD C[C@H](C(=O)NNc1cnnn1C)n1nnnc1C(C)(C)C 816770072 IXKCCXIOZBDXRM-SSDOTTSWSA-N 293.335 -0.197 50 20 CBGD CCN(CCO)NC(=O)c1cccc(C(=O)OC)n1 823847093 RBDKZHKAAKYNHY-UHFFFAOYSA-N 267.285 -0.173 50 20 CBGD CCc1cc(C(=O)NNC(=O)COCCOC)n(C)n1 825135863 AMGJAYUQQNUBMI-UHFFFAOYSA-N 284.316 -0.594 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cnc2n1CCC2 826667158 MXQFBSWDMCQFGY-UHFFFAOYSA-N 274.284 -0.444 50 20 CBGD C=C[C@@H](CC)CC(=O)NNC(=O)CS(C)(=O)=O 827588058 LFCJNPYCKUTSBN-QMMMGPOBSA-N 262.331 -0.219 50 20 CBGD CSCCNC(=S)NNC(=O)c1cc(O)n[nH]1 831575535 NKOWUIMJXDBONO-UHFFFAOYSA-N 275.359 -0.413 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)[C@H]2CCNC2=O)n1 831983628 USHFPJDHWRVYNG-BYPYZUCNSA-N 270.680 -0.709 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1C[C@@H](C)O[C@@H]1C 834955721 HNNOXWRTVZTJCI-GJMOJQLCSA-N 277.346 -0.406 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CN1CSCC1=O 843643015 BWGZXKNFZNNRSY-SFYZADRCSA-N 287.341 -0.908 50 20 CBGD Cc1nonc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843651073 KKVUZVMPGBOSMZ-NKWVEPMBSA-N 254.246 -0.436 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnn2ncccc12 843970060 BFDCROQGKGOHFH-DTWKUNHWSA-N 289.295 -0.085 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](C)N1CCN(C)CC1 843977676 GZFYIVNKINDVQA-SRVKXCTJSA-N 298.387 -0.805 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@H]1CCc2nnnn2CC1 845298945 FEHXAFCOLYHIOE-VIFPVBQESA-N 293.331 -0.634 50 20 CBGD CN1C(=O)CC[C@H]1CC(=O)NNC(=O)c1ccncc1 854117047 CKXDXRSWDFVPJP-JTQLQIEISA-N 276.296 -0.147 50 20 CBGD O=CN1CCC[C@H]1C(=O)NNC(=O)c1cccc(F)n1 856426621 BSTQYLPPJPDHSD-VIFPVBQESA-N 280.259 -0.398 50 20 CBGD CN(C)C(=O)CNC(=O)NNc1ncc(Cl)cn1 856831371 FQFMNMVJXUNVAJ-UHFFFAOYSA-N 272.696 -0.156 50 20 CBGD CC(C)=CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858388067 RYEMGKLLHVBEIZ-MRVPVSSYSA-N 254.290 -0.438 50 20 CBGD O=C(COC1CCCC1)NNC(=O)[C@H]1CCC(=O)N1 862451807 GXJKHLOTLHNSTL-SECBINFHSA-N 269.301 -0.628 50 20 CBGD CCc1nc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)co1 862461732 QTKGBMWPCQKKOA-ZCFIWIBFSA-N 266.257 -0.723 50 20 CBGD CC(C)OCCONC(=O)c1ccc(B(O)O)cc1 863883003 UFGMQLQKWFJIBV-UHFFFAOYSA-N 267.090 -0.547 50 20 CBGD O=C(N[C@H]1C[C@@H](CO)C1)c1cc(B(O)O)ccc1F 869870691 HAMJAJZVMFLFIL-OTSSQURYSA-N 267.065 -0.994 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)N1C[C@H]2COC[C@H]2C1 872877175 XZSKUGYVCGWUPR-TXEJJXNPSA-N 290.323 -0.057 50 20 CBGD CCN1CCCN(C(=O)c2cccc(B(O)O)c2)[C@@H](C)C1 910270223 OUYDTOUOUQRBEK-LBPRGKRZSA-N 290.172 -0.077 50 20 CBGD O=C(NN=C1COc2cc(O)ccc21)C(=O)NC1CC1 915955290 APSMZJAUHDLUMS-UHFFFAOYSA-N 275.264 -0.117 50 20 CBGD CCNC(=O)NNC(=O)CS(=O)(=O)C(C)C 920858119 QVCUANOFEOMAPO-UHFFFAOYSA-N 251.308 -0.840 50 20 CBGD COCCCNC(=O)NNC(=O)COCC(F)(F)F 920862654 LTHDHDFWEZMSRG-UHFFFAOYSA-N 287.238 -0.068 50 20 CBGD Cc1cc(C(=O)NNc2nc(O)c3cnn(C)c3n2)n[nH]1 1116320718 ROJFUYJKBLYXAV-UHFFFAOYSA-N 288.271 -0.143 50 20 CBGD CCOc1nc(C(=O)NNC(=O)C(=O)NC2CC2)co1 1116558049 YYTJUQHZAWLELI-UHFFFAOYSA-N 282.256 -0.887 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)Cc2cc[nH]n2)CCO1 1116560403 LENSYNRSXQDUOW-RKDXNWHRSA-N 266.301 -0.085 50 20 CBGD COC(=O)NNC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 1116604362 QLMSOUKICGTBIV-UHFFFAOYSA-N 291.267 -0.428 50 20 CBGD CC(C)(C)C(=O)Cn1cc(C(=O)NNc2nc[nH]n2)nn1 1117722226 OPQCUWHWIWCOMW-UHFFFAOYSA-N 292.303 -0.232 50 20 CBGD Nc1nccnc1C(=O)NNC(=O)OCC(F)(F)F 1118790980 RYGUXHQXVYVWJJ-UHFFFAOYSA-N 279.178 -0.008 50 20 CBGD CCOc1cccc(C=NNC(=O)C(N)=O)c1O 1317703250 GAAHVBWOPZKIPY-UHFFFAOYSA-N 251.242 -0.274 50 20 CBGD CCc1cc(C(=O)NNC(=O)c2cnn(C)c2)nn1C 1319979440 PWLYGIXJUBEGAY-UHFFFAOYSA-N 276.300 -0.209 50 20 CBGD COc1cc(NC(=O)C(=O)NNC(=O)C(C)(C)C)ncn1 1320224024 IZSZVCVYKIKADD-UHFFFAOYSA-N 295.299 -0.383 50 20 CBGD C[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)n1ccnc1 1321027046 IFCVVSUMYDNTGJ-QMMMGPOBSA-N 262.273 -0.443 50 20 CBGD CCNC(=O)NNC(=O)c1nnn(-c2ccn(C)n2)c1C 1324178573 QCCJBTKAJAWHRH-UHFFFAOYSA-N 292.303 -0.727 50 20 CBGD Cc1cc(C)nc(NNC(=O)C(=O)NCC(F)F)n1 1324670275 VSUPVLZPMAUVQW-UHFFFAOYSA-N 273.243 -0.082 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CCCCN1Cc1cccnc1 1325300896 WFHIHYPWDXKJDR-GFCCVEGCSA-N 292.339 -0.424 50 20 CBGD O=C(NNC(=O)c1ccc(F)cn1)C(=O)N1CCCC1 1327084679 FJFWDFJWCUVSBP-UHFFFAOYSA-N 280.259 -0.396 50 20 CBGD O=C(NC[C@H]1CCCO1)NNC(=O)c1cccnn1 1331262892 ONJAIWJLNONQCW-MRVPVSSYSA-N 265.273 -0.400 50 20 CBGD O=C(CC[C@@H]1NC(=O)NC1=O)NNc1cccc(F)n1 1347786507 WDDCUHGORWGSHB-LURJTMIESA-N 281.247 -0.348 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)c(O)c1 1347929829 CABBBVJXBRZGHJ-DTWKUNHWSA-N 291.307 -0.027 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCc2ncncc2C1 1350779031 WMVPINKNALPBRT-ZJUUUORDSA-N 264.329 -0.075 50 20 CBGD CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)N1CCN(C)CC1 1353680139 WIIRYVZJORZGTN-GHMZBOCLSA-N 284.360 -0.210 50 20 CBGD CO[C@@H]1CN[C@](C)(C(=O)NNC(=O)c2cccnn2)C1 1573960200 GPMUWEMRQGQGEA-UFBFGSQYSA-N 279.300 -0.995 50 20 CBGD CCC[C@H](C)N1C[C@H](C(=O)NNC(=O)CCCN)CC1=O 1577344533 DNSJILQEIWWECE-WDEREUQCSA-N 298.387 -0.090 50 20 CBGD Cc1ccc(NC(=O)NNC(=O)CO)cc1C(=O)O 1600455025 BVOSYMBVHVIAIC-UHFFFAOYSA-N 267.241 -0.162 50 20 CBGD COC(=O)[C@@H]1CC[C@H](C(=O)O)CN1S(=O)(=O)CCl 1606388122 LWLFUCZBCYBEQC-BQBZGAKWSA-N 299.732 -0.149 50 20 CBGD CNC(=O)NNC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 128563770 JAHFFDOPOFQJCI-OCAPTIKFSA-N 282.300 -0.878 50 20 CBGD CN1C[C@H](NC(=O)NNc2cccnn2)CC1=O 267674195 PLHPTJPAJGWUPC-SSDOTTSWSA-N 250.262 -0.667 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@H]2CCCS2)nn1 268304803 XVUMDMKQFZRXRF-SSDOTTSWSA-N 267.314 -0.086 50 20 CBGD CN1CC(=O)N(CC(=O)NNc2ncccc2F)C1=O 286018333 POQGMMMOGJAICD-UHFFFAOYSA-N 281.247 -0.442 50 20 CBGD NC(=O)[C@@H]1CC[C@@H](CNC(=O)NNc2cccc(F)n2)O1 287049188 MTNBHOUUFRGVSS-YUMQZZPRSA-N 297.290 -0.120 50 20 CBGD C[C@H]1C[C@H](O)CN1CC(=O)NNC(=O)c1cccs1 384973973 TWLYUYSHNOGUBN-IUCAKERBSA-N 283.353 -0.036 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)NCC(C)(CO)CO)cn1 491005355 AZJROTIPLRJAGY-JYOAFUTRSA-N 278.312 -0.566 50 20 CBGD CCCNC(=O)NNC(=O)CCCNC(=O)OC 491267262 XKLZCHCSLCCWBT-UHFFFAOYSA-N 260.294 -0.137 50 20 CBGD CCOC(=O)NNS(=O)(=O)C[C@H]1CCCO1 491318566 CTTHUZOEIWDUKZ-SSDOTTSWSA-N 252.292 -0.254 50 20 CBGD C[C@@H](Cc1cnn(C)c1)C(=O)Nc1cccc(B(O)O)c1 584910441 BKBPYJJSTRVMFF-JTQLQIEISA-N 287.128 -0.083 50 20 CBGD C[C@@H]([C@@H](C)NC(=O)c1ccc(B(O)O)cc1)n1cncn1 584943300 HMAYATWNSLRGMI-ZJUUUORDSA-N 288.116 -0.663 50 20 CBGD C[C@@H]1C[S@](=O)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584948978 JQBPXUQOMUDELJ-ZPWHCFADSA-N 299.132 -0.902 50 20 CBGD C[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@@H](C)N1C 584995834 ZXIILCJADREMCN-AOOOYVTPSA-N 294.135 -0.330 50 20 CBGD CCCCn1nnnc1CNCc1ccc(B(O)O)cc1 585028866 OMSMJWBADZLZGA-UHFFFAOYSA-N 289.148 -0.557 50 20 CBGD CCO[C@H]1COCC[C@@H]1NCc1ccc(B(O)O)o1 585034356 IJQJHSRQFRTWFW-QWRGUYRKSA-N 269.106 -0.757 50 20 CBGD CC(C)CN(C)S(=O)(=O)N1CC[C@@H](B(O)O)C1 585058078 AAHABVJESFIJOZ-SECBINFHSA-N 264.156 -0.632 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(C(N)=O)s1 733359551 RDOTWYHAXNIXRW-UHFFFAOYSA-N 270.314 -0.830 50 20 CBGD COc1ncc(C(=O)NNC(=O)c2cccn2C)cn1 733949325 KPGDANIDMXCHQT-UHFFFAOYSA-N 275.268 -0.102 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCc2c[nH]nc2C1 743333562 SVBOCJWBDDEIRE-MRVPVSSYSA-N 265.317 -0.776 50 20 CBGD CN(C)C(=O)NNC(=O)COc1ccc(C(N)=O)cc1 746013165 WKBSUUZNJXVPIH-UHFFFAOYSA-N 280.284 -0.533 50 20 CBGD CC(=O)NCC(=O)NCC(=O)NNc1cccc(F)c1 748091169 IISNQBAGENERSH-UHFFFAOYSA-N 282.275 -0.479 50 20 CBGD CCNC(=O)NNC(=O)CCOc1ccc(C(N)=O)cc1 748702187 GIHQSUDHSDTZJK-UHFFFAOYSA-N 294.311 -0.095 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@@H]1C1CC1)C(=O)NC1CC1 751309004 LSKSUEFNHUUSPA-RKDXNWHRSA-N 251.286 -0.542 50 20 CBGD O=C(CO)NNC(=O)CSCC(=O)c1ccccc1 753439450 YZMGBDPEZQHVIU-UHFFFAOYSA-N 282.321 -0.258 50 20 CBGD CCCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)CO 753440198 RTPBMXVSOYNXJC-MRVPVSSYSA-N 289.357 -0.782 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)CN2CCCNC2=O)n1 753453280 DBUPWGJDFZMGIC-UHFFFAOYSA-N 299.722 -0.429 50 20 CBGD Cc1cc(NC(=O)NNC(=O)CO)ccc1-n1cnnn1 755679965 QBWWWAYSBDYNCH-UHFFFAOYSA-N 291.271 -0.884 50 20 CBGD Cc1cscc1NC(=O)C(=O)NNC(=O)CO 764422748 YMFOUHCXGOBNDW-UHFFFAOYSA-N 257.271 -0.865 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 770664164 WFMASERNNVCDEU-AXFHLTTASA-N 290.385 -0.096 50 20 CBGD C[C@H](NC(=O)c1cccs1)C(=O)NNC(=O)CO 777781812 KSIIMIVXYMZVCT-LURJTMIESA-N 271.298 -0.994 50 20 CBGD COc1cccc(NNC(=O)CCNC(N)=O)n1 780772848 JYCBUNZSVCDVCS-UHFFFAOYSA-N 253.262 -0.408 50 20 CBGD COC1(CNC(=O)NNC(=O)C(=O)NC2CC2)CCC1 780861533 RTPXHIHVKGFJJV-UHFFFAOYSA-N 284.316 -0.836 50 20 CBGD COCCCNC(=O)NNC(=O)C1(OC)CCC1 781956367 XFSBOKUIBVEWSM-UHFFFAOYSA-N 259.306 -0.078 50 20 CBGD C[C@H](NC(=O)COC(=O)/C(C#N)=C\C1CC1)C(=O)N(C)C 786680210 WDUKXEAOVRENOB-ISAHRAOESA-N 293.323 -0.018 50 20 CBGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNC(=O)C(C)(C)O 787948988 IGJXCXIDWRMIJV-UHFFFAOYSA-N 285.260 -0.982 50 20 CBGD CC[C@H](NNC(=O)[C@H](C)OCCOC)C(=O)OC 790444627 JSUWVGPQXUNUIC-IUCAKERBSA-N 262.306 -0.390 50 20 CBGD CC(C)C(=O)NNC(=O)NCC1([S@](C)=O)CC1 799403643 NUQJKOIOYRQJKJ-KRWDZBQOSA-N 261.347 -0.116 50 20 CBGD Cc1[nH]c(C=NNC(=O)C(=O)NC(C)C)cc1C(=O)O 800809387 MFQGGBOKFUXVOQ-UHFFFAOYSA-N 280.284 -0.004 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCN(C)CC1 807381202 IJVUWDARIUPGSX-ZJUUUORDSA-N 270.333 -0.600 50 20 CBGD CN(C)CC(=O)NNC(=O)c1conc1C1CC1 810333755 JPGWTMJWZDVGLQ-UHFFFAOYSA-N 252.274 -0.125 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCCC(=O)O)n1 818814253 KZMAEYKANIIGEP-UHFFFAOYSA-N 297.315 -0.305 50 20 CBGD CN(C)CC(=O)NN=Cc1ccc(-c2nn[nH]n2)s1 821583322 RAFKLKKPGNLOOA-UHFFFAOYSA-N 279.329 -0.060 50 20 CBGD CCN(CCO)NC(=O)[C@@H](C)CN1CCOCC1 823869151 BCSLUBBFOOSZEZ-NSHDSACASA-N 259.350 -0.700 50 20 CBGD CCN(CCO)NC(=O)CCc1nc(N(C)C)no1 823874528 TZIVWTDFMNAUPH-UHFFFAOYSA-N 271.321 -0.586 50 20 CBGD O=C(NNc1ccnc(F)c1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 831918599 QKBUKLPRAYAWEZ-FXPVBKGRSA-N 283.259 -0.923 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H]1[C@H](C)CCN[C@@H]1C 842476882 VLQHFWJDMHMPSP-MWGHHZFTSA-N 270.377 -0.092 50 20 CBGD C=C(C)CONC(=O)NNC(=O)[C@H](C)OCCOC 845602766 LYCHMNLMPACDFK-VIFPVBQESA-N 275.305 -0.124 50 20 CBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1cc(Cl)nc(N)n1 847707621 YMIVPOZKYTYXTQ-UHNVWZDZSA-N 284.707 -0.333 50 20 CBGD CCn1ncnc1C=NNC(=O)NCCCOC 848403815 CHUTZZSEGZEEGV-UHFFFAOYSA-N 254.294 -0.032 50 20 CBGD CN(C)C(=O)CCCC(=O)NNC(=O)c1cc[nH]n1 855358626 QCKIXOSCVWCVCA-UHFFFAOYSA-N 267.289 -0.571 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccnc2ccnn12 858782092 OXJURMILWQIWSB-UHFFFAOYSA-N 292.299 -0.290 50 20 CBGD C[C@@H]1CC(=NNC(=O)[C@@H]2CCC(=O)N2)CCN1C 863148608 GAXWGVDCANRIQS-SCZZXKLOSA-N 252.318 -0.149 50 20 CBGD C[C@H]1CC[C@H](C(=O)NNC(=O)CS(C)(=O)=O)C1 863464594 QYXMDHCBFJAPAS-YUMQZZPRSA-N 262.331 -0.385 50 20 CBGD COC(=O)N(C)NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 875237023 HFAQGQUCNLWOBG-UWVGGRQHSA-N 286.332 -0.238 50 20 CBGD O=C(NNC(=O)[C@H]1CCSC1)c1cccnn1 882057657 FNFCYUJFXALZIU-ZETCQYMHSA-N 252.299 -0.009 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)[C@@H]1CCC[C@H]1O 886480355 RYHJKTROEWBVEC-NXEZZACHSA-N 255.318 -0.611 50 20 CBGD O=C(CN1CCCNC1=O)NNC(=O)c1ccc[nH]1 915260400 IDVUWJZBPMTRJE-UHFFFAOYSA-N 265.273 -0.809 50 20 CBGD C=CCNC(=S)NNC(=O)Cn1ccccc1=O 916559645 XREJDOAPJKAJJZ-UHFFFAOYSA-N 266.326 -0.470 50 20 CBGD CCNC(=O)NNC(=O)c1cccc(C(=O)NC)n1 1116278976 GYNIRMVJDFGWRB-UHFFFAOYSA-N 265.273 -0.595 50 20 CBGD NC(=O)c1ccc(NNC(=O)c2cccc(F)n2)nn1 1116419148 YMPBEONCPZUJPR-UHFFFAOYSA-N 276.231 -0.134 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccc(OCC#N)cc1 1318442318 KRSKKASDEVTHII-UHFFFAOYSA-N 260.253 -0.086 50 20 CBGD CC(=O)NNC(=O)c1ccccc1OCC(N)=O 1321195926 YODAOJBMTLSGOZ-UHFFFAOYSA-N 251.242 -0.668 50 20 CBGD O=C(Cc1cc(O)nc(O)n1)NN=CC[C@H]1CCOC1 1323196425 JNSFJLZZHQNRJL-QMMMGPOBSA-N 280.284 -0.041 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H]1COC(=O)C1 1325725229 IJKISVVVKVSEQX-JGVFFNPUSA-N 286.284 -0.571 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@H]1CCC(=O)N1 1328415648 CRLURRQLPHUUPY-SCSAIBSYSA-N 253.180 -0.635 50 20 CBGD C[C@H](Cc1cnn(C)c1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331803244 NICWJTSSPCJIGX-SCZZXKLOSA-N 293.327 -0.975 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CSc1nncn1C 1335303231 HDOFMGQKPSOMMH-SFYZADRCSA-N 299.356 -0.520 50 20 CBGD Cc1[nH]nc2ncc(C(=O)N3CC[C@H](B(O)O)C3)cc12 1335431428 JKQUMCHOTWFCGK-VIFPVBQESA-N 274.089 -0.045 50 20 CBGD CC(=O)Nc1ccccc1CC(=O)NNC(=O)CO 1339194986 IHURKCXIQJXHQG-UHFFFAOYSA-N 265.269 -0.673 50 20 CBGD Cn1cc(C(=O)NNC(=O)C2=CCOCC2)cn1 1339618409 DXYQYKANLRGMPW-UHFFFAOYSA-N 250.258 -0.472 50 20 CBGD C[C@H](NC(=O)NNc1ccccn1)c1nnnn1C 1340422648 PGKUZURSQAETFM-ZETCQYMHSA-N 262.277 -0.008 50 20 CBGD COCCN(C)NC(=O)c1cc(=O)c(OC)c[nH]1 1347054599 BAXRCGHWQIXUNK-UHFFFAOYSA-N 255.274 -0.394 50 20 CBGD CCC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](B(O)O)C2)C1 1348489755 BNSORAPWXZWCDB-MNOVXSKESA-N 282.149 -0.290 50 20 CBGD Cn1c(C(=O)NNC(=O)NC2CC2)ccc1-c1nn[nH]n1 1592549396 BIRLDMPFMIKPQV-UHFFFAOYSA-N 290.287 -0.688 50 20 CBGD COc1ccc(C(=O)NNC(=O)CC(=O)O)c(OC)c1 1599484700 DTEGMSMAZHAJMQ-UHFFFAOYSA-N 282.252 -0.061 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@H]2CC[C@H]1[C@H](C(=O)O)C2 1609682873 SGOXFFITSRNXIT-AXFHLTTASA-N 297.355 -0.025 50 20 CBGD O=C(NNC(=O)C(=O)O)Nc1ccc(-c2ncon2)cc1 1610699017 ATBYCXCCEZNHBK-UHFFFAOYSA-N 291.223 -0.026 50 20 CBGD COC(=O)N(C)NC(=O)c1cnc(C(=O)O)cn1 1610972318 HNRLEHQQKUERSQ-UHFFFAOYSA-N 254.202 -0.482 50 20 CBGD O=C(NNC(=O)c1cccnc1S)C(=O)NC1CC1 48417452 OPOLMWKLYCLNBO-UHFFFAOYSA-N 280.309 -0.590 50 20 CBGD CN1C(=O)CC[C@@H](NS(=O)(=O)CCCCl)C1=O 90032923 HEMIMYAJLYYFMF-SSDOTTSWSA-N 282.749 -0.318 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccc3[nH]nnc3c2)cn1 117820225 PGKUOBNSCFMPSH-UHFFFAOYSA-N 285.267 -0.234 50 20 CBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)c1cccn1C 121417187 LCMHVARVVDGSLN-MRVPVSSYSA-N 267.285 -0.015 50 20 CBGD COCCCNC(=O)NNC(=O)c1cccc(C(N)=O)c1 139588734 LKWDBCJGCOITKU-UHFFFAOYSA-N 294.311 -0.234 50 20 CBGD CN(NC(=O)CCNC(=O)Cc1ccccc1)C(N)=O 181057920 ISZSHIBVNYCGHP-UHFFFAOYSA-N 278.312 -0.223 50 20 CBGD CN(C)C/C=C/C(=O)NNC(=O)Cc1cccnc1 265607931 BMIROEJCFKNGKF-GQCTYLIASA-N 262.313 -0.111 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cc(OC)n(C)n1 274904752 HJJIAGWCVBTQQC-UHFFFAOYSA-N 255.278 -0.265 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1ccc(OC)nc1 282385272 CRUIEYASRVZMIW-UHFFFAOYSA-N 288.329 -0.055 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccnnc2)O1 293832063 GFFSSFUXFDJMGV-CBAPKCEASA-N 250.258 -0.195 50 20 CBGD O=C(NNc1ncncc1F)[C@]1(O)CCSC1 294178445 WOSVZKRUOBLUPU-VIFPVBQESA-N 258.278 -0.073 50 20 CBGD CC(=O)NNC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 363940155 QROVEXQGVABMTH-MRVPVSSYSA-N 289.295 -0.508 50 20 CBGD CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NNC(=O)CO)C1 496714978 KAGAOALJTRSEDZ-MRVPVSSYSA-N 299.327 -0.617 50 20 CBGD C[C@H](O)[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584972269 RQFMZPFOKSRUAM-DTWKUNHWSA-N 281.092 -0.652 50 20 CBGD C[C@@]1(CO)CCCN1C(=O)c1ccc(B(O)O)cc1 584976397 QXTGVTCZOXETQR-ZDUSSCGKSA-N 263.102 -0.647 50 20 CBGD C[C@@H]1[C@H](CO)CCN1C(=O)c1ccc(B(O)O)cc1 584982281 MVUYLAJJHLCNCJ-KOLCDFICSA-N 263.102 -0.791 50 20 CBGD C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)c1cccc(B(O)O)c1 584985030 GERUICZRRVANMJ-ODXZIHIVSA-N 295.169 -0.652 50 20 CBGD CN1[C@H]2CC[C@H]1CC(NC(=O)c1cccc(B(O)O)c1)C2 584996400 GVXKVXQQERLMHG-KBPBESRZSA-N 288.156 -0.279 50 20 CBGD CC[C@@H](O)[C@@H](CC)NC(=O)c1ccc(B(O)O)cc1 584997206 YHGVUNADKKIZMY-VXGBXAGGSA-N 265.118 -0.354 50 20 CBGD OB(O)c1ccc(CNCc2nnc3n2CCCCC3)o1 585016670 VLEQUPDNDSDWCB-UHFFFAOYSA-N 290.132 -0.433 50 20 CBGD CC[C@@H](C)NC(=O)CCNCc1ccc(B(O)O)cc1F 585021800 ZXIPPBVXYVKWFP-SNVBAGLBSA-N 296.151 -0.100 50 20 CBGD OB(O)c1ccc(CNC[C@@H]2CN3CCC[C@@H]3CO2)cc1 585022074 IGSWSUSWQPHGCV-HUUCEWRRSA-N 290.172 -0.681 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1)[C@H]1CN(C)CCO1 585029435 YNCJXBKJLDQRKN-SMDDNHRTSA-N 278.161 -0.825 50 20 CBGD COC1(CNCc2ccc(B(O)O)cc2F)CCOCC1 585030584 VJMLELXQHGZUPV-UHFFFAOYSA-N 297.135 -0.209 50 20 CBGD C[C@@H](CO[C@@H]1CCOC1)NCc1ccc(B(O)O)o1 585030819 JKLUNQMYSMLCTL-GXSJLCMTSA-N 269.106 -0.757 50 20 CBGD CN(C)C1CCN(CCNCc2ccc(B(O)O)o2)CC1 585033415 DVBLEUUKQUFCKF-UHFFFAOYSA-N 295.192 -0.925 50 20 CBGD OC[C@@H]1CCC[C@@H]1NCc1ccc(B(O)O)cc1F 585044420 IEPCNGFWRSDRKJ-GWCFXTLKSA-N 267.109 -0.244 50 20 CBGD O=C(NCB(O)O)c1cnc(-c2ccccc2)nc1 585062248 SJMQDBXXKSMTBS-UHFFFAOYSA-N 257.058 -0.115 50 20 CBGD CN(C)S(=O)(=O)c1ccccc1N1CC[C@H](B(O)O)C1 585079300 XLSQVUDXCDYMAK-JTQLQIEISA-N 298.173 -0.010 50 20 CBGD NC(=O)N[C@H]1CCN(S(=O)(=O)CCCCl)C1 690805145 LTEYHISCUNOGLM-ZETCQYMHSA-N 269.754 -0.312 50 20 CBGD C=CCNC(=S)NNC(=O)Cc1cnn(C)c1 725907378 IYBPAINEBUXODJ-UHFFFAOYSA-N 253.331 -0.356 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CCN2CCC[C@@H]2C1 731280842 FECAPZDUHOJZTJ-WDEREUQCSA-N 284.360 -0.020 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc2c(nc1O)CCC2 733360923 JFSKBIDTHKHYIS-UHFFFAOYSA-N 278.312 -0.402 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=S)N[C@H](C)COC 733948121 QOQNNMMECKJRBV-BDAKNGLRSA-N 293.389 -0.432 50 20 CBGD O=C(CN1CCC[C@@H](CCO)C1)NNC(=O)C1CC1 741788619 WYMRGKLIWWQYKE-JTQLQIEISA-N 269.345 -0.362 50 20 CBGD CC[C@H](NC(=O)NNC(=O)C(=O)NC1CC1)[C@@H]1CCCO1 756738946 YLBLXJHBBAGMFL-UWVGGRQHSA-N 298.343 -0.447 50 20 CBGD CC(C)C(=O)NNC(=O)NCCc1ccn(C)n1 760686666 KDWCDDHDZYJVPW-UHFFFAOYSA-N 253.306 -0.051 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2ccc3nnnn3c2)n[nH]1 763118634 IPGRIMHMVJMJHP-UHFFFAOYSA-N 286.255 -0.769 50 20 CBGD CCNC(=O)CCC(=O)NNC(=O)c1cc(C)[nH]n1 763141570 ZZHXBVDXHPLANW-UHFFFAOYSA-N 267.289 -0.605 50 20 CBGD C[C@H]1C[C@H](C(=O)NNC(=O)C(C)(C)O)CCC1=O 768240968 HKVJNFQZNSMMRY-JGVFFNPUSA-N 256.302 -0.090 50 20 CBGD Cc1nnc(NNC(=O)[C@H](C(C)C)N(C)C)nc1O 768929052 ULHRGRMTSARGFY-QMMMGPOBSA-N 268.321 -0.085 50 20 CBGD CC(C)[C@](C)(O)C(=O)NNC(=O)Cc1cc[nH]n1 771328635 VSFMYPKBQJPYSA-NSHDSACASA-N 254.290 -0.493 50 20 CBGD O=C(NNC(=O)c1ccnc(F)c1F)C(=O)N1CCCC1 792115568 OBYMSUINUHOCHF-UHFFFAOYSA-N 298.249 -0.257 50 20 CBGD Cc1cccc(C(=O)NNC(=O)C2(O)CCOCC2)n1 794072187 LMCPLALAHPIGHA-UHFFFAOYSA-N 279.296 -0.307 50 20 CBGD COCCN(C)NC(=O)CCCNC(=O)C1CC1 808075321 UQMACRRNSNNOBH-UHFFFAOYSA-N 257.334 -0.098 50 20 CBGD CCN(CCO)NC(=O)Cc1nnc(NC)s1 823874194 NTMLSKVSWAHIML-UHFFFAOYSA-N 259.335 -0.532 50 20 CBGD CC(C)C(=O)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 824185428 ZMSIXBZFXYETDW-UHFFFAOYSA-N 263.261 -0.388 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1ccnn1C(F)F 824621275 LHWDYPVFGIRQOS-UHFFFAOYSA-N 289.242 -0.035 50 20 CBGD CCO/C=C(\C#N)C(=O)N(C)CC(=O)N1CCN(C)CC1 825298617 WKODKIOCFFNAEQ-VAWYXSNFSA-N 294.355 -0.337 50 20 CBGD C[C@H](N)[C@@H]1CCCCN1CC(=O)NNC(=O)C1CC1 843346436 OEOAYZKQIZCNLS-ONGXEEELSA-N 268.361 -0.255 50 20 CBGD Cc1nn(CC(=O)NNC(=O)CC(C)C)c(=O)n1C 847316424 HIRIQETYGVIKFN-UHFFFAOYSA-N 269.305 -0.916 50 20 CBGD O=C(CN1CCCC1=O)NN=Cc1cnc2n1CCC2 853279377 PKYHNNQDPKRUAN-UHFFFAOYSA-N 275.312 -0.098 50 20 CBGD Cc1cc(CC(=O)NNC(=O)N2CCN(C)CC2)on1 854383161 XNZQBVKABLODFX-UHFFFAOYSA-N 281.316 -0.486 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)N[C@@H]1CCNC1 861705442 OVCUXYZNHLXVGY-LLVKDONJSA-N 292.339 -0.070 50 20 CBGD CC(C)CO[C@@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862452420 KRUPJEQERYAERX-DTWKUNHWSA-N 271.317 -0.527 50 20 CBGD COC(=O)[C@@]1(C)CCN(C(=O)c2ccc(B(O)O)cc2)C1 863876250 SECBUXGJMLNCTM-AWEZNQCLSA-N 291.112 -0.608 50 20 CBGD CC[C@]1(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CCNC1=O 869069285 ZTOAOCUJHFDIKT-RVBZMBCESA-N 283.328 -0.525 50 20 CBGD COCC(=O)NNC(=O)Nc1ccnc(N(C)C)c1 880609444 NHIOLCXXROHPGM-UHFFFAOYSA-N 267.289 -0.053 50 20 CBGD COc1ccnc(NNC(=O)[C@H]2CCCC(=O)N2C)n1 906067734 OZRDKBSIELIWEM-MRVPVSSYSA-N 279.300 -0.061 50 20 CBGD CN(C)CCNC(=S)NNC(=O)NCC(F)(F)F 917598004 UOIUWEDAFDJQHI-UHFFFAOYSA-N 287.311 -0.211 50 20 CBGD CCNC(=O)NNC(=O)c1cnc2c(c1)NC(=O)CO2 1319732522 JNHPNNFMQJETKN-UHFFFAOYSA-N 279.256 -0.624 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCO[C@@H](C)C1 1319972034 FBKSLCVYXSHYLD-BQBZGAKWSA-N 259.262 -0.943 50 20 CBGD CC1(C(=O)NNC(=O)Cc2cc[nH]n2)CCOCC1 1320420307 NKQRJRASZQZBCZ-UHFFFAOYSA-N 266.301 -0.084 50 20 CBGD NC(=O)CSCC(=O)NNc1ncncc1F 1324304288 DQXXTSFKJLOKCP-UHFFFAOYSA-N 259.266 -0.723 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@@H]1CCCS1(=O)=O 1327066135 IMBHOBHATXPLIG-JTQLQIEISA-N 297.336 -0.651 50 20 CBGD C=C[C@H](COC)NC(=O)c1cc(B(O)O)ccc1F 1329268695 YNXPXNARRJMEAS-SECBINFHSA-N 267.065 -0.564 50 20 CBGD Nc1cnnc(NNC(=O)N[C@@H]2CCNC2)c1Cl 1331568254 HASIWUWTGRWVQE-RXMQYKEDSA-N 271.712 -0.300 50 20 CBGD CO[C@]1(C(=O)NCCCSC#N)CCS(=O)(=O)C1 1334487453 FWOOMMLGIDZVGL-SNVBAGLBSA-N 292.382 -0.089 50 20 CBGD COc1ccc(CC(=O)NNC(=O)C(=O)NC2CC2)nc1 1340121522 QFJGVGPSVZSWBE-UHFFFAOYSA-N 292.295 -0.941 50 20 CBGD Cn1nc2c(c1NC(=O)C(=O)NNC(=O)C1CC1)CCC2 1342589637 DTRVWBXSCIIXBE-UHFFFAOYSA-N 291.311 -0.595 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)c1cnnc(O)c1 1347917084 OSDPZXTTZMBWJI-UHFFFAOYSA-N 264.163 -0.104 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CCc1c(N)cnn1C 1576038011 TZTCCVMNBKMELV-QMMMGPOBSA-N 255.322 -0.721 50 20 CBGD C[C@H](CNC(=O)NNC(=O)C(=O)O)C(=O)OC(C)(C)C 1592675735 FYKRMKJPMLYMJG-ZCFIWIBFSA-N 289.288 -0.621 50 20 CBGD CO[C@](C)(C(=O)O)C(=O)NNC(=O)CCc1ccco1 1593926435 IKKYKJYWJIJSAL-LBPRGKRZSA-N 284.268 -0.151 50 20 CBGD COC[C@@](C)(O)C(=O)NNc1ncccc1C(=O)O 1593954559 OTPVLLKNKZVNSY-LLVKDONJSA-N 269.257 -0.380 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@H](CCC(=O)OC)C(=O)O 1596864338 SCVZEJPYGZDXRI-UFGYOYAJSA-N 284.268 -0.047 50 20 CBGD COCCCn1nccc1C=NNC(=O)C(=O)O 1599229152 JXNXHSIFQUEHLB-UHFFFAOYSA-N 254.246 -0.546 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCN(CC2CCCC2)C1 1601552799 IPVMSYTZJIELKH-JTQLQIEISA-N 298.343 -0.334 50 20 CBGD O=C(O)c1cc(C(=O)NNC(=O)c2ncccn2)on1 1602247188 PCXVQRGLNBKASI-UHFFFAOYSA-N 277.196 -0.762 50 20 CBGD CC(C)(C)[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)O 1603309148 RVFQFNPBIVMZIN-JTQLQIEISA-N 279.101 -0.405 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc(NC(C)=O)cc1 5856782 PIVAIPINVJVKAZ-UHFFFAOYSA-N 271.298 -0.026 50 20 CBGD CC(C)C(=O)NCCNC(=O)NNc1ncccn1 43312635 ZYVTWCSGNHUYHN-UHFFFAOYSA-N 266.305 -0.125 50 20 CBGD CCN(C)C(=O)CNC(=O)NNc1ncccn1 186207581 JLWUYHXUAPDMJB-UHFFFAOYSA-N 252.278 -0.419 50 20 CBGD Cc1ccc(C(=O)NNC(=O)N[C@@H]2CC(=O)N(C)C2)o1 268020244 LCOPQLOOGBFQPK-MRVPVSSYSA-N 280.284 -0.237 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)CCN2C(=O)CCC2=O)O1 294257043 OIISLNNILPGNIW-IUCAKERBSA-N 297.311 -0.760 50 20 CBGD CCOC(=O)NNC(=O)c1ccc(C(N)=O)nc1 495835375 WLXWLFIGTPHSHO-UHFFFAOYSA-N 252.230 -0.429 50 20 CBGD COC[C@H](C)CNC(=O)c1cc(B(O)O)ccc1F 584935493 MIOWSRRMQQLPRZ-MRVPVSSYSA-N 269.081 -0.482 50 20 CBGD CC[C@@H](NC(=O)c1ccc(B(O)O)cc1)[C@@H]1CCOC1 584950011 CLPUSXRXYQJSHZ-DGCLKSJQSA-N 277.129 -0.089 50 20 CBGD C[C@]1(CO)CCC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584962355 MFZUBAZCCWYDIN-TZMCWYRMSA-N 295.119 -0.214 50 20 CBGD C[C@H](CO)CN(C)C(=O)c1cccc(B(O)O)c1 584967271 HXUMEPKIRNIIFQ-VIFPVBQESA-N 251.091 -0.933 50 20 CBGD CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1cccc(B(O)O)c1 584968109 HRQZZXNUQKJDNJ-RYUDHWBXSA-N 290.128 -0.989 50 20 CBGD CCN1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H](C)C1=O 584974533 PLZVFTRBSDURSX-JTQLQIEISA-N 290.128 -0.941 50 20 CBGD CN1CCC[C@H](NCc2ccc(B(O)O)cc2F)C1=O 585027167 XXPTWYVHGSGRAJ-LBPRGKRZSA-N 280.108 -0.784 50 20 CBGD COc1nn(C)cc1NCc1ccccc1B(O)O 585037816 KUHUTGXUOWVTIF-UHFFFAOYSA-N 261.090 -0.279 50 20 CBGD O=S(=O)(NCB(O)O)c1cnc(C2CC2)s1 585057779 ZUCORFPNERWJMJ-UHFFFAOYSA-N 262.121 -0.689 50 20 CBGD O=S(=O)(NCB(O)O)c1cnccc1C(F)(F)F 585059256 GUAJGXJEDPTINW-UHFFFAOYSA-N 284.024 -0.609 50 20 CBGD O=C(COc1ccccc1Br)NCB(O)O 585062270 DYJGPGQVEJJLQW-UHFFFAOYSA-N 287.906 -0.044 50 20 CBGD CCNC(=O)CNC(=O)NNC(=O)c1cccc(C#N)c1 728954811 NWVZHZCQFXGFDH-UHFFFAOYSA-N 289.295 -0.362 50 20 CBGD CN(C)CC(=O)NNC(=O)CCOC[C@@H]1CCCO1 733359246 JJDFWOIJNJKSNX-JTQLQIEISA-N 273.333 -0.719 50 20 CBGD Cc1cc(NNC(=O)CN2CCCNC2=O)nc(C)n1 736716734 JXQDSUFSCBDEAO-UHFFFAOYSA-N 278.316 -0.048 50 20 CBGD NC(=O)C(=O)NN=Cc1cc(C(=O)O)ccc1O 739148475 JJPTWQLUPCOLKS-UHFFFAOYSA-N 251.198 -0.974 50 20 CBGD C[C@H](C(=O)NNC(=O)C(=O)NC1CC1)c1ccco1 741662127 KIHGYCVDNJJBIB-ZETCQYMHSA-N 265.269 -0.191 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cnnn1C 751135343 WGKVEMWKXQJMEV-JTQLQIEISA-N 280.332 -0.767 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@]1(C)CCOC1 755292977 GGQBAKWONLPGPG-NSHDSACASA-N 252.274 -0.094 50 20 CBGD CN(N=C(CNS(C)(=O)=O)c1ccccc1)C(N)=O 767910117 ZRKHGIXLGFOXRS-UHFFFAOYSA-N 284.341 -0.050 50 20 CBGD CNC(=O)NNS(=O)(=O)c1csc([N+](=O)[O-])c1 768882954 RHZRHBJWWPESPJ-UHFFFAOYSA-N 280.287 -0.221 50 20 CBGD CCN(C)C(=O)CNC(=O)NNC(=O)CC(F)(F)F 776258103 LUMKBMZOIABSCZ-UHFFFAOYSA-N 284.238 -0.253 50 20 CBGD CC(=O)NNC(=O)CNC(=O)c1cccc(O)c1 778283319 MQEVUZCQLSWLCJ-UHFFFAOYSA-N 251.242 -0.711 50 20 CBGD N#C[C@@]1(F)CCN(CC(=O)NNC(=O)C2CC2)C1 786435808 ILSOVHPPQVREPX-NSHDSACASA-N 254.265 -0.519 50 20 CBGD Cc1c(S(=O)(=O)NNC(=O)C(C)C)cnn1C 793350224 IQFDLQNMAITVFE-UHFFFAOYSA-N 260.319 -0.306 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H]1CCC[C@@H]1C(=O)NC 794577433 QYXGDGZILKTJBT-LPEHRKFASA-N 284.360 -0.563 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H](C)NC(=O)CC 798304442 RJICIGQRYZODMT-ZETCQYMHSA-N 258.347 -0.418 50 20 CBGD O=C(CO)NNC(=O)c1[nH]nnc1-c1ccccc1 801642743 ZHLPNUCBQSIAFS-UHFFFAOYSA-N 261.241 -0.775 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cnn(CC(F)F)c1 814226778 JINXRDXQJXTEOH-UHFFFAOYSA-N 289.242 -0.046 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)NCCC(=O)O)nc21 819084338 LQHFOOIQGLHBSP-UHFFFAOYSA-N 295.259 -0.830 50 20 CBGD O=C(NN=C1CCN(CCO)CC1)N1CCOCC1 819807308 OABLLRWPPNADIL-UHFFFAOYSA-N 270.333 -0.528 50 20 CBGD O=C(NCc1ccco1)NNC(=O)[C@H](O)C1CC1 823793345 MRPORWWYLAFUKE-SECBINFHSA-N 253.258 -0.119 50 20 CBGD CCN(CCO)NC(=O)CS(=O)(=O)N(CC)CC 823860648 WYMAYKKHWOAKFC-UHFFFAOYSA-N 281.378 -0.997 50 20 CBGD COC[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 825547414 LYGJRXAXNKQBSQ-XHNCKOQMSA-N 259.306 -0.223 50 20 CBGD CC(=NNC(=O)NC(C)C)c1cn(CC(=O)O)nn1 825798245 DYTRDUFEBKXDEW-UHFFFAOYSA-N 268.277 -0.206 50 20 CBGD COC[C@H](CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)OC 826873354 LFCWWXZYMSGEFO-KXUCPTDWSA-N 289.332 -0.597 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1C[C@H]2C[C@H]1C(=O)O2 827266517 CCFFFSVECOGMCA-KDXUFGMBSA-N 283.284 -0.848 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccnn1C 831661796 NQKVNNGAZNCWFN-SFYZADRCSA-N 267.289 -0.002 50 20 CBGD C#CCOCCNC(=O)NNC(=O)[C@@H]1CCCCO1 836397360 XOJLZCPLUGKJGS-JTQLQIEISA-N 269.301 -0.464 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)N1CCC[C@@H]1C 842589634 KQFQESDGIBIYPS-LPEHRKFASA-N 291.373 -0.239 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CSCC#N 843646065 OTRVTINMNVUKED-HTQZYQBOSA-N 257.315 -0.184 50 20 CBGD CCn1nc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ccc1=O 843650238 AEAYJSKRVFWIBE-DTWKUNHWSA-N 294.311 -0.551 50 20 CBGD Cc1c[nH]cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1=O 843978965 LFTDDLXSQSHEAH-BDAKNGLRSA-N 279.296 -0.131 50 20 CBGD C=CC(=O)NCCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843979464 OHEXFUCIWHOSBC-BDAKNGLRSA-N 269.301 -0.749 50 20 CBGD O=S(=O)(CCl)NC[C@@H](O)C1CCOCC1 849379116 PQJPRBPQBOAGKU-MRVPVSSYSA-N 257.739 -0.110 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@@H]2CCO[C@@H]2CN)n1 852801410 ZUCWDBQXLZLWBD-NXEZZACHSA-N 265.317 -0.100 50 20 CBGD COc1cnc(C(=O)NNC(=O)N2CCN(C)CC2)nc1 854382776 LLMRUTCBELESKQ-UHFFFAOYSA-N 294.315 -0.913 50 20 CBGD C=C[C@@](C)(O)C(=O)NNC(=O)C(C)(OCC)OCC 854388760 XEJUOGMMJLXEMO-LLVKDONJSA-N 274.317 -0.140 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCC[C@H]1C(=O)N(C)C 859659854 DUQIEUKNRFTOIY-JTQLQIEISA-N 284.360 -0.658 50 20 CBGD CC(C)CNC(=S)NNC(=O)[C@H]1CCC(=O)N1 863204493 ZXXLEISGNFBCPZ-SSDOTTSWSA-N 258.347 -0.584 50 20 CBGD COC(=O)[C@H](NNC(=O)[C@H]1CCC(=O)N1)c1ccsc1 863379277 SNXHLQLOCPTJCS-PSASIEDQSA-N 297.336 -0.138 50 20 CBGD CCOC(=O)[C@H](C)[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 863879674 XUUPVUHTZXOHTC-NXEZZACHSA-N 293.128 -0.316 50 20 CBGD CC1(CCNCc2ccc(B(O)O)cc2)OCCO1 863891010 IBXOIYVELRYBOY-UHFFFAOYSA-N 265.118 -0.391 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ncc2n1CCCC2 867672812 VVWOXPIQJRJZKV-UHFFFAOYSA-N 266.301 -0.249 50 20 CBGD COCCOCC(=O)NNC(=O)CCn1ccccc1=O 869910035 BTHVXQDNBCGOOH-UHFFFAOYSA-N 297.311 -0.951 50 20 CBGD CO[C@H]1C[C@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)C1 875906903 XGTFSKOHCLIRCI-QXEWZRGKSA-N 291.373 -0.455 50 20 CBGD O=C(CNCc1ccc(B(O)O)cc1)NC1CCCC1 877010195 PDQRJPFPOHRMQR-UHFFFAOYSA-N 276.145 -0.485 50 20 CBGD C[C@@H]1COCC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 884421492 VWQUYPNBZHWRNA-HTQZYQBOSA-N 275.330 -0.505 50 20 CBGD CN1C(=O)CCC[C@@H]1C(=O)NNC(=O)NCC1CC1 906417911 OUHAAAWBKBAKLM-SECBINFHSA-N 268.317 -0.262 50 20 CBGD CN1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)[C@H](CO)C1 912737611 QKSIEUFSOHFLPP-YFTXEMMHSA-N 289.339 -0.538 50 20 CBGD O=C(Cc1ccc(F)cn1)NNC(=O)CN1CCCC1=O 913729164 IQQAZNYQOFYQSO-UHFFFAOYSA-N 294.286 -0.467 50 20 CBGD CCC(C)(C)N[C@H](C)C(=O)NNC(=O)CN1CCCC1=O 913732399 VBCYKKJLIYARBW-SNVBAGLBSA-N 298.387 -0.077 50 20 CBGD Cc1nc(C)c(CCC(=O)NN(C)C(N)=O)c(O)n1 1116530100 CYLINKDLPYGHHE-UHFFFAOYSA-N 267.289 -0.227 50 20 CBGD CC(C)(C(N)=O)C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1116785561 ZWMKFSOTOXVHDF-UHFFFAOYSA-N 293.327 -0.439 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(=O)NCC1CC1 1118187469 PECDCCSTVNJIKC-SCZZXKLOSA-N 298.343 -0.732 50 20 CBGD COCCOC[C@@H](C)NC(=O)NNC(=O)c1cn[nH]c1 1118860601 PTNSHJCJCOWZJS-MRVPVSSYSA-N 285.304 -0.595 50 20 CBGD CO[C@@H](C=NNC(=O)[C@@H]1CCC(=O)N1)C1CCOCC1 1261833083 LMURFNRUKBZARU-QWRGUYRKSA-N 283.328 -0.191 50 20 CBGD CC(C)NC(=S)NNC(=O)CN1CSCC1=O 1317773419 HLNGEUGQLWFQBH-UHFFFAOYSA-N 276.387 -0.577 50 20 CBGD CC(C)n1nccc1C(=O)NNC(=O)C(=O)NC1CC1 1319229521 IIELGZYGMJOZEA-UHFFFAOYSA-N 279.300 -0.496 50 20 CBGD CN(NC(=O)c1ccc(S(C)(=O)=O)cc1)C(N)=O 1324779001 LJZFMVRQXKDRCC-UHFFFAOYSA-N 271.298 -0.255 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1C[C@H]1c1cncn1C 1328748123 WAEGXHTXGVGBHY-HTQZYQBOSA-N 251.290 -0.174 50 20 CBGD Cc1ncccc1C(=O)NNC(=O)CS(C)(=O)=O 1330168944 RJRPIDLTQRAZFL-UHFFFAOYSA-N 271.298 -0.804 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCNC2=O)cc1 1330704032 LQIIMQXHMRMQDG-SNVBAGLBSA-N 277.280 -0.408 50 20 CBGD CC(C)[C@@H]1C[C@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 1334793898 BBFGFVZKQDWPSA-VWYCJHECSA-N 297.355 -0.136 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1sc(C)nc1C 1336904084 XWFQLJWZSSWKFG-UHFFFAOYSA-N 256.287 -0.134 50 20 CBGD CC(C)(C)C(=O)NNC(=O)Cn1cnc(C#N)n1 1340627208 XDRWJHIWEXWDEW-UHFFFAOYSA-N 250.262 -0.657 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cccn1C)[C@H]1CCC(=O)N1 1351340074 AKTBUXANSPNXSI-RKDXNWHRSA-N 278.312 -0.299 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CC[C@H]1C(=O)O 1574456395 GMULPTYHYVUJNY-HTQZYQBOSA-N 265.269 -0.103 50 20 CBGD C[C@H](OCc1cnn[nH]1)C(=O)NNC(=O)C1CC1 1575879498 QDUKPHVUFVJPEH-LURJTMIESA-N 253.262 -0.733 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNc1ccnc(N(C)C)n1 1593911942 VARGOVFWAVFLCG-SSDOTTSWSA-N 269.261 -0.915 50 20 CBGD Cn1nncc1NNC(=O)c1c[nH]c(C(=O)O)c1 1608169034 DMOBMUYEFISGEC-UHFFFAOYSA-N 250.218 -0.402 50 20 CBGD O=C(O)CC1(CS(=O)(=O)N2CC[C@@H](B(O)O)C2)CC1 1608681053 FAKNBEJBFCVMDL-MRVPVSSYSA-N 291.134 -0.880 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cc(OC)ccc1OC 48961977 CUKUAAHPQYUFFG-UHFFFAOYSA-N 289.313 -0.174 50 20 CBGD Cn1nc(C(=O)NNC(=O)c2ccccc2F)ccc1=O 49949730 CHRGAIWHSJAOEX-UHFFFAOYSA-N 290.254 -0.006 50 20 CBGD CN(NC(=O)CNC(=O)OCc1ccccc1)C(N)=O 169506191 QTRUDNUKDJWIBX-UHFFFAOYSA-N 280.284 -0.046 50 20 CBGD CN(CCC#N)c1ccc(C=NNC(=O)C(N)=O)cc1 254737444 HCQLMCZMEGVOHQ-UHFFFAOYSA-N 273.296 -0.028 50 20 CBGD C=CCNC(=S)NNC(=O)CN1CCCC1=O 263676632 KDQVNRQZWPMSAJ-UHFFFAOYSA-N 256.331 -0.710 50 20 CBGD CCS(=O)(=O)CC(=O)NNc1nc(C)cc(OC)n1 266928703 NEVIIZHNWHZKSX-UHFFFAOYSA-N 288.329 -0.329 50 20 CBGD CCO[C@@H](C)C(=O)NNC(=O)CNC(=O)c1cccnc1 268897597 XYPYFWFZCBRMHE-VIFPVBQESA-N 294.311 -0.616 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@H](CO)NC(=O)C(C)C)n1 291477599 MJWKZVAHPQNVRJ-JTQLQIEISA-N 295.343 -0.330 50 20 CBGD COCCN(C)NC(=O)[C@](C)(O)Cn1ccc(C)cc1=O 297212735 WZYQSROKQLGFHK-CQSZACIVSA-N 297.355 -0.483 50 20 CBGD CCOC(=O)NCCC(=O)NNC(=O)N1CCOCC1 299390782 RDSGCDWFXSIWMT-UHFFFAOYSA-N 288.304 -0.804 50 20 CBGD C[C@@H]1C[C@@H](O)CN1CC(=O)NNC(=O)c1ccccc1 384933232 IBGVUFKQUZYYPZ-ZYHUDNBSSA-N 277.324 -0.097 50 20 CBGD C[C@H]1C[C@H]1C(=O)NCCC(=O)Nc1cccc(B(O)O)c1 405002899 OOKRVPIOMVSQCV-JOYOIKCWSA-N 290.128 -0.533 50 20 CBGD CC(C)CN1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584925622 KDLMOUACBFICHY-UHFFFAOYSA-N 290.172 -0.220 50 20 CBGD CC[C@@H]1COCCN1C(=O)c1ccc(B(O)O)cc1 584951972 QFPFXDPAJUHRID-GFCCVEGCSA-N 263.102 -0.383 50 20 CBGD C[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584960619 LKPKLYBVSPFQMJ-MRVPVSSYSA-N 251.066 -0.013 50 20 CBGD O=C(N[C@H](CCO)C1CC1)c1cc(B(O)O)ccc1F 584962216 BUGSTSNECSSNOW-GFCCVEGCSA-N 281.092 -0.604 50 20 CBGD O=C(c1cccc(B(O)O)c1)N(CC1(O)CCC1)C1CC1 584998238 CRZNJOFYJORQBR-UHFFFAOYSA-N 289.140 -0.114 50 20 CBGD COCCN(C)CCCNCc1ccc(B(O)O)cc1F 585017640 GCCVRQGQAPAWKT-UHFFFAOYSA-N 298.167 -0.437 50 20 CBGD C[C@H]1OCC[C@H]1NCc1ccc(B(O)O)cc1F 585032607 XBCPOFIPIBZFAQ-PRHODGIISA-N 253.082 -0.228 50 20 CBGD CCCN1CCC[C@H]1C(=O)NNC(=O)N1CCOCC1 749598534 CXIKRCPJARKBML-NSHDSACASA-N 284.360 -0.066 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@](C)(O)C1CC1 755425519 KQOPBXGDWCODCJ-LBPRGKRZSA-N 271.317 -0.791 50 20 CBGD CCOc1ncccc1NC(=O)C(=O)NNC(=O)CC 763442308 SKXVCXPTGJGIEI-UHFFFAOYSA-N 280.284 -0.024 50 20 CBGD O=C(CO)NNC(=O)C(=O)N1CCCc2ccc(F)cc21 764422381 XXRDTWSBJGGXTQ-UHFFFAOYSA-N 295.270 -0.755 50 20 CBGD CNC(=O)NNC(=O)CNC(=O)c1cccc(O)c1 769687737 CKNQANIHDONYKL-UHFFFAOYSA-N 266.257 -0.918 50 20 CBGD CSCCNC(=S)NNC(=O)C(C)(C)NC(C)=O 770238757 CMMMMVKPKLYUGJ-UHFFFAOYSA-N 292.430 -0.241 50 20 CBGD CC[C@@H](C(=O)NN(C)C(N)=O)N1CCO[C@H](CC)C1 774092831 PYFWCAPFNUQOCP-ZJUUUORDSA-N 272.349 -0.083 50 20 CBGD C=CCNC(=S)NNC(=O)Cn1cc([N+](=O)[O-])cn1 798305488 RTYYFWLRIVLDAQ-UHFFFAOYSA-N 284.301 -0.527 50 20 CBGD CC(C)(C)C(=O)NNC(=O)N1CC[C@H](S(C)(=O)=O)C1 799924965 KDHOOCWQQOPGMR-QMMMGPOBSA-N 291.373 -0.108 50 20 CBGD CCO/C=C(\C#N)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)O 820377838 LHFNTVSKWSNLOI-FJUNDMEASA-N 297.311 -0.132 50 20 CBGD C#C[C@H](CCC)NC(=O)NNC(=O)C(=O)N1CCCC1 820635437 KWNIBZGWHWLJBZ-SNVBAGLBSA-N 280.328 -0.259 50 20 CBGD CC(=NNC(=O)c1ccc[nH]1)c1cn(CC(=O)O)nn1 825804351 FIIQKOSEXBMNBH-UHFFFAOYSA-N 276.256 -0.155 50 20 CBGD CC(C)c1nccnc1NNC(=O)[C@H]1CCS(=O)(=O)N1 846019459 SRQRCFBHMMJYNW-MRVPVSSYSA-N 299.356 -0.265 50 20 CBGD C=CCCNC(=O)NNC(=O)CNC(=O)c1ccco1 852037530 SVLWLBGLHLQAKW-UHFFFAOYSA-N 280.284 -0.084 50 20 CBGD CC(C)C(=O)NNC(=O)CN(C)CC(=O)N1CCCC1 852669664 QUBGFKCEWAPDQC-UHFFFAOYSA-N 284.360 -0.656 50 20 CBGD O=C(NCCOCCF)NNC(=O)[C@@H]1CCCCO1 852714595 HLAFLWIFCTVGGR-VIFPVBQESA-N 277.296 -0.128 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CC=CCC2)N1 858697157 QXNPZNFEOOKWJP-QMMMGPOBSA-N 252.274 -0.732 50 20 CBGD CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1ccc(B(O)O)cc1 863875749 FEMVZKNOCAVSKE-SNVBAGLBSA-N 293.128 -0.222 50 20 CBGD CN1CCC(ONC(=O)c2cccc(B(O)O)c2)CC1 863881284 OYDAEAWIUYUPEQ-UHFFFAOYSA-N 278.117 -0.878 50 20 CBGD CN(C(=O)c1ccc(B(O)O)cc1)[C@@H]1CC(C)(C)OC1=O 863882112 IKSVEROPNZJVTB-LLVKDONJSA-N 291.112 -0.468 50 20 CBGD O=C(/C=C/CN1CCOCC1)NNC(=O)c1ccc[nH]1 864588553 GTTFARULGSLABU-DUXPYHPUSA-N 278.312 -0.336 50 20 CBGD O=C(/C=C\CN1CCOCC1)NNC(=O)NC1CC1 865015082 UHOQRGNZBKBBIL-UPHRSURJSA-N 268.317 -0.632 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1c2c(nn1C)CCC2 910182180 HABCCOCKMHDCJP-MRVPVSSYSA-N 252.318 -0.134 50 20 CBGD CCCNC(=O)NNC(=O)[C@H]1CCCN1S(C)(=O)=O 921039602 UUANRAIFUARYPV-MRVPVSSYSA-N 292.361 -0.849 50 20 CBGD Cn1nnc2c1CC[C@H](NC(=O)NNC(=O)C1CCC1)C2 1118393560 FVNXRDVGSFLBCI-VIFPVBQESA-N 292.343 -0.197 50 20 CBGD Cn1nnc(CNC(=O)[C@@]2(C)C[C@H]2Br)n1 1119633488 NSXYBWYXIUBRSB-XRGYYRRGSA-N 274.122 0.000 50 20 CBGD C[C@@H]1COCCCN1C(=O)NNC(=O)c1cn[nH]c1 1261792212 QBZKWFVYJHMMBN-MRVPVSSYSA-N 267.289 -0.125 50 20 CBGD Cn1cc(C(=O)NNC(=O)CSc2nncs2)cn1 1318668530 XOQONFBEFVGTOG-UHFFFAOYSA-N 298.353 -0.175 50 20 CBGD CCc1cnccc1CNC(=O)NNC(=O)C(=O)OC 1319910556 BDZBBHFMBXYIQR-UHFFFAOYSA-N 280.284 -0.353 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H](C)c1nncn1C 1320465257 AFZBNWFAQUDWTA-SFYZADRCSA-N 268.321 -0.588 50 20 CBGD O=C(CN1CC[C@H](O)C12CCCC2)NNC(=O)C1CC1 1324190310 ZFVRBNIUBZHSEB-NSHDSACASA-N 281.356 -0.077 50 20 CBGD CN(C)C(=O)CNC(=O)NNC(=O)Cc1cccnc1 1326430462 MEXIOEWPVBDQCK-UHFFFAOYSA-N 279.300 -0.957 50 20 CBGD COCC1(C(=O)NNC(=O)c2cccnn2)CC1 1331500788 DYGRJWKNWAZYEO-UHFFFAOYSA-N 250.258 -0.336 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)c1cccnn1)N(C)C 1333607813 NCTXUGJGUGGZIW-QMMMGPOBSA-N 266.305 -0.629 50 20 CBGD O=C(CO[C@@H]1CCOC1)NNC(=O)CC(F)(F)F 1339908087 DSSPJTAEZCDPNQ-ZCFIWIBFSA-N 270.207 -0.108 50 20 CBGD O=C(Cc1nc2ncccn2n1)NNc1ncc(F)cn1 1341309422 QDCXXDQMNTWVKO-UHFFFAOYSA-N 288.246 -0.261 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)NOC/C=C/Cl 1347435242 QNKLKJUPABPLGB-DAFODLJHSA-N 276.680 -0.721 50 20 CBGD Cn1nnc2c1C[C@H](C(=O)NNC(=O)c1cn[nH]c1)CC2 1348389036 RWZOWEXGXZFWFV-SSDOTTSWSA-N 289.299 -0.896 50 20 CBGD CC(=O)Nc1nc(C(=O)N2CC[C@@H](B(O)O)C2)cs1 1348490041 KXZYEQAOLITSFS-SSDOTTSWSA-N 283.118 -0.210 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1NCc2n[nH]cc21 1576903061 FISRUXSDSKPERW-MHYGZLNHSA-N 279.300 -0.874 50 20 CBGD CC[C@H](O)[C@@H](C)C(=O)NNC(=O)[C@H]1CCCNC1 1577181794 HILBELXCKQKVOJ-UTLUCORTSA-N 257.334 -0.460 50 20 CBGD N#CC1(CC(=O)NNC(=O)[C@@H]2CCN2)CCOCC1 1580038486 NUELFPGXOVPXCA-VIFPVBQESA-N 266.301 -0.794 50 20 CBGD CC(C)n1cc(C=NNC(=O)NCC(=O)O)nn1 1592126843 KDFRGCLBDNQQPY-UHFFFAOYSA-N 254.250 -0.423 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H](C(=O)O)C2CC2)n1 1594298159 DVNLJJYWCMZQAM-LLVKDONJSA-N 294.311 -0.242 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(C(=O)O)CC=CC1 1603480035 NDJXDIQCWPLZED-DTWKUNHWSA-N 282.296 -0.020 50 20 CBGD O=C(O)c1cc(C(=O)NNC(=O)c2ccc[nH]2)[nH]n1 1605815558 NYDDFAFMWITLCL-UHFFFAOYSA-N 263.213 -0.489 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)C(=O)O)CN1C1CC1 1609843095 AHWCRKBZFXJVMR-RNFRBKRXSA-N 270.289 -0.973 50 20 CBGD CCC(=O)NNS(=O)(=O)c1cncc(C(=O)O)c1 1609881702 ORSSRWZNXOTHNX-UHFFFAOYSA-N 273.270 -0.501 50 20 CBGD O=S1(=O)CCN(S(=O)(=O)CCCCl)CC1 36881287 NWOQHMLNAAXBQH-UHFFFAOYSA-N 275.779 -0.325 50 20 CBGD N[C@@H]1CCN(CC(=O)NNC(=O)c2cccs2)C1 50243697 MRDUXZPAAPYYFB-MRVPVSSYSA-N 268.342 -0.458 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(CC(N)=O)CC1 111202268 CRQCCOXNWOJKMB-SECBINFHSA-N 284.360 -0.480 50 20 CBGD C[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)[C@@H]1CO 132782944 KFJQTBCDZMKJOA-MWLCHTKSSA-N 269.345 -0.363 50 20 CBGD CCc1nn(C)cc1C(=O)NNC(=O)CN(C)C 181365830 VCCRTKMBVVWLDZ-UHFFFAOYSA-N 253.306 -0.695 50 20 CBGD Cc1ccc(N2CCC(C(=O)NNC(=O)CO)CC2)nc1 182758432 RLZWVCHWHYGMMT-UHFFFAOYSA-N 292.339 -0.254 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)c1cccn1C 270467745 FPGQXJCYKJBDSX-ZETCQYMHSA-N 268.273 -0.469 50 20 CBGD CCO[C@H]1C[C@@H]1C(=O)NNC(=O)CNC(=O)c1ccco1 299707579 YBLMYNVXSRMKAI-WPRPVWTQSA-N 295.295 -0.418 50 20 CBGD C#CCn1ccnc1C=NNC(=O)N1CCOCC1 491771001 QSJRWCXMLUVLMJ-UHFFFAOYSA-N 261.285 -0.108 50 20 CBGD CN(C)C1(CNC(=O)c2ccc(B(O)O)cc2)CCCC1 584930974 VQOYDWJEBJXXNE-UHFFFAOYSA-N 290.172 -0.029 50 20 CBGD COCCN(CCN(C)C)C(=O)c1ccc(B(O)O)cc1 584940919 BJKFLIAYOFTZPX-UHFFFAOYSA-N 294.160 -0.983 50 20 CBGD CC(C)[C@@H](O)CNC(=O)c1ccc(B(O)O)c(F)c1 584959777 LEGKIZLELMZMQG-NSHDSACASA-N 269.081 -0.748 50 20 CBGD CO[C@@H](C)[C@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584979631 ZXEMURSECYCAKG-YUMQZZPRSA-N 269.081 -0.341 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N(CC1CC(O)C1)C1CC1 584997950 MCIXHTAOPRODEJ-UHFFFAOYSA-N 289.140 -0.258 50 20 CBGD CO[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C[C@@H]1C 584998297 PBQTVGZVNGDBPW-GXFFZTMASA-N 277.129 -0.137 50 20 CBGD CCC(=O)N1CC[C@H](NCc2ccccc2B(O)O)C1 585031378 UFDGZAKOWVLJGM-LBPRGKRZSA-N 276.145 -0.533 50 20 CBGD C[C@H]1C[C@H](NCc2ccc(B(O)O)o2)c2ncnn21 585046778 YFOGCFDWCORYSF-CBAPKCEASA-N 262.078 -0.654 50 20 CBGD CC(C)C[C@@H](C(=O)NCB(O)O)N1CCCCC1=O 585057042 JAJQIFDFOASKBP-JTQLQIEISA-N 270.138 -0.458 50 20 CBGD NC(=O)c1cnc(N2CC[C@@H](B(O)O)C2)c(Cl)c1 585072694 DTCRRCICHSEHHX-SSDOTTSWSA-N 269.497 -0.113 50 20 CBGD C[C@@H](Sc1nnnn1C1CC1)C(=O)NNC(=O)N(C)C 746014714 OMKBGWPNUXDJCG-ZCFIWIBFSA-N 299.360 -0.209 50 20 CBGD CCC[C@@H](O)CC(=O)NNC(=O)C(=O)NC(C)C 750091451 KQUJKQGVCMYXTG-MRVPVSSYSA-N 259.306 -0.791 50 20 CBGD CCNC(=O)c1ccc(C)c(NC(=O)NNC(=O)CO)c1 755830693 PDCKQIZBLHWVNI-UHFFFAOYSA-N 294.311 -0.110 50 20 CBGD O=C1C[C@@H](C(=O)NNC(=O)c2ccccn2)CCN1 760211084 MHEQDEAKWHQNGU-QMMMGPOBSA-N 262.269 -0.631 50 20 CBGD CNC(=O)NNC(=O)c1c(C)nc2ccnn2c1C 761146664 SDELQHSRNPLPSJ-UHFFFAOYSA-N 262.273 -0.080 50 20 CBGD CCOc1cc(C)ccc1NC(=O)C(=O)NNC(=O)CO 764428613 IGXCAGWAQGGZMH-UHFFFAOYSA-N 295.295 -0.528 50 20 CBGD CC(=O)NNC(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 765226467 FDFBVTJRVKSXGS-UHFFFAOYSA-N 290.283 -0.256 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cc(CC(C)C)nn1C 765373000 UDWMROIYVDQSIT-UHFFFAOYSA-N 297.315 -0.056 50 20 CBGD Cc1cc(C(=O)NNC(=O)Cn2ccc([N+](=O)[O-])n2)n[nH]1 768279547 YWRVMJDHAVCFLA-UHFFFAOYSA-N 293.243 -0.716 50 20 CBGD O=C(NNC(=O)C1(O)CCOCC1)NC1CCCC1 772506887 BDBHBPSKWGSJON-UHFFFAOYSA-N 271.317 -0.199 50 20 CBGD Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)CO 777781698 IEVWYZAOIONPHL-UHFFFAOYSA-N 254.290 -0.529 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccc(OC)nn1 780711083 GZIVQICUYPLDKW-UHFFFAOYSA-N 253.262 -0.209 50 20 CBGD COCC[C@@H](NS(=O)(=O)CCCCCl)C(N)=O 780832849 OSUCDGGTGRCYSF-MRVPVSSYSA-N 286.781 -0.185 50 20 CBGD CCN(CCO)NC(=O)CNC(=O)c1ccccc1 823829299 QPZDJILXSUVHHB-UHFFFAOYSA-N 265.313 -0.238 50 20 CBGD C[C@H](CO)N(C)NC(=O)CC(=O)NCC(F)(F)F 823939569 MBCUDAXGKAPUSN-ZCFIWIBFSA-N 271.239 -0.601 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@@H]1COCCO1 825737980 RYVNELMJFKPYMK-IVZWLZJFSA-N 287.316 -0.843 50 20 CBGD O=C(O)c1ccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)[nH]1 833312290 NMHXZURATXLHND-SSDOTTSWSA-N 299.308 -0.402 50 20 CBGD CC(C)OCCS(=O)(=O)NNC(=O)[C@@H]1CCO[C@H]1C 842591376 BYZYYDWJCCORJD-VHSXEESVSA-N 294.373 -0.213 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](C)CC(N)=O 843973677 ZDBBRTSJITVERG-GJMOJQLCSA-N 257.290 -0.930 50 20 CBGD O=S(=O)(CBr)NC[C@H]1CNCCO1 850588453 HDISNKQETGIMEH-ZCFIWIBFSA-N 273.152 -0.753 50 20 CBGD O=C(CN1CCOCC1)NNC(=S)NCC1CCC1 855090707 MVMZJXGMMPWMAV-UHFFFAOYSA-N 286.401 -0.386 50 20 CBGD O=C(CN1CCCNC1=O)NNc1ncc(Cl)cn1 857355758 MBZIEZCBMYMZIP-UHFFFAOYSA-N 284.707 -0.012 50 20 CBGD CC[C@@H](C)CONC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858482464 YUOJLPNOMRGNOG-SFYZADRCSA-N 272.305 -0.427 50 20 CBGD O=C(NC[C@H]1COCCN1)NNc1cncc(Cl)n1 861682415 XMJGLDMEYOXKIO-ZETCQYMHSA-N 286.723 -0.256 50 20 CBGD C[C@H](NNC(=O)CCS(=O)(=O)N(C)C)C(F)(F)F 862315903 HACCDIWKMUYMGN-LURJTMIESA-N 291.295 -0.161 50 20 CBGD Cc1nc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)sc1C 862458215 AJPCCQXSLMBKPZ-ZETCQYMHSA-N 282.325 -0.200 50 20 CBGD Cc1cc(=NNC(=O)[C@@H](O)c2cnn(C)c2)cc[nH]1 862514173 SKZUEOZEYDHZFF-NSHDSACASA-N 261.285 -0.278 50 20 CBGD O=C(NNC(=O)C1CCCC1)c1cccc(B(O)O)c1 863869489 PDSOXOBITALZSN-UHFFFAOYSA-N 276.101 -0.682 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)C2CCOCC2)C1 883064337 YNBZPAWOVCVSHZ-NSHDSACASA-N 285.344 -0.719 50 20 CBGD C[C@@H](NCc1cccc(B(O)O)c1)[C@@H](C)C(=O)O 901444747 IWKSQNOUAGVFSH-RKDXNWHRSA-N 251.091 -0.435 50 20 CBGD CC(=O)NNS(=O)(=O)c1cc(C(=O)O)c(O)cc1C 914688884 JKVOJDGIPAKAQK-UHFFFAOYSA-N 288.281 -0.272 50 20 CBGD CON(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 917170842 BMKCWQIZUQCWND-UHFFFAOYSA-N 282.256 -0.151 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC1(N(C)C)CC1 922986701 JQOWQMOWQRKFMC-UWVGGRQHSA-N 284.360 -0.164 50 20 CBGD NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1 1118975005 KWDYZOSIJAXAND-VIFPVBQESA-N 298.129 -0.977 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCC[S@@](C)=O 1121829890 PAKGVUKJHZIETJ-KCOIQQTGSA-N 291.373 -0.490 50 20 CBGD C[C@@H]1CCN(CCNC(=O)NNC(=O)c2cccnn2)C1 1262376893 GCIRAWNZUCPCQI-SNVBAGLBSA-N 292.343 -0.238 50 20 CBGD Cc1cc(=NNC(=O)N[C@H]2CCOC2=O)cc[nH]1 1263744493 GZTOBVHHLROZIU-VIFPVBQESA-N 250.258 -0.246 50 20 CBGD Cn1nc(C(=O)NNC(=O)OC(C)(C)C)ccc1=O 1317700969 WPXNKGDKZKTSJZ-UHFFFAOYSA-N 268.273 -0.050 50 20 CBGD O=C(NNc1cccnn1)N[C@@H]1CCCS(=O)(=O)C1 1320271160 CJEQMVQRAPFMJF-MRVPVSSYSA-N 285.329 -0.320 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H](C)c1nncn1C 1320465258 AFZBNWFAQUDWTA-YUMQZZPRSA-N 268.321 -0.588 50 20 CBGD COC(=O)N(C)NC(=O)c1coc(S(N)(=O)=O)c1 1323787527 SSEWVVWOOMGUNI-UHFFFAOYSA-N 277.258 -0.730 50 20 CBGD COc1c(C(=O)NNC(=O)CO)cnn1-c1ccccc1 1324084842 FMZBAGZCVMUANZ-UHFFFAOYSA-N 290.279 -0.366 50 20 CBGD Cn1nnc2c1C[C@@H](C(=O)NNc1ncc(F)cn1)CC2 1324315230 AGLVDUDYNHIUAI-ZETCQYMHSA-N 291.290 -0.008 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCc1cnccn1 1326013275 LYHKNFBZTCLUEA-KOLCDFICSA-N 293.327 -0.226 50 20 CBGD CCn1cc(CNC(=O)NNC(=O)C(C)C)nn1 1327898362 SEOPMRHQESLSLV-UHFFFAOYSA-N 254.294 -0.216 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@@]12CCOC2)C1CCOCC1 1330831652 WUGNPMWEFDDMRY-ZWNOBZJWSA-N 268.313 -0.013 50 20 CBGD COc1nn(C)cc1C(=O)NNc1cc(C)nc(N)n1 1330856853 RYIJORMCFIPURL-UHFFFAOYSA-N 277.288 -0.134 50 20 CBGD CS/C=C\C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1331365581 WLMIYBHTERTJLN-ZZZKRKDRSA-N 293.370 -0.619 50 20 CBGD O=S(=O)(C[C@@H]1CCCOC1)N1CC[C@H](B(O)O)C1 1331894748 GCVBJUHHOTWBOU-ZJUUUORDSA-N 277.151 -0.709 50 20 CBGD O=C(Cc1cc(O)nc(O)n1)NN=C[C@H]1CCCOC1 1347634897 YLBXKKPRSRFBLB-MRVPVSSYSA-N 280.284 -0.041 50 20 CBGD Cc1cc(C)cc(OCC(=O)NNC(=O)C2(O)CNC2)c1 1574129467 QWTLGYYEBRMYRA-UHFFFAOYSA-N 293.323 -0.836 50 20 CBGD CC(C)(C)n1cc(C(=O)NNC(=O)[C@H]2CCN2)cn1 1575291302 MJPUDOUSLHZXFS-SECBINFHSA-N 265.317 -0.239 50 20 CBGD O=C(NNC(=O)[C@@H]1CC[C@H]1C(=O)O)[C@@H]1CCCCO1 1594782728 IXDWPVQRSFPXKB-HLTSFMKQSA-N 270.285 -0.186 50 20 CBGD Cc1cccc(NC(=O)C(=O)NNC(=O)C(=O)O)c1 1600538812 QMNURPYQSSHUSR-UHFFFAOYSA-N 265.225 -0.834 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C1(C(=O)O)CCC1 1605388376 ONPOQGMOJUWIPG-UHFFFAOYSA-N 266.257 -0.266 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCO[C@@H](C2CC2)C1 1608477553 LIDDPMHHVAVDQJ-HTQZYQBOSA-N 271.273 -0.641 50 20 CBGD C[C@H](C(=O)O)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 1609701187 SURXCKKOCAXQQQ-LURJTMIESA-N 289.288 -0.621 50 20 CBGD COCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847558338 JHWHDBFRRDDDSP-LPEHRKFASA-N 290.747 -0.566 50 20 CBGD COc1ccnc(NNC(=O)CN(C)C(C)=O)n1 46365921 NDBGHQXFFLSEOZ-UHFFFAOYSA-N 253.262 -0.593 50 20 CBGD Cc1ccc(NNC(=O)N[C@@H]2CCN(C)C2=O)nn1 130066755 QVGSPCLMXPYPJJ-MRVPVSSYSA-N 264.289 -0.358 50 20 CBGD CCn1cc(NC(=O)NNC(=O)CN(C)C)cn1 155607266 VCQBVGHUJSXBJO-UHFFFAOYSA-N 254.294 -0.383 50 20 CBGD Cc1cccc(C)c1OCC(=O)NNC(=O)CO 180963959 MUNSJDBMQKDPMP-UHFFFAOYSA-N 252.270 -0.178 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)co1 189216133 RBWORKFGTHBISC-UHFFFAOYSA-N 265.269 -0.029 50 20 CBGD COc1ccc(OCC(=O)NNC(=O)CN(C)C)cc1 263836445 GHWGQDBFHXGXQF-UHFFFAOYSA-N 281.312 -0.217 50 20 CBGD COCCNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O 266457693 POLGODZESYKWCJ-UHFFFAOYSA-N 298.255 -0.109 50 20 CBGD COC(=O)N(C)NC(=O)C(=O)N1CCC[C@@H](C)C1 286436928 RJHGRQNVYOUVTD-MRVPVSSYSA-N 257.290 -0.026 50 20 CBGD COC(=O)NNC(=O)Cn1c(=O)nc(O)c2ccccc21 495407859 NNYMJIIXXKOFIN-UHFFFAOYSA-N 292.251 -0.511 50 20 CBGD COC(=O)NNC(=O)c1cncc(C(=O)OC)c1 495449458 XCXNWFWHTPVADJ-UHFFFAOYSA-N 253.214 -0.131 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1C[C@]12CCOC2 584911922 ATMPATGVTBETJK-AAEUAGOBSA-N 261.086 -0.269 50 20 CBGD CCN1CCC[C@H]1CNC(=O)c1ccc(B(O)O)cc1 584926117 ZRSZNMKPOAXNGM-ZDUSSCGKSA-N 276.145 -0.420 50 20 CBGD C[C@@H]1CC[C@H](CO)CN1C(=O)c1ccc(B(O)O)c(F)c1 584967850 NPMDJUVEKMBNIH-ZJUUUORDSA-N 295.119 -0.262 50 20 CBGD CC(C)CC[C@H](CO)NC(=O)c1ccc(B(O)O)cc1 585010546 UITJYHJBUSGLDR-CYBMUJFWSA-N 279.145 -0.107 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2[C@@H]3COC[C@@H]3[C@@H]2C1 585010748 YPGIBWFFFZNKIJ-KPWCQOOUSA-N 287.124 -0.669 50 20 CBGD OB(O)c1ccccc1CNCCCn1ccnc1 585013956 DKEIBVUGGQGHMD-UHFFFAOYSA-N 259.118 -0.257 50 20 CBGD CC(C)(O)CCNCc1ccc(B(O)O)cc1F 585037053 UIUNVICHONNQHQ-UHFFFAOYSA-N 255.098 -0.244 50 20 CBGD CC(C)(CNCc1ccc(B(O)O)o1)[C@@]1(O)CCCOC1 585050393 XIDZEEMSKNUMPS-CQSZACIVSA-N 297.160 -0.383 50 20 CBGD O=S(=O)(CCC1CCOCC1)N1CC[C@H](B(O)O)C1 585056563 QYPFVSBMPDKZFD-NSHDSACASA-N 291.178 -0.318 50 20 CBGD O=C(NNC(=O)C1=CCCCO1)C(=O)N1CCCC1 746184546 AFTBVIYVCDJXGM-UHFFFAOYSA-N 267.285 -0.550 50 20 CBGD CC(=O)N[C@@H](CC(=O)NNc1ccccc1F)C(N)=O 748055712 BJJLWVHBMWMEGN-JTQLQIEISA-N 282.275 -0.351 50 20 CBGD COCC(C)(C)C=NNC(=O)[C@H](C)NS(C)(=O)=O 754942459 DJUVWWRXOQLRHP-QMMMGPOBSA-N 279.362 -0.301 50 20 CBGD C[C@H]1OCC[C@@]1(C)NCC(=O)NNC(=O)C1CC1 755170047 PZQCKUOUFSYNAQ-PRHODGIISA-N 255.318 -0.299 50 20 CBGD COc1ccc(NC(=O)NNC(=O)CO)c(OC)n1 756249583 ZDNDAPWSVNJNDL-UHFFFAOYSA-N 270.245 -0.756 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cnc3nccnc3c2)cn1 759102516 TXTQZBUKGYDOCO-UHFFFAOYSA-N 297.278 -0.167 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(C)[C@H](C)C1 761078290 WORLSSQJAPJABW-ZJUUUORDSA-N 256.350 -0.432 50 20 CBGD CN(NC(=O)C[C@@H](NC(N)=O)c1ccccc1)C(N)=O 778417954 ZXTCCJHHFKQAJS-SECBINFHSA-N 279.300 -0.172 50 20 CBGD CC[C@H](CO)C(=O)NNC(=O)CNC(=O)c1cccs1 779763050 HOROBIROGDJEOF-MRVPVSSYSA-N 299.352 -0.356 50 20 CBGD CNC(=O)CCCC(=O)NNC(=O)c1ccncc1 780146268 RGFMHMINILMVFE-UHFFFAOYSA-N 264.285 -0.241 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@@H](CC(N)=O)C1 808773446 LSFMSEZROBOIDX-QWRGUYRKSA-N 298.387 -0.234 50 20 CBGD O=C(CN1CC[C@H](n2cccn2)C1)NNC(=O)C1CC1 812875585 VPWTYWPEULVJSG-NSHDSACASA-N 277.328 -0.313 50 20 CBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)CC1CC1 819136144 NFVDBCXGTLSYKI-ZETCQYMHSA-N 262.331 -0.385 50 20 CBGD Cc1nn(C)c(-n2cccn2)c1C(=O)NN(C)C[C@H](C)O 821217564 LAWBYYDKBVFVQS-VIFPVBQESA-N 292.343 -0.128 50 20 CBGD CCNC(=O)NNC(=O)COc1ccc(CO)cc1 823798552 GBHLYOKDSYPYEA-UHFFFAOYSA-N 267.285 -0.092 50 20 CBGD CCN(CCO)NC(=O)COCc1cccnc1 823885139 XLXBBJZGIBQKBH-UHFFFAOYSA-N 253.302 -0.056 50 20 CBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NN(C)[C@H](C)CO)C2 823918368 VZXRTMNVSNJANB-RHYQMDGZSA-N 297.355 -0.027 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NNC(=O)C1CCCC1 826623362 CZNXCBACLZFDCZ-SCZZXKLOSA-N 298.343 -0.037 50 20 CBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=O)[C@H]1CCCCO1 841437968 GURQWMVUVQMCGS-XLPZGREQSA-N 271.273 -0.800 50 20 CBGD CCCN(CC(=O)NNC(=O)C1CC1)[C@@H]1CCNC1 843349143 ITFYQDNWABCMKS-LLVKDONJSA-N 268.361 -0.382 50 20 CBGD O=C(NNc1cccc(Cl)n1)[C@@H]1CCS(=O)(=O)N1 846210939 DOTJFMLVUFPENV-LURJTMIESA-N 290.732 -0.130 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCCS2(=O)=O)n[nH]1 847625954 BEMBVVODRXIMLJ-MRVPVSSYSA-N 286.313 -0.944 50 20 CBGD C[C@H](C(=O)NNC(=O)c1cc[nH]n1)N1CCSCC1 855357430 JERVEAROAYTPMS-MRVPVSSYSA-N 283.357 -0.392 50 20 CBGD CC(C)(C(N)=O)C(=O)NNC(=O)OCC(F)(F)F 856020378 FEDIUZWIUIOECN-UHFFFAOYSA-N 271.195 -0.182 50 20 CBGD Cc1nc(C)c(C(=O)NNC(=O)N2CCN(C)CC2)[nH]1 857189793 NSJFEKZRPNQHQW-UHFFFAOYSA-N 280.332 -0.372 50 20 CBGD CCN1CCC[C@@H]1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858120673 ITHKOEURJLTBRL-ZJUUUORDSA-N 297.359 -0.920 50 20 CBGD CCCN1CCC[C@@H]1C(=O)NNC(=O)CS(C)(=O)=O 863459343 BEFRPOHFNOQLCB-SECBINFHSA-N 291.373 -0.947 50 20 CBGD CC[C@@](C)(CC(=O)OC)NC(=O)c1ccc(B(O)O)cc1 863875659 ASZTWPVZGFSTEM-AWEZNQCLSA-N 293.128 -0.172 50 20 CBGD OB(O)c1ccccc1CNc1cccc(-n2cnnn2)c1 864025948 NDGSUXMJQRCOQK-UHFFFAOYSA-N 295.111 -0.046 50 20 CBGD O=C(CN1C[C@@H]2CC[C@H](C1)N2)NNC(=O)c1ccccc1 866679825 KUWBREONLXPHFI-BETUJISGSA-N 288.351 -0.116 50 20 CBGD CC[C@]1(C(=O)NNc2ncc(F)cn2)CCNC1=O 867042475 IMECBWUVAYIGRG-NSHDSACASA-N 267.264 -0.025 50 20 CBGD O=C1[C@H](NS(=O)(=O)CCl)CCN1C1CCOCC1 867591929 JURVFNZVYBJTDU-SECBINFHSA-N 296.776 -0.118 50 20 CBGD CN1CCC[C@H]1C(=O)NNc1nccn(C)c1=O 896827385 GXGGGMXSFGMOBG-QMMMGPOBSA-N 251.290 -0.682 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 910170310 JPBQTQQAZJFMGS-XLPZGREQSA-N 297.277 -0.213 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 910174743 WOXHLYDWBYRVKS-DTWKUNHWSA-N 255.318 -0.659 50 20 CBGD CC(C)C(=O)NNC(=O)CN[C@@]1(C)CC(C)(C)OC1=O 930874834 TYJGVRJODPTLMH-ZDUSSCGKSA-N 285.344 -0.136 50 20 CBGD CC(C)[C@H](C#N)C=NNC(=O)[C@H](C)NS(C)(=O)=O 1116348061 KXTVGLGVVRTVFS-DTWKUNHWSA-N 274.346 -0.178 50 20 CBGD COC1CCC(C(=O)NNC(=O)C(=O)NC2CC2)CC1 1116710173 OVOYCCDUUITXPP-UHFFFAOYSA-N 283.328 -0.382 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1nnc(O)c2ccccc12 1116745942 FPZPCNOAEDNLOI-UHFFFAOYSA-N 290.279 -0.133 50 20 CBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1nncc(N)c1Cl 1118023162 HCRIDLCCSIELSA-CVYQJGLWSA-N 286.679 -0.348 50 20 CBGD C[C@H](CNC(=O)NNC(=O)c1cccnn1)N(C)C1CC1 1119289376 IDIRUNOYNZUTGT-SECBINFHSA-N 292.343 -0.097 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)c1cncnc1 1321175428 WYQPSWSCGHONFU-UHFFFAOYSA-N 263.179 -0.017 50 20 CBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C)nn1C 1323944794 MQXHLKQVCJKLKP-ZETCQYMHSA-N 281.316 -0.139 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2C[C@@]23CCOC3)nc1O 1325526519 UMNPPRMQHIEGRJ-RDDDGLTNSA-N 265.273 -0.245 50 20 CBGD O=C(NNS(=O)(=O)c1ccoc1)c1cnccn1 1325849649 RISMWSXJLFNQLA-UHFFFAOYSA-N 268.254 -0.307 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC(C(N)=O)CC1 1326026866 KTWRSBHKJDYODJ-SCZZXKLOSA-N 298.343 -0.651 50 20 CBGD O=C1CC[C@@H](C(=O)NNc2nc(-c3cccnc3)no2)N1 1327639238 BZPDETAMLCMQAQ-QMMMGPOBSA-N 288.267 -0.147 50 20 CBGD C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1cnnn1C 1327873621 ILAVKFFQABHGIL-BDAKNGLRSA-N 269.305 -0.158 50 20 CBGD CNC(=S)N(C)NC(=O)CCc1cncnc1 1328744314 JRRXTZKYTFESCI-UHFFFAOYSA-N 253.331 -0.124 50 20 CBGD Cc1nn(C)c(C)c1CC(=O)NNC(=O)[C@H]1CCC(=O)N1 1329172993 RATVKDGLCKXUNZ-SNVBAGLBSA-N 293.327 -0.995 50 20 CBGD COCCOCC(=O)NN=Cc1cc(COC)on1 1329673206 TVWXARNJGNMECS-UHFFFAOYSA-N 271.273 -0.066 50 20 CBGD COCCn1cc(C(=O)NNC(=O)N(C)C)cn1 1329701575 XTAXNKVHONVFKF-UHFFFAOYSA-N 255.278 -0.555 50 20 CBGD Cn1cc([C@@H](O)C(=O)NNc2nncc(N)c2Cl)cn1 1331164816 JJWPSHGMUHWOOG-MRVPVSSYSA-N 297.706 -0.378 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCC(F)(F)C1 1333356311 FGBPGJSOMTVNNY-YFKPBYRVSA-N 265.216 -0.322 50 20 CBGD CCOC[C@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)CCO1 1348122188 FGBVYMICFNISON-SNVBAGLBSA-N 297.315 -0.499 50 20 CBGD CC(C)c1nn(C)cc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1348385999 CNFKYZJNDZFZTJ-SECBINFHSA-N 293.327 -0.417 50 20 CBGD O=C(O)C1=NO[C@H](C(=O)NN=c2cc[nH]cc2)C1 1574644318 SGOYAVMYKROURY-QMMMGPOBSA-N 250.214 -0.824 50 20 CBGD COC[C@H](N)C(=O)NNC(=O)CSc1ccccc1O 1579086819 DMKGZQAQCSJGND-QMMMGPOBSA-N 299.352 -0.395 50 20 CBGD COC[C@H](N)C(=O)NNC(=O)COc1ccccc1OC 1579086829 FJGKYIHPPAYOTK-VIFPVBQESA-N 297.311 -0.805 50 20 CBGD CC(C)NC(=S)NNC(=O)c1cc(C(=O)O)no1 1591660994 SCEWOMHVKNSIGV-UHFFFAOYSA-N 272.286 -0.110 50 20 CBGD O=C(O)c1ccccc1NNC(=O)[C@@]1(O)CCOC1 1602471112 CUAOHCYAZPQSFY-GFCCVEGCSA-N 266.253 -0.021 50 20 CBGD O=C(NNC(=O)C1CC1)c1ccnc(-c2nn[nH]n2)c1 1606849214 GRJXNYGXXROLOF-UHFFFAOYSA-N 273.256 -0.567 50 20 CBGD COc1cccc(C)c1NC(=O)C(=O)NNC(=O)C(=O)O 1610354389 KOAVQJQXGUKMPO-UHFFFAOYSA-N 295.251 -0.826 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc2c(c1)CCO2 48962077 FDDCWEOYRDQFBQ-UHFFFAOYSA-N 271.298 -0.256 50 20 CBGD CCCS(=O)(=O)CC(=O)NNC(=O)NCC1CC1 49166234 BKHPTAVELQCYRL-UHFFFAOYSA-N 277.346 -0.448 50 20 CBGD CCCC(=O)NNC(=O)CNC(=O)c1ccco1 156894543 VITFJNYQTRRAFJ-UHFFFAOYSA-N 253.258 -0.043 50 20 CBGD C[C@H]1CCNC(=O)[C@@H]1NC(=O)NNC(=O)C(C)(C)C 193872896 ANQWYMFVNKHTCA-JGVFFNPUSA-N 270.333 -0.113 50 20 CBGD COc1cccc(NNC(=O)[C@@H]2COCCO2)n1 272584361 YSLMDGKDJCSWAB-QMMMGPOBSA-N 253.258 -0.051 50 20 CBGD COC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)c1cnn(C)c1 285516200 OMQACCSULCXTAM-BDAKNGLRSA-N 280.284 -0.620 50 20 CBGD Cc1ncc(C(=O)NNC(=O)N2CCN(C)CC2)c(C)n1 287984621 NNPPCHNYHVFURL-UHFFFAOYSA-N 292.343 -0.305 50 20 CBGD Cc1ccnc2nc(C(=O)NNC(=O)CC3CC3)nn12 294060393 GLICXWRWAJCYJV-UHFFFAOYSA-N 274.284 -0.006 50 20 CBGD O=C(CCN1CCOC1=O)NNC(=O)NCC(F)(F)F 494418061 MRSQGMFFLFEYSK-UHFFFAOYSA-N 298.221 -0.279 50 20 CBGD CSC[C@@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584947909 FQNTXXQDSWGTKQ-SSDOTTSWSA-N 271.122 -0.013 50 20 CBGD CC(C)(C)C[C@@H](CO)NC(=O)c1ccc(B(O)O)cc1 584965681 UNXXQRODYHFBPP-LBPRGKRZSA-N 279.145 -0.107 50 20 CBGD C[C@@H]1OCC[C@]1(C)NC(=O)c1cccc(B(O)O)c1 584972566 AGOGNTKUFMVVMK-ZANVPECISA-N 263.102 -0.336 50 20 CBGD C[C@@H]1COCC[C@@H]1CNC(=O)c1cccc(B(O)O)c1 584989556 QIEWGOTVHHEYII-ZYHUDNBSSA-N 277.129 -0.231 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@]12CCOC2 584995445 WEUJWFGPWJVYRP-AWEZNQCLSA-N 275.113 -0.239 50 20 CBGD CC(C)(CN1CCCC1)NC(=O)c1cccc(B(O)O)c1 584998722 HIJBWTPNPLQXDF-UHFFFAOYSA-N 290.172 -0.029 50 20 CBGD CC(C)(O)C(C)(C)CNC(=O)c1ccc(B(O)O)cc1 585000448 PRBIXCGNBPUKDA-UHFFFAOYSA-N 279.145 -0.107 50 20 CBGD Cn1ncc2c1CCCN(C(=O)c1cccc(B(O)O)c1)C2 585002478 WPHZRZPLTMBCJL-UHFFFAOYSA-N 299.139 -0.312 50 20 CBGD Cc1nccn1CCNCc1ccccc1B(O)O 585020971 NLPNLFGOPGJYEA-UHFFFAOYSA-N 259.118 -0.339 50 20 CBGD COCCOC[C@@H](C)NCc1ccc(B(O)O)o1 585027377 RPTICKANGLLGKP-SECBINFHSA-N 257.095 -0.900 50 20 CBGD Cc1nc(CCNCc2ccc(B(O)O)o2)c(C)o1 585033306 AWKLCJKRUDPXSF-UHFFFAOYSA-N 264.090 -0.103 50 20 CBGD OB(O)c1cccc(CNCCN2CCCOCC2)c1 585041206 VWPGWDPLGCAJEO-UHFFFAOYSA-N 278.161 -0.822 50 20 CBGD CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NCB(O)O 585059503 PWHFRFRTFYXLDI-QMMMGPOBSA-N 273.142 -0.763 50 20 CBGD C[C@@]1(CO)C[C@H](O)CN1S(=O)(=O)CCCCl 698133873 RIAXXPKTSFYUKZ-IUCAKERBSA-N 271.766 -0.237 50 20 CBGD CC(=O)NNC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O 726621216 QPTHJPKGOWUQIM-ZETCQYMHSA-N 282.300 -0.593 50 20 CBGD CCOCC(=O)NNC(=O)Nc1cccc(C(N)=O)c1 731217727 KPGWEAOCNUVGSL-UHFFFAOYSA-N 280.284 -0.025 50 20 CBGD COc1ncc(C(=O)NNC(=O)c2ccncc2)cn1 733949064 QTTZFCLELLWXGF-UHFFFAOYSA-N 273.252 -0.045 50 20 CBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)O)o1 737701371 YIAMRYWBHZTYII-UHFFFAOYSA-N 264.215 -0.473 50 20 CBGD CO[C@H](C)CC(=O)NNC(=O)CNC(=O)c1ccco1 751200538 WQCCAHDHVUTTEJ-MRVPVSSYSA-N 283.284 -0.418 50 20 CBGD Cc1n[nH]cc1C=NNC(=O)CNC(=O)c1cccnc1 763192547 HHOOXEITJZDCMD-UHFFFAOYSA-N 286.295 -0.007 50 20 CBGD Cc1ccc(NNC(=O)NC[C@@H]2CCCS2(=O)=O)nn1 765890719 MOSUDNIFTLPELA-VIFPVBQESA-N 299.356 -0.012 50 20 CBGD COC(=O)c1coc(S(=O)(=O)NNC(C)=O)c1 775248305 XHNZJPRAYBCVIF-UHFFFAOYSA-N 262.243 -0.604 50 20 CBGD COc1cncc(C(=O)NNC(=O)NCC(F)(F)F)n1 791117008 BCXKWEBJMKXRQO-UHFFFAOYSA-N 293.205 -0.009 50 20 CBGD CCNC(=O)[C@H](C)NC(=O)NNC(=O)c1cccc(C)n1 792788537 ODPUGZSVXXFFII-VIFPVBQESA-N 293.327 -0.141 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@](C)(O)C1CC1 804355071 QETHBOMMEVKLHV-LLVKDONJSA-N 252.274 -0.360 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)[C@H](C)C(=O)O 817858583 JPESNFNAFSRVPR-RKDXNWHRSA-N 273.333 -0.027 50 20 CBGD O=C(NN=C1CCN(CCO)CC1)c1ncccn1 819814285 YZISFHVEWJEJSD-UHFFFAOYSA-N 263.301 -0.350 50 20 CBGD COC(=O)C12CC(C(=O)NN(C)[C@H](C)CO)(C1)C2 823912590 INGFVMIYOUAVBA-HUUUCTMMSA-N 256.302 -0.327 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CNC(=O)OC(C)(C)C 823965589 PPIUGFAOSGJOGW-QMMMGPOBSA-N 261.322 -0.145 50 20 CBGD CC(C)NC(=O)CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 825566711 NZIZCWGBVVFHLE-IUCAKERBSA-N 286.332 -0.734 50 20 CBGD CN(C)CCCNC(=O)NNC(=O)[C@@H]1CCCCO1 837317893 PZZPIWSUFYNCSW-JTQLQIEISA-N 272.349 -0.162 50 20 CBGD NC(=O)C(=O)NN=C1CCN(Cc2ccccc2)C1 839385630 WUGVIUAHLNNMCZ-UHFFFAOYSA-N 260.297 -0.150 50 20 CBGD CCCN1C[C@@H](C(=O)NNC(=O)[C@H]2CCCCO2)CC1=O 839780793 FIRMJTGPACRHDT-WDEREUQCSA-N 297.355 -0.039 50 20 CBGD Cn1nnc2c1CC[C@@H](NS(=O)(=O)CCl)C2 848490454 HLQXZHSVSPIQSB-ZCFIWIBFSA-N 264.738 -0.212 50 20 CBGD CCS(=O)(=O)N[C@@H](C)C(=O)NN(C)C(=O)OC 854408908 CGYNNTJCXLZDDV-LURJTMIESA-N 267.307 -0.956 50 20 CBGD C[C@@]1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCOC1 858217069 JPPSAYFAOROWPX-UFBFGSQYSA-N 284.316 -0.978 50 20 CBGD CCN(C[C@H]1CCCO1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858699385 PIHNKJGWPZHKPS-ZJUUUORDSA-N 298.343 -0.493 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)c1cn[nH]c1 862469955 WMNXLNHEYKWBFK-NBEYISGCSA-N 262.269 -0.214 50 20 CBGD C[C@H](O)CN(C)NC(=O)CNC(=O)OCC(F)(F)F 910163376 BNMJTZTXQCLLCY-LURJTMIESA-N 287.238 -0.381 50 20 CBGD C[C@@H]1NC(=O)[C@H](C)N(C(=O)c2ccc(B(O)O)cc2)[C@H]1C 911778859 NBSPFBDUBGSTJW-GUBZILKMSA-N 290.128 -0.896 50 20 CBGD O=C(C[C@H]1CCCO1)NNC(=O)CN1CCCC1=O 913733751 UPKQBUKBCVYMTA-SECBINFHSA-N 269.301 -0.675 50 20 CBGD CN1C[C@@H](C(=O)NNC(=O)C2CCCC2)CC1=O 914843784 AGWDUZKLZXBEKX-VIFPVBQESA-N 253.302 -0.198 50 20 CBGD CC(C)S(=O)(=O)CC(=O)NNC(=O)CC(F)(F)F 918367250 OBZZHXLUOBVQQR-UHFFFAOYSA-N 290.263 -0.091 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc(-n2cncn2)nc1 1116745729 CAQNWRGWUHZZBU-UHFFFAOYSA-N 290.283 -0.806 50 20 CBGD CCOC(=O)NCCC(=O)NNc1ccn(C)n1 1256186171 ZEJVSNNSVOHKED-UHFFFAOYSA-N 255.278 -0.001 50 20 CBGD O=C(NNC(=O)[C@H]1CCNC1=O)c1ccc(Cl)cc1O 1261764943 SHGKZJUXZKBCOZ-QMMMGPOBSA-N 297.698 -0.057 50 20 CBGD C#CCOCCN(C)[C@@H](C)C(=O)NNC(=O)CC 1319655403 GYKCTHCYXRSYPM-JTQLQIEISA-N 255.318 -0.486 50 20 CBGD COCCC1(CNC(=O)NNC(=O)C(=O)OC)CCC1 1319685460 FCXUYHUVBGFUPQ-UHFFFAOYSA-N 287.316 -0.303 50 20 CBGD COc1cncc(C(=O)NNc2nccn(C)c2=O)n1 1320709840 MRRKCYUXOLTTQH-UHFFFAOYSA-N 276.256 -0.664 50 20 CBGD COC(=O)N(C)NC(=O)CCC[C@@]1(C)NC(=O)NC1=O 1322015379 RCCDBRASKMVGCG-LLVKDONJSA-N 286.288 -0.516 50 20 CBGD Cn1cc(C(=O)NNc2ncnc3[nH]cnc23)nn1 1323714764 YITOUZUXDRLTEJ-UHFFFAOYSA-N 259.233 -0.762 50 20 CBGD O=C(NCCc1cn[nH]c1)NNC(=O)c1ccc[nH]1 1324690742 PMAPYYITPOXIMX-UHFFFAOYSA-N 262.273 -0.076 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cn(C)nn1 1328311716 RENFHMSYAGKMMM-UHFFFAOYSA-N 285.304 -0.635 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)NCCn2cnnc2)cn1 1328401247 DOENSJNSWULXHT-WCIBSUBMSA-N 271.284 -0.265 50 20 CBGD Cn1c(=O)oc2c(C(=O)N3CC[C@@H](B(O)O)C3)cccc21 1329672483 QIJACGCQLSQDNP-MRVPVSSYSA-N 290.084 -0.180 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CC(C)=NO1 1334105613 DPSRKTBHERTZRF-VIFPVBQESA-N 284.316 -0.397 50 20 CBGD Cc1ncncc1C(=O)NNC(=O)c1cnn(C)c1 1339203687 BRNPZWIHCOXUHE-UHFFFAOYSA-N 260.257 -0.407 50 20 CBGD Cn1ncc(C2CC2)c1C(=O)N1CC[C@H](B(O)O)C1 1348490559 SNZOTYOILSNUEO-VIFPVBQESA-N 263.106 -0.014 50 20 CBGD N[C@@H]1CCC[C@@H]1C(=O)NNC(=O)Cc1ccccn1 1580376337 RNTDGWLQMJYILF-WDEREUQCSA-N 262.313 -0.101 50 20 CBGD C[C@](C#N)(CC(=O)O)C(=O)NNC(=O)c1ncccn1 1588542168 TVUVDQMVJWRQAU-LLVKDONJSA-N 277.240 -0.758 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc(C(=O)O)cn1 1589415030 DUIVJUQLSZEFAE-NKWVEPMBSA-N 294.267 -0.639 50 20 CBGD CCNC(=O)NNC(=O)C1(C(=O)O)CCOCC1 1589909567 SPIARTPWSLVYBK-UHFFFAOYSA-N 259.262 -0.782 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CC[C@@H](C(=O)O)O2)o1 1600341032 JUVGLZHKNVQKEU-BDAKNGLRSA-N 282.252 -0.019 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CC[C@H](CCC(=O)O)O1 1605449313 ADKDPPLQYXBXPV-ZJUUUORDSA-N 274.317 -0.256 50 20 CBGD Cn1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)o2)n1 1606254090 XJXAPSYYJFAYIA-UHFFFAOYSA-N 274.244 -0.050 50 20 CBGD N#C/C(=C/c1ccc(O)cc1)C(=O)NC[C@H](O)C(=O)O 1610618326 GAHUARUNUUCWBD-GWZUUTHWSA-N 276.248 -0.139 50 20 CBGD NNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 71372579 PPDMHYDQWLPNHK-UHFFFAOYSA-N 284.341 -0.528 50 20 CBGD in-vitro C[C@@H](NC(=O)c1ccoc1)C(=O)NNC(=O)CN(C)C 170796965 FDGHYGPKOFRLAE-MRVPVSSYSA-N 282.300 -0.893 50 20 CBGD CN(C)c1ccc(NC(=O)NNC(=O)CO)cc1 186392879 FRYGWCSMELUTNW-UHFFFAOYSA-N 252.274 -0.102 50 20 CBGD COC(=O)NCC(=O)NNC(=S)NCCSC 271224173 AEHCDHMOXIFFGP-UHFFFAOYSA-N 280.375 -0.799 50 20 CBGD CCNC(=O)N(C)NC(=O)Cn1c(C)cc(O)cc1=O 272678019 MRPIWBVIYVNLNI-UHFFFAOYSA-N 282.300 -0.445 50 20 CBGD CCS(=O)(=O)CC(=O)NNc1nccnc1OC 274150039 YWSYEKRACTVLOJ-UHFFFAOYSA-N 274.302 -0.637 50 20 CBGD CNc1nnc(CC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)s1 294020491 WQQWFEDSKWFLDM-BQBZGAKWSA-N 299.356 -0.163 50 20 CBGD CN(NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)C(N)=O 368087364 UXDWRPCLMPRUMZ-SECBINFHSA-N 291.311 -0.528 50 20 CBGD C[C@@H]1CC[S@@](=O)CCN1C(=O)c1cccc(B(O)O)c1 584982273 JRFXHKMWNMUHJG-CFMSYZGJSA-N 295.169 -0.651 50 20 CBGD CN(C)[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)CC1 584982592 LRODIFGMPDQJPD-AWEZNQCLSA-N 290.172 -0.077 50 20 CBGD C[C@H]1[C@H](N(C)C)CCN1C(=O)c1ccc(B(O)O)cc1 584993003 REYIHPSFEJKRPC-GXFFZTMASA-N 276.145 -0.469 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2[C@@H](CF)[C@@H]2C1 584998831 AXUNNYJAUVBSBU-CNDDSTCGSA-N 263.077 -0.346 50 20 CBGD C[C@@H](CNCc1ccc(B(O)O)cc1)[S@](C)=O 585035171 QMWVQTWDGFGZFS-XYZCENFISA-N 255.148 -0.777 50 20 CBGD C[S@](=O)[C@@H]1CCC[C@H](NCc2ccc(B(O)O)o2)C1 585047464 PPTCQHLTAYVGJT-NWJBQHJCSA-N 285.174 -0.261 50 20 CBGD CC(=O)N1CC(c2nc(-c3cccc(B(O)O)c3)no2)C1 585053220 IMNLIDKDUNBBNV-UHFFFAOYSA-N 287.084 -0.638 50 20 CBGD O=C(Cc1c[nH]c2ccccc12)NNC(=O)Cn1cnnn1 726150979 DEYAKABECWJUHB-UHFFFAOYSA-N 299.294 -0.456 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)c2ccccn2)CC1 727752106 CDBOEILCZZQVPA-UHFFFAOYSA-N 262.269 -0.631 50 20 CBGD CN(C)CC(=O)NN=Cc1cccc(-c2nn[nH]n2)c1 736760782 CRZQXYKIUSSEFA-UHFFFAOYSA-N 273.300 -0.122 50 20 CBGD C=CCOCCCC(=O)NNC(=O)C(=O)NC1CC1 742488468 KFYHCVRIESQTJT-UHFFFAOYSA-N 269.301 -0.605 50 20 CBGD CC[C@H](NC(=O)NNC(=O)C(=O)NC1CC1)[C@H]1CCCO1 756738948 YLBLXJHBBAGMFL-VHSXEESVSA-N 298.343 -0.447 50 20 CBGD CN(C)c1ccc2c(c1)N(C)C(=O)C2=NNC(=O)CO 761834994 WAAGFSQQCPBKGB-UHFFFAOYSA-N 276.296 -0.458 50 20 CBGD Cn1nccc1NC(=O)NNC(=O)Cc1cc[nH]n1 775755937 XTQWRQTVZPJZAK-UHFFFAOYSA-N 263.261 -0.461 50 20 CBGD CCn1nccc1C(=O)NNC(=O)N1CCOCC1 775824694 LSANEHXDLQPFBO-UHFFFAOYSA-N 267.289 -0.410 50 20 CBGD O=C(NNc1ncncc1Cl)[C@H]1COCCO1 781828864 CDDOQXYTAPWOCU-SSDOTTSWSA-N 258.665 -0.012 50 20 CBGD CNC(=O)CN(C)CC(=O)NNC(=O)c1ccc(C)cc1 782579595 LRKPLBXDGGZAAC-UHFFFAOYSA-N 292.339 -0.566 50 20 CBGD CCOC(=O)[C@@H](C)N(CC(=O)NNC(=O)C1CC1)C1CC1 787369692 RDJUEUIXFSJXOR-SECBINFHSA-N 297.355 -0.040 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)COC(F)F)n1 794619628 JDCIFTOJHGDOKP-UHFFFAOYSA-N 276.243 -0.113 50 20 CBGD O=C(CN(CCO)CC(F)F)NNC(=O)C1CC1 796468758 YJJVCTJOHODYRZ-UHFFFAOYSA-N 265.260 -0.897 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CN(C)CCC(N)=O)cc1 796596139 RCUJJEAZBFWKEK-UHFFFAOYSA-N 292.339 -0.437 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H](O)C(C)C 813505201 QGVLRJLEEFRQHG-ZETCQYMHSA-N 265.404 -0.138 50 20 CBGD O=C(NNC(=S)NC1CCC1)N1CCOCC1 814196063 QRTPBBIYCKBOIN-UHFFFAOYSA-N 258.347 -0.040 50 20 CBGD CCN(CCO)NC(=O)CN(C)[C@H]1CCSC1 823869305 HPKOIYRNPAHYTG-JTQLQIEISA-N 261.391 -0.231 50 20 CBGD CCN(CCO)NC(=O)C(=O)N1CCC[C@H](C)C1 823873540 CXCRDGGTMKUGNF-JTQLQIEISA-N 257.334 -0.410 50 20 CBGD O=C(NNC(=O)C1(O)CCCCC1)c1ncccn1 841446068 QMOFSRYNDQCLHA-UHFFFAOYSA-N 264.285 -0.067 50 20 CBGD CC[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)[C@H](C)O 844146420 MXAAUZCXBABFLB-QCLAVDOMSA-N 258.318 -0.034 50 20 CBGD CCOC(=O)NNC(=O)Cn1nc2n(c1=O)CCCC2 845074455 NSSXCENXRBEKSG-UHFFFAOYSA-N 283.288 -0.842 50 20 CBGD O=C(NNc1ncncc1Cl)[C@@H]1CCS(=O)(=O)N1 845993322 LRMGCJLBAMXOOG-LURJTMIESA-N 291.720 -0.735 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2csc([N+](=O)[O-])c2)N1 862452481 WSCOEIFVPPIQMS-ZCFIWIBFSA-N 298.280 -0.304 50 20 CBGD COC(=O)C(C)(C)CCNC(=O)c1cccc(B(O)O)c1 863883102 RTEIUVYKCQPCGC-UHFFFAOYSA-N 293.128 -0.315 50 20 CBGD O=C(NC[C@H]1CCCOC1)c1cccc(B(O)O)c1 864953886 IEPHPXYJVHULMD-SNVBAGLBSA-N 263.102 -0.477 50 20 CBGD COCCOCC(=O)NNC(=S)NC(C)(C)C 865244192 GNCYGJPCMVOIMD-UHFFFAOYSA-N 263.363 -0.057 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=O)COc1ccc(F)cc1 910836259 FSQAAVCWNFGFOX-MRVPVSSYSA-N 297.286 -0.124 50 20 CBGD CSC(C)(C)C(=O)NNC(=O)CN1CCCC1=O 913733521 LQLKELGZTBHBKZ-UHFFFAOYSA-N 273.358 -0.102 50 20 CBGD CC(C)N1C(=O)C(=NNC(=O)C(N)=O)c2ccccc21 916272492 YFXFEWUGBVXGTK-UHFFFAOYSA-N 274.280 -0.253 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H]1CCCN(C(C)=O)C1 921042284 LEVWMZBWQJXXMW-SNVBAGLBSA-N 270.333 -0.015 50 20 CBGD O=C1CSC[C@@H](C(=O)NNc2ncccc2F)N1 935918004 HVKVDBNMDOWNDP-ZETCQYMHSA-N 270.289 -0.105 50 20 CBGD C[C@H](NCC(=O)NNC(=O)C(C)(C)C)c1ncn(C)n1 1116711491 PSMOSFSZNXZGFR-QMMMGPOBSA-N 282.348 -0.341 50 20 CBGD COC[C@H](C)NC(=S)NNC(=O)c1cccnn1 1119617529 KVSJFTRHXFNUKS-ZETCQYMHSA-N 269.330 -0.380 50 20 CBGD CCN(CCO)NC(=O)c1ccc(-c2nn[nH]n2)cn1 1143303882 ZPQWJJLVNAAFKL-UHFFFAOYSA-N 277.288 -0.779 50 20 CBGD NC(=O)c1ccc(NNC(=O)c2cnsn2)nn1 1319143129 RMZNEVATIAUJFP-UHFFFAOYSA-N 265.258 -0.816 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc2[nH]ncc2c1 1320240876 KEQUJASPCIREDJ-UHFFFAOYSA-N 291.267 -0.705 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccc2nnnn2c1 1322506313 ISVLZADKWZTMHO-UHFFFAOYSA-N 293.287 -0.895 50 20 CBGD CCC(=O)N1CC[C@H](C(=O)NNc2nnc(C)c(O)n2)C1 1322800062 DNSQZOBOEBPILG-QMMMGPOBSA-N 294.315 -0.413 50 20 CBGD CS(=O)(=O)CCC(=O)NNc1ncnc2[nH]cnc12 1323270180 TUJDEMWBAXNBEI-UHFFFAOYSA-N 284.301 -0.769 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H](CC(C)C)OC 1325361280 FUGJHLLOBLDRJA-QMMMGPOBSA-N 275.305 -0.449 50 20 CBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(=O)n(C)c1 1325516423 PSTTXIVJDLTJOF-MRVPVSSYSA-N 294.311 -0.483 50 20 CBGD CCNC(=O)NNC(=O)COCc1ccncc1 1330108595 AOTNBWURUPZNGN-UHFFFAOYSA-N 252.274 -0.052 50 20 CBGD O=C(Cn1cncn1)NNC(=O)OCC(F)(F)F 1330967189 ZRNSZBNVPICWPK-UHFFFAOYSA-N 267.167 -0.402 50 20 CBGD Cn1ncc2c(O)nc(N3CC[C@@H](B(O)O)C3)nc21 1331895153 JSEHILAZJTYREB-ZCFIWIBFSA-N 263.066 -0.878 50 20 CBGD O=C(/C=C\[C@H]1CCOC1)NNC(=O)c1cccnn1 1339780395 WSSBFFYVONKBTM-TYRPZCRBSA-N 262.269 -0.170 50 20 CBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNc1cccnn1 1346734687 FDKADGIOMKJGOJ-UWVGGRQHSA-N 262.317 -0.692 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CCc1cncs1 1347603955 UCRUNESZEZPUJQ-UHFFFAOYSA-N 284.341 -0.252 50 20 CBGD CCO/C=C(/C#N)C(=O)NC1(C(N)=O)CCOCC1 1351075361 UORBGBLNFFPZJK-HJWRWDBZSA-N 267.285 -0.419 50 20 CBGD CC(C)(C)NC(=O)CCNC(=O)NNC(=O)c1cn[nH]c1 1351342624 WMDSUXWNRCMEHZ-UHFFFAOYSA-N 296.331 -0.342 50 20 CBGD CC(C)C1(O)CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1353409800 IWFHORVLNUJJBE-UHFFFAOYSA-N 291.156 -0.011 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1591652439 IGINRWIBKNFXQD-RQJHMYQMSA-N 259.262 -0.643 50 20 CBGD C[C@@H](CC(N)=O)C(=O)NNc1ccc(C(=O)O)cn1 1592453543 WUCFBCIMBDALPQ-LURJTMIESA-N 266.257 -0.266 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H](C(=O)O)C2CCCC2)nn1 1594530280 JSNMSGDMGUTTJI-VIFPVBQESA-N 295.299 -0.533 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(C(=O)O)n1 1594643999 KRCSEAIEKNQQSN-SFYZADRCSA-N 293.279 -0.034 50 20 CBGD COCCN(C)NC(=O)c1cccn(CC(=O)O)c1=O 1604584304 NUMXGCVAXJBLCL-UHFFFAOYSA-N 283.284 -0.844 50 20 CBGD COc1cc(NC(=O)C(=O)NNC(=O)C(=O)O)ccc1F 1607173002 DCQUOORUYGXLHA-UHFFFAOYSA-N 299.214 -0.995 50 20 CBGD O=C(O)CCCNC(=S)NNC(=O)c1cn[nH]c1 1608714865 CSLAHWRKPBQYLR-UHFFFAOYSA-N 271.302 -0.617 50 20 CBGD Cc1cc(C=NNC(=O)C(N)=O)cc(C)c1OCC(=O)O 1610458292 XSOXJXPYZJHLRX-UHFFFAOYSA-N 293.279 -0.298 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cc(C)c(C(=O)O)s1 48961943 WMFVPUMATCFKLE-UHFFFAOYSA-N 293.326 -0.123 50 20 CBGD CCN1CCO[C@@H](C(=O)NNC(=O)c2cc(C)n[nH]2)C1 153894274 INYHIYWOMVCSLF-SNVBAGLBSA-N 281.316 -0.800 50 20 CBGD O=C1C[C@@H](C(=O)NNC(=O)c2ccccc2)CCN1 155422229 RENCAZZYSMVDPR-JTQLQIEISA-N 261.281 -0.026 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCOCC(F)F)cn1 191896181 JBSWIHQOWGXBMF-UHFFFAOYSA-N 276.243 -0.147 50 20 CBGD CCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)NC 263875019 JUKIQODCQZVFFL-SSDOTTSWSA-N 274.346 -0.352 50 20 CBGD COc1ccnc(NNC(=O)N[C@H]2CCN(C)C2=O)n1 265866918 YCOCLBBEOPZRRW-ZETCQYMHSA-N 280.288 -0.658 50 20 CBGD COC[C@@H](CNC(=O)NNc1cccnn1)OC 273052460 XNFRKZLLYGHBSS-MRVPVSSYSA-N 255.278 -0.236 50 20 CBGD C[C@@H](C(=O)NN(C)C(N)=O)N(C)CC(F)(F)F 281303355 TZKSCDGSFIDLLQ-YFKPBYRVSA-N 256.228 -0.089 50 20 CBGD Cc1ccnc(NNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)c1 287712266 KXBBXBNMLCHHSS-BDAKNGLRSA-N 264.285 -0.134 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1cnsn1 295387956 LFEJKUCUJBFHGE-ZETCQYMHSA-N 256.287 -0.132 50 20 CBGD CSSCCNC(=O)NC[C@@H]1CC(C(N)=O)=NO1 297878961 GRINLPYOJGHXOD-LURJTMIESA-N 292.386 -0.073 50 20 CBGD CC(C)NC(=O)NNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 299689355 NAFZBNWTXQKGGJ-UHFFFAOYSA-N 297.271 -0.505 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@H]2CCOC[C@H]2C1 585004768 MTEHZEIFWAMKRE-VXGBXAGGSA-N 275.113 -0.525 50 20 CBGD OB(O)c1ccccc1CNCc1nnc2n1CCC2 585017873 MRXHEVKNQMCYGE-UHFFFAOYSA-N 272.117 -0.806 50 20 CBGD OC[C@H](CC1CCC1)NCc1ccc(B(O)O)o1 585043373 NWOHEHKMWWKBBP-JTQLQIEISA-N 253.107 -0.400 50 20 CBGD O=S(=O)(Cc1ccc(F)c(Cl)c1)NCB(O)O 585055735 IMFYRQLPSQYPMU-UHFFFAOYSA-N 281.501 -0.090 50 20 CBGD N#Cc1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)c(F)c1 585059011 XBFDFAYQXPCKSN-VIFPVBQESA-N 298.104 -0.065 50 20 CBGD CN(CC(=O)NNC(=O)NC1CC1)C(=O)C1CC1 733138779 GPAOPHGBVGOMER-UHFFFAOYSA-N 254.290 -0.652 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H](C)CS(=O)(=O)CC 733660852 XQONGNSIQQQOTM-MRVPVSSYSA-N 295.361 -0.824 50 20 CBGD O=C(C[C@@H]1CCCCO1)NNC(=O)C(=O)N1CCCC1 755267640 IRNDTMXPQLWOSN-JTQLQIEISA-N 283.328 -0.285 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NCc1nnnn1CC1CC1 770403344 CTARRAHHHVYRJF-UHFFFAOYSA-N 295.347 -0.040 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cc(OC)ccc1O 775673703 UKYIDUQBPQYVIJ-UHFFFAOYSA-N 275.286 -0.477 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H](O)Cc1ccccc1 793918796 DQQLHGPOYITYDY-JTQLQIEISA-N 266.297 -0.492 50 20 CBGD COC(=O)c1ccc(NC(=O)NNC(=O)CO)cc1OC 797672809 FNELPIROHRHBSD-UHFFFAOYSA-N 297.267 -0.373 50 20 CBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)c1ccccc1 816816910 MCTNBYPXLZUQSK-ZJUUUORDSA-N 261.281 -0.041 50 20 CBGD CS(=O)(=O)N1CCC[C@H]1C(=O)NNC(=O)CC1CC1 819126867 XFHPWLBCOOBSDN-VIFPVBQESA-N 289.357 -0.642 50 20 CBGD COC(=O)c1cccc(C(=O)NN(C)C[C@H](C)O)n1 824207216 BPWXGAASUDYICI-QMMMGPOBSA-N 267.285 -0.174 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NOC[C@H]1CCOC1 826598078 NKQRQQVTSQDFCS-GUBZILKMSA-N 287.316 -0.290 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)c1cccc(F)n1 826693813 CWEOFIUVRYHQOP-MRVPVSSYSA-N 280.259 -0.398 50 20 CBGD CO[C@@H]1COC[C@H]1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C 827259448 JAOLEWPYPKEEOL-AXTSPUMRSA-N 287.316 -0.844 50 20 CBGD O=CN1CCC[C@@H]1C(=O)NNc1nc2ccccn2n1 834352232 UZSYIUZFDGWMNG-SECBINFHSA-N 274.284 -0.207 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc2ncnn12 843659020 TWHFOINMOJNWMA-IUCAKERBSA-N 289.295 -0.085 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccc(CNC(N)=O)cc1 854927772 GRKFACCGKNGBIF-UHFFFAOYSA-N 295.368 -0.064 50 20 CBGD CC(=O)c1cn(CC(=O)NNC(=O)CC(F)(F)F)nn1 854997295 CTNGSRQTSILISZ-UHFFFAOYSA-N 293.205 -0.420 50 20 CBGD O=C1C[C@@H](C(=O)NNc2ncc(Br)cn2)N1 855054007 YFVBQSNBAJAALM-YFKPBYRVSA-N 286.089 -0.429 50 20 CBGD O=C(CCOC[C@@H]1CCCO1)NNC(=O)c1cc[nH]n1 855359374 PCETXYKATVSJST-VIFPVBQESA-N 282.300 -0.244 50 20 CBGD C[C@@]1(CNC(=O)CNC(=O)CN)C[C@@H]1Br 857007999 ZQQGXRBBVOCANN-RCOVLWMOSA-N 278.150 -0.649 50 20 CBGD CO[C@H](C)[C@@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858468269 FTCJPTUFMDCYRA-BWZBUEFSSA-N 272.305 -0.981 50 20 CBGD CCO[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)C1CC1 859252367 LVKGJBGVAMBDTD-NSHDSACASA-N 266.301 -0.085 50 20 CBGD CCOC[C@@H]1CN([C@@H](C)C(=O)NNC(=O)CC)CCO1 859772906 VAOXBEOAUIABJC-QWRGUYRKSA-N 287.360 -0.330 50 20 CBGD COCCN(C)NC(=O)[C@H](CCSC)NC(N)=O 861656939 GMLVKSVRWVWNIF-QMMMGPOBSA-N 278.378 -0.614 50 20 CBGD CO[C@@H](CS(=O)(=O)NNC(=O)c1cn[nH]c1)C(C)C 863414446 WQWXFUTZLJQMDX-VIFPVBQESA-N 290.345 -0.355 50 20 CBGD CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)CS(C)(=O)=O 863465997 KNPBMVHUTKKHSN-VXNVDRBHSA-N 280.346 -0.761 50 20 CBGD CC(=O)NNS(=O)(=O)c1cnn(C)c1Br 872331852 YLJBPWRSRBBCEA-UHFFFAOYSA-N 297.134 -0.488 50 20 CBGD O=C(CO)NNC(=O)c1c(C(F)F)nc2n1CCCC2 879395658 SKFHEKYVMWEDIK-UHFFFAOYSA-N 288.254 -0.090 50 20 CBGD COC[C@H](C)CC(=O)NNC(=O)c1cccnn1 882059414 WNKPGWUOSWHWEK-MRVPVSSYSA-N 252.274 -0.090 50 20 CBGD Cc1ccn(C[C@@](C)(O)C(=O)NN(C)C[C@H](C)O)c(=O)c1 910151113 ZVWVNOBJRMLCRR-SMDDNHRTSA-N 297.355 -0.748 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H](C)S(C)(=O)=O 1115852361 KLJOQUUHJQERHZ-ZCFIWIBFSA-N 267.376 -0.677 50 20 CBGD CC(C)C(=O)NNC(=O)CCn1cnccc1=O 1117697344 ASMLKJIAVXWJSA-UHFFFAOYSA-N 252.274 -0.563 50 20 CBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cnn(CCF)c1 1118871851 NYWAZOSWGXHNGX-QMMMGPOBSA-N 299.306 -0.015 50 20 CBGD CCCN1CCCC[C@@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1118942513 FUMFUXZUEWDMJT-GHMZBOCLSA-N 296.371 -0.323 50 20 CBGD Cc1ncc(C(=O)NNC(=O)NCC2CC2)c(N)n1 1261675145 SVKBMRFHOQXNOT-UHFFFAOYSA-N 264.289 -0.279 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCCN1CCCCC1 1318878437 YTCRPSUMGLDJLT-UHFFFAOYSA-N 286.332 -0.634 50 20 CBGD Cn1cc(N2CC[C@@H](NC(=O)CCl)C2=O)cn1 1319675070 UUMWJXNBSNZPFK-MRVPVSSYSA-N 256.693 -0.120 50 20 CBGD Cc1cc(CC(=O)NNC(=O)c2cnn(C)c2)no1 1321909663 KIODUDPHDJFFBK-UHFFFAOYSA-N 263.257 -0.280 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cncnc1C 1324108238 YLEXSKIWJUQTPC-QMMMGPOBSA-N 280.284 -0.112 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1nc2c(s1)CCC2 1326721053 RCDWXNXRZQNNNK-UHFFFAOYSA-N 268.298 -0.262 50 20 CBGD Cn1cc(CCC(=O)NNC(=O)Cc2cc[nH]n2)cn1 1326814096 YQBXDBFLBZGETN-UHFFFAOYSA-N 276.300 -0.534 50 20 CBGD Cn1ccnc1[C@@](O)(CC(=O)NN)C(F)(F)F 1329237194 SWHXEHHCTFCJNW-ZETCQYMHSA-N 252.196 -0.450 50 20 CBGD COCCOCC(=O)NNC(=S)NCc1ccon1 1329331167 IALHNOCAUIHZPC-UHFFFAOYSA-N 288.329 -0.667 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)c1cnns1 1330694009 GIVKWPJBUIUQFB-UHFFFAOYSA-N 263.282 -0.063 50 20 CBGD COCC1(C(=O)NNC(=O)C2CCOCC2)CC1 1331291465 YBDNNOQHJQNGIQ-UHFFFAOYSA-N 256.302 -0.013 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CCC(F)(F)C2)N1 1331805955 LNUHGHRBTKWSET-NKWVEPMBSA-N 275.255 -0.152 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C1CCCC1)c1nnnn1C 1343077728 XZFFYDYSHAMTER-SSDOTTSWSA-N 281.320 -0.208 50 20 CBGD CC(C)C[C@H](NC(=O)NN)C(=O)N1CCOCC1 1575645376 AOAWVBJQOJDNAU-VIFPVBQESA-N 258.322 -0.567 50 20 CBGD Nc1cccc(C(=O)NNC(=O)CN2CCCC2=O)n1 1580455317 ISMDORKVPLBDMI-UHFFFAOYSA-N 277.284 -0.953 50 20 CBGD OB(O)c1cccc(CNC[C@H]2CCCNCC2)c1 1580876216 GHNZFHSOOXHDHM-LBPRGKRZSA-N 262.162 -0.154 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)O)c1 1606494754 KZXMXPPMRCTLCE-UHFFFAOYSA-N 281.224 -0.290 50 20 CBGD O=C(NC[C@H](F)C(=O)O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1608457662 OKSWCZNBELOVFN-OOJXKGFFSA-N 289.263 -0.693 50 20 CBGD NC(=O)NCCCCC(=O)NNC(=O)NCC1CC1 49166805 VDJGYBMPPOIBTK-UHFFFAOYSA-N 271.321 -0.435 50 20 CBGD CC(C)NC(=O)NNC(=O)Cn1ccc([N+](=O)[O-])n1 49467796 ROJVYQRQAHHPBU-UHFFFAOYSA-N 270.249 -0.470 50 20 CBGD CCOCC(=O)NNC(=O)Cn1nc(C)cc1C 123653717 OBYBSGZWTCBBGL-UHFFFAOYSA-N 254.290 -0.316 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CCN(CC2CC2)C1 160646250 YTAPKXATZWCTFX-NSHDSACASA-N 284.360 -0.162 50 20 CBGD C[C@H](O)c1cn(CC(=O)NNc2ccccn2)nn1 163417845 SLARCRKKDPRZTP-QMMMGPOBSA-N 262.273 -0.130 50 20 CBGD O=C(CO)NNC(=O)c1cn(Cc2cccc(F)c2)nn1 180966794 QBNRKYXLIJSWAT-UHFFFAOYSA-N 293.258 -0.781 50 20 CBGD CCCNC(=O)CCC(=O)NNC(=O)NC1CC1 264647557 FURJWTKJNBAUHX-UHFFFAOYSA-N 256.306 -0.214 50 20 CBGD COc1ccnc(NNC(=O)N[C@@H]2CCN(C)C2=O)n1 265866917 YCOCLBBEOPZRRW-SSDOTTSWSA-N 280.288 -0.658 50 20 CBGD COC(=O)CSCCC(=O)NNC(=O)C(C)(C)O 276231921 JUMRWAOHAJDBDY-UHFFFAOYSA-N 278.330 -0.799 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc2oc(=O)[nH]c2c1 293036856 VTZLYBXQWLVAGZ-UHFFFAOYSA-N 279.252 -0.347 50 20 CBGD COC(=O)NNC(=O)c1ccc2c(c1)C(=O)NC2=O 495409465 YVPXUSXZBNWGLR-UHFFFAOYSA-N 263.209 -0.429 50 20 CBGD COC1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584926659 WVYHDZIKOYHAPS-UHFFFAOYSA-N 263.102 -0.383 50 20 CBGD C[C@@H]1CN(C)CC[C@@H]1NC(=O)c1ccc(B(O)O)cc1 584937140 LTZXJBWKHAMOFI-MFKMUULPSA-N 276.145 -0.564 50 20 CBGD C[C@@H](CCN(C)C)NCc1ccc(B(O)O)cc1 585021090 PCZZVRSUAGPEIY-NSHDSACASA-N 250.151 -0.204 50 20 CBGD CC1(C)CN(CCNCc2ccc(B(O)O)o2)CCO1 585021549 BGMOWRYSXGYSMH-UHFFFAOYSA-N 282.149 -0.840 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCc3n[nH]cc3C2)o1 585030777 ZSSRNQYSLYBPST-VIFPVBQESA-N 261.090 -0.670 50 20 CBGD OCC1(CNCc2ccc(B(O)O)cc2F)CCC1 585034254 GWOZYQZSMOYTMS-UHFFFAOYSA-N 267.109 -0.242 50 20 CBGD Cc1n[nH]c(C)c1C=NNC(=O)[C@H](C)NS(C)(=O)=O 728435307 XMYMHMGDOCGBOY-QMMMGPOBSA-N 287.345 -0.586 50 20 CBGD NNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 731450448 UUOPOYWXQHCMHL-UHFFFAOYSA-N 268.298 -0.895 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 746005946 DYDMBNNZQDUSCF-SSDOTTSWSA-N 254.290 -0.700 50 20 CBGD CC1(OCC(=O)NNC(=O)C(=O)N2CCCC2)CCC1 746146256 FNATUFQYOIEGOM-UHFFFAOYSA-N 283.328 -0.285 50 20 CBGD NC(=O)C(=O)NN=C(CO)c1ccc(F)cc1F 749604227 RKBLAHPNQYABBQ-UHFFFAOYSA-N 257.196 -0.737 50 20 CBGD CCC(C)(C)CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758031628 XBXXQOADEADMTI-QMMMGPOBSA-N 293.389 -0.102 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1C[C@H]1C1CC1 758034367 FZBMXRJASGWXDK-CNUIFLNQSA-N 289.357 -0.882 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@@H]2CCNC(=O)C2)nc1 759724803 HQEATBFXLVHAHO-MRVPVSSYSA-N 292.295 -0.163 50 20 CBGD CN(CC(=O)NNC(=O)NC1CC1)[C@@H]1CCSC1 766825097 STSZJJNTAVKUJY-SECBINFHSA-N 272.374 -0.084 50 20 CBGD CC(C)(C(N)=O)C(=O)NNC(=O)COc1ccc(F)cc1 767429505 YNEBKPZQHFQDMO-UHFFFAOYSA-N 297.286 -0.137 50 20 CBGD CN(NC(=O)CCCN1C(=O)NC(C)(C)C1=O)C(N)=O 770438182 LMQINDTUKYEWHH-UHFFFAOYSA-N 285.304 -0.861 50 20 CBGD COC(=O)c1ccccc1NNC(=O)Cn1cnnn1 777828861 UKVCYMBRKXTIEV-UHFFFAOYSA-N 276.256 -0.397 50 20 CBGD CCNC(=O)N(C)NC(=O)C1(C(=O)NC2CC2)CC1 780708475 GUOBSCMJJKVGDG-UHFFFAOYSA-N 268.317 -0.262 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)c2cnn(C)c2)on1 781426640 DYFBZRCIOHDCMM-UHFFFAOYSA-N 293.239 -0.731 50 20 CBGD CN1CC[C@@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)C1 792849539 JNUNPWQADGXTEJ-MNOVXSKESA-N 289.401 -0.570 50 20 CBGD C=C[C@@H](NNC(=O)[C@H](C)OCCOC)C(=O)OC 799978499 IAPLOBCJZXTDAD-DTWKUNHWSA-N 260.290 -0.614 50 20 CBGD COCCO[C@@H](C)C(=O)NN=Cc1cn(C)nc1O 814223082 ABPWZONIHMDYFT-QMMMGPOBSA-N 270.289 -0.373 50 20 CBGD COc1ccccc1C(=O)NCC(=O)NNc1nc[nH]n1 816633446 BTVMMSJVZKNWRP-UHFFFAOYSA-N 290.283 -0.314 50 20 CBGD CCN(CCO)NC(=O)/C=C/c1cnc(OC)nc1 823873935 JFDHKXBJSUZLLO-SNAWJCMRSA-N 266.301 -0.156 50 20 CBGD CC(C)CS(=O)(=O)CCC(=O)NN(C)[C@H](C)CO 823971769 ZEGRJIIAKADPHR-SNVBAGLBSA-N 280.390 -0.209 50 20 CBGD COC(=O)NCCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843651813 PCPPNWXGWXMMMA-JGVFFNPUSA-N 273.289 -0.695 50 20 CBGD O=C(NNc1nc2ccccc2[nH]1)[C@@H]1CCS(=O)(=O)N1 846636627 NIJSBOFBFXNUSR-VIFPVBQESA-N 295.324 -0.302 50 20 CBGD COC(=O)N(C)NS(=O)(=O)N1CCC(OC)CC1 849391720 GIHDTZSSALGIQY-UHFFFAOYSA-N 281.334 -0.455 50 20 CBGD C[C@H](C#N)N(CC(=O)NNC(=O)C1CC1)C1CC1 852481521 NAKYPZNOMICDQL-MRVPVSSYSA-N 250.302 -0.080 50 20 CBGD O=C(NNC(=O)C1(CO)CCOCC1)c1cccc(F)n1 856427802 GAJJVMCIDFJVIN-UHFFFAOYSA-N 297.286 -0.229 50 20 CBGD COC(C)(C)CN(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858696789 OALLUGINTRTBQZ-QMMMGPOBSA-N 286.332 -0.637 50 20 CBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1cn(C)nc1C 863145304 MBVCVJYJYBGCPW-SNVBAGLBSA-N 263.301 -0.153 50 20 CBGD CSC[C@H](C)C(=O)NNC(=O)CS(C)(=O)=O 863461867 XCFZNBIAVJIZGI-LURJTMIESA-N 268.360 -0.823 50 20 CBGD CCc1c(C(=O)NNC(=O)CS(C)(=O)=O)ccn1C 863465922 ILUXLEGRLSMMSN-UHFFFAOYSA-N 287.341 -0.607 50 20 CBGD COC(=O)[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@H]1C 863877148 UGTIXHREVVYVFP-BXKDBHETSA-N 291.112 -0.753 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@H](CCO)C1 866805942 CIDLHFUKNVMIOU-LLVKDONJSA-N 277.129 -0.399 50 20 CBGD CC(C)OCCNC(=O)c1cccc(B(O)O)c1 867390362 QIQLNTSUGCYEPH-UHFFFAOYSA-N 251.091 -0.479 50 20 CBGD O=C(/C=C/CN1CCOCC1)NNC(=O)CC(F)(F)F 869019292 ACRCSROGVDJOJV-OWOJBTEDSA-N 295.261 -0.025 50 20 CBGD O=C(NCC[C@@H](O)C1CC1)c1cc(B(O)O)ccc1F 890713274 GMKIFJMQFKQZCV-GFCCVEGCSA-N 281.092 -0.604 50 20 CBGD CC(=O)N1CC[C@@](C)(C(=O)NN(C)C[C@H](C)O)C1 910161751 ANJHVRZFRPIXRD-JOYOIKCWSA-N 257.334 -0.411 50 20 CBGD COC(=O)CSCCC(=O)NN(C)C[C@@H](C)O 910166365 VRPIROSEPDATFC-MRVPVSSYSA-N 264.347 -0.374 50 20 CBGD COCCn1cc(C(=O)NN(C)C[C@@H](C)O)ccc1=O 910169359 BVEIGBMDQYZOPD-SNVBAGLBSA-N 283.328 -0.548 50 20 CBGD COCC1CN(C(=O)c2cc(B(O)O)ccc2F)C1 911967701 ZGZROSJLIPACJJ-UHFFFAOYSA-N 267.065 -0.776 50 20 CBGD O=C(NCC(=O)N1CC[C@H](B(O)O)C1)c1cccs1 1118915102 FMCSPPARMJRNBL-QMMMGPOBSA-N 282.130 -0.447 50 20 CBGD Cc1nn(C)c(C)c1C(=O)NNC(=O)C(=O)N1CCCC1 1318095060 LXGWOCIFJZOFPG-UHFFFAOYSA-N 293.327 -0.580 50 20 CBGD CC(C)NC(=O)CNC(=S)NNC(=O)c1ccncc1 1318378698 LKRHSAMIINVAFZ-UHFFFAOYSA-N 295.368 -0.285 50 20 CBGD NC(=O)C(=O)NN=Cc1ccccc1OCC(=O)O 1318440909 KIMWLMNBWKOTAW-UHFFFAOYSA-N 265.225 -0.915 50 20 CBGD CNC(=O)NNC(=O)c1cn(Cc2cccs2)nn1 1318795647 PMKSDZPSXQZTLC-UHFFFAOYSA-N 280.313 -0.038 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccn(-c2ccncc2)n1 1320809289 USXOXTDGBCWRKE-UHFFFAOYSA-N 289.295 -0.201 50 20 CBGD C[C@H](C(=O)NNC(=O)Cc1cccnc1)n1cncn1 1323247979 FRKSNKXBZMKRAU-SECBINFHSA-N 274.284 -0.376 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CC=CCC1 1323431422 FLUFXJHYMXPCSA-QMMMGPOBSA-N 255.274 -0.154 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1cc(C2CC2)on1 1335368596 UJGVFXRQJYXYAR-UHFFFAOYSA-N 287.297 -0.642 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1cnccc1C 1337974693 NYANSHHQNKHKTF-UHFFFAOYSA-N 280.284 -0.488 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CC12CCOCC2 1339947312 PPJAIZOTPXFLJS-VIFPVBQESA-N 283.328 -0.525 50 20 CBGD NC(=O)CSCC(=O)NNc1nc2ccccn2n1 1343568704 PABBSASRRINQAO-UHFFFAOYSA-N 280.313 -0.609 50 20 CBGD Cc1nc(C(=O)N2CC=C(C#N)CC2)nn1-c1nc[nH]n1 1362599314 HUCDRBOQVVXOEV-UHFFFAOYSA-N 284.283 -0.010 50 20 CBGD CCN(CC(OC)OC)C(=O)c1cc(B(O)O)ccc1F 1528855603 WZTCNPCAMAZXLK-UHFFFAOYSA-N 299.107 -0.414 50 20 CBGD O=C(NN=Cc1cnon1)[C@@H]1CN2CCC[C@H]2CO1 1549317636 YERRMVAUABSCQJ-UWVGGRQHSA-N 265.273 -0.617 50 20 CBGD N[C@@H]1CCC[C@@H]1C(=O)NNC(=O)N=c1cc[nH]cc1 1580376312 NZXTYVOMWLRBME-VHSXEESVSA-N 263.301 -0.216 50 20 CBGD O=C(CC[C@@H]1CCNC1)NNC(=O)c1cccnn1 1580527976 KNZCZBFETGORPX-SECBINFHSA-N 263.301 -0.373 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@]1(C(=O)O)CC1(C)C 1593994804 SFIBAFYXQQEWDY-GFCCVEGCSA-N 287.316 -0.146 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@]1(C(=O)O)CC1(C)C 1594018630 WQXMKZFUQVCSMS-GFCCVEGCSA-N 288.300 -0.702 50 20 CBGD N#Cc1ccc(NNC(=O)[C@@H]2CC(C(=O)O)=NO2)nc1 1605611919 AEUAGHTUVVGVNF-QMMMGPOBSA-N 275.224 -0.374 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccc(C(=O)O)o2)cn1 1608099098 ZUZMKXZMJPYQFE-UHFFFAOYSA-N 278.224 -0.214 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCO1)N[C@H]1C[C@H](C(=O)O)C1 1608477878 OUHYOEOQGXEBOW-CIUDSAMLSA-N 285.300 -0.251 50 20 CBGD O=C(NNC(=O)C(F)F)c1ccc(-c2nn[nH]n2)cc1 1609558123 QGLUAJTZJWUUCO-UHFFFAOYSA-N 282.210 -0.107 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)NCCS(C)(=O)=O 49517964 DWCRYQCPNFSUQK-UHFFFAOYSA-N 299.352 -0.016 50 20 CBGD CC(=O)NCC(=O)NNC(=O)Cc1ccccc1F 108974677 IZQUJBHSXWCCKK-UHFFFAOYSA-N 267.260 -0.348 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1cccc(F)n1 129035257 ORMLWKMXNSNNGJ-UHFFFAOYSA-N 255.253 -0.065 50 20 CBGD CNC(=O)C(C)(C)CNC(=O)NNc1cccnn1 178930455 RUDRQUFALNLUMK-UHFFFAOYSA-N 266.305 -0.125 50 20 CBGD CN1C[C@@H](NC(=O)NNC(=O)C(C)(C)C)CC1=O 267608857 JXYRMQTZYGGPOA-ZETCQYMHSA-N 256.306 -0.406 50 20 CBGD CCNC(=O)N(C)NC(=O)CCSCC(=O)OC 273038516 UZRALLLFFFELSJ-UHFFFAOYSA-N 277.346 -0.025 50 20 CBGD CCS(=O)(=O)NCC(=O)NNc1ncccc1C 276761528 RIOUHLUFVPQHDF-UHFFFAOYSA-N 272.330 -0.228 50 20 CBGD COc1cc(C)nc(NNC(=O)C[C@H]2COCCN2)n1 285802976 QPMDGPURCAUMOO-VIFPVBQESA-N 281.316 -0.385 50 20 CBGD CC(C)CC(=O)NNC(=O)Cn1nc2ccccn2c1=O 298203249 JZJSZPWASCAXSO-UHFFFAOYSA-N 291.311 -0.311 50 20 CBGD CC(C)(C)OC(=O)NC1(C(=O)NNC(=O)CO)CCC1 496896371 XWQOKWDALAMXOE-UHFFFAOYSA-N 287.316 -0.427 50 20 CBGD CCCCn1nnnc1COc1ccc(B(O)O)cc1 584909252 JCXXZAZVXNMVOZ-UHFFFAOYSA-N 276.105 -0.268 50 20 CBGD CC[C@H]1C[C@@H](C(=O)Nc2cccc(B(O)O)c2)CC(=O)N1 584911945 BBPUHPDWJJCOHQ-KOLCDFICSA-N 290.128 -0.390 50 20 CBGD C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(B(O)O)cc1 584951406 QAIUKMZMAWHUDB-RISCZKNCSA-N 290.172 -0.221 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)c2nccn21 584996436 HNVGRUBBSRJAKU-BXKDBHETSA-N 285.112 -0.001 50 20 CBGD Cc1noc(CN(C)C(=O)c2cccc(B(O)O)c2)n1 585006813 ASLMHWVHOHNDKQ-UHFFFAOYSA-N 275.073 -0.670 50 20 CBGD OB(O)c1ccc(CNCC2(O)CCOCC2)c(F)c1 585037292 XYICMAOSIAXQNF-UHFFFAOYSA-N 283.108 -0.863 50 20 CBGD CC[C@H](C)[C@H](NCc1ccccc1B(O)O)C(=O)N(C)C 585038654 JERMGBZMHIKEHS-FZMZJTMJSA-N 292.188 -0.041 50 20 CBGD CNC(=O)C[C@@H](C)NCc1ccc(B(O)O)cc1F 585045002 YTZGWUGOFVESAS-MRVPVSSYSA-N 268.097 -0.880 50 20 CBGD CC(=O)N(C)Cc1nc(-c2cccc(B(O)O)c2)no1 585051494 IEJVNTJLNPRTKZ-UHFFFAOYSA-N 275.073 -0.605 50 20 CBGD CCNC(=O)NNS(=O)(=O)C[C@@H]1CCCO1 735647237 XCKRCQZIMJVVFA-ZETCQYMHSA-N 251.308 -0.681 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](C(=O)O)C1 736848931 YYZYPGWDHQJRDQ-JGVFFNPUSA-N 257.290 -0.661 50 20 CBGD C[C@@H](CN1CCN(C)CC1)NC(=O)NNc1cccnn1 737049861 PCUGMUFECZPTQR-NSHDSACASA-N 293.375 -0.261 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H](C)CS(C)(=O)=O 746839137 QSJIPJIPVLBMML-MRVPVSSYSA-N 279.362 -0.202 50 20 CBGD CN(C(=O)C1CC1)c1ccccc1C(=O)NNC(=O)CO 753443147 SOONEIKDHDVWHY-UHFFFAOYSA-N 291.307 -0.187 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=O)c1ccc(C#N)cc1 754993743 IGPCBDHOPQPBCP-CYBMUJFWSA-N 277.280 -0.283 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cncs1 755283894 DYDQLCBAYAAGDM-UHFFFAOYSA-N 251.271 -0.130 50 20 CBGD COc1ncccc1NC(=O)C(=O)NNC(=O)C1CCC1 764339385 SGLBEHBPAGJYQU-UHFFFAOYSA-N 292.295 -0.024 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2c(O)nnc(C)c2C)n[nH]1 768276769 HEYYSUFGNGIRMO-UHFFFAOYSA-N 290.283 -0.095 50 20 CBGD CC(C)[C@@](C)(O)C(=O)NNC(=O)C(=O)Nc1ccccn1 771404637 BTOCUBWSBBWBQX-CYBMUJFWSA-N 294.311 -0.426 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)C[C@@H](O)C(F)(F)F 774771215 LYZNAUBGWDZXDK-RNFRBKRXSA-N 285.266 -0.213 50 20 CBGD COc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)nn1 788165859 HNRTVXYURICSNQ-UHFFFAOYSA-N 294.315 -0.913 50 20 CBGD C=CCNC(=S)NNC(=O)COC1CCOCC1 798306419 GPOUVEGHKKYIJI-UHFFFAOYSA-N 273.358 -0.137 50 20 CBGD CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NN(C)C(N)=O 816958286 LYMXTELDCKBVQU-MRVPVSSYSA-N 292.361 -0.866 50 20 CBGD CN(NC(=O)c1ccnc2c(C(N)=O)cnn12)C1CC1 819650511 PEPQRQOCWKALGP-UHFFFAOYSA-N 274.284 -0.433 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 823976987 LZYHPQONWZYPLV-SFYZADRCSA-N 297.277 -0.259 50 20 CBGD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NN 825644870 JAPBDDBCRFWOBD-LURJTMIESA-N 256.266 -0.183 50 20 CBGD CN(NC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C(N)=O 826004240 PGCDMJFKNOUHNG-UHFFFAOYSA-N 276.260 -0.086 50 20 CBGD COc1cc(C)nc(NNC(=O)N[C@H]2CCNC2)n1 841941787 QFNZJCSZBQPIJE-QMMMGPOBSA-N 266.305 -0.218 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](C)N1C(=O)CCC1=O 843641065 BBSZXFRXGNBUPO-XHNCKOQMSA-N 297.311 -0.904 50 20 CBGD CC(C)[C@@](C)(O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843970903 MVIFYKTVKGPTLE-YGOYTEALSA-N 258.318 -0.034 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H]1CCCS(=O)(=O)C1 845301992 JTOVSYUXBHFQFK-MRVPVSSYSA-N 277.346 -0.448 50 20 CBGD CC(C)[C@](C)(O)C(=O)NNC(=O)N1CCN(C)CC1 854378951 JEQDPOOBDWIKEQ-LBPRGKRZSA-N 272.349 -0.618 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]21 857109555 MLNIMPFRBPUTON-MXWKQRLJSA-N 296.371 -0.610 50 20 CBGD CCc1cc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)nn1C 861181914 GEVSGHDDGBOVGK-QMMMGPOBSA-N 294.315 -0.586 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)[C@@H]1CCOC(=O)N1 861515028 MSLLRHXASMQIAN-BYPYZUCNSA-N 284.194 -0.622 50 20 CBGD C[C@H](NNC(=O)c1nc(N)nc(N(C)C)n1)C(F)(F)F 862320602 SUJKZUXBZTVOGF-BYPYZUCNSA-N 293.253 -0.295 50 20 CBGD CN(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 862452233 UUMNXDRBUFVZAR-VIFPVBQESA-N 291.311 -0.813 50 20 CBGD CN(C)C1(C(=O)NNC(=O)c2cn[nH]c2)CCC1 862470320 MRSPEUGWNRGPLP-UHFFFAOYSA-N 251.290 -0.345 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cn1 863458975 JWQJGDUJQRQVAS-UHFFFAOYSA-N 271.298 -0.804 50 20 CBGD COC(=O)CC(C)(C)NC(=O)c1cccc(B(O)O)c1 863880102 NYJFGSGIRLNKHE-UHFFFAOYSA-N 279.101 -0.562 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@]1(CC)CCNC1=O 867279031 PYUXEDLTTHDIRU-LLVKDONJSA-N 256.306 -0.405 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)N2CCCNC(=O)C2)cn1 874858510 AKKKVKONEPOVJP-VZUCSPMQSA-N 273.296 -0.324 50 20 CBGD COC[C@H]1CCCN1C(=O)NNC(=O)c1cccnn1 883853859 SFVXTQJRYDHIMS-SECBINFHSA-N 279.300 -0.058 50 20 CBGD CNC(=S)N(C)NC(=O)Cn1ccc(C(=O)OC)n1 909995200 AAFLNGNUNYALMF-UHFFFAOYSA-N 285.329 -0.863 50 20 CBGD CC(C)[C@H](C(=O)NNC(=O)CN1CCCC1=O)N(C)C 913731055 SGGGNMFXWHDXGJ-GFCCVEGCSA-N 284.360 -0.658 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)C[C@H]1CC(=O)NC1=O 929430205 YFZXHLUOENIKFL-ZCFIWIBFSA-N 286.357 -0.667 50 20 CBGD Cc1cc(OCC(=O)NNc2nccn(C)c2=O)no1 1116193381 WNNYHGMECNGEKS-UHFFFAOYSA-N 279.256 -0.401 50 20 CBGD NC(=O)c1ccc(CNC(=O)NNc2cccnn2)o1 1116218996 WDVDMAHRLKJXDF-UHFFFAOYSA-N 276.256 -0.005 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CCCN1C(N)=O 1116896975 WRQNBPWGCWMMFA-ZETCQYMHSA-N 271.346 -0.789 50 20 CBGD Cc1nc(CCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cs1 1118909799 MNRZHWNAYDPDJS-VIFPVBQESA-N 296.352 -0.190 50 20 CBGD CN1CCC[C@H](CNC(=O)NNC(=O)c2cnn(C)c2)C1 1252749497 ZVRNQTSVQOLQQT-SNVBAGLBSA-N 294.359 -0.294 50 20 CBGD CC(=O)NNS(=O)(=O)c1cnc(NC(C)=O)s1 1261129073 IVYGZNHQZKYVDG-UHFFFAOYSA-N 278.315 -0.569 50 20 CBGD CC(C)NC(=O)NNC(=O)C[C@@H]1CCCS(=O)(=O)C1 1261237769 DOUFNXUBWYXOQP-VIFPVBQESA-N 291.373 -0.060 50 20 CBGD Cc1ncc(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)[nH]1 1261480237 KFHOIBSCIZLOMB-HTRCEHHLSA-N 288.329 -0.547 50 20 CBGD O=C(NN=Cc1cnc2n1CCOC2)c1cnccn1 1262167611 TTYDEWZLHNMDCT-UHFFFAOYSA-N 272.268 -0.033 50 20 CBGD Cc1cc(C)nc(NNC(=O)CC[C@H]2NC(=O)NC2=O)n1 1317777308 IJDMTNJUHRLQJN-MRVPVSSYSA-N 292.299 -0.475 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)C[C@H]1CCCOC1 1321047092 OSYXOPVLBVZBCC-SECBINFHSA-N 266.301 -0.084 50 20 CBGD CC(F)(F)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1324214715 XCQHMXAIDPIZKM-RXMQYKEDSA-N 285.272 -0.841 50 20 CBGD C[C@@]1(CCC(=O)NNC(=O)Cc2cc[nH]n2)CCC(=O)N1 1325374908 CWEAIOHVTXTOHL-ZDUSSCGKSA-N 293.327 -0.452 50 20 CBGD C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)[C@H]1CCC(=O)N1 1329645031 QKTGHCNHBGLOIW-XHNCKOQMSA-N 281.312 -0.582 50 20 CBGD CN(C)CCn1ccc(C(=O)NNC(=O)NC2CC2)n1 1332880188 YDCKCTKHFCIXPK-UHFFFAOYSA-N 280.332 -0.449 50 20 CBGD Cn1ncc(C(=O)NNC(=O)C(C)(C)O)c1C(F)(F)F 1343816175 PWENOIKHIZRILD-UHFFFAOYSA-N 294.233 -0.029 50 20 CBGD CCN(CCO)NC(=O)c1cc(=O)c(OC)c[nH]1 1347045256 ZCBUZJCIFZGHPJ-UHFFFAOYSA-N 255.274 -0.658 50 20 CBGD CNC(=O)NCCC(=O)NNC(=S)NC(C)C 1347600874 UKZLAWBNTZOPIH-UHFFFAOYSA-N 261.351 -0.791 50 20 CBGD C[C@H](C(=O)NNC(=O)c1cnn(C)c1)[C@H]1CCC(=O)N1 1351441342 GWQATDDGSDHXAW-IONNQARKSA-N 279.300 -0.904 50 20 CBGD CCn1cc(C(=O)NNC(=O)[C@H]2CCN2)c(C)n1 1578344272 NSYHMBYYIHRAIK-SECBINFHSA-N 251.290 -0.666 50 20 CBGD CC[C@H](CNC(=O)NNC(=O)C1CCOCC1)C(=O)O 1589538754 MGEYQFUDOFBYIB-MRVPVSSYSA-N 287.316 -0.146 50 20 CBGD Cc1cc(NNC(=O)[C@H]2CC[C@H]2C(=O)O)nc(N)n1 1594325179 FCOKLJUAQIXSRU-NKWVEPMBSA-N 265.273 -0.079 50 20 CBGD CCN(CCO)NC(=O)CC[C@@H]1C[C@H](C(=O)O)CO1 1596340205 BFIWKSLYCHOAHD-VHSXEESVSA-N 274.317 -0.398 50 20 CBGD O=C(O)CCCNC(=S)NNC(=O)[C@H]1CCCCO1 1601994133 ZMPBZOOFJVUWCI-MRVPVSSYSA-N 289.357 -0.084 50 20 CBGD CCNC(=O)NNC(=O)c1cccc(-n2cnnn2)c1 49165883 NAVXXGHALVTMQN-UHFFFAOYSA-N 275.272 -0.374 50 20 CBGD NC[C@@H]1CCN(CC(=O)NNC(=O)c2cccs2)C1 50248824 HROWCAURWQNILP-VIFPVBQESA-N 282.369 -0.210 50 20 CBGD O=C(NNC(=O)c1ccoc1)N[C@@H]1CCS(=O)(=O)C1 126049080 LZTSXGSADDADEN-MRVPVSSYSA-N 287.297 -0.589 50 20 CBGD COc1cc(C)nc(NNC(=O)C2CN(C(C)=O)C2)n1 276415012 BRHGZVGUDFYNBE-UHFFFAOYSA-N 279.300 -0.285 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCS(=O)(=O)N(C)C 292088895 XWTUNSLAQDFQFM-CMDGGOBGSA-N 275.330 -0.562 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)C(C)(C)NS(C)(=O)=O 491833931 IFXUWLJLAVQWPI-UHFFFAOYSA-N 295.361 -0.130 50 20 CBGD CN1CCC[C@@H]1CNC(=O)c1ccc(B(O)O)c(F)c1 584945431 HWEZMXMHGCDGLU-SNVBAGLBSA-N 280.108 -0.671 50 20 CBGD O=C(NC[C@H]1CCCC[C@H]1O)c1ccc(B(O)O)c(F)c1 584951760 SHUXOVKEOKGWSX-ZWNOBZJWSA-N 295.119 -0.214 50 20 CBGD C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(B(O)O)cc1 584957947 LAMPNHFLNXFSCO-IINYFYTJSA-N 288.156 -0.421 50 20 CBGD CS[C@H](C)CNC(=O)c1cccc(B(O)O)c1 584965894 UBCUKTYQMAPKKS-MRVPVSSYSA-N 253.132 -0.152 50 20 CBGD C[C@@H]1CCC[C@@]1(O)CNC(=O)c1ccc(B(O)O)cc1 584995476 UYPOMHLDJYQMIH-QMTHXVAHSA-N 277.129 -0.353 50 20 CBGD CCO[C@H]1C[C@@H](NC(=O)c2cc(B(O)O)ccc2F)C1 584997576 FZBCKKOGTSMXEK-AOOOYVTPSA-N 281.092 -0.197 50 20 CBGD CC(C)N1CC[C@H](NCc2ccccc2B(O)O)C1=O 585029776 ULJYNFHWELCVTN-ZDUSSCGKSA-N 276.145 -0.535 50 20 CBGD CC1CCC(O)(CNCc2ccc(B(O)O)o2)CC1 585050093 QPULOCLNXAWVLT-UHFFFAOYSA-N 267.134 -0.010 50 20 CBGD C[C@@H](O)CNc1cc(N2CC[C@H](B(O)O)C2)ncn1 585078972 QQJOYTWZNGCVDV-BDAKNGLRSA-N 266.110 -0.678 50 20 CBGD CN([C@@H]1COC[C@H]1O)S(=O)(=O)CCCCl 709320673 QFPJFAFCYJKPBM-HTQZYQBOSA-N 257.739 -0.363 50 20 CBGD Cn1ccc(S(=O)(=O)NNC(=O)c2ccccc2O)n1 727350380 XDYZWOLIPKISKS-UHFFFAOYSA-N 296.308 -0.251 50 20 CBGD O=C(COC(=O)[C@@H](O)C1CC1)NNC(=O)c1ccccc1 730881183 RUYCHNOUFMSHBP-LBPRGKRZSA-N 292.291 -0.238 50 20 CBGD CC(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744474518 ULCYAVMCSCMEPY-UHFFFAOYSA-N 261.237 -0.118 50 20 CBGD CSC[C@@H](C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758056076 RIIXUIUAVPDPKY-RQJHMYQMSA-N 297.402 -0.929 50 20 CBGD COC(=O)C[C@H](C)C(=O)NNC(=O)c1c[nH]nc1C 758486076 LJYSBZDUUQRGKU-LURJTMIESA-N 268.273 -0.322 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@@H](O)c1cccnc1 764882216 YSNUWTIHKPFEIE-JTQLQIEISA-N 264.285 -0.145 50 20 CBGD CC(C)NC(=O)NNC(=O)C1(O)CCSCC1 764926600 PTVBMRHHHHKFGY-UHFFFAOYSA-N 261.347 -0.017 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCO[C@@H](C)C1 770355405 NFTRPBGMZZDSBX-DTWKUNHWSA-N 259.306 -0.079 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C#N)c[nH]1 772170505 QMLCKUYGBGBKQI-SSDOTTSWSA-N 278.268 -0.011 50 20 CBGD NC(=O)C(=O)NN=CCCc1ccc2c(c1)OCCO2 774573744 BIZWDUPHDAGZNW-UHFFFAOYSA-N 277.280 -0.022 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@H]1CCCN1C1CC1 787267925 RLBYBMGUCSJNEJ-LLVKDONJSA-N 282.344 -0.314 50 20 CBGD C/C=C(/CC)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 789743295 GSTBOLSGOAFISF-CHDHTGKKSA-N 289.357 -0.140 50 20 CBGD COc1cc(NC(=O)C(=O)NNC(=O)C(C)C)ccn1 806974507 KXFJDOYTKOSEKJ-UHFFFAOYSA-N 280.284 -0.168 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)CC(C)(C)C(=O)OC 808307346 QLZGCYWJDDZSFI-UHFFFAOYSA-N 295.361 -0.319 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1COc2ccc(O)cc2O1 823913223 QFTRSMVUMHDFOV-PRHODGIISA-N 282.296 -0.124 50 20 CBGD Cn1ncc(C2CC2)c1C(=O)NNC(=O)C(C)(C)O 832749227 FKYGZCFBMSLATO-UHFFFAOYSA-N 266.301 -0.171 50 20 CBGD Cc1c(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cnn1C 843661910 QURVNWSBPJKOMT-KOLCDFICSA-N 280.328 -0.157 50 20 CBGD CC(=O)NNC(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1 845072637 KTFHAFGTFJKDIH-NSHDSACASA-N 297.286 -0.987 50 20 CBGD COCCCNC(=S)N(C)NC(=O)CN(C)C(C)=O 854279774 IQKAALWFPGUBLN-UHFFFAOYSA-N 290.389 -0.661 50 20 CBGD C[C@H](C(=O)NNC(=O)c1ccccn1)[C@H]1CCC(=O)N1 858091939 KLPWKPUFVBYEIH-DTWKUNHWSA-N 276.296 -0.243 50 20 CBGD Cc1occc1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858157486 XORQWHHJRWPYCW-VIFPVBQESA-N 280.284 -0.303 50 20 CBGD CN(CCOCC1CC1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858695938 GYGWBIBCOZLMKV-JTQLQIEISA-N 298.343 -0.636 50 20 CBGD C[C@@H]1OCCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)[C@H]1C 858696000 JPEBXAIPBQQOQB-CIUDSAMLSA-N 284.316 -0.885 50 20 CBGD CC(C)CC(=O)NNC(=O)NC[C@H]1COCCN1 861681864 SKPJBFVTTVTZMD-VIFPVBQESA-N 258.322 -0.649 50 20 CBGD C[C@@](O)(C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 862462397 WRZYSTWVKITEAE-YGRLFVJLSA-N 291.307 -0.680 50 20 CBGD CNC(=O)NNC(=O)Cc1ccc(OC)c(O)c1 864993636 ZXFCPPODHWMPSK-UHFFFAOYSA-N 253.258 -0.097 50 20 CBGD Cn1nncc1S(=O)(=O)NCC(Cl)Cl 867471129 WMYIGMFITGQSLY-UHFFFAOYSA-N 259.118 -0.103 50 20 CBGD COC(=O)N(C)NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 875237024 HFAQGQUCNLWOBG-VHSXEESVSA-N 286.332 -0.238 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)C1(C(N)=O)CCC1 899995620 XUWWXXFKQHNWQW-UHFFFAOYSA-N 272.374 -0.064 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CCOC[C@H]1CCCO1 910170254 ISLXDRCABLTPFJ-GHMZBOCLSA-N 260.334 -0.084 50 20 CBGD CC(C)C(=O)NNC(=O)CCCN1C(=O)CCC1=O 915618592 XXNRZJRRCKZQJU-UHFFFAOYSA-N 269.301 -0.281 50 20 CBGD O=C(NNC(=O)c1ccccc1)N[C@@H]1COC(=O)C1 923723358 ZFDQIHYTJSUWDY-VIFPVBQESA-N 263.253 -0.054 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNC(=S)NC(C)C 1115892744 KNTKELJWDNLLFU-ZETCQYMHSA-N 260.363 -0.195 50 20 CBGD CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)c1cnn(C)c1 1121034745 FSJABFAEUCZKIN-NXEZZACHSA-N 266.301 -0.004 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1CN2CCN1C[C@@H]2C 1123572715 BQKMCIRWROYJBY-UWVGGRQHSA-N 285.417 -0.722 50 20 CBGD Cn1cccc1C(=O)C(=O)NNC(=O)NC1CC1 1261216788 MUZUYLMNKULHTN-UHFFFAOYSA-N 250.258 -0.299 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1cnc[nH]1 1261499942 ZDWBKGHFADKEKB-PSASIEDQSA-N 266.301 -0.085 50 20 CBGD Cc1cc(C(=O)NNC(=O)C2=NN(C)C(=O)CC2)n[nH]1 1319795102 URQKPDAHJMESOH-UHFFFAOYSA-N 278.272 -0.913 50 20 CBGD Cc1ccc(S(N)(=O)=O)cc1C(=O)NN(C)C(N)=O 1320843643 UQDUXEYBZLXLPZ-UHFFFAOYSA-N 286.313 -0.702 50 20 CBGD NC(=O)N1CCC[C@@H](C(=O)NN=c2cc[nH]cc2)C1 1323605261 HZXATDFJXBWZLW-SECBINFHSA-N 263.301 -0.263 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCOCC(F)F)cn1 1324448432 QIJQIBFGRWTTDS-UHFFFAOYSA-N 291.258 -0.354 50 20 CBGD CNC(=O)NNC(=O)c1ccc(C(=O)NC)nc1 1326286029 JAXDLJNKFGFSQB-UHFFFAOYSA-N 251.246 -0.985 50 20 CBGD Cc1cc(C)c(C(=O)NNC(=O)CS(C)(=O)=O)[nH]1 1329207393 GVPQWNZBCUPBDS-UHFFFAOYSA-N 273.314 -0.563 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCCS1(=O)=O 1332870215 SODXPJWBMWMPNR-YIZRAAEISA-N 290.341 -0.864 50 20 CBGD Cc1cc(=NNC(=O)[C@@H]2CN3CCN2C[C@@H]3C)cc[nH]1 1520352356 KQRGGTFCSFQDJA-AAEUAGOBSA-N 275.356 -0.357 50 20 CBGD Cc1nccnc1NC(=O)NNC(=O)C1CCNCC1 1579884033 ORPMOBNVTUTTPN-UHFFFAOYSA-N 278.316 -0.063 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@H]1NCc2n[nH]cc21 1580573792 NTUWVMAFVQAPLL-LBPRGKRZSA-N 286.295 -0.661 50 20 CBGD C[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C[C@H]1C(=O)O 1594646501 YDKUQBNDUZKSCU-ZYUZMQFOSA-N 299.327 -0.195 50 20 CBGD COC(=O)C(=O)NN[C@H](C(=O)O)c1ccc(C#N)cc1 1598684909 QPFYYRXUNFNNCA-VIFPVBQESA-N 277.236 -0.522 50 20 CBGD Cn1cc(C(=O)NN=C2CCN(CCC(=O)O)CC2)nn1 1600931006 ZYXAVJYYBLQSQN-UHFFFAOYSA-N 294.315 -0.529 50 20 CBGD O=C(NCCc1ccc(O)cc1)NNC(=O)C(=O)O 1601512379 RXKSIMXDNPEZOS-UHFFFAOYSA-N 267.241 -0.650 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@H]1C(=O)O)c1cccnc1 1601556508 ZWTHOFBAVZTQSY-DTWKUNHWSA-N 263.253 -0.047 50 20 CBGD COCC(=O)NNC(=O)Nc1cccc(-c2nn[nH]n2)n1 1605039674 OWZCWPIQCMVXIF-UHFFFAOYSA-N 292.259 -0.939 50 20 CBGD C#CCNC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 43480987 QEQWJDQDAQLMBP-UHFFFAOYSA-N 295.320 -0.333 50 20 CBGD COc1ccnc(NNC(=O)c2nccnc2N)n1 47493436 PZGYCJHURUDYFW-UHFFFAOYSA-N 261.245 -0.386 50 20 CBGD CCN1C[C@@H](C(=O)NNC(=O)c2cnn(C)c2)CC1=O 117683390 PBLZGCQUMYORNH-QMMMGPOBSA-N 279.300 -0.951 50 20 CBGD COc1ccc(NNC(=O)[C@@H]2CN(C)CCO2)nc1 159187649 UDDBASVZWUXGBL-JTQLQIEISA-N 266.301 -0.136 50 20 CBGD O=C(NNC(=O)C1[C@H]2CCC[C@H]12)C(=O)N1CCCC1 178172926 MKDVIEUVJZZZJC-IUCAKERBSA-N 265.313 -0.198 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@@H]2CCCS2)nn1 268304805 XVUMDMKQFZRXRF-ZETCQYMHSA-N 267.314 -0.086 50 20 CBGD Cc1nn(C)c(C)c1OCC(=O)NNC(=O)C(C)(C)O 276247343 LPRZOJDDCOOHJX-UHFFFAOYSA-N 284.316 -0.666 50 20 CBGD CN(C)C(=O)NNC(=O)C1(O)Cc2ccccc2C1 365769344 OIKGSMXAYQSMIZ-UHFFFAOYSA-N 263.297 -0.181 50 20 CBGD COC(=O)N1CCC(=NNC(=O)C(=O)NC2CC2)CC1 490693194 YVBOKYXDWLOAAB-UHFFFAOYSA-N 282.300 -0.401 50 20 CBGD Cn1cc(C=NNC(=O)CNC(=O)OC(C)(C)C)nn1 494540324 SSSFLTWLVPIWPS-UHFFFAOYSA-N 282.304 -0.210 50 20 CBGD CCN(CC)C(=O)CCNC(=O)c1ccc(B(O)O)cc1 584932267 JAMOFEBBLFKURX-UHFFFAOYSA-N 292.144 -0.645 50 20 CBGD CC[C@@H](C)[C@H](CO)NC(=O)c1cccc(B(O)O)c1 584970275 VMCWPQFZZRFAAX-SKDRFNHKSA-N 265.118 -0.497 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCc3n[nH]cc3C2)cc1 585029685 IWUASDMIJKGHTP-ZDUSSCGKSA-N 271.129 -0.263 50 20 CBGD CCOCCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 728179761 JYHNXMZVVQLIJH-JTQLQIEISA-N 278.374 -0.095 50 20 CBGD COC(=O)[C@@H](NNC(C)=O)c1ccc(-c2nn[nH]n2)cc1 736898614 QJAFMSZFKXMQBH-JTQLQIEISA-N 290.283 -0.279 50 20 CBGD COc1cccc(NCC(=O)NNC(=O)CNC(=O)O)c1 738107317 YAXBQCZLMOANSD-UHFFFAOYSA-N 296.283 -0.478 50 20 CBGD CSc1ncc(Cl)c(C(=O)NNC(=O)CO)n1 753443822 CIICLMGCDISXIH-UHFFFAOYSA-N 276.705 -0.395 50 20 CBGD CCCCNC(=O)NNC(=O)CNS(=O)(=O)CC 758705572 CCJKRDUEWHRYMQ-UHFFFAOYSA-N 280.350 -0.944 50 20 CBGD CN(C)c1ccc2c(c1)NC(=O)C2=NNC(=O)CO 761833412 CIGUWGUEFCGLBV-UHFFFAOYSA-N 262.269 -0.483 50 20 CBGD CC(C)(C)[C@H](O)C(=O)NNC(=O)CNC(=O)c1ccco1 764951577 SMJMPIIVHXZTHV-SNVBAGLBSA-N 297.311 -0.436 50 20 CBGD CN(C)CC(=O)NNC(=O)C1(C)COC(C)(C)OC1 775607990 REAUVTYIOSEGGU-UHFFFAOYSA-N 273.333 -0.515 50 20 CBGD CS(=O)(=O)c1ccc(C=NNC(=O)CO)cc1 776780418 IPFFAKYTJSPSDX-UHFFFAOYSA-N 256.283 -0.468 50 20 CBGD CN(C)C(=O)Cn1cc(C(=O)NCC(Cl)Cl)nn1 808128697 CJNWWROXEFPXMA-UHFFFAOYSA-N 294.142 -0.100 50 20 CBGD CC(=NNC(=O)C(N)=O)c1cccc(O[C@@H](C)C(=O)O)c1 814695856 UDWYTNVVASMZST-QMMMGPOBSA-N 293.279 -0.136 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@H]2CCCO2)n[nH]1 817213734 BEPYPUGFYXSYLW-SECBINFHSA-N 252.274 -0.413 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1nc2ncccn2n1 823912776 LCBBHHONSJRBAX-ZETCQYMHSA-N 250.262 -0.918 50 20 CBGD CCNC(=O)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 825476089 AJQJPXREOJPDQF-UHFFFAOYSA-N 264.249 -0.841 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)[C@H](O)C2CC2)n1 831988774 UHJNIYRRQRFAFB-SSDOTTSWSA-N 257.681 -0.074 50 20 CBGD COc1cc(C)nc(NNC(=O)N[C@H]2[C@@H]3CNC[C@@H]32)n1 842000368 XYXCERJLVOZRGF-MBTKJCJQSA-N 278.316 -0.362 50 20 CBGD CCCN1C[C@H](C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1=O 843662890 VGCAUKPBKCCZES-HBNTYKKESA-N 297.355 -0.183 50 20 CBGD O=C(NNc1ncncc1Cl)[C@H]1CCS(=O)(=O)N1 845993332 LRMGCJLBAMXOOG-ZCFIWIBFSA-N 291.720 -0.735 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@H]1CCCN1C=O)C1CC1 855095289 KKLZBKYENHXJHY-WCBMZHEXSA-N 284.385 -0.099 50 20 CBGD C[C@H](Cc1cnn(C)c1)C(=O)NNC(=O)c1cc[nH]n1 855354842 KKUIHHVLKYCOFW-MRVPVSSYSA-N 276.300 -0.217 50 20 CBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)c1cccc(F)n1 856426607 BOQKLDWNZKAWOI-BQBZGAKWSA-N 280.259 -0.507 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CCNC2)n1 861706599 YCVPTTARPKJHGH-SNVBAGLBSA-N 280.332 -0.808 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCOC(=O)N1 862094796 FFVWMIDOWWYQLX-XLPZGREQSA-N 271.273 -0.943 50 20 CBGD NC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)c2cn[nH]c2)C1 862470726 VFWAGELJELIFQO-JGVFFNPUSA-N 279.300 -0.538 50 20 CBGD Cc1cccc(NNC(=O)Cn2ncn(C)c2=O)n1 862520697 AZJDPLKRYUWZAG-UHFFFAOYSA-N 262.273 -0.571 50 20 CBGD CS(=O)(=O)CC(=O)NN=C[C@@H]1CCSC1 863186760 KOLGPPSRBYSNKG-ZETCQYMHSA-N 250.345 -0.114 50 20 CBGD Cc1nnc(NNC(=O)CN(C)C2CCC2)nc1O 863854837 CCJIZYPMMNJEAL-UHFFFAOYSA-N 266.305 -0.187 50 20 CBGD CC(C)OC(=O)CCNC(=O)c1cccc(B(O)O)c1 863869177 IXKPHGMFDPKBPY-UHFFFAOYSA-N 279.101 -0.562 50 20 CBGD CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1ccc(B(O)O)cc1 863879677 XUUPVUHTZXOHTC-ZJUUUORDSA-N 293.128 -0.316 50 20 CBGD COC(=O)C1(C)CN(C(=O)c2cc(B(O)O)ccc2F)C1 863884322 HLRGFXQVRZKGBL-UHFFFAOYSA-N 295.075 -0.859 50 20 CBGD COCCOCC(=O)NNC(=O)c1c[nH]cc1C 869911055 TYJUYJCJRRXBAP-UHFFFAOYSA-N 255.274 -0.253 50 20 CBGD O=C(NNC(=O)c1ccccc1-n1cnnn1)NC1CC1 920823323 NOKXGEZZJQAMJA-UHFFFAOYSA-N 287.283 -0.231 50 20 CBGD CCNC(=O)NNC(=O)c1cn(Cc2ccccn2)nn1 1116143193 RHQROMIPHJZKKR-UHFFFAOYSA-N 289.299 -0.315 50 20 CBGD CCOCC(=O)NNC(=O)NCc1cc(C)ncn1 1116390991 LLHZAXRIQFFSPX-UHFFFAOYSA-N 267.289 -0.348 50 20 CBGD C[S@@](=O)CCCNC(=O)NNC(=O)Cc1ccncc1 1122091409 XYXUTFUMEYSAOO-HXUWFJFHSA-N 298.368 -0.277 50 20 CBGD CN1C[C@@H](NC(=O)NNc2ccncn2)CC1=O 1122361391 SFGQVKVKIRWAOD-ZETCQYMHSA-N 250.262 -0.667 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C[C@@H]1CCOC1 1252057694 VSQTXCHSFAEIII-VIFPVBQESA-N 285.344 -0.135 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)[nH]1 1253485968 ZNQHSVOCCBSNJA-ZETCQYMHSA-N 296.308 -0.918 50 20 CBGD CC(C)CN1CCC[C@@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1262633109 BWEUBJVVJRBDJD-GHMZBOCLSA-N 296.371 -0.467 50 20 CBGD Cn1cc(C(=O)NN=c2cc[nH]cc2Cl)c(O)nc1=O 1320568623 AARMBGJBDVJUHI-UHFFFAOYSA-N 295.686 -0.287 50 20 CBGD CN(C)N(C(=O)c1cnsn1)[C@@H]1CCS(=O)(=O)C1 1321871873 VOKHZTSJOIKZLJ-SSDOTTSWSA-N 290.370 -0.356 50 20 CBGD Cn1nccc1C(=O)NNc1ncnc2[nH]cnc12 1322145101 RBJOUMVLNPOOGR-UHFFFAOYSA-N 258.245 -0.157 50 20 CBGD CNc1nc(C)cc(C(=O)NNc2nccn(C)c2=O)n1 1323242442 DPRZABNGGNIALP-UHFFFAOYSA-N 289.299 -0.323 50 20 CBGD CS(=O)(=O)c1cc(C(=O)NN)cc([N+](=O)[O-])c1 1326350539 UXYKEPZSUORDTP-UHFFFAOYSA-N 259.243 -0.398 50 20 CBGD COCCNC(=S)NNC(=O)C1CCOCC1 1333250030 SZPXETOFZXYOFE-UHFFFAOYSA-N 261.347 -0.445 50 20 CBGD COC[C@H](C)NC(=S)NNC(=O)c1cc[nH]n1 1346686124 APFNPOUGFLVCLD-LURJTMIESA-N 257.319 -0.447 50 20 CBGD COCCOCC(=O)NNC(=O)CCc1nccn1C 1520373190 KOVLDFCZPFKGEJ-UHFFFAOYSA-N 284.316 -0.837 50 20 CBGD NCCCCCC(=O)NNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 1580292625 GUOMNFZFUHJDCK-WDEREUQCSA-N 298.387 -0.055 50 20 CBGD O=C(NNC(=O)c1ccc[nH]1)C1=NO[C@@]2(CCNC2)C1 1580737223 MOJQXKVIJYRWGG-LBPRGKRZSA-N 277.284 -0.716 50 20 CBGD C[C@H]1C[C@@H](C(=O)O)CN(CC(=O)NNC(=O)C2CC2)C1 1589278446 FRWGEEBVBZFFCG-WCBMZHEXSA-N 283.328 -0.414 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CCOCC1)NC1CC1 1594782585 CACBTVPXAJEFHK-UHFFFAOYSA-N 271.273 -0.639 50 20 CBGD O=C(O)Cc1ccc(NNC(=O)[C@]2(O)CCOC2)cc1 1602136027 FMMOCBMGHXYBJI-ZDUSSCGKSA-N 280.280 -0.092 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCC[C@]1(C)C(=O)O 1602959299 MEIUQKDGFSGOFI-GFCCVEGCSA-N 271.317 -0.271 50 20 CBGD CC(=O)NNS(=O)(=O)c1cccc(F)c1C(=O)O 1603052874 WNXSOKCIURZFMW-UHFFFAOYSA-N 276.245 -0.147 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@@H](C(=O)O)[C@@H]1C 1603706464 UTHWTFIUYBXOIK-DTWKUNHWSA-N 271.317 -0.415 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@H](CC(=O)O)C1CC1 1609881498 LXIRMBHDCZSFNT-VXNVDRBHSA-N 271.317 -0.225 50 20 CBGD CCc1noc(C)c1C(=O)NNC(=O)C(=O)NC1CC1 8402582 GBSJNXZGKIDQQO-UHFFFAOYSA-N 280.284 -0.415 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc2c(c1)OCCO2 48961974 KURCNFWKSHDQQM-UHFFFAOYSA-N 287.297 -0.420 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(OCC(N)=O)cc1 49183270 VODWUPQITSEFJB-UHFFFAOYSA-N 280.284 -0.485 50 20 CBGD CC(C)CCC(=O)NCC(=O)NNC(=O)c1cnn(C)c1 117820133 VZPPLZUHHRFOFZ-UHFFFAOYSA-N 295.343 -0.267 50 20 CBGD Cc1c(C(=O)NNC(=O)CO)cnn1CC(C)C 182740619 MHULABYLPQTVOG-UHFFFAOYSA-N 254.290 -0.399 50 20 CBGD Cc1ccn(CC(=O)NNC(=O)N2CCOCC2)c(=O)c1 278200906 SBZMHXABJANPHU-UHFFFAOYSA-N 294.311 -0.770 50 20 CBGD C[C@](O)(C(=O)NNC(=O)CNC(=O)c1ccco1)C1CC1 286115413 MAINEKVAYBHDFB-CYBMUJFWSA-N 295.295 -0.682 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)CC2CC2)nc1 294083912 ICJJMQNRZSYBKE-UHFFFAOYSA-N 262.269 -0.258 50 20 CBGD O=S1(=O)CC(NS(=O)(=O)CCCCl)C1 380041035 RYFBUEPOGXJTPQ-UHFFFAOYSA-N 261.752 -0.668 50 20 CBGD CCN(C[C@H](C)C#N)C(=O)c1ccc(B(O)O)cc1 584930655 PLKFFHYCCSEKRQ-SNVBAGLBSA-N 260.102 -0.012 50 20 CBGD CN(C)C[C@H]1CCCN1C(=O)c1ccc(B(O)O)c(F)c1 584938792 CFFKRBIGDJSNHV-LLVKDONJSA-N 294.135 -0.328 50 20 CBGD O=C(NCCCCn1ccnc1)c1cccc(B(O)O)c1 584944882 DDPPHOTYJMNNQH-UHFFFAOYSA-N 287.128 -0.227 50 20 CBGD O=C(NC[C@H]1CCCC[C@@H]1O)c1ccc(B(O)O)cc1 584950874 NESNJXNXKRFOFA-YPMHNXCESA-N 277.129 -0.353 50 20 CBGD C[C@@H](O)C[C@@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F 584966089 VYVOHORPYFQNFT-KOLCDFICSA-N 295.119 -0.119 50 20 CBGD CC(C)(C)[C@@H](CCO)NC(=O)c1ccc(B(O)O)cc1 584970055 LEWBNOHKUKIEBZ-GFCCVEGCSA-N 279.145 -0.107 50 20 CBGD COC[C@](C)(CCO)NC(=O)c1ccc(B(O)O)c(F)c1 584970628 DOXSHLNEAMQLPU-ZDUSSCGKSA-N 299.107 -0.977 50 20 CBGD CC(C)N1CC(NC(=O)c2cccc(B(O)O)c2)C1 584973240 BYBJAICTLVEWLD-UHFFFAOYSA-N 262.118 -0.811 50 20 CBGD CN(CC(C)(C)CO)C(=O)c1ccc(B(O)O)c(F)c1 584994528 AUGIPIXBOXIQDW-UHFFFAOYSA-N 283.108 -0.404 50 20 CBGD OB(O)c1ccc(CNCCCOC[C@H]2CCCO2)o1 585014301 NBYDQFMXTJLATB-GFCCVEGCSA-N 283.133 -0.365 50 20 CBGD OB(O)c1ccc(CNC2CCOCC2)c(F)c1 585017208 PGEAIMQUSKVTAY-UHFFFAOYSA-N 253.082 -0.226 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCO[C@@]3(CCOC3)C2)o1 585034446 LCYZSPCOMUKSRU-GWCFXTLKSA-N 281.117 -0.613 50 20 CBGD Cc1cc(CCNCc2cccc(B(O)O)c2)on1 585041321 XJHOKVSSTPZFLV-UHFFFAOYSA-N 260.102 -0.005 50 20 CBGD CN(C)[C@@H]1CC[C@H](NCc2cccc(B(O)O)c2)C1 585050460 ZMXDSQVPLDRWRS-UONOGXRCSA-N 262.162 -0.061 50 20 CBGD CCCCC(=O)N1CSC[C@H]1C(=O)NCB(O)O 585059209 DMCOTSBJXMGOPH-QMMMGPOBSA-N 274.151 -0.794 50 20 CBGD C[C@@H]1C[C@@H](N)CN1CC(=O)NNC(=O)c1ccccc1 702659782 MMNIDCVAQXQWEB-ZYHUDNBSSA-N 276.340 -0.131 50 20 CBGD CCOCC(=O)NNC(=O)NCCCC(=O)NC1CC1 731280968 KLUGDFYXFAWHJZ-UHFFFAOYSA-N 286.332 -0.588 50 20 CBGD CN1CCN(C)[C@H](CNC(=O)NNc2cccnn2)C1 736387021 MEGRFCSLUUNYLQ-SNVBAGLBSA-N 279.348 -0.652 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@H](C)COC 748635098 ZQLOGFGRIQKWHU-UWVGGRQHSA-N 291.348 -0.349 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 749586813 ZVLRVCZCMCWCRB-JTQLQIEISA-N 282.344 -0.015 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CC1CCCC1 749940804 PBEAEPRQPLYBJS-UHFFFAOYSA-N 262.331 -0.241 50 20 CBGD C[C@H](CNC(=O)NNC(=O)C1CCCC1)S(C)(=O)=O 754674443 WEMIJDIJJPUSLL-MRVPVSSYSA-N 291.373 -0.060 50 20 CBGD C[C@@H]1OCC[C@]1(C)NCC(=O)NNC(=O)C1CC1 755170049 PZQCKUOUFSYNAQ-UFBFGSQYSA-N 255.318 -0.299 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C 757799454 VWGCDDNXZNTEDT-GXSJLCMTSA-N 284.360 -0.164 50 20 CBGD CCO[C@@H](CC(=O)NNC(=O)C(=O)NC1CC1)C(C)C 760305859 VHVHAGKTEFTKPN-JTQLQIEISA-N 285.344 -0.136 50 20 CBGD CCN1C[C@@H](C)N(CC(=O)NNC(=O)C2CC2)C[C@H]1C 766252531 HFYDTKODBKGKEJ-GHMZBOCLSA-N 282.388 -0.042 50 20 CBGD COc1ccnc(NNC(=O)Cn2cnc(C#N)n2)n1 769108812 KORBCOLAJUUWSU-UHFFFAOYSA-N 274.244 -0.908 50 20 CBGD CSc1cccc(C)c1NC(=O)C(=O)NNC(=O)CO 770782975 VZGCHGROFAIYLE-UHFFFAOYSA-N 297.336 -0.205 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)c2cccn2C)C1=O 771929108 ILVXGBOFCCLCTK-QMMMGPOBSA-N 264.285 -0.736 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](O)C1CC1 772095996 HSNLRMNRPYLRRW-GZMMTYOYSA-N 286.328 -0.118 50 20 CBGD NC(=O)c1cccc(C(=O)NNC(=O)Cc2ccncc2)n1 782003259 UWYBEBPBMIRNPA-UHFFFAOYSA-N 299.290 -0.421 50 20 CBGD COC[C@@](C)(O)C(=O)NNc1nc2ccccn2n1 791248667 OVMNZQRCBYOTRA-LLVKDONJSA-N 265.273 -0.430 50 20 CBGD CS(=O)(=O)C1(CNC(=O)NNC(=O)C2CCC2)CC1 793257198 XSJKMNPXHOLKJP-UHFFFAOYSA-N 289.357 -0.306 50 20 CBGD CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)NNC(=O)C(C)(C)C 794578396 YZERNCGWPTZJPO-ZJUUUORDSA-N 298.387 -0.316 50 20 CBGD C[C@@H]1COC(=O)C1=NNC(=O)[C@@H]1CCS(=O)(=O)C1 794889630 UHTIWAKULDMIAG-RNFRBKRXSA-N 274.298 -0.914 50 20 CBGD COCC(=O)NNC(=O)Nc1cccc2c1OCC(=O)N2 810258817 ZUUGCQGWCWYRES-UHFFFAOYSA-N 294.267 -0.183 50 20 CBGD O=C1C[C@@H](C(=O)NNC(=O)c2ccccc2F)NC(=O)N1 816813903 BGWSMVWELUWFSQ-QMMMGPOBSA-N 294.242 -0.815 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNc1ccc(C(=O)O)cn1 833396230 ZRQYPCHQGYGCLM-ZCFIWIBFSA-N 266.257 -0.253 50 20 CBGD Cc1cc(C)nc(NNC(=O)Cn2ccc(O)nc2=O)n1 837301601 ADTZMIQULXRCJZ-UHFFFAOYSA-N 290.283 -0.501 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H]2CCC[C@H](N)[C@H]2C1 843368833 ZYNUCVBNFOKAMT-BJDJZHNGSA-N 282.388 -0.009 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](CCN)C1 843378288 NKSRDOZYBISQLP-MNOVXSKESA-N 270.377 -0.007 50 20 CBGD CC(=O)NC(C)(C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843647807 NUCXAQRSNXYWTD-IONNQARKSA-N 271.317 -0.527 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc2n(n1)CCCO2 843655113 HYGUKAJQWCRCCF-RKDXNWHRSA-N 294.311 -0.148 50 20 CBGD CCCNC(=O)NNC(=O)C(C)(C)CNC(C)=O 845302064 LZMCDLIDDXRFSO-UHFFFAOYSA-N 258.322 -0.111 50 20 CBGD CNC[C@@H](C)NC(=O)NNC(=O)Cn1nc(C)cc1C 851680660 KAJZTWPEGVTSFA-SECBINFHSA-N 282.348 -0.562 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCC[C@@H]1[C@H](C)O 852560220 ZCOBNIUMWZHSOA-VHSXEESVSA-N 257.334 -0.365 50 20 CBGD Cc1cnc(S(C)(=O)=O)nc1C(=O)NNC(=O)C1CC1 854181265 YDGZKOYLEUWFHS-UHFFFAOYSA-N 298.324 -0.640 50 20 CBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNC(=S)NCC1CCC1 855089065 ATDJKHLNGDDSGD-HTRCEHHLSA-N 286.357 -0.221 50 20 CBGD CCC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cc[nH]n2)C1 855359664 ZZILJNNQMUBFMQ-VIFPVBQESA-N 293.327 -0.181 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cccc(F)n2)CN1 856422312 SAZHXDVGLBLRQY-SSDOTTSWSA-N 280.259 -0.492 50 20 CBGD COC(C)(C)CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862459239 PSUFSZJWCSRZDM-ZETCQYMHSA-N 257.290 -0.773 50 20 CBGD CC(C)OC(=O)CNC(=O)c1cc(B(O)O)ccc1F 863874099 MXSWYMPSZPSZLP-UHFFFAOYSA-N 283.064 -0.813 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H](O)C1CCCCC1 869905982 HJFCCUWMWCVPQE-LBPRGKRZSA-N 288.344 -0.262 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@H]2[C@@H](O)CC[C@H]2C1 886572899 IFZIULFYSSVXRJ-AXFHLTTASA-N 269.345 -0.508 50 20 CBGD CN1C(=O)CCC[C@H]1C(=O)NNC(=O)NCC(F)(F)F 907967416 NHHOZYBZTPBOPO-LURJTMIESA-N 296.249 -0.110 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCCN1c1ncccn1 910139143 PMKCBQRUKGYSAD-GHMZBOCLSA-N 279.344 -0.211 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NNC(=O)CC1CC1 914751808 CJKGXDKSPBRZKJ-SNVBAGLBSA-N 269.345 -0.098 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H](C)n2cncn2)n1 915263194 BYIZLJWNKNALCW-JTQLQIEISA-N 291.315 -0.500 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 920862268 VXTMCGWDARFRSI-SECBINFHSA-N 298.343 -0.636 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCc2nc[nH]c2C1 929080095 XFUWBFJIINNHEM-UHFFFAOYSA-N 271.085 -0.712 50 20 CBGD Nc1ncccc1C=NNC(=O)N[C@H]1CCS(=O)(=O)C1 1116289009 RJLZNJGKBVMPSA-VIFPVBQESA-N 297.340 -0.516 50 20 CBGD O=C(CCO)NNC(=O)C(=O)Nc1ccc2c(c1)CCC2 1116623627 PMARTNNYIGQZIL-UHFFFAOYSA-N 291.307 -0.356 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2c(F)ccnc2F)N1 1118884186 BJNAZLFWPJRVLO-LURJTMIESA-N 284.222 -0.601 50 20 CBGD O=C(NNC(=O)c1ccc2nnc(O)n2c1)NC1CC1 1253795001 VOGXGHJSVDJHKP-UHFFFAOYSA-N 276.256 -0.459 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CCCN1C(=O)CN(C)C1=O 1262178315 XHRTVSNLVHUIKS-SECBINFHSA-N 286.332 -0.996 50 20 CBGD CC(CS(C)(=O)=O)=NNC(=O)c1cnn(C)c1 1318903890 XLRATTJEBHLULQ-UHFFFAOYSA-N 258.303 -0.430 50 20 CBGD Cc1cccnc1C(=O)NNC(=O)C(=O)NC(C)C 1318946285 WJXYDVOSTRGVTH-UHFFFAOYSA-N 264.285 -0.324 50 20 CBGD CCn1cc(NC(=O)C(=O)NNC(=O)C2CC2)cn1 1320348742 AYQSWALNFFLUGR-UHFFFAOYSA-N 265.273 -0.601 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1C[C@H](C)O[C@H](C)C1 1323268797 JOXVOEBHAWZXFK-RNLVFQAGSA-N 273.289 -0.554 50 20 CBGD CN(C)c1nccc(NNC(=O)c2cn(C)nn2)n1 1323765972 PEOBRFWXENJADJ-UHFFFAOYSA-N 262.277 -0.572 50 20 CBGD COC(=O)N(C)NC(=O)C1(S(C)(=O)=O)CC1 1323788292 YNGVSGFHCHOEEF-UHFFFAOYSA-N 250.276 -0.707 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cc(C)ns1 1326638910 HYGSOAYZLMUXRY-UHFFFAOYSA-N 258.259 -0.223 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)N1 1330109510 WBCWMICWJVSFEC-KDXUFGMBSA-N 279.296 -0.972 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CCO[C@H](C)C1 1330604023 PSDYQAIMJVGHGP-NXEZZACHSA-N 274.317 -0.388 50 20 CBGD CCO[C@H]1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 1341976443 XRUPMZKMDDTLAP-IUCAKERBSA-N 284.316 -0.883 50 20 CBGD O=C(NNC(=O)c1cc(C2CC2)no1)C(=O)N1CCCC1 1344574672 PLPUHYQPSHSCQF-UHFFFAOYSA-N 292.295 -0.065 50 20 CBGD CS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CCNC1=O 1351132192 JSODIVRTIVLVRZ-MRVPVSSYSA-N 297.336 -0.331 50 20 CBGD CNC1(C(=O)NNC(=O)c2cnsn2)CCC1 1578593023 PCXUIKMGCFDNQI-UHFFFAOYSA-N 255.303 -0.559 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNc1ncncc1Cl 1593911910 UGDBIKZSFGAQFY-RXMQYKEDSA-N 260.637 -0.327 50 20 CBGD Cc1ccc(NNC(=O)NCCOCC(=O)O)nn1 1600461776 WEEFADUMLGWEED-UHFFFAOYSA-N 269.261 -0.488 50 20 CBGD CC(C)(CO)C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1603151016 CMPFENAKVGAIDP-UHFFFAOYSA-N 277.288 -0.277 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(C(=O)O)nn1C 1604834308 JNRJIVJJPFMUFG-NKWVEPMBSA-N 296.283 -0.696 50 20 CBGD CN1CCCC(C)(C)[C@H]1CNC(=O)NNC(=O)C(=O)O 1606223451 PXTWKURKBGKRDG-MRVPVSSYSA-N 286.332 -0.478 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1)NC1CCCC1 1608479019 GZMQMCPUXJBVOK-BDAKNGLRSA-N 285.300 -0.108 50 20 CBGD CCOCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 23154767 RQRLRHJYPXSHSK-UHFFFAOYSA-N 290.283 -0.540 50 20 CBGD CN(C)C(=O)CNC(=O)NNC(=O)Cc1ccc(F)cc1 43715348 LJLWRRQTPKOCNB-UHFFFAOYSA-N 296.302 -0.213 50 20 CBGD COc1ccnc(NNC(=O)CN2CCCC2=O)n1 46364149 GCPDVBNYTPTJRP-UHFFFAOYSA-N 265.273 -0.449 50 20 CBGD CCCCNC(=O)NNC(=O)CCNS(C)(=O)=O 49143676 NNOZVGIAHUIWKE-UHFFFAOYSA-N 280.350 -0.944 50 20 CBGD O=C(Cc1ccccc1F)NNC(=O)[C@H]1COCCO1 66785482 KEDCMRNNECWWOD-LLVKDONJSA-N 282.271 -0.069 50 20 CBGD CN1C[C@H](NC(=O)NNC(=O)c2ccccc2)CC1=O 267469070 BTFGJCLBMOQELJ-SNVBAGLBSA-N 276.296 -0.139 50 20 CBGD CC[C@@H](NNC(=O)CNC(=O)c1ccco1)C(=O)OC 279865735 SWBMKNUHKQLDAE-MRVPVSSYSA-N 283.284 -0.418 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1ncccc1F 286125512 XBAXPWPNFXCYOS-ZCFIWIBFSA-N 276.293 -0.399 50 20 CBGD COC(=O)NNC(=O)[C@@H](CNC(=O)OC(C)(C)C)OC 289632768 VZCBSNDCXWYPNS-SSDOTTSWSA-N 291.304 -0.087 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2CN3CCCN2CC3)n1 367168620 UGGURHLELDHEDO-JTQLQIEISA-N 292.343 -0.682 50 20 CBGD Cn1cc2c(n1)CCC[C@H]2C(=O)NNC(=O)C(C)(C)O 369746816 YYQSENLHAVRMTF-MRVPVSSYSA-N 280.328 -0.242 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN(C)C(=O)OC(C)(C)C 496644137 OXDAGMXWPKKENK-ZETCQYMHSA-N 295.361 -0.178 50 20 CBGD COCCCOCC(=O)Nc1cccc(B(O)O)c1 584914491 XYVNCQBRBZURHT-UHFFFAOYSA-N 267.090 -0.642 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@@H](F)C1 584994675 CQQDLRKMIHHCGJ-MRVPVSSYSA-N 255.029 -0.311 50 20 CBGD C[C@@H](O)CN(C(=O)c1ccc(B(O)O)c(F)c1)C1CC1 585008129 KJUSHWXQDRVYLZ-MRVPVSSYSA-N 281.092 -0.509 50 20 CBGD CC[C@H](C)NC(=O)CCNCc1ccccc1B(O)O 585020680 FWZQRYYKLLAVJH-NSHDSACASA-N 278.161 -0.239 50 20 CBGD OB(O)c1ccccc1CN[C@@H]1CCN(C2CC2)C1 585022640 USDHGXRPNBGVKK-GFCCVEGCSA-N 260.146 -0.307 50 20 CBGD CS[C@H](CO)[C@@H](C)NCc1ccccc1B(O)O 585027598 CAFJWHWHNGZQGJ-BXKDBHETSA-N 269.175 -0.432 50 20 CBGD CCO[C@@H]1COCC[C@@H]1NCc1ccc(B(O)O)cc1F 585035274 QSVJKAYSTHSFRP-UONOGXRCSA-N 297.135 -0.211 50 20 CBGD COc1ccccc1OCCC(=O)NCB(O)O 585056313 MUBNQQFEADJMTF-UHFFFAOYSA-N 253.063 -0.408 50 20 CBGD CC(C)(C)[C@H](C(=O)O)C(=O)N1CC[C@H](B(O)O)C1 585066771 NEYNVEFAQRSLDO-YUMQZZPRSA-N 257.095 -0.191 50 20 CBGD COc1ccnc(NNC(=O)[C@H](C)N2C(=O)CCC2=O)n1 727729918 YLEHWYMHRYBKBL-ZETCQYMHSA-N 293.283 -0.534 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)CN1CCSC1=O 728852535 FAWDYIIRPYHPRJ-UHFFFAOYSA-N 294.336 -0.060 50 20 CBGD C=CCOc1cccnc1C(=O)NNC(=O)CO 753437194 GKPOUIUBIXXEAX-UHFFFAOYSA-N 251.242 -0.600 50 20 CBGD COCCOCCS(=O)(=O)NNC(=O)C1CCC1 754749994 ZKHTYACEASKWRV-UHFFFAOYSA-N 280.346 -0.600 50 20 CBGD C#CCOCCC(=O)NNC(=O)CNC(=O)c1ccco1 755833015 IKFFQANZBUGNCR-UHFFFAOYSA-N 293.279 -0.803 50 20 CBGD CO[C@H](C)CC(=O)NNc1ccc(C(N)=O)nn1 757399631 OMTNGPHYJXFWOM-ZCFIWIBFSA-N 253.262 -0.556 50 20 CBGD Cc1cc(NC(=O)NNC(=O)c2cnccn2)nn1C 757753164 JQWNGBDFPLXDJW-UHFFFAOYSA-N 275.272 -0.015 50 20 CBGD C#Cc1cccc(NC(=O)C(=O)NNC(=O)COC)c1 764302310 BNJFIMIKLISISM-UHFFFAOYSA-N 275.264 -0.600 50 20 CBGD Cn1ccnc(NNC(=O)[C@@H]2CCCCO2)c1=O 772472046 MBHWTUAMHZDGJM-QMMMGPOBSA-N 252.274 -0.208 50 20 CBGD N#CC1=CCN(S(=O)(=O)N2CCOCC2)CC1 780929237 WOXRUTPRQLIXBI-UHFFFAOYSA-N 257.315 -0.281 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H]2C[C@]2(CO)C1 782606477 RUYXTJIURAONPR-YGOYTEALSA-N 255.318 -0.754 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](C(=O)OC)[C@H]1C 787325439 QQWVVDNCCQRELC-KXUCPTDWSA-N 285.344 -0.184 50 20 CBGD COCCONC(=O)NNC(=O)c1ccccc1O 789336900 JHMADNMLLKXPMR-UHFFFAOYSA-N 269.257 -0.086 50 20 CBGD C[C@H]1COCCC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 794495417 AGYURWSUEPDGEG-DTWKUNHWSA-N 289.357 -0.115 50 20 CBGD COC(=O)COCC(=O)NNC(=O)C1CCCC1 806442765 IYQVEXOBGFHVJF-UHFFFAOYSA-N 258.274 -0.486 50 20 CBGD COc1nnccc1NC(=O)NNC(=O)c1c[nH]nc1C 808903170 YWSODFLDCVDTJS-UHFFFAOYSA-N 291.271 -0.017 50 20 CBGD COCCOCC(=O)NNC(=O)c1cccnc1 811878835 PDALLOOKYJPACE-UHFFFAOYSA-N 253.258 -0.494 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)N=c2cc[nH]cc2)nn1 815003885 OIZCOGGBSNSVOP-UHFFFAOYSA-N 289.255 -0.665 50 20 CBGD Cn1cnnc1COCC(=O)NN=c1cc[nH]cc1Cl 816125978 RCZVLTFYXIYYDZ-UHFFFAOYSA-N 296.718 -0.055 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@](C)(O)c1ccccc1 817595670 ZERYLMXVJBOCDX-ZDUSSCGKSA-N 266.297 -0.188 50 20 CBGD Cn1cc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)nn1 826360111 XYJIJQNFMOVANN-UHFFFAOYSA-N 297.282 -0.241 50 20 CBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)NCC(F)(F)F 827304523 WTDDILYGENXELR-BYPYZUCNSA-N 271.195 -0.010 50 20 CBGD CCCN1C[C@@H](C(=O)NNC(=O)NC2CC2)CC1=O 840287940 BCHPJGIKACHYQA-QMMMGPOBSA-N 268.317 -0.262 50 20 CBGD N[C@@H]1CCC[C@H]2CN(CC(=O)NNC(=O)C3CC3)C[C@H]12 843367644 GYBGZNQEDTYADT-SDDRHHMPSA-N 280.372 -0.397 50 20 CBGD C#CCO[C@H](C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843660652 LVIKTXSKGLZYLS-IVZWLZJFSA-N 254.286 -0.403 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1 843662575 RRAFIRRNSQZPPE-IUCAKERBSA-N 284.312 -0.098 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCN(C)[C@@H]1C 843964665 FMITXKVTYFTVJZ-LMLFDSFASA-N 269.345 -0.101 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H](C)N1CCN(C)CC1 843977678 GZFYIVNKINDVQA-WOPDTQHZSA-N 298.387 -0.805 50 20 CBGD Cc1nc(C)c(C(=O)NNC(=O)c2cnn(C)c2)[nH]1 857129317 XCOQALODIKWMLZ-UHFFFAOYSA-N 262.273 -0.165 50 20 CBGD CCO[C@H]1C[C@@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858532020 FEJQXGCHZWFCNP-HRDYMLBCSA-N 284.316 -0.837 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858694837 BGPHMOKIWWLHTR-SSDOTTSWSA-N 299.331 -0.937 50 20 CBGD COCCOCC(=O)NN=Cc1cc(C)n(C)n1 872399664 HMZJCNFPYYBLSG-UHFFFAOYSA-N 254.290 -0.158 50 20 CBGD Cc1cc(=NNC(=O)NC[C@@H]2CCCNC2=O)cc[nH]1 875664390 OEAFPTLWJDLYPE-JTQLQIEISA-N 277.328 -0.036 50 20 CBGD CCNC(=O)NC1(C(=O)NN(C)C[C@@H](C)O)CCCC1 910168221 MGMZQBJUNUDTOD-SNVBAGLBSA-N 286.376 -0.038 50 20 CBGD C=CCN1C(=O)C(=NNC(=O)C(N)=O)c2ccccc21 916272319 MCVWUXGXPBSRSM-UHFFFAOYSA-N 272.264 -0.475 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccccc1 919675271 MCUDBKHXOPTXCJ-UHFFFAOYSA-N 256.283 -0.508 50 20 CBGD Cc1noc(C)c1C(=O)NNC(=O)CN1CCCC1=O 920825125 GJTLSTHVIUAHCF-UHFFFAOYSA-N 280.284 -0.325 50 20 CBGD O=C(CCO)NNC(=O)Nc1cc2n(n1)CCCC2 1117408118 QIJJIUULCSUTJH-UHFFFAOYSA-N 267.289 -0.246 50 20 CBGD O=C(CCc1cccnc1)NNC(=O)[C@@H]1CCC(=O)N1 1118942435 CULGRWIUHDYJGH-JTQLQIEISA-N 276.296 -0.560 50 20 CBGD Cc1cc(CS(=O)(=O)N2CC[C@H](B(O)O)C2)on1 1261843317 CFKURDUVDDZQOT-QMMMGPOBSA-N 274.107 -0.638 50 20 CBGD CSCCNC(=S)NNC(=O)c1cnn(C)c1N 1320288969 JYYSJUCXDCYIMT-UHFFFAOYSA-N 288.402 -0.526 50 20 CBGD C[S@@](=O)C1(CNC(=O)NNC(=O)c2ccc[nH]2)CC1 1321181018 DZRJETPUJJJZOF-LJQANCHMSA-N 284.341 -0.130 50 20 CBGD NC(=O)c1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1 1329216481 WSLIFMOQVMVUFE-SNVBAGLBSA-N 262.074 -0.526 50 20 CBGD NC(=O)c1ccc(NNC(=O)c2cnn(C3CC3)c2)nn1 1330225090 MCTGPPWAXLGNDD-UHFFFAOYSA-N 287.283 -0.136 50 20 CBGD Cc1cc(=NNC(=O)N[C@@H]2CCN(C)C2=O)cc[nH]1 1330696460 MKFJCUFKBBLNOX-SNVBAGLBSA-N 263.301 -0.331 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H](CO)CC1CCC1 1331313089 RQPHDXLFJQUZHO-JTQLQIEISA-N 281.316 -0.095 50 20 CBGD COc1cc(C(=O)NNC(=O)CN(C)C)ccn1 1339032796 NBUCMZGEWAURLH-UHFFFAOYSA-N 252.274 -0.587 50 20 CBGD CC[C@H](C)[C@H](CNC(=O)NNC(=O)C(=O)OC)OC 1344564727 AYJRQYORMIGDHD-YUMQZZPRSA-N 275.305 -0.449 50 20 CBGD CO[C@@H]1CC[C@@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 1348110798 ONEYWCYJVUBURF-IWSPIJDZSA-N 284.316 -0.837 50 20 CBGD CC(C)(C#N)CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1348386471 GYUVPVNRIWSAPS-ZETCQYMHSA-N 252.274 -0.648 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@H](N)CO)c(F)c1 1573940902 VJXZLQJWUPRQJS-MRVPVSSYSA-N 271.248 -0.625 50 20 CBGD O=C(NNC(=O)[C@H]1CCN1)c1cc(Br)n[nH]1 1580732786 JIIFQMIRKGOBLQ-SCSAIBSYSA-N 288.105 -0.705 50 20 CBGD CC[C@H](CNC(=O)NNc1nnc(C)n1C)C(=O)O 1589539924 ZIHKNEKPASXYTP-SSDOTTSWSA-N 270.293 -0.140 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)N(C)C)O[C@H]1C(=O)O 1599876106 PBDASGDFHCWQGC-FSDSQADBSA-N 259.262 -0.833 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@H]2CC[C@@H](C(=O)O)O2)n1 1600512200 BMIJQCOCEUJXTI-ZJUUUORDSA-N 293.279 -0.217 50 20 CBGD C[C@@H](CC=NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)O 1609738139 TULANIVYJLVASD-JGVFFNPUSA-N 276.314 -0.366 50 20 CBGD O=C(NCCc1nccs1)NNC(=O)C(=O)O 1610695711 QLYIJYAVSSGMFH-UHFFFAOYSA-N 258.259 -0.899 50 20 CBGD NC1CCN(CC(=O)NNC(=O)c2cccs2)CC1 36754173 OHXATUIJPREDQU-UHFFFAOYSA-N 282.369 -0.068 50 20 CBGD CCS(=O)(=O)CC(=O)NNC(=O)c1ccc(C#N)cc1 61462638 VWTPNIVCNPQZJE-UHFFFAOYSA-N 295.320 -0.246 50 20 CBGD CCOCC(=O)NNC(=O)c1ccc(-c2nnn[nH]2)cc1 95175795 KWWNWTASAYMVAE-UHFFFAOYSA-N 290.283 -0.336 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCCOC2)[nH]n1 151183509 SFISYCBHRICKBA-QMMMGPOBSA-N 252.274 -0.094 50 20 CBGD CNC(=O)[C@H]1CN(C(=O)NNC(=O)C(C)(C)C)CCO1 272785441 OVNHBZJAYVVJJY-MRVPVSSYSA-N 286.332 -0.780 50 20 CBGD CO[C@@H](C(=O)NNC(=O)c1cnn(C)c1)C1CC1 280296181 FKRBJWWEPCPCHE-SECBINFHSA-N 252.274 -0.394 50 20 CBGD CC[C@](C)(C#N)C(=O)NNC(=O)C(=O)N1CCCC1 285992412 NATKTCVBTINBCX-GFCCVEGCSA-N 266.301 -0.304 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2NC(=O)O[C@H]2C)n1 496762647 FZVKEPXKYWZNJX-IONNQARKSA-N 278.268 -0.352 50 20 CBGD CC[C@H](O)CCNC(=O)c1ccc(B(O)O)c(F)c1 584960543 RIKINEXJKGNMRU-VIFPVBQESA-N 269.081 -0.604 50 20 CBGD CC(C)C[C@@H](CO)NC(=O)c1ccc(B(O)O)c(F)c1 584967438 VXKGRPXIHMAUOG-JTQLQIEISA-N 283.108 -0.358 50 20 CBGD CN(C)CC1CN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584995813 RUAPUACAPKBERX-UHFFFAOYSA-N 280.108 -0.861 50 20 CBGD CCN(C(=O)c1cc(B(O)O)ccc1F)C1COC1 584996133 YJQDUSREEGOBCO-UHFFFAOYSA-N 267.065 -0.634 50 20 CBGD CC(=O)N1CC[C@H](NCc2cccc(B(O)O)c2)C1 585030970 NCCAYFNXZQAEJU-ZDUSSCGKSA-N 262.118 -0.923 50 20 CBGD O=C(NCB(O)O)c1cn(-c2cccc(Cl)c2)nn1 585062002 BIBGIZXDWFCPGT-UHFFFAOYSA-N 280.480 -0.338 50 20 CBGD CC(=O)NN=C1CCN(CCN2CCOCC2)CC1 731559770 KNXOKDVFJDBPNI-UHFFFAOYSA-N 268.361 -0.094 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)C2CCC2)CC1=O 732141867 XWKFNDGVJNUZBC-SECBINFHSA-N 253.302 -0.198 50 20 CBGD CC[C@@H](SC)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 746774843 CXPSWHBDPGYJOO-JGVFFNPUSA-N 294.398 -0.290 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CCCN1c1ncccn1 747366239 FZTOPBRMNRUEBC-VIFPVBQESA-N 278.316 -0.204 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@@](C)(O)C1 748832468 KFWRHNJKVCYYIS-GFCCVEGCSA-N 257.334 -0.363 50 20 CBGD COc1ccc(CC(=O)NNC(=O)CO)cc1[N+](=O)[O-] 753446013 YKMBMJBITSSDCJ-UHFFFAOYSA-N 283.240 -0.714 50 20 CBGD CC(C)CC(=O)NCCC(=O)NNC(=O)Cc1cc[nH]n1 755270142 YCVQEHNIHQUDGN-UHFFFAOYSA-N 295.343 -0.348 50 20 CBGD COC1(C(=O)NNC(=O)C(=O)NC2CC2)CCCCC1 771925759 BALNXVUANPQZMI-UHFFFAOYSA-N 283.328 -0.238 50 20 CBGD CC(C)N(C)CC(=O)NNC(=O)N1CCN(C)CC1 773672384 HUWZNFCETVNPMF-UHFFFAOYSA-N 271.365 -0.685 50 20 CBGD COC(=O)CNC(=O)NN=Cc1c(C)n[nH]c1C 779818604 SXWHHLZSYFNONA-UHFFFAOYSA-N 253.262 -0.167 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCCNC(=O)[C@@H]1C 788275187 IPLJKFUFMSCVMK-QWRGUYRKSA-N 298.387 -0.221 50 20 CBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNC(=O)C(C)C 792015487 AWNNHKZYVZESMC-CQSZACIVSA-N 295.339 -0.289 50 20 CBGD COC[C@H](CO)NC(=O)NNC(=O)c1ccc(C#N)cc1 792871460 LKAOJXJBNQGYEY-NSHDSACASA-N 292.295 -0.490 50 20 CBGD O=C(CO)NNC(=S)NCCc1cccs1 820169259 PJJCSZSGMAIXFC-UHFFFAOYSA-N 259.356 -0.222 50 20 CBGD CCN(CCO)NC(=O)CCSCC(=O)OC 823856649 WIZHSMCAFVUORK-UHFFFAOYSA-N 264.347 -0.372 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@H]1CC[C@@H](C)O1 838745647 PVGZIGNUEDPMKS-RKDXNWHRSA-N 259.306 -0.079 50 20 CBGD COC(=O)Cn1cc(C=NNC(=O)[C@H]2CCO[C@H]2C)nn1 842548773 BVQICKMXTLHWCK-WPRPVWTQSA-N 295.299 -0.674 50 20 CBGD CC1CCN(C(=O)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1 843970742 KNMDJABFAYRSCM-QWRGUYRKSA-N 297.355 -0.183 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)Cc1cc(C)no1 845599160 SARGHONUEZVOLS-UHFFFAOYSA-N 296.327 -0.022 50 20 CBGD CC(C)C(=O)NNC(=O)CN(C)[C@H]1CCC(=O)N(C)C1 846921445 UVBTZZMKPCTNOM-JTQLQIEISA-N 284.360 -0.658 50 20 CBGD CCOC(=O)[C@H](CC(=O)NNC(=O)C1CC1)C(C)=O 854180027 GWUBQHURZKOVQU-SECBINFHSA-N 270.285 -0.298 50 20 CBGD C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCCSC#N 854360958 IPZVAUUKVWLPDH-WCBMZHEXSA-N 285.369 -0.017 50 20 CBGD O=C(NNC(=O)[C@@H]1CCNC1=O)c1cccc(Cl)n1 857324763 MOFSPHZGMASCCF-ZCFIWIBFSA-N 282.687 -0.368 50 20 CBGD C[C@@H](CC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CC1 862454098 QIUWPDJWUHIWKL-IONNQARKSA-N 253.302 -0.151 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCN2C2CCCC2)N1 862467017 KSEXRNYIRRRCJS-QWRGUYRKSA-N 294.355 -0.571 50 20 CBGD Cc1nocc1C(=O)NNC(=O)N1CCOCC1 865045802 ADZCPSAXVFWCOY-UHFFFAOYSA-N 254.246 -0.330 50 20 CBGD C[C@@H](NCc1ccccc1B(O)O)[C@@H](O)C(F)(F)F 877693894 TYPLAXCHJIMDFT-GMSGAONNSA-N 277.051 -0.232 50 20 CBGD O=C(CO)NNC(=O)c1cccc2c1CCOC2 897606477 PWLYIHPAOWVPMA-UHFFFAOYSA-N 250.254 -0.487 50 20 CBGD O=C1CN(CC(=O)NNc2ccccc2F)CCN1 901163892 XPDYEOZJJJHAII-UHFFFAOYSA-N 266.276 -0.299 50 20 CBGD COc1cc(CCC(=O)NN(C)C[C@H](C)O)on1 910138466 IOXCJRBWUIOOFK-QMMMGPOBSA-N 257.290 -0.040 50 20 CBGD C=C[C@@](C)(O)CC(=O)NNC(=O)CN1CCCC1=O 913733012 SCOYPZLCALGJCA-GFCCVEGCSA-N 269.301 -0.917 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 913733527 LTUXNKIWFLEOIO-BBBLOLIVSA-N 281.312 -0.676 50 20 CBGD CCO[C@@H]1C[C@@H]1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 916109861 BTCXFUHLIORHJO-OUAUKWLOSA-N 290.385 -0.096 50 20 CBGD CC(C)N1CCC[C@H]1C(=O)NNC(=O)Cc1cc[nH]n1 932156450 FFTGAFMRIBYRNS-NSHDSACASA-N 279.344 -0.028 50 20 CBGD O=C1C[C@H](C(=O)NNC(=O)c2ccc[nH]2)CCN1 1116266732 MHKRDQFWAQKWOO-SSDOTTSWSA-N 250.258 -0.698 50 20 CBGD O=C(Cc1cn2ccccc2n1)NNC(=O)Cn1cncn1 1252429205 BIOABLJWLGUSMI-UHFFFAOYSA-N 299.294 -0.684 50 20 CBGD CCOCCn1cc(C(=O)N2CC[C@@H](B(O)O)C2)cn1 1261843650 NDGXWALERBAOPH-LLVKDONJSA-N 281.121 -0.392 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2nnn(C)c2C)n1 1318762117 XJRPJYLAMFTYKE-UHFFFAOYSA-N 291.315 -0.602 50 20 CBGD O=C(CC[C@H]1CCOC1)NNC(=O)C(=O)N1CCCC1 1319119623 JFSKBNOQKOASKK-JTQLQIEISA-N 283.328 -0.427 50 20 CBGD CC(=O)c1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)o1 1320835575 PSDXYTOVUQKRKB-UHFFFAOYSA-N 293.279 -0.134 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H]1CCNC(=O)C1 1322546895 QQZJXCXPZOLLRR-ZETCQYMHSA-N 258.347 -0.584 50 20 CBGD O=C(CCn1cnccc1=O)NNc1ncncc1F 1324583170 ZKCRPDVIMMVHOD-UHFFFAOYSA-N 278.247 -0.294 50 20 CBGD CN(NC(=O)CCC[C@@]1(C)NC(=O)NC1=O)C1CC1 1326617950 SJDPAZBVRRSISJ-GFCCVEGCSA-N 268.317 -0.120 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cn1cc(C2CC2)nn1 1329540032 QSASENCHZCXXKR-PSASIEDQSA-N 293.327 -0.272 50 20 CBGD C/C=C(\C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1331310305 UOKFFQBZSKTDHY-DKCNVOGISA-N 260.315 -0.465 50 20 CBGD COc1coc(C(=O)NN(C)C[C@H](C)O)cc1=O 1332176706 WOFUNPTUBRAVSE-ZETCQYMHSA-N 256.258 -0.394 50 20 CBGD O=C(C[C@@H]1CCOC1)NNC(=O)CN1CCCC1=O 1334261206 VDRZENDQAAJZJZ-VIFPVBQESA-N 269.301 -0.817 50 20 CBGD C[C@@H]1CC(NC(=O)NNC(=O)C(=O)NC2CC2)C[C@@H](C)O1 1336892791 BLDHLLKBDCROOI-HTQZYQBOSA-N 298.343 -0.449 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1cc[n+]([O-])cc1 1337240040 PVJGYTBMRWPHLD-JTQLQIEISA-N 265.269 -0.350 50 20 CBGD Cc1ccc(C(=O)NN(C)C(N)=O)cc1S(N)(=O)=O 1341910653 VZCXGRUFDDYARY-UHFFFAOYSA-N 286.313 -0.702 50 20 CBGD CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](B(O)O)C1 1348490283 OWROXGYTPOIVKF-SECBINFHSA-N 256.111 -0.776 50 20 CBGD C[C@@]1(CNC(=O)[C@H](N)CO)C[C@@H]1Br 1354355805 BVSOJKUUQVFZBC-CHKWXVPMSA-N 251.124 -0.404 50 20 CBGD NCC[C@H](NC(=O)NNC(=O)C1CCOCC1)C(F)F 1580282575 BHNYEFHRSLOTAJ-QMMMGPOBSA-N 294.302 -0.274 50 20 CBGD C[C@H](C(=O)O)C(=O)NNc1ccccc1S(N)(=O)=O 1588576743 WVFIPBDQVNMSRE-LURJTMIESA-N 287.297 -0.502 50 20 CBGD O=C(O)C1(C(=O)NNc2nc[nH]n2)CCSCC1 1594867327 LPDRVRHTGZCRIB-UHFFFAOYSA-N 271.302 -0.154 50 20 CBGD O=C(O)C[C@@H](O)CNS(=O)(=O)CCCCl 1601912338 FBZAMTTVXOIYII-ZCFIWIBFSA-N 259.711 -0.630 50 20 CBGD C[C@@H](CC(=O)O)CC(=O)NNC(=O)N1CCOCC1 1604107119 VDYJBQKKXNYUML-MRVPVSSYSA-N 273.289 -0.440 50 20 CBGD Cn1cc(C(=O)C(=O)NNc2ccc(C(=O)O)cn2)cn1 1608096638 HTJNOWIUQZDYNK-UHFFFAOYSA-N 289.251 -0.161 50 20 CBGD C[C@@H](Cl)C(=O)NCCCN1CCS(=O)(=O)CC1 1887504205 QQMONANJVOKVFM-SECBINFHSA-N 282.793 -0.150 50 20 CBGD C=CCNC(=S)NNC(=O)Cc1cc(C)n[nH]1 17514126 MGJJXOGKFHDJSQ-UHFFFAOYSA-N 253.331 -0.058 50 20 CBGD CC(=O)NNC(=O)CNC(=O)NC1CCCCC1 48823248 UFZDGAHXXMYDGO-UHFFFAOYSA-N 256.306 -0.214 50 20 CBGD C[C@@H](C[S@@](C)=O)N(C)CC(=O)NNC(=O)C1CC1 125905426 RPUYJCIWZOCSMA-ASCAZGACSA-N 275.374 -0.757 50 20 CBGD CC(=O)NCC(=O)NNC(=O)CCc1ccccc1 194772938 AZVGDTQEGUBMQO-UHFFFAOYSA-N 263.297 -0.097 50 20 CBGD CCN1CCO[C@@H](C(=O)NNC(=O)NCCCOC)C1 377940311 AWCPUJLUJGIMEQ-SNVBAGLBSA-N 288.348 -0.926 50 20 CBGD COC(=O)N(C)NC(=O)CCn1cnccc1=O 496205598 ISFCFBOTGMUZAM-UHFFFAOYSA-N 254.246 -0.637 50 20 CBGD CCOC(=O)NNS(=O)(=O)CC(C)(C)C(=O)OC 496368656 NAHYLJVNJUCWFK-UHFFFAOYSA-N 282.318 -0.234 50 20 CBGD CO[C@@H](C(=O)Nc1cccc(B(O)O)c1)[C@H]1CCOC1 584913044 ZAUQVYQPUWCMMO-JOYOIKCWSA-N 279.101 -0.644 50 20 CBGD Cc1nnc([C@@H](C)NC(=O)c2cccc(B(O)O)c2)o1 584957932 KRMARCVLPNFCKG-SSDOTTSWSA-N 275.073 -0.451 50 20 CBGD C[C@H]1OCC[C@@]1(C)NC(=O)c1ccc(B(O)O)cc1 584974316 UFPBYYDKKIZZDI-NOZJJQNGSA-N 263.102 -0.336 50 20 CBGD C[C@@H]1COCCN1CCNCc1ccc(B(O)O)cc1 585032532 IHERUBNLAIQRIC-GFCCVEGCSA-N 278.161 -0.823 50 20 CBGD O=C1CC[C@H](CCNCc2ccc(B(O)O)cc2)N1 585040607 OEJLRIKJTCTCHX-GFCCVEGCSA-N 262.118 -0.875 50 20 CBGD CC(C)(C)[C@@H](O)C[C@@H](CO)NCc1ccc(B(O)O)o1 585042854 WBEJAPQDXSLTGM-ONGXEEELSA-N 285.149 -0.793 50 20 CBGD CCN(CC)S(=O)(=O)N1CC[C@@H](B(O)O)C1 585058099 SSWAFVRXEPEIPB-MRVPVSSYSA-N 250.129 -0.878 50 20 CBGD CCCNC(=O)NNC(=S)NCC(=O)NC(C)C 727277907 CKPOEVGKYIKQPU-UHFFFAOYSA-N 275.378 -0.401 50 20 CBGD O=C(NNC(=O)c1cnn[nH]1)c1ccc2nc(O)[nH]c2c1 729457999 ZKYXQMVRWOTBFW-UHFFFAOYSA-N 287.239 -0.539 50 20 CBGD O=C(CNC(=O)C1CC1)NNC(=O)CNc1ccccc1 729513947 BZJOWOQNJYPEKL-UHFFFAOYSA-N 290.323 -0.228 50 20 CBGD CCc1ncncc1C(=O)NNC(=O)c1cnn(C)c1 735446470 ZYXKHKGYXAKVPH-UHFFFAOYSA-N 274.284 -0.153 50 20 CBGD CCC1(O)CCN(CC(=O)NNC(=O)C2CC2)CC1 744410429 HFOMQLNAMUOUGT-UHFFFAOYSA-N 269.345 -0.219 50 20 CBGD O=C(CO)NNC(=O)c1csc([C@H]2CCCO2)n1 753439935 NTDOQVCBGPVSDL-SSDOTTSWSA-N 271.298 -0.252 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc2c(c1)CCC(=O)N2 755629416 KIVZNEAQTKWLMY-UHFFFAOYSA-N 278.268 -0.284 50 20 CBGD CO[C@H]1Cc2ccc(NC(=O)NNC(=O)CO)cc2C1 758053520 DXKSMQOCYQZZMQ-NSHDSACASA-N 279.296 -0.055 50 20 CBGD CC(CCCCO)=NNC(=O)[C@H](C)NS(C)(=O)=O 766704588 MMVHQFXJVBSQJA-VIFPVBQESA-N 279.362 -0.421 50 20 CBGD CO[C@@H](C(=O)NNc1nnc(C)c(O)n1)C(C)C 771725744 ZNRPLEBGJMDAAU-SSDOTTSWSA-N 255.278 0.000 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@](C)(O)C(C)C 772367029 UMTYLJYSWGIYDA-QPUJVOFHSA-N 274.317 -0.118 50 20 CBGD O=C(CO)NN=C1C(=O)Nc2ccc([N+](=O)[O-])cc21 776780808 PLOCWNMRTKVZKZ-UHFFFAOYSA-N 264.197 -0.641 50 20 CBGD Cn1cnc(C(=O)NNC(=O)CCc2ccccc2O)n1 810355842 KDBYTGKGBUJFSQ-UHFFFAOYSA-N 289.295 -0.086 50 20 CBGD CC(Cn1cccn1)=NNC(=O)[C@@H](C)NS(C)(=O)=O 814835252 LRRLKIOBYYMTTJ-SECBINFHSA-N 287.345 -0.687 50 20 CBGD CN(NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C1CC1 819641608 ZIQQYGFXNHVPHX-WTTBSCSTSA-N 289.335 -0.081 50 20 CBGD O=C1CSC[C@@H](C(=O)NNc2ccncn2)N1 821116278 ZDLAFFYNEAQBQE-LURJTMIESA-N 253.287 -0.849 50 20 CBGD O=C(CN1CCC2(CCNC2)CC1)NNC(=O)C1CC1 843386506 KMXBITGXJKEOCP-UHFFFAOYSA-N 280.372 -0.381 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843647308 YLSTUWWWKBGGJV-IONNQARKSA-N 257.290 -0.963 50 20 CBGD O=S(=O)(CBr)N[C@H](CO)CCF 846018699 WGPWIQBMVDHYGP-YFKPBYRVSA-N 264.116 -0.021 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccnc(N)c1[N+](=O)[O-] 847687145 NAFFZIJIHZFHLE-UHFFFAOYSA-N 282.260 -0.122 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@]1(C)CO 852701888 GQMAOPGGWQFUKS-NOZJJQNGSA-N 269.345 -0.506 50 20 CBGD Cc1ccc(F)cc1NNC(=O)[C@@H](CO)NC(N)=O 855369671 VAMIYYKQJJFARB-SECBINFHSA-N 270.264 -0.394 50 20 CBGD CN1C(=O)CN(CC(=O)NNC(=O)C2CCCC2)C1=O 858427995 MNNCDURHRDTXJJ-UHFFFAOYSA-N 282.300 -0.782 50 20 CBGD O=C(NC[C@@H]1COCCN1)NNc1cccnn1 861682573 SMEZMMGTGONEKL-MRVPVSSYSA-N 252.278 -0.909 50 20 CBGD CCOC(=O)[C@H](CC)C(=O)NNC(=O)c1cn[nH]c1 862469475 LGMFRRBCPIRNKX-MRVPVSSYSA-N 268.273 -0.240 50 20 CBGD CN(C[C@H]1C[C@@H](O)C1)C(=O)c1ccc(B(O)O)cc1 863890318 NHADQWMKBKXJIK-WVSHTKLVSA-N 263.102 -0.791 50 20 CBGD CCOC(=O)/C(C#N)=C\NCCOCC(=O)OC 864349951 ZRFIARBDQWMLDS-CLFYSBASSA-N 256.258 -0.264 50 20 CBGD CCOCn1nc(C)c(CC(=O)NNC(=O)NC)c1C 864993053 QQHFIYJRACMAEL-UHFFFAOYSA-N 283.332 -0.003 50 20 CBGD COCCOCC(=O)NNC(=O)CN1CCC(C)CC1 869908431 NDJSOCMGRPVGLD-UHFFFAOYSA-N 287.360 -0.471 50 20 CBGD CCOC(=O)[C@H](C)NCc1cccc(B(O)O)c1 877471256 QUVHUWIBHHFIQG-VIFPVBQESA-N 251.091 -0.592 50 20 CBGD COCCN(C)NC(=O)Nc1cnn(CC(=O)N(C)C)c1 878829144 FOJXEWJWCBRNOS-UHFFFAOYSA-N 298.347 -0.414 50 20 CBGD COC(=O)[C@@H]1C[C@@H](O)CN(S(=O)(=O)CCCCl)C1 882312708 YJCGMTHTRKBAFA-RKDXNWHRSA-N 299.776 -0.199 50 20 CBGD COCC(=O)N(C)CC(=O)NNC(=S)NC(C)(C)C 899996822 UOOTWWHWPMOAIB-UHFFFAOYSA-N 290.389 -0.615 50 20 CBGD O=C1N[C@H](CC(=O)N2CC[C@H](B(O)O)C2)c2ccccc21 902551652 GYBPZJJXYOYDMA-JOYOIKCWSA-N 288.112 -0.064 50 20 CBGD COc1nccnc1NNC(=O)[C@H]1CCCC(=O)N1C 910578453 BFHBVQGKEOGPJG-MRVPVSSYSA-N 279.300 -0.061 50 20 CBGD CCCNC(=O)NNC(=O)[C@H](C)S(C)(=O)=O 921038281 NDVCVVFTLNZJSX-LURJTMIESA-N 251.308 -0.840 50 20 CBGD C[C@@H]1NC[C@H](C)N(CC(=O)NNC(=O)C2CC2)[C@H]1C 923435356 GWZISCBGMOFAQT-GUBZILKMSA-N 268.361 -0.386 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1CCc2nncn2C1 1119905675 GCPOWKOFNVVPFB-JTQLQIEISA-N 275.312 -0.209 50 20 CBGD O=C(O)[C@H](CC1CC1)NCc1cccc(B(O)O)c1 1262158104 YCFKCZDHHMXSLK-LBPRGKRZSA-N 263.102 -0.291 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccn(C)c1 1319165539 GQCVHAHCNLWNCQ-UHFFFAOYSA-N 252.274 -0.689 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccc(C(N)=O)cc1F 1320261700 RWASGLBQECMYBX-UHFFFAOYSA-N 298.230 -0.750 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 1325505060 ABHSAELHUCMBEP-UHFFFAOYSA-N 276.296 -0.262 50 20 CBGD CSCC[C@H](NC(N)=O)C(=O)NNc1cccnn1 1335173176 KEMMIHVTTNQFEK-ZETCQYMHSA-N 284.345 -0.290 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1c(O)nnc(C)c1C 1338843894 OKLNFNYNUZMLSB-UHFFFAOYSA-N 290.283 -0.095 50 20 CBGD COCCOCC(=O)NNC(=O)C1CCN(C)CC1 1352008915 DBINLGWVHZQZQB-UHFFFAOYSA-N 273.333 -0.861 50 20 CBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)NCC1CC1 1574282145 OWMCINYMEUAVRS-KBUNVGBDSA-N 255.274 -0.162 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)[C@@H](N)[C@@H](C)O)cc1C 1579727216 HVCZEFKCMFPLNC-MFKMUULPSA-N 295.339 -0.462 50 20 CBGD O=C(CN1CCNCC1)NNC(=O)NCc1ccco1 1580548881 DXUIVQHYBSXVLA-UHFFFAOYSA-N 281.316 -0.985 50 20 CBGD CC(C)(C)SCCNC(=O)NNC(=O)C(=O)O 1590430041 ZCZHCFBRQRPXIA-UHFFFAOYSA-N 263.319 -0.067 50 20 CBGD CC1(CNC(=O)NNC(=O)C(=O)O)C[C@H]2C[C@@H]2C1 1594019356 APHUYMCEJRMWBG-RNFRBKRXSA-N 255.274 -0.162 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)n[nH]1 1594280973 CKBDOELCMXGVQV-SFYZADRCSA-N 280.284 -0.020 50 20 CBGD O=C(CCO)NNC(=O)Nc1cccc(C(=O)O)c1 1601280709 XLFCMZDNVSCBRQ-UHFFFAOYSA-N 267.241 -0.080 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)c2cccn2C)O[C@H]1C(=O)O 1607442901 XXOBYOUHRSBVPB-SZEHBUNVSA-N 295.295 -0.336 50 20 CBGD C[C@H]1[C@H](C(=O)O)CCN1CC(=O)NNC(=O)C1CC1 1609832110 GWLOELXCICCYKZ-IONNQARKSA-N 269.301 -0.661 50 20 CBGD O=C(O)CCN1CCN(S(=O)(=O)CCl)CC1 1610779676 FSYFBTBMWQNTGN-UHFFFAOYSA-N 270.738 -0.395 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(C2CC2)[nH]n1 44858049 RFXGBEOGQQFJME-UHFFFAOYSA-N 279.300 -0.427 50 20 CBGD CCOCCNC(=O)NNC(=O)Cn1nc(C)cc1C 45643856 QTYSLQWQCHGGRM-UHFFFAOYSA-N 283.332 -0.133 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H](C)NC(N)=O)s1 49047807 QDDKBGNECXRPMO-LURJTMIESA-N 270.314 -0.126 50 20 CBGD CCOC(=O)NCC(=O)NNC(=O)c1ccccc1O 49088707 KCLLWXJUIYTJOR-UHFFFAOYSA-N 281.268 -0.101 50 20 CBGD O=C(CN1CCC[C@H]1CO)NNC(=O)c1cccs1 50116463 DYXVLUYRWPSZSU-VIFPVBQESA-N 283.353 -0.034 50 20 CBGD COC(=O)[C@H]1C[C@H]1C(=O)NNc1cc(Cl)nc(N)n1 272614535 SLHAQSYYUREFSH-UHNVWZDZSA-N 285.691 -0.036 50 20 CBGD C=CCNC(=S)NNC(=O)COCc1ccnn1C 284295178 KOSOLRZOTAAXDA-UHFFFAOYSA-N 283.357 -0.382 50 20 CBGD COC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)NC1CC1 285076753 LSPSUZCDIABPPN-JGVFFNPUSA-N 255.274 -0.322 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCc3nccn3C2)n[nH]1 364952766 TWTOZLCAALMHAV-VIFPVBQESA-N 288.311 -0.062 50 20 CBGD CN(NC(=O)[C@@]1(O)CCc2ccccc2C1)C(N)=O 367062323 LVSIPIKHHAWYTI-CYBMUJFWSA-N 263.297 -0.052 50 20 CBGD CCN1C[C@H](C(=O)Nc2cccc(B(O)O)c2)CC1=O 404993642 FKQBWBPOXHNQNI-SECBINFHSA-N 276.101 -0.827 50 20 CBGD CCCn1cc(C(=O)Nc2cccc(B(O)O)c2)nn1 584911023 GIFZSQGPGNZRJH-UHFFFAOYSA-N 274.089 -0.380 50 20 CBGD O=C(NC[C@H]1CCC[C@@H](O)C1)c1cccc(B(O)O)c1 584948464 CMLYNXNQNVAWKQ-GXFFZTMASA-N 277.129 -0.353 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1[C@H]2CC[C@H]1CC(O)C2 584948618 MTOIUNCAIDUOMN-UWVGGRQHSA-N 293.103 -0.367 50 20 CBGD CN(C)[C@@H]1CCC[C@H](NC(=O)c2cccc(B(O)O)c2)C1 584960762 NBXOEIUWESFOIX-UONOGXRCSA-N 290.172 -0.031 50 20 CBGD COC[C@@](C)(C#N)NC(=O)c1ccc(B(O)O)cc1 584962137 IZEQUFNNCQCREG-GFCCVEGCSA-N 262.074 -0.975 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCOCC12CCC2 584965181 PAGNOOMBHYEHFZ-UHFFFAOYSA-N 275.113 -0.239 50 20 CBGD CCN1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H](C)C1=O 584973263 FGNAUDQAHRNFSM-JTQLQIEISA-N 290.128 -0.941 50 20 CBGD CO[C@@H](C1CC1)[C@H](C)NC(=O)c1cccc(B(O)O)c1 584996492 JBKJNPKEOYZZPI-TVQRCGJNSA-N 277.129 -0.090 50 20 CBGD COCCOC[C@@H](C)NCc1ccccc1B(O)O 585027281 PYWGKYFPDZBTJF-LLVKDONJSA-N 267.134 -0.493 50 20 CBGD O=C(CCNCc1ccc(B(O)O)o1)N1CCCCC1 585033507 CPCJPUBXYWBZHV-UHFFFAOYSA-N 280.133 -0.548 50 20 CBGD CC(C)NC(=O)CNC(=S)NNC(=O)NCC1CC1 727279066 KYXHXIVGVSEUIM-UHFFFAOYSA-N 287.389 -0.401 50 20 CBGD CN(C)c1cccc(C(=O)NNC(=O)C2(C(N)=O)CC2)c1 731600341 HGLKHGGKKNTSPC-UHFFFAOYSA-N 290.323 -0.221 50 20 CBGD CCc1nncn1CCNC(=O)NNc1cccnn1 743705477 PTOGLWZHWMHXLX-UHFFFAOYSA-N 276.304 -0.043 50 20 CBGD Cc1nn(C)c(C)c1C=NNC(=O)C(=O)NC1CC1 744827801 OROBWGHLHAUQAY-UHFFFAOYSA-N 263.301 -0.234 50 20 CBGD COCC(=O)NNC(=O)Nc1cc(C)n(CCC#N)n1 757830780 LCVJBHONMHRNSK-UHFFFAOYSA-N 280.288 -0.096 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=S)NCCSC 770245096 DCZBSPBFHNEIIS-SECBINFHSA-N 281.403 -0.758 50 20 CBGD CN(NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)C(N)=O 778415763 QNHXKBLLBPGQTA-SSDOTTSWSA-N 256.306 -0.325 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)C1CCCC1 783897455 XXNOXMKZYXXGIV-VIFPVBQESA-N 253.302 -0.055 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CC(=O)N(CC2CC2)C1 789378754 VUSDMDHJXCZECW-UHFFFAOYSA-N 296.371 -0.308 50 20 CBGD CC(C)OC1CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)C1 814835076 GFAQFXQHBVKYEG-PEHGTWAWSA-N 291.373 -0.016 50 20 CBGD COCC(=O)NN=Cc1ccc(C(=O)OC)n1C 814872510 OWUYNIUXDNANGF-UHFFFAOYSA-N 253.258 -0.092 50 20 CBGD Cc1ccc(NNC(=O)N[C@@H]2CCC(=O)N(C)C2=O)nn1 823905833 NEUIAGFYXFVASD-MRVPVSSYSA-N 292.299 -0.441 50 20 CBGD CCn1nc(C(=O)NN(C)[C@H](C)CO)ccc1=O 823959366 GZFKLQVRFWGEBF-MRVPVSSYSA-N 254.290 -0.779 50 20 CBGD C[C@H](CO)N(C)NC(=O)Cc1ccc(-n2cnnn2)cc1 823977292 TUPQIDOJLRHWOS-SNVBAGLBSA-N 290.327 -0.451 50 20 CBGD COC1(OC)CC(NC(=O)c2cc(B(O)O)ccc2F)C1 824272853 FALSSSDFFZXJJV-UHFFFAOYSA-N 297.091 -0.613 50 20 CBGD CNCCNC(=O)NNC(=O)Cc1ccc(F)cc1 841936311 MJBSUAJGVTWIJX-UHFFFAOYSA-N 268.292 -0.082 50 20 CBGD CCCC[C@H](CN)NC(=O)NNC(=O)COCC 841959246 OTBRECYGTLHTSN-SECBINFHSA-N 260.338 -0.129 50 20 CBGD C[C@@H](CN)NC(=O)NNC(=O)COc1ccc(F)cc1 841982791 QCHNTULCJFYRQY-QMMMGPOBSA-N 284.291 -0.118 50 20 CBGD CC[C@@H]1CN(CC(=O)NNC(=O)C2CC2)CC[C@@H]1N 843377636 RSZTZUNMKWHQCD-KOLCDFICSA-N 268.361 -0.397 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2C[C@@H](N)C2)n1 843441692 ITEQLWATAAUFPB-OCAPTIKFSA-N 251.290 -0.026 50 20 CBGD COCCn1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)nn1 843663455 YQFTYCUILHLGNW-RKDXNWHRSA-N 297.315 -0.890 50 20 CBGD CN(CC(Cl)Cl)C(=O)c1cn(C)c(=O)n(C)c1=O 848081875 PIXQTIIIAFEUSQ-UHFFFAOYSA-N 294.138 -0.040 50 20 CBGD CCn1nncc1C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 853391113 ZKCWMOBGUJDFLI-PWSUYJOCSA-N 292.343 -0.389 50 20 CBGD Cc1ccoc1CC(=O)NNC(=O)C(=O)NC1CC1 854291410 YNFPKOVVGYGMJU-UHFFFAOYSA-N 265.269 -0.443 50 20 CBGD COC[C@@H](OC)C(=O)NNc1ccc(-n2ccnc2)nn1 854448226 CWUNHCCSENAZDN-SECBINFHSA-N 292.299 -0.233 50 20 CBGD CCO[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)C1CC1 861570804 MMAZHHRMSZWVPO-LLVKDONJSA-N 284.360 -0.210 50 20 CBGD CCCC[C@H](NC(N)=O)C(=O)NNC(=O)c1cn[nH]c1 862474942 UBJXXKHBFQSZNX-QMMMGPOBSA-N 282.304 -0.602 50 20 CBGD CS(=O)(=O)CC(=O)NN=Cc1ccc2c(c1)OCCO2 863190173 OHPQNVDWYNUBQR-UHFFFAOYSA-N 298.320 -0.048 50 20 CBGD CC(C)COC(=O)COc1ccc(B(O)O)cc1 863865335 BSSHFBYFTCYSGB-UHFFFAOYSA-N 252.075 -0.056 50 20 CBGD COC(=O)C1=C(C)O[C@@H](COc2ccc(B(O)O)cc2)C1 863865380 DFAIXKKBGRDVTE-GFCCVEGCSA-N 292.096 -0.019 50 20 CBGD C#CCCCC(=O)NNC(=O)CCN1C(=O)CCC1=O 887139689 ZOXKDPUKOYOCIR-UHFFFAOYSA-N 279.296 -0.524 50 20 CBGD C#CCCCC(=O)NNC(=O)CN(C)C(=O)C=C 887150291 FHDWMYDOQQFWTE-UHFFFAOYSA-N 251.286 -0.418 50 20 CBGD OB(O)c1cccc(CNCCO[C@H]2CCCCO2)c1 894795114 RQCRDFRHSBASCH-AWEZNQCLSA-N 279.145 -0.001 50 20 CBGD O=C(CCO)NN=C1C(=O)Nc2ccc([N+](=O)[O-])cc21 1116204632 DHAQIEQYRVLINR-UHFFFAOYSA-N 278.224 -0.250 50 20 CBGD O=C(Cc1nc2ncccn2n1)NNC(=O)c1ccncc1 1317916757 FRPIJUPLTYWJDV-UHFFFAOYSA-N 297.278 -0.477 50 20 CBGD CSCCNC(=S)NNC(=O)C[C@H]1COC(=O)C1 1319963139 RRPJWPABLAQCIP-SSDOTTSWSA-N 291.398 -0.202 50 20 CBGD N#Cc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)c[nH]1 1320721520 SAXQOWGETSBSOZ-UHFFFAOYSA-N 275.268 -0.730 50 20 CBGD CN(C)C(=O)NNC(=O)c1cnc2sccn2c1=O 1322110626 QOYFHXMTIXGZKQ-UHFFFAOYSA-N 281.297 -0.328 50 20 CBGD CCOC(=O)C(=O)N1CCN(C(=O)CCl)CC1 1323269500 MBHBLSWEHDQXCR-UHFFFAOYSA-N 262.693 -0.541 50 20 CBGD CCn1nncc1C(=O)NNC(=O)NCC(F)(F)F 1325011880 UBVWAPLWLCZHII-UHFFFAOYSA-N 280.210 -0.196 50 20 CBGD CN(NC(=O)Cn1cc(C(F)(F)F)ccc1=O)C(N)=O 1337366977 YOIFOAVYUFOBJA-UHFFFAOYSA-N 292.217 -0.091 50 20 CBGD COC(=O)C(=O)NNC(=O)C1=C(C)N(C(C)C)CC1 1337781275 YKHNAXGBAWZJML-UHFFFAOYSA-N 269.301 -0.305 50 20 CBGD Cn1nnc2c1C[C@@H](C(=O)NNC(=O)C1CCC1)CC2 1343522357 YHLFVGUHBMZMEV-VIFPVBQESA-N 277.328 -0.133 50 20 CBGD COc1ccnc(NNC(=O)C[C@H]2CCC(=O)NC2)n1 1351238949 NRHDWNILHGHYEU-MRVPVSSYSA-N 279.300 -0.155 50 20 CBGD O=C(O)Cn1cc(C(=O)NNC(=O)c2ccccc2)nn1 1574742798 BNAPXBBNHOUHHW-UHFFFAOYSA-N 289.251 -0.563 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H]1NCc2n[nH]cc21 1577460645 CIZQCGWNRGEXJQ-VIFPVBQESA-N 266.305 -0.316 50 20 CBGD C[C@H](NC(=O)CCC(=O)NNC(=O)CN)c1ccccc1 1579481087 PLPBLZOREMUCAK-JTQLQIEISA-N 292.339 -0.250 50 20 CBGD COc1cccc(NNC(=O)COCC(=O)O)n1 1594131848 QNWGXVYFMVDOEG-UHFFFAOYSA-N 255.230 -0.366 50 20 CBGD CCC[C@@](C)(NC(=O)c1cccc(B(O)O)c1)C(=O)O 1595552905 BDRKHGFJTLFDOU-CYBMUJFWSA-N 279.101 -0.260 50 20 CBGD O=C(O)CCCCC(=O)NNC(=O)C(=O)NC1CC1 1601982351 RTEPDOBPWWYXDK-UHFFFAOYSA-N 271.273 -0.943 50 20 CBGD O=C(O)c1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cc1 1602392887 JQTMFTTZYFEVQT-VIFPVBQESA-N 299.113 -0.378 50 20 CBGD CCC(=O)NNS(=O)(=O)c1ccc2c(c1)CC(=O)N2 7927816 UWEVLXHSBCPMHZ-UHFFFAOYSA-N 283.309 -0.099 50 20 CBGD Cc1occc1C(=O)NNC(=O)C(=O)NC(C)C 49535993 LYIDGAPSAVTVNV-UHFFFAOYSA-N 253.258 -0.126 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cncc(O)c2)[nH]n1 178009434 JGIYAJQRUJSCEJ-UHFFFAOYSA-N 261.241 -0.106 50 20 CBGD CC(C)Nc1ncccc1C(=O)NNC(=O)CO 180965838 GRMZOMMCIYSDNR-UHFFFAOYSA-N 252.274 -0.345 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 247647478 VTUAGNUSLOPJSY-DLGSQSEFSA-N 292.339 -0.360 50 20 CBGD CC[C@@H](C(=O)NNC(=O)Cc1cccnc1)C(=O)OC 277301498 SANAEUORSQUMLC-JTQLQIEISA-N 279.296 -0.029 50 20 CBGD O=C1CCCC[C@H](C(=O)NNC(=O)N2CCOCC2)N1 279163561 GLHKDSZOCBSGAW-SECBINFHSA-N 284.316 -0.882 50 20 CBGD CC(C)(C(=O)NNC(=O)c1ccncc1)N1CCOCC1 282647950 HDSYUASMHIHBCK-UHFFFAOYSA-N 292.339 -0.047 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 292576798 GGLONQYPBBRFOC-JTQLQIEISA-N 291.307 -0.336 50 20 CBGD COc1ccnc(NNC(=O)[C@H]2CN3CCCN2CC3)n1 367168621 UGGURHLELDHEDO-SNVBAGLBSA-N 292.343 -0.682 50 20 CBGD COC(=O)N(C)NC(=O)[C@H]1COCCN1CC(F)(F)F 367514099 PRLUUVMDHSHQSL-SSDOTTSWSA-N 299.249 -0.021 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1CCc2nccn2C1 372740641 LZRYHUSFYJUKBH-SNVBAGLBSA-N 293.327 -0.482 50 20 CBGD CCOC(=O)NNC(=O)[C@H](C)CS(C)(=O)=O 493160131 WEPMVSZSSHZMBB-ZCFIWIBFSA-N 252.292 -0.556 50 20 CBGD CC[C@@H]1C[C@@H](C(=O)Nc2cccc(B(O)O)c2)CC(=O)N1 584911947 BBPUHPDWJJCOHQ-MWLCHTKSSA-N 290.128 -0.390 50 20 CBGD C[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CCO1 584926246 HNICZLJOQMFLCE-QMMMGPOBSA-N 267.065 -0.634 50 20 CBGD C[C@H](NC(=O)c1ccc(B(O)O)cc1)[C@H]1CCOC1 584951355 OJGMTQQVFYBVAS-ONGXEEELSA-N 263.102 -0.479 50 20 CBGD COCC[C@](C)(O)CNC(=O)c1ccc(B(O)O)c(F)c1 584955018 RCOJFDQAYATNSD-ZDUSSCGKSA-N 299.107 -0.977 50 20 CBGD O=C(NCCC1=CCOCC1)c1ccc(B(O)O)cc1 584966062 VUPXDYQVBMSZQA-UHFFFAOYSA-N 275.113 -0.167 50 20 CBGD Cn1ccnc1[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584967036 PMUCINUAWKUNIY-LBPRGKRZSA-N 299.139 -0.270 50 20 CBGD CC(C)(CCO)NC(=O)c1ccc(B(O)O)cc1 584967864 NWCVUZBKKUYLSK-UHFFFAOYSA-N 251.091 -0.743 50 20 CBGD CCCN1CC[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 585005441 HLKPCPDCZIBBGJ-LLVKDONJSA-N 294.135 -0.280 50 20 CBGD C[C@@H](Cn1cnnc1)NCc1cccc(B(O)O)c1 585031086 QBATZLCORNATDN-JTQLQIEISA-N 260.106 -0.864 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1)C(=O)N1CCCC1 585039484 RYWOIEFAESEWJL-NSHDSACASA-N 276.145 -0.533 50 20 CBGD O=C(NCB(O)O)[C@@H]1CSCN1C(=O)C1CCCC1 585059498 PPDFTUNFRYQQAY-VIFPVBQESA-N 286.162 -0.794 50 20 CBGD NS(=O)(=O)C[C@@H]1CCN(S(=O)(=O)CCl)C1 725490847 RRFTYIBHQJSMHG-ZCFIWIBFSA-N 276.767 -0.877 50 20 CBGD CCOCC(C)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 726419900 HWBMROPFMHPYGC-SECBINFHSA-N 277.346 -0.115 50 20 CBGD Cc1nnc(NNC(=O)CNC(=O)CCC(C)C)nc1O 727484875 WVLKSQZNMBZZHR-UHFFFAOYSA-N 296.331 -0.119 50 20 CBGD CC(C)C(=O)NNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 729503048 CMMQUBKCPXLFPK-WDEREUQCSA-N 284.360 -0.164 50 20 CBGD CNC(=O)NNC(=O)COc1ccc(C=O)cc1OC 731617581 QABQCNOVWOABTK-UHFFFAOYSA-N 281.268 -0.153 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCCN(C(C)=O)CC1 732196547 AGCIJRUTVXBRNG-SNVBAGLBSA-N 284.360 -0.514 50 20 CBGD O=C(CN1CCC(CCO)CC1)NNC(=O)C1CC1 733197737 BBTZWZKVSQRNJH-UHFFFAOYSA-N 269.345 -0.362 50 20 CBGD Cc1[nH]c(C(=O)NNC(=O)CN(C)C)c(C)c1C(=O)O 738157957 UNPSFWLOAMQNCH-UHFFFAOYSA-N 282.300 -0.348 50 20 CBGD CCCCNC(=O)NNC(=O)C(C)(C)NS(C)(=O)=O 742053265 GDEKOKZNTLBSPC-UHFFFAOYSA-N 294.377 -0.555 50 20 CBGD Cn1nnnc1SCCC(=O)NNc1ncc(F)cn1 760907583 WZAJCRFFYNFHIE-UHFFFAOYSA-N 298.307 -0.235 50 20 CBGD CNC(=O)NCC(=O)NNc1ccccc1[N+](=O)[O-] 761139738 XINNBUPTPRYCMG-UHFFFAOYSA-N 267.245 -0.033 50 20 CBGD CCNC(=S)NNC(=O)CNC(=O)c1cccnc1 763164073 LOEHPXBYCRTJGK-UHFFFAOYSA-N 281.341 -0.673 50 20 CBGD CSCCNC(=S)NNC(=O)[C@H](C)S(C)(=O)=O 770245606 GHTOFWUNSTZREW-LURJTMIESA-N 299.443 -0.722 50 20 CBGD CC(C)[C@@](C)(O)C(=O)NNC(=O)c1cnn(C)c1 771369950 SHDWQXVCMIUSSW-LLVKDONJSA-N 254.290 -0.412 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H](CCO)C(C)C 771786239 RCRZGLSVOMYDQV-UWVGGRQHSA-N 259.350 -0.071 50 20 CBGD COc1cc(C(=O)NNC(=O)c2cccnc2)nn1C 771845377 ISTKLOBACOEYKD-UHFFFAOYSA-N 275.268 -0.102 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)/C=C\c1cnn(C)c1 771950590 ZJXISDMDJYRLSN-UDIARPCQSA-N 294.311 -0.078 50 20 CBGD C[C@@H]1CCN(S(=O)(=O)NNC(=O)NCC2CC2)C1 777929447 WNBNEJUXLRNYMZ-MRVPVSSYSA-N 276.362 -0.213 50 20 CBGD Cc1cnn(C)c1S(=O)(=O)NNC(=O)C(C)C 795282807 IGZBRXOKAKHSEG-UHFFFAOYSA-N 260.319 -0.306 50 20 CBGD O=C(CN1CCCCC1=O)NNC(=O)NCC(F)(F)F 798316776 UZHGFAJUBZJUCP-UHFFFAOYSA-N 296.249 -0.108 50 20 CBGD Cc1cccc(C(=O)NNC(=O)c2cnnn2C)n1 798509430 OGUVQONYFMKRAI-UHFFFAOYSA-N 260.257 -0.407 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)Nc1ccc(OC)cc1 802062887 UXNRKMGPZOYGIB-UHFFFAOYSA-N 295.299 -0.223 50 20 CBGD CCN(CCO)NC(=O)[C@H](OC)c1cnn(C)c1 823884981 QVSURMSEWSRTFH-SNVBAGLBSA-N 256.306 -0.547 50 20 CBGD CCCN1C[C@@H](C(=O)NNC(=O)c2cnn(C)c2)CC1=O 839686952 TTXCGLDSXKNCQA-VIFPVBQESA-N 293.327 -0.560 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 844620198 SEIKMOWBAJJPTL-WCBMZHEXSA-N 285.344 -0.279 50 20 CBGD O=C(NNc1ncc(F)cc1F)[C@H]1CCS(=O)(=O)N1 846252215 WCBGUKFMWNBJGS-SSDOTTSWSA-N 292.267 -0.505 50 20 CBGD CC(C)(C)OC(=O)c1ccc(C(=O)NNC(=O)CO)cn1 846636630 NOKMGIILFKMEJU-UHFFFAOYSA-N 295.295 -0.210 50 20 CBGD Cc1nn(CC(=O)NNC(=O)CC2CCCC2)c(=O)n1C 848369363 KKWMHWYZVNIMTM-UHFFFAOYSA-N 295.343 -0.382 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccnc2c1nnn2C 854920277 ASXQXNGOLDEISB-UHFFFAOYSA-N 279.329 -0.556 50 20 CBGD CN(NC(=O)CNS(=O)(=O)c1ccccc1N)C1CC1 854984530 DCUSFCAKRQRZRI-UHFFFAOYSA-N 298.368 -0.328 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cccc(F)n2)N1 856421763 FWQVJQXOESALTP-ZETCQYMHSA-N 266.232 -0.740 50 20 CBGD C[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858198588 VDLSUYMQSYBPOU-VGMNWLOBSA-N 268.317 -0.216 50 20 CBGD C[C@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)N(C)C1CC1 858283904 USZYVQLQLABASZ-PSASIEDQSA-N 297.359 -0.922 50 20 CBGD O=C(NC[C@H]1COCCN1)NNc1ncc(F)cc1F 861687600 UQPLHIUPENTWNG-QMMMGPOBSA-N 287.270 -0.026 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 862095842 QJCUORSTRZGKJK-XKNYDFJKSA-N 283.328 -0.527 50 20 CBGD O=C(NNC(=O)C1(O)CCSCC1)c1cn[nH]c1 862471866 BCLZKWAQCBGTSF-UHFFFAOYSA-N 270.314 -0.571 50 20 CBGD CC(=O)NNS(=O)(=O)c1cc(C(F)(F)F)nn1C 863399542 MEXLZJSFPAOMMR-UHFFFAOYSA-N 286.235 -0.232 50 20 CBGD CCCN(CC(=O)OC)C(=O)c1cc(B(O)O)ccc1F 863880015 KSTADUSQDYRDGP-UHFFFAOYSA-N 297.091 -0.469 50 20 CBGD CCS(=O)(=O)CC(C)=NNC(=O)COCCOC 872403407 SOABAQODOZQBSL-UHFFFAOYSA-N 280.346 -0.424 50 20 CBGD O=C(CNCc1cccc(B(O)O)c1)NC1CCCC1 877010127 MJVGJQISHXYZIP-UHFFFAOYSA-N 276.145 -0.485 50 20 CBGD COC(=O)C12CC(C(=O)NN(C)C[C@@H](C)O)(C1)C2 910147732 SQLSIPOPHCRQEG-HUUUCTMMSA-N 256.302 -0.327 50 20 CBGD CC[C@H](CO)C(=O)NNC(=O)C(=O)Nc1ccccn1 1119530414 ZNLABHPOQDFRPO-MRVPVSSYSA-N 280.284 -0.814 50 20 CBGD Cn1c(C(=O)N2CC[C@H](B(O)O)C2)cnc1Cl 1119541501 YUTZHAVEFLZNPY-LURJTMIESA-N 257.486 -0.238 50 20 CBGD Cc1ncc2n1C[C@H](C(=O)N1CC[C@@H](B(O)O)C1)CC2 1119606205 AIMMBWXSCOUSEM-GHMZBOCLSA-N 277.133 -0.171 50 20 CBGD C[C@H]1COCCCN1C(=O)NNC(=O)c1cn[nH]c1 1261792213 QBZKWFVYJHMMBN-QMMMGPOBSA-N 267.289 -0.125 50 20 CBGD CC(=O)NNS(=O)(=O)c1cc(C2CC2)nn1C 1262482280 YBLUHWWVZFCIOA-UHFFFAOYSA-N 258.303 -0.373 50 20 CBGD C#Cc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)nc1 1318256916 XCFSMNATQZQMBG-UHFFFAOYSA-N 274.280 -0.652 50 20 CBGD CNC(=O)C1(C(=O)NNC(=S)NC(C)C)CCC1 1318299613 ANWMGLWUQNMMPH-UHFFFAOYSA-N 272.374 -0.194 50 20 CBGD NC(=O)C(=O)NN=C1CCC(O)(C(F)(F)F)CC1 1318544034 IRSXMBMKKRVGBY-UHFFFAOYSA-N 267.207 -0.189 50 20 CBGD CC(C)(C)OCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1320144207 TZDIWCCUHXMDTC-MRVPVSSYSA-N 292.357 -0.616 50 20 CBGD CN(NC(=O)c1ccc(CS(N)(=O)=O)cc1)C(N)=O 1323534191 JKNPORSRRIDDOE-UHFFFAOYSA-N 286.313 -0.870 50 20 CBGD COC(=O)N(C)NC(=O)c1cnn2c(=O)cc[nH]c12 1328061784 VNASHIFACJJCBN-UHFFFAOYSA-N 265.229 -0.634 50 20 CBGD COc1ccnc(C(=O)N2CC[C@@H](B(O)O)C2)c1 1329216528 XRIOAUIVRQRCDQ-MRVPVSSYSA-N 250.063 -0.221 50 20 CBGD O=C(CC[C@H]1NC(=O)NC1=O)NNc1ncccc1F 1329292928 UFAXIOIYVMBVIU-SSDOTTSWSA-N 281.247 -0.348 50 20 CBGD O=C(CN1CC[C@@H]2NC(=O)CC[C@@H]2C1)NNC(=O)C1CC1 1330576771 PEQLZNWINUTYNQ-MNOVXSKESA-N 294.355 -0.856 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ocnc2C2CC2)N1 1331802982 JXRCHBHREIZTEN-SSDOTTSWSA-N 278.268 -0.408 50 20 CBGD Cn1nc(C(F)(F)F)cc1NC(=O)NNC(=O)CCO 1333908557 QWQHGNQXUUVMLX-UHFFFAOYSA-N 295.221 -0.026 50 20 CBGD CCn1ccnc1C=NNC(=O)[C@H]1CCS(=O)(=O)C1 1335767447 AVXDJGPXIRYALY-VIFPVBQESA-N 284.341 -0.212 50 20 CBGD C[C@]1(CCCC(=O)NN=c2cc[nH]cc2)NC(=O)NC1=O 1342036965 OZBDFMVWERSISF-CYBMUJFWSA-N 291.311 -0.285 50 20 CBGD CC(C)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 1343847257 VPEKZZLJZHHVEG-QMMMGPOBSA-N 251.290 -0.356 50 20 CBGD Cc1onc(CO)c1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1346482155 VKJUBAHVDKMUCS-SVRRBLITSA-N 283.284 -0.339 50 20 CBGD COC(=O)[C@H]1C[C@@H](C(=O)NNC(=O)Cc2cccnc2)C1 1353566183 XPGXLSVWGTUWCW-PHIMTYICSA-N 291.307 -0.029 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](CN)C1CC1 1579053778 SMPZWACEXNTRTA-SCZZXKLOSA-N 288.348 -0.894 50 20 CBGD C=CCCn1cc(C=NNC(=O)NCC(=O)O)nn1 1588817148 AERAMJZOPKMLJE-UHFFFAOYSA-N 266.261 -0.428 50 20 CBGD O=C(O)[C@@H]1CC[C@H](C(=O)NNC(=O)[C@@H]2CCCS2)O1 1601556418 XYFSXCAUIJISPP-CSMHCCOUSA-N 288.325 -0.338 50 20 CBGD Cn1nc(NC(=O)NNC(=O)[C@H]2CCCO2)cc1C(=O)O 1608150539 BTUSRLITZVXCPO-SSDOTTSWSA-N 297.271 -0.550 50 20 CBGD Cn1cc(C(=O)NN=Cc2c(C(=O)O)cnn2C)nn1 1776092552 RPIPKFRCIONDMV-UHFFFAOYSA-N 277.244 -0.989 50 20 CBGD C[C@@H](C(=O)O)N(C)CC(=O)NNC(=O)c1cccs1 54068696 OQCIOWJPQHQZQU-ZETCQYMHSA-N 285.325 -0.086 50 20 CBGD CC(C)CCC(=O)NCC(=O)NNC(=O)CN(C)C 113425200 XKJJSQZGKWTTFE-UHFFFAOYSA-N 272.349 -0.752 50 20 CBGD CCNS(=O)(=O)c1ccc(C)c(C(=O)NN)c1 171733614 OJJAJGBBFWVKDG-UHFFFAOYSA-N 257.315 -0.103 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2COCCN2)n1 269210304 GTEHLXBEAWIMFV-MRVPVSSYSA-N 267.289 -0.775 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCCC(=O)N2)n1 270199919 FSAOKGSYDYFYQH-JTQLQIEISA-N 293.327 -0.684 50 20 CBGD CCOC(=O)C(C)(C)C(=O)NNC(=O)N1CCOCC1 270761515 QKHMGELBVUGNHO-UHFFFAOYSA-N 287.316 -0.351 50 20 CBGD CC(C)(O)C(=O)NNC(=O)C(=O)Nc1ccccc1 276221523 IIDIWLDQPRUPSX-UHFFFAOYSA-N 265.269 -0.457 50 20 CBGD COC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc[nH]2)O1 289292264 BGKSOWKTAONVLL-DTWKUNHWSA-N 281.268 -0.504 50 20 CBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@@H]1CCCO1 292268793 ZIMVWSMYDWCUFF-RNJXMRFFSA-N 256.258 -0.878 50 20 CBGD CC[C@@H](C(=O)NNC(=O)[C@@H]1CCCO1)C(=O)OC 294178373 WNZDXAYGJFAWGX-YUMQZZPRSA-N 258.274 -0.488 50 20 CBGD COC(=O)N(C)NC(=O)[C@H]1CCc2nnnn2CC1 496759954 POZAQXFWBAPSNY-ZETCQYMHSA-N 268.277 -0.645 50 20 CBGD CO[C@@H](CNC(=O)c1cccc(B(O)O)c1)C(C)C 584954339 HFFJEHAVZDYHBQ-LBPRGKRZSA-N 265.118 -0.233 50 20 CBGD O=C(N[C@@H]1CCCC[C@H]1O)c1ccc(B(O)O)c(F)c1 584965837 UJHPUWOUMMTSHS-VXGBXAGGSA-N 281.092 -0.461 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCOC2(CCC2)C1 584969185 RKUBKDDSKYRMPL-UHFFFAOYSA-N 275.113 -0.239 50 20 CBGD COC[C@H](NC(=O)c1cccc(B(O)O)c1)[C@@H]1CCCO1 584983978 SEKSVMKSHFWQAJ-STQMWFEESA-N 293.128 -0.710 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCCOCC12CC2 584988470 ONTFRQXDDVBUFH-UHFFFAOYSA-N 275.113 -0.239 50 20 CBGD N#CC1(CNC(=O)c2cccc(B(O)O)c2)CCC1 585001627 ZQIYNYVGFLBICR-UHFFFAOYSA-N 258.086 -0.210 50 20 CBGD CCS(=O)(=O)C[C@@H](C)NCc1cccc(B(O)O)c1 585023230 FDBCTOWGOPLTLF-SNVBAGLBSA-N 285.174 -0.721 50 20 CBGD Cc1ccc([C@](C)(O)CNCc2ccc(B(O)O)o2)o1 585029768 UEFXQNIDYITEEY-CYBMUJFWSA-N 279.101 -0.142 50 20 CBGD O=C(NCB(O)O)c1cnn2cccc(Cl)c12 585063354 YGTLKNDFCBFOOX-UHFFFAOYSA-N 253.454 -0.271 50 20 CBGD CNC(=O)NNC(=O)CNC(=O)c1ccc(C#N)cc1 726986452 DAEORPHSIQKAJR-UHFFFAOYSA-N 275.268 -0.752 50 20 CBGD Cc1ccc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)o1 728437556 UHHBMWFZYPHMKI-QMMMGPOBSA-N 273.314 -0.024 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H](C)Cn1cccn1 731280457 YRDYJUXPAZACBV-VIFPVBQESA-N 269.305 -0.362 50 20 CBGD CCNC(=O)NNC(=O)CCCCN1CCOCC1 732062224 CTLRYZMDWRCSQN-UHFFFAOYSA-N 272.349 -0.161 50 20 CBGD CCn1cc(C(=O)NNC(=O)c2cnn(C)c2)cn1 735443619 GOMJIJIYSYWODZ-UHFFFAOYSA-N 262.273 -0.289 50 20 CBGD CCCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cn1 736488747 SBUUZBXBMRLEAM-UHFFFAOYSA-N 290.287 -0.384 50 20 CBGD Cc1c(C(=O)NNC(=O)c2cc([N+](=O)[O-])c[nH]2)nnn1C 741661964 JVQXJATWARDNHY-UHFFFAOYSA-N 293.243 -0.565 50 20 CBGD COCCCNC(=O)NNS(=O)(=O)N1CCCCC1 742028202 CTAPDSIODNENHW-UHFFFAOYSA-N 294.377 -0.443 50 20 CBGD COc1cc(C=NNC(=O)C(=O)NC2CC2)cc(O)c1O 744827476 JQZCKZSNMXVVCS-UHFFFAOYSA-N 293.279 -0.165 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1CC(=O)N(C2CC2)C1 745988260 WMXROEYSUSMJMX-SECBINFHSA-N 296.327 -0.930 50 20 CBGD CC(C)(C)C(=O)NCC(=O)NNC(=O)Cc1ccncc1 747429272 KGSWHKIADQQHOV-UHFFFAOYSA-N 292.339 -0.066 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1ccc(O)cc1 753000024 BCSUNWHRRQXVJN-UHFFFAOYSA-N 279.296 -0.393 50 20 CBGD CCOc1nc2sccn2c1C=NNC(=O)C(N)=O 753922429 REKMCKVYSOAFIH-UHFFFAOYSA-N 281.297 -0.270 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc(C2CC2)nn1 757699684 JMQOYCJZKIKVRZ-UHFFFAOYSA-N 251.246 -0.501 50 20 CBGD N#Cc1cc(Cl)nc(NNC(=O)C2=NNC(=O)C2)c1 768707898 SARFCVUXLMMNAZ-UHFFFAOYSA-N 278.659 -0.074 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)c2ccc(Cl)nc2)C1=O 772211035 DQXCSPMGRBCGSO-MRVPVSSYSA-N 296.714 -0.026 50 20 CBGD O=C(CO)NNC(=O)COc1ccc2ccc(=O)oc2c1 777781735 CXYSKDQGHLHTQB-UHFFFAOYSA-N 292.247 -0.689 50 20 CBGD CN1CCN(CC(=O)NNc2ncncc2Cl)CC1=O 781833296 FJOOEYJRQIONGX-UHFFFAOYSA-N 298.734 -0.653 50 20 CBGD C[C@H]1C(=O)CC[C@@H](C(=O)NNC(=O)CO)C1(C)C 781967214 AINFTFFKEMJMLM-YUMQZZPRSA-N 256.302 -0.233 50 20 CBGD O=C(CC1OCCCO1)NNC(=O)c1ccncc1 792763664 QTFPRXMVHBPUHD-UHFFFAOYSA-N 265.269 -0.004 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)C[C@H](CC)OC 817138628 PGXGCJIIEPKXNW-QMMMGPOBSA-N 267.351 -0.093 50 20 CBGD C[C@](C#N)(CC(=O)O)C(=O)NNC(=O)c1ccc[nH]1 819846984 IZWKGUBVMOGPKA-LLVKDONJSA-N 264.241 -0.220 50 20 CBGD COC(=O)N(C)CCNC(=O)NNc1ncccn1 822798596 XTQUYEGKLXTDDL-UHFFFAOYSA-N 268.277 -0.199 50 20 CBGD CNC(=O)NNC(=O)[C@H](CS(C)(=O)=O)c1ccccc1 823429692 CJCCKIWQBZMPAJ-SNVBAGLBSA-N 299.352 -0.225 50 20 CBGD CN(NC(=O)/C=C\c1ccccc1-c1nn[nH]n1)C(N)=O 826004349 TZJOTINJEFJEIH-SREVYHEPSA-N 287.283 -0.078 50 20 CBGD O=C(NNC(=O)c1ccc[nH]1)c1c[nH]c(-c2nn[nH]n2)c1 826445201 KNEUMVNYROSGCS-UHFFFAOYSA-N 286.255 -0.402 50 20 CBGD CCOC(=O)[C@H](CC)C(=O)NNC(=O)C(C)(C)O 840432520 HRMJJVLDFGXUTP-SSDOTTSWSA-N 260.290 -0.506 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@@H]1CCOC1 843654117 ZDQNPQPELKENLM-LPEHRKFASA-N 256.302 -0.015 50 20 CBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@H](O)C2CC2)cc1 854192852 JUMWIHRDIABJGI-CYBMUJFWSA-N 289.291 -0.145 50 20 CBGD O=C(NNC(=S)NCC1CCC1)C1(n2cnnn2)CC1 855093632 ICAHBIPFUGJWMF-UHFFFAOYSA-N 295.372 -0.542 50 20 CBGD O=C(NNC(=O)C(F)(F)C1(O)CCC1)c1cc[nH]n1 855357624 NHIBONMRTOZOEC-UHFFFAOYSA-N 274.227 -0.279 50 20 CBGD COC[C@@]1(C)CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858699961 BCIAYAZAYWLTRE-ZANVPECISA-N 298.343 -0.636 50 20 CBGD CC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)Cc1cc[nH]n1 859253026 VNXBUOYYWZZMEK-LLVKDONJSA-N 295.343 -0.350 50 20 CBGD Cc1noc(C)c1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 860555153 HHUWKDADFZDVQF-SSDOTTSWSA-N 281.272 -0.277 50 20 CBGD O=C(CSc1ccncc1)NNC(=O)[C@@H]1CCC(=O)N1 862450236 YBGZTVKSCDBSSB-VIFPVBQESA-N 294.336 -0.400 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc(F)c[nH]2)N1 862459680 ABXQGXLQNZTWBW-LURJTMIESA-N 254.221 -0.807 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1CCCSC1 863466585 VYTRNXZIIQOQKA-SSDOTTSWSA-N 280.371 -0.678 50 20 CBGD O=C(CNC(=O)c1cccc(B(O)O)c1)OCC1CC1 863871797 BXBOZQOLDJWQPI-UHFFFAOYSA-N 277.085 -0.951 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCc2cn[nH]c2)n[nH]1 863898319 LFNQXGMJKWAONX-UHFFFAOYSA-N 262.273 -0.165 50 20 CBGD CCOC(=O)NNC(=O)/C=C1\SCC(=O)N1C 873742162 REJHSAAFDQTQOR-YWEYNIOJSA-N 259.287 -0.190 50 20 CBGD COC(=O)N(C)NC(=O)NCCNC(=O)C(C)C 875005775 BZWARETZHHEYBA-UHFFFAOYSA-N 260.294 -0.329 50 20 CBGD CN1CCO[C@@H](C(=O)NNc2ccc(C#N)cn2)C1 899662424 UYHLUWZYTCXNAT-SNVBAGLBSA-N 261.285 -0.273 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCc2c[nH]nc2C1 910164021 QOHPROYVBACNAH-RKDXNWHRSA-N 252.318 -0.142 50 20 CBGD CCC(=O)N1CCC[C@@H](C(=O)NN(C)C[C@H](C)O)C1 910169419 DFRATHCABOUGFW-WDEREUQCSA-N 271.361 -0.021 50 20 CBGD O=C1CN(CC(=O)NNc2ccnc(Cl)c2)CCN1 912394833 GKRFIMGXRWCIDN-UHFFFAOYSA-N 283.719 -0.390 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)CC1(O)CCCC1 913731162 XBDSHXGHPJARRV-UHFFFAOYSA-N 283.328 -0.549 50 20 CBGD CCCCC[C@@H](O)C(=O)NNC(=O)CN1CCCC1=O 913733800 WDHVPTBJOSNMIQ-SNVBAGLBSA-N 285.344 -0.303 50 20 CBGD CCS(=O)(=O)NCCNC(=O)NNC(=O)C(C)(C)C 916516242 HEXFZPALYXVRMQ-UHFFFAOYSA-N 294.377 -0.698 50 20 CBGD COCCOCCC(=O)NNC(=O)Cn1nc(C)cc1C 920341037 ZQUNOIUTVZGWCQ-UHFFFAOYSA-N 298.343 -0.300 50 20 CBGD O=C(N=S1(=O)CCCC1)c1cc(B(O)O)ccc1F 925940968 WXDQWTQJUTYIPM-UHFFFAOYSA-N 285.105 -0.093 50 20 CBGD O=C(NNC(=O)C1CCOCC1)c1cc2n(n1)CCO2 1262107489 NQDAZRRAHRVNNJ-UHFFFAOYSA-N 280.284 -0.537 50 20 CBGD O=C(CN1C(=O)CCC1=O)NNC(=O)c1ccccc1 1317707997 OUGOBSMBXWSXND-UHFFFAOYSA-N 275.264 -0.403 50 20 CBGD CNC(=O)NNC(=O)c1cccc(CS(N)(=O)=O)c1 1318166933 MLGMELQYHPQBEM-UHFFFAOYSA-N 286.313 -0.951 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1cnn(CCOC)c1 1324265490 DXOCVPDKOYMLNN-UHFFFAOYSA-N 291.333 -0.958 50 20 CBGD N#Cc1ncn(CC(=O)NNc2nc3ccccn3n2)n1 1324516283 HNAFTLOLWJYRCG-UHFFFAOYSA-N 283.255 -0.664 50 20 CBGD COc1cncc(C(=O)NNc2ncnc3[nH]cnc23)n1 1324533498 NXWBFWBSKMNIBQ-UHFFFAOYSA-N 286.255 -0.092 50 20 CBGD O=C(NCCOCC(F)(F)F)NNC(=O)c1cn[nH]c1 1328763905 HHANQNIDMZIACV-UHFFFAOYSA-N 295.221 -0.067 50 20 CBGD C[C@@H](NNC(=O)[C@H]1CCS(=O)(=O)C1)C(F)(F)F 1329064275 VRAFEUOOBHXBQG-RITPCOANSA-N 274.264 -0.007 50 20 CBGD O=C(NC1CC1)C1(C(=O)N2CC[C@@H](B(O)O)C2)CCC1 1329673002 URGFETVADURHKW-SECBINFHSA-N 280.133 -0.489 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@@H]1CCOC(=O)N1 1331480881 NDZXNZCKLNCKLJ-VIFPVBQESA-N 278.268 -0.730 50 20 CBGD O=C(/C=C/[C@H]1CCOC1)NNC(=O)CN1CCCC1=O 1332229115 QXHKJHYEJSLYIF-FSIBCCDJSA-N 281.312 -0.651 50 20 CBGD C[C@@H](C[C@H]1CCOC1)NC(=O)NNC(=O)C(=O)NC1CC1 1332887899 BENQLSCLOWRNDD-DTWKUNHWSA-N 298.343 -0.590 50 20 CBGD CN(C)c1ncc(C=NNC(=O)[C@@H]2CCC(=O)N2)cn1 1335347301 NIZKBLFERVWQTA-VIFPVBQESA-N 276.300 -0.729 50 20 CBGD Cc1cc(C=NNC(=O)CS(C)(=O)=O)n(C)n1 1335347414 QNZYFBQHXBWNOW-UHFFFAOYSA-N 258.303 -0.777 50 20 CBGD CCNC(=O)NNC(=O)Cc1nc2ncccn2n1 1337858473 IMURDZPNOSOCDG-UHFFFAOYSA-N 263.261 -0.983 50 20 CBGD NC(=O)c1ccc(NNC(=O)c2c[nH]nc2C2CC2)nn1 1343525741 IWZOJVWJSICSFU-UHFFFAOYSA-N 287.283 -0.067 50 20 CBGD C[C@@H](CN)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C 1575975579 CTSHHLYUQMWTCL-VIFPVBQESA-N 286.376 -0.329 50 20 CBGD COc1ccccc1C(=O)NNC(=O)C[C@@H](O)CN 1579297371 XYOBUBOVQYBAAP-MRVPVSSYSA-N 267.285 -0.834 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@H](N)CC(F)F)n[nH]1 1579589361 GHHCRYQJVNARQT-ZETCQYMHSA-N 275.259 -0.609 50 20 CBGD Cc1c(C(=O)NNC(=O)[C@H](C(=O)O)C(C)C)nnn1C 1594256553 BPQXRPPFSKFYTQ-SSDOTTSWSA-N 283.288 -0.759 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cc(C(=O)O)on1 1601553726 RWZRMPQWNPDXQE-UHFFFAOYSA-N 284.228 -0.941 50 20 CBGD O=C1N[C@H](C(=O)NNc2ccccc2C(=O)O)CO1 1602659582 UBNNVBIOTKCWSC-QMMMGPOBSA-N 265.225 -0.064 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1C[C@@H](C(=O)O)C1 1604833156 AZBMNZHOYHFQDG-LURQLKTLSA-N 270.285 -0.330 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2C[C@@H](C(=O)O)C2)nc1O 1608018565 KLGLBZKJTMUGGE-OLQVQODUSA-N 267.245 -0.560 50 20 CBGD O=C(NNC(=O)c1cc(C(=O)O)on1)c1ccncc1 1608478957 CGUGVTSSHRKIDQ-UHFFFAOYSA-N 276.208 -0.157 50 20 CBGD COCCCNC(=O)NN=Cc1cc(C(=O)O)nn1C 1776039349 LXDXBCHMGLKVSG-UHFFFAOYSA-N 283.288 -0.212 50 20 CBGD CC(=O)NNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 45826732 MFXMMIHYXHPPCB-ZETCQYMHSA-N 294.267 -0.120 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 48952887 FWQNKIYAVRTMRZ-MRVPVSSYSA-N 291.373 -0.060 50 20 CBGD CC(=O)NCC(=O)NNC(=O)c1ccc(C#N)cc1 194532206 MHHCDONTGFWAHP-UHFFFAOYSA-N 260.253 -0.545 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)NC(C)C)c(C)n1C 263824430 RIVGCCVYHUUNGZ-UHFFFAOYSA-N 280.328 -0.072 50 20 CBGD O=C(NNC(=O)[C@@H]1COCCO1)c1cccc(F)n1 270694295 ANMSBYRIUMXAFL-QMMMGPOBSA-N 269.232 -0.603 50 20 CBGD CC(C)(C(=O)NNC(=O)C(=O)NC1CC1)C1CC1 286959420 DEPKGDBELSIACE-UHFFFAOYSA-N 253.302 -0.151 50 20 CBGD O=C(CC1CC1)NNC(=O)c1cnc2n(c1=O)CCS2 294039108 DVCMQVZHKJXHEQ-UHFFFAOYSA-N 294.336 -0.090 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1OC[C@@H]2COCC[C@H]21 584910719 DCFZQSYGAMMCCY-ZWKOPEQDSA-N 291.112 -0.644 50 20 CBGD COC[C@@H](C)N(C)C(=O)c1cc(B(O)O)ccc1F 584932772 YOYVXJGCUMCONR-MRVPVSSYSA-N 269.081 -0.388 50 20 CBGD COCCN(C(=O)c1cccc(B(O)O)c1)[C@@H](C)COC 584946250 PYRNNJCEEPDELO-NSHDSACASA-N 295.144 -0.510 50 20 CBGD CC(C)[C@](C)(O)CNC(=O)c1cccc(B(O)O)c1 584954983 QSMHVLVCOMWFBE-CYBMUJFWSA-N 265.118 -0.497 50 20 CBGD CC1(NC(=O)c2cccc(B(O)O)c2)CCOCC1 584965891 TZWGEOPSHHYENR-UHFFFAOYSA-N 263.102 -0.335 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)CCO1 584969291 KRJQTPYMYXZJKS-SKDRFNHKSA-N 263.102 -0.336 50 20 CBGD CC1=CCN(CCNC(=O)c2ccc(B(O)O)cc2)CC1 584973818 CTCDJPSQDYEDQN-UHFFFAOYSA-N 288.156 -0.252 50 20 CBGD O=C(NCc1nnc(C2CC2)o1)c1cccc(B(O)O)c1 584977876 SSZLJGLSIGTMCQ-UHFFFAOYSA-N 287.084 -0.443 50 20 CBGD O=C(NC[C@H]1[C@@H]2COC[C@H]12)c1cc(B(O)O)ccc1F 584989046 KEXMIFALISGRBQ-RTCCRHLQSA-N 279.076 -0.872 50 20 CBGD CC[C@H](NCc1ccc(B(O)O)o1)c1noc(C)n1 585025689 AGLBPNZIPDXPPH-VIFPVBQESA-N 265.078 -0.108 50 20 CBGD C[C@H]1CCCN1CCNCc1ccc(B(O)O)cc1 585033662 INLAGTROUUUCSL-LBPRGKRZSA-N 262.162 -0.060 50 20 CBGD C[C@H](O)C[C@@H](C)NCc1ccc(B(O)O)cc1F 585034769 LUHDXEKOUDNDOH-BDAKNGLRSA-N 255.098 -0.246 50 20 CBGD CCNC(=O)C1(CNCc2ccc(B(O)O)cc2)CCC1 585038262 YEULNYLCKIJQLI-UHFFFAOYSA-N 290.172 -0.238 50 20 CBGD O=C(COc1cccc(NC(=O)C2CC2)c1)NCB(O)O 585062967 XUZUUIZKGQYNOB-UHFFFAOYSA-N 292.100 -0.458 50 20 CBGD CO[C@H](C)CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 728162521 ZCJUMUVVLPSSEP-ZJUUUORDSA-N 278.374 -0.096 50 20 CBGD CC(C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cn1 735684724 IIQSKJVAWOLJLQ-UHFFFAOYSA-N 275.272 -0.321 50 20 CBGD O=C(C[C@H]1CCCO1)NNC(=O)N1CCOCC1 745986440 VBGDHFBXOQTURZ-SECBINFHSA-N 257.290 -0.372 50 20 CBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)CN(C)C)CCC1=O 764106208 RWKKDRSGPPMEJI-BDAKNGLRSA-N 255.318 -0.299 50 20 CBGD Cc1cc(NNC(=O)[C@H]2CN3CCCN2CC3)ncn1 764270635 FKIOPUHFSDTERC-LLVKDONJSA-N 276.344 -0.382 50 20 CBGD COc1nccnc1NNC(=O)c1ccn(C)c(=O)c1 764460817 PNQMRMPXBOEXNP-UHFFFAOYSA-N 275.268 -0.059 50 20 CBGD O=C(NNC(=O)[C@@H](O)c1cccnc1)c1ccncc1 764581665 WOWKAAJHVPNQET-NSHDSACASA-N 272.264 -0.029 50 20 CBGD CCN1C[C@@H](C)N(CC(=O)NNC(=O)C2CC2)C[C@@H]1C 766252534 HFYDTKODBKGKEJ-WDEREUQCSA-N 282.388 -0.042 50 20 CBGD CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)C(=O)NC(C)C 771929481 PNNBFYUTCJFCPO-VIFPVBQESA-N 286.376 -0.175 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCCCN1C 772141539 GKKWLRQIJKAEEO-NXEZZACHSA-N 285.344 -0.040 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(CC)COC1 772187574 VCSHWRKWHGXZOH-MRVPVSSYSA-N 272.301 -0.098 50 20 CBGD C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC=C(C#N)CC1 774911433 DCTSAIWJSCGLKW-VIFPVBQESA-N 271.342 -0.051 50 20 CBGD CCn1nccc1C(=O)NNC(=O)c1cnn(C)c1 775861524 YQLTXUWSMAQJCP-UHFFFAOYSA-N 262.273 -0.289 50 20 CBGD CCn1cc(-c2n[nH]cc2C(=O)NN(C)C(N)=O)cn1 779041561 UPBQFQWQTPUTCA-UHFFFAOYSA-N 277.288 -0.052 50 20 CBGD CN(C)N(C(=O)[C@@H](O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 792849718 LEQUMZVVSGVCRW-NXEZZACHSA-N 292.401 -0.114 50 20 CBGD CN(C)N(C(=O)C1CC(=O)C1)[C@H]1CCS(=O)(=O)C1 792851230 UMIGJEUXMLROIE-VIFPVBQESA-N 274.342 -0.542 50 20 CBGD Cn1cnc(C(=O)NNC(=O)c2cccc(C#N)c2)n1 810346996 MYBOHGYWEHRXEB-UHFFFAOYSA-N 270.252 -0.238 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(C(=O)OC)[nH]1 814626825 RGDRCVKNUALHGF-UHFFFAOYSA-N 254.246 -0.235 50 20 CBGD CC(C)c1nn(C)cc1C(=O)NNC(=O)CN(C)C 819876519 WOBTVOLDRXNSNP-UHFFFAOYSA-N 267.333 -0.134 50 20 CBGD C[C@]1(C(=O)NNC(=O)CC(F)(F)F)CCNC1=O 823829469 UEJLOMPDBQDINR-QMMMGPOBSA-N 267.207 -0.388 50 20 CBGD C[C@@H](C(=O)NN(C)[C@@H](C)CO)N1CCSCC1 823947234 UVKFYMFHKVHKMD-UWVGGRQHSA-N 261.391 -0.233 50 20 CBGD CO[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1cnn(C)c1 843653050 CZFXWLAZXFQLBR-MIMYLULJSA-N 296.327 -0.320 50 20 CBGD O=C(Cn1nc2n(c1=O)CCCC2)NN=c1cc[nH]cc1 845926605 HRCPNHKHCNZGLG-UHFFFAOYSA-N 288.311 -0.659 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@H](C)OC 854280027 JFLUTXMHKUKFFV-QMMMGPOBSA-N 263.363 -0.105 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 855096230 UODGFVOTOACUAA-LPBLVHEISA-N 272.330 -0.055 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1ccc(Cl)cn1 856093623 YRCXCBNZIHZEBJ-UHFFFAOYSA-N 278.721 -0.273 50 20 CBGD CC(=O)NC(C)(C)C(=O)NNC(=O)c1cccc(F)n1 856424857 UIQCXAWDZNRDFD-UHFFFAOYSA-N 282.275 -0.104 50 20 CBGD C[C@@]1(CNC(=O)Cn2cnnn2)C[C@H]1Br 857690362 RXZDUZAVRVORMD-SVRRBLITSA-N 274.122 -0.037 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCc2nc[nH]c2C1 859307567 BWFJYKQNOHWYFE-UHFFFAOYSA-N 279.344 -0.039 50 20 CBGD N#Cc1ccsc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862454181 REWMTXCWNDJTTL-SSDOTTSWSA-N 278.293 -0.341 50 20 CBGD COC(=O)[C@H](C)CNC(=O)c1cc(B(O)O)ccc1F 863872017 JVFYPOCILIRECW-SSDOTTSWSA-N 283.064 -0.956 50 20 CBGD CNC(=O)[C@H](CC(C)C)NCc1ccc(B(O)O)cc1 863888940 YZCYGSGHZALKNN-ZDUSSCGKSA-N 278.161 -0.383 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cnn(CCN(C)C)c1 867279165 VUCIEEOJSLBQJG-UHFFFAOYSA-N 282.348 -0.249 50 20 CBGD O=C(N[C@H](CCO)C(F)(F)F)c1cccc(B(O)O)c1 868542285 JDSKXIWVTOOQCK-SECBINFHSA-N 291.034 -0.591 50 20 CBGD Cn1nccc1CCNCc1ccc(B(O)O)cc1 877362833 JORVGPMIRWTPPJ-UHFFFAOYSA-N 259.118 -0.568 50 20 CBGD O=C(NCC[C@@H](O)C1CC1)c1ccc(B(O)O)cc1 890712907 CDMQZKNPWWEOKF-GFCCVEGCSA-N 263.102 -0.743 50 20 CBGD O=C1CSC[C@@H](C(=O)NNc2ccc(Cl)nn2)N1 895108754 VCSPCDRULMRULW-YFKPBYRVSA-N 287.732 -0.195 50 20 CBGD CC[C@H](C)[C@H](NNC(=O)[C@H]1CCC(=O)N1)C(=O)OC 905774947 SJUDKSUFIXOIBC-XKSSXDPKSA-N 271.317 -0.527 50 20 CBGD CC1=C(C(=O)NN(C)C[C@H](C)O)[C@H](C)n2nnnc2N1C 910144805 NIXZIKDBBAKMAG-CBAPKCEASA-N 295.347 -0.698 50 20 CBGD C[C@@H](O)CN(C)NC(=O)C(F)(F)C1(O)CCC1 910161371 YIDLOMJMMNQEEO-SSDOTTSWSA-N 252.261 -0.120 50 20 CBGD CC(C)(C(=O)NNC(=O)[C@@H]1CCC(=O)N1)N1CCCCC1 912977537 IWTHTFCYYZRTQQ-JTQLQIEISA-N 296.371 -0.323 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1c[nH]c(C(N)=O)c1 917937911 FISCFWJGKBTAAT-UHFFFAOYSA-N 275.268 -0.473 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H]1CCN1C 925430944 RHHOXAXBOLEPBS-IVZWLZJFSA-N 270.333 -0.554 50 20 CBGD C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)c1ccc[nH]1 925992541 AMXXDRYXERWVFD-APPZFPTMSA-N 252.274 -0.006 50 20 CBGD Cc1nn(C)cc1C=NNC(=O)[C@H]1CCS(=O)(=O)C1 1116379965 HUBXKQCHXUVERS-VIFPVBQESA-N 284.341 -0.387 50 20 CBGD CC[C@H](C(=O)NNc1cnnn1C)N1CCCC1=O 1261246032 YOQVYQJXYOCGHQ-MRVPVSSYSA-N 266.305 -0.341 50 20 CBGD Cc1noc(CNC(=O)NNC(=O)Cc2cccnc2)n1 1318550548 GJQPNWBKIHLKJU-UHFFFAOYSA-N 290.283 -0.154 50 20 CBGD CCc1nn(C)cc1C=NNC(=O)[C@H]1CCS(=O)(=O)C1 1319842243 HQWRZCWNRCOAPE-VIFPVBQESA-N 298.368 -0.133 50 20 CBGD COCC[C@H](NC(=O)NNC(=O)C(=O)OC)c1ccco1 1320062324 ZEFOBTYOTQSYDQ-QMMMGPOBSA-N 299.283 -0.139 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CCc2nnn(C)c2C1 1324022760 GLMKZEMKINIWGA-QMMMGPOBSA-N 294.384 -0.399 50 20 CBGD Cc1cnc2nc(C(=O)NNC(=O)NCC3CC3)nn2c1 1328184274 JWYAGFZNGHAFRU-UHFFFAOYSA-N 289.299 -0.213 50 20 CBGD O=C(c1ncn(-c2ccccc2)n1)N1CC[C@@H](B(O)O)C1 1329291316 CSVXOMAXJXXTQD-SNVBAGLBSA-N 286.100 -0.044 50 20 CBGD CC(=O)c1cc(C(=O)N2CC[C@@H](B(O)O)C2)n(C)c1 1329671811 MXTTYPNROQKEGO-SNVBAGLBSA-N 264.090 -0.083 50 20 CBGD C#CCOCCC(=O)NNc1nc(O)c2cnn(C)c2n1 1335767845 JIBIIWGXNKCBGU-UHFFFAOYSA-N 290.283 -0.448 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H](OC)C(C)C 1339816640 CBXIQVWMGMYBJE-SSDOTTSWSA-N 261.278 -0.839 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)Cc2ccncc2)cn1 1339862091 JQFWXGXQZGMKGH-UHFFFAOYSA-N 299.290 -0.421 50 20 CBGD CCc1cncc(C(=O)NNC(=O)C(=O)NC2CC2)c1 1344099653 VASWEUKVEVFWKU-UHFFFAOYSA-N 276.296 -0.316 50 20 CBGD CN(C)C(=O)C1CCC(C(=O)NNC(=O)CO)CC1 1347979600 YMQRLSQYDHERMM-UHFFFAOYSA-N 271.317 -0.979 50 20 CBGD CS(=O)(=O)CCCCNC(=O)NNc1ncccn1 1349016879 QJHUCSBPLUQNSX-UHFFFAOYSA-N 287.345 -0.073 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@H](C(=O)O)[C@@H](C)C1 1588799311 CQDSUCMMJQWULO-UWVGGRQHSA-N 285.344 -0.168 50 20 CBGD CO[C@](C)(C(=O)O)C(=O)NNC(=O)OCC(F)(F)F 1593926579 KDJYWYCPZFDBLL-ZETCQYMHSA-N 288.178 -0.204 50 20 CBGD COc1ccnc(NNC(=O)N[C@H]2C[C@H](C(=O)O)C2)n1 1594150570 LAYOZIFDBOJUHO-LJGSYFOKSA-N 281.272 -0.026 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cc(-c2nn[nH]n2)cn1C 1603566565 PJWMVIKDOZWBOV-ZETCQYMHSA-N 279.304 -0.837 50 20 CBGD Cn1nc(C(=O)O)cc1C(=O)NN=c1cc[nH]cc1 1605538859 ISRVLVUZRTVQGS-UHFFFAOYSA-N 261.241 -0.308 50 20 CBGD O=C(C(O)O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Cl 1847447088 QYOYHGCNDJLEDZ-ACZMJKKPSA-N 280.683 -0.967 50 20 CBGD O=C(NCCCO)C1CCN(S(=O)(=O)CCl)CC1 111001651 ZCHUZVIDSVQDNK-UHFFFAOYSA-N 298.792 -0.277 50 20 CBGD CCCN1CCC[C@H]1C(=O)NNC(=O)C(=O)NC(C)C 123926802 OEFVRULZTZSQBT-JTQLQIEISA-N 284.360 -0.467 50 20 CBGD CC(C)(O)C(=O)NNC(=O)C(F)(F)C1(O)CCC1 190076629 WGZBKSOVBANPGV-UHFFFAOYSA-N 266.244 -0.545 50 20 CBGD COc1cccc(NNC(=O)CCS(C)(=O)=O)n1 272502528 HEBKRHQEQIDXHM-UHFFFAOYSA-N 273.314 -0.032 50 20 CBGD COC(=O)N(C)NC(=O)CS(=O)(=O)CC(C)C 496068218 ITBNASXSANTVPR-UHFFFAOYSA-N 266.319 -0.213 50 20 CBGD C[C@]1(O)CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584969781 PMXYGMZEQSYWML-ZDUSSCGKSA-N 281.092 -0.508 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@@H]2OCC[C@@H]2C1 585003862 SMDOSINDZFPSMY-MFKMUULPSA-N 293.103 -0.244 50 20 CBGD COCC[C@@](C)(O)CNCc1ccc(B(O)O)cc1F 585022865 BRRGFQHJARUIOC-CYBMUJFWSA-N 285.124 -0.617 50 20 CBGD Cc1nnc2n1CCC[C@@H]2NCc1ccccc1B(O)O 585026217 KCTWQKKAWZDSAZ-ZDUSSCGKSA-N 286.144 -0.109 50 20 CBGD CC(=O)N1CC(c2nc(-c3ccc(B(O)O)cc3)no2)C1 585055233 TVDRMJFRAKLKJQ-UHFFFAOYSA-N 287.084 -0.638 50 20 CBGD Cc1ccc(CN2C[C@H](C(=O)NCB(O)O)CC2=O)cc1 585056048 JABZKXHOJHWYPP-GFCCVEGCSA-N 290.128 -0.528 50 20 CBGD CC(C)[C@H](C)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 733138109 DJNJMKGWBIBILY-IUCAKERBSA-N 291.373 -0.204 50 20 CBGD O=C(NNC(=O)c1cnc[nH]1)c1cccc(-c2nn[nH]n2)c1 738134827 UQOBGOZLGWBRKV-UHFFFAOYSA-N 298.266 -0.335 50 20 CBGD CNC(=O)[C@@H]1CCCN1CC(=O)NNC(=O)C(C)(C)C 744391569 ZLZBBHXAVHOKKN-VIFPVBQESA-N 284.360 -0.610 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)C(=O)NC(C)C)CCC1 751562291 IYHVQBNJJWBNOM-UHFFFAOYSA-N 299.327 -0.608 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=O)c1ccccc1F 754958773 PXSSRBDDLULHHO-LBPRGKRZSA-N 270.260 -0.016 50 20 CBGD CN1CCN(CC(=O)NNc2ncccc2[N+](=O)[O-])CC1 759290141 BXUTWZJVYDLQRX-UHFFFAOYSA-N 294.315 -0.320 50 20 CBGD Cn1ccnc(NC(=O)NNC(=O)C2CC2)c1=O 764681243 FSGYVLOWRMBDMF-UHFFFAOYSA-N 251.246 -0.657 50 20 CBGD CCc1noc(CCCC(=O)NNC(=O)C(C)(C)O)n1 768243077 DHMSYSIRJASXFL-UHFFFAOYSA-N 284.316 -0.127 50 20 CBGD O=C(CN[C@@H](CCO)c1ccco1)NNC(=O)C1CC1 769220008 GXADJHUIQVIEBV-JTQLQIEISA-N 281.312 -0.150 50 20 CBGD O=C(O)COc1ccc(C=NNC(=O)CO)cc1 776780978 SWGDRINJUMRADB-UHFFFAOYSA-N 252.226 -0.408 50 20 CBGD C[C@H]1CCN(S(=O)(=O)NNC(=O)c2cnn(C)c2)C1 777932740 AJLYDMBYRZLNLC-QMMMGPOBSA-N 287.345 -0.759 50 20 CBGD CCOCC(=O)NN[C@@H](Cc1ccc(F)cc1)C(N)=O 784063480 AJXKNHBXXJSZIJ-NSHDSACASA-N 283.303 -0.121 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cccc(O)n2)n[nH]1 801634146 HMQXBNLDTIVCLA-UHFFFAOYSA-N 261.241 -0.106 50 20 CBGD O=C(Cn1cnnn1)NNC(=O)Nc1ccccc1 801985294 ZRVDCWBDLJBFDY-UHFFFAOYSA-N 261.245 -0.474 50 20 CBGD COC[C@H](C)[C@@H](C)C(=O)NNC(=O)N1CCN(C)CC1 812557231 RNOQRRPSZXEVPJ-WDEREUQCSA-N 286.376 -0.107 50 20 CBGD COC(=O)c1ccc(C=NNC(=O)CN(C)C)n1C 814832331 MDNCMGYUDBCDEE-UHFFFAOYSA-N 266.301 -0.177 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 818414576 BEOFSXMARDUCNM-ATZCPNFKSA-N 295.339 -0.430 50 20 CBGD NC(=O)c1ccc(/C=C\C(=O)NNC(=O)NC2CC2)o1 823767006 BUAHVTDYPVTNPG-XQRVVYSFSA-N 278.268 -0.116 50 20 CBGD CCN(CCO)NC(=O)c1ccc(-n2cncn2)nc1 823841867 LZGOKEKCXNYPQJ-UHFFFAOYSA-N 276.300 -0.379 50 20 CBGD C[C@@H](CO)N(C)NC(=O)Cn1cc(Br)cn1 823971492 VHACGJJTNZIUQH-ZETCQYMHSA-N 291.149 -0.011 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC(C)(O)CC1 827269158 VMKNIDHIAQRGQY-ZJUUUORDSA-N 285.344 -0.001 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCN(C(=O)N(C)C)CC1 827288508 YFUOMWIMCGGJTJ-UHFFFAOYSA-N 299.375 -0.911 50 20 CBGD Cc1ncc(C(=O)NNC(=O)[C@@H]2CCCCO2)c(N)n1 833246965 VSXDZHCIGUEJTR-VIFPVBQESA-N 279.300 -0.303 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H](CC(C)C)C(N)=O 839718004 QAEVTCYCEPZVHM-QMMMGPOBSA-N 258.322 -0.174 50 20 CBGD CC(=O)CSCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843655498 VRSSYBFSRRPGAY-IUCAKERBSA-N 274.342 -0.119 50 20 CBGD CCNC(=O)CNC(=O)NNC(=O)[C@@H]1CCCCO1 852520631 KTXQVPPRZMQBSH-QMMMGPOBSA-N 272.305 -0.978 50 20 CBGD Cc1nc(CC(=O)NNC(=S)N[C@H](C)C2CC2)n[nH]1 855095447 LTCGBEVHWFVPJH-ZCFIWIBFSA-N 282.373 -0.051 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2ccccn2)N1 860860651 KFLDDMXMQZLARH-ZETCQYMHSA-N 263.257 -0.487 50 20 CBGD CC(C)CCC(=O)NCC(=O)NNC(=O)c1cn[nH]c1 862471367 BQGWDMFBWKOQEL-UHFFFAOYSA-N 281.316 -0.277 50 20 CBGD COC(=O)[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1C 863880190 QJSQEQWZSFWWKJ-CABZTGNLSA-N 291.112 -0.610 50 20 CBGD C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNC(=O)CN(C)C 878681532 UZMUTZFCAJAANT-PRHODGIISA-N 279.344 -0.215 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1CC(=O)N(CCOC)C1 887140522 IRYGBYVWMMLFQL-NSHDSACASA-N 295.339 -0.568 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cc2n(n1)CCCO2 910151550 CIVJHUNEEKCOQS-QMMMGPOBSA-N 254.290 -0.377 50 20 CBGD CC(C)CS(=O)(=O)CC(=O)NN(C)C[C@@H](C)O 910170436 LHTPEPYGAAAALM-SECBINFHSA-N 266.363 -0.599 50 20 CBGD O=C(CCC1(O)CCC1)NNC(=O)CN1CCCC1=O 913733462 JYDGCUQPXTWRAH-UHFFFAOYSA-N 283.328 -0.549 50 20 CBGD CC(C)(C#N)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 917925902 QEBPKANTOFCYKM-UHFFFAOYSA-N 299.294 -0.027 50 20 CBGD C[C@@H]1COC[C@@H]1NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 925994985 WMBIDTWOWLUCSV-YWVKMMECSA-N 291.373 -0.598 50 20 CBGD CCCCS(=O)(=O)CC(=O)NNC(=O)N(C)C 931120191 XZSAGNGOCADBGD-UHFFFAOYSA-N 265.335 -0.496 50 20 CBGD CN(C)C(=O)NNC(=O)CCCN1C(=O)CCC1=O 1115910571 OHDNREBHVFGTPE-UHFFFAOYSA-N 270.289 -0.782 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)C(=O)NCC(F)F)c1 1116800485 ATWXSICLESYMAG-UHFFFAOYSA-N 296.233 -0.299 50 20 CBGD Cn1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 1118884657 MJNIUSRHONXOHE-MRVPVSSYSA-N 250.258 -0.935 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CCSC2)N1 1118970043 MAMVKRWAMCJEGU-NKWVEPMBSA-N 257.315 -0.835 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)CC1CCOCC1 1254696694 KNZFJFYSADQKAG-UHFFFAOYSA-N 266.301 -0.084 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1csnn1 1254698028 VNLUNJBRZDMVQK-UHFFFAOYSA-N 252.259 -0.735 50 20 CBGD CCn1nc(C)c(C=NNC(=O)CS(C)(=O)=O)n1 1261833092 LWAIWWMEIRLKOE-UHFFFAOYSA-N 273.318 -0.899 50 20 CBGD COc1ncccc1C(=O)NNC(=O)C(=O)NC1CC1 1317817327 LPMUGLOCTLAZFX-UHFFFAOYSA-N 278.268 -0.870 50 20 CBGD O=C(CO[C@@H]1CCOC1)NNC(=O)c1ccc[nH]1 1318973257 GXLVXIHLOFDQMW-MRVPVSSYSA-N 253.258 -0.419 50 20 CBGD CN(C)C(=O)CN1CCC(NC(=O)CCl)CC1 1319797948 WGOILJZOBSQVIG-UHFFFAOYSA-N 261.753 -0.106 50 20 CBGD COc1ccnc(NNC(=O)c2cn(C)c(=O)nc2O)n1 1323635933 UYOJHQMOSDKDNL-UHFFFAOYSA-N 292.255 -0.959 50 20 CBGD CCn1cc(C(=O)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cn1 1327149007 AFWOSCSWZDTCTD-WPRPVWTQSA-N 294.311 -0.342 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc[n+]([O-])c1 1327587599 ROMYFHPXUTWNRN-UHFFFAOYSA-N 261.241 -0.574 50 20 CBGD COCCCOCCC(=O)NNc1nnc(C)c(O)n1 1328483003 VSWLKVNQJRNIMJ-UHFFFAOYSA-N 285.304 -0.228 50 20 CBGD Cc1cc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)ccn1 1328717233 OZDPGUDWXITHHV-SNVBAGLBSA-N 291.311 -0.501 50 20 CBGD CCn1nc(C)c(C=NNC(=O)[C@H]2CCC(=O)N2)n1 1329189948 AULMTHBOHGODII-MRVPVSSYSA-N 264.289 -0.665 50 20 CBGD COC(=O)[C@H](NNC(=O)[C@H]1CCC(=O)N1)c1cccnc1 1329571555 UXXGGRHBIDUOSV-MWLCHTKSSA-N 292.295 -0.805 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F 1330223955 XKYLVRWZBZBMJF-CRCLSJGQSA-N 282.222 -0.739 50 20 CBGD NC[C@H]1OCC[C@@H]1C(=O)NNc1nncc(N)c1Cl 1330591568 LEQYBMMCFMLPIG-CAHLUQPWSA-N 286.723 -0.481 50 20 CBGD C[C@@H](NC(=O)NNc1ncncc1F)c1nnnn1C 1340439624 MILBVIWHONEGCN-RXMQYKEDSA-N 281.255 -0.474 50 20 CBGD CC(C)(C)CC(=O)NNS(=O)(=O)CCC(=O)O 1589740729 DWQKAYXDPPXTIY-UHFFFAOYSA-N 266.319 -0.152 50 20 CBGD CC1=C(C(=O)O)C[C@H](COc2ccc(B(O)O)cc2)O1 1594107130 WTMVJLGFODMIDJ-LLVKDONJSA-N 278.069 -0.107 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc(C(=O)O)[nH]1 1601554782 GXNGUJZEMCJFTK-UHFFFAOYSA-N 289.251 -0.004 50 20 CBGD CCCN(CC(=O)O)CC(=O)NNC(=O)C(C)C 1605309435 KFKHPOHEBRKFFF-UHFFFAOYSA-N 259.306 -0.414 50 20 CBGD O=C(NNC(=O)c1ncon1)N[C@H]1CC=C(C(=O)O)C1 1608479353 BLYARHNJWZNOIE-LURJTMIESA-N 281.228 -0.813 50 20 CBGD Cn1nc(C(=O)O)cc1C=NNC(=O)c1ccc(O)nn1 1776047929 UKAQKHMAGFPKEB-UHFFFAOYSA-N 290.239 -0.622 50 20 CBGD CCCNC(=S)NNC(=O)CNC(=O)c1ccco1 26677554 IZRURMZIAJBDMK-UHFFFAOYSA-N 284.341 -0.085 50 20 CBGD CN(C)CC(=O)NNC(=O)CCc1ccncc1 113425524 IWLXQBQCTJCHAH-UHFFFAOYSA-N 250.302 -0.277 50 20 CBGD N#C[C@H]1CN(S(=O)(=O)CBr)CCO1 127538596 SZXADCLZEPUZDO-LURJTMIESA-N 269.120 -0.107 50 20 CBGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)c1ccc[nH]1 161525144 WDQNKDOOSOCITA-UHFFFAOYSA-N 290.279 -0.348 50 20 CBGD C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNc1ccc(C(N)=O)nn1 282092947 DCTHJCRKIRJPSM-PJKMHFRUSA-N 279.300 -0.168 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H](O)c2cccnc2)O1 293865857 ISOSDASXZMZLIO-LSJOCFKGSA-N 279.296 -0.170 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NC2CCCCC2)N1 298283298 SWEOJDGOJKBPOQ-VIFPVBQESA-N 268.317 -0.072 50 20 CBGD Cc1cc(NNC(=O)[C@H]2CN3CCCN2CC3)nc(C)n1 372340924 WTIOBBJEUVXGDM-GFCCVEGCSA-N 290.371 -0.074 50 20 CBGD O=C(NCCC1CC(O)C1)c1ccc(B(O)O)c(F)c1 584981331 CBYLZNWRJIEXAU-UHFFFAOYSA-N 281.092 -0.604 50 20 CBGD O=C(NCCCCCO)c1ccc(B(O)O)c(F)c1 584982107 DPOCXDQSKZIUFW-UHFFFAOYSA-N 269.081 -0.602 50 20 CBGD Cc1noc([C@@H](C)N(C)C(=O)c2cccc(B(O)O)c2)n1 585005143 ZBHBRRLFRFSDQA-MRVPVSSYSA-N 289.100 -0.109 50 20 CBGD CCN(CC)C(=O)CCNCc1cccc(B(O)O)c1 585016901 DGNVTLRWPNBMNG-UHFFFAOYSA-N 278.161 -0.286 50 20 CBGD OB(O)c1ccc(CNCCCCn2ccnc2)o1 585019026 ZNKFAPIMGHYFPF-UHFFFAOYSA-N 263.106 -0.274 50 20 CBGD OB(O)c1ccc(CNC[C@@H]2CCCC[C@@H]2O)o1 585025585 XXAANHPHFUNMDW-ONGXEEELSA-N 253.107 -0.400 50 20 CBGD COCCOC[C@H](C)NCc1ccc(B(O)O)cc1 585027423 SLFUZSBVWILDAO-NSHDSACASA-N 267.134 -0.493 50 20 CBGD O=S(=O)(c1cccc2nonc12)N1CC[C@H](B(O)O)C1 585057787 KLGVUONVHPLEPR-ZETCQYMHSA-N 297.101 -0.540 50 20 CBGD COc1cc(C(=O)NCB(O)O)ccc1[N+](=O)[O-] 585061174 RFVYSQALKAUVCR-UHFFFAOYSA-N 254.007 -0.655 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](COC)C1 739919035 HRSDTWFJJFKCEV-VHSXEESVSA-N 257.334 -0.099 50 20 CBGD C[C@]1(C(=O)NNC(=O)CNC(=O)c2ccco2)CCOC1 754212353 MGEZOGUMLGYDPW-ZDUSSCGKSA-N 295.295 -0.417 50 20 CBGD C[C@@H]1COCCN(CC(=O)NNC(=O)C2CC2)C1 754381910 PAQNLTUKDLKRPF-VIFPVBQESA-N 255.318 -0.488 50 20 CBGD CCN1CCN(S(=O)(=O)CBr)CC1=O 758630234 NKPSIDURWQQUIY-UHFFFAOYSA-N 285.163 -0.167 50 20 CBGD C[C@H]1CC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)CN1C 761805038 WLAQRLQJNYGYQO-DTWKUNHWSA-N 273.358 -0.383 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1C[C@@]12CCOC2 764090561 BINUCHOUOFWDBD-JOYOIKCWSA-N 264.285 -0.094 50 20 CBGD N#Cc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1Cl 764422797 ZGJGALBKKWWKQF-UHFFFAOYSA-N 296.670 -0.710 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCN2C(=O)CC[C@@H]2C1 766272683 RIRNWDSXUXRETD-VHSXEESVSA-N 282.344 -0.761 50 20 CBGD COC[C@@H](C)C(C)=NNC(=O)[C@@H](C)NS(C)(=O)=O 777886266 VGORUWHTFZOLPZ-VXNVDRBHSA-N 279.362 -0.301 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cncc(OC)n1 791695466 ITJMIQXKONBCSF-ZETCQYMHSA-N 296.283 -0.412 50 20 CBGD COc1c(C(=O)NNC(=O)CN(C)C)cccc1[N+](=O)[O-] 795070926 PCEJCVOPZXSODR-UHFFFAOYSA-N 296.283 -0.074 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@](C)(C(N)=O)C1 796579081 CBHDCJDEYCDWJD-UFBFGSQYSA-N 270.333 -0.870 50 20 CBGD CC#CC(=O)NNC(=O)CNC(=O)c1cccs1 801146744 LIGQZLXGPIZWCL-UHFFFAOYSA-N 265.294 -0.351 50 20 CBGD NC(=O)c1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)co1 802025228 XERJBGJKMMNEGL-UHFFFAOYSA-N 289.251 -0.338 50 20 CBGD O=C(NN=C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 814781963 QGRDZZIJJOPJOJ-ZJUUUORDSA-N 274.342 -0.050 50 20 CBGD C[C@@H]1C[C@@H](C)N(CC(=O)NNC(=O)C2CC2)C[C@@H]1CN 817880453 VFSIRFWUHSFVIP-FOGDFJRCSA-N 282.388 -0.151 50 20 CBGD C[C@]1(NNC(=O)NCCOCCF)CCS(=O)(=O)C1 824331660 ZDMYLHZAMIPKMV-JTQLQIEISA-N 297.352 -0.647 50 20 CBGD CCN1C[C@H](NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1=O 826918454 VSFIAJVDNOPWGK-OPRDCNLKSA-N 298.343 -0.637 50 20 CBGD COc1cccc(NNC(=O)C[C@@H]2CC(=O)N2)n1 831882340 YJVRRWGROLRTMW-ZETCQYMHSA-N 250.258 -0.188 50 20 CBGD CC[C@@H](C(=O)NNC(=O)c1cc(C)[nH]n1)[C@H](C)O 842235669 MACVNLXUNNVJLW-JGVFFNPUSA-N 254.290 -0.114 50 20 CBGD COc1ncnc(N)c1C=NNC(=O)[C@H]1CCO[C@@H]1C 842557271 VERDKIPHYVJAND-SFYZADRCSA-N 279.300 -0.058 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC([C@@H](C)N)CC1 843348891 WPHUVSZOKQKLOI-NXEZZACHSA-N 270.377 -0.009 50 20 CBGD C[C@H]1C[C@@H](N)CCN1CC(=O)NNC(=O)C1CC1 846707295 FDCZZDRDKUNFMH-WPRPVWTQSA-N 254.334 -0.645 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@@H]1CN(C)CCO1)C1CC1 855101701 XVQCLMNPKCMDBN-SCZZXKLOSA-N 286.401 -0.389 50 20 CBGD NC(=O)CCCC(=O)NNC(=O)OCC(F)(F)F 856024076 GRBCAKMCDZFOPP-UHFFFAOYSA-N 271.195 -0.038 50 20 CBGD COC(=O)CCCC(=O)NNC(=O)c1cc[nH]n1 857305782 OXWKILOBKZIQFH-UHFFFAOYSA-N 254.246 -0.486 50 20 CBGD COc1ncccc1NC(=O)NNC(=O)CCCN 857763923 AWTROLWFOFKWAO-UHFFFAOYSA-N 267.289 -0.018 50 20 CBGD Cc1csc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 860248276 UQZXWPNMORFKAR-LURJTMIESA-N 283.313 -0.117 50 20 CBGD COC1CC(C(=O)NNC(=O)c2ncccn2)C1 862005785 ITLWIBDWHMLBMA-UHFFFAOYSA-N 250.258 -0.337 50 20 CBGD COCCS(=O)(=O)CC(=O)NNc1cccc(C)n1 862524582 NCWNNNHZKYWPPB-UHFFFAOYSA-N 287.341 -0.106 50 20 CBGD CCN1CCC(=NNC(=O)CS(C)(=O)=O)[C@@H](C)C1 863189271 GPSIWMONPLHCNZ-VIFPVBQESA-N 275.374 -0.135 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1CC1(Cl)Cl 863458765 GBTMRHHHZBEJRJ-BYPYZUCNSA-N 289.140 -0.628 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C1[C@H]2CCC[C@H]12 863462280 ATIRAXABIOYDIW-BQBZGAKWSA-N 260.315 -0.776 50 20 CBGD C[C@@]1(C(=O)NNC(=O)CS(C)(=O)=O)CC=CCC1 863465694 IRDGNKJVPVGSGB-LLVKDONJSA-N 274.342 -0.075 50 20 CBGD CON1CCC(N(C)C(=O)c2cccc(B(O)O)c2)CC1 863885647 MZKULPFGZOWSRR-UHFFFAOYSA-N 292.144 -0.536 50 20 CBGD CNS(=O)(=O)CCCNS(=O)(=O)CCl 867632523 PGUBKNYZNOAZRI-UHFFFAOYSA-N 264.756 -0.959 50 20 CBGD CCN(CC(=O)NNC(=O)Cc1cc(C)[nH]n1)C1CC1 869015679 VNUUTPKICAFQAD-UHFFFAOYSA-N 279.344 -0.108 50 20 CBGD COCCN1CCN(S(=O)(=O)CCCCl)CC1=O 882034808 ZVWSEYRHLBNOJE-UHFFFAOYSA-N 298.792 -0.264 50 20 CBGD C#CCCCC(=O)NNC(=O)C1(C(=O)NC)CC1 887143191 PDWGFABKZUTYAL-UHFFFAOYSA-N 251.286 -0.537 50 20 CBGD CN(C)c1cccnc1C(=O)NNC(=O)N1CCOCC1 900426714 JYDGMKUYTBHGLU-UHFFFAOYSA-N 293.327 -0.166 50 20 CBGD CC(=O)NCCc1ccc(S(=O)(=O)NNC(C)=O)cc1 917718308 RISZNXGZKLCLSY-UHFFFAOYSA-N 299.352 -0.305 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)CC(F)(F)F)CC1=O 918366177 LGJYLHDYFQSDDF-ZCFIWIBFSA-N 281.234 -0.045 50 20 CBGD CC(C)C(=O)NNC(=O)c1cnc2nc(O)nc(O)c2c1 919689268 HELASAJHIZPACU-UHFFFAOYSA-N 291.267 -0.147 50 20 CBGD CC(C)N1CCC[C@@H]1C(=O)NNC(=O)C(=O)NC1CC1 929447960 BOKIQFFGIDLGOT-SNVBAGLBSA-N 282.344 -0.715 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC1CC(C)(C)C1 1116707833 SSDNBNIQLDKXFN-UHFFFAOYSA-N 257.290 -0.074 50 20 CBGD NC(=O)C1(C(=O)NNc2nc3ccccn3n2)CC1 1116765291 HQMJXAMAXQCEJA-UHFFFAOYSA-N 260.257 -0.562 50 20 CBGD Cc1ncccc1CC(=O)NNc1ccc(C(N)=O)nn1 1117435999 BESQBLOKBNCNMP-UHFFFAOYSA-N 286.295 -0.035 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNc1nncc(N)c1Cl 1261083610 LSSMFTAVTCAFPY-LURJTMIESA-N 284.707 -0.224 50 20 CBGD CCn1nccc1C=NNC(=O)Cc1cc(O)nc(O)n1 1319460710 DRZNWMPZPNUAAI-UHFFFAOYSA-N 290.283 -0.203 50 20 CBGD Cc1nc(CC(=O)NNC(=O)C(=O)NC2CC2)c(C)s1 1319795985 JSOIQEPRWAURJK-UHFFFAOYSA-N 296.352 -0.272 50 20 CBGD Cn1ncc([N+](=O)[O-])c1C(=O)NN=c1cc[nH]cc1 1320053569 NVHBCQYCZOLIQN-UHFFFAOYSA-N 262.229 -0.098 50 20 CBGD C[C@H](CS(C)(=O)=O)NC(=O)NNc1cccnn1 1323037318 FANBASVLKGBADL-SSDOTTSWSA-N 273.318 -0.464 50 20 CBGD CS(=O)(=O)c1ccc(NNC(=O)[C@H]2CCNC2=O)cc1 1328639612 WQZGEJFVMWWEHQ-JTQLQIEISA-N 297.336 -0.331 50 20 CBGD O=C(NNC(=O)c1cccnc1F)C(=O)NC1CC1 1328871966 AHKXGBSZKRRYRH-UHFFFAOYSA-N 266.232 -0.740 50 20 CBGD CN(C)c1ncc(C=NNC(=O)[C@@H]2CCC(=O)N2)n1C 1330142377 JOSNTAJBSDZFFO-VIFPVBQESA-N 278.316 -0.785 50 20 CBGD CCN1CC[C@@H](NC(=O)NNC(=O)C2CCOCC2)C1=O 1331286395 AWGDWPUSQREWAL-SNVBAGLBSA-N 298.343 -0.636 50 20 CBGD O=C(NNC(=O)[C@H]1CCOC2(CCC2)C1)C(=O)NC1CC1 1331579904 BCHCIVNIDLIENU-VIFPVBQESA-N 295.339 -0.238 50 20 CBGD CCc1nn(C)cc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1331806025 MDFJADAAXDLWDD-SECBINFHSA-N 279.300 -0.978 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)CN2CCCC2=O)C1 1332273226 HMXRDJIBMKQBCR-QMMMGPOBSA-N 267.285 -0.875 50 20 CBGD CC(C)OCCNC(=O)NNC(=O)C1CCNCC1 1332558241 UGWNRHNILWUCPS-UHFFFAOYSA-N 272.349 -0.259 50 20 CBGD C#CCCCC(=O)NNC(=O)CCNC(=O)COC 1334025388 VPDOSOCKOMYRME-UHFFFAOYSA-N 269.301 -0.910 50 20 CBGD O=C(CCO)NNC(=O)Nc1ccc2c(c1)C(=O)OC2 1346968548 WHMTWDPBFCSRDV-UHFFFAOYSA-N 279.252 -0.108 50 20 CBGD CS(=O)(=O)CC(=O)NN=Cc1cnc(C2CC2)nc1 1351650130 FCRLRXVFLASAOP-UHFFFAOYSA-N 282.325 -0.151 50 20 CBGD C[C@]1(C(=O)NNC(=O)c2ccccc2F)C[C@@H](O)CN1 1573602130 SJNCFBMIGXTHPJ-AMIZOPFISA-N 281.287 -0.300 50 20 CBGD CCn1cc(C(=O)NNC(=O)[C@@H]2CCCNC2)nn1 1578344109 HUBARJOEMOIDFU-MRVPVSSYSA-N 266.305 -0.941 50 20 CBGD C[C@@H](CC(=O)O)CC(=O)NNC(=O)c1cccnn1 1592391116 BSZZTDMDTYGOJG-SSDOTTSWSA-N 266.257 -0.262 50 20 CBGD O=C(O)c1cnc(C(=O)NNc2nc3ccccn3n2)cn1 1595267012 XYMMIEPFFPJPCK-UHFFFAOYSA-N 299.250 -0.026 50 20 CBGD O=C(O)Cn1cc(C(=O)NCC(Cl)Cl)nn1 1606326831 XYDDDBHVTZHMNR-UHFFFAOYSA-N 267.072 -0.104 50 20 CBGD Cn1cc(C(=O)NNc2ccc(C(=O)O)cn2)n(C)c1=O 1608098492 ITHZSVKTYDVUHZ-UHFFFAOYSA-N 291.267 -0.426 50 20 CBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(F)c1 1608530888 KXZPFBCJFZYLNW-UHFFFAOYSA-N 287.178 -0.865 50 20 CBGD CN(C)c1ccc(CNC(=O)NNC(=O)C(=O)O)cn1 1610104757 FNDVBZKWTFUKCH-UHFFFAOYSA-N 281.272 -0.937 50 20 CBGD O=C(CCn1cccn1)NNC(=O)[C@@H]1CCCO1 48779171 RTUDLCLVXSECBU-VIFPVBQESA-N 252.274 -0.400 50 20 CBGD CCOc1ccccc1C(=O)NCC(=O)NNC(=O)NC 139306605 BYMQKZDPWCFBAF-UHFFFAOYSA-N 294.311 -0.225 50 20 CBGD CCONC(=O)NNC(=O)Cn1nc(C)cc1C 166518874 FWXBGYFRFAALSK-UHFFFAOYSA-N 255.278 -0.218 50 20 CBGD CCO[C@H]1C[C@H]1C(=O)NNC(=O)C(=O)Nc1ccccn1 268226905 DKTPGYOJYAUDJO-BDAKNGLRSA-N 292.295 -0.408 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 367515086 XPRSEAPYOYULSF-SSDOTTSWSA-N 281.272 -0.508 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)Cn1cnc([N+](=O)[O-])n1 490732836 DTVLXMFGGMTEKF-UHFFFAOYSA-N 286.248 -0.258 50 20 CBGD CCOC(=O)NNC(=O)[C@H](OC)c1cnn(C)c1 492306313 FWFUZPWTGVJMIP-MRVPVSSYSA-N 256.262 -0.115 50 20 CBGD COCCN(C)NC(=O)[C@@H](NC(=O)OC)C(C)C 496569347 IFZWPBNNOPAALG-VIFPVBQESA-N 261.322 -0.024 50 20 CBGD C=CCN1CC[C@H](Oc2ccc(B(O)O)cc2)C1=O 584909850 JALRUXXJKVCAEV-LBPRGKRZSA-N 261.086 -0.468 50 20 CBGD CC(=O)NCCCC(=O)Nc1cccc(B(O)O)c1 584910068 LZQYWHYMQHTENJ-UHFFFAOYSA-N 264.090 -0.779 50 20 CBGD CN(C)[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584939791 KWWVADGNJUFQPS-ZDUSSCGKSA-N 276.145 -0.467 50 20 CBGD C[C@H]1OCC[C@@]1(C)NC(=O)c1ccc(B(O)O)c(F)c1 584973074 LDFQAHHKYWDJBG-AMIZOPFISA-N 281.092 -0.197 50 20 CBGD O=C(NC[C@@H]1CCSC1)c1ccc(B(O)O)cc1 584981890 CBXSNYYSPYJBCI-VIFPVBQESA-N 265.143 -0.151 50 20 CBGD CC(C)OC[C@@H](CO)N(C)C(=O)c1cccc(B(O)O)c1 584982027 HRZUJNJHWFGWHF-CYBMUJFWSA-N 295.144 -0.776 50 20 CBGD CN(C(=O)c1ccc(B(O)O)c(F)c1)[C@@H]1CCCOC1 584987987 AFCUXBRDJTVPML-SNVBAGLBSA-N 281.092 -0.244 50 20 CBGD O=C(N[C@H]1CC[C@H](F)C1)c1cccc(B(O)O)c1 584990481 XGUDGJHSQOIFSN-QWRGUYRKSA-N 251.066 -0.013 50 20 CBGD Cc1nn(C)c(C)c1CNCc1ccc(B(O)O)o1 585020448 XNXJZUXJLIATGA-UHFFFAOYSA-N 263.106 -0.400 50 20 CBGD CC(=O)NC1CCC(NCc2ccc(B(O)O)cc2)CC1 585021249 RGRPKINZVLLHOY-UHFFFAOYSA-N 290.172 -0.097 50 20 CBGD O=S1(=O)CCC(CNCc2cccc(B(O)O)c2)CC1 585031644 IMPNORJYHHVDBK-UHFFFAOYSA-N 297.185 -0.719 50 20 CBGD CC[C@@H](C)C[C@H](CO)NCc1ccc(B(O)O)o1 585048470 QCFXVPWKYDMXRZ-NXEZZACHSA-N 255.123 -0.154 50 20 CBGD C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCB(O)O 585056603 RCKOYEGWXCBIQS-ZETCQYMHSA-N 284.508 -0.414 50 20 CBGD Cn1nnnc1SCCC(=O)NNc1cccnn1 736698739 OMQIFFIVOCLVFB-UHFFFAOYSA-N 280.317 -0.374 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1n[nH]c2c1CCCC2 745985975 GFZRGXDASAXMKI-UHFFFAOYSA-N 293.327 -0.025 50 20 CBGD Cc1ccc(C(=O)NN=Cc2cn(C)c(=O)n(C)c2=O)o1 752173311 YIAQTSUWVMYEBH-UHFFFAOYSA-N 290.279 -0.251 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CSCC(N)=O)o1 752782660 FYNOCPJHULWPLF-UHFFFAOYSA-N 271.298 -0.432 50 20 CBGD CCC1(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CCC1 758047901 OOAAIQRDPOSZAD-QMMMGPOBSA-N 291.373 -0.348 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[S@](=O)C[C@@H](C)C1 763876239 JDEOQQVTVMHOCS-GJPGNPISSA-N 289.401 -0.367 50 20 CBGD CC(C)(C)[C@H](O)C(=O)NNC(=O)C(=O)N1CCCC1 764947296 MBSOXTLVSUPKES-MRVPVSSYSA-N 271.317 -0.837 50 20 CBGD CN1CC[C@@H](C(=O)NNc2cc(Cl)nc(N)n2)C1=O 773868032 XIJFRLLFAXFCGO-YFKPBYRVSA-N 284.707 -0.366 50 20 CBGD O=C(O)COc1ccc(C=NNC(=O)CO)cc1[N+](=O)[O-] 776780955 SNFRAJIKRQGPPQ-UHFFFAOYSA-N 297.223 -0.499 50 20 CBGD NC(=O)c1cccc(C(=O)NNC(=O)c2ccncc2)n1 781930759 YKDKKMFYEJYPNK-UHFFFAOYSA-N 285.263 -0.350 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H](NC(N)=O)C(C)(C)C)cn1 800334797 HBVQANRCXKEHLG-MRVPVSSYSA-N 296.331 -0.736 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)c1ncn(C)n1 810194571 YSHRMEYKFSPIFQ-UHFFFAOYSA-N 289.295 -0.173 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cccc(CO)c1 813427897 NJVZWPOFTWBFQI-UHFFFAOYSA-N 279.296 -0.135 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1CC[C@@H]1C(N)=O 816971013 QZXDLJKQJGZMQJ-NKWVEPMBSA-N 265.273 -0.560 50 20 CBGD C=C(CO)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 817052627 JUECYMPLDZWTFD-UHFFFAOYSA-N 299.352 -0.072 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H](C)n1nnnc1C(C)(C)C 823940496 YFXGAOIRYZRNAG-IUCAKERBSA-N 284.364 -0.125 50 20 CBGD C[C@@H]1CCN(S(=O)(=O)NNC(=O)[C@@H]2CCCCO2)C1 830036982 HTEWAOZDFMAWSJ-ZJUUUORDSA-N 291.373 -0.237 50 20 CBGD CO[C@H](CN)CC(=O)NNC(=O)c1ccccc1 844204486 PCECBMMSTMAGKH-JTQLQIEISA-N 251.286 -0.189 50 20 CBGD Cc1nn(CC(=O)NNC(=O)NC2CCCC2)c(=O)n1C 847401360 JDCBFVXMVLWEMS-UHFFFAOYSA-N 296.331 -0.837 50 20 CBGD CO[C@H](C)CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 852393701 HTHQTZLVBQBAFO-VGMNWLOBSA-N 259.306 -0.223 50 20 CBGD COCCCNC(=S)N(C)NC(=O)c1ccncn1 854283947 QQZNYMZIMQKUJS-UHFFFAOYSA-N 283.357 -0.036 50 20 CBGD COCCCNC(=S)N(C)NC(=O)C=NOC 854286411 WKLZZFWNGGBGNO-UHFFFAOYSA-N 262.335 -0.507 50 20 CBGD CCC(F)(F)C(=O)NNC(=O)C(=O)NC(C)C 854290885 IFYTVGMYPVOAPY-UHFFFAOYSA-N 251.233 -0.296 50 20 CBGD O=C(NNC(=O)[C@]1(O)CCSC1)c1cc[nH]n1 855357166 CDCTVDJCDVRKJN-VIFPVBQESA-N 256.287 -0.961 50 20 CBGD CC[C@H](CNC(=O)NNC(=O)c1cn[nH]c1)OC 858470551 IRZZAUXPWSGDFI-MRVPVSSYSA-N 255.278 -0.221 50 20 CBGD CO[C@H](C1CC1)[C@@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858522017 VNQAAXJGRVAIMW-ZOFUNIGCSA-N 298.343 -0.591 50 20 CBGD Cc1cc(=NNC(=O)NCCS(C)(=O)=O)cc[nH]1 860585667 QPOJRZXGAXQHTN-UHFFFAOYSA-N 272.330 -0.517 50 20 CBGD COc1nccnc1NNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 862004094 QHWWSWSUYJIWQE-SFYZADRCSA-N 279.300 -0.157 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CC2(Cl)Cl)N1 862450724 ZXSILKQJDVUGGG-CRCLSJGQSA-N 280.111 -0.394 50 20 CBGD CCCC[C@@H](NNC(=O)[C@@H]1CCC(=O)N1)C(=O)OC 863378947 LIYHDPOOJRXIMA-DTWKUNHWSA-N 271.317 -0.382 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@@H](C)n1ccnc1 869903263 OWZBWBPYHQUAQS-SNVBAGLBSA-N 284.316 -0.355 50 20 CBGD CN1C(=O)CCC[C@@H]1C(=O)NNC(=O)c1cccnc1 905053093 VLEFPFRJEFAVPC-SNVBAGLBSA-N 276.296 -0.147 50 20 CBGD O=S(=O)(CCl)N1CCN(c2nc[nH]n2)CC1 907341146 XIJDTGHJCONREV-UHFFFAOYSA-N 265.726 -0.547 50 20 CBGD COCCn1ccc(C(=O)NN(C)C[C@@H](C)O)n1 910161229 SSYUPGZNIOSOQL-SECBINFHSA-N 256.306 -0.513 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1cnc2n1CCC2 913733571 NJGRIZFZDURTII-UHFFFAOYSA-N 291.311 -0.787 50 20 CBGD CC[C@H](CO)NCC(=O)NNC(=O)c1ccc(F)cc1 921206744 CVXGJFIVJKJOCR-LLVKDONJSA-N 283.303 -0.053 50 20 CBGD COc1ccc(CC(=O)NNc2nccn(C)c2=O)nc1 1117433144 ANGDPDRZBMYZOA-UHFFFAOYSA-N 289.295 -0.130 50 20 CBGD N#Cc1ncn(CCNC(=O)NNc2ncncc2F)n1 1117733241 HNQSAKCIBIKMSL-UHFFFAOYSA-N 291.250 -0.595 50 20 CBGD Cc1c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cnn1C(C)C 1118884728 ORRRERYYAWHJQH-SNVBAGLBSA-N 293.327 -0.188 50 20 CBGD O=C(NNC(=O)C1(C(=O)NC2CC2)CC1)C1CCOCC1 1119289570 QFOUJKPUUXJLQG-UHFFFAOYSA-N 295.339 -0.381 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CCc2nnc(O)n2C1 1120746496 UCVPUOJZZDBOPN-LURJTMIESA-N 284.345 -0.987 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1cnccn1 1261497598 FECQNWCVDZOCIJ-ONGXEEELSA-N 278.312 -0.018 50 20 CBGD CCCn1cc(C(=O)NNC(=O)NC2CC2)nn1 1319650703 WXOUSMHGVQEHOG-UHFFFAOYSA-N 252.278 -0.206 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H](C)c1nc(C)no1 1320099567 HGISUBXKYLBREM-NKWVEPMBSA-N 269.305 -0.025 50 20 CBGD C[C@H]1C[C@@H](C(=O)NNc2nccn(C)c2=O)CO1 1320577692 OTAJCLYVQRZCJL-JGVFFNPUSA-N 252.274 -0.352 50 20 CBGD CC(C)NC(=O)C(=O)NN=Cc1cn(C(C)C)nn1 1323388874 ARDGFAQVPTWXPX-UHFFFAOYSA-N 266.305 -0.166 50 20 CBGD O=C(C1CC1)N1CCC[C@H](C(=O)N2CC[C@H](B(O)O)C2)C1 1335430304 FIZCBVMBZKFFOP-RYUDHWBXSA-N 294.160 -0.290 50 20 CBGD O=C(CCn1cncn1)NNc1ccc(-n2ccnc2)nn1 1342512273 RMLRWDFLWPRUDR-UHFFFAOYSA-N 299.298 -0.213 50 20 CBGD CCn1cc(CC(=O)NNC(=O)C(=O)NC(C)C)cn1 1343141991 ISSLCGAZNUVVCG-UHFFFAOYSA-N 281.316 -0.883 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCC(F)(F)F)cn1 1344523750 JOYKUAUDBRGGNT-UHFFFAOYSA-N 265.195 -0.074 50 20 CBGD C[C@]1(CNC(=O)C(=O)NCCN)C[C@H]1Br 1347977478 GZKLYRAZQYVDQU-HZGVNTEJSA-N 278.150 -0.649 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H]1CC[C@H](O)CC1 1351351944 HEWAMEDIUXONHX-KYZUINATSA-N 267.289 -0.343 50 20 CBGD NC(=O)CC[C@H](N)C(=O)NNC(=O)Cc1ccccc1F 1574255250 VFCNFHIFKFYJIO-JTQLQIEISA-N 296.302 -0.892 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1occc1N 1575698549 PSIYIAZJIMONPX-UHFFFAOYSA-N 254.246 -0.853 50 20 CBGD Cc1cc(CN)oc1C(=O)NNC(=O)c1ccnnc1 1579597764 HFGKKIVFZOTQIS-UHFFFAOYSA-N 275.268 -0.088 50 20 CBGD Cn1nncc1NNC(=O)c1ccc(-c2nn[nH]n2)o1 1592613286 OVFDYBOMRARIED-UHFFFAOYSA-N 275.232 -0.655 50 20 CBGD C[C@](NC(=O)c1ccc(B(O)O)cc1)(C(=O)O)C1CC1 1593156930 RNHORLVKIMWFTO-CYBMUJFWSA-N 277.085 -0.651 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCN2CCCC[C@H]12 1601552876 MBQZMMLIKNJUMT-HTQZYQBOSA-N 270.289 -0.972 50 20 CBGD Cn1nc(C(=O)O)cc1C=NNC(=O)[C@@H]1CCOC1 1776058246 QEVUEVFAHQVPFH-SSDOTTSWSA-N 266.257 -0.395 50 20 CBGD O=C(NCc1ccco1)NNC(=O)C1=COCCO1 49182851 CQYUPYXVVGGYDM-UHFFFAOYSA-N 267.241 -0.002 50 20 CBGD CNC[C@H]1CCN(CC(=O)NNC(=O)c2ccccc2)C1 71145347 OYAJYCBFYKDKNW-GFCCVEGCSA-N 290.367 -0.011 50 20 CBGD Cn1c(=O)ccn(CC(=O)NNc2ccccc2)c1=O 111555003 UZVNUKGWZULRDU-UHFFFAOYSA-N 274.280 -0.310 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C 122921852 KXQNCJBLXAMHIF-DCAQKATOSA-N 298.387 -0.080 50 20 CBGD CN1C[C@H](C(=O)NNC(=O)Cc2ccncc2)CC1=O 266974076 UXGLNORXCDJAPR-SNVBAGLBSA-N 276.296 -0.750 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCCN(C(C)=O)C1 272719775 ZTLAZTXRMGNZFI-SNVBAGLBSA-N 270.333 -0.063 50 20 CBGD CSSCCNC(=O)NC[C@H]1CC(C(N)=O)=NO1 297878965 GRINLPYOJGHXOD-ZCFIWIBFSA-N 292.386 -0.073 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1COCCN1C1CCCC1 376726596 AOSZDAFWUDNEJT-GFCCVEGCSA-N 298.387 -0.661 50 20 CBGD CCCNC(=O)NNC(=O)CCNC(=O)OCC 490809447 VUYDOZICNINCRJ-UHFFFAOYSA-N 260.294 -0.137 50 20 CBGD CCN(CCC#N)C(=O)COc1ccc(B(O)O)cc1 584910360 ZILIMZMUIKYQMQ-UHFFFAOYSA-N 276.101 -0.493 50 20 CBGD CN(CCNC(=O)c1cc(B(O)O)ccc1F)C1CC1 584932587 AIXVZVLKFPYGLU-UHFFFAOYSA-N 280.108 -0.671 50 20 CBGD C[C@@H]1OCCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1C 584962069 AEHGKUWSZPLDOK-ZJUUUORDSA-N 263.102 -0.384 50 20 CBGD CCNC(=O)C(C)(C)NC(=O)c1ccc(B(O)O)cc1 584998679 QKIAYTXWYKDNAF-UHFFFAOYSA-N 278.117 -0.989 50 20 CBGD CCO[C@@H]1COC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 585001576 XRORHSXUKQTYKG-VXGBXAGGSA-N 297.091 -0.961 50 20 CBGD CC(C)N(C)CCNCc1ccccc1B(O)O 585020670 FVGJBGWLONPNAX-UHFFFAOYSA-N 250.151 -0.204 50 20 CBGD OB(O)c1ccccc1CNC[C@@H]1CN2CCC[C@@H]2CO1 585022405 NJZIVKLRVOWKPY-ZIAGYGMSSA-N 290.172 -0.681 50 20 CBGD C[C@@H]1[C@H](NCc2ccc(B(O)O)cc2)CCCN1C 585034617 KPQVYTVGRQMAPL-BXUZGUMPSA-N 262.162 -0.061 50 20 CBGD CCN(C)C(=O)[C@@H](C)NCc1ccc(B(O)O)cc1F 585037878 MPAOJQOYKJLGDM-SECBINFHSA-N 282.124 -0.538 50 20 CBGD CCCN1C[C@@H](NCc2ccc(B(O)O)o2)CC1=O 585048886 XWOVDSTYYPADCV-VIFPVBQESA-N 266.106 -0.940 50 20 CBGD CN(C1CCCCC1)S(=O)(=O)NCB(O)O 585054015 GCYHKROJMWZSKX-UHFFFAOYSA-N 250.129 -0.903 50 20 CBGD O=S(=O)(NCB(O)O)c1cccc(Cl)c1F 585054191 JDLCFNCXUKKQAX-UHFFFAOYSA-N 267.474 -0.231 50 20 CBGD NC(=O)CNC(=S)NNC(=O)CCCc1ccccc1 727705463 UVAHTMBXHWURAR-UHFFFAOYSA-N 294.380 -0.010 50 20 CBGD O=C1CC(C(=O)NNC(=O)CCc2ccccc2O)=NN1 732289352 ZXZJAHWSMRUVEV-UHFFFAOYSA-N 290.279 -0.652 50 20 CBGD Cn1cc(C(=O)NNC(=O)COc2cccnc2)cn1 735470617 DICHKVJJSJSDNH-UHFFFAOYSA-N 275.268 -0.345 50 20 CBGD O=C(O)CSCC(=O)NNC(=O)Cc1ccccn1 740485247 BZQHBOBGIKMHNP-UHFFFAOYSA-N 283.309 -0.411 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCOC[C@@H]1C#N 746478813 NZHARAXRXVBTCF-QWRGUYRKSA-N 282.344 -0.207 50 20 CBGD COc1ccc2c(ccn2CC(=O)NNC(=O)CO)c1 753442367 FTXMNDOOSNJXRM-UHFFFAOYSA-N 277.280 -0.210 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NNC(=O)Cc1cc[nH]n1 755285022 LGSHVDXFRFBSFA-JTQLQIEISA-N 295.343 -0.932 50 20 CBGD O=C(CO)NNC(=O)Nc1cc2c(cc1F)CCC(=O)N2 755739814 GKQCYFAHXVOGFK-UHFFFAOYSA-N 296.258 -0.145 50 20 CBGD O=C(NNC(=O)c1cnccn1)Nc1nnc2ccccn12 756433984 SMCUEXCNTOVYBK-UHFFFAOYSA-N 298.266 -0.014 50 20 CBGD C#CCCCC(=O)NNC(=O)C(=O)N1CCCC1 757897496 YDJBBVAAVRXARG-UHFFFAOYSA-N 251.286 -0.440 50 20 CBGD O=C(NNC(=O)C1CC1)c1cc2n(n1)CCCO2 761407456 UPJJUVNDTLDXOH-UHFFFAOYSA-N 250.258 -0.163 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCOC2(CCOCC2)C1 767911495 GHCMZCJGBVLYDL-LLVKDONJSA-N 299.371 -0.186 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)C3(O)CCCC3)nc21 770972859 WKBGRLFGLKAXQG-UHFFFAOYSA-N 292.299 -0.183 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)NC(=O)OC 772229430 CMZLOLZLJBYHHH-BQBZGAKWSA-N 289.288 -0.780 50 20 CBGD NS(=O)(=O)N1CCC(C(=O)NNc2ccccn2)CC1 777472526 LPBBSBOJWQMFQJ-UHFFFAOYSA-N 299.356 -0.560 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cc2c(cc1O)OCO2 779822947 JFEBUAVQCOIPTD-UHFFFAOYSA-N 295.251 -0.073 50 20 CBGD CCCNC(=O)NNC(=O)COCc1ccnn1C 785965601 DQLHXBHZNDAMQD-UHFFFAOYSA-N 269.305 -0.323 50 20 CBGD COCCCNC(=O)NNC(=O)Cc1c(C)n[nH]c1C 786827770 QJXCSPDSZAGSEX-UHFFFAOYSA-N 283.332 -0.064 50 20 CBGD CO[C@@H](C)CS(=O)(=O)NNC(=O)c1ccccn1 788138759 FCXQPVAHUOQTPM-QMMMGPOBSA-N 273.314 -0.319 50 20 CBGD C[C@@H]1COC(=O)C1=NNC(=O)C(=O)N1CCCC1 794900130 WGDSQOBAUXINJD-SSDOTTSWSA-N 253.258 -0.726 50 20 CBGD C=CCN1CC[C@H](N(C)CC(=O)NNC(=O)C2CC2)C1=O 799176643 AKGOGGMEEJIMDV-NSHDSACASA-N 294.355 -0.738 50 20 CBGD C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)Cc1cc[nH]n1 800485691 NAUZKVRDNNNMOM-RNSXUZJQSA-N 266.301 -0.087 50 20 CBGD O=C(CO)NNC(=O)Nc1cc2n(n1)CCCC2 806720140 KNPQQOARZXSWRR-UHFFFAOYSA-N 253.262 -0.636 50 20 CBGD COc1cnc(C(=O)NNC(=O)Cc2cc[nH]n2)nc1 815475679 UTMOKOIFEZGWBN-UHFFFAOYSA-N 276.256 -0.788 50 20 CBGD O=C(CCCN1C(=O)CCC1=O)NNC(=O)CC1CC1 819140902 QJCXDJBAUQUSBP-UHFFFAOYSA-N 281.312 -0.137 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@@H](C)OC 821713784 KGMLTKKAVGVNIY-BDAKNGLRSA-N 277.321 -0.597 50 20 CBGD CNC(=S)N(C)NC(=O)/C=C1/SCC(=O)N1C 823558667 LWLDXMDAYSZYLZ-XBXARRHUSA-N 274.371 -0.500 50 20 CBGD O=C(NNC(=O)c1ccccc1)NC1CN(C(=O)O)C1 831742788 RCXVOPYCUCXDEW-UHFFFAOYSA-N 278.268 -0.007 50 20 CBGD COCCN(C)NC(=O)c1cc([N+](=O)[O-])cnc1N 837625719 VODIFAZTDQEQMA-UHFFFAOYSA-N 269.261 -0.205 50 20 CBGD COc1ccc(NC(=O)NNC(=O)[C@@H]2CCNC2=O)cc1 854379742 LLDWBUMLXMKODC-SNVBAGLBSA-N 292.295 -0.016 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@H]1CCC(=O)NC1)C1CC1 855103313 UGDLLQMVYNICRS-APPZFPTMSA-N 284.385 -0.194 50 20 CBGD CC(C)OC(=O)CCNC(=O)NNC(=O)c1cn[nH]c1 858091176 OQOGTYPYCAWUKZ-UHFFFAOYSA-N 283.288 -0.305 50 20 CBGD CC[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1cn[nH]c1 858537410 NWGZGGJLFXUBEH-BDAKNGLRSA-N 267.289 -0.079 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cnn(C3CC3)c2)CC1 861570824 NFUHTZUZLQVFMI-UHFFFAOYSA-N 292.343 -0.180 50 20 CBGD O=C(NNC(=O)C1CCC(O)CC1)c1cn[nH]c1 862470839 VXXRXWRPXFJZJM-UHFFFAOYSA-N 252.274 -0.278 50 20 CBGD Cc1cc(=NNC(=O)C2=NN(CCO)C(=O)CC2)cc[nH]1 862513145 CQPQMQXMKMJASF-UHFFFAOYSA-N 291.311 -0.774 50 20 CBGD CC(C)CCSCC(=O)NNC(=O)CS(C)(=O)=O 863460351 TXVYWBHDEOXELS-UHFFFAOYSA-N 296.414 -0.042 50 20 CBGD O=C(NNC(=O)C1(Br)CC1)N1CCOCC1 874247920 BDKDDQFKYFMGKU-UHFFFAOYSA-N 292.133 -0.013 50 20 CBGD CC(C)C(=O)NNC(=O)CN1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C 878752975 URPHMBLKDFLSKQ-GMTAPVOTSA-N 298.387 -0.271 50 20 CBGD CN(CC(=O)NNC(=O)c1cccnn1)C1CCC1 882056393 SEAPJSWIXNLGPN-UHFFFAOYSA-N 263.301 -0.278 50 20 CBGD CO[C@@H](C(=O)NNC(=O)c1cccnn1)C(C)C 882057530 XVJJYZDQPUVHME-SECBINFHSA-N 252.274 -0.091 50 20 CBGD NC(=O)[C@]1(NS(=O)(=O)CCCCl)CCOC1 882335972 JZBMXESHSWKECQ-QMMMGPOBSA-N 270.738 -0.821 50 20 CBGD C#CCSCC(=O)NNC(=O)Cc1cc(C)[nH]n1 911419394 BHMJQLBILNQADY-UHFFFAOYSA-N 266.326 -0.226 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cc2n(n1)CCCC2=O 911443852 ALLXACSKUXOSSL-MRVPVSSYSA-N 266.301 -0.183 50 20 CBGD COCCN(C)NC(=O)Cn1cccc(C(=O)OC)c1=O 935911786 MZBUJXGDQLMKQV-UHFFFAOYSA-N 297.311 -0.756 50 20 CBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)Cc2cc[nH]n2)CCO1 1116560400 LENSYNRSXQDUOW-BDAKNGLRSA-N 266.301 -0.085 50 20 CBGD COc1cc(NC(=O)C(=O)NNC(=O)C2CCC2)[nH]n1 1118870555 AOIOTQRADISIJT-UHFFFAOYSA-N 281.272 -0.696 50 20 CBGD CC[C@@H](NC(C)=O)C(=O)NNC(=O)C1CCOCC1 1119664761 GNYCKYWELSBGTN-SNVBAGLBSA-N 271.317 -0.525 50 20 CBGD C[S@](=O)CCCNC(=O)NNc1ccncn1 1122179248 RPQVLQZWRQCGEL-KRWDZBQOSA-N 257.319 -0.129 50 20 CBGD Cc1nc(CCC(=O)NNC(=O)C(=O)NC2CC2)cs1 1318560441 LECUGGAIFREUOF-UHFFFAOYSA-N 296.352 -0.190 50 20 CBGD CCNC(=O)N(C)NC(=O)CCCCNC(N)=O 1320199779 JLOMIBKWVVRADF-UHFFFAOYSA-N 259.310 -0.483 50 20 CBGD C[C@H](NC(=O)NNC(=O)c1cnn(C)c1)[C@H]1CCOC1 1322565933 VRCVASIJKNZITK-IUCAKERBSA-N 281.316 -0.211 50 20 CBGD O=C(NNC(=O)[C@]1(F)CCOC1)[C@@H]1CCCCO1 1324745431 WUYFTNCHFBUURO-KWQFWETISA-N 260.265 -0.169 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CCCCS1 1325282542 DNJIZZFSFULTEF-SSDOTTSWSA-N 275.330 -0.225 50 20 CBGD O=C(NNc1ccc(-n2ccnc2)nn1)[C@@H]1COCCO1 1326697599 OYKZRXKPDVJBCV-VIFPVBQESA-N 290.283 -0.479 50 20 CBGD CC(=O)NNS(=O)(=O)C[C@]1(OC(C)C)CCOC1 1330730182 YRTCTEYJSHLFGQ-JTQLQIEISA-N 280.346 -0.459 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 1331263514 YSYQCGCDXZOFMY-JGVFFNPUSA-N 272.374 -0.195 50 20 CBGD COCCn1cc(C=NNC(=O)[C@H]2CCC(=O)N2)cn1 1348412168 SWNJPLJEHCBWMF-SNVBAGLBSA-N 279.300 -0.742 50 20 CBGD Cc1cc(NNC(=O)[C@@H]2CN3CCN2C[C@H]3C)nc(N)n1 1520450175 GAAWGMKKQGWLQX-ZJUUUORDSA-N 291.359 -0.801 50 20 CBGD C#CCCCC(=O)NNC(=O)C[C@@]1(O)CCCNC1 1574545273 PHKWUHKNJUDTQE-ZDUSSCGKSA-N 267.329 -0.558 50 20 CBGD CN(C)C(=O)NNC(=O)c1csc(-c2nn[nH]n2)c1 1591004406 ZXWMBJYIMBRAGG-UHFFFAOYSA-N 281.301 -0.156 50 20 CBGD O=C(COCc1ocnc1C(=O)O)NNc1ncccn1 1601340102 LNWFLSWRMHJTQG-UHFFFAOYSA-N 293.239 -0.177 50 20 CBGD CC[C@H](C(=O)O)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1604869887 YELFHAMNHMCHSF-BDAKNGLRSA-N 292.357 -0.411 50 20 CBGD O=C(NC[C@@H]1OCc2ccccc21)NNC(=O)C(=O)O 1608438917 LBIFANNZCLQTJL-VIFPVBQESA-N 279.252 -0.327 50 20 CBGD O=C(O)CSCCC(=O)NNC(=O)c1cc[nH]n1 1608767013 ZUZHKYZKDNLAEU-UHFFFAOYSA-N 272.286 -0.621 50 20 CBGD Cn1nnnc1SCCC(=O)NNC(=O)NCC1CC1 49166284 JUDGDUGAOVUVSZ-UHFFFAOYSA-N 299.360 -0.567 50 20 CBGD CN(C)CC(=O)NNC(=O)CC1(O)CCCCC1 89486997 SDVISEHXZVYXFO-UHFFFAOYSA-N 257.334 -0.219 50 20 CBGD CC(C)CNC(=O)NNC(=O)C(=O)N1CCCC1 154999126 GSMIRRCNUPCFHH-UHFFFAOYSA-N 256.306 -0.405 50 20 CBGD Cn1cnn(CC(=O)NNc2cnc3ccccc3n2)c1=O 163619722 ZAVNMKSROKQSQX-UHFFFAOYSA-N 299.294 -0.332 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1Cc2cc(F)ccc2O1 175945340 PBBOFMQBUVEFPZ-NSHDSACASA-N 281.287 -0.162 50 20 CBGD CC(C)CC(=O)NNC(=O)NCCn1cncn1 263736165 CSSJPRDFGKSWED-UHFFFAOYSA-N 254.294 -0.345 50 20 CBGD CN(NC(=O)CNC(=O)OCC(F)(F)F)C(N)=O 271268494 ICEOARXNWBLVCK-UHFFFAOYSA-N 272.183 -0.683 50 20 CBGD CN(C)c1noc(CCC(=O)NNC(=O)c2ccc[nH]2)n1 275462029 XADNHOPRMMAUOP-UHFFFAOYSA-N 292.299 -0.143 50 20 CBGD Cn1cnc2c(C(=O)NNC(=O)[C@@H]3CCCO3)ccnc21 292146025 MZRQQFJNGRWZNA-VIFPVBQESA-N 289.295 -0.092 50 20 CBGD O=C(NNc1nnc[nH]1)[C@@H]1CC(=O)N(Cc2ccco2)C1 293987425 RSHHJBRVFYQBAT-MRVPVSSYSA-N 290.283 -0.111 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cc(C(=O)OC)cs1 299539020 VZEPCZLVDFDAIW-UHFFFAOYSA-N 293.326 -0.343 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNC(=O)Cc1cccnc1 361683496 WNGOZJIBRMWIGJ-LBPRGKRZSA-N 292.339 -0.508 50 20 CBGD CCOC(=O)NNC(=O)[C@@H]1CC(=O)N(CCOC)C1 490558332 CMPSJKYETOMVKW-MRVPVSSYSA-N 273.289 -0.741 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCNC(=O)N(C)C 490814487 VLUZMXRCTHHXRG-CMDGGOBGSA-N 254.290 -0.182 50 20 CBGD COC(=O)NCC(=O)NN=c1nc(-c2cccnc2)[nH]o1 491056290 GRNWVTCUJGAAQM-UHFFFAOYSA-N 292.255 -0.647 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C1CC(=O)C1 494455739 SIGMLXWPLKXQJN-UHFFFAOYSA-N 285.300 -0.362 50 20 CBGD COC(=O)N(C)NC(=O)CSc1nnnn1C1CC1 495761257 JKHOYGWAHCAFNV-UHFFFAOYSA-N 286.317 -0.171 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCc2c[nH]nc2C1 584912059 KUKMWSAQKQOAFY-SECBINFHSA-N 285.112 -0.167 50 20 CBGD O=C(NCCCN1CCCC1)c1cccc(B(O)O)c1 584925729 MLCJNNINHJLQQV-UHFFFAOYSA-N 276.145 -0.418 50 20 CBGD CN(CCNC(=O)c1cccc(B(O)O)c1)C1CC1 584933474 HTMMSJZGVQMGHE-UHFFFAOYSA-N 262.118 -0.810 50 20 CBGD C[C@H](NC(=O)c1cccc(B(O)O)c1)C1CCOCC1 584959210 DUQJRMFKBFGFRZ-JTQLQIEISA-N 277.129 -0.089 50 20 CBGD Cc1nc([C@@H](C)NC(=O)c2cccc(B(O)O)c2)no1 584963894 DTPKSEVEUZUZJP-SSDOTTSWSA-N 275.073 -0.451 50 20 CBGD CO[C@@H](C)CN(C)C(=O)c1cc(B(O)O)ccc1F 584989050 KGRIRVBUPDJJMW-QMMMGPOBSA-N 269.081 -0.388 50 20 CBGD Cn1cc([C@](C)(O)CNCc2ccccc2B(O)O)cn1 585024966 ILLFIYVETCDWIH-CQSZACIVSA-N 289.144 -0.903 50 20 CBGD Cc1nc(CCNCc2ccc(B(O)O)cc2F)n[nH]1 585033444 FQNKMUFLHXOGAM-UHFFFAOYSA-N 278.096 -0.736 50 20 CBGD O=C(NCB(O)O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 585061337 VYYAIGRZWGYBSU-ZETCQYMHSA-N 298.054 -0.554 50 20 CBGD O=C(NCB(O)O)[C@H]1CCN(Cc2ccccc2)C1 585062604 LBXDGPYOAGSRDY-LBPRGKRZSA-N 262.118 -0.363 50 20 CBGD C[C@H]1C[C@@H](N)CN1CC(=O)NNC(=O)c1cccs1 702652912 GKOBSCWYNCSHBR-DTWKUNHWSA-N 282.369 -0.069 50 20 CBGD CN1CCN(C)[C@H](CNC(=O)NNc2ncccn2)C1 732474346 AXSDNULEOBUBKE-SNVBAGLBSA-N 279.348 -0.652 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H](C)N1CCN(C)CC1 732912867 OHBBZDLZGMBYSU-LLVKDONJSA-N 285.392 -0.247 50 20 CBGD CC(C)[C@H](NS(C)(=O)=O)C(=O)NNc1ncccn1 733252866 BRXIIQIFOGDODA-QMMMGPOBSA-N 287.345 -0.507 50 20 CBGD Cc1nonc1C(=O)NNC(=O)Cc1cccnc1 733933206 WNCAJRHWWGKTQC-UHFFFAOYSA-N 261.241 -0.223 50 20 CBGD CC(C)CS(=O)(=O)CCC(=O)NNC(=O)N(C)C 746001283 GKFBLKKQGUMCOO-UHFFFAOYSA-N 279.362 -0.250 50 20 CBGD COc1ncnc(N)c1C=NNC(=O)Cc1cc(C)[nH]n1 747629553 IXUYZPYPWOAJEB-UHFFFAOYSA-N 289.299 -0.208 50 20 CBGD CC[C@H](C)OCC(=O)NNC(=O)C(=O)Nc1ccccn1 752087676 YMTKBLPWXWMEFF-VIFPVBQESA-N 294.311 -0.017 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC1(C)C 758029441 LGYGEQBFXCTPST-NKWVEPMBSA-N 277.346 -0.882 50 20 CBGD CC(C)n1ncc(C(=O)NNC(=O)c2cnn(C)c2)c1N 758181097 JTEOGAAVHVELSD-UHFFFAOYSA-N 291.315 -0.146 50 20 CBGD C[C@@H]1CC(=NNC(=O)Cc2cc(O)nc(O)n2)CN1C 761813680 TZHCRVFRPREARV-SSDOTTSWSA-N 279.300 -0.374 50 20 CBGD CCN(CC(=O)NC)CC(=O)NNC(=O)c1ccccc1 764201529 MOYSQVXQLLDNNM-UHFFFAOYSA-N 292.339 -0.485 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1C 764304313 XZEMEXRHJJPAQY-UHFFFAOYSA-N 283.259 -0.134 50 20 CBGD CCC(=O)N1CCC[C@@H](C(=O)NNC(=O)C(C)(C)O)C1 768245005 QXPVVWRMSAOEGM-SECBINFHSA-N 285.344 -0.447 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(C)(C)O)c(C)nn1 768246436 JLFIBAIYLKUKFX-UHFFFAOYSA-N 252.274 -0.375 50 20 CBGD O=C(CSc1n[nH]c(O)n1)NNC(=O)C1CC1 772226356 NPGCPOCWPTZBOB-UHFFFAOYSA-N 257.275 -0.840 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CCC[C@@H]1CCO 779710603 IUTSTWPRJVMALM-ZJUUUORDSA-N 273.333 -0.096 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H](COC)[C@H]1CCCO1 789335157 PMALLCZHTAWOPO-VHSXEESVSA-N 289.332 -0.453 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)COC(F)F 796602464 ZSXIGPWAGPIULB-UHFFFAOYSA-N 281.259 -0.322 50 20 CBGD Cc1cc(C)nc(C(=O)NNC(=O)C(=O)NC(C)C)c1 801112254 OVNMICDKYVDMBX-UHFFFAOYSA-N 278.312 -0.016 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1cccc(F)c1Cl 806979965 HGRYLUZCDDUXDM-UHFFFAOYSA-N 289.650 -0.443 50 20 CBGD Cc1cccc(OCC(=O)NNC(=O)c2ncn(C)n2)c1 809933454 HMODBOIVLJWOTA-UHFFFAOYSA-N 289.295 -0.036 50 20 CBGD CN1CCN(C(=O)NN=Cc2cn(C)nc2O)CC1 814227729 KXCBOOLFBSEJAK-UHFFFAOYSA-N 266.305 -0.583 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](O)CC1 815299262 UWZIFMFNHYMDLN-UWVGGRQHSA-N 257.334 -0.221 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cnn2c1OCCC2 816359771 GKOGIUBUHOOLHW-UHFFFAOYSA-N 268.273 -0.803 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 823935498 SGFRCZQGJHRPRK-OPRDCNLKSA-N 257.334 -0.378 50 20 CBGD C[C@@H](CC(=O)O)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 827247730 PXPYFWZLSTUCAA-IUCAKERBSA-N 292.357 -0.411 50 20 CBGD CC[C@H]1C(=O)NCCN1CC(=O)NNC(=O)C(C)C 827866079 DWIYPJLKVGHUSE-VIFPVBQESA-N 270.333 -1.000 50 20 CBGD CN(C)C1(C(=O)NNC(=O)c2cnn(C)c2)CC1 828087926 QQRGFNBRHRAFOY-UHFFFAOYSA-N 251.290 -0.725 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccn(C)c1=O 831481406 PIEKBUPZVFMQFM-RKDXNWHRSA-N 294.311 -0.037 50 20 CBGD CC(=O)N[C@@H](CCC(C)C)C(=O)NN(C)C(N)=O 831519305 MDGNGHMCKNLPJW-VIFPVBQESA-N 258.322 -0.031 50 20 CBGD CCOC(=O)c1cc(C=NNC(=O)CN(C)C)[nH]n1 842526256 PRSVKBOEYQDRBW-UHFFFAOYSA-N 267.289 -0.402 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CN1CCSC1=O 843649950 XZLRRBKOEBURJM-JGVFFNPUSA-N 287.341 -0.272 50 20 CBGD O=C(NNc1cc(Cl)ccn1)[C@H]1CCS(=O)(=O)N1 845923738 PJEVHRRNPVWELR-SSDOTTSWSA-N 290.732 -0.130 50 20 CBGD CC[C@H](CO)NC(=O)NNC(=O)c1cccc(F)n1 852709194 PIEOVDHIXVBVDI-SSDOTTSWSA-N 270.264 -0.064 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@H]2CCCCO2)N1 858279127 RPNYRNHFMAODSK-RKDXNWHRSA-N 284.316 -0.836 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H](CO)C2CCCC2)N1 858700417 LJLBRHPNWJKXIN-UWVGGRQHSA-N 298.343 -0.854 50 20 CBGD O=C(CCOCC(F)(F)F)NNC(=O)[C@@H]1CCC(=O)N1 862452800 ZMDWKNMIMLZDPF-LURJTMIESA-N 297.233 -0.619 50 20 CBGD CCOC(=O)NCCCC(=O)NNC(=O)c1cn[nH]c1 862471876 BNIYXIHQPCEDKT-UHFFFAOYSA-N 283.288 -0.303 50 20 CBGD CC(C)(C)CCS(=O)(=O)NNC(=O)[C@H]1CCC(=O)N1 863412393 JTLUIASYRWXRDM-MRVPVSSYSA-N 291.373 -0.348 50 20 CBGD CN(C(=O)c1cccc(B(O)O)c1)[C@H]1CC(C)(C)OC1=O 863882535 LMLDPUWNGGXGNG-NSHDSACASA-N 291.112 -0.468 50 20 CBGD CN(C)CC(=O)NNC(=O)CCCOC1CCOCC1 878681741 ZEZPHVYHTQGWNP-UHFFFAOYSA-N 287.360 -0.329 50 20 CBGD C#CCCCC(=O)NNC(=O)CS(=O)(=O)C1CC1 887150818 YMYPAAYBBAKGOH-UHFFFAOYSA-N 272.326 -0.486 50 20 CBGD CCOCC(=O)NNC(=O)NCCN1CC[C@@H](C)C1 897432250 HJTDTDNFSOZTEO-SNVBAGLBSA-N 272.349 -0.305 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H](N2CCC2)C1 912900891 UQKUQBDUCDBNKG-ZDUSSCGKSA-N 274.129 -0.713 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1c(F)cncc1F 913729909 DDQRUVUSERVYKL-UHFFFAOYSA-N 298.249 -0.257 50 20 CBGD CC(=O)NNS(=O)(=O)c1cc(C(=O)O)ccc1F 918062187 MVRTXBBDTDNLQI-UHFFFAOYSA-N 276.245 -0.147 50 20 CBGD C[C@H](NC(=O)NNc1cccnn1)c1ncn(C)n1 1116706011 WQCUPGCSZRHYRB-ZETCQYMHSA-N 262.277 -0.008 50 20 CBGD CCCNC(=O)NNC(=O)c1ccc(C(N)=O)[nH]1 1118810423 RIGCUKQLNCISME-UHFFFAOYSA-N 253.262 -0.532 50 20 CBGD Cc1noc(CCC(=O)NNC(=O)CN2CCCC2=O)n1 1119599915 PKWNJVMPFWZLPG-UHFFFAOYSA-N 295.299 -0.920 50 20 CBGD O=CN1CCC[C@H]1C(=O)NNC(=O)Cc1ccncc1 1328109197 CMURKVUBVYKXGZ-NSHDSACASA-N 276.296 -0.608 50 20 CBGD C[C@@H]1O[C@H](C)C[C@@H]1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1328798695 HBAFCYFKSVHOQP-UTINFBMNSA-N 298.343 -0.591 50 20 CBGD CCc1cc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)on1 1329174375 UZQXGARUBCWHHR-SECBINFHSA-N 295.299 -0.654 50 20 CBGD C[C@@H](NNC(=O)CN1CCC(=O)NC1=O)C(F)(F)F 1331671253 RKIPTDMBXLBBJK-RXMQYKEDSA-N 282.222 -0.500 50 20 CBGD CN(NC(=O)Cc1nc(C2CC2)nn1C)C(N)=O 1349446156 FODPHSJHFFWLFZ-UHFFFAOYSA-N 252.278 -0.723 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H]1CC[C@@H]1C(N)=O 1349776407 GNKWHSYUTXUXLY-BQBZGAKWSA-N 258.347 -0.598 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCc2ccc(O)cc21 1350553611 TXTRGVNXTHNEPF-JTQLQIEISA-N 293.279 -0.117 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@@H](CO)C1CCCC1 1351351836 GTKSQHMXZHZAJK-JTQLQIEISA-N 281.316 -0.095 50 20 CBGD NCCCCCC(=O)NNC(=O)CCn1cncn1 1580292668 JCFUROJZSDTRBB-UHFFFAOYSA-N 268.321 -0.665 50 20 CBGD Cn1nncc1NNC(=O)c1ccc(-c2nn[nH]n2)cn1 1592612929 DOYCXNXOMAUWDK-UHFFFAOYSA-N 286.259 -0.853 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1C[C@H]1c1ccccc1 1601552643 CAUBBMHFEUGRMO-IUCAKERBSA-N 263.253 -0.043 50 20 CBGD CO[C@](C)(C(=O)O)C(=O)NNC(=O)NCC(F)(F)F 1604463884 SFBJVXFLQSFWFG-ZETCQYMHSA-N 287.194 -0.631 50 20 CBGD O=C(CN1C(=O)CNC1=O)NNc1ccccc1C(=O)O 1608326538 RTWGXGLQOVATRE-UHFFFAOYSA-N 292.251 -0.620 50 20 CBGD O=C(NNC(=O)c1ccc(O)nn1)c1cccnc1 21876860 LCKRLPYSKAKRPM-UHFFFAOYSA-N 259.225 -0.348 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)NC2CC2)n1 49128755 HPQCTEIVBQTWQS-UHFFFAOYSA-N 251.290 -0.007 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cccnc1O 106452630 MHWLEMQZZASIHV-UHFFFAOYSA-N 261.241 -0.486 50 20 CBGD CCCN(CC(=O)NC)CC(=O)NNC(=O)C1CC1 120147551 TXVBDOCDKWTPPT-UHFFFAOYSA-N 270.333 -0.998 50 20 CBGD CCN1C[C@H](C(=O)NNC(=O)c2cccn2C)CC1=O 122597058 CEMNPCMHWYGXMC-SECBINFHSA-N 278.312 -0.346 50 20 CBGD CN(C)CC(=O)NNC(=O)COc1ccc(F)cc1 171350319 GANJNNLACZSOTJ-UHFFFAOYSA-N 269.276 -0.087 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1ccn(C)c1 267244625 YSEQBOXWANAGCL-JTQLQIEISA-N 298.343 -0.093 50 20 CBGD CC[C@@H](C(=O)NNC(=O)c1cccn1C)C(=O)OC 276653839 PFNOBXDQUGUGJK-QMMMGPOBSA-N 267.285 -0.015 50 20 CBGD C[C@@H](C[S@@](C)=O)N(C)Cc1ccc(B(O)O)cc1 399962086 SNMZMCHHOBINQD-XTZNXHDOSA-N 269.175 -0.435 50 20 CBGD CCOC(=O)NNC(=O)c1coc(S(=O)(=O)NC)c1 494108336 UKKHLJBDBFPGBX-UHFFFAOYSA-N 291.285 -0.421 50 20 CBGD C[C@@H](CCO)NC(=O)c1cc(B(O)O)ccc1F 584960513 QQTKXRRISBDOQJ-ZETCQYMHSA-N 255.054 -0.994 50 20 CBGD Cn1ccnc1[C@@H](NC(=O)c1ccc(B(O)O)cc1)C1CC1 584988205 HXCMEBNUYNXQTL-ZDUSSCGKSA-N 299.139 -0.019 50 20 CBGD COCC[C@@H](C)NC(=O)NNC(=O)C(=O)NC1CC1 726261918 WTLPBQDYQSVMOB-SSDOTTSWSA-N 272.305 -0.980 50 20 CBGD COCCOCCC(=O)NNC(=O)Cc1cccnc1 728850451 RHYAKHMTUHLLJQ-UHFFFAOYSA-N 281.312 -0.175 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 750654568 DDKDFZYFISMTJI-QMMMGPOBSA-N 284.316 -0.883 50 20 CBGD C[C@H]1CC[C@H](C(=O)NNC(=O)C(=O)NC2CC2)C1 776339851 XEVSVMLDGFBNDK-YUMQZZPRSA-N 253.302 -0.151 50 20 CBGD C[C@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)CO 779404938 WLEUYBFARMGKSR-ZETCQYMHSA-N 259.306 -0.933 50 20 CBGD Cn1cnn(CC(=O)NNc2nc3ccccc3[nH]2)c1=O 781431609 UFJMZECHBVWTOS-UHFFFAOYSA-N 287.283 -0.399 50 20 CBGD COCCN(C)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 808074274 SDBOLCLTPYAWBF-NSHDSACASA-N 286.376 -0.994 50 20 CBGD Cn1nc(NC(=O)NNC(=O)CO)cc1C1CC1 810277059 JBTKVRRLSFGXDQ-UHFFFAOYSA-N 253.262 -0.558 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cnn2c1OCCC2 814670519 WURHTRSIWCGFKB-UHFFFAOYSA-N 295.299 -0.648 50 20 CBGD Cn1nncc1NNC(=O)[C@H]1CCCC12OCCO2 816772143 OQIHGFTYEXWCEY-MRVPVSSYSA-N 267.289 -0.199 50 20 CBGD CN1C[C@@H](C(=O)NNC(=S)NC(C)(C)C)CC1=O 819037137 MJZASDZMEHLTNN-ZETCQYMHSA-N 272.374 -0.242 50 20 CBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 823475250 PFFDSLPMSWIAIT-ZYUZMQFOSA-N 284.312 -0.242 50 20 CBGD CCN(CCO)NC(=O)c1c[nH]nc1-c1cnn(C)c1 823879562 OZUUOWVCLGQXSM-UHFFFAOYSA-N 278.316 -0.231 50 20 CBGD C[C@H](CO)N(C)NC(=O)Cn1nnnc1-c1ccsc1 823913646 YXTLMKGXBSBVMR-MRVPVSSYSA-N 296.356 -0.255 50 20 CBGD C[C@H](CO)N(C)NC(=O)/C=C\CN1CCOCC1 823922417 KRIFHPYOCMFOCG-DLRQAJBASA-N 257.334 -0.781 50 20 CBGD C[C@H](C#N)CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 826880280 SGLPPNCVMWOQLD-HRDYMLBCSA-N 254.290 -0.099 50 20 CBGD CO[C@@H](CN)CC(=O)NNc1nc(-c2ccncc2)no1 828217670 JMQVCFQIUSQRQP-SECBINFHSA-N 292.299 -0.062 50 20 CBGD CC(=NNC(=O)NCC(=O)O)c1cn(C)nc1C 833385201 SSNDEXQRECOVTC-UHFFFAOYSA-N 253.262 -0.164 50 20 CBGD Cc1cccc(OCC(=O)NNC(=O)NCCN)c1 841921608 RRBDYKUXAPHZOD-UHFFFAOYSA-N 266.301 -0.337 50 20 CBGD C[C@@H](CC(=O)NNc1cc(Cl)nc(N)n1)NC(N)=O 847706970 OFIITCVBLZKEFE-BYPYZUCNSA-N 287.711 -0.398 50 20 CBGD Cc1cc(NNC(=O)[C@@H]2CCCS2(=O)=O)ncn1 848369911 HYQXRBLZRJBKGZ-QMMMGPOBSA-N 270.314 -0.195 50 20 CBGD COCCN(C)NC(=O)c1cnc2c(c1)nnn2C 848378507 UTBHKNGWVJWVJI-UHFFFAOYSA-N 264.289 -0.414 50 20 CBGD CNC[C@H](C)NC(=O)NNC(=O)c1ccccc1O 851681491 ONPKWXRQEVOIFT-QMMMGPOBSA-N 266.301 -0.056 50 20 CBGD Cc1nccnc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 855005935 KLRKLHSDQNVFHX-RKDXNWHRSA-N 264.285 -0.029 50 20 CBGD COCC1(C(=O)NNC(=O)c2cc[nH]n2)CCOCC1 855356119 LXMRVADTWUQQKO-UHFFFAOYSA-N 282.300 -0.386 50 20 CBGD C[C@]1(CCC(=O)NNC(=O)c2cc[nH]n2)CCC(=O)N1 855357227 FEGDIAZDRHOUMK-GFCCVEGCSA-N 279.300 -0.380 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1cccc(F)n1 856421583 BXKNPZGWRNAFMR-UHFFFAOYSA-N 280.259 -0.396 50 20 CBGD C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)CS(C)(=O)=O 863463905 YJOQUJWBWSGSJX-RKDXNWHRSA-N 291.373 -0.949 50 20 CBGD COC(=O)NNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 863854149 JUBKRCAZGQHVPO-SSDOTTSWSA-N 281.272 -0.840 50 20 CBGD CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NN(C)C(=O)OC 875437078 LRGMLIXOYGNDLF-HTQZYQBOSA-N 272.305 -0.187 50 20 CBGD COC[C@H](NS(=O)(=O)CCCCl)C(N)=O 882023675 LIBMUJMCVBQZMV-LURJTMIESA-N 258.727 -0.965 50 20 CBGD CN1C(=O)CS/C1=C/C(=O)N1CC[C@H](B(O)O)C1 902552928 ZKIYCHPZMIVUGN-KMFAHORVSA-N 270.119 -0.892 50 20 CBGD O=C(CNC(=O)NNC(=O)C1CCCC1)NC1CC1 916193984 TUTJPTHXGBJPGD-UHFFFAOYSA-N 268.317 -0.214 50 20 CBGD Cc1ccc(SCC(=O)NNC(=O)C(N)=O)cc1 917360118 XCMFZCABRUKLQG-UHFFFAOYSA-N 267.310 -0.280 50 20 CBGD CCO[C@H](C)C(=O)NNC(=O)CN1CCCC1=O 920436173 XDTAKSDLBKHXTE-MRVPVSSYSA-N 257.290 -0.819 50 20 CBGD COC(=O)N(C)NC(=O)c1cn(CC2(C)COC2)nn1 1117184895 NOZBZJNJKRGBCR-UHFFFAOYSA-N 283.288 -0.342 50 20 CBGD Cc1cc(O)cc2c1C(=O)C(=NNC(=O)C(N)=O)O2 1248679226 GEXGGLWDRXLBBL-UHFFFAOYSA-N 263.209 -0.809 50 20 CBGD C=CC[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)OCC 1261841527 UMCKTWRXVBNYLY-GFCCVEGCSA-N 291.112 -0.396 50 20 CBGD CS(=O)(=O)CCC(=O)NNC(=O)c1ccncc1 1317917445 UYJJSTCDJRJEOW-UHFFFAOYSA-N 271.298 -0.723 50 20 CBGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)N(C)C)c1C 1323181733 DYPHPKSICVPDPY-UHFFFAOYSA-N 267.289 -0.687 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cncc(F)c1 1323818616 VYQOCHWFMKFYKA-UHFFFAOYSA-N 268.248 -0.494 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)Cc1cc[nH]n1 1326442479 SMYMXPGSXXRDMM-UHFFFAOYSA-N 281.316 -0.738 50 20 CBGD C[C@H](N)C[C@@H](C)NC(=O)NNC(=O)C1CCNCC1 1326811024 RJVWERLRJDTJFY-DTWKUNHWSA-N 271.365 -0.558 50 20 CBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNc1ncnc2[nH]cnc12 1327884876 ATSSMIVEBHAKGJ-NTSWFWBYSA-N 275.272 -0.693 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1nccnc1C 1328023354 USMRWAUUKMXCKP-UHFFFAOYSA-N 293.327 -0.149 50 20 CBGD CC(=O)c1ncc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 1331881341 ISNDCCNQVMFXLR-ZCFIWIBFSA-N 296.308 -0.615 50 20 CBGD C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)C(=O)OC 1339789324 UFASRBZOBDCFNV-IUCAKERBSA-N 285.300 -0.529 50 20 CBGD C#CCN(C)CCCNC(=O)NNC(=O)c1cccnn1 1349795722 GZJQCUJVFUOBRZ-UHFFFAOYSA-N 290.327 -0.624 50 20 CBGD C=CC1(CC(=O)NNC(=O)c2c[nH]nc2C)CNC1 1574880436 UZVXMBWZVKKCBH-UHFFFAOYSA-N 263.301 -0.355 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@H]2C[C@@H](C)CCN2)n[nH]1 1579589362 GHMWFTJYISQFEB-GZMMTYOYSA-N 279.344 -0.204 50 20 CBGD Cc1ccc(/C=C/C(=O)NNC(=O)[C@@H]2CCN2)cn1 1579679598 VJFFACIULJVRKE-ZWNMCFTASA-N 260.297 -0.087 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)s1 1589327381 VHZCRYBHNICKLP-UHFFFAOYSA-N 296.312 -0.540 50 20 CBGD CC(C)c1noc(CCNC(=O)NNC(=O)C(=O)O)n1 1592095691 VEYSGLQPHKGPJK-UHFFFAOYSA-N 285.260 -0.850 50 20 CBGD CO[C@H]1CN(CC(=O)NNC(=O)C2CC2)[C@](C)(C(=O)O)C1 1599131644 OHPQTAOUIMXVHY-RNCFNFMXSA-N 299.327 -0.892 50 20 CBGD Cc1cc(NC(=O)c2ccc(B(O)O)cc2)c(C(=O)O)[nH]1 1600274187 OBSWJUFHIDYDFH-UHFFFAOYSA-N 288.068 -0.047 50 20 CBGD Cc1nnc([C@@H](C)NC(=O)NNC(=O)C(=O)O)s1 1600793325 XSIUFSYSTQRCMO-GSVOUGTGSA-N 273.274 -0.677 50 20 CBGD O=C(O)C[C@H](CNC(=O)c1ccc(B(O)O)cc1)C1CC1 1601894183 KTGPPDQJPGOIFY-LLVKDONJSA-N 291.112 -0.403 50 20 CBGD N#Cc1ccc(NNC(=O)[C@H]2CC(C(=O)O)=NO2)nc1 1605611916 AEUAGHTUVVGVNF-MRVPVSSYSA-N 275.224 -0.374 50 20 CBGD O=C(O)[C@H](CNCc1cccc(B(O)O)c1)C1CCC1 1605903025 BAFSGIPWTFZLLL-CYBMUJFWSA-N 277.129 -0.043 50 20 CBGD NC(=O)NCC(=O)NNc1cccc(C(=O)O)c1 1608238487 UDQKSZMZYBHXBE-UHFFFAOYSA-N 252.230 -0.504 50 20 CBGD NC[C@H]1CCCN1CC(=O)NNC(=O)c1cccs1 131860186 YWMMVAJYZFIEBB-SECBINFHSA-N 282.369 -0.068 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)Cn2cccnc2=O)cc1 142420107 JMXHUPNHDPXHMG-UHFFFAOYSA-N 297.274 -0.424 50 20 CBGD NC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 194623214 LENFKOYLESIIAT-UHFFFAOYSA-N 261.241 -0.109 50 20 CBGD COCCCOCC(=O)NNC(=O)c1ccccn1 271850400 VZTWJYPRMZHGDP-UHFFFAOYSA-N 267.285 -0.104 50 20 CBGD Cc1cccc(C(=O)NNS(=O)(=O)N(C)C)n1 280034779 WIIHRWFHSDBYQA-UHFFFAOYSA-N 258.303 -0.569 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCCO2)c(=O)n1 294617576 KHHKBJNTARUUFD-JTQLQIEISA-N 294.311 -0.813 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CC[C@H](CO)[C@H](O)C1 491176602 QNAFERLTAFRJEA-YIVZINCLSA-N 254.286 -0.368 50 20 CBGD Cc1noc([C@@H](C)NC(=O)c2ccc(B(O)O)c(F)c2)n1 584937253 SJQKZUKJKMBYBB-ZCFIWIBFSA-N 293.063 -0.312 50 20 CBGD COC[C@@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584970371 XUAYMTLARAAGIW-SSDOTTSWSA-N 255.054 -0.730 50 20 CBGD CC1(C)CN(C(=O)c2ccc(B(O)O)cc2)CC[C@@H]1O 584979597 ZDTZXUOHGHLZMX-LBPRGKRZSA-N 277.129 -0.401 50 20 CBGD CN(C(=O)c1cccc(B(O)O)c1)[C@@H]1CCC[C@H]1O 584988465 OIMCGEDCBHITMQ-VXGBXAGGSA-N 263.102 -0.648 50 20 CBGD COC[C@@]1(C)CCN(C(=O)c2cccc(B(O)O)c2)C1 584995589 OBEKHBIPXVUEPB-AWEZNQCLSA-N 277.129 -0.135 50 20 CBGD CC[C@@H](C)NC(=O)CCNCc1cccc(B(O)O)c1 585020555 AUMAZMDDUYHQPM-LLVKDONJSA-N 278.161 -0.239 50 20 CBGD OC[C@@H](CC(F)(F)F)NCc1ccc(B(O)O)o1 585031971 MUDIGIXSRIEHKJ-ZCFIWIBFSA-N 267.012 -0.638 50 20 CBGD CCc1nn(C)cc1CNCc1ccc(B(O)O)cc1 585033510 CQTZBPIBXGGCQG-UHFFFAOYSA-N 273.145 -0.048 50 20 CBGD Cc1nnc([C@@H](C)NCc2ccc(B(O)O)o2)s1 585034682 LJCMMNDYDIJHTO-ZCFIWIBFSA-N 267.119 -0.030 50 20 CBGD NC(=O)CC1(CNCc2ccc(B(O)O)cc2)CC1 585048041 IZFOEDGIZPSZHB-UHFFFAOYSA-N 262.118 -0.888 50 20 CBGD CCn1nncc1CNCc1cccc(B(O)O)c1 585049489 HIDIYFAJKWNKOJ-UHFFFAOYSA-N 260.106 -0.732 50 20 CBGD CC(C)C(=O)c1ccc(S(=O)(=O)NCB(O)O)cc1 585055760 IPOBELNKMYSEPI-UHFFFAOYSA-N 285.130 -0.184 50 20 CBGD O=C1C[C@H](C(=O)N2CC[C@H](B(O)O)C2)[C@@H]2CCCC[C@H]2N1 585073659 MNQVNBMNCHDDLX-FIQHERPVSA-N 294.160 -0.243 50 20 CBGD CN(CCS(N)(=O)=O)S(=O)(=O)CCCCl 719722607 PJFKTINPGHXYJD-UHFFFAOYSA-N 278.783 -0.835 50 20 CBGD CN(C)CC(=O)NNC(=O)CCCNC(=O)C1CC1 727761551 NHGYYWLKZMFWAW-UHFFFAOYSA-N 270.333 -0.998 50 20 CBGD CCS(=O)(=O)C[C@@H](C)NC(=O)NNC(=O)C(C)C 733659719 BOCKNYJRSIYJFJ-MRVPVSSYSA-N 279.362 -0.204 50 20 CBGD CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCOC1 741758348 DPQMFECGMWEJIF-NXEZZACHSA-N 274.342 -0.050 50 20 CBGD O=C(NNS(=O)(=O)N1CCCCC1)c1cnccn1 742026495 FUWXILKLIFVBIM-UHFFFAOYSA-N 285.329 -0.558 50 20 CBGD CNC(=O)C1(NCC(=O)NNC(=O)C(C)(C)C)CCCC1 744401964 CDTYVADGLYZILC-UHFFFAOYSA-N 298.387 -0.172 50 20 CBGD COC[C@H]1CCCN1CC(=O)NNC(=O)C1CC1 752324404 DBWGWCFXSBSMDK-SNVBAGLBSA-N 255.318 -0.345 50 20 CBGD COCC(=O)NNC(=O)Nc1cnn(CC(F)F)c1 756710456 XLQDKVILWMKMCO-UHFFFAOYSA-N 277.231 -0.053 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(F)c(F)c1 764429417 RKHDFGTYHNTWTB-UHFFFAOYSA-N 273.195 -0.957 50 20 CBGD C[C@@H](C[S@](C)=O)N(C)CC(=O)NNC(=O)C(C)(C)C 767838578 OIZIGEMPKSZWJO-UGZDLDLSSA-N 291.417 -0.121 50 20 CBGD Cc1cc(=O)c(C(=O)NNC(=O)c2cc(C)[nH]n2)c[nH]1 768278099 ZRIMCEQHDVGTAS-UHFFFAOYSA-N 275.268 -0.210 50 20 CBGD CCCNC(=O)NNC(=O)c1cnc2c(c1)NC(=O)CO2 770709083 JBBLMDDBHZBCNV-UHFFFAOYSA-N 293.283 -0.234 50 20 CBGD COCCCNC(=O)NNC(=O)C1(COC)CC1 778650758 RFRWUJDQADERHY-UHFFFAOYSA-N 259.306 -0.220 50 20 CBGD CC(=O)NNC(=O)c1ccc(CCNS(C)(=O)=O)cc1 789833378 IGBWBCHKTHOMIG-UHFFFAOYSA-N 299.352 -0.441 50 20 CBGD CCNC(=O)NNC(=O)C1(COC)CCOCC1 813424792 XHNLPDXYZOPHOA-UHFFFAOYSA-N 259.306 -0.220 50 20 CBGD COCCO[C@H](C)C(=O)NN=Cc1cc(C(=O)OC)no1 814864990 MHRHNIJGGRHEJY-MRVPVSSYSA-N 299.283 -0.037 50 20 CBGD CC(CS(C)(=O)=O)=NNC(=O)Cc1cc[nH]n1 814954700 MYXBMNRTTOZCBJ-UHFFFAOYSA-N 258.303 -0.511 50 20 CBGD CCOCC(=O)NNC(=O)NCCC(C)(C)C(=O)O 818625195 VULPFFAWKIXVCX-UHFFFAOYSA-N 275.305 -0.146 50 20 CBGD Cn1cc([C@@H](O)C(=O)NNC(=O)CC2CC2)cn1 819109493 FQRRFYDLQGXXGT-SNVBAGLBSA-N 252.274 -0.599 50 20 CBGD CN(NC(=O)Cc1cccc(-c2nn[nH]n2)c1)C(N)=O 826004107 IRKRYTBKFZVHCJ-UHFFFAOYSA-N 275.272 -0.549 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2CCNC2=O)n1 834816487 VODKFYAPPCPTQH-MRVPVSSYSA-N 262.269 -0.713 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H](CC(C)C)C(N)=O)n[nH]1 839706754 ZDQCXWAZUWLCTP-QMMMGPOBSA-N 281.316 -0.373 50 20 CBGD CC(C)(C)OC(=O)c1ccc(C(=O)NNC(=O)CO)nc1 844136971 KPYQHRQZRGVVRW-UHFFFAOYSA-N 295.295 -0.210 50 20 CBGD NS(=O)(=O)C1(C(=O)NNC(=O)NC2CCCC2)CC1 845322505 WLDLZZLIFPBFRS-UHFFFAOYSA-N 290.345 -0.920 50 20 CBGD CNC[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCCCO1 851682556 UXIRAGQANUYAOE-BDAKNGLRSA-N 258.322 -0.506 50 20 CBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)CC(F)(F)F 854997724 RQPWMOZYXRYVCS-ZCFIWIBFSA-N 267.207 -0.293 50 20 CBGD C=C[C@@H]1OCCC[C@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858518176 FVLYGQJHXRTTGK-UTLUCORTSA-N 296.327 -0.671 50 20 CBGD COC(=O)c1cnn(CC(=O)NNC(=O)NCC2CC2)c1 858782652 ZTJQSVKTGIINAJ-UHFFFAOYSA-N 295.299 -0.590 50 20 CBGD Cc1ncc(/C=C/C(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 862454706 IVQTXNCQILRSAG-LXOKAJLYSA-N 294.336 -0.109 50 20 CBGD COC[C@H](C)CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862455014 CIFBCQDNPULTSI-SFYZADRCSA-N 257.290 -0.915 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H](F)c1ccccc1 863464629 JTMCSZWOAXIXRY-SNVBAGLBSA-N 288.300 -0.111 50 20 CBGD CC1(C)OCC(NC(=O)c2cc(B(O)O)ccc2F)CO1 863878318 CWWFIGKWEJGLJO-UHFFFAOYSA-N 297.091 -0.613 50 20 CBGD CN(CCNC(=O)c1ccc(B(O)O)cc1)CC(F)F 863890979 VOOHTPMIFOUIQB-UHFFFAOYSA-N 286.087 -0.707 50 20 CBGD Cc1ccn(CC(=O)NN(C)C[C@@H](C)O)c(=O)c1 910152126 IUMPKTTUMNUJQW-SNVBAGLBSA-N 253.302 -0.499 50 20 CBGD CC(=O)N1CCC[C@H](C(=O)NN(C)C[C@H](C)O)C1 910176709 BZRWRDKSIVOCBX-ONGXEEELSA-N 257.334 -0.411 50 20 CBGD O=C(NNC(=O)c1ccc2cc[nH]c2n1)C(=O)NC1CC1 1116532138 ICJIARZTOLRLMB-UHFFFAOYSA-N 287.279 -0.398 50 20 CBGD COC(=O)NCCC(=O)NNc1nnc(C)c(O)n1 1251704831 KWXGJVAICJWOIU-UHFFFAOYSA-N 270.249 -0.925 50 20 CBGD Cc1ncc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)n1C 1261652502 LHVHJNMPHBUBCB-SECBINFHSA-N 299.356 -0.451 50 20 CBGD O=C(CCc1nc[nH]n1)NNC(=O)N=c1cc[nH]cc1 1321449520 RJOGVMHIGHGTTP-UHFFFAOYSA-N 275.272 -0.593 50 20 CBGD CNC(=O)c1cccc(C(=O)NN(C)CCOC)n1 1327131921 VRUFFUNIMRCOCD-UHFFFAOYSA-N 266.301 -0.336 50 20 CBGD C[C@@H](C[C@@H](C)N)NC(=O)NNC(=O)c1cnn(C)c1 1329282373 TYFPXYQQBFZXKY-SFYZADRCSA-N 268.321 -0.510 50 20 CBGD O=C(NN=Cc1cnc2n1CCOC2)c1ncccn1 1332062996 CMERBECEKOYZCL-UHFFFAOYSA-N 272.268 -0.033 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)n1cc(COC)nn1 1334412299 NDJGJQQWEZLKIU-ZETCQYMHSA-N 255.278 -0.457 50 20 CBGD CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1ncc[nH]1 1335451995 IVKIXNKQTUGWKW-UHFFFAOYSA-N 276.256 -0.306 50 20 CBGD Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H](N)CO)c1 1574155151 SQJHUGCREWDOGX-QMMMGPOBSA-N 286.332 -0.229 50 20 CBGD C[C@H](CC(=O)NNC(=O)[C@@H]1CCN1)n1cccn1 1575927566 ZZMUHSJXZNGKPM-BDAKNGLRSA-N 251.290 -0.657 50 20 CBGD CN(NC(=O)OCc1ccccc1)C(=O)C[C@H](O)CN 1578505933 CKZHNWCVHMOYOW-NSHDSACASA-N 281.312 -0.004 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C[C@H]1CC[C@@H](N)C1 1579839789 RNVGNRLGBDRSOD-DTWKUNHWSA-N 265.317 -0.003 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2CC[C@H](N)CC2)nc1O 1579913115 ZPPOSZDOINGMHF-ZKCHVHJHSA-N 266.305 -0.154 50 20 CBGD N#CC1(C(=O)NNC(=O)CCCN)CCSCC1 1580035594 ASZLEIZZXUFRFY-UHFFFAOYSA-N 270.358 -0.090 50 20 CBGD NCCN1CCC[C@@H](C(=O)NNc2ncncc2F)C1=O 1580311252 MFTPAYWXYCTKTP-QMMMGPOBSA-N 296.306 -0.744 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1C[C@@H](C(=O)O)C1 1589414780 BIFLQNSRMMEGQL-LURQLKTLSA-N 285.300 -0.395 50 20 CBGD CC[C@H](CNC(=O)NNC(=O)N=c1cc[nH]cc1)C(=O)O 1589537872 CBJVJSMWETXSGB-MRVPVSSYSA-N 295.299 -0.050 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@H]1C(=O)O)c1ccncc1 1594782662 FDWDFRXXVBNJRQ-DTWKUNHWSA-N 263.253 -0.047 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CC[C@@H]1C(=O)O 1605511315 GMULPTYHYVUJNY-SFYZADRCSA-N 265.269 -0.103 50 20 CBGD O=C(O)[C@@H](CF)NS(=O)(=O)CBr 1610717181 QLXMTFFRPLRECI-GSVOUGTGSA-N 264.072 -0.319 50 20 CBGD CNS(=O)(=O)c1cccc(C(=O)NNC(C)=O)c1 48089236 PWIMWDZVBAXILH-UHFFFAOYSA-N 271.298 -0.624 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)NC1CCCCC1 48644869 AZFYDZGTXZUUGU-UHFFFAOYSA-N 268.317 -0.072 50 20 CBGD C[C@@H](NC(=O)c1ccoc1)C(=O)NNC(=O)[C@@H]1CCCO1 58248763 ILLRABBHSQTPOI-SCZZXKLOSA-N 295.295 -0.276 50 20 CBGD CCCNC(=O)CNC(=O)NNC(=O)C(C)(C)C 79268561 RFTMQGREYVLIFK-UHFFFAOYSA-N 258.322 -0.111 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cccnc2O)cn1 117820383 DHKUVAITTXHHFW-UHFFFAOYSA-N 261.241 -0.405 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cscn1 186134422 RAMUJBXFYDEXSU-UHFFFAOYSA-N 251.271 -0.130 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC=CCC1 264181307 YTKQVJOBXJFTQY-DTWKUNHWSA-N 289.357 -0.572 50 20 CBGD CNC(=O)NCC(=O)NNc1nc(C)cc(C)n1 270502748 MXGBMOYTKCXAMD-UHFFFAOYSA-N 252.278 -0.534 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)[C@H]1CC[C@H](C(N)=O)O1 289098987 MRGHWLUODHXHCE-HTQZYQBOSA-N 271.317 -0.397 50 20 CBGD CCOC(=O)NNS(=O)(=O)c1cc(C(=O)O)n(C)c1 490618969 DAQXELWMCFAMKJ-UHFFFAOYSA-N 291.285 -0.337 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCN1C(=O)CCC1=O 490752947 HTOLBKNRGFBPQC-CMDGGOBGSA-N 265.269 -0.304 50 20 CBGD C[C@]1(CNC(=O)c2cccc(B(O)O)c2)CCOC1 584946038 OUPSQSAKJYIYFO-CYBMUJFWSA-N 263.102 -0.477 50 20 CBGD CC(C)(CCO)CNC(=O)c1cc(B(O)O)ccc1F 584961105 YMEGLNXRJRRXLP-UHFFFAOYSA-N 283.108 -0.356 50 20 CBGD CC[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@H]1O 584968535 YSLKIVVMZYYLHZ-BXKDBHETSA-N 263.102 -0.791 50 20 CBGD C[C@]1(O)CCCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584985214 JCDVJFDKWFMKSC-AWEZNQCLSA-N 295.119 -0.117 50 20 CBGD O=C(NCCC1(O)CCC1)c1cccc(B(O)O)c1 584995383 UVWZNYWXTRYYAZ-UHFFFAOYSA-N 263.102 -0.599 50 20 CBGD OB(O)c1ccccc1CNC[C@H](O)C1CCOCC1 585029463 RNBFRSSLFWSYKI-AWEZNQCLSA-N 279.145 -0.757 50 20 CBGD C[C@H](c1nc(-c2ccc(B(O)O)cc2)no1)S(C)(=O)=O 585053387 FSPHKQPNPGRULI-SSDOTTSWSA-N 296.113 -0.478 50 20 CBGD COc1cc(C)c(C(=O)NCB(O)O)cc1OC 585060727 XHYMVKKOJQJHGQ-UHFFFAOYSA-N 253.063 -0.246 50 20 CBGD CCc1c(C(=O)NCB(O)O)cnn1CC(C)C 585062101 CXNPNLLKGOETKW-UHFFFAOYSA-N 253.111 -0.157 50 20 CBGD Nc1c(C(=O)N2CC[C@H](B(O)O)C2)cccc1[N+](=O)[O-] 585067228 RRPBCGIMOGTQFV-ZETCQYMHSA-N 279.061 -0.134 50 20 CBGD CN(C)C(=O)CCNC(=O)NNC(=O)C1CCC1 732447071 DGQBVCMJLWZBQY-UHFFFAOYSA-N 256.306 -0.405 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H](C)OCCOC 734026461 RWNCNCFBLGOQLQ-MRVPVSSYSA-N 261.347 -0.281 50 20 CBGD C[C@@H]1CN(Cc2ccccn2)CCC1=NNC(=O)C(N)=O 734362945 VCERPJMXRJNKQO-SNVBAGLBSA-N 289.339 -0.119 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)Cc2cccnc2)C1 746218926 NSQMQKJVVYHLLI-NSHDSACASA-N 278.312 -0.898 50 20 CBGD COCC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CC1 754256528 DTOWTLIUBBXNJI-VIFPVBQESA-N 274.342 -0.050 50 20 CBGD CC[C@@H](C(=O)NNc1nnc(C)c(O)n1)N(C)C 754449644 DKVPHWALSZOUKN-ZETCQYMHSA-N 254.294 -0.331 50 20 CBGD CCC(=O)NNC(=O)Nc1cccc(S(N)(=O)=O)c1 756510056 NGMMZIRZOWMLJG-UHFFFAOYSA-N 286.313 -0.103 50 20 CBGD O=C(CN1CCO[C@@H]([C@@H]2CCCO2)C1)NNC(=O)C1CC1 756897221 WFGCQYODEZOGKY-NWDGAFQWSA-N 297.355 -0.576 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC[C@@H](C)C1 758050941 DKDKMTQWXXONLK-VGMNWLOBSA-N 291.373 -0.492 50 20 CBGD COCCO[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 760970052 SEKIZOQMEYGXSZ-GFCCVEGCSA-N 299.371 -0.329 50 20 CBGD CN(NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C(N)=O 778415429 HQLKQZMHGVGMJE-UHFFFAOYSA-N 292.255 -0.014 50 20 CBGD CCc1[nH]nc(C(=O)NNC(=O)CO)c1Br 790918778 CVBGMTKYCBSXAG-UHFFFAOYSA-N 291.105 -0.512 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)C[C@H](C)OC 799799692 UFAQNEWCJMWASD-ZETCQYMHSA-N 253.324 -0.483 50 20 CBGD CCNC(=O)NNC(=O)c1cncc(-n2ccnn2)c1 801843022 YATGKSWOGYNHDP-UHFFFAOYSA-N 275.272 -0.374 50 20 CBGD CCOC(=O)c1ccc(C(=O)NNC(=O)C(C)(C)O)nc1 816360665 ZUCDIHASGGQYMJ-UHFFFAOYSA-N 295.295 -0.210 50 20 CBGD COc1cccc([S@](=O)CC(=O)NNC(C)=O)c1 818999635 UOOZPVXIHBKYKU-GOSISDBHSA-N 270.310 -0.030 50 20 CBGD CCCCNC(=O)NNC(=O)CCS(C)(=O)=O 823755894 NAQQCDPOJPEWEO-UHFFFAOYSA-N 265.335 -0.448 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@]1(c2ccccc2)CNC(=O)C1 823921873 DLQKDRSIVDZUPP-ABAIWWIYSA-N 291.351 -0.212 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(CN(C)C)CC1 824017016 YBEPWFXAERHJSA-NXEZZACHSA-N 269.345 -0.099 50 20 CBGD CO[C@@](C)(C(=O)NN(C)C(N)=O)C(=O)OC(C)(C)C 831518717 AYAYRYRVCZPQBB-NSHDSACASA-N 275.305 -0.225 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnn2c1OCCC2 843970102 BJASBIKCZOQWEO-BDAKNGLRSA-N 294.311 -0.148 50 20 CBGD CN(C)C(=O)NNC(=O)C1(n2cnnn2)CCCCC1 845335702 IISPDJJYFDNVER-UHFFFAOYSA-N 281.320 -0.365 50 20 CBGD Cc1nn(CC(=O)NNc2ccnc(F)c2)c(=O)n1C 847697576 ZALXSYLTCRDXST-UHFFFAOYSA-N 280.263 -0.432 50 20 CBGD CNC(=S)N(C)NC(=O)CC(=O)NCC(F)(F)F 854922248 CBLZIBGDPLSWEA-UHFFFAOYSA-N 286.279 -0.478 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2C=CCC2)N1 858608097 IVZARJBWWYRFIB-HTQZYQBOSA-N 252.274 -0.686 50 20 CBGD CCNC(=O)CCC(=O)NNC(=O)c1cn[nH]c1 862471722 LXXAPRVDBFZGEC-UHFFFAOYSA-N 253.262 -0.913 50 20 CBGD C[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)c1ccccc1 863465008 PDRDWONJYYAQQQ-SECBINFHSA-N 284.337 -0.018 50 20 CBGD CCN1CCN(C(=O)c2cc(B(O)O)ccc2F)C[C@H]1C 863877537 GONZSJHZYUBFGR-SNVBAGLBSA-N 294.135 -0.328 50 20 CBGD COCCOCC(=O)NN=C1CC(=O)N2CCCC[C@H]12 872400326 JDHRKLTYLRSKDI-LLVKDONJSA-N 283.328 -0.094 50 20 CBGD COC(OC)C(=O)NNc1nc2ccccc2c(=O)n1C 874472245 ZOMNZORFLWWGSY-UHFFFAOYSA-N 292.295 -0.005 50 20 CBGD C[C@@H](NCc1cccc(B(O)O)c1)[C@H](O)C(F)(F)F 877693905 UDTGZWHGGMBTMG-XCBNKYQSSA-N 277.051 -0.232 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CC[C@H](SC)C1 1116182093 UCNOSDRIELKYSX-RQJHMYQMSA-N 275.330 -0.226 50 20 CBGD O=C(c1nccn2ccnc12)N1CC[C@H](B(O)O)C1 1261843725 PMGCGFKISDXZHB-QMMMGPOBSA-N 260.062 -0.582 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCC[C@@H]1CCCCO1 1320300651 BTLFKLHQKGKMID-VIFPVBQESA-N 287.316 -0.161 50 20 CBGD CC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CCO)c1 1320521133 NSVCEIOHVAZEBY-UHFFFAOYSA-N 293.279 -0.643 50 20 CBGD C[C@H](Sc1nncn1C)C(=O)NNC(=O)C(C)(C)O 1320760168 GKLVXQILQWPPMH-LURJTMIESA-N 287.345 -0.786 50 20 CBGD Cn1nc([C@@H]2CCCO2)cc1NC(=O)NNC(=O)CCO 1320958502 LLQCKLKWFOXDBG-VIFPVBQESA-N 297.315 -0.193 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1ncc(C)s1 1321591740 SXIJLEGENZWMNX-UHFFFAOYSA-N 286.313 -0.426 50 20 CBGD O=C(CCn1cncn1)NNC(=O)Cc1ccncc1 1322271509 BWSXHACDAJODIP-UHFFFAOYSA-N 274.284 -0.547 50 20 CBGD Cc1cc(=O)c(C(=O)NNC(=O)CO)cn1C1CC1 1323742696 XUJIXFOOPZDJMR-UHFFFAOYSA-N 265.269 -0.755 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1CCSC1 1324954878 UDVFUKRLMXKACN-SSDOTTSWSA-N 272.330 -0.899 50 20 CBGD CCc1cc(C(=O)NNc2nnc(C)c(O)n2)nn1C 1325149517 DFFCQDSTKVNEPV-UHFFFAOYSA-N 277.288 -0.062 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1c(C)c(C)nn1C 1325555722 XANPMFYCXNJOTL-UHFFFAOYSA-N 283.288 -0.247 50 20 CBGD CCCc1cc(C(=O)NNC(=O)C(=O)NC(C)C)no1 1328594659 NLAZOKIPXMLBGL-UHFFFAOYSA-N 282.300 -0.087 50 20 CBGD CCN(C)C(=O)[C@@H](C)NC(=O)NNC(=O)c1cn[nH]c1 1328789612 ULPXCUOUYZPOFD-SSDOTTSWSA-N 282.304 -0.780 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccc(=O)n(C)c1 1330973394 JIJCWMWWMLAFEI-UHFFFAOYSA-N 282.300 -0.634 50 20 CBGD CNC(=O)c1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cn1 1331827111 OAXMIZMHBWAYSQ-SECBINFHSA-N 277.089 -0.870 50 20 CBGD O=C(COC[C@@H]1CCCO1)NNC(=O)C1CCOCC1 1332290382 IZWLGYSECFKPLT-NSHDSACASA-N 286.328 -0.244 50 20 CBGD CCc1cnc(NC(=O)C(=O)NNC(=O)CCO)s1 1339006029 HLXMZJIIBORQAH-UHFFFAOYSA-N 286.313 -0.826 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)Cc1cccnc1 1342038830 YTDMBSSDBYZWEL-UHFFFAOYSA-N 264.285 -0.702 50 20 CBGD Cn1ccc(CC(=O)NNC(=O)Cc2cccnc2)n1 1346055823 FZWCUBWKQUQYTA-UHFFFAOYSA-N 273.296 -0.252 50 20 CBGD C#CCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1351342964 XDKPCIABZCBTPE-QMMMGPOBSA-N 252.274 -0.991 50 20 CBGD N[C@@H](CO)C(=O)NNC(=O)c1ccc2ccccc2n1 1574263867 HEPZHLHKTKCXEZ-VIFPVBQESA-N 274.280 -0.685 50 20 CBGD CCCNC(=O)NNC(=O)c1cc2n(n1)C[C@H](C)NC2 1577545071 JRWKNHGZEBMQCO-QMMMGPOBSA-N 280.332 -0.271 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@@H](C)[C@@H](C(=O)O)C1 1588799506 MCZJSTDJOHKMAU-ZJUUUORDSA-N 285.344 -0.168 50 20 CBGD C[C@H](NNC(=O)c1cn(CC(=O)O)nn1)C(F)(F)F 1589131909 IDTWPUYHDAPJJI-BYPYZUCNSA-N 281.194 -0.452 50 20 CBGD CN(NC(=O)[C@H]1CCCN(CC(=O)O)C1=O)C1CC1 1593766119 FZKHYSKHNZMJPF-SECBINFHSA-N 269.301 -0.565 50 20 CBGD COc1ccc(NC(=O)NNC(=O)COCC(=O)O)cc1 1594106584 PCUPSKBZVPBXON-UHFFFAOYSA-N 297.267 -0.051 50 20 CBGD O=C(O)[C@]1(C(=O)NNc2ncncc2F)CCCO1 1594867602 OMSYHFKRDYXECT-SNVBAGLBSA-N 270.220 -0.307 50 20 CBGD O=C(N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1)c1cccc(B(O)O)c1 1601575323 LBRNWILLCJRQBN-PUYPPJJSSA-N 289.096 -0.651 50 20 CBGD C[C@H](C(=O)O)n1cccc1C=NNC(=O)C(N)=O 1603222056 VWLHQTGTZXEYTN-ZCFIWIBFSA-N 252.230 -0.931 50 20 CBGD CS(=O)(=O)CC(=O)NN=Cc1cccc(C(=O)O)c1 1607367582 XXLBJRRZOPFMEM-UHFFFAOYSA-N 284.293 -0.121 50 20 CBGD OB(O)C1=CCN(Cc2cc3c(cn2)OCCO3)CC1 1887473472 ANOYYAQXAFWHMI-UHFFFAOYSA-N 276.101 -0.003 50 20 CBGD O=C(Cc1cc(=O)[nH]c(=O)[nH]1)NN=Cc1ccc(F)cc1 6241444 QPNHKPHWBNQUKA-UHFFFAOYSA-N 290.254 -0.105 50 20 CBGD CN(CC(=O)O)CC(=O)NNC(=O)c1cccs1 35304984 PYJNTRQWJMEYFW-UHFFFAOYSA-N 271.298 -0.475 50 20 CBGD CC(=O)NNS(=O)(=O)c1ncn(C)c1Cl 40432734 TXVHLCAYZPPFEE-UHFFFAOYSA-N 252.683 -0.597 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1COCCO1 73844020 BCWIAQHGFIUVTE-VIFPVBQESA-N 253.258 -0.799 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnn(-c2ccccc2)n1 75653023 RCGGCJGUOKGJRA-UHFFFAOYSA-N 288.311 -0.410 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCn1ccccc1=O 110760473 IERAWNCMZPIMOG-UHFFFAOYSA-N 289.295 -0.269 50 20 CBGD CCOc1ccccc1OCC(=O)NNC(=O)[C@H](C)N 272324027 LPJQTBFNMDDHEH-VIFPVBQESA-N 281.312 -0.041 50 20 CBGD CC1CCN(C(=O)C(=O)NNC(=O)NC(C)C)CC1 278113840 ZWAUOYPKDLFAPU-UHFFFAOYSA-N 270.333 -0.016 50 20 CBGD CN1CCO[C@@H](C(=O)NNc2cccc(F)n2)C1 286689399 XMXMTVKMCPQDSE-MRVPVSSYSA-N 254.265 -0.006 50 20 CBGD CCC[C@@H](OC)C(=O)NNC(=O)CNC(=O)c1ccco1 294707797 YMFYBSHPULKHOI-SECBINFHSA-N 297.311 -0.028 50 20 CBGD C[C@@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)C1CC1)CS2 298077870 TYIFJGCAZHRZNM-PRHODGIISA-N 283.353 -0.002 50 20 CBGD CC(C)(C(=O)Nc1cccc(B(O)O)c1)S(C)(=O)=O 404973540 UHCNODPMRMQEQM-UHFFFAOYSA-N 285.130 -0.872 50 20 CBGD C=CCNC(=O)/C(C#N)=C\c1cn(C)c(=O)n(C)c1=O 490550098 MGOJVGZJJSRIGG-TWGQIWQCSA-N 274.280 -0.707 50 20 CBGD C[C@@H](CO)CN(C)C(=O)c1ccc(B(O)O)cc1 584968274 VRTIAHHYYOEASL-SECBINFHSA-N 251.091 -0.933 50 20 CBGD C[C@@H]1C[C@@H](CNC(=O)c2cccc(B(O)O)c2)CCO1 584970237 NMGLSGQZHPCKCS-MNOVXSKESA-N 277.129 -0.089 50 20 CBGD O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]21)c1cccc(B(O)O)c1 584978805 DGIORJYUPSBPRJ-UPJWGTAASA-N 275.113 -0.336 50 20 CBGD CCc1nc(CNC(=O)c2ccc(B(O)O)c(F)c2)n[nH]1 584994872 OYAANXQXZTYETA-UHFFFAOYSA-N 292.079 -0.884 50 20 CBGD COCCN1CC[C@H](CNCc2ccc(B(O)O)cc2)C1 585020678 FWOPPHWTLUWJCK-CQSZACIVSA-N 292.188 -0.576 50 20 CBGD CNC(=O)[C@@H]1CCCC[C@H]1NCc1ccc(B(O)O)o1 585029906 LWCLCDSHBSSKLC-GHMZBOCLSA-N 280.133 -0.646 50 20 CBGD C[C@@H](CC[S@](C)=O)NCc1ccc(B(O)O)cc1 585031810 YMSLBOBKDPNRLA-YPMLDQLKSA-N 269.175 -0.387 50 20 CBGD O=C1CCC[C@@H](CNCc2ccccc2B(O)O)N1 585038393 CRZOUUJBAYESPU-NSHDSACASA-N 262.118 -0.875 50 20 CBGD C[C@@H]1[C@@H](CNCc2ccc(B(O)O)cc2)N(C)CCN1C 585043293 LUCFJHUJVKOKSZ-IUODEOHRSA-N 291.204 -0.910 50 20 CBGD COc1cc(/C=C/C(=O)NCB(O)O)cc2c1OCCO2 585057652 ILWVXGPIAAKTQG-NSCUHMNNSA-N 293.084 -0.392 50 20 CBGD NC(=O)c1cc(Cl)nnc1N1CC[C@H](B(O)O)C1 585074107 SWMACYYSSKGNME-YFKPBYRVSA-N 270.485 -0.718 50 20 CBGD O=S(=O)(CCl)NCCS(=O)(=O)N1CCCC1 721851884 DXZMLDOQOYBCHA-UHFFFAOYSA-N 290.794 -0.472 50 20 CBGD Cc1nn(C)c(C)c1CCC(=O)NNC(=O)CN(C)C 733359381 OAPGMRRFCANYOJ-UHFFFAOYSA-N 281.360 -0.321 50 20 CBGD Cc1ccc(NNC(=O)N[C@H](C)CS(C)(=O)=O)nn1 733660857 XTQDKEHJVSZROE-MRVPVSSYSA-N 287.345 -0.156 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCOC[C@H]2CCCO2)cn1 735446184 BYXCULMMLZKKNO-LLVKDONJSA-N 296.327 -0.233 50 20 CBGD C[C@H]1C(=O)Nc2cc(C(=O)NNC(=O)CO)ccc2N1C 753438390 DLBKZTCIVVKJBW-ZETCQYMHSA-N 292.295 -0.783 50 20 CBGD CCC(CC)[C@H](C(=O)NNC(=O)CO)N1CCOCC1 753452355 RIGIDLFIGLAGLJ-GFCCVEGCSA-N 287.360 -0.737 50 20 CBGD COC(=O)CNC(=O)NN=C(C)c1cn(C)nc1C 779823350 NOKGUQKKQMCIMJ-UHFFFAOYSA-N 267.289 -0.075 50 20 CBGD CN(CC(=O)NN=c1cc[nH]cc1)[C@@H]1CCS(=O)(=O)C1 780760895 JBMOKLYIHUBCHR-LLVKDONJSA-N 298.368 -0.935 50 20 CBGD Cc1cc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)sn1 785453924 PCFKRPADNAIISY-ZETCQYMHSA-N 290.370 -0.161 50 20 CBGD COC1(C(=O)NNC(=O)NCC2CC2)CCOCC1 785954900 HGDLTSJCTRKGLT-UHFFFAOYSA-N 271.317 -0.078 50 20 CBGD C[C@@H]1COCCC1=NNC(=O)Cc1cc(O)nc(O)n1 794514520 CRCWZJHWOGJDAJ-SSDOTTSWSA-N 280.284 -0.041 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CN(C)CCC(N)=O)c1 796591533 VSGFWXGMKBXTIZ-UHFFFAOYSA-N 292.339 -0.437 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(C#N)s1 797818998 ZFCGWVHLSCEMFH-UHFFFAOYSA-N 260.300 -0.258 50 20 CBGD CN1CCN(C(=O)NNC(=O)CCCn2cncn2)CC1 807381683 DQXXHLLRNZGTQX-UHFFFAOYSA-N 295.347 -0.954 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](CC(N)=O)C1 808775325 WGIJEOXGDPQOFT-RKDXNWHRSA-N 270.333 -0.870 50 20 CBGD C[C@H](CO)N(C)NC(=O)CCCCN1CCOCC1 823935570 UBWWDNMMSMSNRK-GFCCVEGCSA-N 273.377 -0.167 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 823976986 LZYHPQONWZYPLV-JGVFFNPUSA-N 297.277 -0.259 50 20 CBGD CCCNC(=O)NN=C(C)c1cn(CC(=O)O)nn1 829512995 FKVSNAJOYIIBMM-UHFFFAOYSA-N 268.277 -0.204 50 20 CBGD Cc1cc(C(=O)NNC(=O)CN(C)C(=O)O)n[nH]1 829956987 QVQNGDQTGHVHAM-UHFFFAOYSA-N 255.234 -0.911 50 20 CBGD CC(C)[C@@](C)(CN)NCC(=O)NNC(=O)C1CC1 843356469 RIZDXTHBZIJZJY-GFCCVEGCSA-N 256.350 -0.493 50 20 CBGD COCCn1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1 843658345 QYLNJZYQLDEBGV-NXEZZACHSA-N 296.327 -0.285 50 20 CBGD CC(C)C(=O)NNC(=O)CN(C)Cc1ncc[nH]1 851873602 FZGDOXBPJPYLPB-UHFFFAOYSA-N 253.306 -0.355 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@@H]2NC(=O)CC[C@H]2C1 852497375 VFYMGTXEYKPMRE-QWRGUYRKSA-N 296.371 -0.610 50 20 CBGD N=C1NC(=O)[C@H](CC(=O)NNC(=O)CC(F)(F)F)S1 855001467 FUEFSPGGUPAVRY-VKHMYHEASA-N 298.246 -0.357 50 20 CBGD O=C1C[C@H]2CC[C@@H](CN1)N2S(=O)(=O)CCl 859369666 JAETYCUYRLXYGZ-RQJHMYQMSA-N 252.723 -0.135 50 20 CBGD O=C(NC[C@@H]1COCCN1)NNC(=O)C1CCC1 861682918 YLFXCVAZMVVCGM-SECBINFHSA-N 256.306 -0.895 50 20 CBGD COC(=O)COCC(=O)NN[C@H](C)C(F)(F)F 862319683 JXEGBUOJPYJROP-RXMQYKEDSA-N 258.196 -0.252 50 20 CBGD O=C(CC[C@H]1CCCO1)NNC(=O)[C@H]1CCC(=O)N1 862450883 CSXUETHYZMNLPO-RKDXNWHRSA-N 269.301 -0.628 50 20 CBGD COC[C@@H](C)CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862455015 CIFBCQDNPULTSI-YUMQZZPRSA-N 257.290 -0.915 50 20 CBGD O=C(Cc1c(F)cccc1F)NNC(=O)[C@@H]1CCC(=O)N1 862455864 JXIPJSYWYOEAGO-JTQLQIEISA-N 297.261 -0.067 50 20 CBGD Cc1cc(=NNC(=O)[C@H]2CCS(=O)(=O)C2)cc[nH]1 862509709 RSDLXIUOSLNIMS-VIFPVBQESA-N 269.326 -0.310 50 20 CBGD COCCCONC(=O)c1ccc(B(O)O)cc1 863881644 BJXJRDDIAPVMAF-UHFFFAOYSA-N 253.063 -0.936 50 20 CBGD C#CC[C@@H](NCc1cccc(B(O)O)c1)C(=O)OC 863889943 KSZDFXWXCXNTPP-GFCCVEGCSA-N 261.086 -0.979 50 20 CBGD C=C[C@](C)(O)CC(=O)NNc1nc(O)c2cnn(C)c2n1 1117675932 VZCXZOWFYDMLFH-LBPRGKRZSA-N 292.299 -0.161 50 20 CBGD COC(=O)Cc1ccc(NNC(=O)[C@@H]2CC(=O)N2)cc1 1118776079 PTUHQUXADKENLF-JTQLQIEISA-N 277.280 -0.266 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@H]1CCC(=O)N1 1261745880 TVXVBNJPBAPSCX-DJLDLDEBSA-N 269.301 -0.773 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CCC[C@H]1OC 1319931121 YVBGUAIDEBYTPD-HTQZYQBOSA-N 273.289 -0.695 50 20 CBGD CS(=O)(=O)CCC(=O)NNc1nc2ccccn2n1 1321075794 QQALLAGTSJVZCT-UHFFFAOYSA-N 283.313 -0.393 50 20 CBGD O=C(NCc1ncccc1F)NNC(=O)C(=O)NC1CC1 1321202815 RCOPBWWKCOHFDF-UHFFFAOYSA-N 295.274 -0.670 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCn1cncn1 1327166285 BXXZDCHKXDXNTO-BDAKNGLRSA-N 267.289 -0.759 50 20 CBGD O=C(NNC(=O)N1CC[C@H](n2cccn2)C1)c1cn[nH]c1 1328730940 BOIKQPVCGRAIFH-JTQLQIEISA-N 289.299 -0.092 50 20 CBGD Cn1cncc1CC(=O)NNc1ncnc2[nH]cnc12 1329062959 VCVIYBRXRGKFBX-UHFFFAOYSA-N 272.272 -0.228 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCc1ccccc1F 1330489874 RIYIVCXFHDFKDY-UHFFFAOYSA-N 283.259 -0.128 50 20 CBGD O=C(CN1CCOC1=O)NNC(=O)C1CCOCC1 1333518822 HCXHRJZZVFNHKY-UHFFFAOYSA-N 271.273 -0.987 50 20 CBGD C=C[C@](C)(O)C(=O)NNC(=O)C(=O)NC(CC)CC 1334106896 SRQMLJFHJAOCJG-LBPRGKRZSA-N 271.317 -0.624 50 20 CBGD CN(C)[C@@H](C(=O)NNc1ccncn1)c1cncn1C 1334804388 ZXVZUFQFXZDREJ-LLVKDONJSA-N 275.316 -0.044 50 20 CBGD COc1c(C(=O)NNC(=O)C(C)(C)O)c(C)nn1C 1343819126 TUTMRMIKCSJSNX-UHFFFAOYSA-N 270.289 -0.731 50 20 CBGD Cc1nn[nH]c1C(=O)NNc1nc2ccccn2n1 1344084130 SLDYBVRVRWHKCW-UHFFFAOYSA-N 258.245 -0.087 50 20 CBGD COCCOCC(=O)NN=Cc1ccc(C(=O)N(C)C)[nH]1 1348850924 UZVVLWKEEPKAKV-UHFFFAOYSA-N 296.327 -0.170 50 20 CBGD C=C(CCC(=O)O)C(=O)NNC(=O)C1CCOCC1 1573336495 CYUZOQAETPJETI-UHFFFAOYSA-N 270.285 -0.019 50 20 CBGD C=C[C@](C)(O)CC(=O)NNC(=O)CCCCCN 1574872346 KFSFHYOVBBTYRY-LBPRGKRZSA-N 257.334 -0.020 50 20 CBGD O=C(O)[C@]1(C(=O)NNc2nc3ccccn3n2)CCCO1 1594866755 BNQSLDQBASNUBQ-GFCCVEGCSA-N 291.267 -0.194 50 20 CBGD O=C(Cn1cc([N+](=O)[O-])cn1)NNc1ncccn1 46577161 QMYSEZPUCNIMGB-UHFFFAOYSA-N 263.217 -0.275 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cccc(C#N)c1 48962047 KOUXYVQAIMVMKF-UHFFFAOYSA-N 254.271 -0.319 50 20 CBGD CNC(=O)NNC(=O)c1ccc(C)c(S(N)(=O)=O)c1 57292293 OZLGFDTYHQBFHA-UHFFFAOYSA-N 286.313 -0.784 50 20 CBGD O=C(Cc1ccc(F)c(F)c1)NNC(=O)C(=O)NC1CC1 87005837 MMSMQYVCGVLNOH-UHFFFAOYSA-N 297.261 -0.067 50 20 CBGD O=C(CO)NNC(=O)c1ccc(-n2cccn2)c(F)c1 182753812 MFOKMUKDOKZNEN-UHFFFAOYSA-N 278.243 -0.235 50 20 CBGD CC(=O)NNC(=O)[C@@H](C)n1nnnc1C(C)(C)C 273500495 YSUDUHASZKMGTG-ZCFIWIBFSA-N 254.294 -0.301 50 20 CBGD CC(=O)CSCC(=O)NNC(=O)N1CCOCC1 278597733 IOUWCVUMNYDDJX-UHFFFAOYSA-N 275.330 -0.618 50 20 CBGD O=C(/C=C/c1c[nH]cn1)NNC(=O)N1CCOCC1 283371438 FAZIQXKEKQRBGS-OWOJBTEDSA-N 265.273 -0.504 50 20 CBGD CN(CC(=O)NNc1cccc(F)n1)S(C)(=O)=O 286136465 BSRYAMBBYSIDGA-UHFFFAOYSA-N 276.293 -0.445 50 20 CBGD C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cccc(B(O)O)c1 584950998 OQAYTSJOPUJCSV-RISCZKNCSA-N 290.172 -0.221 50 20 CBGD C[C@@H](NC(=O)c1ccc(B(O)O)cc1)C1CCOCC1 584959184 DAAYCKUWYOCMEX-SNVBAGLBSA-N 277.129 -0.089 50 20 CBGD CCC(CC)(CO)CNC(=O)c1ccc(B(O)O)cc1 584965306 MWTTVVIUBCGKTM-UHFFFAOYSA-N 279.145 -0.105 50 20 CBGD O=C(NCCO[C@H]1CCCCO1)c1ccc(B(O)O)cc1 584991060 SZYZTJSQUFIFCW-ZDUSSCGKSA-N 293.128 -0.361 50 20 CBGD OB(O)c1ccc(CNC[C@H]2CCN2C2CC2)c(F)c1 585050400 XPDCZSQHUMBBIZ-CYBMUJFWSA-N 278.136 -0.168 50 20 CBGD N#Cc1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cc1 585058296 XFBNDCFYVUUOIO-JTQLQIEISA-N 280.114 -0.204 50 20 CBGD Cc1ccn2cc(C(=O)NNC(=O)CN(C)C)nc2c1 727761439 DPUCELVBQPQUCO-UHFFFAOYSA-N 275.312 -0.035 50 20 CBGD CNC(=O)NNC(=O)c1cnn(-c2ccc(F)cc2)n1 737808838 UKTOTQHDMAGNSC-UHFFFAOYSA-N 278.247 -0.020 50 20 CBGD C[C@@H]1CSCCN1CC(=O)NNC(=O)C1CC1 738340791 OZSYITAJWASBGP-MRVPVSSYSA-N 257.359 -0.019 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](CC(N)=O)C1 746675924 REYRZIFQFZXVJM-NXEZZACHSA-N 284.360 -0.480 50 20 CBGD Cn1cc(C(=O)NNC(=O)CC[C@H]2CCOC2)cn1 751278227 WLOZNDUTJPDVCV-VIFPVBQESA-N 266.301 -0.002 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1CCOC1 752707129 VJZJJSFDFPEFJD-BDAKNGLRSA-N 275.305 -0.843 50 20 CBGD CC(C)Oc1cc(C(=O)NNC(=O)CO)ccn1 753444325 JAOMWRVNIPIBAG-UHFFFAOYSA-N 253.258 -0.378 50 20 CBGD Nc1ncccc1C=NNC(=O)CNC(=O)c1cccnc1 764697868 CFIFSHRBEPCRSY-UHFFFAOYSA-N 298.306 -0.061 50 20 CBGD CC(=O)NNC(=O)Nc1ccc(-n2nccn2)nc1 765149040 WXGBEUJMWDXYCU-UHFFFAOYSA-N 261.245 -0.165 50 20 CBGD CC(C)(C)C(=O)NNC(=O)Cn1cnc(C#N)c1C#N 766375918 MOGHNKYMJIQKEY-UHFFFAOYSA-N 274.284 -0.180 50 20 CBGD CCOc1nc(C(=O)NNC(=O)C(C)(C)O)co1 768243446 FCPLOVWXEDDRKO-UHFFFAOYSA-N 257.246 -0.395 50 20 CBGD COC(=O)CNC(=O)NN=C(C)c1nccn1C 779822624 GDRVSRSZTHAYOR-UHFFFAOYSA-N 253.262 -0.384 50 20 CBGD COCC(=O)NN[C@@H](Cc1ccc(F)cc1)C(N)=O 784070078 PVWPBLMIJDIVTM-JTQLQIEISA-N 269.276 -0.511 50 20 CBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)c1cccn1C 788631554 ZEDQOESDXVUDQD-XPUUQOCRSA-N 266.257 -0.717 50 20 CBGD CO[C@@](C)(CNC(=O)NNC(=O)C(=O)NC1CC1)C1CC1 813202578 FPLNJPXHABYYEP-ZDUSSCGKSA-N 298.343 -0.590 50 20 CBGD Cc1c[nH]nc1C=NNC(=O)N[C@H]1CCS(=O)(=O)C1 814815637 FNALXXLQZYXEIV-QMMMGPOBSA-N 285.329 -0.462 50 20 CBGD COCCCNC(=O)NN=C(C)c1cnnn1C 814820158 YUVRGXQKNQVZFZ-UHFFFAOYSA-N 254.294 -0.125 50 20 CBGD CCOC(=O)[C@H](CC(=O)NNC(=O)NCC1CC1)C(C)=O 823810471 NRLTVLGFTNCBRD-SNVBAGLBSA-N 299.327 -0.115 50 20 CBGD C[C@H](CO)N(C)NC(=O)C(F)(F)C1(O)CCC1 823945935 ARGZGLXIIMOGPD-SSDOTTSWSA-N 252.261 -0.120 50 20 CBGD CCN(CC)S(=O)(=O)CC(=O)NN(C)[C@@H](C)CO 823959792 PNBUSGUERORPPR-VIFPVBQESA-N 281.378 -0.998 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@](C)(C(=O)O)C1 828570437 DUOTZFACRXGRRE-UFBFGSQYSA-N 271.317 -0.271 50 20 CBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)c1ccc(Cl)nc1 841383200 ZTIYHWYXITUOED-XRGYYRRGSA-N 298.686 -0.007 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)NC[C@H](N)C(C)C)n1 841943626 LQXHLTCKWVKTRI-NSHDSACASA-N 296.375 -0.186 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843974641 CMBBUPSJSUQZJO-DJLDLDEBSA-N 286.332 -0.604 50 20 CBGD CCN(C)C(=O)CNC(=O)NNC(=O)c1cccc(F)n1 852261192 NACPVRRUEUUQGE-UHFFFAOYSA-N 297.290 -0.357 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(N(C)C)CC1 855007021 SAKLCBYSJZSGCW-IUCAKERBSA-N 255.318 -0.347 50 20 CBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNC(=O)c1cccc(F)n1 856427440 XPKLKSXBFGZSOZ-SVGQVSJJSA-N 282.231 -0.521 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)c2cccc(Cl)n2)C1 857324046 AYWZJRAQJLBPIX-SECBINFHSA-N 298.730 -0.173 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CC=CCC2)N1 862449843 KRBMYBXQESLBAT-DTWKUNHWSA-N 251.286 -0.231 50 20 CBGD CCCCO[C@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862454198 RKFSOWZTHJCDNV-BDAKNGLRSA-N 271.317 -0.382 50 20 CBGD Cn1nnc2cc(C=NNC(=O)[C@H]3CCC(=O)N3)ccc21 863148519 DIWDHDSVQPYDTD-SECBINFHSA-N 286.295 -0.303 50 20 CBGD CCOC(=O)CCCNC(=O)c1cc(B(O)O)ccc1F 863870095 YECHSNHEZBUDLL-UHFFFAOYSA-N 297.091 -0.421 50 20 CBGD CCOC(=O)[C@H](C)NCc1ccc(B(O)O)cc1 877471637 VQDKIJQMXWOWFH-VIFPVBQESA-N 251.091 -0.592 50 20 CBGD COC(=O)c1ccn(CC(=O)NN(C)C2CC2)n1 880347221 WFIPQWJQYPUKEW-UHFFFAOYSA-N 252.274 -0.205 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cc2n(n1)CCCO2 910151549 CIVJHUNEEKCOQS-MRVPVSSYSA-N 254.290 -0.377 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C(=O)c2cnn(C)c2)o1 1116226653 YTUHHXCCMWCGKW-UHFFFAOYSA-N 276.252 -0.035 50 20 CBGD COC(=O)NCCC(=O)NNC(=S)NC(C)C 1251698429 JEBFIKALYZCHJL-UHFFFAOYSA-N 262.335 -0.364 50 20 CBGD Cc1nnc(CNCc2ccc(B(O)O)cc2)n1C 1262008131 BRGUFHJSTCXIHV-UHFFFAOYSA-N 260.106 -0.907 50 20 CBGD O=C(CN1C(=O)CCC1=O)NNc1ccc(F)cn1 1263855115 ZOLSLQBUUWWQNW-UHFFFAOYSA-N 266.232 -0.187 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNc1nnc(C)c(O)n1 1318076277 VXIOYLNKJISGHB-YFKPBYRVSA-N 268.277 -0.757 50 20 CBGD COc1cccc(NNC(=O)CC[C@H]2NC(=O)NC2=O)n1 1320793298 QESMZQMZUZCFJJ-SSDOTTSWSA-N 293.283 -0.479 50 20 CBGD O=C(NNC(=O)C1CCC1)c1cnn2c(=O)cc[nH]c12 1321485678 OFDLLYCZAIRWAJ-UHFFFAOYSA-N 275.268 -0.416 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cnns1 1322029753 OEPUTTNFLVSQNA-UHFFFAOYSA-N 285.329 -0.396 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@]2(F)CCOC2)CC1 1323045775 SKLSPZJUWBLGJX-LLVKDONJSA-N 274.296 -0.897 50 20 CBGD COCc1nocc1C(=O)NNC(=O)N1CCOCC1 1324306484 UMIBJTGLLCLVHH-UHFFFAOYSA-N 284.272 -0.492 50 20 CBGD NC(=O)c1ccccc1C=NNC(=O)CN1CCCC1=O 1324462794 RJXZWTWWAZDSFN-UHFFFAOYSA-N 288.307 -0.142 50 20 CBGD CNS(=O)(=O)C[C@H]1CCCN1C(=O)CCl 1324706075 GQXGEAASMSTHOF-SSDOTTSWSA-N 254.739 -0.235 50 20 CBGD CC(C)NC(=O)CCNC(=O)NNC(=O)c1cn[nH]c1 1329141051 MXPOLSORLAXGCT-UHFFFAOYSA-N 282.304 -0.732 50 20 CBGD C/C=C\C[C@@H](CO)NC(=O)NNC(=O)c1cn[nH]c1 1331313669 YRBMDGDPKFSQAI-XADBCAIWSA-N 267.289 -0.319 50 20 CBGD COCC(=O)NCCC(=O)NN[C@H](C)C(F)(F)F 1331671042 OPIMQCBEWGBDNB-ZCFIWIBFSA-N 271.239 -0.289 50 20 CBGD CC(C)NC(=S)NNC(=O)C[C@@H]1COC(=O)C1 1333396974 ADPGRQCRRYGECU-ZETCQYMHSA-N 259.331 -0.157 50 20 CBGD C[C@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)CS(C)(=O)=O 1335365456 AORDTVXDTUVJKU-HTQZYQBOSA-N 290.341 -0.816 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CCCCS1(=O)=O 1338268571 WZGSEXGQFGGBKH-ZETCQYMHSA-N 263.319 -0.744 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)C[C@@H]1CCC(=O)N1 1350619310 DOYGCZWHLWSKHL-JTQLQIEISA-N 276.296 -0.560 50 20 CBGD CNCCCCC(=O)NNC(=O)C(=O)Nc1ccccn1 1578683730 OPDPRHFJCZSHRQ-UHFFFAOYSA-N 293.327 -0.443 50 20 CBGD CC(C)NC(=S)NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1589725119 CWJVKSXVHRWJGO-UHFFFAOYSA-N 294.344 -0.288 50 20 CBGD O=C(NNc1ncccn1)c1c[nH]c(-c2nn[nH]n2)c1 1593166342 IEJXKQKNXBEUOL-UHFFFAOYSA-N 271.244 -0.258 50 20 CBGD CCc1ccc(NC(=O)C(=O)NNC(=O)C(=O)O)cc1C 1597539975 NHKPEQFDCWEKSV-UHFFFAOYSA-N 293.279 -0.272 50 20 CBGD O=C(O)[C@@H]1CC[C@H](C(=O)NNC(=O)[C@H]2CCCCO2)O1 1601555624 AVSSUHRIHNYRKR-HLTSFMKQSA-N 286.284 -0.665 50 20 CBGD O=C(O)CNC(=O)NN=Cc1ccc(CO)cc1 1602072153 SHXCUVYGWPZIOU-UHFFFAOYSA-N 251.242 -0.103 50 20 CBGD C[C@]1(CNC(=O)NNC(=O)C(=O)O)C[C@H]1Br 1604577171 FHRQFLMFVZJZTH-SPGJFGJESA-N 294.105 -0.425 50 20 CBGD Cc1[nH]c(C(=O)O)c(C)c1C(=O)NNC(=O)CO 1607492347 LAIVJIDRYWQADQ-UHFFFAOYSA-N 255.230 -0.917 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCO1)N[C@H]1C[C@@H](C(=O)O)C1 1608477883 OUHYOEOQGXEBOW-YIZRAAEISA-N 285.300 -0.251 50 20 CBGD O=C(NNC(=O)C1CCOCC1)c1ccnc(C(=O)O)c1 1608479009 GEGCAKHJEASBSZ-UHFFFAOYSA-N 293.279 -0.033 50 20 CBGD O=C(O)c1cnc(N2CC[C@H](B(O)O)C2)c([N+](=O)[O-])c1 1608974479 WFOMLBSSEJAVGR-ZETCQYMHSA-N 281.033 -0.259 50 20 CBGD COc1ccccc1C(=O)NN=C1C(=O)NC(=O)NC1=O 5880598 LYALZZMAIACGKJ-UHFFFAOYSA-N 290.235 -0.853 50 20 CBGD CC[C@@H](C(=O)NNC(=O)c1cc(C)n[nH]1)N1CCCC1=O 151228695 TUUVBUVGRRVLPH-JTQLQIEISA-N 293.327 -0.120 50 20 CBGD COC(=O)C[C@H](C)C(=O)NNC(=O)N1CCOCC1 268223876 SXFPUGCPSTZHST-QMMMGPOBSA-N 273.289 -0.741 50 20 CBGD O=C(NNc1ncnc2ccsc12)[C@H]1C[C@H](O)CN1 269221824 JOGPZTKPECNHQW-POYBYMJQSA-N 279.325 -0.143 50 20 CBGD COC1(C(=O)NNC(=O)c2cnn(C)c2)CCC1 273236547 SKHYAZQXEWBGIT-UHFFFAOYSA-N 252.274 -0.250 50 20 CBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNC(=O)N(C)C 279487980 IVARYQFCJVSHDT-CYBMUJFWSA-N 296.327 -0.790 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(C)(C)N2CCOCC2)[nH]n1 283227888 OPSVXIMUJAGCMG-UHFFFAOYSA-N 295.343 -0.410 50 20 CBGD COC(=O)COCC(=O)NNc1ccnc(F)c1 288385942 FQEJXKGWHGTXNF-UHFFFAOYSA-N 257.221 -0.147 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)C(C)(C)O)n1C 294830625 HBOHSWYEDOGQOQ-UHFFFAOYSA-N 283.284 -0.656 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C 491015040 ZFDFJGFANXMTEN-FBACALJWSA-N 272.326 -0.020 50 20 CBGD O=C(N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO)c1cccc(B(O)O)c1 584962605 IQXHOBGNNVKPAE-NUZBWSBOSA-N 289.140 -0.497 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCOC[C@H]1C1CC1 584967319 JBHYNJDRFCDISK-ZDUSSCGKSA-N 293.103 -0.244 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCC(CCO)CC1 584967552 LYKRVRSAVSUTEZ-UHFFFAOYSA-N 295.119 -0.260 50 20 CBGD C[C@]1(NC(=O)c2cccc(B(O)O)c2)CCCOC1 584969734 IJICFCYRHWAQSF-ZDUSSCGKSA-N 263.102 -0.335 50 20 CBGD OB(O)c1ccc(CNC[C@H]2CCN(C3CC3)C2)o1 585017615 FCPZJKKHYLUXFE-SNVBAGLBSA-N 264.134 -0.467 50 20 CBGD OB(O)c1ccccc1CNCCCn1cncn1 585022454 ZKTDGOZVUURRAP-UHFFFAOYSA-N 260.106 -0.862 50 20 CBGD OB(O)c1ccc(CNCCCCn2cnnc2)o1 585027673 XKGLBFODXMWSLM-UHFFFAOYSA-N 264.094 -0.879 50 20 CBGD OB(O)c1ccc(CNC[C@]2(O)C[C@H]3C=C[C@H]2C3)o1 585046958 DWRXMWSXRKZFLG-OUJBWJOFSA-N 263.102 -0.624 50 20 CBGD C[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@@H](B(O)O)C1 585069947 UDTFSNRJQCFEBR-MWLCHTKSSA-N 282.149 -0.243 50 20 CBGD CN1CC[C@@H](N(C)S(=O)(=O)CBr)C1=O 690249866 PEFOEDRNLOBGOQ-ZCFIWIBFSA-N 285.163 -0.169 50 20 CBGD Cc1nc(S(=O)(=O)NNC(=O)C(C)C)cn1C 727113953 ZFXQFSLNWGAJTO-UHFFFAOYSA-N 260.319 -0.306 50 20 CBGD CSC[C@@H](C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 731324043 IBKPPLQDXQGRAP-HTQZYQBOSA-N 294.398 -0.432 50 20 CBGD CN(C)CC(=O)NNC(=O)c1sccc1-c1nn[nH]n1 736765498 XMJNFYZGTDLSAX-UHFFFAOYSA-N 295.328 -0.749 50 20 CBGD O=C(NNC1=N[C@H]2C=C[C@H]1C2)N[C@@H]1CCS(=O)(=O)C1 739410957 ABPSBHIHHPPQEX-XHNCKOQMSA-N 284.341 -0.666 50 20 CBGD Cn1cc(C(=O)NNC(=O)N2CCOCC2)cn1 745991619 ADZIEWIEKWQZHT-UHFFFAOYSA-N 253.262 -0.893 50 20 CBGD CNC(=O)[C@H](C)CN(C)CC(=O)NNC(=O)C(C)(C)C 747967270 QWGUBAHQAVTWBH-SECBINFHSA-N 286.376 -0.506 50 20 CBGD CNC(=O)NNC(=O)CCOc1ccc(C(N)=O)cc1 748703010 NPZPQAXJLGZTHO-UHFFFAOYSA-N 280.284 -0.485 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](CO)C1 748809995 OTISVXMLTGUDSD-ZJUUUORDSA-N 257.334 -0.363 50 20 CBGD O=C(NNC(=O)c1cnccn1)Nc1cccnn1 757660341 DTVZCRPNICHUDT-UHFFFAOYSA-N 259.229 -0.267 50 20 CBGD CCc1nnc(C)cc1C(=O)NNC(=O)CN(C)C 760243790 QLIAQYSAHHNIOP-UHFFFAOYSA-N 265.317 -0.330 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CCN1C 761073563 BOESWCZGHJQDQO-JTQLQIEISA-N 270.377 -0.184 50 20 CBGD CCSc1cccc(NC(=O)C(=O)NNC(=O)CO)c1 764422250 RAOPLWIPYMDCKK-UHFFFAOYSA-N 297.336 -0.123 50 20 CBGD CC(=NNC(=O)C(=O)NC(C)C)c1cc(C(N)=O)n(C)c1 767230068 WJCLQYKRESBEEK-UHFFFAOYSA-N 293.327 -0.511 50 20 CBGD COC(=O)c1cc(S(=O)(=O)NNC(C)=O)ccc1F 775249157 FSAGOVZHUNMRDV-UHFFFAOYSA-N 290.272 -0.058 50 20 CBGD CC[C@H]1C(=O)N(CC)CCN1CC(=O)NNC(=O)C1CC1 778418377 MKFVOOIUFFSXPG-NSHDSACASA-N 296.371 -0.514 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)c1ccc(C#N)cc1 780918084 PVCCPITWKNKONE-UHFFFAOYSA-N 274.280 -0.155 50 20 CBGD C=C(CO)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 791311346 XKMFVVKWXKCEMK-UHFFFAOYSA-N 278.264 -0.233 50 20 CBGD CC[C@H](C)[C@H](NC(C)=O)C(=O)NNC(=O)c1cnn(C)c1 796527863 CLKXVVPINILQDY-KWQFWETISA-N 295.343 -0.268 50 20 CBGD CCC(=O)NNC(=O)Nc1ccc(S(N)(=O)=O)cc1 797358499 MREYFSTXHITSQL-UHFFFAOYSA-N 286.313 -0.103 50 20 CBGD O=C(CO)NNC(=O)c1ccc(NCC2CC2)nc1 800695314 MEEAPGBWUILJBY-UHFFFAOYSA-N 264.285 -0.343 50 20 CBGD C[C@H](C(=O)NNC(=O)N=c1cc[nH]cc1)n1cncn1 802027177 VUXQDDFAQASIOJ-MRVPVSSYSA-N 275.272 -0.491 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CCN(C)CC1 807381199 IJVUWDARIUPGSX-NXEZZACHSA-N 270.333 -0.600 50 20 CBGD O=C(CC1CC1)NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 819118316 QQUJYZHVUHJVHQ-SECBINFHSA-N 265.313 -0.055 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H](CCC)S(N)(=O)=O 823756130 UQBSDPFIOMDXIV-QMMMGPOBSA-N 294.377 -0.426 50 20 CBGD CCN(CCO)NC(=O)[C@H](C)NC(=O)c1ccco1 823833437 CEMZPXKBOKXXDH-VIFPVBQESA-N 269.301 -0.257 50 20 CBGD Cc1ccnc2nc(C(=O)NN(C)[C@@H](C)CO)nn12 823977356 UXOJJMIYGIEYAP-QMMMGPOBSA-N 264.289 -0.610 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC(C)(O)CC1 827269157 VMKNIDHIAQRGQY-VHSXEESVSA-N 285.344 -0.001 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC(=O)N(C)C[C@H]1C 827276378 ZXDQIBJXVGDAMZ-KXUCPTDWSA-N 298.343 -0.685 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2CCNC2=O)n1 829483298 XGZNITDBUITALP-ZETCQYMHSA-N 265.273 -0.627 50 20 CBGD CCS(=O)(=O)N[C@@H](C)C(=O)NN=c1cc[nH]cc1 831868404 VQARPOWZMFRGBZ-QMMMGPOBSA-N 272.330 -0.726 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1cnn(C)c1 843647224 LQUCUUBIDAXJLM-PSASIEDQSA-N 266.301 -0.465 50 20 CBGD Cc1[nH]nc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1O 843980090 RFRYAJGOOSAOOX-NKWVEPMBSA-N 268.273 -0.390 50 20 CBGD Cc1cc(NNC(=O)[C@@H]2CCS(=O)(=O)N2)nc(C)n1 846635001 FETZEBSZLMNYDL-QMMMGPOBSA-N 285.329 -0.772 50 20 CBGD CN1C(=O)CC[C@@H]1CC(=O)NNC(=O)CC1CC1 854668207 YVPORHUTXIWCLT-SECBINFHSA-N 253.302 -0.055 50 20 CBGD COC(=O)COCC(=O)NNC(=O)OCC(F)(F)F 856019403 ULXWCQVTFWMSHP-UHFFFAOYSA-N 288.178 -0.504 50 20 CBGD CO[C@H](C1CC1)[C@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858522016 VNQAAXJGRVAIMW-NMLBEHRDSA-N 298.343 -0.591 50 20 CBGD Cc1cnc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 860278273 WCGLEWXBSHIMAH-ZCFIWIBFSA-N 283.313 -0.117 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)N1 862450862 COOQDELHSMBQOT-SECBINFHSA-N 291.311 -0.672 50 20 CBGD CC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cn[nH]c2)C1 862473071 CWZHPCDGHOZKRS-VIFPVBQESA-N 279.300 -0.571 50 20 CBGD COC(=O)[C@H](CC1CC1)NC(=O)c1cccc(B(O)O)c1 863886438 ZPBJLDHYUFIAEP-LBPRGKRZSA-N 291.112 -0.562 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C 869901755 YFGSWRIWLSUVAK-WYFGTUCQSA-N 288.344 -0.144 50 20 CBGD COCCOCC(=O)NNC(=O)C1(O)CCCC1 869909965 NCHHOCNNMPFITC-UHFFFAOYSA-N 260.290 -0.898 50 20 CBGD Cc1cc(N(C)CC(=O)NNC(=O)C2CC2)n[nH]1 879746929 QFDZGKQUDOUHDE-UHFFFAOYSA-N 251.290 -0.288 50 20 CBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)CC(F)(F)F)C(=O)O1 896335462 VRFDBNOVFIVMHX-CRCLSJGQSA-N 283.206 -0.027 50 20 CBGD N#Cc1ccc(NNC(=O)[C@@H]2CN3CCCN2CC3)nc1 899661636 DZVVLLOCSLNMIM-LBPRGKRZSA-N 286.339 -0.214 50 20 CBGD O=C(O)C1(CNCc2ccccc2B(O)O)CCC1 901680268 XAFLUCQVMVNENS-UHFFFAOYSA-N 263.102 -0.289 50 20 CBGD O=C(NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)[C@@H]1CCCCO1 908517360 JMPYSOMROHHJHY-GRLWKWRFSA-N 266.297 -0.072 50 20 CBGD C=CC(C)(C)C(=O)NNC(=O)CN1CCCC1=O 913733744 ULIFMXKQCXOVSV-UHFFFAOYSA-N 253.302 -0.032 50 20 CBGD CN(CCS(N)(=O)=O)C(=O)[C@@]1(C)C[C@H]1Br 913805015 CZSPEHGWIOMNAU-SVRRBLITSA-N 299.190 -0.093 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)NCc1ccco1 920857466 NTGSUOOYLGAWST-ZETCQYMHSA-N 268.273 -0.365 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@@H]1C(=O)NCC1(C)C 931659361 WXWLLPWUXDXJJH-MWLCHTKSSA-N 298.387 -0.317 50 20 CBGD CCc1cc(CNC(=O)NNC(=O)C(=O)NC2CC2)on1 1116119529 JCIYFRKCXUVUEZ-UHFFFAOYSA-N 295.299 -0.654 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H](C)c1noc(C)n1 1117436502 DDIGGIUUXGCARZ-LURJTMIESA-N 271.277 -0.194 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H](C)c1noc(C)n1 1117436503 DDIGGIUUXGCARZ-ZCFIWIBFSA-N 271.277 -0.194 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnc(C2CC2)[nH]1 1255309950 IAXDMZAEUYQFQR-UHFFFAOYSA-N 251.290 -0.390 50 20 CBGD O=C1NCCN1CCNS(=O)(=O)CCCCl 1260049800 HWAVGFYWJAZHAL-UHFFFAOYSA-N 269.754 -0.440 50 20 CBGD Cc1nn(C)cc1CCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1261841906 GTZNSRHYUUXYIA-JTQLQIEISA-N 293.327 -0.913 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1CCCN(C(N)=O)C1 1317808643 GFGDHAMXZUTNOX-MRVPVSSYSA-N 287.389 -0.319 50 20 CBGD O=C(CC1CCOCC1)NNC(=O)C(=O)NC1CC1 1318566145 RTUNJQJZRLYQDH-UHFFFAOYSA-N 269.301 -0.771 50 20 CBGD Cn1ccnc1CNC(=O)NNC(=O)Cc1ccncc1 1318891738 QARGSZOYSAYIPK-UHFFFAOYSA-N 288.311 -0.112 50 20 CBGD COC(=O)C(=O)NN=Cc1ccc([N+](=O)[O-])c(O)c1 1318965838 MVJNOXMQJNYKNJ-UHFFFAOYSA-N 267.197 -0.077 50 20 CBGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=S)NC(C)C 1319280442 QOMDJRDSBWXPMF-UHFFFAOYSA-N 298.368 -0.234 50 20 CBGD O=C(NN=Cc1cnc[nH]1)N[C@@H]1CCS(=O)(=O)C1 1319495398 DUXUDWCJGFNMLA-SSDOTTSWSA-N 271.302 -0.770 50 20 CBGD CS(=O)(=O)NCCC(=O)N1CC=C(C#N)CC1 1319939493 IMZRBAZPIAKNAJ-UHFFFAOYSA-N 257.315 -0.392 50 20 CBGD O=C(NNc1ncnc2[nH]cnc12)c1cncnc1 1321083961 KMDACOZJYCYNGW-UHFFFAOYSA-N 256.229 -0.100 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cnc(C)s1 1321139047 IQEQMSJYPZCBBU-UHFFFAOYSA-N 256.287 -0.053 50 20 CBGD Cc1cc(=O)c(C(=O)NNC(=O)N=c2cc[nH]cc2)c[nH]1 1321308113 YSGXSFLBUMWVSC-UHFFFAOYSA-N 287.279 -0.033 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cnn(C)c1)n1cncn1 1325024433 XNOWLGXSLMSAAG-ZETCQYMHSA-N 263.261 -0.966 50 20 CBGD COC[C@@H](CNC(=O)NNC(=O)c1ccc[nH]1)OC 1325096587 PHPFRHFNMCIRRC-MRVPVSSYSA-N 270.289 -0.380 50 20 CBGD O=C(CC[C@@H]1NC(=O)NC1=O)NNc1ncccc1F 1329292930 UFAXIOIYVMBVIU-ZETCQYMHSA-N 281.247 -0.348 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CCn2cncc2C1 1332146295 HJMAPCPBXNHWIE-JTQLQIEISA-N 296.327 -0.744 50 20 CBGD Cc1conc1NC(=O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1332156947 LDJKYSPGNPTCAU-JGVFFNPUSA-N 296.283 -0.506 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cn(C2CCNCC2)nn1 1332432481 YGOOZXFZROWELH-UHFFFAOYSA-N 295.347 -0.491 50 20 CBGD CC(C)CC(=O)NNC(=O)C(=O)Nc1cnn(C)c1 1337970265 XVVSDGZCIDTYRK-UHFFFAOYSA-N 267.289 -0.448 50 20 CBGD COCCC(=O)NNC(=O)C(=O)Nc1ccccn1 1340292173 JFPIBSSJEYUEMT-UHFFFAOYSA-N 266.257 -0.796 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1noc2c1COCC2 1348051466 HONAUJBLXVGYNU-UHFFFAOYSA-N 296.283 -0.566 50 20 CBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)[C@@H]1CCCCO1 1348695712 LGHKSAOLPGJGDL-UTUOFQBUSA-N 296.371 -0.909 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)Cn1ccc(C(=O)O)n1 1589831752 HDEDCQAANGUKRE-UHFFFAOYSA-N 299.356 -0.125 50 20 CBGD COCCN(C)NC(=O)[C@H]1CO[C@@H](CCC(=O)O)C1 1604583872 HTCSIBGCUZBWHY-ZJUUUORDSA-N 274.317 -0.134 50 20 CBGD CC1CCN([C@H](C)CNC(=O)NNC(=O)C(=O)O)CC1 1609860180 QNONBNKMALUZSP-SECBINFHSA-N 286.332 -0.478 50 20 CBGD NC(=O)C(=O)NN=C1CCc2cccc(C(=O)O)c21 1776015544 DFPAZOZSNOGRRX-UHFFFAOYSA-N 261.237 -0.363 50 20 CBGD O=C(Cn1nc2ccccn2c1=O)NNc1ncccn1 44717266 WSWIYQFBPNXULO-UHFFFAOYSA-N 285.267 -0.571 50 20 CBGD O=C(NNC(=O)c1ccccc1F)c1n[nH]c(O)n1 48722908 PKWWSRZEQKNKBZ-UHFFFAOYSA-N 265.204 -0.276 50 20 CBGD CCNC(=O)NNC(=O)c1ccnc(-n2cncn2)c1 49314425 RMZYGDAQTKKCCH-UHFFFAOYSA-N 275.272 -0.374 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)CC(=O)N(CC)CC 109826980 WVSOSQZYXRFVDJ-JTQLQIEISA-N 286.376 -0.268 50 20 CBGD COC(=O)N(C)CCCC(=O)NNC(=O)NC1CC1 264146568 HFFTYACPGYFPIW-UHFFFAOYSA-N 272.305 -0.042 50 20 CBGD CCCc1[nH]nc(C(=O)NNC(=O)NC)c1[N+](=O)[O-] 265623503 HZNGVISRAZJJNF-UHFFFAOYSA-N 270.249 -0.156 50 20 CBGD COC(=O)NCC(=O)NNc1cccc(OC)n1 272539090 ORJFLURDZGORAB-UHFFFAOYSA-N 254.246 -0.111 50 20 CBGD COC(=O)c1cccc(NNC(=O)CS(C)(=O)=O)c1 272886042 ZVRMVNZYZZLEOG-UHFFFAOYSA-N 286.309 -0.039 50 20 CBGD CC1CCN(C(=O)C(=O)NNC(=O)NC2CC2)CC1 277708683 MJIWHWSGHGVEKJ-UHFFFAOYSA-N 268.317 -0.262 50 20 CBGD O=C(NNC(=O)C1CC1)c1cc([N+](=O)[O-])cnc1O 281319570 SSGSHARBZVOHTJ-UHFFFAOYSA-N 266.213 -0.134 50 20 CBGD COC(=O)NNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 490576084 JLQGHTGSAJPRCK-YUMQZZPRSA-N 283.284 -0.451 50 20 CBGD NC(=O)CC1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584930503 LZVLYWSPZIGXHZ-UHFFFAOYSA-N 290.128 -0.906 50 20 CBGD O=C(NC1CCOCC1)c1cc(B(O)O)ccc1F 584932034 FGBZSTQHNDZGHO-UHFFFAOYSA-N 267.065 -0.586 50 20 CBGD C[C@H]1CC[C@H](CO)CN1C(=O)c1ccc(B(O)O)cc1 584968428 XEZHREHLRNPEMC-QWRGUYRKSA-N 277.129 -0.401 50 20 CBGD CC[C@H](CO)N(C)C(=O)c1cccc(B(O)O)c1 584994548 KNFXLWCEKOISMC-LLVKDONJSA-N 251.091 -0.791 50 20 CBGD CC[C@@H]1[C@H](CO)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584995023 HJWTXUFKPWBHBS-GXFFZTMASA-N 295.119 -0.262 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@H](CF)C1 585002057 LHDWGMLKRIMUCG-NSHDSACASA-N 267.065 -0.823 50 20 CBGD CCn1cc(CNC(=O)c2ccc(B(O)O)c(F)c2)nn1 585006257 CGHUXSMAPIEDPF-UHFFFAOYSA-N 292.079 -0.953 50 20 CBGD C[C@H](CCS(C)(=O)=O)NCc1ccccc1B(O)O 585030833 JUBVQIKPNUOLKR-SNVBAGLBSA-N 285.174 -0.721 50 20 CBGD O=C1CC[C@H](c2nc(-c3ccc(B(O)O)cc3)no2)CN1 585051255 ZPJJAYXFZCAJMS-VIFPVBQESA-N 287.084 -0.590 50 20 CBGD Cn1cc(S(=O)(=O)N2CC[C@H](B(O)O)C2)nc1Cl 585058704 NJSQCCNEHYPELE-LURJTMIESA-N 293.541 -0.689 50 20 CBGD Cc1cc(F)cc(C(=O)NCB(O)O)c1[N+](=O)[O-] 585059719 YCBHMKKQDNUQSV-UHFFFAOYSA-N 255.998 -0.216 50 20 CBGD C#CCNC(=O)c1ccc(N2CC[C@@H](B(O)O)C2)nc1 585074397 YHPNCJBJIOESDT-LLVKDONJSA-N 273.101 -0.502 50 20 CBGD CCOCC(=O)NNC(=O)NCCNC(=O)C(C)(C)C 731282353 NTKCTWUMRSEFBP-UHFFFAOYSA-N 288.348 -0.484 50 20 CBGD O=C(NNc1cnccn1)C1(C(=O)NC2CC2)CC1 734244968 CCQALVFHPZXULT-UHFFFAOYSA-N 261.285 -0.022 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCC[C@@H](C)OC 748629114 ZNBZUSHJBXFULE-NXEZZACHSA-N 291.348 -0.207 50 20 CBGD O=C(CN1CCc2c[nH]nc2C1)NNC(=O)C1CC1 750721709 WQSFHHAXNNWQBV-UHFFFAOYSA-N 263.301 -0.675 50 20 CBGD CC(=O)NCC(=O)NNc1nc2ccccc2c(=O)n1C 752908685 BFJNRFREDBXNQE-UHFFFAOYSA-N 289.295 -0.487 50 20 CBGD CCO[C@@H](C)c1ncc(C(=O)NNC(=O)CO)s1 753438820 SBHDQXWWBXRCEP-LURJTMIESA-N 273.314 -0.006 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc2c(c1)COC2 757853692 MUEPBIPZYNVGAI-UHFFFAOYSA-N 251.242 -0.138 50 20 CBGD C[C@@H](C(=O)NNc1cnccn1)N1C(=O)CCC1=O 775281307 QXZJBVDBGQSMND-ZETCQYMHSA-N 263.257 -0.543 50 20 CBGD CC(C)(C)C(=O)N1CCC[C@H](C(=O)NNC(=O)CO)C1 777781720 JDADRDICHXAZGY-VIFPVBQESA-N 285.344 -0.589 50 20 CBGD COCCn1cc(C=NNC(=O)NCC(=O)OC)cn1 779818892 YAPKNELKYXLVCF-UHFFFAOYSA-N 283.288 -0.664 50 20 CBGD O=C(CO)NNC(=O)CC1CCC2(CC1)OCCO2 788591280 NPPMYCFYYRRPGI-UHFFFAOYSA-N 272.301 -0.551 50 20 CBGD C[C@H](CN1CCOCC1)N(C)CC(=O)NNC(=O)C1CC1 789335114 PKZBYWKSLQRPAN-LLVKDONJSA-N 298.387 -0.804 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cn2c(n1)CCCC2 799591698 WHXCAIFQOADIRL-UHFFFAOYSA-N 293.327 -0.094 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)N(CC)CCC#N 800111442 MCDLEARZRSALRI-UHFFFAOYSA-N 277.350 -0.367 50 20 CBGD CN1CCN(C(=O)NNC(=O)CCc2ncccn2)CC1 812556929 FULXZKFNCPIGFF-UHFFFAOYSA-N 292.343 -0.603 50 20 CBGD CNC(=O)NNC(=O)[C@H](CCC(C)C)NC(C)=O 823425086 KWXIBYINSLUXKS-VIFPVBQESA-N 258.322 -0.113 50 20 CBGD C[C@H](CO)N(C)NC(=O)/C(C#N)=C\c1cnn(C)c1 823917042 DDNGBNPYLUORBZ-BUBXLPKJSA-N 263.301 -0.329 50 20 CBGD CO[C@H]1CCC[C@@H](C(=O)NNC(=O)CN(C)C)C1 825708311 FLYKBIYBJMGKIS-ZJUUUORDSA-N 257.334 -0.099 50 20 CBGD O=C(NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1)C(=O)NC1CC1 833149132 GDEUSGKPCOTGRS-JGVFFNPUSA-N 297.311 -0.697 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CC(=O)N(CCC)C1 840237033 DQCRYFAXNKWZJG-SECBINFHSA-N 284.385 -0.074 50 20 CBGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1 843663005 UVRLMJWOLMCPGZ-OUAUKWLOSA-N 297.355 -0.183 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)N1CCN(C)CC1 846639540 PXBIENSOECJLQT-UHFFFAOYSA-N 299.375 -0.863 50 20 CBGD CCNC(=O)NNC(=O)C1=C(C)N(C)c2nnnn2[C@H]1C 847391414 YIBIGFVXMRFLDX-ZETCQYMHSA-N 294.319 -0.692 50 20 CBGD O=C(NC[C@@H]1CCCO1)NNC(=O)[C@@H]1CCOC1 852276208 ATTOIPYGOKKFEV-BDAKNGLRSA-N 257.290 -0.468 50 20 CBGD C[C@@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 858104511 NGUCBSGPJDCFRI-SVRRBLITSA-N 254.290 -0.606 50 20 CBGD CC(=O)NNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C 858109908 ZMAFYAATJJJWIB-SSDOTTSWSA-N 261.278 -0.961 50 20 CBGD Cc1ccc(/C=C\C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 862461894 SKPJWIBOCZVLSW-QZPNVGJNSA-N 288.307 -0.171 50 20 CBGD COC(=O)C(C)(C)CC=NNC(=O)CS(C)(=O)=O 863186267 UOUQOXWVHBJPRK-UHFFFAOYSA-N 278.330 -0.278 50 20 CBGD C[C@@H]1COCCCN1C(=O)c1ccc(B(O)O)cc1 863876418 YLLVNMJJZXTMAP-SNVBAGLBSA-N 263.102 -0.383 50 20 CBGD COCCOCC(=O)NNC(=O)[C@]1(C)CCCOC1 869907081 ASVRMHGFMPXSSA-GFCCVEGCSA-N 274.317 -0.387 50 20 CBGD CCOC(=O)NNC(=O)/C=C1/SCC(=O)N1C 873742161 REJHSAAFDQTQOR-XBXARRHUSA-N 259.287 -0.190 50 20 CBGD C#CCCCC(=O)NNC(=O)C(=O)NCC1CC1 887148170 RAHPNSHMQCBODG-UHFFFAOYSA-N 251.286 -0.537 50 20 CBGD OB(O)c1ccccc1CNCCO[C@@H]1CCCCO1 894792747 DRYAEVGMHIMRBK-CQSZACIVSA-N 279.145 -0.001 50 20 CBGD CO[C@@]1(C(=O)NNC(=O)c2cc[nH]n2)CCSC1 898587882 SFPFQEVCKRJRQZ-JTQLQIEISA-N 270.314 -0.307 50 20 CBGD C[C@@H](O)CN(C)NC(=O)C1(n2cnnn2)CCCCC1 910140790 NEFKBBBWCGQANA-SNVBAGLBSA-N 282.348 -0.324 50 20 CBGD COCCOCC(=O)NNC(=O)c1c2c(nn1C)CCC2 913434222 ZAEYFUSOUGNMKT-UHFFFAOYSA-N 296.327 -0.667 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCc2nc[nH]c2C1 929079526 RNHNNSBKWJNTIK-UHFFFAOYSA-N 289.075 -0.573 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CCCc1cccnc1 1261835386 TXUWCTMSBJZYOK-UHFFFAOYSA-N 299.352 -0.404 50 20 CBGD COc1ccc(C(=O)NNc2ccc(C(N)=O)nn2)cn1 1319141847 GPLUOJGAZOOWRK-UHFFFAOYSA-N 288.267 -0.264 50 20 CBGD CN1CC(=O)N(CCCC(=O)NNc2cccnn2)C1=O 1320056632 DSTGVSKDZOAHJP-UHFFFAOYSA-N 292.299 -0.406 50 20 CBGD O=C(CO)NNC(=O)c1c[nH]c2ccccc2c1=O 1320108148 IYUAPKIBWXPCMB-UHFFFAOYSA-N 261.237 -0.719 50 20 CBGD Cn1cnc(CNC(=O)NNC(=O)CC(F)(F)F)n1 1320486640 GFGZNAAEOZXNNV-UHFFFAOYSA-N 280.210 -0.402 50 20 CBGD Cc1nnc(NNC(=O)CCOC[C@@H]2CCCO2)nc1O 1322934527 OVKIQCJOKGIATM-VIFPVBQESA-N 297.315 -0.086 50 20 CBGD CCn1nc(C)c(CNC(=O)NNC(=O)C(=O)OC)c1C 1323456176 TWZWYCWDYIGNES-UHFFFAOYSA-N 297.315 -0.477 50 20 CBGD CN(C)N(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCS(=O)(=O)C1 1324127764 HFCLLAIVCYDHQO-NSHDSACASA-N 296.352 -0.008 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCc1ccn(C)n1 1325974565 CRGJFNIRVBCZNN-MWLCHTKSSA-N 295.343 -0.282 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cn(CCCCN)nn1 1326354123 RTJZZFQQMJNDPS-UHFFFAOYSA-N 283.336 -0.677 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ccncn1 1326647993 MVNUEJAFZXCJJN-KOLCDFICSA-N 278.312 -0.018 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNc1ccc(C(N)=O)nn1 1328832945 TUKHGAKSDLZKFA-UHFFFAOYSA-N 294.315 -0.819 50 20 CBGD O=C(NNc1cc(Cl)ccn1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 1329247420 BZGGOQAWXWBAOX-FXPVBKGRSA-N 299.714 -0.409 50 20 CBGD Cc1noc(C)c1CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329275848 ZARKBCSOWJLHRY-VIFPVBQESA-N 280.284 -0.740 50 20 CBGD COc1ccnc(C(=O)NNc2ccc(C(N)=O)nn2)c1 1329554293 GANNQMKGLGRCFW-UHFFFAOYSA-N 288.267 -0.264 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C1(Br)CC1 1332328877 PXJJPRPGYLFZDC-UHFFFAOYSA-N 292.133 -0.414 50 20 CBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)C(=O)N2CCCC2)CCO1 1337066324 YWDBQYGEAKXKOA-NXEZZACHSA-N 298.343 -0.493 50 20 CBGD CO[C@]1(CNC(=O)NNC(=O)c2cnn(C)c2)CCOC1 1337967603 AKMQCVCRTLORJO-LBPRGKRZSA-N 297.315 -0.830 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCN(C)c1ccccc1 1339819721 UULDHBUNZFXOCQ-UHFFFAOYSA-N 294.311 -0.374 50 20 CBGD CC(C)C(=O)NNC(=O)[C@@H]1CN2CCN1C[C@H]2C 1346086567 MSSBUFLDQYNABK-ZJUUUORDSA-N 254.334 -0.822 50 20 CBGD O=C(NNC(=O)[C@@H](O)C1CC1)c1n[nH]c2c1CCCC2 1347300964 XVYIWHNEQDMAIY-NSHDSACASA-N 278.312 -0.180 50 20 CBGD CC(C)CC(=O)NNC(=O)NC[C@H](C)N1CCN(C)CC1 1349878206 AYGMGFAKNKXFQA-LBPRGKRZSA-N 299.419 -0.001 50 20 CBGD Cn1ccnc1C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1 1549318334 PCDYVJZTEMUBOL-QWRGUYRKSA-N 277.328 -0.267 50 20 CBGD COc1cccc(NNC(=O)[C@@]2(C)C[C@H](O)CN2)n1 1574041321 GEEOFSWBBTZPIX-QPUJVOFHSA-N 266.301 -0.354 50 20 CBGD O=C(O)CN1CCC[C@@H](C(=O)NNc2ccncn2)C1=O 1595081668 CICBRSLFMKQDHL-QMMMGPOBSA-N 293.283 -0.757 50 20 CBGD O=C(Cn1cc(C(=O)O)cn1)NNC(=O)C1CCOCC1 1601379239 FOTVOJUXCABNNX-UHFFFAOYSA-N 296.283 -0.845 50 20 CBGD C#C[C@@H](NC(=O)NNC(=O)C(=O)O)c1ccccc1 1602674571 RYCLQOVVQRGAAZ-SECBINFHSA-N 261.237 -0.224 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@@H](C(=O)O)[C@H]1C 1603706466 UTHWTFIUYBXOIK-RKDXNWHRSA-N 271.317 -0.415 50 20 CBGD O=C(Cn1cc(C(=O)O)nn1)NN=c1cc[nH]cc1Cl 1608376640 ORACRAGOLWRRRK-UHFFFAOYSA-N 296.674 -0.410 50 20 CBGD O=C(NC[C@@H]1CCC(F)(F)C1)NNC(=O)C(=O)O 1610692742 VKFKOFZQTIVHIF-RXMQYKEDSA-N 265.216 -0.163 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)c2cccc(F)n2)nn1 1776093719 HGYLDNBZIQCTPB-UHFFFAOYSA-N 292.230 -0.339 50 20 CBGD CC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847445906 DESGOYNPVIAGIL-CIUDSAMLSA-N 290.747 -0.484 50 20 CBGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)NC1CC1 8392162 VTHWYDZELWSWBT-UHFFFAOYSA-N 291.263 -0.545 50 20 CBGD COC(=O)[C@@H](CO)NS(=O)(=O)CCCCl 36881229 HYJYICLLLUISHB-ZCFIWIBFSA-N 259.711 -0.931 50 20 CBGD O=C(NCCN1CCOCC1)NNc1cccnn1 77340365 JTEPKNMBSGLQEC-UHFFFAOYSA-N 266.305 -0.565 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2ccn(C)c(=O)c2)[nH]n1 151153298 PSVIMCXXIOQGBH-UHFFFAOYSA-N 275.268 -0.508 50 20 CBGD Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)CO 180946061 VAUZWWBJFYUZTG-UHFFFAOYSA-N 253.214 -0.343 50 20 CBGD CN(C)Cc1cccc(C(=O)NNC(=O)CO)c1 182760897 LMXLZRSXBLIYDF-UHFFFAOYSA-N 251.286 -0.499 50 20 CBGD CC(C)(CC(N)=O)NS(=O)(=O)CBr 230725301 FASYTUDHOBMCLR-UHFFFAOYSA-N 273.152 -0.088 50 20 CBGD COc1ccccc1C(=O)NNC(=O)CCNC(N)=O 264571328 JFRYFGNLLBCENU-UHFFFAOYSA-N 280.284 -0.485 50 20 CBGD CCOCC(=O)NNC(=S)NCCSC 269798818 COEBEOQTVYEYJM-UHFFFAOYSA-N 251.377 -0.119 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)COCc1ccccc1 270451158 CJURDCZPPZGDSL-UHFFFAOYSA-N 294.311 -0.720 50 20 CBGD C[C@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)CN(C)C 280757951 QLIHMULPKSJSPM-BDAKNGLRSA-N 255.318 -0.299 50 20 CBGD CO[C@H]1COC[C@@H]1NC(=O)NNC(=O)Cc1ccccn1 290800226 OZKWGTPSECIODJ-QWRGUYRKSA-N 294.311 -0.632 50 20 CBGD C[C@]12CCC(=O)N1[C@H](C(=O)NNC(=O)C1CC1)CS2 298077877 TYIFJGCAZHRZNM-UFBFGSQYSA-N 283.353 -0.002 50 20 CBGD COC(=O)N(C)NS(=O)(=O)CC1(C(=O)OC)CCC1 496643038 LZPLWMIOXJKXFN-UHFFFAOYSA-N 294.329 -0.138 50 20 CBGD Cc1csc(=O)n1CCOc1ccc(B(O)O)cc1 584909603 NFYYGPPFFOSWGH-UHFFFAOYSA-N 279.126 -0.023 50 20 CBGD CC(=O)N1CCCC[C@H]1C(=O)Nc1cccc(B(O)O)c1 584910077 MJRZRHWVIWWOHO-ZDUSSCGKSA-N 290.128 -0.294 50 20 CBGD NC(=O)[C@H]1CCC[C@@H](C(=O)Nc2cccc(B(O)O)c2)C1 584914408 XCDZPVAEPZIEJA-VHSXEESVSA-N 290.128 -0.403 50 20 CBGD O=C(N[C@H]1CCC[C@@H](O)C1)c1ccc(B(O)O)c(F)c1 584929896 FADKOTXGTLEXEZ-VHSXEESVSA-N 281.092 -0.461 50 20 CBGD CCC(O)(CC)CNC(=O)c1cccc(B(O)O)c1 584952891 QBPDMCVEHKBSSH-UHFFFAOYSA-N 265.118 -0.353 50 20 CBGD CC[C@H](CCO)CNC(=O)c1ccc(B(O)O)cc1 584958740 RZZXUUPFNQZBME-SNVBAGLBSA-N 265.118 -0.495 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)[C@H](C)CN1C 584969320 LEWNQCJSVHYKMQ-WDEREUQCSA-N 276.145 -0.469 50 20 CBGD O=C(NC[C@H]1CC[C@H](O)C1)c1ccc(B(O)O)cc1 584980230 UHFJJXOJKFHPNH-CABZTGNLSA-N 263.102 -0.743 50 20 CBGD C[C@@H](CCO)N(C)C(=O)c1cccc(B(O)O)c1 585004775 MWSCTFGJHXGQIC-VIFPVBQESA-N 251.091 -0.791 50 20 CBGD OC[C@H]1CC[C@H](NCc2ccc(B(O)O)o2)CC1 585028238 HPCGBZSFQHYOGL-MGCOHNPYSA-N 253.107 -0.400 50 20 CBGD OC[C@@H](CC(F)(F)F)NCc1ccc(B(O)O)cc1F 585031763 JLUSKXJFOBVWAN-SECBINFHSA-N 295.041 -0.092 50 20 CBGD OC[C@@H](CC(F)F)NCc1cccc(B(O)O)c1 585037982 OYWFWUBXPSORGQ-SNVBAGLBSA-N 259.061 -0.528 50 20 CBGD OC[C@H](CNCc1ccc(B(O)O)o1)c1ccc(F)cc1 585046910 XCUACAWODIOFCF-NSHDSACASA-N 293.103 -0.036 50 20 CBGD O=C(NCB(O)O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 585061733 FYENXAOXKVFDHA-JTQLQIEISA-N 296.519 -0.179 50 20 CBGD C[C@H](NC(=O)C1CCCC1)C(=O)N1CC[C@@H](B(O)O)C1 585069944 UDTFSNRJQCFEBR-GXSJLCMTSA-N 282.149 -0.243 50 20 CBGD CNC(=O)c1ccc(C(=O)NNC(=O)c2ccccn2)cn1 728512394 SXRWGAGCBVJZKR-UHFFFAOYSA-N 299.290 -0.089 50 20 CBGD CC1(C)C[C@@H]1CNC(=O)NNC(=O)C(=O)NC1CC1 732893011 MPHCILPFLIZNJT-SSDOTTSWSA-N 268.317 -0.359 50 20 CBGD CC(=O)NCc1ccc(C(=O)NNC(=O)CN(C)C)cc1 733359624 LZWQTQBGRGKHND-UHFFFAOYSA-N 292.339 -0.355 50 20 CBGD CO[C@@H](C)CCNC(=O)NNC(=O)c1cnn(C)c1 735514408 YNLWHRHJTXZMJB-QMMMGPOBSA-N 269.305 -0.211 50 20 CBGD CC(C)[C@@H](NC(=O)O)C(=O)NNC(=O)c1cnn(C)c1 736373626 FYTSPCFEFNPHTJ-MRVPVSSYSA-N 283.288 -0.527 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)N1CCCCC1 742028247 FPCKPEVRWSVYBW-UHFFFAOYSA-N 250.324 -0.507 50 20 CBGD CC(=O)N1CCCN(CC(=O)NNC(=O)C(C)(C)C)CC1 744384158 GPPRGFBJKONORI-UHFFFAOYSA-N 298.387 -0.266 50 20 CBGD CCOCC(=O)NN=Cc1c(N)ncnc1OC 747631142 BOOSSYJJTCHHEH-UHFFFAOYSA-N 253.262 -0.446 50 20 CBGD O=C(CN1CCCC1=O)NN=Cc1ccc(C(=O)O)[nH]1 749810724 WMRDDQPCBWUDSR-UHFFFAOYSA-N 278.268 -0.215 50 20 CBGD Cc1nn(CC(=O)NNC(=O)CO)cc1-c1ccccc1 770710316 WTZYBTRBODIORI-UHFFFAOYSA-N 288.307 -0.002 50 20 CBGD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)c1ccc[nH]1 779489109 NJKYGWVIQIDTBL-GMSGAONNSA-N 294.311 -0.949 50 20 CBGD CC(C)[C@H](NC1CCOCC1)C(=O)NN(C)C(N)=O 782124579 OWIDYURPKBYVSK-JTQLQIEISA-N 272.349 -0.179 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc2nncn2c1 787951618 VWWDSJQEEWOCOR-UHFFFAOYSA-N 263.257 -0.739 50 20 CBGD CCCN(CC(N)=O)[C@H](C)C(=O)NNC(=O)CC(C)C 795513463 LNFBCRGUOZIBDW-SNVBAGLBSA-N 286.376 -0.234 50 20 CBGD O=C(COC(=O)c1cnn[nH]1)NNC(=O)c1ccccc1 805608970 LCYISHNJOCXWAX-UHFFFAOYSA-N 289.251 -0.577 50 20 CBGD CN1CCN(C(=O)NN=Cc2cnc(N(C)C)nc2)CC1 814912033 HYPPUDUMRQJGBN-UHFFFAOYSA-N 291.359 -0.167 50 20 CBGD COc1ccnc(NNC(=O)C[C@@H]2CCC(=O)N2)n1 816860044 VILBYHBLZFIKGC-ZETCQYMHSA-N 265.273 -0.403 50 20 CBGD CC(=O)NNC(=O)c1cc(-c2nn[nH]n2)cs1 819810226 CCLIPSDZKZEEHN-UHFFFAOYSA-N 252.259 -0.291 50 20 CBGD Cc1occc1C(=O)NCC(=O)NN(C)[C@H](C)CO 823934159 CXWGHXWDZAYCHR-MRVPVSSYSA-N 269.301 -0.338 50 20 CBGD O=C1C[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CN1 826479249 UROWATSSESWIMU-MRVPVSSYSA-N 287.283 -0.554 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCO[C@@H](C)[C@H]1C 828061443 BZLMEMOKMFXHHG-ZJUUUORDSA-N 257.334 -0.101 50 20 CBGD CC(C)(CC(=O)O)CC(=O)NNC(=O)C(=O)NC1CC1 833454591 NXENFIAPYWGFLW-UHFFFAOYSA-N 285.300 -0.697 50 20 CBGD NC(=O)COc1ccc(C=NNC(=O)NCC(=O)O)cc1 833761602 LSDSIJBXKDZUJY-UHFFFAOYSA-N 294.267 -0.732 50 20 CBGD CN(NC(=O)[C@H]1CCS(=O)(=O)N1)C(=O)OC(C)(C)C 846254131 JEXZODWEFLGBQS-SSDOTTSWSA-N 293.345 -0.424 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)Cc1ccncc1)C(=O)O 848584695 FUYVCMPOAZTFAB-QMMMGPOBSA-N 280.284 -0.325 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)NC[C@H](C)C(=O)O)n1 848588592 WVMVYODXRORMJN-ZETCQYMHSA-N 297.315 -0.449 50 20 CBGD O=C(NNC(=O)C1CCC(O)CC1)c1cc[nH]n1 855355981 DFCKZZRTQULFTN-UHFFFAOYSA-N 252.274 -0.278 50 20 CBGD CC(=O)N[C@H](CCC(C)C)C(=O)NNC(=O)CO 857171234 WLQLETBTIHSRKX-SECBINFHSA-N 259.306 -0.933 50 20 CBGD C[C@@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(F)(F)F 858461812 XFBCLZKXESTGAO-UHNVWZDZSA-N 282.222 -0.454 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2ccc(F)nc2F)N1 861141699 DJILUIYTYWBOSE-ZCFIWIBFSA-N 299.237 -0.209 50 20 CBGD C[C@@H](NNC(=O)Cn1ccc(=O)n(C)c1=O)C(F)(F)F 862307232 JLSKSWVMFQBAJD-ZCFIWIBFSA-N 294.233 -0.881 50 20 CBGD CC(C)(C)OCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862460442 GPQXCZAXXGLGRR-SSDOTTSWSA-N 257.290 -0.773 50 20 CBGD CC[C@H](C)[C@H](NC(C)=O)C(=O)NNC(=O)c1cn[nH]c1 862470227 LGYNWZTUODFGOK-XVKPBYJWSA-N 281.316 -0.279 50 20 CBGD CC(=O)N[C@H](C(=O)NNC(=O)c1cn[nH]c1)C1CCCC1 862473213 JBZXOMZWWUGWPT-NSHDSACASA-N 293.327 -0.134 50 20 CBGD C[C@@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)c1cn[nH]c1 862474892 SMAHIJPBDGDERG-SCZZXKLOSA-N 282.300 -0.245 50 20 CBGD CCN1CCO[C@H](C(=O)NN=c2cc[nH]c(C)c2)C1 862513301 QWMNRFXMQSIJPH-LBPRGKRZSA-N 264.329 -0.024 50 20 CBGD O=C(COc1ccc(B(O)O)cc1)[C@@H]1CCCOC1 863866088 QEKZVBDLBQALPF-SNVBAGLBSA-N 264.086 -0.259 50 20 CBGD OB(O)c1cccc(CNc2cccc(-n3cnnn3)c2)c1 864025699 IKDSYWYRZDPNFF-UHFFFAOYSA-N 295.111 -0.046 50 20 CBGD COCCOCC(=O)NNC(=O)C(=O)c1ccc(C)cc1 869913076 UNNOKAFKCLNFPO-UHFFFAOYSA-N 294.307 -0.012 50 20 CBGD C=CCNC(=S)NNC(=O)/C=C1/SCC(=O)N1C 873765056 GCXDDASMUYBPSD-WEVVVXLNSA-N 286.382 -0.286 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H](C)NC(=O)CC 887142168 YDOCZFMEYWPAES-VIFPVBQESA-N 253.302 -0.148 50 20 CBGD CC(=O)NNC(=O)c1cccc(OCC(N)=O)c1 913466274 RAOHTTYJGASMHN-UHFFFAOYSA-N 251.242 -0.668 50 20 CBGD O=C(CCCN1C(=O)CCC1=O)NNC(=O)C1CC1 915617478 RJPPBIQPPCACAB-UHFFFAOYSA-N 267.285 -0.527 50 20 CBGD CC[C@](C)(O)C(=O)NNC(=O)N1CCN(C)CC1 935861002 YVUMMUWIXQTYIA-NSHDSACASA-N 258.322 -0.864 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)c1nnc(C)s1 1116578712 CELUJCFIVDVTEQ-BYPYZUCNSA-N 287.301 -0.589 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc(Cl)cn1 1116804508 JQGSPRXTBHXZQY-UHFFFAOYSA-N 256.649 -0.159 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@@H]2CCCOC2)N1 1118858884 XSAJSQITWDJJNT-DTWKUNHWSA-N 284.316 -0.978 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 1320510188 JKWQXWSIUYPJEF-UHFFFAOYSA-N 290.279 -0.323 50 20 CBGD O=C(CCO)NNC(=O)Nc1nc2c(s1)COCC2 1325583456 XYSBQLUWCMJHQG-UHFFFAOYSA-N 286.313 -0.249 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@@H]2NC(=O)O[C@H]2C)cc1 1331434722 QTDPTQJVMRFYMB-OIBJUYFYSA-N 293.279 -0.047 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)C(=O)N2CCCC2)CCO1 1337066327 YWDBQYGEAKXKOA-ZJUUUORDSA-N 298.343 -0.493 50 20 CBGD CN(C)C(=O)NNC(=O)c1cc(Cn2cccn2)on1 1343858463 OLDLSGJUYBTAAP-UHFFFAOYSA-N 278.272 -0.165 50 20 CBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNc1ccc(C#N)cn1 1347765463 SXFBYEYXODJUAY-PWSUYJOCSA-N 286.339 -0.215 50 20 CBGD CCc1nnsc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1351629545 ZGQTXOMZJVHKAS-ZCFIWIBFSA-N 283.313 -0.860 50 20 CBGD CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)N1CCN(C)CC1 1353680142 WIIRYVZJORZGTN-WDEREUQCSA-N 284.360 -0.210 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1NCC[C@H]2CCCC[C@@H]21 1578413460 PBNREQPWTZCNGV-NTZNESFSSA-N 282.388 -0.136 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)NCc1ccco1 1593908567 HYBTULAEKYGPEU-SSDOTTSWSA-N 271.229 -0.790 50 20 CBGD COCCCNC(=S)N(C)NC(=O)C(C)(C)C(=O)O 1593994585 JRGFYOBYDYQRRL-UHFFFAOYSA-N 291.373 -0.029 50 20 CBGD Cn1cc(NC(=O)c2cccc(B(O)O)c2)cc1C(=O)O 1600965783 UQUKQHFVTHTEGL-UHFFFAOYSA-N 288.068 -0.345 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CC1)c1n[nH]c2c1CCCC2 1601553236 YOIAFTDYGVDLCZ-UHFFFAOYSA-N 292.295 -0.086 50 20 CBGD O=C(O)c1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)on1 1602246751 AJNDKXOIQKNNGP-ZETCQYMHSA-N 283.240 -0.297 50 20 CBGD CC(C)(CNC(=O)NNC(=O)[C@]1(C)CCCO1)C(=O)O 1609676018 KUYFDRHJPNMQRZ-LBPRGKRZSA-N 287.316 -0.003 50 20 CBGD O=C(O)c1cnc(C(=O)NNc2cnccn2)cn1 1611565525 VMOZLMJHYUWYPD-UHFFFAOYSA-N 260.213 -0.278 50 20 CBGD CNC(=O)NNC(=O)c1ccc(CS(C)(=O)=O)cc1 56371598 CREMVOCNEZRXEU-UHFFFAOYSA-N 285.325 -0.195 50 20 CBGD CCNC(=O)NNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 68454631 NEFCTCOVSQFVEB-GFCCVEGCSA-N 297.315 -0.943 50 20 CBGD CN(C)CCN1C[C@H](C(=O)NNC(=O)C(C)(C)C)CC1=O 81257669 VVVQSAPVBLZGFC-SNVBAGLBSA-N 298.387 -0.410 50 20 CBGD COC(=O)[C@H]1COCCN1S(=O)(=O)CCCCl 163534089 CPDCTAURUMFFRI-MRVPVSSYSA-N 285.749 -0.181 50 20 CBGD C[C@@H](CC(N)=O)NS(=O)(=O)CBr 163931318 SYLGJSJBBZOBOL-BYPYZUCNSA-N 259.125 -0.478 50 20 CBGD CNC(=O)NNC(=O)C(=O)NCCCc1ccccc1 264964988 FYKLKODTPQEQEM-UHFFFAOYSA-N 278.312 -0.304 50 20 CBGD CN(NC(=O)CCN1C(=O)COc2ccccc21)C(N)=O 271292926 MKAIRXNXUOKYQA-UHFFFAOYSA-N 292.295 -0.156 50 20 CBGD COC(=O)c1cccc(C(=O)NNC(=O)C(C)(C)O)n1 277882097 DVKGYSPMRQMSIP-UHFFFAOYSA-N 281.268 -0.600 50 20 CBGD COc1cncc(C(=O)NNC(=O)C(C)(C)O)n1 278025163 UBXQEZXRRGCMGJ-UHFFFAOYSA-N 254.246 -0.983 50 20 CBGD COC(=O)N(C)NC(=O)[C@H](c1cncn1C)N(C)C 286563726 ZXTZUDWPXRFLNN-VIFPVBQESA-N 269.305 -0.248 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H](C)n2cncn2)O1 293787707 BWBBSGOTLASLLR-CIUDSAMLSA-N 267.289 -0.446 50 20 CBGD COC(=O)NNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 496419510 XLZURLZWGUVCSJ-MRVPVSSYSA-N 257.290 -0.122 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCc2cncn2C1 584912550 SAAMBLNJOLYRBK-SNVBAGLBSA-N 285.112 -0.236 50 20 CBGD C[C@H](NC(=O)c1cc(B(O)O)ccc1F)[C@H]1CCOC1 584952156 RYXXDLQXNBVXFB-IUCAKERBSA-N 281.092 -0.340 50 20 CBGD CC[C@](C)(O)CNC(=O)c1cccc(B(O)O)c1 584953277 AOJUHLQAZAVFER-LBPRGKRZSA-N 251.091 -0.743 50 20 CBGD O=C(NCCC1=CCOCC1)c1cc(B(O)O)ccc1F 584965667 RMYRTDMDJWAROV-UHFFFAOYSA-N 293.103 -0.028 50 20 CBGD CC[C@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@@H]1O 584967813 MWAGQHTUESHYCQ-CABZTGNLSA-N 263.102 -0.791 50 20 CBGD Cc1nnc(CN(C)C(=O)c2ccc(B(O)O)c(F)c2)o1 585006891 QOZLKALAXVXWPS-UHFFFAOYSA-N 293.063 -0.531 50 20 CBGD OB(O)c1ccc(CNCCCO[C@H]2CCOC2)o1 585029551 AQVNQVKMVHDXIU-NSHDSACASA-N 269.106 -0.755 50 20 CBGD CCC(=O)N1CC[C@@H](NCc2cccc(B(O)O)c2)C1 585030984 NPWJWPOMQDOEDM-CYBMUJFWSA-N 276.145 -0.533 50 20 CBGD CC[C@H](NCc1ccc(B(O)O)cc1F)[C@H](C)O 585044550 MKTIQFMJQWYHDA-UFBFGSQYSA-N 255.098 -0.246 50 20 CBGD O=S(=O)(NCB(O)O)c1cc(F)cc(Cl)c1 585055839 JUJBUWGXEZFBEE-UHFFFAOYSA-N 267.474 -0.231 50 20 CBGD COC[C@@H](C)NC(=O)NNC(=O)Cc1cccnc1 729041385 PNMUAIXNYGJJLI-SECBINFHSA-N 266.301 -0.011 50 20 CBGD CCCNC(=S)NNC(=O)[C@H](C)OCCOC 734026083 OCQOZUMCUFEJGL-QMMMGPOBSA-N 263.363 -0.057 50 20 CBGD CONC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 737024535 SYPKERWHRXDXED-UHFFFAOYSA-N 277.244 -0.628 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)c2c[nH]nc2C)C1 746235453 WRCBXKWUZZPECV-JTQLQIEISA-N 281.316 -0.800 50 20 CBGD CN(C)S(=O)(=O)CCC(=O)NNc1cccnn1 753077568 HODIOZPXAVZOFI-UHFFFAOYSA-N 273.318 -0.799 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 754978257 TYZNXLBVVGADMD-LBPRGKRZSA-N 297.267 -0.247 50 20 CBGD CCCn1cc(C(=O)NNC(=O)Cc2cc[nH]n2)nn1 755280424 WEYLBLTYKPTTFG-UHFFFAOYSA-N 277.288 -0.585 50 20 CBGD COC(=O)c1ccc(NC(=O)NNC(=O)CO)c(F)c1 756402710 ODDVTUAJEJJKJP-UHFFFAOYSA-N 285.231 -0.243 50 20 CBGD COc1nccnc1NNC(=O)c1cc(C(N)=O)c[nH]1 764466268 YJYUGVQRIJXPSV-UHFFFAOYSA-N 276.256 -0.331 50 20 CBGD Cc1cn2ccnc(C(=O)NNC(=O)C(C)(C)O)c2n1 768248422 ZLXQLQKAMPMMOI-UHFFFAOYSA-N 277.284 -0.430 50 20 CBGD O=C(NNC(=O)c1cccn2c(O)nnc12)c1ccccn1 770466787 YSDCYUCSONTKRG-UHFFFAOYSA-N 298.262 -0.095 50 20 CBGD CO[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)C(C)C 771107676 XZRSOCBHLYTRIW-MRVPVSSYSA-N 259.306 -0.671 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(=O)n(C)c1 772014248 VCIYWFWBJAIPAF-QMMMGPOBSA-N 295.295 -0.512 50 20 CBGD CC(C)NC(=O)CN(C)CC(=O)NN=c1cc[nH]cc1 780761550 WABROLVVHLJNBS-UHFFFAOYSA-N 279.344 -0.597 50 20 CBGD C[C@@H](CC(=O)NNC(=O)C(C)(C)O)NC(=O)C1CCCC1 787946207 PRAHQARLZNOIDP-VIFPVBQESA-N 299.371 -0.010 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCCNC(=O)[C@@H]1C 788275189 IPLJKFUFMSCVMK-WDEREUQCSA-N 298.387 -0.221 50 20 CBGD Cn1nncc1C(=O)NNC(=S)NCC1CCC1 799289555 BTEJSJHLLSVXBE-UHFFFAOYSA-N 268.346 -0.276 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@](F)(CO)C1 802013501 DIYPKTGUUNPJDG-ZWNOBZJWSA-N 289.351 -0.025 50 20 CBGD CCNC(=O)CCCC(=O)NNC(=O)N=c1cc[nH]cc1 802035239 COGYYUCAMHAMAV-UHFFFAOYSA-N 293.327 -0.037 50 20 CBGD CN(NC(=O)[C@H]1CCCN1C(=O)C(F)(F)F)C(N)=O 807181947 ZBJRCHJOSALAJT-RXMQYKEDSA-N 282.222 -0.419 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)CC[C@H]1CCOC1 815033912 XKPANIMCBSSFBJ-SECBINFHSA-N 279.362 -0.091 50 20 CBGD O=C(CC1CC1)NNC(=O)[C@@H]1COCCN1CC(F)F 819117673 BZVZTRRFCHIYOD-VIFPVBQESA-N 291.298 -0.100 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@](C)(C#N)CC(=O)O)n[nH]1 820963712 NKEGWNKVOWIABZ-LLVKDONJSA-N 279.256 -0.516 50 20 CBGD CC[C@@H]1CN(C)CCN1CC(=O)NNC(=O)C1CC1 823194225 CUZSXKHTHVCTGT-LLVKDONJSA-N 268.361 -0.430 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1C(=O)NCC[C@H]1C 826709999 DCSAURBFFUFTLE-DOLQZWNJSA-N 298.343 -0.734 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](CO)CC1CC1 827276049 YCRSVCFCQIOGSA-LSJOCFKGSA-N 285.344 -0.097 50 20 CBGD Cn1nc(C(=O)NNC(=O)CN2CCCC2=O)cc1Cl 827831812 KAVUVHIDIUVKSZ-UHFFFAOYSA-N 299.718 -0.543 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNc1cc(C)nc(N)n1 828367890 YLSSLWBCEXYMCI-JTQLQIEISA-N 274.328 -0.092 50 20 CBGD C[C@](CN)(NCC(=O)NNC(=O)C1CC1)C1CC1 843355900 LSRHITIVOKIIJT-GFCCVEGCSA-N 254.334 -0.739 50 20 CBGD Cc1ccn(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(=O)c1 843658332 UVGFSYOTQTVBJT-GHMZBOCLSA-N 293.323 -0.271 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cnn(C2CC2)c1 859252080 JCWGZBNEPIRFLT-UHFFFAOYSA-N 274.284 -0.055 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2cccnc2)N1 860466476 YKYDCDNZGREUHR-QMMMGPOBSA-N 263.257 -0.487 50 20 CBGD Cc1ccncc1/C=C\C(=O)NNC(=O)[C@H]1CCC(=O)N1 862461020 KNWLLULQUPBPNV-CJHWANRJSA-N 288.307 -0.171 50 20 CBGD O=C(Cn1cc(C2CC2)cn1)NNC(=O)c1cn[nH]c1 862467482 WTDDPVLSGMOIQT-UHFFFAOYSA-N 274.284 -0.055 50 20 CBGD COC(=O)c1cc(C)nc(N2CC[C@@H](B(O)O)C2)n1 864234435 VQIILXXFZYTXJS-MRVPVSSYSA-N 265.078 -0.375 50 20 CBGD Cc1cc(CC(=O)NNC(=O)COC(F)F)n[nH]1 869016788 QLCYTOPHUTYICS-UHFFFAOYSA-N 262.216 -0.353 50 20 CBGD NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)CCCCl)O1 881985700 DFFHYEUVHCQTKY-SFYZADRCSA-N 284.765 -0.432 50 20 CBGD CS(=O)(=O)N1CC(C(=O)NNc2ncccc2F)C1 908128035 PZOTYKLKCSZHLR-UHFFFAOYSA-N 288.304 -0.445 50 20 CBGD NC(=O)c1ccc(C=NNC(=O)CN2CCCC2=O)cc1 915952847 MDMHOFVKDLCZCD-UHFFFAOYSA-N 288.307 -0.142 50 20 CBGD NC(=O)c1cc(C(=O)NNC(=O)c2ccccn2)c[nH]1 916724633 LWJAFXZQCHKSQP-UHFFFAOYSA-N 273.252 -0.417 50 20 CBGD O=C(NN=CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1116378318 IDGMHMGJWPTDTI-SNVBAGLBSA-N 274.342 -0.050 50 20 CBGD CC(C)(C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C(F)F 1256287211 SBPJJLBCUJKULB-LURJTMIESA-N 298.311 -0.140 50 20 CBGD O=C1CCCCN1CC(=O)N1CC[C@H](B(O)O)C1 1261844658 WRFIJVFYOFKARK-VIFPVBQESA-N 254.095 -0.926 50 20 CBGD Cc1noc(C)c1[C@@H](C)C(=O)NNC(=O)C(=O)NC1CC1 1318102489 VUEYWCUNDCPKIK-ZCFIWIBFSA-N 294.311 -0.179 50 20 CBGD NC(=O)C1(C(=O)NNc2nncc(N)c2Cl)CC1 1319209753 SNQQMNJSAPBHLC-UHFFFAOYSA-N 270.680 -0.579 50 20 CBGD NC(=O)N1CCC[C@H]1C(=O)NNc1nc2ccccn2n1 1320696911 KRIFINIMTGYTBW-QMMMGPOBSA-N 289.299 -0.285 50 20 CBGD COC(=O)c1ccnc(NC(=O)NNC(=O)CCO)c1 1321227579 NNDJSJRYYZGLJK-UHFFFAOYSA-N 282.256 -0.597 50 20 CBGD CCOC(=O)NNC(=O)COCc1nncn1C 1324416446 ZHJJUQRHBYKIFA-UHFFFAOYSA-N 257.250 -0.891 50 20 CBGD Cn1cnc(CNC(=O)NNC(=O)C2CCCC2)n1 1326296799 UFXPZKANFYSWGI-UHFFFAOYSA-N 266.305 -0.164 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCN(C)C1CC1 1326748882 JAZGDHNTVPQFJZ-KOLCDFICSA-N 284.360 -0.164 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NNc1ncncc1F 1328147617 QLWDZVLJYCGCHI-RNFRBKRXSA-N 298.278 -0.302 50 20 CBGD CO[C@@H]1CC[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)C1 1328714980 BDKYUHAJDVAELA-RKDXNWHRSA-N 267.289 -0.079 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F 1330223957 XKYLVRWZBZBMJF-RFZPGFLSSA-N 282.222 -0.739 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cnn(C2CC2)c1 1331295329 GXFDIPKDVQGOPV-UHFFFAOYSA-N 279.300 -0.496 50 20 CBGD O=S(=O)(CC1CCOCC1)N1CC[C@H](B(O)O)C1 1331894201 AYWNIQUSZZKQKB-JTQLQIEISA-N 277.151 -0.709 50 20 CBGD Cc1ncsc1C=NNC(=O)CS(C)(=O)=O 1335347752 VOPVMTSOFOJXOO-UHFFFAOYSA-N 261.328 -0.054 50 20 CBGD COC(=O)C(=O)NNC(=S)NCCc1ccccn1 1339879133 NEQINJICCKIWPI-UHFFFAOYSA-N 282.325 -0.708 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCN[C@H]([C@H]2CCCO2)C1 1575378110 JGKMUYOQLFOUHU-OUAUKWLOSA-N 299.371 -0.548 50 20 CBGD Cc1nnc(NNC(=O)N[C@@H]2CCCN[C@@H]2C)n1C 1579912562 DUHZUWUBEXLAMZ-VXNVDRBHSA-N 267.337 -0.110 50 20 CBGD O=C(NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)[C@H]1CCCNC1 1580732805 JWXHYDPOLFSSBX-GISOBZBCSA-N 265.313 -0.642 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCC12OCCO2)[C@@H]1CCN1 1580733002 LSCXGHZKSYMINO-IUCAKERBSA-N 269.301 -0.961 50 20 CBGD Nc1ccnn1CC(=O)NNc1ccc(-c2nn[nH]n2)cc1 1592761023 UAVSVHMUVYGKKS-UHFFFAOYSA-N 299.298 -0.211 50 20 CBGD CC1(C(=O)O)CN(C(=O)c2cc(B(O)O)ccc2F)C1 1593803007 WBBXAFYPQFYAQD-UHFFFAOYSA-N 281.048 -0.948 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)OCC(=O)C(=O)O)cn1 1594537443 IYUVTBXHSYBJPL-WAPJZHGLSA-N 263.209 -0.476 50 20 CBGD CCO[C@@H]1CC(=NNC(=O)NCC(=O)O)[C@H]1n1cccn1 1596973795 HYAZRWMNVHZQNB-MWLCHTKSSA-N 295.299 -0.027 50 20 CBGD Cc1c(NNC(=O)CNC(N)=O)cccc1C(=O)O 1600052531 MQMVXPUTEGMTJX-UHFFFAOYSA-N 266.257 -0.195 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CO[C@@H](CCC(=O)O)C1 1603739714 UIWAEEMSUCJXSE-UWVGGRQHSA-N 274.317 -0.398 50 20 CBGD O=C(O)c1coc(C(=O)NNC(=O)c2cn[nH]c2)c1 1608986878 ZDYUXUHCTTYLGO-UHFFFAOYSA-N 264.197 -0.224 50 20 CBGD Cc1ccc(C(=O)NNS(=O)(=O)CCC(=O)O)o1 1610484970 SKRVIJUXOKVGBE-UHFFFAOYSA-N 276.270 -0.373 50 20 CBGD O=C(NN=C1CC(C(=O)O)C1)c1nc[nH]c2ncnc1-2 1776104980 JEVGTYZFWZWNMR-UHFFFAOYSA-N 274.240 -0.115 50 20 CBGD O=C(Cn1ccc([N+](=O)[O-])n1)NNC(=O)NC1CC1 49150249 ZHVLGJCJUOVUEG-UHFFFAOYSA-N 268.233 -0.716 50 20 CBGD O=C(NNC(=S)NC1CC1)N[C@H]1CCS(=O)(=O)C1 138956841 OVTMLEDNOYKXSV-ZETCQYMHSA-N 292.386 -0.986 50 20 CBGD O=C(CO)NNC(=O)c1cn(Cc2ccccc2)nn1 182751708 ZGGPVFJKNFYVAY-UHFFFAOYSA-N 275.268 -0.920 50 20 CBGD CCC[C@](C)(O)C(=O)NNC(=O)C(=O)NC(C)C 269324953 UYLMHMHJILPDOE-NSHDSACASA-N 259.306 -0.791 50 20 CBGD COCC1(C(=O)NNC(=O)C(=O)NC2CC2)CCC1 284423501 FQOCSUOMANGLOS-UHFFFAOYSA-N 269.301 -0.771 50 20 CBGD NC(=O)[C@H]1CC[C@H](CNC(=O)NNc2ncccc2F)O1 287287213 YTHBAICLKSPAIN-VXNVDRBHSA-N 297.290 -0.120 50 20 CBGD Cn1c(=O)ccn(CC(=O)NNC(=O)OC(C)(C)C)c1=O 490808221 HYGOPSXCGQPQAK-UHFFFAOYSA-N 298.299 -0.897 50 20 CBGD CCCN(CC(=O)N(C)C)C(=O)c1ccc(B(O)O)cc1 584933346 FJTFJEBOWCBCJZ-UHFFFAOYSA-N 292.144 -0.693 50 20 CBGD C[C@@H](CC#N)N(C)C(=O)c1cc(B(O)O)ccc1F 584942674 LWFHOAUKNGGYAE-QMMMGPOBSA-N 264.065 -0.120 50 20 CBGD CC[C@H](O)CCNC(=O)c1cc(B(O)O)ccc1F 584959249 FDZPTMKOPZSMFC-VIFPVBQESA-N 269.081 -0.604 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCN2CCC1CC2 584980055 OUJWZGPEVQBJMQ-UHFFFAOYSA-N 292.119 -0.574 50 20 CBGD C[C@@H]1[C@@H](CO)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584982197 MFFBFKUEUGVGRK-PSASIEDQSA-N 281.092 -0.652 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)N2CCOCC2)C1 732913080 SXYFMZSHYSRQKL-VIFPVBQESA-N 256.306 -0.989 50 20 CBGD COc1ccc(C(=O)NNC(=O)c2cccnc2)nn1 737763121 JCOPULZVNBCURR-UHFFFAOYSA-N 273.252 -0.045 50 20 CBGD Cc1nc(SCC(=O)NNC(=O)C2CC2)n[nH]1 746092654 BAVPKUGKFBKQBH-UHFFFAOYSA-N 255.303 -0.237 50 20 CBGD Cn1ccc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 749859434 VBVAVGPTSZNBQJ-SNVBAGLBSA-N 284.341 -0.155 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=c1cc[nH]cc1Cl 757417628 KLQUTCNZPCZOPG-ZCFIWIBFSA-N 292.748 -0.462 50 20 CBGD CNC(=O)NCC(=O)NNc1cccc([N+](=O)[O-])c1 761996866 SHMMCBJRDGDALI-UHFFFAOYSA-N 267.245 -0.033 50 20 CBGD CNC(=O)COc1ccc(NC(=O)NNC(C)=O)cc1 765179257 MBGBTRJQLUWMAA-UHFFFAOYSA-N 280.284 -0.016 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCN1CCCC1=O 772086106 AQKIGFCHIQBOIL-SECBINFHSA-N 299.327 -0.512 50 20 CBGD C#C[C@H](N[C@H](C)C(=O)NNC(=O)CC)[C@H]1CCCO1 775791855 XHXRWNHJWSVIQW-OUAUKWLOSA-N 267.329 -0.297 50 20 CBGD CN(NC(=O)c1ccccc1SCC(N)=O)C(N)=O 778417326 SAASXEPIJYITRG-UHFFFAOYSA-N 282.325 -0.081 50 20 CBGD NC(=O)C(=O)NN=C1CCC(=O)Nc2ccccc21 783784354 BTGNSKPLKGVEHW-UHFFFAOYSA-N 260.253 -0.276 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CO[C@@H](C)C2)n[nH]1 784159055 YLJZIZVCCMVKMG-JGVFFNPUSA-N 252.274 -0.096 50 20 CBGD COc1cc(C)nc(NNC(=O)c2[nH]nnc2C)n1 789973311 JWMLHGWXUIOHFP-UHFFFAOYSA-N 263.261 -0.023 50 20 CBGD COc1cc(CC(=O)NN(C)C(N)=O)cc(OC)c1O 790007081 FFBVPNJCSWFYHV-UHFFFAOYSA-N 283.284 -0.006 50 20 CBGD CC[C@@H](CO)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 792855780 SXDHRVJGMLEKEM-UWVGGRQHSA-N 278.374 -0.503 50 20 CBGD C=CCNC(=S)NNC(=O)CN(C)C(=O)C1CC1 798305275 MNWAFEINGCWVAM-UHFFFAOYSA-N 270.358 -0.464 50 20 CBGD COCCCNC(=O)NNS(=O)(=O)C[C@@H](C)OC 800833600 BCJSRRXYEMIKBT-MRVPVSSYSA-N 283.350 -0.809 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc(OC(F)F)nc1 801958336 COODADMADHABGU-UHFFFAOYSA-N 276.199 -0.172 50 20 CBGD CC(=O)N[C@@H](C(=O)NNC(=O)N=c1cc[nH]cc1)C(C)C 802034165 CIFGEVACMJOQMI-LLVKDONJSA-N 293.327 -0.183 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1cnnn1C 809901647 QLJOGCNLQCXCLT-ZETCQYMHSA-N 286.292 -0.981 50 20 CBGD Cn1cnc(C(=O)NNC(=O)COCc2ccccc2)n1 810424472 RMYLXBIPARESJO-UHFFFAOYSA-N 289.295 -0.207 50 20 CBGD CC(C)OCCONC(=O)NNC(=O)c1cnn(C)c1 812952028 LQXJKQPVQAETKG-UHFFFAOYSA-N 285.304 -0.279 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@](F)(C(=O)O)C1 826134941 KSQMIWXMCXAMMY-GFCCVEGCSA-N 289.307 -0.322 50 20 CBGD O=C(O)CN(CC(=O)NNC(=O)C1CC1)C1CCCC1 833247546 NCJOAPTUHNXJBT-UHFFFAOYSA-N 283.328 -0.127 50 20 CBGD CCOC(=O)[C@@H](CC)C(=O)NNC(=O)NCCCOC 840289291 WEEAGUDGFBCCJG-VIFPVBQESA-N 289.332 -0.057 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1=NN(C)C(=O)CC1 843647253 YCYLSWHOCWHEAP-HTQZYQBOSA-N 282.300 -0.833 50 20 CBGD Cc1ccn(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1 843659572 JEVUALFCOVEAFR-NXEZZACHSA-N 266.301 -0.236 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCOCC2)C1 843779798 WQABMWMISDTRTQ-MRVPVSSYSA-N 255.274 -0.571 50 20 CBGD CCN(CC)CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843979641 PSCNCGCWVKNQBG-VHSXEESVSA-N 257.334 -0.099 50 20 CBGD COCCN(C)NC(=O)[C@@H]1CCc2nnnn2CC1 846121367 BZDYVLDTRDRVQJ-SECBINFHSA-N 268.321 -0.765 50 20 CBGD Cn1cc(Cl)cc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 849197143 WWNQCPGRTRUEDA-SSDOTTSWSA-N 284.703 -0.282 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@]1(C)CO 852701890 GQMAOPGGWQFUKS-RNCFNFMXSA-N 269.345 -0.506 50 20 CBGD COC(=O)NNS(=O)(=O)c1cc(C)c(C(=O)OC)o1 853024593 VQZNTMYOZKFHQL-UHFFFAOYSA-N 292.269 -0.076 50 20 CBGD CCC[C@@H](C(=O)NNC(=O)C(C)C)S(N)(=O)=O 854215214 XVYOCOIRHKHUHX-ZETCQYMHSA-N 265.335 -0.753 50 20 CBGD Cc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)nn1 854381359 IPWYADDRJTXGBC-UHFFFAOYSA-N 278.316 -0.613 50 20 CBGD CC1=NO[C@H](C(=O)NNC(=O)N2CCN(C)CC2)C1 854382963 QIWZXMJZRFOVQJ-VIFPVBQESA-N 269.305 -0.861 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cc[nH]n1)c1cnn(C)c1 855357419 IXPVMXGOKPIJLS-SSDOTTSWSA-N 262.273 -0.292 50 20 CBGD CN(CC(=O)NNC(=O)c1cc[nH]n1)[C@@H]1CCSC1 855357840 RGPYFTCBCYLZAR-MRVPVSSYSA-N 283.357 -0.392 50 20 CBGD O=C1NCC[C@@H]1C(=O)NNc1ncc(Cl)cn1 857359034 PGAUMHCKJARCTQ-LURJTMIESA-N 255.665 -0.291 50 20 CBGD O=C(C#Cc1cccs1)NNC(=O)[C@H]1CCC(=O)N1 862460381 HQGFBRRNJRONMY-SECBINFHSA-N 277.305 -0.474 50 20 CBGD CC(C)(CCl)CS(=O)(=O)NCCOCC(N)=O 866960770 RSBPKDQIABANOD-UHFFFAOYSA-N 286.781 -0.327 50 20 CBGD C#CCN(C)CCCNCc1ccccc1B(O)O 894863567 IOLJZMXNFPIXCX-UHFFFAOYSA-N 260.146 -0.589 50 20 CBGD CC[C@@H](CN1CCOCC1)NCc1ccccc1B(O)O 896619115 TYGWPXFKSRXBRN-AWEZNQCLSA-N 292.188 -0.433 50 20 CBGD O=C(O)C1=CC[C@H](NCc2cccc(B(O)O)c2)C1 901734124 WJHKPUUVYKZJNE-LBPRGKRZSA-N 261.086 -0.371 50 20 CBGD CN1CCO[C@@H](C(=O)NCC(Cl)Cl)C1=O 908184419 HNEHVLNNQRPUAR-LURJTMIESA-N 255.101 -0.237 50 20 CBGD COCCn1ccc(C(=O)NN(C)C[C@H](C)O)n1 910161230 SSYUPGZNIOSOQL-VIFPVBQESA-N 256.306 -0.513 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cnc2c(cnn2C)c1 910162354 FINISNWHDUCDJQ-MRVPVSSYSA-N 263.301 -0.074 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)COCC(F)(F)F 915829514 ZNFZAJPCEYGHMH-UHFFFAOYSA-N 285.222 -0.763 50 20 CBGD CC(C)(C)C(=O)NNC(=O)Cn1ccc(O)nc1=O 918585090 XUZLGXHFMRXILS-UHFFFAOYSA-N 268.273 -0.858 50 20 CBGD CN(C)C1(CNC(=O)NNC(=O)[C@@H]2CCCCO2)CC1 922987765 IVRBZODXIMAQOY-JTQLQIEISA-N 284.360 -0.020 50 20 CBGD CCOC(=O)[C@@H]1CCN(CC(=O)NNC(=O)C(C)C)C1 932638752 KFQOAVIKERGWDY-SNVBAGLBSA-N 285.344 -0.325 50 20 CBGD Cc1nn(C)c(C)c1C(=O)NNC(=O)c1cnn(C)c1 1116084150 PPBQCEXCGYXYIS-UHFFFAOYSA-N 276.300 -0.155 50 20 CBGD O=C(NCCn1ccnc1)NNC(=O)c1ccc[nH]1 1248679758 RWHKHEXVBMOLBE-UHFFFAOYSA-N 262.273 -0.145 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@H]1CCCN(C(N)=O)C1 1251342114 IVKVRSFQDJSXFJ-QMMMGPOBSA-N 271.321 -0.484 50 20 CBGD NC(=O)c1cc(C(=O)NNC(=O)Cc2cccnc2)c[nH]1 1251623310 IBBJXVRXRHIIIZ-UHFFFAOYSA-N 287.279 -0.488 50 20 CBGD NC(=O)c1ccc(NNC(=O)c2ccc3nccn3c2)nn1 1252853183 SSELLEZRYAPMSD-UHFFFAOYSA-N 297.278 -0.020 50 20 CBGD CC(=NNC(=O)C(=O)NC1CC1)c1ccnc(C)n1 1255778660 DYFBTDAFZBXQGR-UHFFFAOYSA-N 261.285 -0.096 50 20 CBGD COCC(=O)NCCC(=O)NNC(=O)c1cc(C)cs1 1261829749 AALXKLSOAKSXMH-UHFFFAOYSA-N 299.352 -0.030 50 20 CBGD CS(=O)(=O)c1ccccc1NNC(=O)C(=O)NC1CC1 1319209821 VNOQCYXZABAZPI-UHFFFAOYSA-N 297.336 -0.188 50 20 CBGD COCCCNC(=O)NNC(=O)c1cc(C)ncn1 1319520111 DBYOWYIVUBUILY-UHFFFAOYSA-N 267.289 -0.234 50 20 CBGD COc1nccc(NC(=O)NNC(=O)CCO)n1 1321288664 GFVPUQBHIDGWDX-UHFFFAOYSA-N 255.234 -0.980 50 20 CBGD Cn1cc(C(=O)NNc2cccc(F)n2)c(O)nc1=O 1322522240 XJYSYBJNXRJICL-UHFFFAOYSA-N 279.231 -0.223 50 20 CBGD C[C@@H](CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1)C(=O)O 1327680814 SPUWJLRUGZLCBO-OIBJUYFYSA-N 293.345 -0.912 50 20 CBGD COCCN(C)NC(=O)CCCCCS(N)(=O)=O 1329663281 WWQUHTQVLMLKIZ-UHFFFAOYSA-N 281.378 -0.555 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H](OC)C(F)(F)F 1330488836 KBBBIGDGTTYWRP-BYPYZUCNSA-N 287.194 -0.933 50 20 CBGD CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)C(=O)NC(C)C 1338588976 KAJWXFBVGWJTPB-RKDXNWHRSA-N 271.317 -0.527 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cnc(C2CC2)[nH]1 1339162117 YXZBTVTYCRXAEH-UHFFFAOYSA-N 252.274 -0.181 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@H]1CCC[C@H]1CCO 1343128855 GCDUXDRFOILCFF-WPRPVWTQSA-N 298.343 -0.854 50 20 CBGD O=C(CC1(O)CCC1)NNC(=O)C(=O)Nc1ccccn1 1351238228 IHGIIQWFWZCHDL-UHFFFAOYSA-N 292.295 -0.527 50 20 CBGD CCNC(=O)N(C)NC(=O)C1=NOC2(CCNCC2)C1 1353712695 FSSICFPUUJVJSA-UHFFFAOYSA-N 283.332 -0.423 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@H]1NCc2n[nH]cc21 1575141262 MLXDGTFOUHLISM-QMMMGPOBSA-N 282.373 -0.152 50 20 CBGD C[C@H](CO)N(C)NC(=O)C1([C@@]2(O)CCCNC2)CCC1 1576036366 INSAWLPNCHLJIP-BXUZGUMPSA-N 285.388 -0.385 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCN2)c(O)n1 1579663808 IZZWWLXARYXZOO-QMMMGPOBSA-N 250.258 -0.781 50 20 CBGD C[C@@H](C(=O)O)C(=O)NNc1ccnc(N(C)C)n1 1588575571 FXZTUHSPBUXSGL-ZCFIWIBFSA-N 253.262 -0.294 50 20 CBGD C[C@H](CC(=O)O)C(=O)NNC(=O)c1cccnn1 1592360441 YSAXYFLSISVZQB-ZCFIWIBFSA-N 252.230 -0.652 50 20 CBGD COCCN(C)NC(=O)COCc1ocnc1C(=O)O 1599231808 GDLIBXJRQRYLQE-UHFFFAOYSA-N 287.272 -0.501 50 20 CBGD CONC(=O)CNC(=O)NNc1cccc(C(=O)O)c1 1599321143 SFQFOVWMAWPVQY-UHFFFAOYSA-N 282.256 -0.312 50 20 CBGD Cc1ccc(NNC(=O)Cn2ncnn2)cc1C(=O)O 1600461276 IAYZSPQFVFUBKF-UHFFFAOYSA-N 276.256 -0.177 50 20 CBGD O=C(COc1ccc(-c2nn[nH]n2)cc1)NN=C1COC1 1606568348 CJHUPDIPXVXKRH-UHFFFAOYSA-N 288.267 -0.252 50 20 CBGD N#Cc1ncn(CC(=O)NNC(=O)c2cccs2)n1 14143402 FXFWHTJUBVHOCQ-UHFFFAOYSA-N 276.281 -0.328 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)CCNC(N)=O 61499417 FFDNFLTZBOUEPS-UHFFFAOYSA-N 264.285 -0.186 50 20 CBGD CCC(=O)NNC(=O)COc1ccc(-c2nnn[nH]2)cc1 95161646 PTMQDEVVFGZQTO-UHFFFAOYSA-N 290.283 -0.197 50 20 CBGD CN(C)CC(=O)NNC(=O)Cn1c(=O)oc2ccccc21 113426257 RRNNNONECKSQDP-UHFFFAOYSA-N 292.295 -0.697 50 20 CBGD CCOCCNC(=O)NNC(=O)CNC(=O)c1ccco1 263654053 CYVIQDRSZFGTHA-UHFFFAOYSA-N 298.299 -0.624 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 264537579 PAVIAWXFYSIASE-VIFPVBQESA-N 277.280 -0.265 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc21 264932465 YNBSCFHNDAJTHN-JTQLQIEISA-N 291.307 -0.165 50 20 CBGD CSCC[C@H](O)C(=O)NNC(=O)c1ccccn1 270737301 DXRVCMFWUPNDTQ-VIFPVBQESA-N 269.326 -0.043 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cn2ccccc2n1 276178971 CCTGOXZQODYYPG-UHFFFAOYSA-N 262.269 -0.134 50 20 CBGD COC(=O)N(C)NC(=O)c1c(C)c(C)nn(C)c1=O 495763152 QNEQQAROGUTTAM-UHFFFAOYSA-N 268.273 -0.260 50 20 CBGD CCN1CCCC[C@H]1CNC(=O)c1cccc(B(O)O)c1 584944181 BHQHXZGAERUCLW-AWEZNQCLSA-N 290.172 -0.029 50 20 CBGD CN(CC1(O)CCCC1)C(=O)c1cc(B(O)O)ccc1F 584966190 XMQYPEYPLJHGEY-UHFFFAOYSA-N 295.119 -0.117 50 20 CBGD CC[C@](C)(CO)NC(=O)c1ccc(B(O)O)c(F)c1 584968622 ZLWOEHNBGKHXML-GFCCVEGCSA-N 269.081 -0.604 50 20 CBGD C[C@@H]1CCC[C@@]1(O)CNC(=O)c1cc(B(O)O)ccc1F 584995156 QIHFEIGTCVCGEO-YMTOWFKASA-N 295.119 -0.214 50 20 CBGD COc1cc(NCc2ccc(B(O)O)o2)cnc1OC 585049883 YZAJCTNZCPUOLM-UHFFFAOYSA-N 278.073 -0.016 50 20 CBGD O=S(=O)(NCB(O)O)c1c[nH]c2cccc(F)c12 585059199 CYSQLRNYDVLEKW-UHFFFAOYSA-N 272.066 -0.403 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)c1c[nH]nc1C 732086843 KLLVPACQJBVIOU-NSHDSACASA-N 275.312 -0.423 50 20 CBGD C[C@@H](CN(C)CC(=O)NNC(=O)C1CC1)C(=O)O 736572854 SOSAUNJHTWHZKD-ZETCQYMHSA-N 257.290 -0.804 50 20 CBGD CNC(=O)NNC(=O)CNc1ccc(-c2nn[nH]n2)cc1 736879059 OTELAMKUFLEZTE-UHFFFAOYSA-N 290.287 -0.761 50 20 CBGD Cc1c(C(=O)NNC(=O)c2cccn2C)nnn1C 741663603 NUXFRYVWSAJZLQ-UHFFFAOYSA-N 262.273 -0.463 50 20 CBGD O=C(NCC1CC1)NNS(=O)(=O)N1CCCCC1 742028250 FSTKYWQHEBDJCD-UHFFFAOYSA-N 276.362 -0.069 50 20 CBGD CCNC(=O)NNC(=O)C(=O)NCc1ccc(F)cc1 742053915 UZMQHONIKNKFNF-UHFFFAOYSA-N 282.275 -0.208 50 20 CBGD C[C@@H]1CC[C@H](CCC(=O)NNC(=O)C(=O)NC2CC2)O1 743289980 HOAWHUSABRVCKY-PSASIEDQSA-N 283.328 -0.240 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCOC[C@H]1C#N 746478815 NZHARAXRXVBTCF-WDEREUQCSA-N 282.344 -0.207 50 20 CBGD C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1nccn(C)c1=O 747938792 ZMTLNDNJTKTRAM-UWVGGRQHSA-N 296.327 -0.193 50 20 CBGD CCc1n[nH]cc1C(=O)NNC(=O)C(=O)N1CCCC1 748240145 ASZYYCXYTGKNAT-UHFFFAOYSA-N 279.300 -0.645 50 20 CBGD C/C=C/C(=O)NNC(=O)CNC(=O)c1ccco1 751212794 YCORXIJXDMWFKA-DUXPYHPUSA-N 251.242 -0.267 50 20 CBGD C=CCNC(=O)CNC(=O)NNC(=O)C1CCCC1 753175956 MHFPYWHKUZUGPX-UHFFFAOYSA-N 268.317 -0.191 50 20 CBGD CO[C@]1(CNC(=O)NNC(=O)c2ccc[nH]2)CCOC1 764808873 HXPZISYSLCOHLT-LBPRGKRZSA-N 282.300 -0.236 50 20 CBGD Cc1ccc(F)c2c1C(=NNC(=O)CO)C(=O)N2 776779929 DMMFAPMCNCLFNJ-UHFFFAOYSA-N 251.217 -0.101 50 20 CBGD CC[C@@H](CO)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 779831315 BTQIQJDKHMOBGY-QMMMGPOBSA-N 289.332 -0.323 50 20 CBGD COC1(C(=O)NNC(=O)N2CCOCC2)CCC1 781958574 QXAXGYYDIWHNFX-UHFFFAOYSA-N 257.290 -0.372 50 20 CBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)Cc2cc[nH]n2)CO1 784399167 XNSHSUBYNOJPOM-HTQZYQBOSA-N 252.274 -0.475 50 20 CBGD NC(=O)NN=C1CCCc2nc(O)c(C(N)=O)cc21 788928521 KNAOQNALSWOUOI-UHFFFAOYSA-N 263.257 -0.405 50 20 CBGD CSSCCNS(=O)(=O)CCS(C)(=O)=O 790350505 WAGNIRMFLPMOFC-UHFFFAOYSA-N 293.457 -0.038 50 20 CBGD C[C@@H](C(=O)NNc1nc2ccccn2n1)S(C)(=O)=O 791243297 NURVQLQIOWHSSC-ZETCQYMHSA-N 283.313 -0.395 50 20 CBGD Cc1nc(C(=O)NNC(=O)N2CCN(C)CC2)co1 807380497 WKCIZNQSWXRQTJ-UHFFFAOYSA-N 267.289 -0.415 50 20 CBGD Cn1cnc(C(=O)NNC(=O)c2ccccc2O)n1 809984463 KRIGCXCNLUQFBJ-UHFFFAOYSA-N 261.241 -0.405 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@@H](F)C(F)(F)F)nn1 810511709 KYULTPIGYROVPL-RXMQYKEDSA-N 281.169 -0.081 50 20 CBGD CC(C[C@H]1CCC(=O)N1)=NNC(=O)C(=O)NC(C)C 811636918 PZSKWYNCIDXCRU-SECBINFHSA-N 268.317 -0.328 50 20 CBGD COCCC(COC)=NNC(=O)C(=O)N1CCCC1 812226580 HJDGIFYXTLTJDK-UHFFFAOYSA-N 271.317 -0.236 50 20 CBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNc1ccccn1 813509858 HFFYCQGOQSPRHA-VIFPVBQESA-N 266.301 -0.342 50 20 CBGD O=C(NNc1nc[nH]n1)[C@H]1CCCC12OCCO2 816634697 PXNVAFCLPBCOIZ-SSDOTTSWSA-N 253.262 -0.209 50 20 CBGD CCNC(=O)CC(=O)NNc1cccc(-c2nn[nH]n2)c1 825466026 WAMFKMSLNNFNQH-UHFFFAOYSA-N 289.299 -0.164 50 20 CBGD CCCN([C@H]1CC(=O)N(C)C1=O)S(=O)(=O)CCl 831412940 QVVRHEXFSBKHNB-ZETCQYMHSA-N 282.749 -0.018 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)[C@H]1CCCCO1 833241679 DMZFKASGRMATKY-GHMZBOCLSA-N 285.344 -0.576 50 20 CBGD CC[C@@H](C(=O)NNC(=O)c1cc(C)[nH]n1)[C@@H](C)O 842235668 MACVNLXUNNVJLW-HTQZYQBOSA-N 254.290 -0.114 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(CCN)CC1 846227166 HYWMOXMOOLLTLR-SNVBAGLBSA-N 270.377 -0.007 50 20 CBGD O=C(NNC(=O)[C@H]1CCCS1(=O)=O)[C@H]1CCCCO1 847057509 FTOBKWSZYFZLCM-RKDXNWHRSA-N 290.341 -0.720 50 20 CBGD C[C@H]1CCCN(C(=O)C(=O)NNc2cnnn2C)C1 857272503 CEBQOQFEWXZYCK-QMMMGPOBSA-N 266.305 -0.483 50 20 CBGD CO[C@](C)(CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 858477460 IPNVXUZRGMRKAY-TVQRCGJNSA-N 298.343 -0.590 50 20 CBGD Cc1nc(O)ccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862457826 RJPDJSVPQJMKPQ-MRVPVSSYSA-N 278.268 -0.865 50 20 CBGD COC(C)(C)CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862459238 PSUFSZJWCSRZDM-SSDOTTSWSA-N 257.290 -0.773 50 20 CBGD CC(=O)N1CC[C@](C)(C(=O)NNC(=O)c2cn[nH]c2)C1 862472526 LPHDKBMBHHBCPK-LBPRGKRZSA-N 279.300 -0.571 50 20 CBGD Cc1csc(C(=O)NNC(=O)[C@]2(O)CCOC2)c1 862480664 ZMZHRNYZAMKSAE-NSHDSACASA-N 270.310 -0.031 50 20 CBGD CNC(=O)NCC(=O)NNCC(F)(F)C(F)(F)F 863097236 HNVYNZGKFRZZDI-UHFFFAOYSA-N 278.181 -0.266 50 20 CBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cnn(C)c1C 863148100 SWMLILVGHQHDAM-JTQLQIEISA-N 263.301 -0.153 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)C(C)(C)n1cncn1 863186782 LVHCSGQUKUXWII-UHFFFAOYSA-N 287.345 -0.450 50 20 CBGD CC[C@H](C)[C@H](C)C(=O)NNC(=O)CS(C)(=O)=O 863464849 VEJLVYXIXSPKIV-YUMQZZPRSA-N 264.347 -0.139 50 20 CBGD COCCCONC(=O)c1cc(B(O)O)ccc1F 863882891 OGALHUNINHPNJR-UHFFFAOYSA-N 271.053 -0.797 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H](C)OCC(C)C 869909123 JUCQEWBECFAEDE-SNVBAGLBSA-N 276.333 -0.142 50 20 CBGD OC[C@@H]1CN(CCI)C[C@@H]1CO 879695091 DXHULTPICUQPAS-OCAPTIKFSA-N 285.125 -0.046 50 20 CBGD O=C(NC[C@@H]1C=CCC1)NNC(=O)C(=O)N1CCCC1 883834524 JKVGIGGWCDIMOJ-SNVBAGLBSA-N 280.328 -0.095 50 20 CBGD CNC(=O)NNC(=O)CN(C(C)=O)c1ccccc1 900352356 BTUUIHXWUCRTLA-UHFFFAOYSA-N 264.285 0.000 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cccc(C#CCO)c1 907626308 MYZGZQITSZPKDW-UHFFFAOYSA-N 276.292 -0.438 50 20 CBGD Cc1cnc(COCC(=O)NN(C)C[C@@H](C)O)o1 910157179 PJPHRCBNJKFJFY-MRVPVSSYSA-N 257.290 -0.157 50 20 CBGD O=C(C[C@H]1CCCCO1)NNC(=O)CN1CCCC1=O 913731553 MSOBWWZTFIHFRU-SNVBAGLBSA-N 283.328 -0.285 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CCCN1C1CC1 913732976 QRGSTRFFTCUESN-NSHDSACASA-N 294.355 -0.617 50 20 CBGD COC(=O)[C@H](CC(C)C)NC(=O)c1cccc(B(O)O)c1 916705387 YTMVZIDRTOGZEX-LBPRGKRZSA-N 293.128 -0.316 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(CC)CCC(=O)NC 933862842 BXHLOZWZMGLECZ-VIFPVBQESA-N 272.349 -0.610 50 20 CBGD CN(CC(Cl)Cl)C(=O)CN1C(=O)CNC1=O 1118313034 BOEPERPCCVNTLB-UHFFFAOYSA-N 268.100 -0.200 50 20 CBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)c1ccncc1 1123465969 ZFKNPOMTSKRNCV-CMPLNLGQSA-N 289.339 -0.769 50 20 CBGD O=C(NN=C1CCC(O)CC1)N[C@@H]1CCS(=O)(=O)C1 1255838720 FEIPBPXTAGUQSL-YHMJZVADSA-N 289.357 -0.236 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1ccncc1)S(C)(=O)=O 1318981544 JHOQQNOLDREWBA-ZETCQYMHSA-N 271.298 -0.724 50 20 CBGD COCC(=O)NCCC(=O)NNc1cc(C)ccn1 1319063657 VGBDGMCFAJGULI-UHFFFAOYSA-N 266.301 -0.014 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccnc1C 1320241752 YUHWFJLXIIRGLZ-UHFFFAOYSA-N 280.284 -0.488 50 20 CBGD COCCCNC(=O)NNC(=O)[C@]1(C)CCOC1 1323798487 UQUZAHXVDVWUDJ-LLVKDONJSA-N 259.306 -0.220 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CNC(C)(C)C 1327168213 OJZCLVUHCBLXES-RKDXNWHRSA-N 257.334 -0.053 50 20 CBGD O=C(C[C@H]1CC(=O)N1)NNC(=O)NCC(F)(F)F 1331169610 GKGXLAVEIDSAEJ-SCSAIBSYSA-N 268.195 -0.842 50 20 CBGD Cc1nc(C=NNC(=O)CS(C)(=O)=O)[nH]c1C 1331722998 OMYOQKJQAILCEK-UHFFFAOYSA-N 258.303 -0.479 50 20 CBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)CN2CCCC2=O)CCO1 1332708350 UIQYBVSMXVEJET-ZJUUUORDSA-N 283.328 -0.429 50 20 CBGD Cc1nscc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1335329385 HUGRMIBIJKDXSD-ZETCQYMHSA-N 268.298 -0.509 50 20 CBGD O=C(CN1CCC(CO)CC1)NNC(=O)CC(F)(F)F 1337318154 BZDKNWHDWZEGPI-UHFFFAOYSA-N 297.277 -0.210 50 20 CBGD CCOc1cnc(C(=O)NNC(=O)C(=O)NC(C)C)cn1 1338423860 RARIBSOUDMDIDG-UHFFFAOYSA-N 295.299 -0.839 50 20 CBGD CC(=NNC(=O)C(=O)N1CCCC1)c1ccc(O)nn1 1338915309 IKFNBUGXUSMRFD-UHFFFAOYSA-N 277.284 -0.355 50 20 CBGD O=C(NN=Cc1ccc(CO)o1)C(=O)NC1CC1 1339362702 UHJBBSQQMUCBLL-UHFFFAOYSA-N 251.242 -0.499 50 20 CBGD Cn1cc(C(=O)NNC(=O)C2CCC(O)CC2)cn1 1344347914 IGXPYXUERQDDPL-UHFFFAOYSA-N 266.301 -0.268 50 20 CBGD N#CC1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCC1 1348480565 ZJGLDXIAZSPOKS-ZETCQYMHSA-N 250.258 -0.894 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)COc1ccccc1O 1574105231 NHXPOULZILFYSO-SNVBAGLBSA-N 298.251 -0.982 50 20 CBGD C=C(Cl)C[C@@H](N)C(=O)NNC(=O)c1cn[nH]c1 1574857462 VMMVEWGSMPPZIV-SSDOTTSWSA-N 257.681 -0.359 50 20 CBGD C[C@H](C(=O)NCCSS(C)(=O)=O)[C@@H](C)N 1576089350 WLPZGAKFVJTHSM-NKWVEPMBSA-N 254.377 -0.221 50 20 CBGD COC(=O)[C@@H]1CC[C@H](C(=O)NNC(=O)[C@H]2CCCNC2)C1 1578833370 UPTKGJGJCINKEJ-AXFHLTTASA-N 297.355 -0.277 50 20 CBGD Cc1nnc(NNC(=O)NC[C@@]2(C)CNCCO2)n1C 1579912477 CEDXPZAZXZRJTB-LLVKDONJSA-N 283.336 -0.872 50 20 CBGD NC[C@@H]1C[C@@H]1C(=O)NNc1cc(Cl)nc(N)n1 1580323955 UPXQKFRWOFMLBX-WHFBIAKZSA-N 256.697 -0.250 50 20 CBGD C=C[C@@H](O)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1588526215 SDZXFGQPDILMEJ-SECBINFHSA-N 288.267 -0.825 50 20 CBGD C[C@@](C#N)(CC(=O)O)C(=O)NNC(=O)c1ncccn1 1588542176 TVUVDQMVJWRQAU-NSHDSACASA-N 277.240 -0.758 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@H](C)[C@@H](C(=O)O)C1 1588799504 MCZJSTDJOHKMAU-UWVGGRQHSA-N 285.344 -0.168 50 20 CBGD C[C@H](O)CC(C)(C)CNC(=O)NNC(=O)C(=O)O 1604383335 KCNFKMZAXYSMGQ-LURJTMIESA-N 261.278 -0.802 50 20 CBGD O=C(O)[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 1606006767 QDELNMKLZCMOIU-ZETCQYMHSA-N 281.048 -0.948 50 20 CBGD O=C(O)C(=O)NN=Cc1cc2c(cc1O)OCO2 1608531162 TXDBIKVPDSWFSU-UHFFFAOYSA-N 252.182 -0.344 50 20 CBGD Cn1cc(CCC(=O)NNC(=O)NC2CC2)cn1 49128528 MHQHSLYCYZIDOI-UHFFFAOYSA-N 251.290 -0.155 50 20 CBGD CN(C)C(=O)[C@@H]1CCCN1CC(=O)NNC(=O)C1CC1 112976212 LDRSHPQVVVLIPV-JTQLQIEISA-N 282.344 -0.904 50 20 CBGD CC(C)CC(=O)NN=Cc1c(N)n(C)c(=O)n(C)c1=O 254761683 WEZWKSYCZUWFLB-UHFFFAOYSA-N 281.316 -0.838 50 20 CBGD Cn1cccc1C(=O)NNS(=O)(=O)N1CCCC1 265740979 GDAPJYFDYPCYPP-UHFFFAOYSA-N 272.330 -0.400 50 20 CBGD CC[C@H](COC)NC(=O)NNC(=O)C(=O)N1CCCC1 265753551 GPLQLIOVJIUASR-SECBINFHSA-N 286.332 -0.636 50 20 CBGD CN(C)S(=O)(=O)NNC(=O)COCc1ccccc1 266028434 LVPHTPFLPPADQF-UHFFFAOYSA-N 287.341 -0.370 50 20 CBGD CNC(=O)NNC(=O)C1CN(C(=O)OC(C)(C)C)C1 273048990 JYKPGFYSASLBFU-UHFFFAOYSA-N 272.305 -0.187 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN2C(=O)OC[C@@H]2C1 493881376 ZDQTYULFJFOTNT-BDAKNGLRSA-N 284.316 -0.931 50 20 CBGD C[C@@H](C#N)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 494639877 HCRNGTGIMCPSJW-ZETCQYMHSA-N 270.289 -0.182 50 20 CBGD CCn1ncc(C(=O)COc2ccc(B(O)O)cc2)n1 584910518 QHRWUXWZKIEKMC-UHFFFAOYSA-N 275.073 -0.761 50 20 CBGD CC(C)(C)NC(=O)CCNC(=O)c1ccc(B(O)O)cc1 584939014 FYTNBRRLYNJTEM-UHFFFAOYSA-N 292.144 -0.599 50 20 CBGD CS[C@@H](CO)[C@@H](C)NC(=O)c1cccc(B(O)O)c1 584962650 JIXHCINFRJVMES-KCJUWKMLSA-N 283.158 -0.791 50 20 CBGD C[C@]1(O)CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 584968436 AXFOUBWUACUYRV-ZDUSSCGKSA-N 281.092 -0.508 50 20 CBGD C[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C[C@@H]1O 584969729 IHJVOZRULWKJFG-UFBFGSQYSA-N 281.092 -0.652 50 20 CBGD C[C@@H](O)[C@H]1CCCCN1C(=O)c1ccc(B(O)O)c(F)c1 584970883 IOQYGGVIDZJFJN-NOZJJQNGSA-N 295.119 -0.119 50 20 CBGD O=C(CCCNC(=O)c1ccc(B(O)O)cc1)NC1CC1 584971127 XSCSJOVUMAHDEB-UHFFFAOYSA-N 290.128 -0.845 50 20 CBGD C=CCOCCCNC(=O)c1ccc(B(O)O)c(F)c1 585009022 ZYKQUUIGXFWCHH-UHFFFAOYSA-N 281.092 -0.172 50 20 CBGD CSC[C@@H](CCO)NCc1ccc(B(O)O)cc1 585030081 WENVQHHKRDTGOR-GFCCVEGCSA-N 269.175 -0.430 50 20 CBGD Cc1nnc(CNCc2ccccc2B(O)O)s1 585033729 AWGIMMGDANAWEP-UHFFFAOYSA-N 263.131 -0.184 50 20 CBGD C[C@@H]1[C@@H](NCc2cccc(B(O)O)c2)CCCN1C 585035544 WBBMCOQGVFMEGP-RISCZKNCSA-N 262.162 -0.061 50 20 CBGD Cc1ccc(S(=O)(=O)NCB(O)O)c(Cl)c1 585054907 UBBVZSXCMGBAMX-UHFFFAOYSA-N 263.511 -0.061 50 20 CBGD CC(C)c1ncc(S(=O)(=O)N2CC[C@H](B(O)O)C2)[nH]1 585059098 YYGSFWRKHZCMBE-QMMMGPOBSA-N 287.150 -0.230 50 20 CBGD O=C(NCC(=O)N1CC[C@@H](B(O)O)C1)c1ccccc1 585071132 NDNFBQDXXRMNNU-LLVKDONJSA-N 276.101 -0.508 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cccc(O)c1 728437294 PJLVZFHUOLCOLB-QMMMGPOBSA-N 285.325 -0.220 50 20 CBGD CCNC(=O)[C@@H](C)NC(=O)NNC(=O)Cc1cccnc1 728956994 GCZWUAFJBCQTRX-SECBINFHSA-N 293.327 -0.521 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 729842803 NSCRGIKUYHSIID-SNVBAGLBSA-N 272.264 -0.402 50 20 CBGD O=C1CC(C(=O)NNC(=O)c2ccc3ccccc3n2)=NN1 731866013 PMFHBBXVIGQEPZ-UHFFFAOYSA-N 297.274 -0.128 50 20 CBGD CCc1noc(CCCC(=O)NNC(=O)CN(C)C)n1 733359596 KKGWBQWZWPHCIB-UHFFFAOYSA-N 283.332 -0.336 50 20 CBGD C[S@@](=O)CCNC(=O)NNC(=O)C1CCCC1 745846419 XMQMVNZWEZMMEX-QGZVFWFLSA-N 261.347 -0.115 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)C(C)(C)C 746828144 KVWWMGKIKXPMJE-SSDOTTSWSA-N 264.347 -0.139 50 20 CBGD Cc1ncc(C(=O)NNC(=O)N2CCOCC2)[nH]1 755259349 UYIIZEYQAJXKHK-UHFFFAOYSA-N 253.262 -0.595 50 20 CBGD CC(C)C(=O)NNC(=O)[C@H]1CN2CCCN1CC2 763467552 XHNGMSZXHZXATA-SNVBAGLBSA-N 254.334 -0.820 50 20 CBGD CC(=NNC(=O)CO)c1ccc(OCC(=O)N(C)C)cc1 776783170 YTFGQWIDGDKNCU-UHFFFAOYSA-N 293.323 -0.014 50 20 CBGD CCC1(CC)NC(=O)N(CC(=O)NN(C)C(N)=O)C1=O 778415452 WWXGMVPJCYPSLQ-UHFFFAOYSA-N 285.304 -0.861 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)NCC(F)(F)F 798313369 GPVWBAHPEKXLQT-RXMQYKEDSA-N 284.238 -0.206 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 823977318 UFWFMSJONXRHGR-UWVGGRQHSA-N 271.361 -0.023 50 20 CBGD C#CCOCCC(=O)NNC(=O)[C@@H]1CCCCO1 833246155 DWQPFTRVIPKAFS-JTQLQIEISA-N 254.286 -0.257 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)c1cccn1C 844302120 CZTXDMLJMHWXCB-UHFFFAOYSA-N 280.328 -0.052 50 20 CBGD CO[C@@H](C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 853292946 ZRVSRAUUZHVPKX-ZJUUUORDSA-N 289.357 -0.117 50 20 CBGD CC1=NO[C@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)C1 854516989 VXKXLJAVIUSQEJ-ZJUUUORDSA-N 289.357 -0.357 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NNc1ccncn1 857520973 VVIXROKPJHKVPC-SNVBAGLBSA-N 265.317 -0.112 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1ccccn1)[C@H]1CCC(=O)N1 858091941 KLPWKPUFVBYEIH-RKDXNWHRSA-N 276.296 -0.243 50 20 CBGD COC(C)(C)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858253504 DAXRNINVVAEEPB-ZETCQYMHSA-N 272.305 -0.980 50 20 CBGD CC(C)SCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858456549 IIWNLMBUCDSZMQ-QMMMGPOBSA-N 288.373 -0.263 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CC[C@H](C3CC3)C2)N1 858697333 RRKHZUKYGVDGTO-UWVGGRQHSA-N 280.328 -0.262 50 20 CBGD C[C@@H]1[C@@H](CO)CCCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 858702310 HBQQLLIMLBKEQJ-OPRDCNLKSA-N 298.343 -0.901 50 20 CBGD CC(C[C@H]1CCCC(=O)N1)=NNC(=O)[C@H]1CCC(=O)N1 863151320 KPONWQYTVYRDNP-NXEZZACHSA-N 280.328 -0.184 50 20 CBGD C=CCNC(=S)NNC(=O)c1cnn(CCN(C)C)c1 864455387 OEZVLFUIJUXDPQ-UHFFFAOYSA-N 296.400 -0.260 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CC1(Cl)Cl 869911621 APDAEWUEIGCRSD-ZCFIWIBFSA-N 285.127 -0.009 50 20 CBGD C[C@@H](CC[S@](C)=O)NC(=O)c1cccc(B(O)O)c1 900879137 NXAYAOQVYKADPJ-UGZDLDLSSA-N 283.158 -0.747 50 20 CBGD COC[C@H](NC(=O)[C@]1(C)C[C@@H]1Br)C(N)=O 907152127 YFYTXTRNAYDJSS-ATVXKPNKSA-N 279.134 -0.224 50 20 CBGD Cc1cn2ccnc(C(=O)NN(C)C[C@@H](C)O)c2n1 910151978 ICYXOVGSXJTFHN-SECBINFHSA-N 263.301 -0.005 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H]1COCC[C@H]1OC 934038725 ZTGPTKHXIOFMFW-IVZWLZJFSA-N 273.333 -0.674 50 20 CBGD O=C(CCO)NNC(=O)Nc1ccc(-n2nccn2)nc1 1116611207 WFXNSVBQSLYIOM-UHFFFAOYSA-N 291.271 -0.803 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cnn(C)c1C 1116730596 VRGNMIBAWSZTHV-UHFFFAOYSA-N 282.304 -0.640 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCC2=CCCOC2)cn1 1117437961 XCGKGVKKXZTREC-UHFFFAOYSA-N 279.300 -0.289 50 20 CBGD O=C(/C=C/c1nccs1)NNC(=O)[C@H]1CCC(=O)N1 1121186508 OKDJTYSAGQXFRR-KGGZQZJCSA-N 280.309 -0.418 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CCC[C@H]1OC 1262635565 SUZAJKOHUHABFU-VHSXEESVSA-N 274.317 -0.388 50 20 CBGD CNC(=O)c1cccc(C(=O)NNC(=O)c2ccncc2)n1 1320479472 WINGVMMBRGFGRF-UHFFFAOYSA-N 299.290 -0.089 50 20 CBGD COc1cncc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 1328522211 OGOQBXSBOJQLGB-SNVBAGLBSA-N 297.336 -0.025 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H]1CCc2n[nH]cc2C1 1328789224 NGIRWHXYPWOVIV-VIFPVBQESA-N 289.299 -0.366 50 20 CBGD O=C(Cn1cccn1)NNC(=O)C1CCOCC1 1331537927 SCRFLAPFAFTGNR-UHFFFAOYSA-N 252.274 -0.543 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cc(CN(C)C)on1 1332364974 FBUMWEFMFLDLOT-MRVPVSSYSA-N 256.306 -0.306 50 20 CBGD O=C(NNc1ncncc1F)[C@H]1CCc2nncn2C1 1343996577 DJVXSFYEYOHKMN-ZETCQYMHSA-N 277.263 -0.087 50 20 CBGD C/C=C/[C@@H]1CNC[C@H]1C(=O)NNC(=O)[C@H]1CCCO1 1576925742 SXNRTFQOWMOHDD-BOPATIOPSA-N 267.329 -0.276 50 20 CBGD CC(C)(C)[C@@H](NC(=O)c1cccc(B(O)O)c1)C(=O)O 1589718604 WCONVUNXOVUTSV-JTQLQIEISA-N 279.101 -0.405 50 20 CBGD O=C(O)c1ccc(C(=O)NNC(=O)N2CCOCC2)o1 1602323555 JFAHTDIDLJPLIV-UHFFFAOYSA-N 283.240 -0.336 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccsc2C(=O)O)N1 1602638531 RGRLSTKDGZRSBT-ZCFIWIBFSA-N 297.292 -0.514 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(S(N)(=O)=O)cc1 49183485 AOOBFCIXOOJWBN-UHFFFAOYSA-N 286.313 -0.702 50 20 CBGD CCc1c(C(=O)NNC(=O)CO)cnn1-c1ccccn1 180948291 YODWSVSMWOSDIF-UHFFFAOYSA-N 289.295 -0.417 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 191791849 SKFKLFFQMVLUAC-SNVBAGLBSA-N 264.281 -0.092 50 20 CBGD CN(C)C(=O)CCCNC(=O)NNC(=O)C1CCC1 264680731 APSRUONPOMZTQC-UHFFFAOYSA-N 270.333 -0.015 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1ccn(C)c1 267245790 YSEQBOXWANAGCL-SNVBAGLBSA-N 298.343 -0.093 50 20 CBGD CN1C[C@@H](NC(=O)NNc2ccc(Cl)nn2)CC1=O 267694041 RAQIODIJDJYOTN-LURJTMIESA-N 284.707 -0.013 50 20 CBGD COCCCOCC(=O)NNc1nccnc1OC 274144619 XXUKRJAWYVFYSE-UHFFFAOYSA-N 270.289 -0.019 50 20 CBGD COc1cncc(S(=O)(=O)NNC(=O)NC(C)C)c1 282035538 QMLGRZOYWMUBHS-UHFFFAOYSA-N 288.329 -0.009 50 20 CBGD CCNC(=O)N(C)NC(=O)CNc1ccccc1C(N)=O 289401029 GOVFORPGLUMBNO-UHFFFAOYSA-N 293.327 -0.110 50 20 CBGD C#CCOCCNS(=O)(=O)CBr 307942223 CXZVGVJKBVJUFH-UHFFFAOYSA-N 256.121 -0.092 50 20 CBGD CCN1CC[C@H](N(C)C(=O)c2ccc(B(O)O)c(F)c2)C1 584942952 XOMKFHPXVLWIAH-NSHDSACASA-N 294.135 -0.328 50 20 CBGD C[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)N1CCCC1 584986357 WTFACYDXDATZSG-JTQLQIEISA-N 290.128 -0.893 50 20 CBGD C[C@@H]1C[C@@H](O)CN(C(=O)c2ccc(B(O)O)c(F)c2)C1 585001416 WCXCKTBSXFUVMD-PSASIEDQSA-N 281.092 -0.652 50 20 CBGD CN1CC[C@@H](CNCc2cccc(B(O)O)c2)CC1=O 585048171 KBRVXDKIHVNRTO-GFCCVEGCSA-N 276.145 -0.676 50 20 CBGD O=C(Cn1ccc(C(F)(F)F)n1)N1CC[C@@H](B(O)O)C1 585075084 PSQDVOCYHUIZKX-SSDOTTSWSA-N 291.038 -0.023 50 20 CBGD O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CC[C@@H](B(O)O)C1 585076784 ZKZIREVLJRRGLK-RKDXNWHRSA-N 266.106 -0.927 50 20 CBGD CCOCC(=O)NN=C(C)CS(=O)(=O)CC 733747782 SGGVTEPXWUORFI-UHFFFAOYSA-N 250.320 -0.050 50 20 CBGD C[C@H]1CC(=NNC(=O)C(=O)NC2CC2)CCN1C 741462830 WLTNBQSWOAXLHO-QMMMGPOBSA-N 252.318 -0.149 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@H]1COCCO1)C1CC1 745172998 BFAPQEJHNXZUCG-IONNQARKSA-N 273.358 -0.304 50 20 CBGD CCN1CCO[C@@H](C(=O)NNC(=O)c2ccccn2)C1 746091988 RBPFPPCZVJWBRR-LLVKDONJSA-N 278.312 -0.437 50 20 CBGD CC(C)c1[nH]nc(C(=O)NNC(=O)CO)c1[N+](=O)[O-] 753438800 RYNFFLLWHOBKKW-UHFFFAOYSA-N 271.233 -0.805 50 20 CBGD N#Cc1cc(F)c(C(=O)NNC(=O)CO)c(F)c1 753440313 ZTIIHZPTKUBOAW-UHFFFAOYSA-N 255.180 -0.410 50 20 CBGD O=C(CN1CCCC2(C1)OCCO2)NNC(=O)C1CC1 761684233 AOSAZFZEHXGKCF-UHFFFAOYSA-N 283.328 -0.617 50 20 CBGD Cc1cc(NC(=O)C(=O)NNC(=O)CO)ccc1N(C)C 764429668 VFNSSAWUILPLTK-UHFFFAOYSA-N 294.311 -0.861 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1ccncc1F 769626577 WLAXOTAVUGHTDQ-UHFFFAOYSA-N 280.259 -0.396 50 20 CBGD CO[C@H](C(=O)NNc1ccc(C(N)=O)nn1)C(C)C 771737391 OWSKOEIKLZEIHK-VIFPVBQESA-N 267.289 -0.310 50 20 CBGD Cc1noc(C)c1C(=O)NNC(=O)N1CCN(C)CC1 788166414 MKGNPTVQMDZFIS-UHFFFAOYSA-N 281.316 -0.107 50 20 CBGD COCCC(C)=NNC(=O)[C@@H]1CCS(=O)(=O)C1 814781194 AXMKCIDFOQSNEP-SECBINFHSA-N 262.331 -0.050 50 20 CBGD CC(=NNC(=O)Cc1cc(C)[nH]n1)c1cnnn1C 814786631 DLJZMAOMXUVWHR-UHFFFAOYSA-N 261.289 -0.070 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1CC[C@H]1C(N)=O 816971014 QZXDLJKQJGZMQJ-RNFRBKRXSA-N 265.273 -0.560 50 20 CBGD Cc1c(C(=O)NN)nnn1-c1ccc2c(c1)OCCO2 825645382 ZJBPRSLRSDDUNI-UHFFFAOYSA-N 275.268 -0.050 50 20 CBGD COC(=O)C1(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1 826542141 JFUJKFOXQAKRJW-RKDXNWHRSA-N 299.327 -0.305 50 20 CBGD CCC[C@H](C(=O)NNc1ncc(F)cn1)S(N)(=O)=O 831349446 CGHDVDDGAXPLJL-SSDOTTSWSA-N 291.308 -0.484 50 20 CBGD NCCOc1ccc(NCC(=O)NNC(=O)C2CC2)cc1 843365015 BAENYLJMOMIYEJ-UHFFFAOYSA-N 292.339 -0.007 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2nncn2c1 843649582 VRWOHUXLKOVAJD-WPRPVWTQSA-N 289.295 -0.085 50 20 CBGD CC(=O)NNC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 845071269 BMIOFJKVXFWIFQ-JTQLQIEISA-N 283.259 -0.916 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CCc2nnnn2CC1 845927028 WGTQLDXTWIASOA-QMMMGPOBSA-N 281.320 -0.682 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)[C@@H](O)C1CC1 847116902 SRZGHAFZNWNSLP-YFKPBYRVSA-N 255.196 -0.350 50 20 CBGD CCN1CCC[C@H]1CNC(=O)NNC(=O)c1ncccn1 858120518 GVBYHECJQGVTAP-JTQLQIEISA-N 292.343 -0.095 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCCOC(F)(F)F)N1 858385673 XVCHLBSXZOVNMH-RXMQYKEDSA-N 298.221 -0.868 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC2CC3(CCC3)C2)N1 858590167 LZYQBJZYYNROTH-SECBINFHSA-N 280.328 -0.072 50 20 CBGD CC[C@@H]1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858695712 FLLOKHDTTHBZJE-BDAKNGLRSA-N 268.317 -0.262 50 20 CBGD N#Cc1ccc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 862452640 GGJMFTOZCACPIL-NSHDSACASA-N 286.291 -0.473 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)/C=C\C1CCCC1 863466735 ASNLAOBSOMHVOD-SREVYHEPSA-N 274.342 -0.075 50 20 CBGD COCCOCC(=O)NNC(=O)c1cnn(CC2CC2)c1 869914239 XOUMVLLIZLRSGP-UHFFFAOYSA-N 296.327 -0.283 50 20 CBGD CN(C)C(=O)COC1CN(S(=O)(=O)CCCCl)C1 881978098 YKDCLEFOIJAUHT-UHFFFAOYSA-N 298.792 -0.266 50 20 CBGD COCC1(S(=O)(=O)NNC(=O)N(C)C)CC1 882686533 ZYUCDEPFURVDSY-UHFFFAOYSA-N 251.308 -0.729 50 20 CBGD CC(C)C(=O)NNC(=O)C1CN([C@@H]2CCOC2)C1 895510045 GQLQPZIOTQFXRJ-SNVBAGLBSA-N 255.318 -0.490 50 20 CBGD C[C@@H](CC[S@@](C)=O)NC(=O)c1cccc(B(O)O)c1 900879140 NXAYAOQVYKADPJ-ZRNGKTOUSA-N 283.158 -0.747 50 20 CBGD C[C@H]1Cn2nc(C(=O)NNc3ncccn3)cc2CN1 1120463224 ZUZGWZKFMOCRJZ-QMMMGPOBSA-N 273.300 -0.078 50 20 CBGD C#CCN1CCC(C(=O)NNc2nnc(C)c(O)n2)CC1 1317977260 BXSUWFBBPWSOFW-UHFFFAOYSA-N 290.327 -0.326 50 20 CBGD CC(C)NC(=O)NNC(=O)c1ccoc1CC(N)=O 1323533718 SLYNNAXWKYGWLF-UHFFFAOYSA-N 268.273 -0.340 50 20 CBGD NCCCCCCNC(=O)NNC(=O)C1CCNCC1 1326063213 YWAGTRRDINRUFI-UHFFFAOYSA-N 285.392 -0.165 50 20 CBGD C#CCCCCC(=O)NNC(=O)CS(C)(=O)=O 1329591259 ZKNCTHWBIKWJBO-UHFFFAOYSA-N 260.315 -0.628 50 20 CBGD O=C(NNC(=O)N1CCO[C@@H](C(F)F)C1)c1cn[nH]c1 1332258260 IYXSEQNAOBVUQV-SSDOTTSWSA-N 289.242 -0.270 50 20 CBGD Cn1ccnc(NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)c1=O 1335551542 GDBUZQVDWMTEEQ-CNUIFLNQSA-N 262.269 -0.552 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cc(CN(C)C)on2)n[nH]1 1337547960 BKDHWNNBXQQZPY-UHFFFAOYSA-N 292.299 -0.157 50 20 CBGD C[C@H](C[S@](C)=O)NC(=O)NNC(=O)c1ccc[nH]1 1337716663 REJXDBDSLQJUTF-MDTSDYNXSA-N 272.330 -0.274 50 20 CBGD Cc1ccc(NNC(=O)c2cn(CC(N)=O)nn2)cc1 1340932163 ZJCWBRJWMRGSPP-UHFFFAOYSA-N 274.284 -0.171 50 20 CBGD CNC(=S)N(C)NC(=O)CCc1cncn1C 1347797083 RCDASEPVBPAWDP-UHFFFAOYSA-N 255.347 -0.180 50 20 CBGD COc1nccnc1NNC(=O)C[C@@H]1CC(=O)N1 1351033191 NKOYOPRGFJBRDK-LURJTMIESA-N 251.246 -0.793 50 20 CBGD C[C@@H](CCCN)NC(=O)NNC(=O)c1ccc(=O)n(C)c1 1575952810 QUVOCPBPIIHTRI-VIFPVBQESA-N 295.343 -0.543 50 20 CBGD O=C(Cc1c[nH]c2cnccc12)NNC(=O)[C@H]1CCN1 1580565978 GJGBAGYSEQMHNC-SNVBAGLBSA-N 273.296 -0.385 50 20 CBGD COC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)s1 1591275185 PBKAFCUZFSATNW-UHFFFAOYSA-N 268.258 -0.071 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1C[C@H]1C(=O)O 1594646438 XPVWYLFHBDXDMO-DKXJUACHSA-N 256.258 -0.721 50 20 CBGD C[C@@H](CO)N(C)NC(=O)COCc1ocnc1C(=O)O 1604204076 WPCMGSCMXQDLPB-ZETCQYMHSA-N 287.272 -0.767 50 20 CBGD C[C@@H]1Oc2ccccc2[C@H]1NC(=O)NNC(=O)C(=O)O 1604836729 ICTCWXFBGHIAGE-RCOVLWMOSA-N 279.252 -0.076 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@@H]1CC(C(=O)O)=NO1 1605669616 LZNSXNVJUMXXMI-BYPYZUCNSA-N 283.162 -0.684 50 20 CBGD O=C(O)c1cccc(C(=O)NNC(=O)c2ncon2)c1 1606508528 KRDVLZYSIAXEJR-UHFFFAOYSA-N 276.208 -0.157 50 20 CBGD Cn1nnc(C(=O)NNc2cccc(C(=O)O)c2F)n1 1608165833 RUEVTRDNDNAETP-UHFFFAOYSA-N 280.219 -0.196 50 20 CBGD O=C(O)CC1(NC(=O)c2cccc(B(O)O)c2)CCCC1 1608685867 CPQGZJQEUCGOHA-UHFFFAOYSA-N 291.112 -0.116 50 20 CBGD CC#CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1609059651 CBAJLSISWNNIGU-UHFFFAOYSA-N 270.252 -0.349 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cc([N+](=O)[O-])c[nH]1 27338698 ONJUYZQHRXGQCA-UHFFFAOYSA-N 283.244 -0.391 50 20 CBGD CNC(=O)NNC(=O)COc1ccc(-c2nnn[nH]2)cc1 95189463 HVEGXXFWXDHEEX-UHFFFAOYSA-N 291.271 -0.794 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CCn1cccn1 111280255 RAHVKQPPLSOSDZ-SNVBAGLBSA-N 267.333 -0.239 50 20 CBGD CC(=O)NCC(=O)NCC(=O)NNc1cccc(C)c1 111558175 LPHZLAATHKMRPT-UHFFFAOYSA-N 278.312 -0.310 50 20 CBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)c1cccn1C 176442660 DTWYULIIDJPFCC-QMMMGPOBSA-N 287.341 -0.533 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1C[C@H]1C(=O)OC 263667512 USNSMEDZNWWHEM-NKWVEPMBSA-N 257.315 -0.523 50 20 CBGD COC(=O)C[C@H](C)C(=O)NNC(=O)Cc1cccnc1 268253405 ZVQMLLDNUDKULN-VIFPVBQESA-N 279.296 -0.029 50 20 CBGD Cn1cc(C(=O)NNC(=O)C[C@@](C)(O)C2CC2)cn1 270044011 KGBGZLBEAXPTGE-GFCCVEGCSA-N 266.301 -0.268 50 20 CBGD CO[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)C1CC1 280866873 QYRGJOBSNLENRI-MRVPVSSYSA-N 257.290 -0.917 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1cc2n(n1)CCCC2 287434198 SRMDCJNTBOYUBL-UHFFFAOYSA-N 280.332 -0.066 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 299115041 JDSFTKXWRFWKKR-YFKPBYRVSA-N 282.222 -0.643 50 20 CBGD COC(=O)N(C)NC(=O)C1(S(C)(=O)=O)CCC1 495692270 GWKMXYTWKVZXKH-UHFFFAOYSA-N 264.303 -0.317 50 20 CBGD CCC(O)(CC)CNC(=O)c1cc(B(O)O)ccc1F 584952076 LTHDJUJUBVGBQY-UHFFFAOYSA-N 283.108 -0.214 50 20 CBGD CC(C)(CO)CCCNC(=O)c1cccc(B(O)O)c1 584958979 ADXOVFVCRYYDJF-UHFFFAOYSA-N 279.145 -0.105 50 20 CBGD CN(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1 584959862 GZKXWSJVCNQLAU-KGLIPLIRSA-N 290.172 -0.031 50 20 CBGD CC[C@H](NC(=O)c1cc(B(O)O)ccc1F)[C@H](C)O 584997669 JYXGOEVEQMVKIY-CPCISQLKSA-N 269.081 -0.605 50 20 CBGD C[C@@H]1C[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)CO1 585003272 JKHCYVQRTXAYIJ-APPZFPTMSA-N 267.065 -0.587 50 20 CBGD CN(CC(F)(F)F)C(=O)CNCc1ccc(B(O)O)o1 585025172 NKNNZPGDLLGSGK-UHFFFAOYSA-N 294.038 -0.930 50 20 CBGD CC(C)C(=O)N1CC[C@@H](NCc2ccc(B(O)O)cc2)C1 585031138 ROBOTLJNUDDOJL-CQSZACIVSA-N 290.172 -0.287 50 20 CBGD CCO[C@@H]1COCC[C@H]1NCc1ccc(B(O)O)cc1F 585035275 QSVJKAYSTHSFRP-ZIAGYGMSSA-N 297.135 -0.211 50 20 CBGD OB(O)c1ccc(CNCc2nnnn2CC2CC2)cc1 585037097 VKVTYIDVORTVPG-UHFFFAOYSA-N 287.132 -0.947 50 20 CBGD CC(C)c1n[nH]c(CNCc2cccc(B(O)O)c2)n1 585042966 GNIUTHMRUDDCBP-UHFFFAOYSA-N 274.133 -0.102 50 20 CBGD O=C(NCC(=O)N1CC[C@@H](B(O)O)C1)Nc1ccccc1 585069408 NYKVKWUSBNXKKI-SNVBAGLBSA-N 291.116 -0.117 50 20 CBGD Cc1n[nH]cc1S(=O)(=O)NNC(=O)c1cccn1C 730088353 DQVFUEZRJAJZOS-UHFFFAOYSA-N 283.313 -0.320 50 20 CBGD COCCCNC(=O)NNC(=O)COC[C@H]1CCCO1 733256589 UGTFEYGEUNPXQZ-SNVBAGLBSA-N 289.332 -0.451 50 20 CBGD CN(C)CCCNC(=S)NNC(=O)c1cnn(C)c1 735417176 NTFWSGRVGHRYFS-UHFFFAOYSA-N 284.389 -0.519 50 20 CBGD CC1(C)OCC(C)(C(=O)NNC(=O)Cc2cc[nH]n2)CO1 755290717 UROAEBJXDFGLPD-UHFFFAOYSA-N 296.327 -0.111 50 20 CBGD O=C(NNC(=O)[C@@H]1CC12CCC2)C(=O)NC1CC1 759692293 ADEOIEVYNGSHRA-QMMMGPOBSA-N 251.286 -0.397 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)c1cccnc1 771601001 BOFUTSOMAWTJMY-VIFPVBQESA-N 262.269 -0.537 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@@H]2CCCCO2)nn1 772476936 XYXATEPNUVKFNG-QMMMGPOBSA-N 265.273 -0.412 50 20 CBGD COCC1(C(=O)NNC(=O)c2c[nH]nc2C)CC1 778715668 RTWAWOHTUTWGQQ-UHFFFAOYSA-N 252.274 -0.094 50 20 CBGD COCCCNC(=O)NNS(=O)(=O)c1ccco1 783528142 CERHOMAHXPPOGX-UHFFFAOYSA-N 277.302 -0.191 50 20 CBGD CCN(CC(N)=O)[C@@H](C)C(=O)NNC(=O)CC(C)C 789519595 QFNDBCROFVDVNY-VIFPVBQESA-N 272.349 -0.624 50 20 CBGD COC(=O)COCC(=O)NNC(=O)CCc1ccccc1 806725810 VNOVGJFWJGNFBV-UHFFFAOYSA-N 294.307 -0.044 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H](O)c2cccnc2)CC1 807378560 FZBQRJQILNINGB-NSHDSACASA-N 293.327 -0.897 50 20 CBGD CC[C@@H](O)[C@H](C)C(=O)NNC(=O)c1cnn(C)c1 822576218 PKERFMHMNRPQBQ-IONNQARKSA-N 254.290 -0.412 50 20 CBGD CC[C@H]1CN(C)CCN1CC(=O)NNC(=O)C(C)C 823189563 HTGFGHXTKLWDML-NSHDSACASA-N 270.377 -0.184 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cncc(N2CCOCC2)c1 823940331 XFDSNPDOLNUMEA-NSHDSACASA-N 294.355 -0.124 50 20 CBGD N[C@@H]1C[C@@H]1C(=O)NNc1nc(-c2ccncc2)no1 828218155 ZEGQDGRFTPMLDF-JGVFFNPUSA-N 260.257 -0.078 50 20 CBGD Cc1cc(C(=O)NNC(=O)C[C@H]2CCC(=O)N2C)n[nH]1 831424314 LCNJPUUBZMFHIH-MRVPVSSYSA-N 279.300 -0.510 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccccc1OCC(=O)O 833387350 ZZILFEJCDREWFI-UHFFFAOYSA-N 279.252 -0.525 50 20 CBGD CON(C)C(=O)CCC(C)=NNC(=O)CN1CCCC1=O 834932241 GRYQAQOJEDQSRB-UHFFFAOYSA-N 298.343 -0.099 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)N1CCC[C@H]1C 842589640 KQFQESDGIBIYPS-UTLUCORTSA-N 291.373 -0.239 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(C(N)=O)n1 843980609 VLXKZYLFTVHPKL-HTQZYQBOSA-N 292.295 -0.634 50 20 CBGD C[C@@H](N)[C@H]1CN(S(=O)(=O)CBr)CCO1 850585383 ZQCRKJALIOIEMY-RNFRBKRXSA-N 287.179 -0.283 50 20 CBGD O=C(NN=Cc1csnn1)[C@@H]1CN2CCC[C@@H]2CO1 853388903 WARPVSWLWCAYPC-ZJUUUORDSA-N 281.341 -0.149 50 20 CBGD O=C(CC1CCCC1)NNC(=O)C1(n2cnnn2)CC1 857090484 TTZGVAGFMCOWKH-UHFFFAOYSA-N 278.316 -0.110 50 20 CBGD C[C@]1(CNC(=O)Cn2cnnn2)C[C@H]1Br 857690360 RXZDUZAVRVORMD-HTRCEHHLSA-N 274.122 -0.037 50 20 CBGD CCOC(=O)[C@@H](CC)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862461595 QGJLVUVPXFDTCN-YUMQZZPRSA-N 285.300 -0.998 50 20 CBGD CC(C(=O)NNC(=O)[C@@H]1CCC(=O)N1)=C1CCC1 862462184 VFBQRAVETBKTFB-VIFPVBQESA-N 251.286 -0.087 50 20 CBGD CCc1cccc(C(=O)NNC(=O)CS(C)(=O)=O)n1 863466612 YSNQUHYKOSDRGW-UHFFFAOYSA-N 285.325 -0.550 50 20 CBGD CCC[C@@](C)(NC(=O)c1ccc(B(O)O)cc1)C(=O)OC 863871334 JJKXUQNAYCKWGU-CQSZACIVSA-N 293.128 -0.172 50 20 CBGD COC[C@@H](NS(=O)(=O)CCCCl)C(=O)OC 882048352 MCWZNXFREHGPGH-SSDOTTSWSA-N 273.738 -0.277 50 20 CBGD CC[C@H](O)[C@@H](C)C(=O)NNC(=O)CN1CCCC1=O 913733363 GJBXWLUNCYKLLF-BDAKNGLRSA-N 271.317 -0.837 50 20 CBGD CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 923313287 DCTNSVDUPRSKJK-UONOGXRCSA-N 288.156 -0.325 50 20 CBGD CCCN1CCCC[C@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1118942603 FUMFUXZUEWDMJT-QWRGUYRKSA-N 296.371 -0.323 50 20 CBGD NC(=O)N1CCC[C@H](C(=O)NNC(=O)C2CC2)C1 1318011551 XHTARBRGMIWOTJ-QMMMGPOBSA-N 254.290 -0.666 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1COc2ccc(C)cc21 1319741949 STYDQLPRMWWFSX-SECBINFHSA-N 293.279 -0.068 50 20 CBGD COc1nccnc1NNC(=O)CCc1nc[nH]n1 1320236704 DVSHUZZJFRTMLL-UHFFFAOYSA-N 263.261 -0.321 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCc1ccncn1 1321924835 NYWIKBCVDWMAEU-UHFFFAOYSA-N 274.284 -0.098 50 20 CBGD Cn1nncc1NNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 1324336110 WGVVWKQUUUFGAW-JTQLQIEISA-N 292.343 -0.093 50 20 CBGD Cc1nnc(CC(=O)NNC(=O)C(=O)N2CCCC2)s1 1328746976 RPVOSCXLYBGQAI-UHFFFAOYSA-N 297.340 -0.841 50 20 CBGD Cc1cc(OCC(=O)NNC(=O)C2CCOCC2)no1 1330854515 ADJSZRSWDGJFNR-UHFFFAOYSA-N 283.284 -0.064 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NNc1ccncn1 1332094126 PSYLCFDHHASIGU-SFYZADRCSA-N 280.288 -0.441 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1cnc[nH]1 1332208841 SIJPRYGJXWKUJI-VXNVDRBHSA-N 252.274 -0.475 50 20 CBGD CN(C)C(=O)NNC(=O)c1cn(C(C)(C)C)nn1 1338919192 JZNDKMVFNQGSBD-UHFFFAOYSA-N 254.294 -0.051 50 20 CBGD COC(=O)N(C)NC(=O)NC[C@@H](C)N1CCN(C)CC1 1347622132 XNVDARPNUZKZGZ-SNVBAGLBSA-N 287.364 -0.465 50 20 CBGD CN(C)[C@@H]1CCC[C@@H](C(=O)NNC(=O)CCN)C1 1578410277 FQVHKMDQHGKHOS-NXEZZACHSA-N 256.350 -0.397 50 20 CBGD CNNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 1578744247 BHOLYERLBJZCKK-MNOVXSKESA-N 264.285 -0.770 50 20 CBGD O=C(COC1CNC1)NNc1cc(O)nc2ncccc12 1580560730 ZHTKGACZBQHMRO-UHFFFAOYSA-N 289.295 -0.233 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H](C)CC(=O)O)O1 1592359589 ICZGASSPLNEODN-FXQIFTODSA-N 258.274 -0.188 50 20 CBGD COCCN(CC(=O)O)C(=O)/C(C#N)=C\c1cnn(C)c1 1593997106 GSPBQBPXWMICHV-WZUFQYTHSA-N 292.295 -0.113 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1sccc1C(=O)O 1594712330 HQYQNAMJZZVEAM-UHFFFAOYSA-N 285.281 -0.058 50 20 CBGD Cn1cc(C(=O)NN[C@H](C(=O)O)c2ccsc2)nn1 1600931907 HFIUVZWTLREDQQ-QMMMGPOBSA-N 281.297 -0.063 50 20 CBGD N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)O 1601046522 VVIBXUKAFPEEHT-NKLKJHRZSA-N 276.248 -0.139 50 20 CBGD O=C(CC1CC1)NNC(=O)Cn1cc(C(=O)O)cn1 1601248118 MFHRNJGHAZNZSE-UHFFFAOYSA-N 266.257 -0.471 50 20 CBGD CCNC(=O)NNC(=O)Cc1ccc(-c2nn[nH]n2)cc1 1604355229 QQEYXBKOONCMHX-UHFFFAOYSA-N 289.299 -0.241 50 20 CBGD COCCONC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1605112953 KSYPEZDIYOJZLL-UHFFFAOYSA-N 294.275 -0.534 50 20 CBGD C[C@H](CNC(=O)NNC(=O)C(=O)O)c1nccs1 1609746165 CFPXNCCZJUMIOX-RXMQYKEDSA-N 272.286 -0.338 50 20 CBGD CC(=O)N(C)CC(=O)NNc1cc(Cl)nc(N)n1 273539417 SVCJXXGNXULOFF-UHFFFAOYSA-N 272.696 -0.366 50 20 CBGD C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)CN(C)C 280757954 QLIHMULPKSJSPM-IUCAKERBSA-N 255.318 -0.299 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)[nH]1 294730574 UEUYJBCIAPHDJJ-VIFPVBQESA-N 281.268 -0.259 50 20 CBGD O=S(=O)(CCl)NCCN1CCC(O)CC1 321098118 BUHGMIORVGJTJM-UHFFFAOYSA-N 256.755 -0.441 50 20 CBGD COC(=O)N(C)NC(=O)CCCN1C(=O)CCC1=O 495987469 IYFSFBUXFYVPPU-UHFFFAOYSA-N 271.273 -0.355 50 20 CBGD CCN(CC)CCNC(=O)c1ccc(B(O)O)c(F)c1 584923003 BRPHIIAXSFSUSK-UHFFFAOYSA-N 282.124 -0.423 50 20 CBGD CCN1CC[C@@H](CNC(=O)c2cc(B(O)O)ccc2F)C1 584934067 OKYGFLXIUZZAKB-JTQLQIEISA-N 294.135 -0.423 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)CCCO1 584939967 PKJOEZAHQAAIGV-SNVBAGLBSA-N 263.102 -0.383 50 20 CBGD CC(C)(O)[C@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 584964162 DKZWCHFMKGJDAV-GFCCVEGCSA-N 277.129 -0.258 50 20 CBGD CC(C)[C@@H](C#N)NC(=O)c1cc(B(O)O)ccc1F 584975554 FZHMIWNJUBUYJW-LLVKDONJSA-N 264.065 -0.217 50 20 CBGD CCN1CC[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 584998577 AVHFKRZKHCNIGI-JTQLQIEISA-N 280.108 -0.671 50 20 CBGD CC(C)(CO)[C@@H](NC(=O)c1ccc(B(O)O)cc1)C1CC1 585004791 NIKOTEDVDAPXCS-ZDUSSCGKSA-N 291.156 -0.107 50 20 CBGD CC(C)NC(=O)C[C@H](C)NCc1ccc(B(O)O)o1 585023958 RGJHNUKZTUYVES-VIFPVBQESA-N 268.122 -0.648 50 20 CBGD CC(C)[C@](C)(O)CNCc1cccc(B(O)O)c1 585024012 RVYIRZXZFADZBL-CYBMUJFWSA-N 251.135 -0.137 50 20 CBGD OB(O)c1ccc(CNCCCNc2ccccn2)o1 585034309 OGPDGOXVJXDZMJ-UHFFFAOYSA-N 275.117 -0.054 50 20 CBGD OCCCN1CCC[C@@H]1CNCc1ccccc1B(O)O 585043795 RQRLTTADFDOZMM-CQSZACIVSA-N 292.188 -0.697 50 20 CBGD C=CCOCCNCc1ccc(B(O)O)cc1F 585049947 MYQTVBCGRPRHEZ-UHFFFAOYSA-N 253.082 -0.202 50 20 CBGD NC(=O)c1cc(Cl)nnc1N1CC[C@@H](B(O)O)C1 585074106 SWMACYYSSKGNME-RXMQYKEDSA-N 270.485 -0.718 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@@H](C)C(=O)OC(C)C 745905870 NZNZUGLXYHNQSG-SECBINFHSA-N 289.332 -0.059 50 20 CBGD O=C(CN1CC[C@@H]([C@@H]2CCOC2)C1)NNC(=O)C1CC1 750263274 TVQPBQYVIMBHMI-VXGBXAGGSA-N 281.356 -0.098 50 20 CBGD COCC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 754256610 BZEQGTGYRVDMKE-VIFPVBQESA-N 289.357 -0.115 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)C[C@H]1CCCO1 768494617 OIUCYGNQZHHANW-MRVPVSSYSA-N 265.335 -0.339 50 20 CBGD CCOc1nc(C(=O)NNC(=O)N2CCOCC2)co1 772579978 NIDMHAKSGRNGIS-UHFFFAOYSA-N 284.272 -0.240 50 20 CBGD Cn1ccnc(NC(=O)NNc2ncccn2)c1=O 775712236 AHYYUSUKWKKNPC-UHFFFAOYSA-N 261.245 -0.281 50 20 CBGD CCO[C@@H]1COCC[C@H]1N[C@@H](C)C(=O)NNC(=O)CC 776488712 VEMURLRGOPTNTI-HBNTYKKESA-N 287.360 -0.284 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)c2cccnc2)on1 777789720 GKZKUCNDTCCSJU-UHFFFAOYSA-N 290.235 -0.069 50 20 CBGD CCC(=O)NNS(=O)(=O)c1cn2c(n1)CCCC2 779829370 HZQCSFINFSNJPW-UHFFFAOYSA-N 272.330 -0.061 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1CO[C@@H](C)C1 784149683 PYUUNXMQLHLZFJ-IUCAKERBSA-N 259.306 -0.222 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)NCC(F)(F)F)C1 798314674 WKPQYTGJNDYRBZ-LURJTMIESA-N 284.238 -0.790 50 20 CBGD COCCN(C)NC(=O)C(C)(C)S(=O)(=O)C1CC1 819744863 GUWZSYQFZHYBMB-UHFFFAOYSA-N 278.374 -0.048 50 20 CBGD CCN(CCO)NC(=O)c1nn(C)c(=O)c2ccccc12 823833816 KDHMJUNZFSTXEP-UHFFFAOYSA-N 290.323 -0.108 50 20 CBGD CN1CCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCCO1 833250129 CKXVGACMTJLSEB-ZJUUUORDSA-N 255.318 -0.203 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)N1CCCC1 842592865 PTGUEJBNUCISCC-DTWKUNHWSA-N 277.346 -0.627 50 20 CBGD CC[C@H]1CN(CC(=O)NNC(=O)C2CC2)CC[C@@H]1N 843377639 RSZTZUNMKWHQCD-ONGXEEELSA-N 268.361 -0.397 50 20 CBGD O=C(NNc1ccnc(F)c1)[C@H]1CCS(=O)(=O)N1 845929360 BMGZXIHIBVJSQT-SSDOTTSWSA-N 274.277 -0.645 50 20 CBGD C[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)[C@H](CN)C1 852759621 RAQQCCDGNFCCGT-KOLCDFICSA-N 268.361 -0.397 50 20 CBGD CC[C@@H]1COCC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1 853292736 WMGZWMCYLXGCOK-BDAKNGLRSA-N 289.357 -0.115 50 20 CBGD O=C(NNC(=O)[C@@]1(O)CCOC1)OCC(F)(F)F 856026036 JLJVRQIKGOAYHX-SSDOTTSWSA-N 272.179 -0.543 50 20 CBGD O=C(CO)NNC(=O)c1ccc2c(c1)nc(O)n2C1CC1 857168731 CPTKQTCOAKPBFN-UHFFFAOYSA-N 290.279 -0.170 50 20 CBGD O=C(CO)NNC(=O)c1cnc2n1CCCCC2 857169652 JRHIWYSFNKUJBZ-UHFFFAOYSA-N 252.274 -0.637 50 20 CBGD C[C@@H]1CCCN(C(=O)C(=O)NNc2cnnn2C)C1 857272501 CEBQOQFEWXZYCK-MRVPVSSYSA-N 266.305 -0.483 50 20 CBGD CC(C)C(=O)NNC(=O)CN(C)CC1(C)COC1 859570786 BXHFPWMSBSSPRR-UHFFFAOYSA-N 257.334 -0.242 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cncc(Cl)n2)N1 863934660 GIHUHBKGXCHLNX-YFKPBYRVSA-N 283.675 -0.830 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCCOC1CCOCC1 867672841 WQXZEINUFKUTNJ-UHFFFAOYSA-N 288.344 -0.120 50 20 CBGD COCCOCC(=O)NNC(=O)c1cn(C(C)C)cn1 869906556 WPVSQMQBFRVTSD-UHFFFAOYSA-N 284.316 -0.112 50 20 CBGD Cn1cnc(C(=O)NNC(=O)CC(C)(C)C)cc1=O 878716777 MVJKBBMWDRTESI-UHFFFAOYSA-N 266.301 -0.023 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CN1CCCCCC1=O 910179221 UORANBZKZZNEQN-SNVBAGLBSA-N 257.334 -0.267 50 20 CBGD Cc1cc(=NNC(=O)c2cn(C)c(=O)n2C)cc[nH]1 912981291 IAPREJBEVXMRDM-UHFFFAOYSA-N 261.285 -0.394 50 20 CBGD CN(C)C1(CNC(=O)NNC(=O)N=c2cc[nH]cc2)CC1 922987110 CYFWKQKPSDVCHM-UHFFFAOYSA-N 292.343 -0.067 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)C[C@@H]1CC(=O)NC1=O 929430204 YFZXHLUOENIKFL-LURJTMIESA-N 286.357 -0.667 50 20 CBGD O=C(NNC(=O)c1cccc(F)c1O)C(=O)N1CCCC1 931248768 YQTHPRHCDCOYMU-UHFFFAOYSA-N 295.270 -0.085 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1nocc1C 1116621235 WSFHMOADRUHJFV-UHFFFAOYSA-N 270.245 -0.895 50 20 CBGD CNC(=S)N(C)NC(=O)c1c[nH]nc1[N+](=O)[O-] 1118713805 SZUXZHKCASRSFV-UHFFFAOYSA-N 258.263 -0.601 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCO2 1254888684 JWUPTNBDEKQTPI-UHFFFAOYSA-N 265.225 -0.479 50 20 CBGD CC(C)NC(=S)NNC(=O)c1ccn2nnnc2c1 1261661605 WKQRLJCRAGHENG-UHFFFAOYSA-N 279.329 -0.358 50 20 CBGD O=C(CN1C(=O)CCC1=O)NNC(=O)NC1CCCCC1 1317696805 OECBXGLSSYSRBP-UHFFFAOYSA-N 296.327 -0.202 50 20 CBGD CC(C)NC(=S)NNC(=O)CCN1CCOCC1 1317701536 OVBDIEUEYHIMCR-UHFFFAOYSA-N 274.390 -0.388 50 20 CBGD CNC(=O)NNC(=O)C1CCN(C(=O)N2CCCC2)CC1 1318040155 AAEINQXQIVPEEI-UHFFFAOYSA-N 297.359 -0.126 50 20 CBGD CC(=O)NCCCCCC(=O)NNC(=O)N(C)C 1318042951 JAIWCWRTSROYKG-UHFFFAOYSA-N 258.322 -0.015 50 20 CBGD N#CCCCNC(=O)NNC(=O)C(=O)N1CCCC1 1320078483 OKLJESGNCMRMDO-UHFFFAOYSA-N 267.289 -0.757 50 20 CBGD Cc1cccnc1NNC(=O)CC[C@@H]1NC(=O)NC1=O 1320711952 UYJNKBRFWYHMDT-QMMMGPOBSA-N 277.284 -0.179 50 20 CBGD Cc1ncc(C(=O)NNC(=O)C(=O)NC2CC2)s1 1325006838 DUOJDMGBTXALBS-UHFFFAOYSA-N 268.298 -0.509 50 20 CBGD C[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)c1cnn(C)c1 1329735691 OLDHPYFKOFJXDG-SSDOTTSWSA-N 277.288 -0.152 50 20 CBGD CCCNC(=O)NNC(=O)C(=O)c1cccn1C 1330108811 BTXYUVKBEFCGGZ-UHFFFAOYSA-N 252.274 -0.052 50 20 CBGD CC(C)[C@@H]1C[C@@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 1334793893 BBFGFVZKQDWPSA-AXFHLTTASA-N 297.355 -0.136 50 20 CBGD COCC[C@H](NS(=O)(=O)CCCCl)C(N)=O 1336924205 TURMTOJCMAMIBI-ZETCQYMHSA-N 272.754 -0.575 50 20 CBGD NC(=O)C(=O)NN=Cc1ccc(N2CCCC2)nc1 1340275888 HZZSDBCJPRSHDQ-UHFFFAOYSA-N 261.285 -0.383 50 20 CBGD COCCN(C)NC(=O)c1c(C)nc(N)nc1C 1347057757 XQFYKIWLDCOEQE-UHFFFAOYSA-N 253.306 -0.101 50 20 CBGD CSCC[C@H](N)CC(=O)NNC(=O)NC1CC1 1579380476 POEIIPKZAWMTHD-ZETCQYMHSA-N 260.363 -0.050 50 20 CBGD NCCCSCCC(=O)NNC(=O)[C@H]1CCCO1 1580301001 KGYQVBVJFQQEKC-SECBINFHSA-N 275.374 -0.215 50 20 CBGD O=C(NNC(=O)c1ccccc1)C1=NO[C@@]2(CCNC2)C1 1580737352 PNDGSFZTTXIQDR-AWEZNQCLSA-N 288.307 -0.044 50 20 CBGD CCN(CCO)NC(=O)Cc1noc(C)c1-c1nn[nH]n1 1590714540 KLBMQUKQCQRSCB-UHFFFAOYSA-N 295.303 -0.949 50 20 CBGD O=C(O)CNC(=O)NN=C1CCCc2c[nH]nc21 1602071187 FYYCLGIDDMYNIN-UHFFFAOYSA-N 251.246 -0.166 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@](C)(C#N)CC(=O)O 1603479653 HMBCMIRZUFQTHA-YVZVNANGSA-N 283.284 -0.437 50 20 CBGD O=C(Cc1ccoc1)NNC(=O)N1CCOCC1 184288450 OVYITNGRZWGGLO-UHFFFAOYSA-N 253.258 -0.105 50 20 CBGD CN(C)S(=O)(=O)NNC(=O)CCc1ccccc1O 266063126 VMHBSPQUJSRDSU-UHFFFAOYSA-N 287.341 -0.248 50 20 CBGD COCCCNC(=O)NNC(=O)C(=O)C(C)(C)C 266888471 VPWQUHDWUGUSDE-UHFFFAOYSA-N 259.306 -0.032 50 20 CBGD CCN1CCO[C@H](C(=O)NNc2ncnc3[nH]cnc23)C1 376657325 HFWMRTRNGVHZEY-QMMMGPOBSA-N 291.315 -0.483 50 20 CBGD COC(=O)CNC(=O)NN=C1CCN(C(=O)OC)CC1 495090870 ZRASFENIGYOVCW-UHFFFAOYSA-N 286.288 -0.323 50 20 CBGD COC(=O)NNS(=O)(=O)c1cccc(CC(=O)O)c1 496708809 MOQZOHZIYQOTQE-UHFFFAOYSA-N 288.281 -0.137 50 20 CBGD CC(=O)N1CC[C@H](C(=O)Nc2cccc(B(O)O)c2)C1 584911090 HQMTZRUMMLQHBY-JTQLQIEISA-N 276.101 -0.827 50 20 CBGD CC[C@@H](NC(=O)c1ccc(B(O)O)cc1)c1noc(C)n1 584954381 HOMAWXMDMNLMDJ-LLVKDONJSA-N 289.100 -0.061 50 20 CBGD CC(C)N1CC(NC(=O)c2ccc(B(O)O)c(F)c2)C1 584973177 BLALONOMLZCACT-UHFFFAOYSA-N 280.108 -0.672 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H](n2cncn2)C1 584976086 JHLWUUCZECANOV-LBPRGKRZSA-N 286.100 -0.955 50 20 CBGD CN1CCC[C@@H]1CCNC(=O)c1ccc(B(O)O)c(F)c1 585007813 OHPOBQMPQRESPE-LLVKDONJSA-N 294.135 -0.280 50 20 CBGD COc1ccc(NCc2ccc(B(O)O)o2)c(OC)n1 585029010 AXCUPZSVDJGNCX-UHFFFAOYSA-N 278.073 -0.016 50 20 CBGD C[C@@H](O)C[C@@H](C)NCc1ccc(B(O)O)cc1F 585034774 LUHDXEKOUDNDOH-RKDXNWHRSA-N 255.098 -0.246 50 20 CBGD CCNC(=O)[C@@H](NCc1ccc(B(O)O)cc1)C(C)C 585043553 RAKGBGGQKMZLDP-ZDUSSCGKSA-N 278.161 -0.383 50 20 CBGD O=S(=O)(c1ccsc1)N1CC[C@H](B(O)O)C1 585055506 AHRULMCKOFFVLC-ZETCQYMHSA-N 261.133 -0.015 50 20 CBGD O=C1NC(=O)c2cc(C(=O)N3CC[C@H](B(O)O)C3)ccc21 585078917 PKESBCVTEUBDAF-QMMMGPOBSA-N 288.068 -0.741 50 20 CBGD CCOC(=O)/C(C#N)=C/NNC(=O)CN1CCCC1=O 730969077 DTZMQZMWRQUTPO-VQHVLOKHSA-N 280.284 -0.800 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)C[C@H](C)C(=O)OC 733870284 PXXSDTJJWJRLTD-IUCAKERBSA-N 273.333 -0.327 50 20 CBGD COCCCNC(=O)NNC(=O)CCCNC(=O)O 737763426 XBZMUAGLHZPPRC-UHFFFAOYSA-N 276.293 -0.599 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 746176616 OKERIGXDEIZEKK-SNVBAGLBSA-N 299.375 -0.865 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C1(C(N)=O)CCC1 747908421 PXAOCNKFKRZEAH-UHFFFAOYSA-N 265.273 -0.865 50 20 CBGD Cc1ccc(C(=O)NNC(=O)Cn2cccnc2=O)o1 752780710 AQHKAEQPNVUXDR-UHFFFAOYSA-N 276.252 -0.394 50 20 CBGD CC(=O)NCCNC(=O)NNC(=O)c1ccc(C)o1 752824922 YTKRUJBXJKVZIC-UHFFFAOYSA-N 268.273 -0.332 50 20 CBGD O=C(C[C@H]1CCCCO1)NNC(=O)C(=O)N1CCCC1 755267641 IRNDTMXPQLWOSN-SNVBAGLBSA-N 283.328 -0.285 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCc2nn[nH]c2C1 759550700 VGQFYHPOKKKVHD-VIFPVBQESA-N 294.359 -0.255 50 20 CBGD COc1nccnc1NNC(=O)c1ccc(=O)n(C)c1 764470349 YLSKLZYFMXWNQC-UHFFFAOYSA-N 275.268 -0.059 50 20 CBGD CN(C)C(=O)NNC(=O)CN(C)[C@@H]1CCSC1 766839876 BIYCZDCOZYWXEL-MRVPVSSYSA-N 260.363 -0.274 50 20 CBGD CCOC(=O)NNC(=O)Nc1cc(C)n(CC(=O)NC)n1 770081052 IFPKVDUWJAGJTF-UHFFFAOYSA-N 298.303 -0.280 50 20 CBGD CN1CCN(C(=O)NNC(=O)C[C@H]2CCCCO2)CC1 773672923 LUYRWMUDSXUSHL-LLVKDONJSA-N 284.360 -0.066 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 776596253 MKKRBTABRXTROG-SNVBAGLBSA-N 280.280 -0.255 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CCc2nnc(C)n2C1 798306583 MMNWHSAKBSIJAI-SECBINFHSA-N 294.384 -0.170 50 20 CBGD C=CCN1CC[C@@H](N(C)CC(=O)NNC(=O)C2CC2)C1=O 799176642 AKGOGGMEEJIMDV-LLVKDONJSA-N 294.355 -0.738 50 20 CBGD COCCCNC(=O)NNS(=O)(=O)C[C@H](C)OC 800833601 BCJSRRXYEMIKBT-QMMMGPOBSA-N 283.350 -0.809 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)N=c2cc[nH]cc2)C1 802035757 LAGZYUZEWZDPIT-UHFFFAOYSA-N 277.284 -0.866 50 20 CBGD CC(C)(O)C(=O)NNC(=O)C(F)(F)C1(O)CCCC1 803159546 NFNMDGHXADLOFG-UHFFFAOYSA-N 280.271 -0.155 50 20 CBGD C=CCNC(=O)CNC(=O)NNc1ncncc1F 814318823 IORBNNJADHJPJE-UHFFFAOYSA-N 268.252 -0.456 50 20 CBGD CCN1CC[C@H](NC(=O)NNc2ncncc2F)C1=O 814329854 BSYCRCFZDPUFFJ-QMMMGPOBSA-N 282.279 -0.137 50 20 CBGD CNC(=O)NCC(=O)NNc1cccc(F)c1C(=O)OC 819711416 VFHLHGOYKUZBOR-UHFFFAOYSA-N 298.274 -0.016 50 20 CBGD CCc1cc(C(=O)NNC(=O)c2cnn(C)c2)n(C)n1 820082718 JNXCPXJDHRCMPZ-UHFFFAOYSA-N 276.300 -0.209 50 20 CBGD C[C@H](CO)N(C)NC(=O)CC1(CS(C)(=O)=O)CC1 823951291 JKMWZOIZQSCWFO-SECBINFHSA-N 278.374 -0.455 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@H]1CCc2cncn2C1 824621192 KCEHNOJVDYWBJG-JTQLQIEISA-N 293.327 -0.482 50 20 CBGD COc1ccc(O)c(S(=O)(=O)NNC(=O)O)c1 833733559 KNJWIOXHWNNTQH-UHFFFAOYSA-N 262.243 -0.138 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCN(C)C1=O 843970294 DFIBZGOMNGUXLV-CIUDSAMLSA-N 269.301 -0.963 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnn(C)c1N 843970488 GSILAIXBHQXMAO-RNFRBKRXSA-N 267.289 -0.812 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCCn2ccnc21 848405173 BRFRGHIMAWVMKB-QMMMGPOBSA-N 299.356 -0.565 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H](NC(N)=O)C(C)(C)C 854921133 MEYFQPVGZNHOFG-ZCFIWIBFSA-N 275.378 -0.463 50 20 CBGD O=C(Cn1cncn1)NNC(=S)NCC1CCC1 855092075 OTBJXARDZDHGMH-UHFFFAOYSA-N 268.346 -0.427 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2n[nH]cc2C1)c1cc[nH]n1 855357998 XUHOFLJDQWTLBQ-SSDOTTSWSA-N 274.284 -0.301 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 857109553 MLNIMPFRBPUTON-GMTAPVOTSA-N 296.371 -0.610 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc(C3CC3)on2)N1 862452214 UMZAZNAWWWBISP-ZETCQYMHSA-N 278.268 -0.408 50 20 CBGD CCC[C@@H](OCC)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862464375 XQXVPVXHUBCWAL-DTWKUNHWSA-N 271.317 -0.382 50 20 CBGD Cn1ncc2c1C[C@@H](C(=O)NNC(=O)c1cn[nH]c1)CC2 862470251 LZOFYWUQLSHIOL-QMMMGPOBSA-N 288.311 -0.291 50 20 CBGD COCC1(C(=O)NNC(=O)c2cn[nH]c2)CCC1 862470573 QYHXVCLVCLLYJW-UHFFFAOYSA-N 252.274 -0.013 50 20 CBGD CC#CCCCC(=O)NNC(=O)CS(C)(=O)=O 863464351 DFUWPWVAWQFBHR-UHFFFAOYSA-N 260.315 -0.628 50 20 CBGD O=C(NOCCC(F)(F)F)c1cccc(B(O)O)c1 863880184 QDUILTIPMLWSLQ-UHFFFAOYSA-N 277.007 -0.020 50 20 CBGD N#CSCCCNC(=O)c1ccc(B(O)O)cc1 863880912 IRWWCPFKCVTWRH-UHFFFAOYSA-N 264.115 -0.299 50 20 CBGD CC(C)[C@@H](CN(C)C)NC(=O)c1ccc(B(O)O)cc1 865800781 SDPYRINWGQWRJJ-CYBMUJFWSA-N 278.161 -0.318 50 20 CBGD CCN(CC)C[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F 865807181 PEXHDARLHDRIHX-SNVBAGLBSA-N 296.151 -0.034 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)[C@@H]1CCCNC1=O 868028169 QGTQPSSEWZJYAQ-RXMQYKEDSA-N 282.222 -0.595 50 20 CBGD Cc1cc(N2CC[C@H](B(O)O)C2)n2nc(C)nc2n1 886912200 NOZSHBQJPRUVGV-VIFPVBQESA-N 261.094 -0.206 50 20 CBGD NC(=O)C(=O)NN=Cc1cccc2c1OCCCO2 917532034 LJBMALREOKEGMQ-UHFFFAOYSA-N 263.253 -0.217 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)C1(O)CCCC1 920435027 ASLXLKHWKLCEES-UHFFFAOYSA-N 269.301 -0.939 50 20 CBGD O=C(CO)NNC(=O)c1ccccc1N1CCCC1=O 1116554370 PSVUPQUAGLHVMM-UHFFFAOYSA-N 277.280 -0.433 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@]1(C)CCOC1 1116582176 CWGKJKORXORSLD-CYBMUJFWSA-N 285.344 -0.135 50 20 CBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)C1CCC1 1263730436 ZDBJBMHIIANFAF-MWLCHTKSSA-N 266.345 -0.678 50 20 CBGD NC(=O)C[C@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 1319338998 QVNFDDZGHNAWGC-SECBINFHSA-N 282.344 -0.869 50 20 CBGD CCOC(=O)NNC(=O)c1cnc(C(=O)OC)cn1 1319728382 DBXJBAYMJYIOND-UHFFFAOYSA-N 268.229 -0.346 50 20 CBGD C[C@@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1 1323496759 JXMUJVXQJYMCPS-VXNVDRBHSA-N 274.342 -0.385 50 20 CBGD Cc1nn(C)cc1S(=O)(=O)NNC(=O)c1ccc[nH]1 1324054571 XJSWHBSMJYISDG-UHFFFAOYSA-N 283.313 -0.320 50 20 CBGD COC(=O)C(=O)NN=Cc1ccc2c(c1)NC(=O)CO2 1324462798 RMAFIRWKFBOLSB-UHFFFAOYSA-N 277.236 -0.359 50 20 CBGD O=C(CCl)N1CCN(C(=O)N2CCOCC2)CC1 1324701964 ORKHOYISMOTUEU-UHFFFAOYSA-N 275.736 -0.178 50 20 CBGD CCNC(=O)N(C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1325581522 CEQHALRVGGDEDM-UHFFFAOYSA-N 297.271 -0.551 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](C)n1cnc(C#N)n1 1326362228 CYZUNMGBSICSQV-CIUDSAMLSA-N 292.299 -0.717 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cc(C)cc(CN)c1 1329124924 DWVLTPIYMYAWNC-UHFFFAOYSA-N 280.284 -0.221 50 20 CBGD CNC(=O)CCCCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1329546275 BMDSGTBOZJELSP-ZJUUUORDSA-N 285.344 -0.135 50 20 CBGD CC1(Cn2cc(C(=O)NNc3ccncn3)nn2)COC1 1334803614 QRPFXINJSZIPSR-UHFFFAOYSA-N 289.299 -0.139 50 20 CBGD Cc1cnc(COCC(=O)NNC(=O)CN(C)C)o1 1342333740 RKWYCSAOHXPPMJ-UHFFFAOYSA-N 270.289 -0.791 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H](C)[C@H]1CCC(=O)N1 1351591013 GZCKJYXNRHNQGF-RNFRBKRXSA-N 258.347 -0.632 50 20 CBGD Cc1nn(C)c(C)c1C(=O)C(=O)NN(C)[C@H](C)CO 1352230702 RFXATROBYVVFQP-SSDOTTSWSA-N 268.317 -0.437 50 20 CBGD CCCC[C@H](N)C(=O)NNc1nnc(C)c(O)n1 1577410660 UMQROUOEQHZBPZ-ZETCQYMHSA-N 254.294 -0.154 50 20 CBGD CCOC(=O)NNC(=O)[C@H]1CCCN(CC(=O)O)C1=O 1590884333 WIHAPQRHNIZPPI-SSDOTTSWSA-N 287.272 -0.913 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)C(=O)O)CC(F)(F)F 1592676765 XVZXDTXNESIPJA-SCSAIBSYSA-N 271.195 -0.010 50 20 CBGD C[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C[C@H]1C(=O)O 1594646498 YDKUQBNDUZKSCU-UTINFBMNSA-N 299.327 -0.195 50 20 CBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 1594755567 MRFCZXWWENJFDR-HTQZYQBOSA-N 295.299 -0.901 50 20 CBGD O=C(NNC(=O)c1cc(C(=O)O)n[nH]1)NC1CCCC1 1594782928 NZVSECQAKYXZGT-UHFFFAOYSA-N 281.272 -0.006 50 20 CBGD COC(=O)Cn1cccc1C=NNC(=O)NCC(=O)O 1598875199 WQIFIJLMUXMOGN-UHFFFAOYSA-N 282.256 -0.621 50 20 CBGD Cc1oc(C(=O)O)cc1C(=O)NNC(=O)c1cn(C)nn1 1600828025 ZFFATQOMNCVZIX-UHFFFAOYSA-N 293.239 -0.510 50 20 CBGD O=C(NNC(=O)c1ccc(C(=O)O)[nH]1)c1ncccn1 1601554688 FAOWRNLYEPGWAN-UHFFFAOYSA-N 275.224 -0.422 50 20 CBGD Cc1cc(C=NNC(=O)C(N)=O)ccc1-c1nn[nH]n1 1605653137 ZRJZCLGVZQXJFA-UHFFFAOYSA-N 273.256 -0.889 50 20 CBGD O=C(NNc1ccncn1)c1cccc(-c2nn[nH]n2)n1 1606862093 SBQRUMRHYPPKJS-UHFFFAOYSA-N 283.255 -0.191 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](C)CC(=O)O 1609731878 HJWMOKNPZQFVHY-GJMOJQLCSA-N 258.274 -0.330 50 20 CBGD CCOC(=O)NNC(=O)Nc1ccn(CC(=O)O)n1 1610019405 PZLPSFACEANERB-UHFFFAOYSA-N 271.233 -0.250 50 20 CBGD O=C(NC[C@H]1Cc2ccccc21)NNC(=O)C(=O)O 1610691052 STCPCSNOTOJDDD-MRVPVSSYSA-N 263.253 -0.259 50 20 CBGD CC(C)(NCC(=O)NNC(=O)c1ccccc1)C(=O)O 87625002 XZKROQDTXCBEOH-UHFFFAOYSA-N 279.296 -0.100 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)N1[C@@H](C)CC[C@H]1C 122921639 KXQNCJBLXAMHIF-AXFHLTTASA-N 298.387 -0.080 50 20 CBGD O=S(=O)(CCl)N1CCC(OCCO)CC1 132369103 REQQAOCVRLKJAW-UHFFFAOYSA-N 257.739 -0.014 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCn3cncc3C2)[nH]n1 153894800 VBHSDUHUQILRAR-VIFPVBQESA-N 288.311 -0.062 50 20 CBGD CCNC(=O)CCCC(=O)NNC(=O)NCCCOC 264745227 IBHZYZLPUMPZHB-UHFFFAOYSA-N 288.348 -0.340 50 20 CBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)Cc1ccncc1 266946696 FNOAYICDGYIRQF-VHSXEESVSA-N 277.280 -0.419 50 20 CBGD CS[C@H](C)C(=O)NNC(=O)CNC(=O)c1cccnc1 268677320 JSSYCSRFCCLQMX-MRVPVSSYSA-N 296.352 -0.290 50 20 CBGD CNC(=O)NNC(=O)CCNC(=O)c1ccc(C)cc1O 272618907 QFMVJRKVTTUEQB-UHFFFAOYSA-N 294.311 -0.219 50 20 CBGD CN(C)CC(=O)NNC(=O)CCC(=O)OC(C)(C)C 277552225 OLDDZNLIIAEHJU-UHFFFAOYSA-N 273.333 -0.183 50 20 CBGD C/C=C(/CC)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 290297561 SGEJBIASOUUSIY-BESBCXERSA-N 277.346 -0.572 50 20 CBGD C[C@H](CO)N(C)CC(=O)NNC(=O)c1ccc(F)cc1 298542894 NHPZBKJCKDOKFU-SECBINFHSA-N 283.303 -0.101 50 20 CBGD CS[C@@H](C)C(=O)NNC(=O)CNC(=O)c1ccco1 299667867 MPPPDIORVFMPDF-ZETCQYMHSA-N 285.325 -0.092 50 20 CBGD O=C(NC[C@H]1CN2CCC[C@H]2CO1)NNc1ncccn1 369047704 ONQZJCFTJNTQCT-QWRGUYRKSA-N 292.343 -0.034 50 20 CBGD COC(=O)Cn1cc(C(C)=NNC(=O)OC)nn1 493881076 WKCLHJPHBSZREY-UHFFFAOYSA-N 255.234 -0.469 50 20 CBGD CCNC(=O)NNC(=O)CCCNC(=O)OCC 493957173 TZSWTMGUKXVMKV-UHFFFAOYSA-N 260.294 -0.137 50 20 CBGD COC(=O)N[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)C(C)C 495271947 WDZPKAWCYQYZHX-JTQLQIEISA-N 297.315 -0.520 50 20 CBGD CO[C@]1(CNC(=O)c2ccc(B(O)O)c(F)c2)CCOC1 584973960 DGJKVNVJAGUGAV-ZDUSSCGKSA-N 297.091 -0.959 50 20 CBGD CC(C)(CNCc1ccc(B(O)O)o1)[C@@]1(O)CCOC1 585048478 QKYACMUNJVAYKQ-CYBMUJFWSA-N 283.133 -0.773 50 20 CBGD C[C@@H]1[C@H](NCc2ccc(B(O)O)cc2)CCS1(=O)=O 585049813 XKEWBEYJDHTFRT-BXKDBHETSA-N 283.158 -0.968 50 20 CBGD Cc1nc(C)c(C(=O)NNC(=O)N2CCOCC2)o1 746178165 JRAONJAPGVSMPN-UHFFFAOYSA-N 268.273 -0.022 50 20 CBGD C[C@@H](C(=O)NNC(=O)Cc1cccnc1)N(C)C 750612474 OEWGNXXESVLFSI-VIFPVBQESA-N 250.302 -0.278 50 20 CBGD CC(C)Oc1cccc(C(=O)NNC(=O)CO)n1 753445720 TUYWVQVLCXOZLT-UHFFFAOYSA-N 253.258 -0.378 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C 757799464 VWGCDDNXZNTEDT-ONGXEEELSA-N 284.360 -0.164 50 20 CBGD CNc1nnc(CC(=O)NNC(=O)NC2CC2)s1 759589701 GYQXDKIZDIIYAG-UHFFFAOYSA-N 270.318 -0.385 50 20 CBGD CCOC(=O)[C@@H]1CCC(=NNC(=O)C(N)=O)[C@H](C)C1 761250179 BFGARHAVNSWWHN-HTQZYQBOSA-N 269.301 -0.057 50 20 CBGD Cc1cc(F)cc(NC(=O)C(=O)NNC(=O)CO)c1 764429563 UAVNXQBJMJBYES-UHFFFAOYSA-N 269.232 -0.788 50 20 CBGD CCC(=O)N1CCC[C@H](C(=O)NNC(=O)C(C)(C)O)C1 768245008 QXPVVWRMSAOEGM-VIFPVBQESA-N 285.344 -0.447 50 20 CBGD C[C@@H](C(=O)NC(C)(C)C)N(C)CC(=O)NNC(=O)C1CC1 776857273 JOUVXSKRDZWXQG-VIFPVBQESA-N 298.387 -0.221 50 20 CBGD CCCNC(=O)NNC(=O)CC(=O)NCC(F)(F)F 779659074 LIWOULCPRHEORS-UHFFFAOYSA-N 284.238 -0.205 50 20 CBGD CN1CCN(CC(=O)NNC(=O)CC(C)(C)C)CC1=O 781919666 IVRWTXSAQKDWRL-UHFFFAOYSA-N 284.360 -0.656 50 20 CBGD COCCn1ccc(C(=O)NNC(=O)C2CC2)n1 784289796 JWXPGSLTGPQPSV-UHFFFAOYSA-N 252.274 -0.300 50 20 CBGD CN(C)C(=O)NNC(=O)C(C)(C)N1CCOCC1 801143787 UACNTMUTKUPOTK-UHFFFAOYSA-N 258.322 -0.600 50 20 CBGD CCOC1CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)C1 814835386 PNLFAMVCYWCNNK-JAVCKPHESA-N 277.346 -0.405 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCCN1c1ncccn1 823912400 FDSWBWMAOLAFFV-WDEREUQCSA-N 279.344 -0.211 50 20 CBGD COC(=O)[C@H]1C[C@H](NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1 824168044 VOYZHRSBEZSUCT-AATLWQCWSA-N 299.327 -0.307 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCc1cnn(C)c1 825721142 JYXTUFZWIBPGNV-KOLCDFICSA-N 295.343 -0.282 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1O[C@H]2C=C[C@H]1CC2 831514320 LGRXJVMTFPFXBZ-UWVGGRQHSA-N 277.060 -0.020 50 20 CBGD CCCNCCNC(=O)NNC(=O)[C@@H]1CCCCO1 841962117 WJNRRJBLACOQLA-JTQLQIEISA-N 272.349 -0.115 50 20 CBGD CCN(C)S(=O)(=O)NNC(=O)[C@@H]1CCO[C@H]1C 842593529 VTCQXCPXYUUARY-JGVFFNPUSA-N 265.335 -0.771 50 20 CBGD O=C(CCN1C(=O)CCNC1=S)NNC(=O)CC1CC1 848144545 WWBGGHITSRIVOF-UHFFFAOYSA-N 298.368 -0.569 50 20 CBGD CC(=NNC(=O)C(=O)NC1CC1)c1cncnc1C 848401555 BNRPYQZMMNAQQX-UHFFFAOYSA-N 261.285 -0.096 50 20 CBGD CO[C@@H](C)CNC(=O)NNC(=O)Cc1ccncc1 852531115 WXDBYAQREIRMDB-VIFPVBQESA-N 266.301 -0.011 50 20 CBGD Cn1nnc2c1C[C@H](C(=O)NNC(=O)c1cc[nH]n1)CC2 855355779 HKYDASKPDYPZBR-SSDOTTSWSA-N 289.299 -0.896 50 20 CBGD CN1CCC(CC(=O)NNC(=O)c2cc[nH]n2)CC1 855356674 PXLQDKKPGHOGKS-UHFFFAOYSA-N 265.317 -0.097 50 20 CBGD CN(CC(=O)NNC(=O)c1cccc(F)n1)C(=O)C1CC1 856423973 DVDQUSUGSJHRQE-UHFFFAOYSA-N 294.286 -0.150 50 20 CBGD Cn1nncc1NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 857271219 FMBYHPLGWHQYTD-ZETCQYMHSA-N 264.289 -0.731 50 20 CBGD CCn1nccc1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 860880110 RUHAWXCNSJMZDN-ZETCQYMHSA-N 280.288 -0.666 50 20 CBGD CCc1noc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 861143651 RCGFMQAJYCKLCV-RXMQYKEDSA-N 282.260 -0.937 50 20 CBGD C[C@@H](Oc1cccnc1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862453857 AESHHRTXRKKBLH-SCZZXKLOSA-N 292.295 -0.725 50 20 CBGD CCO[C@H](CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(C)C 862457163 BVPVNOQDOMNWGR-VHSXEESVSA-N 285.344 -0.136 50 20 CBGD CC(C)C[C@@H]1C[C@H]1C(=O)NNC(=O)CS(C)(=O)=O 863465979 NTPNQLPAPOAZBS-RKDXNWHRSA-N 276.358 -0.139 50 20 CBGD O=C(COc1ccc(B(O)O)cc1)C1CCOCC1 863865254 AWERRDDDFOCWCX-UHFFFAOYSA-N 264.086 -0.259 50 20 CBGD C[C@H]1COCCCN1C(=O)c1ccc(B(O)O)cc1 863876417 YLLVNMJJZXTMAP-JTQLQIEISA-N 263.102 -0.383 50 20 CBGD CN(CCNC(=O)c1cccc(B(O)O)c1)CC(F)F 863889677 DSXHWWQZGWOWCR-UHFFFAOYSA-N 286.087 -0.707 50 20 CBGD CCOC(=O)C1(CNCc2ccc(B(O)O)cc2)CC1 863891425 QBMSRVJYFNEBEG-UHFFFAOYSA-N 277.129 -0.201 50 20 CBGD O=C(CNC(=O)c1ccc(B(O)O)cc1)NC1CCCC1 865048797 CZTDXBZDASSZAS-UHFFFAOYSA-N 290.128 -0.845 50 20 CBGD COCCOCC(=O)NNC(=O)c1cnn(C(F)F)c1 869916408 YFPHSUBYDLZTDC-UHFFFAOYSA-N 292.242 -0.298 50 20 CBGD CO[C@]1(C(=O)NNC(=O)c2ccnnc2)CCSC1 898000185 MUAJKTYDDMDFAC-LLVKDONJSA-N 282.325 -0.240 50 20 CBGD COC[C@H](OC)C(=O)NNC(=S)NC(C)(C)C 899999797 XDYRITITMPXQNZ-ZETCQYMHSA-N 263.363 -0.058 50 20 CBGD CNC(=O)NNC(=O)C[C@H]1NC(=O)c2ccccc21 900353644 XRDUGGDCISASLY-SECBINFHSA-N 262.269 -0.179 50 20 CBGD CC1CCN(C(=O)C(=O)NN(C)C[C@@H](C)O)CC1 910158945 GJGSRENGSVCZLM-SNVBAGLBSA-N 257.334 -0.411 50 20 CBGD Cn1cccc1C(=O)NNC(=O)Cn1cccnc1=O 915191415 KRUNOTOGTLLKFT-UHFFFAOYSA-N 275.268 -0.957 50 20 CBGD CCCNC(=O)NNC(=O)CCN1C(=O)CCC1=O 921042160 CSDXSGXDXAOWJT-UHFFFAOYSA-N 270.289 -0.734 50 20 CBGD O=C(NN=Cc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1115818652 OGFALIQIJZLEID-SNVBAGLBSA-N 267.310 -0.034 50 20 CBGD COC(=O)N(C)NC(=O)C1CCN(S(C)(=O)=O)CC1 1117183415 BTJKSXQIBSVPAG-UHFFFAOYSA-N 293.345 -0.613 50 20 CBGD CNC(=S)N(C)NC(=O)c1coc(S(N)(=O)=O)c1 1118770530 OFMQJDLZKLHKAX-UHFFFAOYSA-N 292.342 -0.992 50 20 CBGD CN(C)S(=O)(=O)c1ccc(N2CC[C@H](B(O)O)C2)nc1 1118975607 QDCOAKWRYUFMOG-VIFPVBQESA-N 299.161 -0.615 50 20 CBGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNc1cccnn1 1254590303 CYBGOFDGIYDJOX-UHFFFAOYSA-N 299.294 -0.193 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1Cc2ccccc2O1 1325483507 CGWNGYSGQRPDEH-VIFPVBQESA-N 293.279 -0.507 50 20 CBGD COCCOCCNC(=O)NNC(=O)C1CCOCC1 1331288957 IXYFEJZXXDAKRX-UHFFFAOYSA-N 289.332 -0.594 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CCC(F)(F)C2)N1 1331805956 LNUHGHRBTKWSET-RNFRBKRXSA-N 275.255 -0.152 50 20 CBGD C[C@H]1COC[C@H]1NC(=O)NNC(=O)C1CCOCC1 1332433641 IMNAICAZDYZSTH-WCBMZHEXSA-N 271.317 -0.222 50 20 CBGD C[C@H](N)[C@H](C)NC(=O)NNC(=O)c1cnsn1 1576104739 HKYFHSHJCOIRCO-WHFBIAKZSA-N 258.307 -0.782 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1F 1591003424 JFOOVEVXFLMGIH-UHFFFAOYSA-N 293.262 -0.078 50 20 CBGD CNC(=O)NNS(=O)(=O)c1c(C)oc(C)c1C(=O)O 1598650864 PLKWEWMATULQNO-UHFFFAOYSA-N 291.285 -0.283 50 20 CBGD COC(=O)CC(=O)NNc1ccc(C(=O)O)cn1 1598830616 DGSCDRBAWKABIV-UHFFFAOYSA-N 253.214 -0.214 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCN2CCC[C@@H]2C1 1601553071 SQDYFAKXDQHTGZ-HTQZYQBOSA-N 270.289 -0.972 50 20 CBGD CCOCc1nc(C)cc(NNC(=O)COCC(=O)O)n1 1605645255 GBIARLHRAQKJOB-UHFFFAOYSA-N 298.299 -0.134 50 20 CBGD CS(=O)(=O)CC(=O)NNc1ccccc1C(=O)O 1607366480 KRGIPKLSIYJWJN-UHFFFAOYSA-N 272.282 -0.128 50 20 CBGD NC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ccccc1C(=O)O 1608240614 QKRMZNPFLJZWFY-SFYZADRCSA-N 263.253 -0.051 50 20 CBGD CN(C)CC(=O)NN=Cc1cccn1CC(=O)O 1610099846 UFRQNLQHAKPIPY-UHFFFAOYSA-N 252.274 -0.416 50 20 CBGD O=C(C(O)O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1 1843361392 DELKQTNKYVHKHP-ZCFIWIBFSA-N 280.683 -0.965 50 20 CBGD COCCNC(=S)NNC(=O)Cc1cc(C)n[nH]1 17514167 XOICDWVEDOQJBC-UHFFFAOYSA-N 271.346 -0.598 50 20 CBGD CO[C@H](C)C(=O)NNC(=O)Cn1nc(C)cc1C 78945696 FZLJFKIBKFRTQK-SECBINFHSA-N 254.290 -0.318 50 20 CBGD CC(=O)NCCNS(=O)(=O)CBr 126637859 NEJFVILUKSVHCJ-UHFFFAOYSA-N 259.125 -0.606 50 20 CBGD CNC(=O)NNC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 299264642 VRJOPGYAHBPJIZ-XHNCKOQMSA-N 296.327 -0.490 50 20 CBGD CC(C)(C)NC(=O)NC(=O)COc1ccc(B(O)O)cc1 584909982 UUMGBWVCIVVTPI-UHFFFAOYSA-N 294.116 -0.631 50 20 CBGD Cc1noc([C@@H](C)NC(=O)c2cccc(B(O)O)c2)n1 584938047 VHAIYTASZANHNP-SSDOTTSWSA-N 275.073 -0.451 50 20 CBGD O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)c1cccc(B(O)O)c1 584978803 DGIORJYUPSBPRJ-JHJVBQTASA-N 275.113 -0.336 50 20 CBGD COCC[C@@H](C)CNC(=O)c1cc(B(O)O)ccc1F 585001908 HUGPQKHDUJGUFR-SECBINFHSA-N 283.108 -0.092 50 20 CBGD COCCN(C)CCCNCc1ccccc1B(O)O 585018111 QGVHDJKRVKUWCX-UHFFFAOYSA-N 280.177 -0.576 50 20 CBGD C[C@@H](NCc1cccc(B(O)O)c1)[C@@H](C)n1cncn1 585020518 ZRHIUQDIIVFWDY-GHMZBOCLSA-N 274.133 -0.303 50 20 CBGD OCC[C@]1(CNCc2ccc(B(O)O)cc2F)CCOC1 585031163 SMDZACXPYNGSMW-CQSZACIVSA-N 297.135 -0.616 50 20 CBGD O=S1(=O)CCCC[C@H]1CNCc1ccccc1B(O)O 585035515 VLJPLLDZFBRJMR-LBPRGKRZSA-N 297.185 -0.577 50 20 CBGD O=c1ccc2cc(S(=O)(=O)NCB(O)O)ccc2o1 585053793 CSDTYACWXAJVMW-UHFFFAOYSA-N 283.070 -0.917 50 20 CBGD C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)NCB(O)O 585057355 CQAYXKJUSKOFAT-QROSGCPLSA-N 276.101 -0.667 50 20 CBGD Nc1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1[N+](=O)[O-] 585071455 SVTJVRVVAQSMTK-QMMMGPOBSA-N 279.061 -0.134 50 20 CBGD O=C(Cc1ccccc1)NCC(=O)N1CC[C@H](B(O)O)C1 585074159 JDDLZPJUOSEBOF-LBPRGKRZSA-N 290.128 -0.579 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])[nH]2)cn1 735472723 AWECYQIHOFTYCO-UHFFFAOYSA-N 278.228 -0.269 50 20 CBGD O=C(NCc1ccco1)NNC(=O)[C@@H]1C[C@@H]1C(=O)O 739447515 HYFCRJBCJZRWBL-SFYZADRCSA-N 267.241 -0.169 50 20 CBGD CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NNC(=O)CO 753451260 CIBWTRNBSCULHR-VIFPVBQESA-N 288.348 -0.752 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1csc2cncn12 768256476 QJSJWBMCDMDSIY-UHFFFAOYSA-N 268.298 -0.072 50 20 CBGD CSCCNC(=S)NNC(=O)c1cn(C)cn1 770247442 MFJHPKVZNLGPKF-UHFFFAOYSA-N 273.387 -0.108 50 20 CBGD CNC(=O)C(=O)NN=c1sc2ccccc2n1C 789694333 RWLITMXVTMPIOE-UHFFFAOYSA-N 264.310 -0.082 50 20 CBGD COC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)C(C)(C)O)CC1 797999956 ZDWAQMRDIBNKHR-KYZUINATSA-N 286.328 -0.116 50 20 CBGD Cn1nncc1C(=O)NNC(=O)Cc1ccccc1F 798432288 HOUPZXLRNNAPPH-UHFFFAOYSA-N 277.259 -0.042 50 20 CBGD CCN([C@@H]1CCNC1=O)S(=O)(=O)CBr 799828011 RLJMEFRBCDWJPC-ZCFIWIBFSA-N 285.163 -0.121 50 20 CBGD O=C(NCCC1(O)CCC1)NNC(=O)C(=O)N1CCCC1 807263383 BAQJOWKPRNKRNB-UHFFFAOYSA-N 298.343 -0.756 50 20 CBGD C[C@](O)(C(=O)NNC(=O)C(=O)N1CCCC1)C1CCC1 813428742 FCQQOIPOMZJZRP-CYBMUJFWSA-N 283.328 -0.693 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CCCCN(C)C1=O 821783454 LNFHFRYKGBVHBW-SECBINFHSA-N 270.333 -0.063 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CN(C)C(=O)[C@H](C)n1cccn1 823969967 AKJCZKDTOWRJAB-QWRGUYRKSA-N 297.359 -0.754 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)[C@@H]1CCCCO1)N(C)C 836624126 ZALWOHUMBKOEIL-UWVGGRQHSA-N 272.349 -0.164 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccncn1 843655985 LQZGPXOACUMTNE-HTQZYQBOSA-N 250.258 -0.337 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(OC)CC1 846980979 ZUDBWZWQGOCJLE-SECBINFHSA-N 258.322 -0.889 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)N[C@H]1CCNC1 851672486 OVCUXYZNHLXVGY-NSHDSACASA-N 292.339 -0.070 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 854920914 WDVCUQYIMKVGMK-HTQZYQBOSA-N 272.374 -0.255 50 20 CBGD O=C(CNCC(F)(F)F)NNC(=O)c1cc[nH]n1 855358288 FBWRVRADDUBFAI-UHFFFAOYSA-N 265.195 -0.677 50 20 CBGD CC(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)n(C)c1 862452519 XWFDRMJWOGGIFS-VIFPVBQESA-N 292.295 -0.733 50 20 CBGD C[C@@H]1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 862460001 CULQLYDMDVGKFJ-HLTSFMKQSA-N 253.302 -0.151 50 20 CBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1nccnc1C 863153384 SUANYPCBERPHIC-SECBINFHSA-N 261.285 -0.096 50 20 CBGD CCCn1nccc1C=NNC(=O)CS(C)(=O)=O 863183582 HLUPVMOHWCVHDV-UHFFFAOYSA-N 272.330 -0.212 50 20 CBGD O=C1CC[C@H](C(=O)NNS(=O)(=O)CCC2CC2)N1 863412401 JYJGDHKZHCLTSD-MRVPVSSYSA-N 275.330 -0.984 50 20 CBGD COC(=O)CC(C)(C)NC(=O)c1ccc(B(O)O)cc1 863880283 UKGBUPVUBVHDDX-UHFFFAOYSA-N 279.101 -0.562 50 20 CBGD CCOC(=O)CCN(C)C(=O)c1cccc(B(O)O)c1 863885566 KTEWNCUVBBFHLS-UHFFFAOYSA-N 279.101 -0.608 50 20 CBGD CCN(CC)C[C@H](C)NC(=O)c1cccc(B(O)O)c1 865807918 ZSZZQXZZYHRGKJ-NSHDSACASA-N 278.161 -0.174 50 20 CBGD CN1C(=O)CS/C1=C/C(=O)NNC(=O)C1CC1 873750898 LRTNWSBVPIZHMU-RUDMXATFSA-N 255.299 -0.410 50 20 CBGD C[C@H]1CCCN(C(=O)C(=O)NNC(=O)C2CCOCC2)C1 883068340 QHQADODTOQKZQV-JTQLQIEISA-N 297.355 -0.181 50 20 CBGD COC(OC)C(=O)NNc1nccc(N2CCOCC2)n1 896995566 MKPNQLHUYWPRSQ-UHFFFAOYSA-N 297.315 -0.625 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCCN1C 898080130 CEQZNPLODNJIHA-KXUCPTDWSA-N 255.318 -0.347 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)NC2CCCCC2)C1=O 899940256 ISSZJLFLZQVOPI-SNVBAGLBSA-N 298.343 -0.493 50 20 CBGD C=CC(=O)N(CC)CC(=O)NNC(=O)NC1CC1 900383500 UHZGZUPKKNYEOE-UHFFFAOYSA-N 254.290 -0.486 50 20 CBGD CC(C)NC(=O)NNC(=O)c1ccnn1CCN(C)C 900416935 JTCUJHHYZCOMDC-UHFFFAOYSA-N 282.348 -0.203 50 20 CBGD CN1CCN(C)CC(C(=O)NNC(=O)C2CCCC2)C1 906085422 PGZBQHZOPRJOKZ-UHFFFAOYSA-N 282.388 -0.183 50 20 CBGD C[C@@H](C(=O)NNC(=O)CN1CCCC1=O)C1CC1 913731764 VIULVDRIJXZTRX-MRVPVSSYSA-N 253.302 -0.198 50 20 CBGD COc1cc2c(cc1C=NNC(=O)C(N)=O)O[C@H](C)C2 916541495 YFSSFDBYTOXBKW-SSDOTTSWSA-N 277.280 -0.046 50 20 CBGD CCCNC(=O)NNC(=O)CCCN1C(=O)CCC1=O 921038302 QESSQBOMVZNOJQ-UHFFFAOYSA-N 284.316 -0.344 50 20 CBGD O=C(C[C@H]1CC(=O)NC1=O)NCC(Cl)Cl 935968909 XPKWGSCNULDVQV-BYPYZUCNSA-N 253.085 -0.041 50 20 CBGD O=C(C[C@@H]1CCCOC1)NNC(=O)C(=O)N1CCCC1 1116873852 LTMWZFLGIVBKJX-JTQLQIEISA-N 283.328 -0.427 50 20 CBGD CS(=O)(=O)CC(=O)NN=C1CCCc2nc(O)ccc21 1118892906 PKSJYZRTPXIWBS-UHFFFAOYSA-N 297.336 -0.012 50 20 CBGD CCO[C@H]1COCC[C@H]1NC(=O)NNC(=O)c1cn[nH]c1 1261790805 VVKAZORBVKFOIQ-ZJUUUORDSA-N 297.315 -0.452 50 20 CBGD COCC(=O)NCCC(=O)NNC(=O)CC(C)C 1317995652 PSZRVGJSOXRFOL-UHFFFAOYSA-N 259.306 -0.667 50 20 CBGD Cn1cnc(C(=O)NNc2ncccc2[N+](=O)[O-])n1 1323954538 NUFHVIDGJACWMK-UHFFFAOYSA-N 263.217 -0.125 50 20 CBGD COC[C@H](CNC(=O)NNC(=O)c1cnn(C)c1)OC 1325096868 RLKYYVBOERKXJM-VIFPVBQESA-N 285.304 -0.975 50 20 CBGD O=C(c1ccccc1-n1cnnn1)N1CC[C@@H](B(O)O)C1 1330260803 BADLPENTJRTLCB-SECBINFHSA-N 287.088 -0.649 50 20 CBGD Cn1nnc2cc(C(=O)NNc3cccnn3)cnc21 1342390722 RSOTUGYMUUEURZ-UHFFFAOYSA-N 270.256 -0.090 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCc2ccc(O)cc21 1350553612 TXTRGVNXTHNEPF-SNVBAGLBSA-N 293.279 -0.117 50 20 CBGD CN1C(=O)CCC[C@@H]1C(=O)N1CC[C@H](B(O)O)C1 1353926857 VWOMBSQOWUYPMA-DTWKUNHWSA-N 254.095 -0.927 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CC[C@H]1C(=O)O 1573336975 IHHFBFFAJGFXBM-NKWVEPMBSA-N 257.315 -0.222 50 20 CBGD CC(C)[C@@H](N)C(=O)NCCC(=O)NN=c1cc[nH]cc1 1575441570 FQOLLYZNWBHXNG-GFCCVEGCSA-N 279.344 -0.564 50 20 CBGD O=C(NNC(=O)[C@@H]1NCC[C@@H]2CCCC[C@@H]21)c1cnn[nH]1 1580736530 WHMZXTGQNYGDMA-ATZCPNFKSA-N 292.343 -0.266 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)C(C)(C)C(=O)O)n1 1594298614 VQCNWIWLQUDMEF-UHFFFAOYSA-N 282.300 -0.242 50 20 CBGD CO[C@@H](CNC(=O)NNC(=O)C(=O)O)C1CCCCC1 1599050083 REIKJCDMIACELI-VIFPVBQESA-N 287.316 -0.003 50 20 CBGD O=C(NCc1ccco1)NNC(=O)C1(C(=O)O)CC1 1601544339 XFBGBTLRWROPEA-UHFFFAOYSA-N 267.241 -0.025 50 20 CBGD C[C@H](COCC(F)(F)F)NC(=O)NNC(=O)C(=O)O 1604201706 AWDWOHXDUQDLKS-SCSAIBSYSA-N 287.194 -0.631 50 20 CBGD Cn1nc(C(=O)O)cc1C=NNC(=O)C(C)(C)O 1776054941 IBEUIBXMMMRKTP-UHFFFAOYSA-N 254.246 -0.661 50 20 CBGD Cc1nc(C)c(C(=O)NNC(=O)C(=O)NC2CC2)s1 48422225 NAOJLKFFEGCJHR-UHFFFAOYSA-N 282.325 -0.200 50 20 CBGD CCCNC(=O)NNC(=O)Cn1cc([N+](=O)[O-])nc1C 49428017 PNCQWXTWQULOII-UHFFFAOYSA-N 284.276 -0.160 50 20 CBGD CCCOCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 68500534 FQZZLGSIPIQSKT-SNVBAGLBSA-N 278.374 -0.095 50 20 CBGD CN(C)CC(=O)NNC(=O)CN(C)c1ccccc1 113427692 WHIIMAOPOHSOIQ-UHFFFAOYSA-N 264.329 -0.168 50 20 CBGD O=S1(=O)C[C@@H](Br)[C@H](OC2COC2)C1 165691065 ABMHVCMPENWDBI-RNFRBKRXSA-N 271.132 -0.038 50 20 CBGD Cc1cc(C(=O)NNC(=O)CSc2nc(C)n[nH]2)[nH]n1 268990470 DOIJYTUTNJCGRF-UHFFFAOYSA-N 295.328 -0.302 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@@H]2CC(=O)N(C)C2)nc1 270363181 JOSCFCSQDKWGMQ-SECBINFHSA-N 292.295 -0.210 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H](CC)C(=O)OC 281388766 XTDHBPFGSZDHAO-SSDOTTSWSA-N 259.331 -0.133 50 20 CBGD CN(C)C(=O)CNC(=O)NNc1ncccc1F 286473325 ITZPSMRDIMOUOO-UHFFFAOYSA-N 255.253 -0.065 50 20 CBGD COC(=O)CNC(=O)NNS(=O)(=O)C1=CCCCC1 295180768 IPPAWOLWBFUHCU-UHFFFAOYSA-N 291.329 -0.249 50 20 CBGD CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)N1CCOCC1 299363150 JCZCAIJPAMZNCU-SNVBAGLBSA-N 284.316 -0.930 50 20 CBGD CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)c1cccc(B(O)O)c1 584950928 NUVKXJJGNNZJCG-UPJWGTAASA-N 289.140 -0.090 50 20 CBGD CCc1nc([C@@H](C)NC(=O)c2ccc(B(O)O)cc2)n[nH]1 584969602 WLASMEVWPMRWJS-MRVPVSSYSA-N 288.116 -0.462 50 20 CBGD C[C@@H]1C[C@H](NC(=O)c2ccc(B(O)O)cc2)CCO1 584970079 SDLYUAYXUDRPOM-BXKDBHETSA-N 263.102 -0.336 50 20 CBGD CN(C)C[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584972019 KUCVBFJTGVOAMA-SNVBAGLBSA-N 294.135 -0.471 50 20 CBGD COCCOCCN(C)C(=O)c1cccc(B(O)O)c1 584993356 QOKHGIVPKQQEES-UHFFFAOYSA-N 281.117 -0.899 50 20 CBGD OB(O)c1ccc(CNC2CCN(C3CC3)CC2)o1 585015249 UMXRMMRZGVMGQN-UHFFFAOYSA-N 264.134 -0.324 50 20 CBGD C[C@@H](CN1CCOCC1)NCc1ccc(B(O)O)cc1F 585016075 RAYNCRQCQSJYRS-NSHDSACASA-N 296.151 -0.684 50 20 CBGD Cc1ccc([C@@](C)(O)CNCc2ccc(B(O)O)o2)o1 585029770 UEFXQNIDYITEEY-ZDUSSCGKSA-N 279.101 -0.142 50 20 CBGD C[C@@H]1O[C@H](C)[C@@H](NCc2ccc(B(O)O)o2)[C@@H]1C 585048940 HGYNKQNOFIAWFH-SREGZZRCSA-N 253.107 -0.139 50 20 CBGD C[C@@]1(c2nc(-c3cccc(B(O)O)c3)no2)CNC(=O)C1 585052933 BLHAABLWEJROBE-ZDUSSCGKSA-N 287.084 -0.806 50 20 CBGD COC[C@@](C)(O)c1nc(-c2ccc(B(O)O)cc2)no1 585055331 WZWDSZHPFSWISU-GFCCVEGCSA-N 278.073 -0.730 50 20 CBGD O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCB(O)O 585056404 VDMPQYVPSXIMKO-UHFFFAOYSA-N 294.481 -0.462 50 20 CBGD COc1ccc(Cl)c(S(=O)(=O)NCB(O)O)c1 585056501 WJUFMNSVXNJZNP-UHFFFAOYSA-N 279.510 -0.361 50 20 CBGD CCCCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729275351 NVZGRZPERPDANA-ZETCQYMHSA-N 265.335 -0.738 50 20 CBGD Cn1cc(C(=O)NN[C@H](C(N)=O)c2ccccc2)cn1 735506687 JWRHWGCUYHLSSE-NSHDSACASA-N 273.296 -0.119 50 20 CBGD N#CC1(C(=O)NNC(=O)CNC(=O)c2ccco2)CCC1 736010346 DPWUSFJPPMGZMT-UHFFFAOYSA-N 290.279 -0.149 50 20 CBGD CN(CC1CC1)S(=O)(=O)NNC(=O)c1ccccn1 737750645 HECDZLVONHYRJD-UHFFFAOYSA-N 284.341 -0.097 50 20 CBGD CC[C@H](COC)NC(=O)NNC(=O)C(=O)NC1CC1 739050216 UAXPQLGXHQCYJF-SSDOTTSWSA-N 272.305 -0.980 50 20 CBGD C#CCSCCNC(=O)NNC(=O)COCC 740487611 BPBDKMZMWCJBSO-UHFFFAOYSA-N 259.331 -0.280 50 20 CBGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CO 753437316 IDSGKFNEZPGWAQ-ZETCQYMHSA-N 256.233 -0.267 50 20 CBGD O=C(CO)NNC(=O)c1csc([C@@H]2CCCO2)n1 753439937 NTDOQVCBGPVSDL-ZETCQYMHSA-N 271.298 -0.252 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H](O)c1cccnc1 768245816 YPWHMALFACLLGI-QMMMGPOBSA-N 253.258 -0.967 50 20 CBGD CO[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)C(=O)NC1CC1 775457965 JXQRGTUKZCYXDG-SCZZXKLOSA-N 298.343 -0.590 50 20 CBGD C[C@H](CC(=O)NNC(=O)CO)NC(=O)C1CCCC1 777782652 IYWLMANKZOCISK-MRVPVSSYSA-N 271.317 -0.789 50 20 CBGD C[C@@H]1CCN(S(=O)(=O)NNC(=O)C2CCC2)C1 777931913 AIBLDMYXYVXVTE-MRVPVSSYSA-N 261.347 -0.006 50 20 CBGD CN(NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(N)=O 782124693 PZWUPTDGIAYQIP-UHFFFAOYSA-N 254.202 -0.044 50 20 CBGD Cc1cccc(OCC(=O)NNC(=O)c2cnn(C)n2)c1 785684581 OSPSGWDBNYCPRU-UHFFFAOYSA-N 289.295 -0.036 50 20 CBGD NC(=O)c1ccc(NNC(=O)c2cccc(O)c2O)nn1 790875209 DOXXLROCWZJOAG-UHFFFAOYSA-N 289.251 -0.256 50 20 CBGD COC(=O)[C@H](NCC(=O)NNC(=O)C(C)(C)C)C1CC1 794566535 JIBQHBCZEFUNOG-SNVBAGLBSA-N 285.344 -0.279 50 20 CBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNc1ncccc1F 813601430 UFABOQPUGBBRAA-VIFPVBQESA-N 284.291 -0.203 50 20 CBGD CN1CCCC[C@H](C(=O)NNC(=O)C(C)(C)O)C1=O 822317039 MUNNKBFAUIFBPS-MRVPVSSYSA-N 271.317 -0.837 50 20 CBGD C[C@]1(C(=O)NNC(=O)NCC(F)(F)F)CCNC1=O 822671910 RFPALZVZNSFMDC-QMMMGPOBSA-N 282.222 -0.595 50 20 CBGD CNC(=O)c1ccc(C(=O)NN(C)[C@@H](C)CO)cn1 823959860 QZWCWEDCWGVWJR-QMMMGPOBSA-N 266.301 -0.601 50 20 CBGD CN1C(=O)CC[C@@H]1CC(=O)NNC(=O)N1CCOCC1 824621762 WTWVSUHGEROWNM-SECBINFHSA-N 284.316 -0.930 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 825476410 JILKJWBOEPWQDF-UHFFFAOYSA-N 264.249 -0.841 50 20 CBGD COCCOCCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 825769772 DGYQWUMNNKOKHD-ZJUUUORDSA-N 289.332 -0.595 50 20 CBGD CC(C)C(=O)NNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 827315738 VCJAXCNHLPXCNX-SFYZADRCSA-N 272.305 -0.571 50 20 CBGD O=C(NNS(=O)(=O)C[C@H]1CCCO1)[C@H]1CCCCO1 830034313 PEOMFBQMNRTZGK-NXEZZACHSA-N 292.357 -0.315 50 20 CBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNc1ccccn1 831755431 FVNTYLWGESNTRL-QMMMGPOBSA-N 272.330 -0.148 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)N1CCCC1 842592866 PTGUEJBNUCISCC-IUCAKERBSA-N 277.346 -0.627 50 20 CBGD CNC(=O)NNC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1 847383347 GHSJRDPYMRKZBK-AWEZNQCLSA-N 290.323 -0.205 50 20 CBGD Cc1cccc(OCC(=O)NNC(=O)[C@@H]2CCNC2=O)c1 854188930 MUXYYHUIHZKKMF-LLVKDONJSA-N 291.307 -0.343 50 20 CBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CC(=O)N1 854218048 RZVJFYRSLYBIJX-APPZFPTMSA-N 295.270 -0.371 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@@H]2CC=CCC2)N1 858697294 OWJAPZOUWLFTNC-NXEZZACHSA-N 280.328 -0.048 50 20 CBGD CO[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 862452024 SADJZGQRGKUDDG-JQWIXIFHSA-N 291.307 -0.200 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(O)c1 862457123 BDAVNWLKESMJHY-VIFPVBQESA-N 277.280 -0.260 50 20 CBGD C#Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862461610 KQOJGMKYKBTBEY-LBPRGKRZSA-N 285.303 -0.364 50 20 CBGD Cc1cccc(OCC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 863972302 WCAVQEKGVIUNCF-LLVKDONJSA-N 291.307 -0.200 50 20 CBGD CN1CCC[C@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)C1=O 875810014 RMPUAAOACXFACG-UWVGGRQHSA-N 298.343 -0.493 50 20 CBGD C[C@]1(C(=O)Nn2c(O)nnc2O)C[C@H]1Br 908371992 LIQXPEDPRPKLNT-NFNCENRGSA-N 277.078 -0.067 50 20 CBGD Cc1nn(C)c(C)c1OCC(=O)NN(C)C[C@H](C)O 910165425 IOOJZLZDEFMJEY-QMMMGPOBSA-N 270.333 -0.240 50 20 CBGD CC1=C(C(=O)NN(C)C[C@H](C)O)C(=O)OC1(C)C 910167233 FMFUVTAPPSUVGH-ZETCQYMHSA-N 256.302 -0.018 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccc(Cl)nc1 919750167 BJOGDXPKMTXQJV-UHFFFAOYSA-N 291.716 -0.459 50 20 CBGD Cc1c(CCC(=O)NNc2nccn(C)c2=O)cnn1C 1116393761 VEHZIPQKIUHBDM-UHFFFAOYSA-N 290.327 -0.102 50 20 CBGD CC(C)c1cc(NC(=O)C(=O)NNC(=O)CN(C)C)no1 1116597646 NDBHANWJNCZPHW-UHFFFAOYSA-N 297.315 -0.555 50 20 CBGD CS(=O)(=O)CC(=O)NN=Cc1cnc2n1CCC2 1118953099 MQKIQSMGKVBFCA-UHFFFAOYSA-N 270.314 -0.676 50 20 CBGD CC(C)NC(=O)CCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1118971163 UXZVYCKCKAIDJF-VIFPVBQESA-N 298.343 -0.893 50 20 CBGD CCCN1CC[C@@H](NC(=O)NNC(=O)c2cccnn2)C1 1119349286 GURROENNPGSRFY-SNVBAGLBSA-N 292.343 -0.095 50 20 CBGD C[C@H]1CCOCCN1C(=O)NNC(=O)c1cccnn1 1122107123 YPICTDPTAXVKPO-VIFPVBQESA-N 279.300 -0.058 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@@H]1CCC(=O)[C@@H]1C 1256324963 RRYTUKKZENBIOB-BDAKNGLRSA-N 283.328 -0.336 50 20 CBGD O=C(NNC(=O)c1cccc(Cl)n1)C(=O)NC1CC1 1318244869 FMDDBNVNMMBSAN-UHFFFAOYSA-N 282.687 -0.225 50 20 CBGD Cc1ncc(NC(=O)C(=O)NNC(=O)CC(C)C)cn1 1320348787 CVPONOUOUUPEKK-UHFFFAOYSA-N 279.300 -0.083 50 20 CBGD COCC[C@H](NS(=O)(=O)CBr)C(N)=O 1323223684 GHYQBLQRVYBDEC-YFKPBYRVSA-N 289.151 -0.851 50 20 CBGD CO[C@@H]1Cc2ccc(NC(=O)C(=O)NNC(C)=O)cc2C1 1337961726 WQARLSKXQWOTCF-GFCCVEGCSA-N 291.307 -0.094 50 20 CBGD Cn1nccc1NC(=O)C(=O)NNC(=O)C1CCCC1 1337973447 COLVIKRMSZRNSG-UHFFFAOYSA-N 279.300 -0.304 50 20 CBGD O=C1C[C@@H](C(=O)NNC(=O)Cc2cccnc2)CCN1 1340379684 VHAJPLPRDGPLDA-JTQLQIEISA-N 276.296 -0.702 50 20 CBGD C[C@@H]1CCN[C@H](C(=O)NNC(=O)c2ncon2)C1 1576745851 WMHKLWVHZZSYJZ-RQJHMYQMSA-N 253.262 -0.781 50 20 CBGD C[C@@]1(C(=O)NCC(=O)NCC(=O)O)C[C@H]1Br 1593749297 LEUDYPDZRZKXPC-MLUIRONXSA-N 293.117 -0.523 50 20 CBGD C[C@]1(CNC(=O)NNC(=O)C(=O)O)CC1(F)F 1594020241 QHUSFNISTZXTQP-SSDOTTSWSA-N 251.189 -0.553 50 20 CBGD CN(CCNC(=O)/C(C#N)=C\c1cnn(C)c1)CC(=O)O 1598488529 BYXQJEPHLSJVQK-WZUFQYTHSA-N 291.311 -0.540 50 20 CBGD O=C(O)C(=O)NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 1601635733 JSCSQHAMFDKYDP-LYFYHCNISA-N 257.315 -0.245 50 20 CBGD O=C(O)C(=O)NN=C1C(=O)Nc2cc(F)ccc21 1601637591 CIUGBTRRUZDKMV-UHFFFAOYSA-N 251.173 -0.317 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCC[C@H](CC(=O)O)C1 1609789543 PNQBDSBVNXXUGI-SNVBAGLBSA-N 285.344 -0.024 50 20 CBGD O=C(O)c1ccc(C=NNC(=O)c2ncon2)cn1 1776106165 SLIUYOTZJPBTIU-UHFFFAOYSA-N 261.197 -0.073 50 20 CBGD O=C(NNC(=O)c1ccccc1F)C(=O)NC1CC1 8401381 JWTQDZDMHMLEAU-UHFFFAOYSA-N 265.244 -0.135 50 20 CBGD CSCCNC(=S)NNC(=O)[C@H](C)n1cncn1 271380740 HMSIANMUVZWGCQ-ZETCQYMHSA-N 288.402 -0.303 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cscn2)CC1 278671207 PYJJLWUCJLJQBR-UHFFFAOYSA-N 269.330 -0.255 50 20 CBGD C#CCNC(=O)NNc1ccc(-n2ccnc2)nn1 491071935 OSABKERWCCJKOH-UHFFFAOYSA-N 257.257 -0.078 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)CC(F)(F)F 494015168 RKSBLNQMDSQXGQ-BYPYZUCNSA-N 271.195 -0.169 50 20 CBGD C[C@H](C[S@](C)=O)C(=O)Nc1cccc(B(O)O)c1 584914424 XRIBLWPTKQKULE-CVJBHZAOSA-N 269.131 -0.681 50 20 CBGD C[C@H](CNC(=O)c1cccc(B(O)O)c1)Cn1cccn1 584930998 WDNDPIZEKQCCJC-LLVKDONJSA-N 287.128 -0.371 50 20 CBGD CC(C)[C@H](CCO)NC(=O)c1cc(B(O)O)ccc1F 584959226 ZCUKXDXEBQTTDY-LBPRGKRZSA-N 283.108 -0.358 50 20 CBGD CC[C@](C)(CNC(=O)c1cccc(B(O)O)c1)[C@H](C)O 584964300 BKDCELLFSWFDMG-IINYFYTJSA-N 279.145 -0.107 50 20 CBGD CCO[C@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)C1 584997485 CXZVLFJJHZFTOB-TXEJJXNPSA-N 263.102 -0.336 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2CCOC[C@H]2C1 585004766 MTEHZEIFWAMKRE-NWDGAFQWSA-N 275.113 -0.525 50 20 CBGD OC[C@H](CC(F)(F)F)NCc1ccc(B(O)O)o1 585031970 MUDIGIXSRIEHKJ-LURJTMIESA-N 267.012 -0.638 50 20 CBGD C[C@H](CCNCc1ccc(B(O)O)cc1F)[S@](C)=O 585034957 WAGMKBBOTASGTL-HOGDKLEQSA-N 287.165 -0.248 50 20 CBGD CN(NC(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1 735115112 UHMRVANTEZMQBT-UHFFFAOYSA-N 288.307 -0.135 50 20 CBGD CCS(=O)(=O)CCNC(=O)NNc1cccnn1 736385861 AGHJYHIERRSIDA-UHFFFAOYSA-N 273.318 -0.463 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NNC(=O)Cc1cc[nH]n1 755285026 LGSHVDXFRFBSFA-SNVBAGLBSA-N 295.343 -0.932 50 20 CBGD NC(=O)C1(C(=O)NNc2ncc(F)cn2)CCC1 762101497 HREDGWHEIGVUNJ-UHFFFAOYSA-N 253.237 -0.286 50 20 CBGD O=C(NNC(=S)NCc1ccon1)N1CCOCC1 764462387 JBFLPJRKRSPSND-UHFFFAOYSA-N 285.329 -0.405 50 20 CBGD CN(CC(=O)NNC(=O)NC1CC1)[C@H]1CCSC1 766825098 STSZJJNTAVKUJY-VIFPVBQESA-N 272.374 -0.084 50 20 CBGD CN(NC(=O)C(=O)NCc1ccc(F)cc1)C(N)=O 770439454 GNTKTDYWSSJGCT-UHFFFAOYSA-N 268.248 -0.516 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)C1(C(N)=O)CCCC1 772233511 VUZWRHARYXTJRF-UHFFFAOYSA-N 282.344 -0.726 50 20 CBGD CN(NC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)C(N)=O 778411617 HPLYPTWHFGQUFO-AWEZNQCLSA-N 292.339 -0.335 50 20 CBGD CC[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)C(=O)OC 790597805 UEFDBECUCASYIZ-MRVPVSSYSA-N 268.273 -0.701 50 20 CBGD CC(C)N(C[C@@H](O)CO)S(=O)(=O)CBr 817150769 NTJCXHTUDPXIMG-SSDOTTSWSA-N 290.179 -0.268 50 20 CBGD C[C@H](CO)N(C)NC(=O)CN1C(=O)c2ccccc2C1=O 823992883 FGCGZKLIFHDPHV-SECBINFHSA-N 291.307 -0.374 50 20 CBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1ccncc1 826445213 LBCADFMBAZQIPC-UHFFFAOYSA-N 298.266 -0.335 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H]1C[C@@H](O)C1(C)C 846953306 ABEMCTJMRRVMQN-XHNCKOQMSA-N 257.334 -0.319 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H](C)N1CCSCC1 854923165 KIPGXKFRVARUMH-QMMMGPOBSA-N 276.431 -0.109 50 20 CBGD CS(=O)(=O)N1CCCC[C@@H]1C(=O)NNc1ccncn1 857520491 ZBICSOZXWZGNCR-SECBINFHSA-N 299.356 -0.266 50 20 CBGD COC(C)(C)CN(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858696787 OALLUGINTRTBQZ-MRVPVSSYSA-N 286.332 -0.637 50 20 CBGD CC(C)n1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 861046946 HUUSRXKHGHIWMD-MRVPVSSYSA-N 294.315 -0.105 50 20 CBGD O=C(Cc1ccc(F)cc1F)NNC(=O)[C@H]1CCC(=O)N1 862454827 BMXWPQMBCGWZFT-SNVBAGLBSA-N 297.261 -0.067 50 20 CBGD CC1CC(C#N)(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 862456939 WTFMPNAJRHTIKY-XIGTVVQJSA-N 264.285 -0.648 50 20 CBGD CCC(C)(C)OCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862462036 SXQXYHGPRZRCDN-QMMMGPOBSA-N 271.317 -0.382 50 20 CBGD O=C1CC[C@@H](C(=O)NN=Cc2ccc(CO)cc2)N1 863150991 FMMWQYKULJBRCW-NSHDSACASA-N 261.281 -0.092 50 20 CBGD COCCOCC(=O)NNC(=O)C(C)(Cl)Cl 869908276 ZFFGJJDLMJVMJR-UHFFFAOYSA-N 273.116 -0.009 50 20 CBGD COC(=O)N(C)NC(=O)NC[C@@H]1CCOC[C@H]1OC 875635755 GGDBEZRQIKTFFX-DTWKUNHWSA-N 275.305 -0.050 50 20 CBGD O=C(CNC(=O)N1CCCC1)NNC(=O)C1CCC1 900661613 XFHVGPSWXQVJBH-UHFFFAOYSA-N 268.317 -0.261 50 20 CBGD O=C(O)C1=CC[C@H](NCc2ccccc2B(O)O)C1 901734186 XEQPUANDZFJYFJ-NSHDSACASA-N 261.086 -0.371 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H](C)NC(=O)c1ccco1 910140483 HUMYNKAXOGSJBD-IUCAKERBSA-N 269.301 -0.258 50 20 CBGD O=C(CCN1CCOCC1)NNC(=O)c1ccccn1 912851825 JHLTZGGVOISHNK-UHFFFAOYSA-N 278.312 -0.435 50 20 CBGD CCS(=O)(=O)CC(=O)NNC(=O)c1ccc[nH]1 919683945 RSNAYSJNROTMEP-UHFFFAOYSA-N 259.287 -0.790 50 20 CBGD N#CCOc1ccc(NC(=O)NNC(=O)CO)cc1 1116561569 CGJVDEDTSJOUDC-UHFFFAOYSA-N 264.241 -0.266 50 20 CBGD COCC(C)(C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1253641198 MAMYRBVECNOXSJ-MRVPVSSYSA-N 292.357 -0.759 50 20 CBGD NC(=O)N[C@H](CO)C(=O)NNc1cccc(Cl)n1 1261247385 VYQLPFWXAXZVLV-RXMQYKEDSA-N 273.680 -0.793 50 20 CBGD COc1ccc(C(=O)NNC(=O)CCNC(N)=O)cc1 1317703316 IDLFHKKVSMVLFI-UHFFFAOYSA-N 280.284 -0.485 50 20 CBGD Cn1ccnc(NNC(=O)CNC(=O)C(C)(C)C)c1=O 1319053130 SKAJRMBGMBQABX-UHFFFAOYSA-N 281.316 -0.614 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccccc1O 1319964159 QJCUKTNPSGKXAG-UHFFFAOYSA-N 265.269 -0.322 50 20 CBGD Cc1ccc(NC(=O)NNC(=O)CCO)c(N(C)C)n1 1320280484 RJNMZOHGHRMUAG-UHFFFAOYSA-N 281.316 -0.009 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H]1CCCC(=O)N1 1321668554 KNVJXIJXDKHFAR-SSDOTTSWSA-N 258.347 -0.441 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CCSC1 1322339993 UFZZDKNBPPRBAU-LURJTMIESA-N 261.303 -0.757 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CC[C@@]3(CCOC3)C2)N1 1328717926 GEFXPSGHONLWMY-TVQRCGJNSA-N 296.327 -0.882 50 20 CBGD O=C(NNC(=S)NC[C@@H]1CCOC1)c1cn[nH]c1 1330150488 UYAKNEOFWRCIOI-ZETCQYMHSA-N 269.330 -0.445 50 20 CBGD C#CC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 1336656413 VTBDCLCHSMUBKI-UHFFFAOYSA-N 266.278 -0.516 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 1346067657 HCJKJYOTYANILT-AEJSXWLSSA-N 293.327 -0.587 50 20 CBGD O=C(NNC(=O)[C@H]1CCN1)c1cnc2[nH]ncc2c1 1580736208 OEPCHGMDCABXFP-MRVPVSSYSA-N 260.257 -0.919 50 20 CBGD CC(C)(C(=O)O)C(=O)NNC(=O)c1ncccn1 1588618453 MLIUEIQIDYEFLJ-UHFFFAOYSA-N 252.230 -0.652 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCC(=O)O 1589418314 YNTJWNGLFBIKSL-NKWVEPMBSA-N 259.262 -0.784 50 20 CBGD C[C@H]1[C@@H](C(=O)O)CCN1C(=O)c1cc(B(O)O)ccc1F 1594159375 RGTOAKFWIOSURM-CBAPKCEASA-N 295.075 -0.559 50 20 CBGD CS(=O)(=O)SCCNC(=O)[C@H]1CC[C@H]1C(=O)O 1599762094 JFZYWBBNHRWVRW-NKWVEPMBSA-N 281.355 -0.094 50 20 CBGD Cn1c(C(=O)O)ccc1C(=O)NNC(=O)NC1CC1 1600903826 NJEWAAQZGNXFEQ-UHFFFAOYSA-N 266.257 -0.170 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCCN2CCCC[C@@H]12 1601553021 RCUGACYXYNJOOS-BDAKNGLRSA-N 284.316 -0.582 50 20 CBGD O=C(O)c1cnc(C(=O)NNC(=O)c2cccnn2)cn1 1602508973 ICHWHESELRGSCA-UHFFFAOYSA-N 288.223 -0.960 50 20 CBGD O=C(Cn1cccnc1=O)NNC(=O)c1ccccc1 32647054 UMZSJRQBKKBQHN-UHFFFAOYSA-N 272.264 -0.296 50 20 CBGD COC(=O)NNC(=O)CNC(=O)c1cccs1 36627406 XLCLGKULAVFMOY-UHFFFAOYSA-N 257.271 -0.135 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(CNC(N)=O)cc1 49165696 QQVGPBWNLZSFHJ-UHFFFAOYSA-N 279.300 -0.181 50 20 CBGD CNC(=O)NNC(=O)COc1ccccc1-c1nnn[nH]1 95296299 LINLEHYGMQOIIQ-UHFFFAOYSA-N 291.271 -0.794 50 20 CBGD C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NNc1cccnn1 194067790 RLLMKTVHISCRCG-VXNVDRBHSA-N 264.289 -0.373 50 20 CBGD O=C(NNc1ncncc1F)[C@@]1(O)CCSC1 294178441 WOSVZKRUOBLUPU-SECBINFHSA-N 258.278 -0.073 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 363865496 UOPRKCYYMJSXKG-QMMMGPOBSA-N 295.270 -0.682 50 20 CBGD CN1C[C@@H](NS(=O)(=O)CCCCl)CC1=O 379778013 DVWMQWCNTDSLKR-ZETCQYMHSA-N 254.739 -0.235 50 20 CBGD C[C@@H](CN)N(C)CC(=O)NNC(=O)c1cccs1 383017082 JVBWFBIDMVZNNE-QMMMGPOBSA-N 270.358 -0.212 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H](C)N1CCN(C)CC1 495626322 OUSOUAXUEUJJEE-SECBINFHSA-N 258.322 -0.648 50 20 CBGD C[C@@H](NC(=O)c1ccc(B(O)O)cc1)[C@@H](C)n1cccn1 584945870 MKZGEICVTJGYQS-GHMZBOCLSA-N 287.128 -0.058 50 20 CBGD C[C@H]1CN(C)[C@H](C)CN1C(=O)c1ccc(B(O)O)c(F)c1 584969273 KPNPGDNSEGVSHQ-ZJUUUORDSA-N 294.135 -0.330 50 20 CBGD CC[C@H](C)NC(=O)CCNCc1ccc(B(O)O)o1 585020765 IQEYHSOIOHXYDU-VIFPVBQESA-N 268.122 -0.646 50 20 CBGD COC[C@@H](CCNCc1ccc(B(O)O)cc1F)OC 585045226 FSENCDMPLHNOEF-GFCCVEGCSA-N 285.124 -0.353 50 20 CBGD C[C@]12CCC(=O)N1[C@H](C(=O)N1CC[C@H](B(O)O)C1)CS2 585073519 YQMPEWAKFQZCLG-AUTRQRHGSA-N 298.173 -0.484 50 20 CBGD COc1cc(OC)nc(N2CC[C@@H](B(O)O)C2)n1 585078816 MWHJWDQUHWAHFG-SSDOTTSWSA-N 253.067 -0.453 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 726613748 QXLNYJKSOCTRMW-UHFFFAOYSA-N 294.267 -0.120 50 20 CBGD C=CCCOCC(=O)NNC(=O)c1cnn(C)c1 735445243 PZLPUFFANPGPQJ-UHFFFAOYSA-N 252.274 -0.226 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@@H]1COCCO1)C1CC1 745172997 BFAPQEJHNXZUCG-CBAPKCEASA-N 273.358 -0.304 50 20 CBGD Cc1cc(C(=O)NNC(=O)N2CCOCC2)n[nH]1 745996077 LMOMCXFTXZXANV-UHFFFAOYSA-N 253.262 -0.595 50 20 CBGD CO[C@H]1C[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1(C)C 753558769 UKRPZULVTGMVRX-IUCAKERBSA-N 298.343 -0.591 50 20 CBGD Cn1[nH]cnc1=NC(=O)NNC(=O)CC(F)(F)F 757760258 GJFGHYASPBSIBH-UHFFFAOYSA-N 266.183 -0.658 50 20 CBGD COC(=O)c1coc(C=NNC(=O)C(=O)NC2CC2)c1 758099778 MUYOYIIOHQUAQA-UHFFFAOYSA-N 279.252 -0.205 50 20 CBGD CNc1nnc(CC(=O)NNC(=O)NC(C)C)s1 759643222 MLKARYHGMFMUBT-UHFFFAOYSA-N 272.334 -0.139 50 20 CBGD NC(=O)[C@H]1CC[C@@H](CNC(=O)NNc2ccc(F)cn2)O1 759777807 XCLRSMGFAHQNLB-DTWKUNHWSA-N 297.290 -0.120 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2c[nH]c(C#N)c2)cn1 778762512 ANLQPJMBUMRBJA-UHFFFAOYSA-N 258.241 -0.305 50 20 CBGD CCNC(=O)N(C)NC(=O)CS(=O)(=O)CC(C)C 780712519 XBWSOEPJGBYYOT-UHFFFAOYSA-N 279.362 -0.250 50 20 CBGD CN(NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(N)=O 782122703 CHFAXLUARAICES-UHFFFAOYSA-N 254.202 -0.044 50 20 CBGD CS(=O)(=O)C1(C(=O)NNC(=O)c2ccccn2)CC1 792003813 ADFCGQBRLYVQEG-UHFFFAOYSA-N 283.309 -0.580 50 20 CBGD Cn1ccc(CC(=O)NNC(=O)NCC(F)(F)F)n1 798314384 JBYGMAUTWAPZEW-UHFFFAOYSA-N 279.222 -0.145 50 20 CBGD Cn1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)cc1=O 802027660 QSHRQKMNLCVNHH-UHFFFAOYSA-N 287.279 -0.331 50 20 CBGD CC(C)CC(=O)NNC(=O)c1nc(N)nc(N(C)C)n1 816831273 MTOYWVPTVSCJFU-UHFFFAOYSA-N 281.320 -0.673 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCCCN(C)C1=O 824016998 XNGKGJZYDRNNJP-GARJFASQSA-N 297.355 -0.183 50 20 CBGD Cc1cc(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n(C)n1 826738855 CIZBNGGQILFTRT-KOLCDFICSA-N 295.343 -0.016 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1C[C@H]2C[C@H]1C(=O)O2 827266518 CCFFFSVECOGMCA-KZVJFYERSA-N 283.284 -0.848 50 20 CBGD Cc1ccccc1CC(=O)NNC(=O)[C@]1(O)CCOC1 840399612 QOWAZHJXYKCINM-AWEZNQCLSA-N 278.308 -0.164 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CN1CCCC1=O 843645416 HQILHJXVLXLSJI-RKDXNWHRSA-N 269.301 -0.819 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(N)=O)cc1 843648337 PZZJQLRMNNQNEZ-LDYMZIIASA-N 291.307 -0.029 50 20 CBGD C[C@@H]1[C@H](C(=O)NNC(=O)Cc2cc[nH]n2)CCN1C 843793254 WZXGFSSJJLJYQE-PSASIEDQSA-N 265.317 -0.560 50 20 CBGD O=C(NNc1ccccn1)[C@@H]1CCS(=O)(=O)N1 845918311 ISAGQHPHULZINP-ZETCQYMHSA-N 256.287 -0.784 50 20 CBGD CNC(=O)NNC(=O)[C@]1(c2ccccc2)CCC(=O)NC1 847383349 GHSJRDPYMRKZBK-CQSZACIVSA-N 290.323 -0.205 50 20 CBGD COC1(C(C)=NNC(=O)[C@H](C)NS(C)(=O)=O)CCC1 853303088 PQSYDYDYOPEKML-QMMMGPOBSA-N 291.373 -0.015 50 20 CBGD CCOc1cnc(C(=O)NN(C)C(=S)NC)cn1 854922833 RSIMLLIKMQKTNF-UHFFFAOYSA-N 269.330 -0.044 50 20 CBGD Cc1n[nH]c(C)c1CC(=O)NNC(=O)c1cc[nH]n1 855362269 PQVUUXALXFNPFW-UHFFFAOYSA-N 262.273 -0.247 50 20 CBGD COc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862450327 YQFMXQXXOAZBKW-SNVBAGLBSA-N 277.280 -0.265 50 20 CBGD O=C(/C=C\CN1CCOCC1)NNC(=O)c1ccncc1 864386319 ZWBIFLAVXLUQOT-UPHRSURJSA-N 290.323 -0.269 50 20 CBGD Cn1cccc1C(=O)NNC(=O)/C=C\CN1CCOCC1 864594303 SATJWBGBTFZGNH-HYXAFXHYSA-N 292.339 -0.326 50 20 CBGD COCCOCC(=O)NNC(=O)CCCn1cccn1 869908924 BSOOSDXGRANMTB-UHFFFAOYSA-N 284.316 -0.526 50 20 CBGD O=C(CN1CCOC1=O)NNC(=O)C1CCCC1 873991957 UIXGOMWCMZRUPB-UHFFFAOYSA-N 255.274 -0.224 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)c1cccn1C 915263162 SFBYKJZWKQDMBI-MRVPVSSYSA-N 266.301 -0.299 50 20 CBGD CC(=O)NNC(=O)CCN1C(=O)NC2(CCCC2)C1=O 920205929 AIIRSYLUIIVFCL-UHFFFAOYSA-N 282.300 -0.592 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CCN(C)C(=O)C1 920431087 NYAKPGHKKFSTTI-QMMMGPOBSA-N 270.358 -0.464 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)c1c(C)noc1C 1116181881 KXPSDYWOLCRFTL-YFKPBYRVSA-N 284.272 -0.144 50 20 CBGD COC1(C(=O)NNC(=O)Cc2ccncc2)CCOCC1 1117057307 AZURPJCPFCNSQX-UHFFFAOYSA-N 293.323 -0.033 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CCc2nnnn2CC1 1118712684 FFRIUIIBENYDNJ-SSDOTTSWSA-N 283.361 -0.907 50 20 CBGD COc1cc(NC(=O)C(=O)NNc2ccccn2)ncn1 1254882719 PPHVKEKOWMKAFP-UHFFFAOYSA-N 288.267 -0.038 50 20 CBGD CCC1(Cn2cc(C(=O)NNC(=O)N(C)C)nn2)COC1 1261676134 ZBCULFPJIYNUOP-UHFFFAOYSA-N 296.331 -0.379 50 20 CBGD Cn1c(C(=O)NNC(=O)C(=O)N2CCCC2)cnc1Cl 1261907770 QHMMISQHUHNWPY-UHFFFAOYSA-N 299.718 -0.543 50 20 CBGD Cc1nn(C)c(C)c1C(=O)C(=O)NN(C)C[C@@H](C)O 1262178384 ZWCANDNHVKEMAP-SSDOTTSWSA-N 268.317 -0.437 50 20 CBGD CC[C@H](C)N(C)CCNC(=O)NNC(=O)C(=O)OC 1318876029 CYVYURDLIPCPCD-QMMMGPOBSA-N 274.321 -0.780 50 20 CBGD O=C(CO)NNC(=O)CCc1nnc(-c2ccsc2)o1 1319876620 DQXQJBGWEQHQFJ-UHFFFAOYSA-N 296.308 -0.130 50 20 CBGD CCn1ccc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 1328799472 NJFKYVLLLPNANV-VIFPVBQESA-N 294.315 -0.988 50 20 CBGD COCCOC[C@H](C)NC(=O)NN(C)C(=O)OC 1330295295 VFXQKFKORGBOCY-QMMMGPOBSA-N 263.294 -0.050 50 20 CBGD CC[C@H](NC(=O)NNC(=O)c1cccc(F)n1)C(=O)NC 1330580899 CONWIRQIEDKGSM-ZETCQYMHSA-N 297.290 -0.311 50 20 CBGD Cc1nc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cs1 1335353326 KCPOPHBSYYRXAL-QMMMGPOBSA-N 282.325 -0.580 50 20 CBGD Cc1nnc2n1C[C@@H](C(=O)NN(C)C(N)=O)CC2 1341910994 ZYZCEZYYEDTEFK-ZETCQYMHSA-N 252.278 -0.809 50 20 CBGD Cc1nc(C(=O)NNC(=O)CCCCCN)n(C)n1 1351279001 IPCLLKVKUBUWFK-UHFFFAOYSA-N 268.321 -0.596 50 20 CBGD C[C@H](CC(=O)O)NC(=O)NNC(=O)[C@@H]1CCCCO1 1589000702 CXPWGEGDKCDCIS-SFYZADRCSA-N 273.289 -0.251 50 20 CBGD O=C(O)C1=NO[C@H](C(=O)NNC(=O)c2ccccn2)C1 1594891484 XTGLFSPAFLELJY-QMMMGPOBSA-N 278.224 -0.928 50 20 CBGD O=C(O)c1cccnc1NNC(=O)[C@@]1(O)CCOC1 1595262301 XTPOTROTVUDAKU-LLVKDONJSA-N 267.241 -0.626 50 20 CBGD CCNC(=O)NNC(=O)c1ccnc(C(=O)O)c1 1596471270 WERFGKBVDWVQKP-UHFFFAOYSA-N 252.230 -0.256 50 20 CBGD O=C(NCC1CC1)NNC(=O)c1cc(C(=O)O)on1 1601479714 VCCIQRFKKFOSTI-UHFFFAOYSA-N 268.229 -0.273 50 20 CBGD CC(C)(CCNC(=O)c1cc(B(O)O)ccc1F)C(=O)O 1602942812 XOYWZQVXBQXHKX-UHFFFAOYSA-N 297.091 -0.264 50 20 CBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)Cc1cc[nH]n1 1605022849 AYOQQGCEOXDQQI-KBUNVGBDSA-N 266.257 -0.790 50 20 CBGD CN1CCC[C@@H](CCNC(=O)NNC(=O)C(=O)O)C1 1606222391 CWINXEOXJVHGCP-QMMMGPOBSA-N 272.305 -0.867 50 20 CBGD COCCOCC(=O)NN=Cc1ccc(C(=O)O)nc1 1776098016 RFFMNSGQJBPIBK-UHFFFAOYSA-N 281.268 -0.107 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2COCCO2)n1 30886621 SMEGSHRGEHKTKK-ZETCQYMHSA-N 254.246 -0.656 50 20 CBGD COC(=O)C1(C(=O)NNC(=O)c2cccn2C)CC1 124849415 CCXRKAJDIZKOLZ-UHFFFAOYSA-N 265.269 -0.261 50 20 CBGD CN(NC(=O)c1ccc(-n2ccnn2)cc1)C(N)=O 182661288 HUOPJDZIIKDSQJ-UHFFFAOYSA-N 260.257 -0.077 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cc(-n2cccn2)ccn1 190076086 XQCIBBKRVNROHW-UHFFFAOYSA-N 289.295 -0.201 50 20 CBGD COC[C@H](CNS(=O)(=O)CBr)OC 227983377 KSQGAAXPDJQSKR-LURJTMIESA-N 276.152 -0.080 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H]1C=CCC1 264131532 MSFRMPMKJNSOAI-IUCAKERBSA-N 289.357 -0.572 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CN(C)CCO2)c(O)c1 267993445 KZSFGDLKLUANGY-GFCCVEGCSA-N 293.323 -0.208 50 20 CBGD C[C@H](C(=O)NN(C)C(N)=O)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 272147864 FTOGWMBYFSQNBC-IWSPIJDZSA-N 296.327 -0.408 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(C)C2)n1 279799934 LWLVZCALPICJPP-VIFPVBQESA-N 276.296 -0.371 50 20 CBGD Cc1nnc(SCCC(=O)NNC(=O)[C@@H]2CCCO2)[nH]1 294606937 JNRZEDRHRBWQRR-QMMMGPOBSA-N 299.356 -0.078 50 20 CBGD Cn1c(=O)ccn(CC(=O)NCC(Cl)Cl)c1=O 294764491 SIOZCVNWEKXHFA-UHFFFAOYSA-N 280.111 -0.533 50 20 CBGD CNC(=O)NNC(=O)Cn1cc(Br)cn1 299108591 HGNJQZYGGBCLTK-UHFFFAOYSA-N 276.094 -0.394 50 20 CBGD COCCOC[C@H](C)NC(=O)c1cc(B(O)O)ccc1F 584951137 ILNXKVPYZLANFN-VIFPVBQESA-N 299.107 -0.713 50 20 CBGD CCN(C)C[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584954234 KDWNXEMVNAELPU-GFCCVEGCSA-N 290.172 -0.220 50 20 CBGD Cc1nnc([C@H](C)NC(=O)c2ccc(B(O)O)c(F)c2)o1 584958753 SIMJJQPRPGFRFJ-LURJTMIESA-N 293.063 -0.312 50 20 CBGD N#CCC1(CNC(=O)c2ccc(B(O)O)c(F)c2)CC1 584982493 GGFWBNWRPMNUMV-UHFFFAOYSA-N 276.076 -0.071 50 20 CBGD O=C(NC[C@@H](CO)CC1CCC1)c1cccc(B(O)O)c1 584985743 PTZWZIOQGFRNMD-LBPRGKRZSA-N 291.156 -0.105 50 20 CBGD CN1CC[C@@H](N(C)C(=O)c2ccc(B(O)O)cc2)C1 585009118 PNPZJGNDOSFSHZ-GFCCVEGCSA-N 262.118 -0.858 50 20 CBGD Cc1nccn1CCCNCc1ccc(B(O)O)o1 585016870 CFPARBYYOIYVST-UHFFFAOYSA-N 263.106 -0.356 50 20 CBGD OCCCSCCNCc1ccccc1B(O)O 585022426 YTTSAUFEBXJKRG-UHFFFAOYSA-N 269.175 -0.428 50 20 CBGD OB(O)c1ccccc1CNC[C@@]1(O)CCSC1 585026100 IOLASIGBDCKWOO-LBPRGKRZSA-N 267.159 -0.676 50 20 CBGD CCO[C@H](CCN(C)C)CNCc1ccc(B(O)O)o1 585034456 PGXJQKBJGVKFQH-LLVKDONJSA-N 284.165 -0.594 50 20 CBGD CN(C)c1cccnc1CNCc1ccc(B(O)O)o1 585040757 IUNWWKKQAVJKJR-UHFFFAOYSA-N 275.117 -0.290 50 20 CBGD CCN1CC[C@H](NCc2ccc(B(O)O)cc2F)C1 585045888 JKCACXSJNAZGNT-LBPRGKRZSA-N 266.125 -0.311 50 20 CBGD O=C(Cn1ccc2ccc(F)cc21)NCB(O)O 585062740 MKSVTKRJEBGAEJ-UHFFFAOYSA-N 250.038 -0.091 50 20 CBGD O=C(CN1CCS(=O)(=O)CC1)NNc1ccccc1 732266292 WXAHIQSCVMZFSE-UHFFFAOYSA-N 283.353 -0.140 50 20 CBGD CC[C@H]1C(=O)NCCN1CC(=O)NNC(=O)C(C)(C)C 744404451 ROUGMXRFHBOPOI-VIFPVBQESA-N 284.360 -0.610 50 20 CBGD CCCCNC(=O)NNS(=O)(=O)CCOCCOC 754749545 GJRDHRVIWSPEBD-UHFFFAOYSA-N 297.377 -0.417 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cnc2[nH]nnc2c1 755292085 BEZHJVVRIGQYBT-UHFFFAOYSA-N 286.255 -0.541 50 20 CBGD Cc1cc(NC(=O)NNC(=O)CO)n(-c2ccccn2)n1 755515537 MPGIUVKLQNRWSG-UHFFFAOYSA-N 290.283 -0.279 50 20 CBGD CNC(=O)NN=Cc1c(C)nn(C)c1N1CCOCC1 755660906 GXQBSOBEAFIKPS-UHFFFAOYSA-N 280.332 -0.172 50 20 CBGD CCC1(C(=O)NNc2nccn(C)c2=O)COC1 755830849 AWZFATBEGQQAPY-UHFFFAOYSA-N 252.274 -0.350 50 20 CBGD CCOCC(=O)NNC(=O)Nc1cccc(C(N)=O)n1 757738114 JAKBBKILQLECBQ-UHFFFAOYSA-N 281.272 -0.630 50 20 CBGD CC(=O)NNS(=O)(=O)N1CCc2ccccc2C1 775248165 QJPRBTRMGJFAGD-UHFFFAOYSA-N 269.326 -0.070 50 20 CBGD O=C(NNC(=O)[C@@H](F)Cc1ccccc1)C(=O)NC1CC1 777971640 KOVYNNRGKABDNZ-NSHDSACASA-N 293.298 -0.007 50 20 CBGD NC(=O)CCCC(=O)NNC(=O)NCc1ccco1 787202683 SMUPZMMDMHGMQP-UHFFFAOYSA-N 268.273 -0.234 50 20 CBGD C[C@H]1C[C@@H](C(=O)NNC(=O)N2CCN(C)CC2)CO1 807378953 NNIDRBNKTCBTEB-VHSXEESVSA-N 270.333 -0.600 50 20 CBGD CC(Cn1cccn1)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 814814559 PFFLYLMBDDKOPS-SNVBAGLBSA-N 299.356 -0.255 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCS[C@H]1C 814835538 UOYHDCHDOLUVGE-BQBZGAKWSA-N 279.387 -0.078 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCS[C@@H]1C 814835540 UOYHDCHDOLUVGE-RNFRBKRXSA-N 279.387 -0.078 50 20 CBGD CN1C(=O)c2ccc(C(=O)NNc3nc[nH]n3)cc2C1=O 816634892 WDCRAYFUPRXXJH-UHFFFAOYSA-N 286.251 -0.213 50 20 CBGD CNC(=O)NNS(=O)(=O)C[C@H](CC(C)C)OC 817355199 MKYYXLMKAJTPAR-QMMMGPOBSA-N 267.351 -0.189 50 20 CBGD C#C[C@H](C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 820440526 LEIGAXQIRDAXAB-WCBMZHEXSA-N 259.331 -0.611 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1COCCN1C1CCCC1 823879291 KDHWJKSIJWGVNH-ZDUSSCGKSA-N 285.388 -0.025 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 823976208 ATGXCJNMTQSHRT-ZYHUDNBSSA-N 283.372 -0.021 50 20 CBGD C[C@@H](CO)N(C)NC(=O)Cn1c(=O)n(C)c2ccccc21 823982956 HZJBXJPUBWXWLX-JTQLQIEISA-N 292.339 -0.316 50 20 CBGD CCc1cnc(O)c(C(=O)NNC(=O)C(C)(C)O)c1 832754489 KLMQACREEGMVSA-UHFFFAOYSA-N 267.285 -0.119 50 20 CBGD CC(C)[C@@](C)(O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843970901 MVIFYKTVKGPTLE-HOTUBEGUSA-N 258.318 -0.034 50 20 CBGD N#Cc1cccc(NNC(=O)[C@H]2CCS(=O)(=O)N2)c1 845855350 PHLAHNMCJNVYKI-SNVBAGLBSA-N 280.309 -0.307 50 20 CBGD CCOCC(=O)NNC(=O)NCCC1CCNCC1 846211636 XTBWTLIBKCMHNZ-UHFFFAOYSA-N 272.349 -0.257 50 20 CBGD O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1CCNC1=O 854238428 YTIKCEQUUHXFTP-JTQLQIEISA-N 279.271 -0.348 50 20 CBGD O=C(NNc1ccc(-n2ccnc2)nn1)[C@@H](O)C1CC1 854448761 MRTLVLVLSKDHTB-NSHDSACASA-N 274.284 -0.124 50 20 CBGD COC(=O)c1cnn(CC(=O)NNC(=O)C(C)C)c1 858143816 XFJUPDBIMMZHRI-UHFFFAOYSA-N 268.273 -0.527 50 20 CBGD CC(C)c1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)n[nH]1 862452516 XTAYGGZHSSZPIO-SSDOTTSWSA-N 279.300 -0.427 50 20 CBGD Cc1cc(=NNC(=O)[C@H](C)N2C(=O)CCC2=O)cc[nH]1 862510022 ZRSIVQLKVABPGM-VIFPVBQESA-N 276.296 -0.207 50 20 CBGD CCOCCONC(=O)c1cccc(B(O)O)c1 863878309 CVUHWEFDXAAVOZ-UHFFFAOYSA-N 253.063 -0.936 50 20 CBGD C=C[C@@](C)(O)CC(=O)NNC(=O)COCCOC 869906884 VMLSXOAWFVUVID-LLVKDONJSA-N 260.290 -0.876 50 20 CBGD C#CCCCC(=O)NNC(=O)c1cccc(=O)n1C 887145493 GHLRQSCIQDJJNL-UHFFFAOYSA-N 261.281 -0.050 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2 892601949 PNOQJMKERXAODK-JGPRNRPPSA-N 284.360 -0.116 50 20 CBGD CN1C(=O)CCC[C@H]1C(=O)NNC(=O)NC1CC1 906416735 OAWUGPRZVFYOOR-QMMMGPOBSA-N 254.290 -0.510 50 20 CBGD COCC1(C(=O)NNC(=O)CN2CCCC2=O)CCC1 913732630 CUPWULGRXMOVIO-UHFFFAOYSA-N 283.328 -0.427 50 20 CBGD CCCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 920855948 QMNDYUPRRBLYRB-QMMMGPOBSA-N 256.306 -0.214 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC1(OC)CCCCC1 1116679744 VXUAEMORGBPYMM-UHFFFAOYSA-N 287.316 -0.161 50 20 CBGD CC(C)(C(N)=O)C(=O)NNc1nncc(N)c1Cl 1116806993 NALBLZALTPFZBV-UHFFFAOYSA-N 272.696 -0.333 50 20 CBGD CC(C[C@H]1CCC(=O)N1)=NNC(=O)[C@H]1CCC(=O)N1 1118889569 MPKKLTYNXMASQB-RKDXNWHRSA-N 266.301 -0.574 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1CN2CCN1C[C@H]2C 1123572724 BQKMCIRWROYJBY-ZJUUUORDSA-N 285.417 -0.722 50 20 CBGD C[C@@H](NC(=O)NNc1ncccn1)[C@H]1CN(C)CCN1C 1123794868 OGMZBQZAGGTCDJ-GHMZBOCLSA-N 293.375 -0.263 50 20 CBGD NS(=O)(=O)c1cc(C(=O)NNc2ncccn2)cs1 1318220776 GTAQNDHUAQPTBZ-UHFFFAOYSA-N 299.337 -0.058 50 20 CBGD CNC(=O)NNC(=O)C(=O)NCc1ccc(F)cc1 1318700496 AMQVSDSBTXCUCC-UHFFFAOYSA-N 268.248 -0.598 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(C#N)CCOCC1 1320491613 QCYLTKGZSDDQRI-VIFPVBQESA-N 297.311 -0.204 50 20 CBGD O=C(NCC1CC1)C(=O)NNc1ncc(F)cn1 1324451849 LMALQROCXJZBDA-UHFFFAOYSA-N 253.237 -0.415 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCS(=O)(=O)C1)NC1CC1 1326443376 YGHPNLVADJMGLA-SSDOTTSWSA-N 275.330 -0.696 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)N[C@H]3CCNC3)nc21 1327501600 YNIANSUVQYGTKY-LURJTMIESA-N 292.303 -0.943 50 20 CBGD CCn1ncc(Cl)c1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329077798 IINUZYFKRXFZMM-ZETCQYMHSA-N 299.718 -0.404 50 20 CBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)no1 1329299636 LMVJUHIXXVETGX-HTQZYQBOSA-N 296.283 -0.506 50 20 CBGD CC(C)C[C@@H](CO)NC(=O)NNC(=O)c1ncccn1 1333606863 VLQZKCXRQJGLCB-VIFPVBQESA-N 281.316 -0.172 50 20 CBGD O=C(NNc1cccnn1)[C@H]1CCCS1(=O)=O 1346463618 NTHIKWCEJVWTIL-SSDOTTSWSA-N 256.287 -0.503 50 20 CBGD Cn1nncc1NNC(=O)C(C)(C)S(=O)(=O)C1CC1 1351217906 UDQGEHYPMMVBRT-UHFFFAOYSA-N 287.345 -0.386 50 20 CBGD C[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)n1cccc1 1351665758 GFZXOEHKUYLKGF-QMMMGPOBSA-N 273.314 -0.759 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@@H](C(=O)O)[C@@H](C)C1 1588799312 CQDSUCMMJQWULO-VHSXEESVSA-N 285.344 -0.168 50 20 CBGD Cn1cncc1CC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1592589635 FBRIXDXSYJIDPP-UHFFFAOYSA-N 299.298 -0.319 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@H]1C(=O)O)[C@H]1C[C@H]2CC[C@H]1O2 1601555623 AQMXRZLJTPYESA-QKCLAQEOSA-N 268.269 -0.578 50 20 CBGD O=C(O)c1coc(C(=O)NNC(=O)c2ncon2)c1 1602550365 CTNBLTJOGDEEER-UHFFFAOYSA-N 266.169 -0.564 50 20 CBGD O=C1C[C@H](C(=O)NNc2ccc(C(=O)O)c(F)c2)N1 1602631245 IRHUIAVFGFZRFE-MRVPVSSYSA-N 267.216 -0.145 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCC(F)(F)C1 1610699368 VFDNWSJEYJIQSC-SCSAIBSYSA-N 251.189 -0.411 50 20 CBGD O=C(O)CC1CC(=NNC(=O)[C@@H]2COCCO2)C1 1610762093 SYMFZGJJSDRIRF-NETXQHHPSA-N 256.258 -0.241 50 20 CBGD C[C@H](O)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1846169121 WIOUJSNWRUWFEK-IUCAKERBSA-N 290.747 -0.830 50 20 CBGD O=C(COc1ccccc1)NCC(=O)NNC(=O)C1CC1 15794200 XOOJJLUUYPNBRQ-UHFFFAOYSA-N 291.307 -0.261 50 20 CBGD O=C(NCC1CC1)NNC(=O)c1ccc(=O)[nH]c1 49166927 PFBDHIFFKOVDMT-UHFFFAOYSA-N 250.258 -0.271 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)[C@H](C)NC(N)=O 68777591 LYLMUPZKEGXGMO-QMMMGPOBSA-N 264.285 -0.187 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)c2ccc(Cl)nc2)C1 81263841 MTDHWHAPGIHMAL-VIFPVBQESA-N 298.730 -0.173 50 20 CBGD COc1ccccc1OCC(=O)NNC(=O)CO 272051160 DWPDQZZHKNLSKX-UHFFFAOYSA-N 254.242 -0.786 50 20 CBGD CC[C@](C)(C#N)C(=O)NNC(=O)N1CCOCC1 285200682 OMCHARFHLBLLIU-LLVKDONJSA-N 254.290 -0.001 50 20 CBGD NNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 371209762 VYSHTSKKXBIEFX-SECBINFHSA-N 277.280 -0.199 50 20 CBGD COC(=O)NNC(=O)CNS(=O)(=O)c1ccccc1 496559155 OFEINRYSKNIPEI-UHFFFAOYSA-N 287.297 -0.648 50 20 CBGD O=C(COc1ccc(B(O)O)cc1)NCC(F)(F)F 584909259 JIKDONSAUPFQAH-UHFFFAOYSA-N 277.007 -0.576 50 20 CBGD CC(=O)N[C@H](C(=O)Nc1cccc(B(O)O)c1)C(C)(C)C 584910559 CFNRXNYDDALDAY-GFCCVEGCSA-N 292.144 -0.144 50 20 CBGD O=C(NCc1nncn1C1CC1)c1ccc(B(O)O)cc1 584942796 WXFJUDHXRVLRDE-UHFFFAOYSA-N 286.100 -0.777 50 20 CBGD C[C@@H](CO)CCCNC(=O)c1ccc(B(O)O)c(F)c1 584967446 JRGYNYPUGXTRKZ-SECBINFHSA-N 283.108 -0.356 50 20 CBGD C[C@H]1COCC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584983276 PVXKLFWXTAYUKI-QPUJVOFHSA-N 281.092 -0.340 50 20 CBGD C[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C[C@H]1CO 585010624 NXSODKSKNJIPLS-JQWIXIFHSA-N 277.129 -0.543 50 20 CBGD OB(O)c1cccc(CNCCCn2cccn2)c1 585017470 BTVICVKZAWENMU-UHFFFAOYSA-N 259.118 -0.257 50 20 CBGD Cc1c([C@@H](C)NCc2ccc(B(O)O)o2)cnn1C 585018499 WQHMIAWKTIWWMN-MRVPVSSYSA-N 263.106 -0.148 50 20 CBGD OB(O)c1ccccc1CNCCC1(O)CCOCC1 585040270 HTISIQNILDMUOQ-UHFFFAOYSA-N 279.145 -0.612 50 20 CBGD CN1CCN(CC(=O)NNC(=O)c2cccs2)CC1 727056781 FMKNOVZPBFMDBI-UHFFFAOYSA-N 282.369 -0.244 50 20 CBGD CS(=O)(=O)N1CCC[C@H]1C(=O)NNc1cnccn1 734244259 AHGYTUSRHSSHGV-QMMMGPOBSA-N 285.329 -0.656 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2C[C@@H]2C(=O)O)nc1O 738932635 VNQHVJYRXHABCV-WHFBIAKZSA-N 253.218 -0.951 50 20 CBGD NC(=O)C(=O)NN=Cc1n[nH]nc1-c1ccccc1 755491837 RLEMGAYXRGVMQS-UHFFFAOYSA-N 258.241 -0.593 50 20 CBGD CNC(=O)NCC(=O)NNc1nc(-c2cccnc2)no1 761161317 XYKUUGNCHMIQJF-UHFFFAOYSA-N 291.271 -0.496 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCSC[C@H]1CO 767118069 ABASLHMVPQKTLS-SECBINFHSA-N 289.401 -0.410 50 20 CBGD C[C@H](Sc1ccccn1)C(=O)NNC(=O)CO 777781924 IPCSLESVWCSKPN-ZETCQYMHSA-N 255.299 -0.298 50 20 CBGD CNC(=O)NNC(=O)c1cnnn1-c1cccc(F)c1 789911148 AAOFMFKZAHRQGR-UHFFFAOYSA-N 278.247 -0.020 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CC1OCCO1 793456392 RYBNTYOYBQQECV-UHFFFAOYSA-N 254.246 -0.758 50 20 CBGD COC[C@H](O)CNC(=O)NNC(=O)c1ccc(C#N)cc1 801748520 YHQHMCSLPSSMNA-LLVKDONJSA-N 292.295 -0.490 50 20 CBGD C[C@H](O)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2 802105506 ZUCGXYIGSPXDJZ-LURJTMIESA-N 267.241 -0.051 50 20 CBGD COCCCNC(=O)NNC(=O)[C@](C)(O)C1CC1 804302767 IHPPQRAUYIAHRY-LLVKDONJSA-N 259.306 -0.486 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CCCC12OCCO2 806808564 ICWOUMKBUJTIAM-SNVBAGLBSA-N 294.311 -0.357 50 20 CBGD CN1CCN(C(=O)NNC(=O)C[C@H]2CCOC2)CC1 807379383 YBBMMOKWVGLGQA-SNVBAGLBSA-N 270.333 -0.599 50 20 CBGD Cn1cncc1C(=O)NNC(=O)N=c1cc[nH]cc1 813573579 FDFKMLVAROKYHQ-UHFFFAOYSA-N 260.257 -0.297 50 20 CBGD Cn1cccc1C(=O)NNC(=O)C[C@@H]1CCC(=O)N1 816824436 ZEEFUQWBZNQVGG-QMMMGPOBSA-N 264.285 -0.545 50 20 CBGD CC[C@H](CO)N[C@H](C)C(=O)NNC(=O)CC(C)C 816831466 UIBNHUQYLWCKGN-NXEZZACHSA-N 259.350 -0.071 50 20 CBGD CN1CCCC[C@@H](C(=O)NNC(=O)C(C)(C)O)C1=O 822317040 MUNNKBFAUIFBPS-QMMMGPOBSA-N 271.317 -0.837 50 20 CBGD O=C(CN1CCOC1=O)NNC(=O)[C@@H]1CCCCO1 823236640 CVRZHWFMXRIEFS-QMMMGPOBSA-N 271.273 -0.845 50 20 CBGD CCN(CCO)NC(=O)c1nc2nc(C)cc(C)n2n1 823838907 XZDUTIWFZQYPRA-UHFFFAOYSA-N 278.316 -0.300 50 20 CBGD CC[C@@H](C(=O)NN(CC)CCO)N1CCCC1=O 823860311 PVNXVSRLXULSPF-JTQLQIEISA-N 257.334 -0.267 50 20 CBGD CC1=C(C(=O)NN(C)[C@H](C)CO)S(=O)(=O)CCO1 823946975 QJMABBRYPYKYOV-SSDOTTSWSA-N 278.330 -0.993 50 20 CBGD CCCCCS(=O)(=O)CC(=O)NN(C)[C@@H](C)CO 823959350 GUPSSDLRAOHRLT-JTQLQIEISA-N 280.390 -0.065 50 20 CBGD Cc1ccc(C(=O)NNC(=O)NC2CN(C(=O)O)C2)o1 830224841 AHNPNWQUAADKJL-UHFFFAOYSA-N 282.256 -0.106 50 20 CBGD CNc1nc(C)cc(C(=O)NNC(=O)C(C)(C)O)n1 830698398 ZQXKWQDXFKFRDA-UHFFFAOYSA-N 267.289 -0.641 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc(CO)cc1 832754635 NYJWEQODFYRMFG-UHFFFAOYSA-N 252.270 -0.289 50 20 CBGD COc1ncc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cn1 843653123 WDQIMSPANXCHLR-VXNVDRBHSA-N 280.284 -0.329 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843658750 VIJXPDMJNWSVDZ-VGMNWLOBSA-N 271.317 -0.527 50 20 CBGD O=C(CN1CCCCC[C@H]1CO)NNC(=O)C1CC1 847018790 ZFWRUYMVYLOKIV-NSHDSACASA-N 269.345 -0.219 50 20 CBGD NC[C@H]1CN(S(=O)(=O)CBr)CCO1 850586367 QGPXWVCCGSHKCP-LURJTMIESA-N 273.152 -0.672 50 20 CBGD O=C(CN(CCOCCO)C1CCC1)NNC(=O)C1CC1 852291368 VSWAGRSYGVSRTG-UHFFFAOYSA-N 299.371 -0.593 50 20 CBGD CN(C)S(=O)(=O)NCC(=O)NCC(Cl)Cl 854451241 WEQUXTHNMSSYHX-UHFFFAOYSA-N 278.161 -0.698 50 20 CBGD Cc1ncc2n1C[C@@H](C(=O)NNC(=O)c1cc[nH]n1)CC2 855355866 IRGMZSXGAMRBOT-VIFPVBQESA-N 288.311 -0.062 50 20 CBGD C#C[C@@H](CC)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858395920 SSUNTMHVWHGVRW-YUMQZZPRSA-N 252.274 -0.993 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2coc(C3CCC3)n2)N1 862458764 ISXDBIQRTAZJAL-MRVPVSSYSA-N 292.295 -0.018 50 20 CBGD C[C@@]1(CCC(=O)NNC(=O)c2cn[nH]c2)CCC(=O)N1 862470983 MKDVCORFRVOJRG-LBPRGKRZSA-N 279.300 -0.380 50 20 CBGD CCCCSCC(=O)NNC(=O)CS(C)(=O)=O 863458986 KLPXQDXDKZZGNN-UHFFFAOYSA-N 282.387 -0.288 50 20 CBGD CSC1(C(=O)NNC(=O)CS(C)(=O)=O)CCC1 863465930 ISEFFWWPJDZPNZ-UHFFFAOYSA-N 280.371 -0.536 50 20 CBGD O=C(c1cccc(B(O)O)c1)N(CCO)CC(F)F 863882168 YHTGMCRFWJAXIF-UHFFFAOYSA-N 273.044 -0.934 50 20 CBGD COc1nn(C)cc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 883972726 SMVOXDJVPWMRKP-SFYZADRCSA-N 282.300 -0.385 50 20 CBGD C=CC(=O)N(C)CC(=O)NNC(=S)NC(C)(C)C 899998932 ZVDQNGXTWUZRGR-UHFFFAOYSA-N 272.374 -0.075 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 910169610 FGEWZVSAQAFGBR-JQWIXIFHSA-N 283.372 -0.021 50 20 CBGD CCN1CCCN(C(=O)c2cccc(B(O)O)c2)[C@H](C)C1 910270222 OUYDTOUOUQRBEK-GFCCVEGCSA-N 290.172 -0.077 50 20 CBGD CC(C)C(=O)NNC(=O)CN[C@]1(C)CC(C)(C)OC1=O 930874833 TYJGVRJODPTLMH-CYBMUJFWSA-N 285.344 -0.136 50 20 CBGD Cn1nc(C(=O)NNC(=O)c2ccncc2)ccc1=O 1115812232 KAFMWRIIAQFALZ-UHFFFAOYSA-N 273.252 -0.750 50 20 CBGD CS(=O)(=O)CCNC(=O)NNc1ncncc1F 1117699441 YXFZVYRVOZCDOA-UHFFFAOYSA-N 277.281 -0.714 50 20 CBGD CCc1nnc(O)c(C(=O)N2CC[C@H](B(O)O)C2)c1CC 1118975000 KTJFPELSFDNOOB-QMMMGPOBSA-N 293.132 -0.004 50 20 CBGD CCc1ncc(NC(=O)C(=O)NNC(=O)CC2CC2)cn1 1320238962 DGWFPOGWLZSDDR-UHFFFAOYSA-N 291.311 -0.075 50 20 CBGD O=C(CCc1ncc[nH]1)NNC(=O)C(=O)N1CCCC1 1322859089 SNYHEDWKNBAZGW-UHFFFAOYSA-N 279.300 -0.888 50 20 CBGD O=C(CC[C@@H]1CCOC1)NNC(=O)Cc1cc[nH]n1 1325321096 JIJCWBXVLMLCEO-SECBINFHSA-N 266.301 -0.084 50 20 CBGD CNCCCNC(=O)NNc1nncc(N)c1Cl 1325323554 HDRUZQGZDKLXFP-UHFFFAOYSA-N 273.728 -0.052 50 20 CBGD CN(C)N(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCS(=O)(=O)C1 1326112463 ROFDEZSMMKALKY-JTQLQIEISA-N 296.352 -0.008 50 20 CBGD Cc1nc(O)[nH]c1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1326811491 FBSYOKANTBLUSY-RNFRBKRXSA-N 268.273 -0.390 50 20 CBGD Cc1nn(CCO)c(C)c1CN1CC[C@@H](B(O)O)C1 1329216266 WATXVQDCIAHVSC-LLVKDONJSA-N 267.138 -0.459 50 20 CBGD CN(C)N(C(=O)Cc1cnc[nH]1)[C@@H]1CCS(=O)(=O)C1 1334156500 REACBISYSXFECT-SNVBAGLBSA-N 286.357 -0.556 50 20 CBGD O=C(CNC(=O)C1CC1)NNC(=O)Cc1ccncc1 1339865695 HTPULHIGYIYBNJ-UHFFFAOYSA-N 276.296 -0.702 50 20 CBGD CC(C)C(CS(=O)(=O)N(C)C)=NNC(=O)CCO 1345367610 LNIOLFSUYRXOFJ-UHFFFAOYSA-N 279.362 -0.612 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H]1CCC[C@H]1C(=O)OC 1346244245 USAZOOCPMPLVKU-IVZWLZJFSA-N 285.344 -0.136 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)CC1(O)CNC1 1579787713 CYFZNBYDCGKFTE-UHFFFAOYSA-N 263.297 -0.520 50 20 CBGD CC(C)(C(=O)O)C(=O)NNC(=O)c1ccncc1 1588618572 UGYUVPWQBMTAEM-UHFFFAOYSA-N 251.242 -0.047 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(C(=O)O)CC1 1589418411 ZGIGHIQAUFNXAC-BQBZGAKWSA-N 256.258 -0.576 50 20 CBGD Cn1ccnc(NNC(=O)[C@H]2CC[C@H]2C(=O)O)c1=O 1594551409 CULBKYFPSXXUMB-NKWVEPMBSA-N 266.257 -0.666 50 20 CBGD CNS(=O)(=O)c1cccc(C(C)=NNC(=O)C(=O)O)c1 1598676728 KTMWSZTWKUTRLJ-UHFFFAOYSA-N 299.308 -0.481 50 20 CBGD CC(C)(O)C(=O)NNC(=O)C12CC(C(=O)O)(C1)C2 1603686316 RRZFOMKYVYMKPB-UHFFFAOYSA-N 256.258 -0.840 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 1610699377 WDDMIASCOVCKAQ-PRJMDXOYSA-N 283.284 -0.641 50 20 CBGD Cc1[nH]ncc1CCCNC(=O)NNC(N)=S 45539698 XZHFCTLSSSZELU-UHFFFAOYSA-N 256.335 -0.302 50 20 CBGD COC(=O)NCC(=O)NNC(=O)c1cccn1C 58840211 OMIDNWMKFPZLOA-UHFFFAOYSA-N 254.246 -0.858 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1ccc(=O)[nH]c1 61527368 LXVNXYLODDJUPH-UHFFFAOYSA-N 260.253 -0.212 50 20 CBGD COCCCOCC(=O)NNC(=O)c1cccn1C 179593491 VRKLFJFWBJGAFI-UHFFFAOYSA-N 269.301 -0.161 50 20 CBGD Cn1c(=O)ccn(CC(=O)NNc2ccccn2)c1=O 181250041 AEXMMRURZDFVHK-UHFFFAOYSA-N 275.268 -0.915 50 20 CBGD O=C(NNc1nccc(N2CCOCC2)n1)[C@@H]1CCCO1 268662075 XURLVTIALFYDNT-JTQLQIEISA-N 293.327 -0.065 50 20 CBGD CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NN(C)C(N)=O 291444562 MQRRWXXHZUDLFZ-ZETCQYMHSA-N 290.320 -0.432 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)c1cc(C)[nH]n1 367716427 DYEVOTKADWNJMK-SNVBAGLBSA-N 281.316 -0.800 50 20 CBGD O=S(=O)(CBr)NCCn1cnnc1 381744940 BZVAAAAWMHWVIN-UHFFFAOYSA-N 269.124 -0.450 50 20 CBGD CN(CCN1CCCC1)C(=O)c1ccc(B(O)O)cc1 584944357 SDOCGBNALZIYIW-UHFFFAOYSA-N 276.145 -0.466 50 20 CBGD CN(C[C@H]1CCCOC1)C(=O)c1ccc(B(O)O)cc1 584944968 UGGPYPAPTXFJFW-LLVKDONJSA-N 277.129 -0.135 50 20 CBGD C[C@H]1C[C@H](NC(=O)c2ccc(B(O)O)cc2)CCN1C 584950372 JJWQAHWZCVHTDA-GXFFZTMASA-N 276.145 -0.421 50 20 CBGD O=C(NC1CCS(=O)CC1)c1cccc(B(O)O)c1 584969245 KMNSJNIDINTHHR-UHFFFAOYSA-N 281.142 -0.993 50 20 CBGD CC(C)[C@H](NC(=O)c1ccc(B(O)O)cc1)c1ncon1 584983424 QPQFHGTXXKYSOB-NSHDSACASA-N 289.100 -0.124 50 20 CBGD CSC[C@H](CCO)NCc1ccc(B(O)O)cc1F 585028316 JASQKSQEPMHUDB-NSHDSACASA-N 287.165 -0.291 50 20 CBGD CO[C@]1(CNCc2cccc(B(O)O)c2)CCOC1 585035969 BFCDKOGCOLZRNE-ZDUSSCGKSA-N 265.118 -0.739 50 20 CBGD CCO[C@@H]1C[C@@](CO)(NCc2ccc(B(O)O)o2)C1(C)C 585036541 ICNCFJMLJOYFES-RISCZKNCSA-N 297.160 -0.385 50 20 CBGD O=S(=O)(CCCCF)N1CC[C@@H](B(O)O)C1 585055523 AMVVHCYJWAYBBQ-MRVPVSSYSA-N 253.104 -0.385 50 20 CBGD CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NCB(O)O 585059383 LPQQPLIUVSALBV-SGDMMICCSA-N 286.162 -0.628 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCCOC1 727728939 UNXHCJIYJUOFED-QMMMGPOBSA-N 257.290 -0.915 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](OCCO)C1 734485538 MFYGAOJZDXHKRX-QWRGUYRKSA-N 287.360 -0.594 50 20 CBGD CCC(COC)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 735972223 RCXNBFXWVKUJBJ-SECBINFHSA-N 277.346 -0.115 50 20 CBGD CC(C)(NC(=O)O)C(=O)NNC(=O)c1ccncc1 736336567 IXWQJKZINONXGV-UHFFFAOYSA-N 266.257 -0.111 50 20 CBGD CSCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 737179251 JYBPWNJXJYFZCB-UHFFFAOYSA-N 292.324 -0.009 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C[C@H](C)OC 740852047 IEYLHOKOERCERA-QMMMGPOBSA-N 273.333 -0.136 50 20 CBGD Cn1nc(C(=O)NNC(=O)N2CCOCC2)cc1C1CC1 742057938 KJJPKRVCMRPRFJ-UHFFFAOYSA-N 293.327 -0.016 50 20 CBGD CNC(=O)[C@@H]1CCCCN1CC(=O)NNC(=O)C(C)(C)C 744386966 JJYINBMLTGFQBO-JTQLQIEISA-N 298.387 -0.220 50 20 CBGD CC(C)C(=O)NNC(=O)NC[C@@H](C)CN1CCN(C)CC1 745861246 AUGQKVLMVQOSPK-GFCCVEGCSA-N 299.419 -0.144 50 20 CBGD CC(C)[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)N(C)C 755270155 YZOZYIXBDWDPOP-LLVKDONJSA-N 267.333 -0.314 50 20 CBGD CCNC(=O)NN=C1CCC2(CC1)NC(=O)NC2=O 758115446 DJXCQUXDMDCRRA-UHFFFAOYSA-N 267.289 -0.186 50 20 CBGD CCOC(=O)NCC(=O)NNc1ncc(F)cn1 760911845 IEGJTNQFZCYYSA-UHFFFAOYSA-N 257.225 -0.195 50 20 CBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc(C#N)c1 764203804 FWQUYFHOPUYYOU-UHFFFAOYSA-N 289.295 -0.794 50 20 CBGD COc1nccnc1NNC(=O)[C@@H](C)N1CCN(C)CC1 764469987 BCVVAAGTHDRLDP-SNVBAGLBSA-N 294.359 -0.436 50 20 CBGD COCCCNC(=O)NNS(=O)(=O)N1CC[C@@H](C)C1 777927854 PNSLEJYSDAQJLN-SECBINFHSA-N 294.377 -0.587 50 20 CBGD NC(=O)c1cccc(C(=O)NNC(=O)c2cccnc2)n1 781931087 WGRDRBYULXEBJH-UHFFFAOYSA-N 285.263 -0.350 50 20 CBGD CC[C@H]1CC[C@@H](C(=O)NNC(=O)N2CCN(C)CC2)O1 788165642 FFDGILKRBXOIEV-QWRGUYRKSA-N 284.360 -0.068 50 20 CBGD C=CCNC(=S)NNC(=O)c1n[nH]c(C)c1[N+](=O)[O-] 798305850 JKBFGEWIJWJCDE-UHFFFAOYSA-N 284.301 -0.079 50 20 CBGD Cn1nncc1C(=O)NNC(=O)COc1ccccc1F 798828342 ZBIQSKSSTLNRDY-UHFFFAOYSA-N 293.258 -0.206 50 20 CBGD COC(=O)N(C)NC(=O)CCn1ccccc1=O 804124887 IPNUTJWTKIKUBI-UHFFFAOYSA-N 253.258 -0.032 50 20 CBGD COc1cc(C)nc(NNC(=O)c2ncn(C)n2)n1 810464940 BUXHAXXKPACDOY-UHFFFAOYSA-N 263.261 -0.321 50 20 CBGD COCCN(C)NC(=O)c1cc(=O)c(OC)co1 816560495 QIXUJRLMDVIYFP-UHFFFAOYSA-N 256.258 -0.129 50 20 CBGD CCN(CCO)NC(=O)c1ccnc2c1ncn2C 823884702 GIXQJYDBZMBTBS-UHFFFAOYSA-N 263.301 -0.073 50 20 CBGD Cc1ccn(CC(=O)NN(C)[C@@H](C)CO)c(=O)c1 823929251 WRZQTELBKMMWAG-JTQLQIEISA-N 253.302 -0.499 50 20 CBGD Cc1ncc(C(=O)NNC(=O)[C@H]2CCCCO2)c(N)n1 833246964 VSXDZHCIGUEJTR-SECBINFHSA-N 279.300 -0.303 50 20 CBGD CS(=O)(=O)CCC(=O)NNc1ccc(C(=O)O)cn1 833738321 VKQLPVVNHRRMPL-UHFFFAOYSA-N 287.297 -0.342 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1NC(=O)O[C@@H]1C 843970877 MMDIAAZCRYMTMT-FKSUSPILSA-N 271.273 -0.944 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2nn[nH]c2n1 843972224 UGWVJSFLXIQRBG-NKWVEPMBSA-N 290.283 -0.461 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C#N)CC 845598511 OOLSAWRFXODMTI-MRVPVSSYSA-N 268.317 -0.012 50 20 CBGD COCCCNC(=O)NNC(=O)C[C@H](C)CC(=O)OC 847394000 TXJQBEFRAHNEGU-VIFPVBQESA-N 289.332 -0.057 50 20 CBGD O=C(NNC(=O)[C@@H](O)C1CC1)[C@@H]1COc2ccccc2O1 854180565 MZFQYFNZGIPODR-RYUDHWBXSA-N 292.291 -0.255 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ccsn2)CC1 854380995 BRYHKRDPMWWMOZ-UHFFFAOYSA-N 269.330 -0.255 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@]1(C2CCCC2)CCNC1=O 858908266 YVHKVEHTLJJKKK-CYBMUJFWSA-N 282.344 -0.015 50 20 CBGD Cc1cncc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862455977 LAFVYKPISNNMDW-VIFPVBQESA-N 262.269 -0.570 50 20 CBGD COC(=O)C1(C(=O)NNC(=O)c2cn[nH]c2)CC1 862470420 DLRAWSTXJMQPSU-UHFFFAOYSA-N 252.230 -0.876 50 20 CBGD Cc1cc(=NNC(=O)CCn2ncn(C)c2=O)cc[nH]1 862513482 GMQBHXCPYVLSIR-UHFFFAOYSA-N 276.300 -0.759 50 20 CBGD Cc1cccc2c1NC(=O)C2=NNC(=O)CS(C)(=O)=O 863188829 OVRYGPKOEYAYEK-UHFFFAOYSA-N 295.320 -0.188 50 20 CBGD COC(=O)[C@@](C)(NC(=O)c1ccc(B(O)O)cc1)C1CC1 863872420 GZSFBVGMLHNPSS-AWEZNQCLSA-N 291.112 -0.562 50 20 CBGD COC(=O)C1(O)CCN(S(=O)(=O)CCCCl)CC1 882036261 YHTPYTMEBJETLC-UHFFFAOYSA-N 299.776 -0.055 50 20 CBGD C[C@H]1CCCN1S(=O)(=O)NNC(=O)C1CCOCC1 882804959 GPGLZPNCNIESGJ-VIFPVBQESA-N 291.373 -0.237 50 20 CBGD CCNC(=O)CC(=O)NNC(=S)NC(C)(C)C 899996487 VTPYDCHIWMQUJX-UHFFFAOYSA-N 260.363 -0.194 50 20 CBGD C[C@@H](O)CN(C)NC(=O)C(C)(C)NC(=O)C(F)(F)F 910154257 YDNUQBHUJBYIIO-ZCFIWIBFSA-N 285.266 -0.213 50 20 CBGD C[C@H](O)CN(C)NC(=O)CNC(=O)c1cccs1 910183925 UWVKNNFHVJQBRW-QMMMGPOBSA-N 271.342 -0.178 50 20 CBGD CC(=O)NNC(=O)CNS(=O)(=O)c1ccc(C)c(C)c1 913173375 UONHDWHCZDIALZ-UHFFFAOYSA-N 299.352 -0.251 50 20 CBGD CN(C)CC1(C(=O)NNC(=O)CN2CCCC2=O)CC1 913733460 JWWOGAXIOGTYEL-UHFFFAOYSA-N 282.344 -0.902 50 20 CBGD COCCNC(=S)NNC(=O)c1cc(C)[nH]n1 1116289496 YDDADMVNBNJEGO-UHFFFAOYSA-N 257.319 -0.527 50 20 CBGD Cn1cnc(C(=O)NNc2nc3ccccn3n2)n1 1117680696 NYJQWYCNCLTJIJ-UHFFFAOYSA-N 258.245 -0.385 50 20 CBGD O=CN1CCC[C@H]1C(=O)NNC(=O)Cc1cccnc1 1118640599 LBNQNYHNZIBDTI-NSHDSACASA-N 276.296 -0.608 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)CC(F)(F)F)CN1 1118720743 GSUGHSSJGCQCOY-RXMQYKEDSA-N 267.207 -0.388 50 20 CBGD Cn1cc(C(=O)NNC(=O)Cc2ccccc2)nn1 1118721295 PCIDMXNYFAHALY-UHFFFAOYSA-N 259.269 -0.181 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1cnccn1 1261497597 FECQNWCVDZOCIJ-MWLCHTKSSA-N 278.312 -0.018 50 20 CBGD O=C(Cn1[nH]cc2c(=O)ncnc1-2)NNc1ncccn1 1318585691 UPHOFIYDPZNPMG-UHFFFAOYSA-N 286.255 -0.996 50 20 CBGD CC(C)C(=O)NNC(=O)NCc1nnnn1C1CC1 1318910008 PXVBUQSOAVSQAB-UHFFFAOYSA-N 267.293 -0.506 50 20 CBGD NS(=O)(=O)C1(C(=O)NNc2ncncc2Cl)CC1 1326517772 AAWCBRYQNRIEIU-UHFFFAOYSA-N 291.720 -0.606 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1nc(C)c(C)s1 1326719877 HRQXLAWWZDDOKU-UHFFFAOYSA-N 256.287 -0.134 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1CCc2nnnn2CC1 1326739149 KCUYGRNDDFTXIV-MRVPVSSYSA-N 297.388 -0.471 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)NC(C)=O 1327114898 WTTLPSYYAVLGBO-NKWVEPMBSA-N 273.289 -1.000 50 20 CBGD C[C@@H](CO[C@H]1CCOC1)NC(=O)NNC(=O)c1cn[nH]c1 1328788858 ICHTUSGCDXIJCG-WPRPVWTQSA-N 297.315 -0.452 50 20 CBGD Cc1cccc(C(=O)NNC(=O)NC[C@@H]2COCCN2)n1 1329054019 JPUBVZFPGJTMMR-SNVBAGLBSA-N 293.327 -0.678 50 20 CBGD COC(=O)C[C@H](N)C(=O)NNc1ccccc1[N+](=O)[O-] 1329239454 KNRLAEVBERGPHC-ZETCQYMHSA-N 282.256 -0.072 50 20 CBGD COCc1ncsc1C(=O)N1CC[C@H](B(O)O)C1 1329294019 VOUPFGSKUCPHSD-ZETCQYMHSA-N 270.119 -0.022 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNc1nnc(C)c(O)n1 1329746600 ABWNAWJNTZCRBT-UHFFFAOYSA-N 282.304 -0.509 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H]1CCCCNC1=O 1331510116 DAXODEVJZJGCLB-QMMMGPOBSA-N 280.288 -0.978 50 20 CBGD CO[C@H](C(=O)NNC(=O)C1CCOCC1)c1cnn(C)c1 1338187648 MZJZUBXJAVJJAT-NSHDSACASA-N 296.327 -0.318 50 20 CBGD CNC(=S)N(C)NC(=O)c1cc2n(n1)CCCC2=O 1339539443 MATQEJCUKTVJFA-UHFFFAOYSA-N 281.341 -0.060 50 20 CBGD C[C@@H](NC(=S)NNC(=O)C(=O)NC1CC1)C1CC1 1347774012 XWOLXPGEOKSELJ-ZCFIWIBFSA-N 270.358 -0.441 50 20 CBGD CCOCCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1348085985 LMDUHNKSJKJQOS-VIFPVBQESA-N 286.332 -0.588 50 20 CBGD O=C(CN1C(=O)CCC1=O)NNC(=O)C1CCC1 1348621380 SCPCPJJXZPJLTN-UHFFFAOYSA-N 253.258 -0.917 50 20 CBGD C[C@@H](C(=O)NNC(=O)[C@@H]1CCN1)N1CCCCCC1 1575068851 HRYYBXVVXHSQIV-QWRGUYRKSA-N 268.361 -0.240 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C12CC(CN1)C2 1575215557 KJRSCFBOHOZTMT-UHFFFAOYSA-N 298.343 -0.590 50 20 CBGD COC(=O)NNC(=O)[C@@H]1CO[C@@H](CCC(=O)O)C1 1593858127 GKWXKJGGEDKDEW-BQBZGAKWSA-N 260.246 -0.357 50 20 CBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=O)c1ccncc1 1593926742 MOSHVXPOTBCRAD-LLVKDONJSA-N 267.241 -0.668 50 20 CBGD O=C(Cc1ccccn1)NNC(=O)[C@H](C(=O)O)C1CC1 1594711513 YGSQNAITOHVCTA-LLVKDONJSA-N 277.280 -0.118 50 20 CBGD O=C(NNC(=O)[C@H](C(=O)O)C1CC1)[C@H]1C[C@H]2CC[C@H]1O2 1594778847 BLAVEPYCMVYZGD-UTINFBMNSA-N 282.296 -0.188 50 20 CBGD Cc1cccnc1CNC(=O)NNC(=O)C(=O)O 1600594078 ZETYVBLVZAZYDL-UHFFFAOYSA-N 252.230 -0.695 50 20 CBGD O=C(NC[C@H]1COc2ccccc21)NNC(=O)C(=O)O 1601488889 ZFNNOXFPHAGEEO-ZETCQYMHSA-N 279.252 -0.422 50 20 CBGD O=C(NCCCOC(F)F)NNC(=O)C(=O)O 1601499905 NXYNLDRXBAEXMX-UHFFFAOYSA-N 255.177 -0.969 50 20 CBGD O=C1C[C@@H](C(=O)NNc2ccc(C(=O)O)cn2)CCN1 1602630449 AGUOZWNYSAKOOK-ZETCQYMHSA-N 278.268 -0.251 50 20 CBGD CN(C)N(C(=O)CCl)[C@@H]1CCS(=O)(=O)C1 40537822 YLTRSRQVLBTFPZ-SSDOTTSWSA-N 254.739 -0.283 50 20 CBGD CN(C)C(=O)CNC(=O)NNC(=O)c1ccccc1F 43715091 ZFJXSEVDFQGLAB-UHFFFAOYSA-N 282.275 -0.142 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)NC1CCCC1 49430919 YSBVMKLKMIMCCA-UHFFFAOYSA-N 256.306 -0.262 50 20 CBGD O=CNc1ccc(C(=O)NNC(=O)N2CCOCC2)cc1 266841605 MVDAPPBZIOIBBK-UHFFFAOYSA-N 292.295 -0.059 50 20 CBGD Cc1n[nH]c(SCC(=O)NNC(=O)NC2CC2)n1 266880811 SSKVCZCNFRWZGV-UHFFFAOYSA-N 270.318 -0.302 50 20 CBGD CC[C@@H](CSC)NC(=O)NNC(=O)C(=O)NC1CC1 271711230 JNZOIPFFUVQWMB-ZETCQYMHSA-N 288.373 -0.263 50 20 CBGD O=C(C[C@H]1CCCC(=O)N1)NNC(=O)N1CCOCC1 291446108 GQIDZWLNGJSTSF-SECBINFHSA-N 284.316 -0.882 50 20 CBGD COC(=O)C[C@H](C)C(=O)NNC(=O)[C@@H]1CCCO1 292060725 COHCRLOXFZCPPV-YUMQZZPRSA-N 258.274 -0.488 50 20 CBGD NC(=O)CCCC(=O)NNC(=O)c1ccccc1O 299374320 RYXADFHRFDBORH-UHFFFAOYSA-N 265.269 -0.191 50 20 CBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)c1ccccn1 496187907 HTPLINKCPAZPNK-XPUUQOCRSA-N 264.241 -0.661 50 20 CBGD CCCN(CCO)C(=O)c1cccc(B(O)O)c1 584930883 FDVWBQGUHVFAPF-UHFFFAOYSA-N 251.091 -0.789 50 20 CBGD CC[C@H](C[C@@H](C)CO)NC(=O)c1cccc(B(O)O)c1 584962514 HVMQQMIUXVONHH-ZWNOBZJWSA-N 279.145 -0.107 50 20 CBGD COCC1(NC(=O)c2ccc(B(O)O)cc2)CCOCC1 584991542 CETMGQITWZPWDA-UHFFFAOYSA-N 293.128 -0.708 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2[C@H](C1)C2(F)F 585004948 SCVSTZZAEIQPPH-AOOOYVTPSA-N 267.040 -0.297 50 20 CBGD CC[C@H](CNCc1ccc(B(O)O)o1)N1CCCC1 585017344 ACPQRMHNETVREX-LLVKDONJSA-N 266.150 -0.077 50 20 CBGD CC(C)CN1C[C@@H](C(=O)N2CC[C@@H](B(O)O)C2)CC1=O 585077901 URMCOIRAPDXKNR-WDEREUQCSA-N 282.149 -0.434 50 20 CBGD O=C(Cc1cccnc1)NN=C1CCS(=O)(=O)C1 728786586 NZCDLZXLNPPBHH-UHFFFAOYSA-N 267.310 -0.085 50 20 CBGD O=C(NCCN1CCOCC1)NNC(=O)C1CCC1 732239202 UAOXEOHLLJCTFZ-UHFFFAOYSA-N 270.333 -0.551 50 20 CBGD COc1ccnc(NNC(=O)c2nonc2C)n1 733891541 QTJWKNJCCOCBOB-UHFFFAOYSA-N 250.218 -0.066 50 20 CBGD COc1ncc(C(=O)NNC(=O)c2c[nH]nc2C)cn1 733955049 AHRUULMMJLEBFF-UHFFFAOYSA-N 276.256 -0.408 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cnn(C)c1)n1cccn1 735444118 CGBGGMUNEYYNHA-QMMMGPOBSA-N 262.273 -0.361 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H](O)c1cccnc1 735516102 IMMMETCRWIJPHH-SNVBAGLBSA-N 275.268 -0.392 50 20 CBGD CC(C)N(CC(=O)O)CC(=O)NNC(=O)C1CC1 737635962 XGIKUQWVWHHISN-UHFFFAOYSA-N 257.290 -0.661 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)C)C(C)(C)CO 744408011 SHUDLJMJRUEDLA-UHFFFAOYSA-N 259.350 -0.117 50 20 CBGD CCOC(=O)c1c(C)[nH]c(C=NNC(=O)C(N)=O)c1C 744575188 HXAYOQGKONGPNY-UHFFFAOYSA-N 280.284 -0.256 50 20 CBGD CC(C)CC(=O)NNC(=O)NCCCS(C)(=O)=O 746516147 DAEDMEGGJZCZHT-UHFFFAOYSA-N 279.362 -0.202 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)C1CCC1 746852570 MRVXFHYPUWBNIO-SSDOTTSWSA-N 262.331 -0.385 50 20 CBGD O=C(CO)NNC(=O)c1cc(-c2ccncc2)on1 753437157 GBMCVSZCGJBCOW-UHFFFAOYSA-N 262.225 -0.510 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC12CCC2 758041021 URBDIIQRCOOLGY-HTQZYQBOSA-N 289.357 -0.738 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccsc1 764325199 FCTGPFSESGXXOC-UHFFFAOYSA-N 271.298 -0.130 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(CO)o1 772161440 WXQWZEBSFZXCJS-ZETCQYMHSA-N 284.268 -0.125 50 20 CBGD O=C(NNC(=O)c1nc[nH]n1)c1ccc([N+](=O)[O-])cc1 773256570 RVJCQMCNCNZTER-UHFFFAOYSA-N 276.212 -0.212 50 20 CBGD COCCCOCC(=O)NNC(=O)NCC(F)(F)F 775783161 FFPOJEXBWVZMTD-UHFFFAOYSA-N 287.238 -0.068 50 20 CBGD CC[C@H](CO)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 779580400 YWZQCOJTAMZKLX-SKDRFNHKSA-N 294.307 -0.008 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC(=O)N(C)C[C@H]1C 782579507 GOWUIAPGSTVXQE-GHMZBOCLSA-N 298.387 -0.269 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccn(C)n1 785677942 IMMNCBAYWQGFCE-SSDOTTSWSA-N 268.273 -0.477 50 20 CBGD Cn1nnc(CNC(=O)NNC(=O)c2ccccc2)n1 787437417 RKMDVNDJRCKLIS-UHFFFAOYSA-N 275.272 -0.646 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)ccn1 789917479 QFQTVNYXYCGBMF-UHFFFAOYSA-N 276.296 -0.227 50 20 CBGD C=CCNC(=S)NNC(=O)c1cc([N+](=O)[O-])cnc1N 798306128 VQSNIRLINNMDHD-UHFFFAOYSA-N 296.312 -0.133 50 20 CBGD CCNC(=O)NNC(=O)c1c[nH]c(C(=O)OC)c1 814626691 PZMIRHAKWJVRHB-UHFFFAOYSA-N 254.246 -0.235 50 20 CBGD O=C(NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1cccnc1 823277223 HCTJVFWVOKHJSA-UHFFFAOYSA-N 298.266 -0.335 50 20 CBGD CC1=C(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCN1C(C)C 827017353 ZSEDJGSJZZGHMR-NSHDSACASA-N 294.355 -0.200 50 20 CBGD CC(C)OCCS(=O)(=O)NNC(=O)[C@@H]1CCCCO1 830034329 PIVVGUNJOUXPDR-JTQLQIEISA-N 294.373 -0.069 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1 830596429 MLDVDUHMLABWRD-BDAKNGLRSA-N 271.317 -0.414 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H](C)CC(=O)O)n1 832881497 UVYJUTLBSKDYAN-SSDOTTSWSA-N 282.300 -0.242 50 20 CBGD C[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)N1CCOCC1 847403304 UQZUNPVZWSNGAJ-SECBINFHSA-N 281.316 -0.339 50 20 CBGD Cn1cnn(CCC(=O)NCC(Cl)Cl)c1=O 848384200 CEBFMTLWOIJOER-UHFFFAOYSA-N 267.116 -0.108 50 20 CBGD CNC(=S)N(C)NC(=O)CCN1CCOCC1 854925605 JTZXFFFEXPGWCN-UHFFFAOYSA-N 260.363 -0.824 50 20 CBGD CNC(=S)N(C)NC(=O)C12CC(C(=O)OC)(C1)C2 854927675 OBDNBMVUPJIXCK-UHFFFAOYSA-N 271.342 -0.203 50 20 CBGD O=C(NNC(=O)[C@@H](O)C1CC1)c1cccc(F)n1 856426659 DDOYSLSOXFECHG-VIFPVBQESA-N 253.233 -0.247 50 20 CBGD COC(=O)COCCNC(=O)NNC(=O)c1ccccc1 858117191 DAESHIQTJNTXJZ-UHFFFAOYSA-N 295.295 -0.180 50 20 CBGD COC(=O)c1cnn(CC(=O)NNC(=O)CC(C)C)c1 858284207 CNUKYARCMZHVNK-UHFFFAOYSA-N 282.300 -0.137 50 20 CBGD CCOC[C@H]1CN(CC(=O)NNC(=O)C2CC2)CCO1 859772592 RMLPPCFIKDJELH-LLVKDONJSA-N 285.344 -0.719 50 20 CBGD Cc1c(CCC(=O)NNC(=O)c2cn[nH]c2)cnn1C 862472647 POZLICJEYOQMGW-UHFFFAOYSA-N 276.300 -0.155 50 20 CBGD O=C(NCCN1CCCC1)c1cc(B(O)O)ccc1F 864611409 FKOFRTJRZCOAKS-UHFFFAOYSA-N 280.108 -0.669 50 20 CBGD C[C@@H](O)CN(C)NC(=O)COCc1ccnn1C 910156841 MVVNSACJWLKHAN-SECBINFHSA-N 256.306 -0.720 50 20 CBGD COC(=O)c1ccc(C=NNC(=O)C(=O)NC2CC2)o1 915956107 QEVQBENVXXRAPD-UHFFFAOYSA-N 279.252 -0.205 50 20 CBGD O=C1CSC[C@@H](C(=O)NN=c2cc[nH]cc2)N1 935292407 JHYJURURNUASLS-QMMMGPOBSA-N 252.299 -0.822 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1cnc2c(cnn2C)c1 1116658394 KUCZGKWBZFALFF-UHFFFAOYSA-N 298.328 -0.567 50 20 CBGD Cc1cc(Cl)ncc1NC(=O)C(=O)NNC(=O)CO 1254906070 ZNIWFFFDLXXZCF-UHFFFAOYSA-N 286.675 -0.878 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C 1322247843 DMSOOCRMJPBXFV-IWSPIJDZSA-N 299.327 -0.307 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 1323596717 IRTIRDVGJQCQEE-UHFFFAOYSA-N 296.308 -0.350 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1C[C@@H](OC)C12CCC2 1326786352 JIUSHSDFAPZSNK-JGVFFNPUSA-N 285.300 -0.553 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CCc2nnc(C)n2C1 1330862754 OBOQUHRMEFNYHH-MRVPVSSYSA-N 282.373 -0.384 50 20 CBGD Cn1nc(C(=O)NNc2ncncc2F)cc1O 1331423510 APHMTVJCHICTLA-UHFFFAOYSA-N 252.209 -0.188 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](S(C)(=O)=O)C1 1344611911 RVHDONMJONTLQD-DTWKUNHWSA-N 291.373 -0.949 50 20 CBGD COCC[C@@H](N)C(=O)NNC(=O)Cc1ccncc1 1573977717 IMCUBBPLLUEJBA-SNVBAGLBSA-N 266.301 -0.865 50 20 CBGD CC(C)[C@@H](C(=O)NNC(=O)c1ncon1)[C@H](C)N 1575415565 UAXBNVQBFLTGFR-NKWVEPMBSA-N 255.278 -0.550 50 20 CBGD CC1(C)[C@@H](N)C[C@@H]1C(=O)NNC(=O)c1cc[nH]n1 1576371129 JCMFZCOYFGZZBT-SVRRBLITSA-N 251.290 -0.456 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C1(C(=O)O)CC1 1589512635 KAQVIWYJJXMXQL-UHFFFAOYSA-N 285.300 -0.697 50 20 CBGD C[C@@]1(C(=O)N[C@@H](CO)C(=O)O)C[C@H]1Br 1593755675 URLNDXUXKVHSOE-CPDSJTNBSA-N 266.091 -0.278 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H](N)CCC(=O)O)n1 1599394594 PUPOEDFUWDEMNG-SSDOTTSWSA-N 283.288 -0.571 50 20 CBGD O=C(O)CCCCC(=O)NNC(=O)c1ccnnc1 1601982178 BZJRCRVBDVZBAJ-UHFFFAOYSA-N 266.257 -0.117 50 20 CBGD CNC(=S)N(C)NC(=O)c1cccc(-c2nn[nH]n2)n1 1604893074 XPGQCHGMQZHADK-UHFFFAOYSA-N 292.328 -0.657 50 20 CBGD O=C(CN1CCC[C@H](C(=O)O)C1=O)NNC(=O)C1CCC1 1608330285 MQUTZVILJCJDGN-VIFPVBQESA-N 297.311 -0.743 50 20 CBGD CC(C)C(=O)NNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 40563886 DXSMMBVZSHEYMK-UHFFFAOYSA-N 290.279 -0.367 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)c2n[nH]c(O)n2)cc1 61633143 YHZWPNLBANMCEO-UHFFFAOYSA-N 272.224 -0.543 50 20 CBGD CCC(=O)N1CC[C@@H](C(=O)NNC(=O)NCC2CC2)C1 133749039 ORLSMAMJWTUYPJ-SNVBAGLBSA-N 282.344 -0.015 50 20 CBGD NC(=O)[C@H]1CN(CCI)CCO1 190847947 ONDWHGGJELBPIW-ZCFIWIBFSA-N 284.097 -0.393 50 20 CBGD COC(=O)NNC(=O)CS(=O)(=O)CC(C)C 274176138 CBDGXFPLMHFMER-UHFFFAOYSA-N 252.292 -0.556 50 20 CBGD CC#CCCCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 274400732 SJXMZGNGAFEOBE-SECBINFHSA-N 289.357 -0.735 50 20 CBGD COC(=O)NCCC(=O)NNC(=O)c1ccccc1O 491272530 FAFSIDNXOWGWES-UHFFFAOYSA-N 281.268 -0.101 50 20 CBGD CC(C)(C)OC(=O)NNS(=O)(=O)N1CCOCC1 495444312 XPPCCRWTGSATQT-UHFFFAOYSA-N 281.334 -0.407 50 20 CBGD N#CCCN(C(=O)c1ccc(B(O)O)cc1)C1CC1 584934587 SXIGWLWZNHVLQT-UHFFFAOYSA-N 258.086 -0.115 50 20 CBGD CCCc1nc(=NC(=O)c2ccc(B(O)O)cc2)s[nH]1 584939396 HQWFIMFRFJZXPP-UHFFFAOYSA-N 291.141 -0.155 50 20 CBGD CCN1CCCN(C(=O)c2cccc(B(O)O)c2)CC1 584941293 IARKBSUHSVRYAE-UHFFFAOYSA-N 276.145 -0.466 50 20 CBGD CC(C)[C@H](O)CCNC(=O)c1cc(B(O)O)ccc1F 584952580 VFSAFZXGDSCNHG-GFCCVEGCSA-N 283.108 -0.358 50 20 CBGD C[C@@]1(CNC(=O)c2cc(B(O)O)ccc2F)CCCO1 584958385 RSRKCKJOCYWDGX-ZDUSSCGKSA-N 281.092 -0.196 50 20 CBGD C[C@]1(CO)CCC[C@@H]1NC(=O)c1cccc(B(O)O)c1 584962659 OTERTOKEIPCXTH-GXTWGEPZSA-N 277.129 -0.353 50 20 CBGD O=C(N[C@H]1CCO[C@H]1C1CC1)c1cc(B(O)O)ccc1F 584968640 ZTPATKYXDCDSJH-STQMWFEESA-N 293.103 -0.197 50 20 CBGD O=C(N[C@H]1CCC[C@@H]1CCO)c1cccc(B(O)O)c1 584974298 NHLSHVVRDLXXGI-MFKMUULPSA-N 277.129 -0.353 50 20 CBGD C=CCN(C(=O)c1cc(B(O)O)ccc1F)[C@H]1CCOC1 584981422 VTQSTQFKRZUZFH-NSHDSACASA-N 293.103 -0.077 50 20 CBGD C[C@@H]1NC(=O)CC[C@@H]1CNC(=O)c1cccc(B(O)O)c1 585002237 QXDMAFBWELUZEK-GXSJLCMTSA-N 290.128 -0.989 50 20 CBGD NC(=O)CC1(CNCc2ccccc2B(O)O)CC1 585047449 CCTQFYAXPFTRMT-UHFFFAOYSA-N 262.118 -0.888 50 20 CBGD CC(C)[C@@H](NC(=O)O)C(=O)NNC(=O)NC1CC1 736373870 GYIMMCPTQCQLMX-SSDOTTSWSA-N 258.278 -0.229 50 20 CBGD CCc1nncn1CCNC(=O)NNC(=O)C1CCC1 743700288 ZDZJNPZTQXCHND-UHFFFAOYSA-N 280.332 -0.029 50 20 CBGD CSCCNC(=S)NNC(=O)[C@H]1COCCO1 752762833 HXSMPLDNXZSFAJ-SSDOTTSWSA-N 279.387 -0.740 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1cc(C(=O)OC)co1 753964473 QCJJKBJFOPOIRW-UHFFFAOYSA-N 291.285 -0.421 50 20 CBGD CNC(=O)c1ccc(OC)c(NC(=O)NNC(=O)CO)c1 755920390 YDRFIPUYVIRPIW-UHFFFAOYSA-N 296.283 -0.800 50 20 CBGD CC(C)C(=O)NNC(=O)c1csc(S(N)(=O)=O)c1 761452380 VBFGEWGKNZQSSG-UHFFFAOYSA-N 291.354 -0.188 50 20 CBGD CC(C)[C@H](F)C(=O)NNC(=O)CNC(=O)c1cccnc1 784153795 DGXKHXDDVIWPOZ-NSHDSACASA-N 296.302 -0.047 50 20 CBGD C[C@H](NCC(=O)NNC(=O)C1CC1)c1nnnn1C1CC1 792474557 JXQJGPBCAUSNJX-ZETCQYMHSA-N 293.331 -0.784 50 20 CBGD CO[C@@H](C(=O)NNC(=O)NCC1CC1)c1cnn(C)c1 798932212 TUXDEVBNZVEYIT-SNVBAGLBSA-N 281.316 -0.152 50 20 CBGD C[C@H]1CCNC(=O)[C@@H]1NCC(=O)NNC(=O)C(C)(C)C 799346308 ISKSHWZPAALKHC-WCBMZHEXSA-N 284.360 -0.706 50 20 CBGD CO[C@@H]1CCC[C@H](C(=O)NNC(=O)CN(C)C)C1 825708308 FLYKBIYBJMGKIS-VHSXEESVSA-N 257.334 -0.099 50 20 CBGD C[C@H]1SCC[C@@H]1NC(=O)NNC(=O)C(=O)NC1CC1 828525453 RJYWRVOVVZJCDR-SVRRBLITSA-N 286.357 -0.511 50 20 CBGD CC(=O)NNC(=O)C1(n2cnnn2)CCCCC1 845071902 HECJBDZYKQAGAX-UHFFFAOYSA-N 252.278 -0.500 50 20 CBGD NS(=O)(=O)C1(C(=O)NNc2cccc(F)n2)CC1 846140167 HZGZOYWEKNEMQB-UHFFFAOYSA-N 274.277 -0.515 50 20 CBGD O=C(/C=C/[C@H]1CCOC1)NNC(=O)c1cc[nH]n1 855354953 OERNXVAMQFELGK-CMLYIYFCSA-N 250.258 -0.237 50 20 CBGD CN(C)C1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCC1 858380376 CPCQSCBCPUGEJX-VIFPVBQESA-N 297.359 -0.920 50 20 CBGD CC[C@@](C)(CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)OC 858514294 PONLZCNIUJEDOC-PELKAZGASA-N 286.332 -0.590 50 20 CBGD C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)[C@H]1C 858935575 NMJFOWYIJLTHQC-MMWGEVLESA-N 297.355 -0.184 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccnn1 862095340 XMJIJBDYCPGBFB-YUMQZZPRSA-N 250.258 -0.337 50 20 CBGD C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)[C@H]1C 862463408 CLKFJUOJXPQTLS-CQKCGHAMSA-N 283.328 -0.528 50 20 CBGD CC(C)(C(=O)NNC(=O)c1cn[nH]c1)N1CCOCC1 862470711 VCGFCVAIOPSDME-UHFFFAOYSA-N 281.316 -0.719 50 20 CBGD COCC(=NNC(=O)[C@@H]1CCC(=O)N1)C1CCOCC1 863152831 HCLJKQRLHQXGFK-JTQLQIEISA-N 283.328 -0.190 50 20 CBGD N#CSCCCNC(=O)c1cccc(B(O)O)c1 863880726 FSEVXCJGUDNANO-UHFFFAOYSA-N 264.115 -0.299 50 20 CBGD CC(C)S(=O)(=O)CCNCc1ccc(B(O)O)cc1 863890205 PFVCKDIHNAATAL-UHFFFAOYSA-N 285.174 -0.721 50 20 CBGD CCN1CC[C@H](NC(=O)NNC(=O)[C@H]2CCCCO2)C1=O 868838787 QMXWSRMICGSPSY-VHSXEESVSA-N 298.343 -0.493 50 20 CBGD C=CC(=O)N(CC)CC(=O)NN(C)C(=O)NCC 907253363 UDFRQWDLZJELJX-UHFFFAOYSA-N 256.306 -0.287 50 20 CBGD C[C@H](O)CN(C)NC(=O)/C(C#N)=C/c1cnn(C)c1 910145239 RMQACMZOHGHKKI-AXNBSVLLSA-N 263.301 -0.329 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(F)cc2)N1 912794881 VLXIXPSKJHYSHQ-VIFPVBQESA-N 265.244 -0.135 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@H](O)C1CCCCC1 913732002 DRRWKJBAUUBHLS-CYBMUJFWSA-N 297.355 -0.303 50 20 CBGD COC[C@@H](C)NC(=S)NNC(=O)C1CCOCC1 920242762 LZTJTBLAJZLNQP-MRVPVSSYSA-N 275.374 -0.057 50 20 CBGD COCCCNC(=O)NNC(=O)c1cc(C)nn1C 920862703 WOGLGJQSJAPSCJ-UHFFFAOYSA-N 269.305 -0.291 50 20 CBGD CCCS(=O)(=O)CC(=O)NNC(=S)NC(C)C 1115886457 QCRWPPJXURCQNB-UHFFFAOYSA-N 281.403 -0.285 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H](C)c1c(C)noc1C 1253536841 XWFZWYIRXLAPPJ-LURJTMIESA-N 298.299 -0.102 50 20 CBGD C=Cn1cc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)cn1 1320993203 FRSQFXVPIYPOBE-JTQLQIEISA-N 282.325 -0.132 50 20 CBGD CC(C)NC(=S)NNC(=O)C(C)(C)S(C)(=O)=O 1322787715 ISVIMUXKGJFUDQ-UHFFFAOYSA-N 281.403 -0.287 50 20 CBGD Nc1ncccc1C=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1323965260 XSGVIHOIHCGBTR-SECBINFHSA-N 282.325 -0.451 50 20 CBGD CN(NC(=O)CCc1nc(N(C)C)no1)C(N)=O 1324264321 ADZNRMFVXAHYRA-UHFFFAOYSA-N 256.266 -0.890 50 20 CBGD O=C(NNc1ncc(F)cn1)[C@H]1CCCS(=O)(=O)C1 1327292714 YDZDQDQSGJTDGC-ZETCQYMHSA-N 288.304 -0.116 50 20 CBGD Cn1nnc2c1CC[C@@H](NC(=O)NNc1cccnn1)C2 1327710843 ICWYKZCLNDKRQB-MRVPVSSYSA-N 288.315 -0.211 50 20 CBGD C[C@@H](CN)NC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br 1329570252 GAKCSTACIGQABP-BYULHYEWSA-N 292.177 -0.261 50 20 CBGD CC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](B(O)O)C2)C1 1329670923 GHCLYXKPXGGKAS-WDEREUQCSA-N 268.122 -0.680 50 20 CBGD O=C1CC[C@]2(C(=O)N3CC[C@H](B(O)O)C3)SCCN12 1329672555 QRZQZZWKZCTJIH-GZMMTYOYSA-N 284.146 -0.873 50 20 CBGD O=C1NCCC[C@@H]1C(=O)NNC(=S)Nc1ccccn1 1329867740 VUZMENHDKIQYFP-QMMMGPOBSA-N 293.352 -0.075 50 20 CBGD Cc1cnccc1CC(=O)NNC(=O)[C@H]1CCC(=O)N1 1331803471 OCPPIGOFGGPDAB-SNVBAGLBSA-N 276.296 -0.641 50 20 CBGD Cn1ccc(C(=O)NNc2ncnc3[nH]cnc23)cc1=O 1339395519 CGGJTGVTNJUVOR-UHFFFAOYSA-N 285.267 -0.192 50 20 CBGD COC(=O)N1CCC(C(=O)NNc2nc[nH]n2)CC1 1347987896 KFBIXNDOKVAUOC-UHFFFAOYSA-N 268.277 -0.274 50 20 CBGD Cc1c(C(=O)NNC(=O)C2CCOCC2)cc(CN)n1C 1579526776 WZNRNSUJXDGROY-UHFFFAOYSA-N 294.355 -0.020 50 20 CBGD C=C[C@H](NNC(=O)c1ccc(=O)n(C)c1)C(=O)O 1588699874 AETJJOCELSZMKI-QMMMGPOBSA-N 251.242 -0.741 50 20 CBGD Cc1csc(C(=O)NNC(=O)COCC(=O)O)c1 1594435462 FXBUARNOZGTQRH-UHFFFAOYSA-N 272.282 -0.081 50 20 CBGD Cc1c([C@@H](C)NC(=O)NNC(=O)C(=O)O)cnn1C 1600008626 LEJRANWCMUHWSB-RXMQYKEDSA-N 269.261 -0.795 50 20 CBGD O=C(CCO)NN=Cc1nc(-c2nn[nH]n2)cs1 1606523881 JAYSURPYQREYRI-UHFFFAOYSA-N 267.274 -0.844 50 20 CBGD C[C@H]1[C@@H](C(=O)O)CCN1CC(=O)NNC(=O)C1CC1 1609832108 GWLOELXCICCYKZ-CBAPKCEASA-N 269.301 -0.661 50 20 CBGD CNC(=O)NNC(=O)c1cccc(S(=O)(=O)NC)c1 56370849 YHORIVYQEDAKRQ-UHFFFAOYSA-N 286.313 -0.832 50 20 CBGD Cc1nn(C)c(C)c1OCC(=O)NNC(=O)N(C)C 127834569 OIYYHEQJWPWCLD-UHFFFAOYSA-N 269.305 -0.282 50 20 CBGD CCNC(=O)NNC(=O)CS(=O)(=O)CC(C)C 139165669 UDGRCXNYIGPVLP-UHFFFAOYSA-N 265.335 -0.593 50 20 CBGD CN(NC(=O)[C@H]1CN(Cc2ccccc2)CCO1)C(N)=O 181071275 BLOCZRLAILHLAQ-GFCCVEGCSA-N 292.339 -0.071 50 20 CBGD CN1C[C@H](C(=O)NNC(=O)Cc2cccnc2)CC1=O 264039769 QZGDHDWABXVXCS-SNVBAGLBSA-N 276.296 -0.750 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CN(Cc2ccccc2)CCO1 376879787 JBMCLPKNDPHRLG-GFCCVEGCSA-N 293.323 -0.973 50 20 CBGD C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1cccc(B(O)O)c1 584958007 NTIGIDNRYPVOOO-GXFFZTMASA-N 293.128 -0.710 50 20 CBGD C[C@@H]1CC[S@](=O)CCN1C(=O)c1cccc(B(O)O)c1 584982276 JRFXHKMWNMUHJG-SBKAZYGRSA-N 295.169 -0.651 50 20 CBGD COCC(C)(C)N(C)C(=O)c1ccc(B(O)O)cc1 584993090 VXUKOHQKZPLSMH-UHFFFAOYSA-N 265.118 -0.137 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H]2CC[C@H]2C1 585007160 KSFZQYBRUPCDFC-UWVGGRQHSA-N 263.077 -0.013 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1F)C(=O)NC(C)(C)C 585021896 FDSSRRATRLZTJI-VIFPVBQESA-N 296.151 -0.102 50 20 CBGD C[C@@H](CS(C)(=O)=O)NCc1ccc(B(O)O)cc1F 585023631 KHPMKOYVDLSTOT-QMMMGPOBSA-N 289.137 -0.972 50 20 CBGD CCO[C@@H](CCN(C)C)CNCc1ccccc1B(O)O 585033668 ISQVNKDFWKNMQR-AWEZNQCLSA-N 294.204 -0.187 50 20 CBGD C[C@H]1[C@@H](NCc2ccccc2B(O)O)CCCN1C 585033964 DFYASEZGRWUCIB-FZMZJTMJSA-N 262.162 -0.061 50 20 CBGD O=C(NCB(O)O)c1cc(Cl)c2c(c1)OCO2 585057839 LPPSZAXZYHJTQD-UHFFFAOYSA-N 257.438 -0.190 50 20 CBGD CCc1nn(C)c(N2CC[C@H](B(O)O)C2)c1[N+](=O)[O-] 585074576 ZSSJYHINYGYPJQ-ZETCQYMHSA-N 268.082 -0.056 50 20 CBGD NC(=O)CNC(=S)NNC(=O)Cc1ccc(F)cc1 727067752 JBHZWQZRZCXUKO-UHFFFAOYSA-N 284.316 -0.651 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)Cn2nc(C)cc2C)CC1 727764936 WCLSGHKSRNSODV-UHFFFAOYSA-N 293.327 -0.826 50 20 CBGD CN1CCN(CC(=O)NNC(=O)OC(C)(C)C)CC1 732259996 NBLQDCGJWXCZFN-UHFFFAOYSA-N 272.349 -0.210 50 20 CBGD CN1CCC[C@H]1C(=O)NNC(=O)N1CCOCC1 733869779 KDMIPDNSHPLVOX-VIFPVBQESA-N 256.306 -0.846 50 20 CBGD COc1nc2sccn2c1C=NNC(=O)C(N)=O 744575664 VHXSGXVIPTWLMS-UHFFFAOYSA-N 267.270 -0.660 50 20 CBGD Cc1ncc(CO)c(C=NNC(=O)N2CCOCC2)c1O 745590943 LNOOBISZWMNUKV-UHFFFAOYSA-N 294.311 -0.036 50 20 CBGD O=C(CNC(=O)c1ccco1)NN=C1CCS(=O)(=O)C1 750937171 STBSHLOJJOGPQN-UHFFFAOYSA-N 299.308 -0.700 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H](C)CO[C@@H]1CCOC1 753949347 ZLWJLPQXSVEKHT-NXEZZACHSA-N 289.332 -0.453 50 20 CBGD CC1CC(C#N)(C(=O)NNC(=O)C(=O)NC2CC2)C1 758156103 UNKOUWREVFPMMN-UHFFFAOYSA-N 264.285 -0.648 50 20 CBGD CC[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@H]1O 761129428 ZKFOCDXUVMHISX-WCBMZHEXSA-N 255.318 -0.754 50 20 CBGD CCNC(=O)NNC(=O)C1=NN(CC(C)C)C(=O)CC1 766641440 YYNUEVRHOYKEHO-UHFFFAOYSA-N 283.332 -0.029 50 20 CBGD CSCCNC(=S)NNC(=O)[C@H]1CCC(=O)NC1 770245292 DTBIPYXCGAJBEI-ZETCQYMHSA-N 290.414 -0.629 50 20 CBGD CCCNC(=O)NNC(=O)[C@H]1CCCCS1(=O)=O 772451651 WTGROSAJEWHEFL-MRVPVSSYSA-N 277.346 -0.306 50 20 CBGD CN(C)C(=O)Cn1cc(C(=O)NCCCSC#N)nn1 773587496 WOFAZPXLESKMQE-UHFFFAOYSA-N 296.356 -0.300 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1cnn(CC)c1 781418208 MIHIHZIRGWGONZ-SECBINFHSA-N 296.327 -0.065 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCCN1C1CC1 786731256 GVPNAZUAJUDLRT-JTQLQIEISA-N 282.344 -0.715 50 20 CBGD CC[C@@H](C(=O)NNC(=O)N=c1cc[nH]cc1)N(C)C 802025028 PDQVLMQSRVZTEZ-JTQLQIEISA-N 265.317 -0.004 50 20 CBGD CC(C)C(=O)NNS(=O)(=O)N=S1(=O)CCCC1 821127240 FQDUINRURKMTGB-UHFFFAOYSA-N 283.375 -0.230 50 20 CBGD CCN(CCO)NC(=O)CN(C)[C@@H]1CCSC1 823869306 HPKOIYRNPAHYTG-SNVBAGLBSA-N 261.391 -0.231 50 20 CBGD CCN(CCO)NC(=O)c1nnc2ccccc2n1 823879158 GIKCZPCIOLOUCY-UHFFFAOYSA-N 261.285 -0.016 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1COc2ccc(O)cc2O1 823893406 IJOMQVZDZYOORK-LBPRGKRZSA-N 282.296 -0.123 50 20 CBGD CCC(=O)N1CC[C@H](C(=O)NN(C)[C@@H](C)CO)C1 823946298 GWNLODQZIZRPJP-UWVGGRQHSA-N 257.334 -0.411 50 20 CBGD C[C@H](CO)N(C)NC(=O)CSc1nnnn1C1CC1 823976408 CMIFWJUQGOAYFL-SSDOTTSWSA-N 286.361 -0.556 50 20 CBGD C[C@H](C#N)CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 826880285 SGLPPNCVMWOQLD-VGMNWLOBSA-N 254.290 -0.099 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@](O)(CC#N)C1 829992197 TXDVDOHPODOORY-CYBMUJFWSA-N 282.344 -0.470 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@@H]2COC(=O)N[C@H]2C1 830905715 JUCLABRXSVXBOI-ZJUUUORDSA-N 298.343 -0.780 50 20 CBGD CCOC(=O)[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 834853122 OSJSBSHDAHLGQX-NSHDSACASA-N 291.112 -0.608 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnsn1 843648063 VUMMNXMAGUWDFS-RITPCOANSA-N 256.287 -0.276 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc2ncnn12 843659022 TWHFOINMOJNWMA-RKDXNWHRSA-N 289.295 -0.085 50 20 CBGD COCCCOCCC(=O)NNC(=O)c1ccnnc1 854968836 OBNRRWPFAQYVRT-UHFFFAOYSA-N 282.300 -0.319 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2nccn2C1)c1cc[nH]n1 855356072 LDBFAMJMPIFRTF-QMMMGPOBSA-N 274.284 -0.370 50 20 CBGD CC1(C)OCC(C)(C(=O)NNC(=O)c2cc[nH]n2)CO1 855357104 AFMSSFYVFHHXJU-UHFFFAOYSA-N 282.300 -0.040 50 20 CBGD C=CC[C@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858230403 XPDDEMRGJZJNFH-YUMQZZPRSA-N 254.290 -0.440 50 20 CBGD COC(=O)N(C)CCCC(=O)NNC(=O)c1cn[nH]c1 862472384 YIECOIOHUBCAMP-UHFFFAOYSA-N 283.288 -0.351 50 20 CBGD Cc1cc(NNC(=O)[C@@H](NC=O)C(C)C)ncn1 863875410 VVYPYMNMWZLKBZ-JTQLQIEISA-N 251.290 -0.001 50 20 CBGD CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1cccc(B(O)O)c1 863879682 XYLOSLYZNJBGPM-UWVGGRQHSA-N 293.128 -0.316 50 20 CBGD Cc1ccn(C[C@@H](C)C(=O)N2CC[C@@H](B(O)O)C2)n1 864231431 MUAPEQHWXZXZKC-MWLCHTKSSA-N 265.122 -0.097 50 20 CBGD CN(C)N(C(=O)C1CSC1)[C@H]1CCS(=O)(=O)C1 868435082 QJLJNBZLDHOXHX-VIFPVBQESA-N 278.399 -0.158 50 20 CBGD CN(N=Cc1cn(C[C@H]2CCCO2)nn1)C(N)=O 872361358 XQXOUQVNRUXXIZ-SECBINFHSA-N 252.278 -0.199 50 20 CBGD COC(=O)NNC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F 878000945 NUHHPBZQPHHSGI-CRCLSJGQSA-N 283.206 -0.312 50 20 CBGD C[C@@]1(C(=O)NNC(=O)c2cccnn2)CCOC1 882057297 SWFBFWDIDUHINA-LLVKDONJSA-N 250.258 -0.336 50 20 CBGD O=S(=O)(CCCCl)N[C@H]1CCc2nnnn2CC1 882273905 XWJPXGKTZWCJQG-QMMMGPOBSA-N 293.780 -0.074 50 20 CBGD C[C@@]1(C(=O)NNC(=O)CN2CCCC2=O)CC1(F)F 913733649 QHJMQLNFLSQPKU-JTQLQIEISA-N 275.255 -0.199 50 20 CBGD NC(=O)c1c[nH]c(C(=O)NNC(=O)NCC(F)(F)F)c1 1116895898 DZPOVKHXICAYKO-UHFFFAOYSA-N 293.205 -0.380 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCCN(C(N)=O)C1 1119048127 VFYCOJXVZVLFHA-RKDXNWHRSA-N 258.322 -0.879 50 20 CBGD Cc1ccnc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 1119084607 XYZXHWYRNZKGOX-JTQLQIEISA-N 291.311 -0.501 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)n1cc(CCCOC)nn1 1119335346 KMTFFPBXDPUZRG-SECBINFHSA-N 283.332 -0.025 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CN2CCN1C[C@@H]2C 1123780984 UJYDSWIMFSSSDP-UWVGGRQHSA-N 269.349 -0.933 50 20 CBGD CC(=O)CCCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1251260737 HGSWFSMGLYVNLA-VIFPVBQESA-N 290.341 -0.672 50 20 CBGD CC(C)(C)n1nnc(CC(=O)NNc2nc[nH]n2)n1 1261773180 VHYDPPHNRMFKIW-UHFFFAOYSA-N 265.281 -0.768 50 20 CBGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)C(=O)OC)C12CCC2 1318942441 POYUOKVFQYJFTH-DTWKUNHWSA-N 299.327 -0.163 50 20 CBGD O=C1C[C@H](C(=O)NNC(=O)c2cccnc2)CCN1 1319335288 HQBASYUUNOSWKK-MRVPVSSYSA-N 262.269 -0.631 50 20 CBGD C[S@](=O)c1cccc(NC(=O)NNC(=O)CCO)c1 1320400584 IVFACQKGXKMUID-IBGZPJMESA-N 285.325 -0.041 50 20 CBGD COc1cccc(NNC(=O)CC[C@@H]2NC(=O)NC2=O)n1 1320793299 QESMZQMZUZCFJJ-ZETCQYMHSA-N 293.283 -0.479 50 20 CBGD O=C(NC[C@@H]1CCCS1(=O)=O)NNc1cccnn1 1324629191 LBCNHYVFPSEFCL-QMMMGPOBSA-N 285.329 -0.320 50 20 CBGD O=C(NNC(=S)NCC1CC1)c1ccnnc1 1327067364 RTCYSDNENSSUNT-UHFFFAOYSA-N 251.315 -0.005 50 20 CBGD CS(=O)(=O)CC(=O)NN=Cc1ccc([N+](=O)[O-])o1 1330144269 YBDDVAXWDMLZRB-UHFFFAOYSA-N 275.242 -0.318 50 20 CBGD O=C(CCO)NNC(=O)Nc1ccc2c(c1)CCNC2=O 1330238333 SYYKHFVEBUAPKX-UHFFFAOYSA-N 292.295 -0.492 50 20 CBGD Cc1ccc(NNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)nn1 1332093715 LJWVYGQJELHAPN-RKDXNWHRSA-N 294.315 -0.133 50 20 CBGD CC[C@](C)(C#N)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1335329467 JCQRKSQSPASGCA-WRWORJQWSA-N 252.274 -0.648 50 20 CBGD COc1ccc(C(=O)NNC(=O)C2(O)CCOCC2)cc1 1338251623 SQHDRKHBKLLVHW-UHFFFAOYSA-N 294.307 -0.002 50 20 CBGD CC(=O)NNC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 1338502263 VQHQPJRUQRSQDI-ZJUUUORDSA-N 278.268 -0.876 50 20 CBGD CNc1ncccc1C(=O)NNC(=O)N1CCOCC1 1338816193 OEDVCXRSOFAWLI-UHFFFAOYSA-N 279.300 -0.190 50 20 CBGD CCOC(=O)[C@H](N[C@@H](C)C(=O)NNC(=O)CC)C1CC1 1346125510 CGGKWPXWDGZHGM-GZMMTYOYSA-N 285.344 -0.136 50 20 CBGD Cn1nncc1NNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 1351217365 QQLXQVUQZAFRAN-HTQZYQBOSA-N 266.305 -0.450 50 20 CBGD C#CCCCC(=O)NNC(=O)C[C@]1(O)CCCNC1 1574545271 PHKWUHKNJUDTQE-CYBMUJFWSA-N 267.329 -0.558 50 20 CBGD CC[C@H](NC)C(=O)NNC(=O)Cc1cc(C)[nH]n1 1577172170 NCFOKIIDQXWOMS-VIFPVBQESA-N 253.306 -0.594 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)C(F)F 1582562630 XPVSHXTVPDBJSP-UHFFFAOYSA-N 255.188 -0.030 50 20 CBGD CC(=NNC(=O)NCC(=O)O)c1cn(C)c(C)n1 1589012326 HVQYVSPWGILZOP-UHFFFAOYSA-N 253.262 -0.164 50 20 CBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1ccc(C(=O)O)cn1 1594632670 PWIYHJANNSXBKB-XNCJUZBTSA-N 280.240 -0.280 50 20 CBGD CN(C)CC(=O)NNC(=O)CNC(=O)Cc1ccccc1 75653410 GMZVXSBDJLFWRY-UHFFFAOYSA-N 292.339 -0.946 50 20 CBGD CC1CCN(CC(=O)NNc2ccc(C(N)=O)nn2)CC1 158992412 QCQMLDONVUZUAP-UHFFFAOYSA-N 292.343 -0.250 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCO1)C(=O)N1CCCC1 269390522 LFCKLIAJRSMOJO-VIFPVBQESA-N 269.301 -0.675 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)c1ccccc1C 270513986 RLQMTUSRARBAQZ-UHFFFAOYSA-N 264.285 -0.315 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCn2ccnn2)[nH]n1 270714335 VRUFJUCKTCNVCF-UHFFFAOYSA-N 263.261 -0.839 50 20 CBGD COc1nccnc1NNC(=O)[C@H]1CN(C)CCO1 274118476 SDTXJFPRMRVJAH-MRVPVSSYSA-N 267.289 -0.741 50 20 CBGD CCOC(=O)/C(C#N)=C/NCCn1cc(C(=O)OC)nn1 283973962 NUKLNXKSFKPIMA-VQHVLOKHSA-N 293.283 -0.375 50 20 CBGD CCOC1CC(C(=O)NNC(=O)C(=O)NC(C)C)C1 286821073 XRTSJIKFFBROOU-UHFFFAOYSA-N 271.317 -0.527 50 20 CBGD COC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)c2cccnc2)O1 289370181 OHEOCKONEFYAID-VHSXEESVSA-N 293.279 -0.437 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2COCCO2)c(O)c1 298984999 MPDFTNDDTMPENX-NSHDSACASA-N 280.280 -0.123 50 20 CBGD CC[C@H](OC)C(=O)NNC(=O)C(=O)N1CCCC1 299529860 YZNZAFXUAPQJBX-QMMMGPOBSA-N 257.290 -0.819 50 20 CBGD O=S(=O)(CCCCl)N1CC[C@@H](O)[C@H](CO)C1 396885424 GUSFQKDVQGKWNS-DTWKUNHWSA-N 271.766 -0.380 50 20 CBGD CCO/C=C(\C#N)C(=O)N(CC#N)CC(=O)OC 490755484 VRPAPRZXTMMYKM-CMDGGOBGSA-N 251.242 -0.044 50 20 CBGD O=C(CO)NNC(=O)c1ccc(N2CCOC2=O)cc1 495172135 IBOLKFXGFIWASN-UHFFFAOYSA-N 279.252 -0.604 50 20 CBGD C[C@H]1CN(C)CCN1C(=O)c1cccc(B(O)O)c1 584942173 PYGAGNHWPOSQPO-JTQLQIEISA-N 262.118 -0.858 50 20 CBGD C[C@@H]1C[C@H](CNC(=O)c2ccc(B(O)O)cc2)CCO1 584970049 LBHAMMVOFFLGRP-GHMZBOCLSA-N 277.129 -0.089 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](n2cncn2)C1 584976084 JHLWUUCZECANOV-GFCCVEGCSA-N 286.100 -0.955 50 20 CBGD C[C@H]1CCC[C@@]1(O)CNC(=O)c1cccc(B(O)O)c1 584994656 MOJMTHGUZPMOIP-IINYFYTJSA-N 277.129 -0.353 50 20 CBGD CC(C)N1CC[C@H](NCc2cccc(B(O)O)c2)C1=O 585027524 AWGPZVKXXWIXIH-ZDUSSCGKSA-N 276.145 -0.535 50 20 CBGD Cn1cc(C(=O)NNC(=O)CNC(=O)C(C)(C)C)cn1 735473031 KJXQJPJPBRXGQM-UHFFFAOYSA-N 281.316 -0.657 50 20 CBGD COCC(=O)N[C@H](C(=O)NNC(=O)CC(C)C)C(C)C 741208645 FEHCRBYYGDYPNU-LBPRGKRZSA-N 287.360 -0.033 50 20 CBGD COc1ccnc(NNC(=O)c2ccc(C(N)=O)o2)n1 747389340 PMYPECOZMPEKJV-UHFFFAOYSA-N 277.240 -0.066 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)CO)c2ccccc21 753440252 YTSVVDUJHBGJJN-JTQLQIEISA-N 263.297 -0.250 50 20 CBGD O=C(CO)NNC(=O)C[C@@H]1CSCCS1 753442341 FFLPZYOWBRABHL-ZCFIWIBFSA-N 250.345 -0.635 50 20 CBGD C[C@@]1(C(=O)NNC(=O)CO)Cc2ccccc2C(=O)O1 753444565 NFIKECPYBQHYQD-ZDUSSCGKSA-N 278.264 -0.702 50 20 CBGD CN(NC(=O)c1ccc2nc(O)[nH]c2n1)C(N)=O 774092696 PFYPXJJSYRSJHZ-UHFFFAOYSA-N 250.218 -0.681 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NN(C)C(=O)NCC 780711621 NJQZSJHWZZFWSA-JTQLQIEISA-N 252.318 -0.224 50 20 CBGD CC(=O)NNC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O 790471923 MQJCVEFXAHRJJY-LBPRGKRZSA-N 267.285 -0.925 50 20 CBGD C=C(CN(C)C)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 792853284 CWUMHNSCEGSACL-NSHDSACASA-N 289.401 -0.404 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCCC(=O)N1 799619059 YJDZOFZLBWAHKR-MRVPVSSYSA-N 265.273 -0.852 50 20 CBGD CNC(=O)CCCCC(=O)NNC(=O)N1CCN(C)CC1 807380080 OJQAANPLYDUSEI-UHFFFAOYSA-N 299.375 -0.719 50 20 CBGD CON=CC(=O)NNC(=O)CNc1cccc(OC)c1 809572317 LXCKVPOEIMQFMV-UHFFFAOYSA-N 280.284 -0.113 50 20 CBGD O=C1CC(C(=O)NNC(=O)CO)(c2ccccc2)C1 810919191 NXYAHTNHNZEVJH-UHFFFAOYSA-N 262.265 -0.573 50 20 CBGD O=C(NNC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1cn[nH]c1 818552933 YLNPKAOOONBZLD-ZETCQYMHSA-N 277.284 -0.818 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCCCS1(=O)=O 823934243 DZZSJSDOOQJZBM-BDAKNGLRSA-N 264.347 -0.703 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CCOC[C@H]1CCCO1 823971790 ZJHCRMFWEGMAFL-WDEREUQCSA-N 260.334 -0.084 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cccc3c2OCC3)N1 827015341 HSBLSKBSELTOAR-SNVBAGLBSA-N 289.291 -0.339 50 20 CBGD CC(=O)N[C@@H]1CCN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1 827261003 YKLISESZMFHUPK-FBIMIBRVSA-N 298.343 -0.637 50 20 CBGD CC(C)OCCS(=O)(=O)NNC(=O)[C@H]1CCCCO1 830034330 PIVVGUNJOUXPDR-SNVBAGLBSA-N 294.373 -0.069 50 20 CBGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCN 841921168 ONFSBDBUZKHSNV-MRVPVSSYSA-N 284.291 -0.118 50 20 CBGD O=C(CN1CCC[C@H]([C@@H]2CCNC2)C1)NNC(=O)C1CC1 843387684 HTLZTWZZKZLJHP-OLZOCXBDSA-N 294.399 -0.135 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)CC(F)(F)F 855001353 YVYIBKJJZWHYQM-UHFFFAOYSA-N 256.184 -0.985 50 20 CBGD Cc1ccc(NCC(=O)NNC(=O)[C@H]2CCNC2=O)cc1 856792099 ZGMQSWVKSQHBCM-NSHDSACASA-N 290.323 -0.310 50 20 CBGD CC(C)CN1C[C@@H](C(=O)NNc2cnnn2C)CC1=O 857271659 UNDUPCZLSIEIRW-VIFPVBQESA-N 280.332 -0.237 50 20 CBGD CC[C@H](SC)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862457203 DALLRPUDNGXAQI-BQBZGAKWSA-N 259.331 -0.446 50 20 CBGD CC1(C)COC(=O)[C@H]1NC(=O)c1cc(B(O)O)ccc1F 863881576 AGBWVHPKCKBKRX-SNVBAGLBSA-N 295.075 -0.813 50 20 CBGD C[C@@]1(C(=O)NNC(=O)NCC2CC2)CCNC1=O 874194424 OBTBWMBKVYNQKI-LLVKDONJSA-N 254.290 -0.747 50 20 CBGD NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)CCCCl)O1 881985624 DFFHYEUVHCQTKY-HTQZYQBOSA-N 284.765 -0.432 50 20 CBGD CCOC(=O)[C@](C)(O)CNS(=O)(=O)CCCCl 882065856 RVIILUWOAGEKTK-SECBINFHSA-N 287.765 -0.151 50 20 CBGD COC[C@H](C)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 890159051 SPGYJIBQGHYRPU-WPRPVWTQSA-N 279.362 -0.598 50 20 CBGD Cc1cc(NNC(=O)[C@@H]2CSCC(=O)N2)nc(C)n1 895153229 DPIFDRAPUVUJOR-QMMMGPOBSA-N 281.341 -0.232 50 20 CBGD CCOC(=O)N(C)CCCC(=O)N1CC[C@@H](B(O)O)C1 902552351 JGLFPXFWSZXLHN-SNVBAGLBSA-N 286.137 -0.070 50 20 CBGD COCCn1cc(C(=O)NN(C)C[C@H](C)O)ccc1=O 910169358 BVEIGBMDQYZOPD-JTQLQIEISA-N 283.328 -0.548 50 20 CBGD C#CC1(O)CN(CC(=O)NNC(=O)c2ccccc2)C1 934444992 IJUZCECHDRVVRR-UHFFFAOYSA-N 273.292 -0.873 50 20 CBGD C[C@@H](C(=O)NNC(=O)C(=O)NC1CC1)C(F)(F)F 1116142155 VXVUWQOVZUIXNM-BYPYZUCNSA-N 267.207 -0.389 50 20 CBGD Cn1cncc1CCC(=O)NNc1ccc(C(N)=O)nn1 1116947177 ZQEITCNCIUYAIW-UHFFFAOYSA-N 289.299 -0.615 50 20 CBGD Cc1ncc2n1C[C@H](C(=O)N1CC[C@H](B(O)O)C1)CC2 1119606206 AIMMBWXSCOUSEM-MNOVXSKESA-N 277.133 -0.171 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 1170327840 LOHULJAEZARLSU-WDEREUQCSA-N 296.327 -0.666 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCc1ccccn1 1252438793 RQCFNEJUVXKTPC-UHFFFAOYSA-N 266.257 -0.873 50 20 CBGD O=C(NNC(=O)c1ccc[nH]1)C(=O)N1CCCC1 1318221208 OOGBSGOKTZZBGN-UHFFFAOYSA-N 250.258 -0.602 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccccc1 1318876150 FDYDMYFVQPZYMM-UHFFFAOYSA-N 251.242 -0.310 50 20 CBGD CC(C)NC(=S)NNC(=O)C(=O)Nc1ccccn1 1319091075 XYXJDFIYMVZWQX-UHFFFAOYSA-N 281.341 -0.076 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)SCCN1CCOCC1 1323115441 SAXHUMHXVSOTOO-JTQLQIEISA-N 289.401 -0.002 50 20 CBGD Cn1ccnc(NNC(=O)c2nnc3ccccc3n2)c1=O 1323948408 KBUYZXZQORHKHN-UHFFFAOYSA-N 297.278 -0.125 50 20 CBGD O=C(NCc1ccc(F)cn1)NNC(=O)C(=O)NC1CC1 1323958119 BBCPYVGHGFJBQV-UHFFFAOYSA-N 295.274 -0.670 50 20 CBGD Cc1ccc([C@@H](O)CNC(=O)NNC(=O)c2cn[nH]c2)o1 1328731709 PHVNGEJHVQQFMV-VIFPVBQESA-N 293.283 -0.011 50 20 CBGD CC(F)(F)C1(C(=O)NNC(=O)CS(C)(=O)=O)CC1 1329206797 BRCAVZUIRUFFPN-UHFFFAOYSA-N 284.284 -0.386 50 20 CBGD NC(=O)Nc1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1 1329294020 VQSPRKPLEMWVAI-SECBINFHSA-N 277.089 -0.134 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CCn2cncc2C1 1329806246 JBILDEHLJNVTJT-SNVBAGLBSA-N 252.318 -0.209 50 20 CBGD CN1CC[C@@H]1CNC(=O)NNC(=O)C1CCOCC1 1332403640 YYRLLWRODSFHSV-SNVBAGLBSA-N 270.333 -0.553 50 20 CBGD O=C(NNC(=O)N1CC[C@@H](n2cncn2)C1)c1cn[nH]c1 1334930530 LSTHWSVOJUCMDA-SECBINFHSA-N 290.287 -0.697 50 20 CBGD O=C(CCCc1cccnc1)NNC(=O)[C@@H]1CCC(=O)N1 1335420343 XJLGLLUMNCNASX-NSHDSACASA-N 290.323 -0.170 50 20 CBGD COC[C@@H](NC(=O)NNC(=O)C(=O)OC)C(C)C 1339817616 JBYSJMQRHUFRTA-SSDOTTSWSA-N 261.278 -0.839 50 20 CBGD O=C(CN1C(=O)CCC1=O)NNC(=O)CC(F)(F)F 1347053217 NAGVHSZLSANDDQ-UHFFFAOYSA-N 281.190 -0.765 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)c1cn(CC(=O)O)nn1 1588642898 QRMPMDFKLRCODS-UHFFFAOYSA-N 283.288 -0.440 50 20 CBGD CON=CC(=O)NNc1cccc(-c2nn[nH]n2)c1 1591467607 RRZKKYXYRFZRQQ-UHFFFAOYSA-N 261.245 -0.058 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCN2CCC[C@@H]2C1 1601553072 SQDYFAKXDQHTGZ-JGVFFNPUSA-N 270.289 -0.972 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)CC(C)(C)C(=O)O 1605492680 BZJVRYCTCBVGQA-UHFFFAOYSA-N 281.334 -0.407 50 20 CBGD O=C(O)CC[C@@H]1C[C@H](C(=O)NNC(=O)c2cn[nH]c2)CO1 1606110829 BJULVVSDIWHHNH-IONNQARKSA-N 296.283 -0.559 50 20 CBGD C[C@H](CS(C)(=O)=O)NS(=O)(=O)CCCCl 81905724 MVKAXEMKVRWJLO-SSDOTTSWSA-N 277.795 -0.032 50 20 CBGD CCc1ccc(C(=O)NNC(=O)CNC(=O)NC)cc1 90018446 DEFLVQRISKWEDV-UHFFFAOYSA-N 278.312 -0.061 50 20 CBGD NC(=O)NC1(C(=O)NNC(=O)Cc2ccccc2F)CC1 163469799 NZNQQBIAXXTDHL-UHFFFAOYSA-N 294.286 -0.284 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1 180952122 WMITYRAANJFYBZ-LBPRGKRZSA-N 295.314 -0.070 50 20 CBGD Cn1nncc1CNS(=O)(=O)CCCCl 394917968 KMEZWYXDQVIHKL-UHFFFAOYSA-N 252.727 -0.137 50 20 CBGD C[C@@H](C[S@@](C)=O)N(C)Cc1cccc(B(O)O)c1 399914436 CBOMMHFRPYZZDL-XTZNXHDOSA-N 269.175 -0.435 50 20 CBGD COC(=O)N(C)NS(=O)(=O)C[C@@H]1CCCO1 497195483 VHWSAIYQUCMSEI-ZETCQYMHSA-N 252.292 -0.302 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1[C@H]2CCCO[C@H]21 584914365 VUIYRAIIOUGXAQ-IJLUTSLNSA-N 261.086 -0.270 50 20 CBGD C[C@H](CNC(=O)c1cccc(B(O)O)c1)CN1CCCC1 584931913 KYVXUHVKUGMUGB-GFCCVEGCSA-N 290.172 -0.172 50 20 CBGD C[C@@H](CCN(C)C)NC(=O)c1ccc(B(O)O)c(F)c1 584946523 UEJVBFQTHNVKMP-VIFPVBQESA-N 282.124 -0.425 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N(CCCCO)C1CC1 584964253 ANGKXBWHJBZMLE-UHFFFAOYSA-N 277.129 -0.257 50 20 CBGD CC(C)C[C@@H](CO)NC(=O)c1ccc(B(O)O)cc1 584966681 HXSJCKOAVIDCSJ-LBPRGKRZSA-N 265.118 -0.497 50 20 CBGD COC[C@@H](NC(=O)c1cccc(B(O)O)c1)[C@@H]1CCCO1 584983974 SEKSVMKSHFWQAJ-OLZOCXBDSA-N 293.128 -0.710 50 20 CBGD C[C@@H](Cn1ccnc1)NCc1ccc(B(O)O)cc1F 585017756 KHWYPHWWLNBKOS-JTQLQIEISA-N 277.108 -0.120 50 20 CBGD OC[C@H](CNCc1ccccc1B(O)O)Cc1ccco1 585028905 SMMDQPKPELRYMH-LBPRGKRZSA-N 289.140 -0.100 50 20 CBGD CCO[C@@H]1C[C@@H](NCc2cccc(B(O)O)c2)[C@@H]1OC 585035481 UUCRAFJUKWKZDS-MCIONIFRSA-N 279.145 -0.352 50 20 CBGD CCCC(=O)NCc1nc(-c2ccc(B(O)O)cc2)no1 585049858 YMMUUJBFOAKJST-UHFFFAOYSA-N 289.100 -0.167 50 20 CBGD OB(O)c1ccc(-c2noc(C[C@@H]3CCOC3)n2)cc1 585050886 OUGAMLCEGXRJLZ-VIFPVBQESA-N 274.085 -0.005 50 20 CBGD O=C1C[C@H](c2nc(-c3cccc(B(O)O)c3)no2)CCN1 585053008 DZDYGYVQTTVFDK-SECBINFHSA-N 287.084 -0.590 50 20 CBGD OB(O)c1ccc(-c2noc(C3(O)CCOCC3)n2)cc1 585055107 RAQUIESNOFTGAV-UHFFFAOYSA-N 290.084 -0.586 50 20 CBGD CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NCB(O)O 585059581 SXLBCWHIENTMKS-HTQZYQBOSA-N 274.151 -0.938 50 20 CBGD O=C([C@H]1COCCN1CC(F)F)N1CC[C@H](B(O)O)C1 585064051 LZHNRNIUZRWGGI-DTWKUNHWSA-N 292.091 -0.972 50 20 CBGD CC(=O)NNC(=O)Cn1nnc(-c2ccc(C)cc2)n1 727238166 GPNOAMOFLNSJCW-UHFFFAOYSA-N 274.284 -0.184 50 20 CBGD CC/C=C(\C)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 747159755 JKVFXXSICCMJMN-VGANXODHSA-N 289.357 -0.140 50 20 CBGD CC(C)C(=O)NNC(=O)c1ccc(CS(N)(=O)=O)cc1 748831025 NFUGLKYIICLDIF-UHFFFAOYSA-N 299.352 -0.108 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)Cc1cc(C)[nH]n1 755398569 DODJLKWBEZEHHS-UHFFFAOYSA-N 295.343 -0.287 50 20 CBGD COc1cc(C)nc(NNC(=O)c2cnn(C)c2N)n1 758300557 GLIFAGJDICNRST-UHFFFAOYSA-N 277.288 -0.134 50 20 CBGD O=C1C[C@H](C(=O)NNC(=O)C2CCCC2)CCN1 760361410 WCWBTSXTSMJHMH-SECBINFHSA-N 253.302 -0.150 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cnn2ncccc12 765316621 NHHGQRHXPGSJGU-UHFFFAOYSA-N 285.267 -0.164 50 20 CBGD CC(=O)NNS(=O)(=O)c1cnn(-c2ccccn2)c1C 765990748 XCLWZTIGPNHMLZ-UHFFFAOYSA-N 295.324 -0.095 50 20 CBGD CN(NC(=O)Cn1cc(C(N)=O)c2ccccc21)C(N)=O 778411555 GNILHGDHYKQINM-UHFFFAOYSA-N 289.295 -0.218 50 20 CBGD CC(C)[C@@H](F)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 784143367 CMWNYKAMNWCSPE-HTQZYQBOSA-N 295.336 -0.502 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)CC(F)(F)F)C1 788583603 UMWAZBZIEQAHHB-UHFFFAOYSA-N 267.207 -0.436 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@]2(CCOC2)O1 796555749 LBKVSCFDTKOROG-IINYFYTJSA-N 297.355 -0.576 50 20 CBGD Cn1ncc(C(=O)NNC(=O)c2ccccc2O)n1 806344569 IQLKRIJIKFLELK-UHFFFAOYSA-N 261.241 -0.405 50 20 CBGD CN(C)c1ncc(C=NNC(=O)CN2CCCC2=O)n1C 811634858 DPYIADLQQINJKM-UHFFFAOYSA-N 292.343 -0.441 50 20 CBGD Cn1cc(C=NNC(=O)CNC(=O)c2ccco2)c(O)n1 814220005 UYHUNCXEQOSJPB-UHFFFAOYSA-N 291.267 -0.401 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cc(Cn2cccn2)on1 816360039 LUNAMRWXOFTNNF-UHFFFAOYSA-N 293.283 -0.549 50 20 CBGD CCC[C@H](C(=O)NNC(=O)C1CCCC1)S(N)(=O)=O 821754715 PETDODDXQRTYLZ-SECBINFHSA-N 291.373 -0.219 50 20 CBGD COC(=O)CNC(=O)NN=Cc1nccc(OC)n1 842529663 GKTZAYZWNUJCKY-UHFFFAOYSA-N 267.245 -0.709 50 20 CBGD Cc1nonc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843651074 KKVUZVMPGBOSMZ-RNFRBKRXSA-N 254.246 -0.436 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnnc1 843980065 QXWBEYRZNNOWBS-APPZFPTMSA-N 250.258 -0.337 50 20 CBGD COC(=O)C12CC(C(=O)NNC(=O)CN(C)C)(C1)C2 844132845 NAWNNZHREJYQQG-UHFFFAOYSA-N 269.301 -0.961 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=S)NCC2CCC2)C1 855089414 QEQNKIIZAKSNMG-UHFFFAOYSA-N 284.385 -0.240 50 20 CBGD O=C(COCC(F)(F)F)NNC(=O)c1cc[nH]n1 855356955 VNSSUVAASSIYKE-UHFFFAOYSA-N 266.179 -0.250 50 20 CBGD O=C(CCn1ccnn1)NNC(=O)OCC(F)(F)F 856020445 HTPHPIOJDVGFEK-UHFFFAOYSA-N 281.194 -0.012 50 20 CBGD O=C1CC[C@@H](C(=O)NN=Cc2ccc(O)c(O)c2)N1 863146095 OTQVMHAWZLWEDL-QMMMGPOBSA-N 263.253 -0.174 50 20 CBGD CC(C)C1(C(=O)NNc2nccn(C)c2=O)COC1 896029776 HDEASIYPUDIPEN-UHFFFAOYSA-N 266.301 -0.104 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@@H]2CCCNC2=O)n1 896507760 BAKAJYOASZUCBZ-MRVPVSSYSA-N 278.316 -0.488 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=S)NC(C)(C)C 899995857 IOYZJEBAAYMGMN-SSDOTTSWSA-N 272.374 -0.099 50 20 CBGD C#CCCCC(=O)NNS(=O)(=O)CCOCCOC 901965363 DNHIYEAUOZVQLI-UHFFFAOYSA-N 292.357 -0.597 50 20 CBGD CN1CCN(C(=O)NN=Cc2cnc3n2CCOC3)CC1 905463017 PQHBYUXLAQVJLY-UHFFFAOYSA-N 292.343 -0.296 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 910141321 YBCVFRMLMGMIBU-UWVGGRQHSA-N 293.389 -0.998 50 20 CBGD CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)OC)c1 1116626750 BSHHELYAFOMKEI-UHFFFAOYSA-N 294.267 -0.628 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@]1(F)CCOC1 1117705498 SOEONFFXPIDRON-SNVBAGLBSA-N 263.269 -0.518 50 20 CBGD O=C(CCCN1C(=O)CNC1=O)NNc1ncncc1F 1117730824 UVONYFAHVYVLSU-UHFFFAOYSA-N 296.262 -0.609 50 20 CBGD CC[S@](=O)CCNC(=O)NNC(=O)C1CCOCC1 1119290818 XWQSCJWPIBUCON-IBGZPJMESA-N 291.373 -0.488 50 20 CBGD C[C@H](Cn1ccnc1)NC(=O)NNC(=O)c1cn[nH]c1 1261788389 UZEHLIANBHLPIS-MRVPVSSYSA-N 277.288 -0.361 50 20 CBGD Cn1cnc(S(=O)(=O)NNC(=O)NCC2CC2)c1 1318120412 FWNAFRJFBVYTGJ-UHFFFAOYSA-N 273.318 -0.677 50 20 CBGD COC(=O)N(C)NC(=O)CCCS(C)(=O)=O 1322068220 GMHCQDOZRSXWLI-UHFFFAOYSA-N 252.292 -0.459 50 20 CBGD CCOCCCCNC(=O)NNC(=O)C(=O)OC 1322254802 VWBJJCDFCNOQIM-UHFFFAOYSA-N 261.278 -0.694 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CCC(S(N)(=O)=O)CC1 1324383135 QRGKZDNCVLEWNP-HJWRWDBZSA-N 287.341 -0.290 50 20 CBGD COC(=O)N(C)NC(=O)[C@H]1CCc2nnn(C)c2C1 1324635145 ZSFFJJFKZFNULM-ZETCQYMHSA-N 267.289 -0.351 50 20 CBGD CNC(=O)NNC(=O)CS(=O)(=O)C(C)(C)C 1324675520 UHESLILIPKISPU-UHFFFAOYSA-N 251.308 -0.840 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)Cc1nc[nH]n1 1325989654 JWEIQIBCPYIPQT-YUMQZZPRSA-N 282.304 -0.598 50 20 CBGD Cn1nncc1NC(=O)C(=O)NNC(=O)CC(C)(C)C 1327546339 YWQNQUQGSVYYEJ-UHFFFAOYSA-N 282.304 -0.663 50 20 CBGD O=C(CO)NNC(=O)Cc1ccn(CC(F)(F)F)n1 1335132608 RUGPGHMUQDCGKV-UHFFFAOYSA-N 280.206 -0.872 50 20 CBGD CCCNC(=O)[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 1337518096 XADUMRHMBWIDKZ-SECBINFHSA-N 278.117 -0.989 50 20 CBGD CNC(=O)NNC(=O)C12CCC(OC)(CC1)CC2=O 1347384117 MPQIUOYALKKTNX-UHFFFAOYSA-N 269.301 -0.135 50 20 CBGD Cc1ccc2ncc(C(=O)NNc3cnnn3C)c(=O)n2c1 1347710358 XGXWGJQQMREQKS-UHFFFAOYSA-N 299.294 -0.112 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCc2nnn(C)c2C1 1348954940 LDNSCFXKWYHHQA-BDAKNGLRSA-N 267.333 -0.736 50 20 CBGD COCCCn1cc(C(=O)NNC(=O)CCCN)cn1 1579019536 VBXGCIGGHUDBAE-UHFFFAOYSA-N 283.332 -0.581 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H](CN)C1CC1 1579053780 SMPZWACEXNTRTA-WPRPVWTQSA-N 288.348 -0.894 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CC(=O)O)C1 1594712563 RRHLNCUMSBUKLZ-KXUCPTDWSA-N 285.344 -0.025 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CC=CC1)c1ncccn1 1594778960 FOGRRTVDAHANTN-UHFFFAOYSA-N 276.252 -0.341 50 20 CBGD CCCCN1CCC(NC(=O)NNC(=O)C(=O)O)CC1 1595749789 YWXQLJCZHSRTPD-UHFFFAOYSA-N 286.332 -0.334 50 20 CBGD Cc1cnccc1CNC(=O)NNC(=O)C(=O)O 1600629691 GVMUEXVSWAKLIO-UHFFFAOYSA-N 252.230 -0.695 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2c[nH]c(C(=O)O)c2)cn1 1600932843 TUZOZWXGFVVMDC-UHFFFAOYSA-N 277.240 -0.479 50 20 CBGD O=C(O)c1coc(C(=O)NNC(=O)[C@@H]2COCCO2)c1 1602550777 PXEAMHTUZFEQRT-QMMMGPOBSA-N 284.224 -0.846 50 20 CBGD COC(=O)N(C)NC(=O)c1ccnc(-c2nn[nH]n2)c1 1604949663 GZRYKRFYZNDSPS-UHFFFAOYSA-N 277.244 -0.395 50 20 CBGD CO[C@H]1CCC[C@H]1CNC(=O)NNC(=O)C(=O)O 1610235637 PLWFGORUAAPSSQ-BQBZGAKWSA-N 259.262 -0.784 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)CCn1cccn1 111280257 RAHVKQPPLSOSDZ-JTQLQIEISA-N 267.333 -0.239 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2c[nH]nc2C)ncn1 131630651 GNBDYIQAMONJSW-UHFFFAOYSA-N 260.257 -0.109 50 20 CBGD O=C(CN1CC(=O)N[C@@H]2CCCC[C@H]21)NNC(=O)C1CC1 132228678 GWVSHDGIEMBSNU-GHMZBOCLSA-N 294.355 -0.713 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(N2CCOCC2)nc1 139218927 GCPNHQAXBRJSKA-UHFFFAOYSA-N 293.327 -0.118 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCn1ccnc1 265858011 FOMOKWVHBNENQE-UHFFFAOYSA-N 295.343 -0.275 50 20 CBGD CCOc1ccc(C(=O)NCC(=O)NN(C)C(N)=O)cc1 271246488 CQOWVUIOIPVXBP-UHFFFAOYSA-N 294.311 -0.143 50 20 CBGD CN(NC(=O)CCn1ncn(C)c1=O)C(=O)OC(C)(C)C 297266019 OONSJTPCOHEWDD-UHFFFAOYSA-N 299.331 -0.130 50 20 CBGD C=CCCO[C@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 299468919 GHAWFWPXUSXJBI-SNVBAGLBSA-N 283.328 -0.263 50 20 CBGD CO[C@@H]1CN(S(=O)(=O)CBr)C[C@H]1O 307376814 BVPCXQTTWAPCLY-PHDIDXHHSA-N 274.136 -0.640 50 20 CBGD CN(NC(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C)C(N)=O 496492682 BRYBQVRAFQIGFL-RQJHMYQMSA-N 272.305 -0.059 50 20 CBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)c1ccccc1 496928125 HAKWNVBELPLHDQ-APPZFPTMSA-N 263.253 -0.056 50 20 CBGD CC[C@H](NC(=O)c1ccc(B(O)O)cc1)c1noc(C)n1 584954385 HOMAWXMDMNLMDJ-NSHDSACASA-N 289.100 -0.061 50 20 CBGD COCCO[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584977969 VZKTZSBKBRDVNT-CYBMUJFWSA-N 293.128 -0.756 50 20 CBGD C[C@@H](CCCCO)NC(=O)c1cc(B(O)O)ccc1F 584996129 YIQCLAZXCFWHSM-VIFPVBQESA-N 283.108 -0.214 50 20 CBGD CC[C@H](NC(=O)c1cc(B(O)O)ccc1F)[C@H](O)CC 584996537 KDGNILPTSXOQRA-NWDGAFQWSA-N 283.108 -0.215 50 20 CBGD O=C(NC[C@H]1CC1(F)F)c1ccc(B(O)O)cc1 584998894 BWOVUGDOXSQBIA-MRVPVSSYSA-N 255.029 -0.249 50 20 CBGD Cc1nc(CCNCc2ccccc2B(O)O)n[nH]1 585034384 PCBIAYLOZXIOMR-UHFFFAOYSA-N 260.106 -0.875 50 20 CBGD OB(O)c1cccc(-c2noc([C@@]34COC[C@@H]3C4)n2)c1 585051597 BFLOUOLSGYWLAS-ZANVPECISA-N 272.069 -0.296 50 20 CBGD N#Cc1cc(S(=O)(=O)NCB(O)O)ccc1Cl 585054823 RSUASQDJGLEHBA-UHFFFAOYSA-N 274.494 -0.498 50 20 CBGD C[C@@H](C(=O)NCB(O)O)N(C)Cc1ccccc1 585060916 HRHWGBKZNLAPSL-JTQLQIEISA-N 250.107 -0.365 50 20 CBGD O=C(NCB(O)O)[C@@H]1CCN(Cc2ccccc2)C1 585062603 LBXDGPYOAGSRDY-GFCCVEGCSA-N 262.118 -0.363 50 20 CBGD CCc1nn(C)c(N2CC[C@@H](B(O)O)C2)c1[N+](=O)[O-] 585074571 ZSSJYHINYGYPJQ-SSDOTTSWSA-N 268.082 -0.056 50 20 CBGD CSCCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 726278938 PBSCJBMKSUYDLK-SECBINFHSA-N 281.403 -0.270 50 20 CBGD NC(=O)CNC(=S)NNC(=O)CCc1ccccc1 727085351 SORGGXWEATXJPF-UHFFFAOYSA-N 280.353 -0.400 50 20 CBGD O=C(NC[C@@H]1COCCO1)NNc1cccnn1 736374673 DDMZPNOJGBOPII-MRVPVSSYSA-N 253.262 -0.482 50 20 CBGD CCc1ncncc1C(=O)NNC(=O)CN(C)C 743333832 ZZTCDJJASKURRM-UHFFFAOYSA-N 251.290 -0.638 50 20 CBGD C[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)c1cnn(C)c1 749939155 MNYNUNRDCYVCFO-SECBINFHSA-N 293.327 -0.707 50 20 CBGD O=C(NNC(=O)C1CCC1)N[C@H]1CC(=O)N(C2CC2)C1 750655880 WAMNLJKOFUAZMM-VIFPVBQESA-N 280.328 -0.120 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H](C)S(C)(=O)=O)o1 752781208 JRRQHAWYECXTAB-SSDOTTSWSA-N 274.298 -0.218 50 20 CBGD O=C(CO)NNC(=O)c1cc(-c2ccccn2)no1 753451159 AZQNRNPMEASETQ-UHFFFAOYSA-N 262.225 -0.510 50 20 CBGD COCC(=O)NNC(=O)Nc1nnc2ccccn12 756433985 SMTXCJRVUNFUIH-UHFFFAOYSA-N 264.245 -0.472 50 20 CBGD C#CCOc1ccc(F)cc1NC(=O)NNC(=O)CO 756757433 NOZALFJMKBWWEG-UHFFFAOYSA-N 281.243 -0.017 50 20 CBGD CCC(C)(C)N[C@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 772638025 BPRMDVJWMPZXLC-SNVBAGLBSA-N 298.387 -0.077 50 20 CBGD CC(=O)CCCC(=O)NNC(=O)N1CCN(C)CC1 773672033 DEYHTCSHOIJSJZ-UHFFFAOYSA-N 270.333 -0.266 50 20 CBGD NS(=O)(=O)c1cc(C(=O)NN=c2cc[nH]cc2)cs1 781021177 MPBJLEFTQLTDKU-UHFFFAOYSA-N 298.349 -0.031 50 20 CBGD CC(C)=CCNC(=O)NNC(=O)C(=O)NC1CC1 790534605 SKMXFJWOCFKWLT-UHFFFAOYSA-N 254.290 -0.438 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)[C@H](C)CO 792930329 DGPIZWQNJVYSGC-NXEZZACHSA-N 259.350 -0.119 50 20 CBGD Nc1nccc(C(=O)NNC(=O)c2ccc[nH]2)c1[N+](=O)[O-] 798152961 GRVSAMIDSHYOSF-UHFFFAOYSA-N 290.239 -0.025 50 20 CBGD CN(C)c1ncc(C=NNC(=O)Cc2cc[nH]n2)cn1 814957819 QSDQZKMMJCQWRN-UHFFFAOYSA-N 273.300 -0.042 50 20 CBGD C[C@](C#N)(CC(=O)O)C(=O)NNC(=O)Cc1ccccn1 819848981 WHXIAFCHUULCOI-CYBMUJFWSA-N 290.279 -0.224 50 20 CBGD CCN(CCO)NC(=O)CCn1ccccc1=O 823847044 QSUCTEJWCNNGIJ-UHFFFAOYSA-N 253.302 -0.416 50 20 CBGD Cc1onc(CC(=O)NNC(=O)C(C)C)c1-c1nn[nH]n1 826347887 KLMNPQIAHHWGOA-UHFFFAOYSA-N 293.287 -0.491 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCO[C@H]2C[C@@H]21 827268831 SNKIFWTWXXHYPY-XKNYDFJKSA-N 269.301 -0.375 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@H]1C(=O)O 828441913 VKPURPBKPBAOSM-IONNQARKSA-N 269.301 -0.804 50 20 CBGD Cn1cc(C=NNC(=O)c2ccc[nH]2)c(=O)n(C)c1=O 839407401 AQYCQQDFHPTBGT-UHFFFAOYSA-N 275.268 -0.824 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)nn1C 843645357 MSYNURMTRNJMRZ-RKDXNWHRSA-N 266.301 -0.085 50 20 CBGD CN(C)N(C(=O)[C@H](O)C1CC1)[C@@H]1CCS(=O)(=O)C1 854517128 XKIDUJIPLGVCPX-NXEZZACHSA-N 276.358 -0.750 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCCC(F)(F)F)N1 858262243 MIFUAYXOAUVGRI-LURJTMIESA-N 296.249 -0.062 50 20 CBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNC(=O)C2CCCC2)O1 858427696 GRRTZENUTFPZMS-DTWKUNHWSA-N 269.301 -0.643 50 20 CBGD CCCN1CC[C@@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858620700 ZIJFFOANELCHOE-ZJUUUORDSA-N 297.359 -0.920 50 20 CBGD Cc1ncsc1/C=C\C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862462396 WRHOAGLHTVORQM-NHLYECAPSA-N 294.336 -0.109 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2c[nH]nc2C1)c1cn[nH]c1 862472548 MGLTZNYCNASQCQ-ZETCQYMHSA-N 274.284 -0.301 50 20 CBGD O=C1CC[C@H](C(=O)NN=C2CC(=O)N3CCCC[C@@H]23)N1 863151047 CIMDMNDZRXGIET-SCZZXKLOSA-N 278.312 -0.478 50 20 CBGD CCCc1cc(C(=O)NNC(=O)CS(C)(=O)=O)no1 863466021 OHFWVCRVYRHAMS-UHFFFAOYSA-N 289.313 -0.567 50 20 CBGD O=S(=O)(CBr)NC[C@@H]1COCO1 867398270 VEAUDSPNMNRTEE-RXMQYKEDSA-N 260.109 -0.369 50 20 CBGD O=C(N=S1(=O)CCOCC1)c1cccc(B(O)O)c1 891374490 PQIDSUGQSXESHD-UHFFFAOYSA-N 283.114 -0.995 50 20 CBGD CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)C(=O)N1CCCC1 896014972 MQUWDHODPSLAQB-JTQLQIEISA-N 296.371 -0.371 50 20 CBGD C[C@@]1(C(=O)NCCOCC(N)=O)C[C@@H]1Br 906996401 DQNGMXJBUUYNQT-IMTBSYHQSA-N 279.134 -0.222 50 20 CBGD CCOC(=O)[C@@H](CC(=O)NN(C)C[C@@H](C)O)C(C)=O 910159144 ZWGUWGRMGLRQHB-SCZZXKLOSA-N 274.317 -0.511 50 20 CBGD CN1C(=O)CCC[C@H]1C(=O)NNC(=O)c1cccc(F)n1 912733727 XSGILNUWLXORNE-VIFPVBQESA-N 294.286 -0.007 50 20 CBGD O=C1NC(=O)C(=NNC(=O)c2c[nH]c3ccccc23)C(=O)N1 916658760 GQZJHYNFTKDUPZ-UHFFFAOYSA-N 299.246 -0.380 50 20 CBGD CCn1ccnc1C=NNC(=O)N[C@H]1CCS(=O)(=O)C1 1253647042 QFTATRCFFPPAKU-VIFPVBQESA-N 299.356 -0.277 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NN(C)[C@@H](C)CO 1261910606 DXECJXYRQODZAM-SFYZADRCSA-N 252.336 -0.989 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCn2cncc2C1 1261910849 KXVZIEANQKRACH-ZJUUUORDSA-N 252.318 -0.211 50 20 CBGD NC(=O)C(=O)NN=Cc1ccc(N2CCOCC2)s1 1317716509 DCKYVMLVJQVTCN-UHFFFAOYSA-N 282.325 -0.480 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cnc(C2CC2)[nH]1 1319162055 MLUOPFCDIUBVGO-UHFFFAOYSA-N 279.300 -0.427 50 20 CBGD Nc1cnnc(NNC(=O)CCn2cncn2)c1Cl 1319405859 CYOCOAQKTKMNMV-UHFFFAOYSA-N 282.695 -0.163 50 20 CBGD CC(C)(C)OC(=O)CCCC(=O)NNC(=O)CO 1326674139 DIRIGOBJDYLNTO-UHFFFAOYSA-N 260.290 -0.362 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H]1NC(=O)O[C@H]1C 1327455632 PTRUGHPEDNHTND-WDSKDSINSA-N 260.319 -0.613 50 20 CBGD NC(=O)c1ccc(NNC(=O)c2cnc3n2CCC3)nn1 1329568949 CDFZMYBYWMHFOZ-UHFFFAOYSA-N 287.283 -0.525 50 20 CBGD CO[C@@H](C)CN(C)C(=O)NNC(=O)c1cn[nH]c1 1329759751 QECXQXJPVYLBBZ-ZETCQYMHSA-N 255.278 -0.269 50 20 CBGD CCC(=O)NNS(=O)(=O)c1cnc(NC(C)=O)s1 1342852728 ZPWKYHZGLPNQCK-UHFFFAOYSA-N 292.342 -0.179 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1cn(C)nc1C 1342864899 MTGYSRBXPZXFCU-UHFFFAOYSA-N 261.307 -0.759 50 20 CBGD C[C@H]1CCN[C@@H](C(=O)NNC(=O)c2ncon2)C1 1576745849 WMHKLWVHZZSYJZ-NKWVEPMBSA-N 253.262 -0.781 50 20 CBGD Cn1cc(C(=O)NNC(=O)C2(N)CCC2)ccc1=O 1579953333 UPYJELYDHKXMTL-UHFFFAOYSA-N 264.285 -0.972 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1NCCc2occc21 1580570037 WTSOCVRYQTXIJR-LBPRGKRZSA-N 289.295 -0.420 50 20 CBGD O=C(NNC(=O)c1cccnn1)N[C@H]1CCNC12CCC2 1580737140 LUBFPHLCTTWALZ-JTQLQIEISA-N 290.327 -0.295 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1589881699 BIEBPBSAMYUCNU-LURJTMIESA-N 265.277 -0.848 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)N[C@H]1C[C@H](C(=O)O)C1 1594783002 RFDFVYZDAHKTKD-GRDBIXFFSA-N 297.311 -0.253 50 20 CBGD O=C(CCCc1nn[nH]n1)NNc1ccc(C(=O)O)cn1 1601271821 HZGVSVOCJWXHPW-UHFFFAOYSA-N 291.271 -0.241 50 20 CBGD O=C(O)[C@@H]1CCCCCN1C(=O)c1ccc(B(O)O)cc1 1608627003 HKRNVXJFAZYXRB-LBPRGKRZSA-N 291.112 -0.164 50 20 CBGD CCOC(=O)NNS(=O)(=O)c1c(C)n[nH]c1C 57733479 NYPGZSHCLRLRPY-UHFFFAOYSA-N 262.291 -0.034 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccc(C#N)[nH]2)cn1 152503670 URPXNHXOVJYGPN-UHFFFAOYSA-N 258.241 -0.305 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C 264460289 PQENWSVUDGJDRL-ZETCQYMHSA-N 288.373 -0.106 50 20 CBGD CO[C@@H](C)C(=O)NNC(=S)NCCSC 271379353 HHNGMTRKNYEZPG-LURJTMIESA-N 251.377 -0.120 50 20 CBGD O=C(CN1CCCS1(=O)=O)NNc1ccnc(F)c1 272846188 SXEGBBCEKHOZBE-UHFFFAOYSA-N 288.304 -0.301 50 20 CBGD CO[C@@H](C)CS(=O)(=O)NNC(=O)c1cccc(C)n1 282145415 DZVKZNDOLYSAQZ-VIFPVBQESA-N 287.341 -0.011 50 20 CBGD C[C@@H]([C@H](C)C(=O)Nc1cccc(B(O)O)c1)S(C)(=O)=O 584914326 UZFLSSAWEKQKTD-IUCAKERBSA-N 299.157 -0.626 50 20 CBGD C[C@@H]1COCCN(C(=O)c2cccc(B(O)O)c2)C1 584966990 OLHYVTVQUBYSHA-JTQLQIEISA-N 263.102 -0.525 50 20 CBGD CN(C[C@H]1CCC[C@H]1O)C(=O)c1cc(B(O)O)ccc1F 584967227 SOIWWLQEDVJWEL-NOZJJQNGSA-N 295.119 -0.262 50 20 CBGD C[C@H]1[C@@H](C)N(C(=O)c2cccc(B(O)O)c2)CCN1C 584970212 MROVTCKQNAEWFC-WDEREUQCSA-N 276.145 -0.469 50 20 CBGD CC[C@@]1(CO)CCCN1C(=O)c1ccc(B(O)O)c(F)c1 584979322 QVJJFPRUVDQSQM-AWEZNQCLSA-N 295.119 -0.117 50 20 CBGD O=C(NCB(O)O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O 585060792 YRZPSDXLAIKLEV-JTQLQIEISA-N 296.519 -0.179 50 20 CBGD O=C(NCB(O)O)c1cc([N+](=O)[O-])ccc1Cl 585071997 FRKPDPGLCVTXTA-UHFFFAOYSA-N 258.426 -0.010 50 20 CBGD C[C@H](CNC(=O)NNC(=O)C(=O)NC1CC1)N(C)C1CC1 729618109 ZZVCRAPNEKSTRD-MRVPVSSYSA-N 297.359 -0.922 50 20 CBGD COc1c(C(=O)NNC(=O)C2CC2)c(C)nn1C 732749675 DDUAGFSZQMCVOG-UHFFFAOYSA-N 252.274 -0.092 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cncs1 745996456 YHCJQRIZGFAQKM-UHFFFAOYSA-N 256.287 -0.170 50 20 CBGD NC(=O)c1ccc(C=NNC(=O)C(=O)N2CCCC2)cc1 748136786 QFKNOKXSWXTZIJ-UHFFFAOYSA-N 288.307 -0.142 50 20 CBGD CCOCCNC(=S)NNC(=O)NCCCOC 751001996 BNCQHQUSZRJNDW-UHFFFAOYSA-N 278.378 -0.262 50 20 CBGD C[C@H](CC(=O)NNC(=O)CO)NC(=O)c1ccccc1 753443086 RRIRJEODCBMGIN-SECBINFHSA-N 279.296 -0.665 50 20 CBGD COCC(=O)NNC(=O)Nc1ccc(F)c(C(N)=O)c1 755806320 XKTPUPOFTVRTFB-UHFFFAOYSA-N 284.247 -0.276 50 20 CBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccon1 757852904 VQSFHWLFGIUHCR-ZCFIWIBFSA-N 288.285 -0.738 50 20 CBGD CC(=O)N1CC[C@](C)(C(=O)NNC(=O)C(C)(C)O)C1 768244591 MJXPPHBBXPQJQR-LBPRGKRZSA-N 271.317 -0.837 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)C[C@H]1O 768767846 NWQUPFMYRCYDBA-BXKDBHETSA-N 295.314 -0.101 50 20 CBGD O=C(CO)NN=C1C(=O)Nc2cc3c(cc21)OCCCO3 776780431 IXKZVNNXADZYAF-UHFFFAOYSA-N 291.263 -0.387 50 20 CBGD O=C(NNC(=O)c1cccn2c(O)nnc12)c1ccc[nH]1 780855906 LLXBZVVYZKCMGD-UHFFFAOYSA-N 286.251 -0.162 50 20 CBGD O=C(NNc1ccnc(F)c1)C1=NN(CCO)C(=O)CC1 781359443 NKXGKHFQWXHHFO-UHFFFAOYSA-N 295.274 -0.366 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@H](C)C#N 781943263 BNKNCOSXSQEXDU-RKDXNWHRSA-N 272.305 -0.472 50 20 CBGD C[C@@H](NC(=O)COC(=O)/C(C#N)=C\C1CC1)C(=O)N(C)C 786680211 WDUKXEAOVRENOB-NJQKBMNKSA-N 293.323 -0.018 50 20 CBGD Cn1ccnc(NNC(=O)c2cccc(O)c2O)c1=O 790856424 DDYTYPCVPREDGV-UHFFFAOYSA-N 276.252 -0.052 50 20 CBGD COC[C@@H](CO)NC(=O)NNC(=O)C1CCCC1 793079541 NQNBMJWEXKLXKK-SECBINFHSA-N 259.306 -0.486 50 20 CBGD O=C(Cn1cccnc1=O)NNc1cccc(F)n1 804773262 HSZQADJVXIAHIC-UHFFFAOYSA-N 263.232 -0.079 50 20 CBGD COC[C@@H](C)[C@H](C)C(=O)NNC(=O)N1CCN(C)CC1 812557229 RNOQRRPSZXEVPJ-MNOVXSKESA-N 286.376 -0.107 50 20 CBGD CC[C@@H](CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)OC 812594548 GUGSSNJLQCHCND-ONGXEEELSA-N 293.389 -0.208 50 20 CBGD O=C(CCCNC(=O)C1CC1)NNc1nc[nH]n1 816633078 MPZORMXCNBFGMO-UHFFFAOYSA-N 252.278 -0.446 50 20 CBGD COC[C@@H](OC)C(=O)NNc1nccc(OC)n1 821485957 OJWQYLIQNQDPBG-SSDOTTSWSA-N 256.262 -0.410 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=O)c1cccc(C#N)c1 826089872 QOJYDRIOZXGQLZ-LLVKDONJSA-N 277.280 -0.019 50 20 CBGD COC[C@@H](OC)C(=O)NNc1nc2ccccn2n1 834351163 ILGQCWKGMAWMHR-MRVPVSSYSA-N 265.273 -0.166 50 20 CBGD CC1=C(C(=O)NNC(=O)N(C)C)[C@H](C)n2nnnc2N1C 847403034 ONZXKYOJWBXAEK-ZETCQYMHSA-N 294.319 -0.740 50 20 CBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1cc(Cl)nc(N)n1 847707623 YMIVPOZKYTYXTQ-WHFBIAKZSA-N 284.707 -0.333 50 20 CBGD O=C1C[C@H](C(=O)NNc2nc[nH]n2)[C@H]2CCCC[C@H]2N1 857261097 HJAJVSCKSJCGMN-HRDYMLBCSA-N 278.316 -0.057 50 20 CBGD CCc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1O 862457229 DNDORKYSKUBOLA-JTQLQIEISA-N 291.307 -0.006 50 20 CBGD Cc1nc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)sc1C 862458214 AJPCCQXSLMBKPZ-SSDOTTSWSA-N 282.325 -0.200 50 20 CBGD Cc1cc(=NNC(=O)CN2CCOCC2=O)cc[nH]1 862512276 OWUXLBKOSHPTII-UHFFFAOYSA-N 264.285 -0.886 50 20 CBGD Cc1cccc(NNC(=O)CN2CCN(C)C(=O)C2)n1 862520663 ARCMZAXUKOHAHB-UHFFFAOYSA-N 277.328 -0.393 50 20 CBGD COC(=O)C(C)(C)CNC(=O)c1cc(B(O)O)ccc1F 863876970 NZLGVIMIARIJBD-UHFFFAOYSA-N 297.091 -0.566 50 20 CBGD CNC(=O)[C@@H](CO)NS(=O)(=O)CC(C)(C)CCl 867107645 RORWABWWDWMPEH-SSDOTTSWSA-N 286.781 -0.722 50 20 CBGD CCN1CC[C@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)C1=O 868838786 QMXWSRMICGSPSY-UWVGGRQHSA-N 298.343 -0.493 50 20 CBGD COC(=O)N(C)NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 875237022 HFAQGQUCNLWOBG-NXEZZACHSA-N 286.332 -0.238 50 20 CBGD CCN(CCO)NC(=O)c1cnn2cc(C)cnc12 911440510 UPEVOWUKEWOKPX-UHFFFAOYSA-N 263.301 -0.003 50 20 CBGD CC[C@H](CO)NCC(=O)NNC(=O)c1ccccc1 916571278 CPKIHWYQNNSVRM-LLVKDONJSA-N 265.313 -0.192 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CCN1CCCS1(=O)=O 918323860 PLWKEJMBOBJOOM-UHFFFAOYSA-N 291.373 -0.395 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H](C)n2ccnc2)n[nH]1 1116410486 IYHQKXLMVYLOQB-MRVPVSSYSA-N 262.273 -0.063 50 20 CBGD O=C(CCCn1cccn1)NNC(=O)[C@@H]1CCC(=O)N1 1118884292 DNOCOAQZPSRGPS-VIFPVBQESA-N 279.300 -0.911 50 20 CBGD O=C(NNc1ncnc2[nH]cnc12)c1ncccn1 1119496550 QHTDFQCYRVMESL-UHFFFAOYSA-N 256.229 -0.100 50 20 CBGD CNC(=O)NNC(=O)c1ccc(C(=O)N(C)C)cc1 1251586144 OFLLKNOHDFHEKQ-UHFFFAOYSA-N 264.285 -0.038 50 20 CBGD CC(=O)c1cccc(C(=O)NNC(=O)C(=O)NC2CC2)c1 1319227827 UZSRKPIHDZHOSE-UHFFFAOYSA-N 289.291 -0.071 50 20 CBGD C[C@@H](C#N)CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 1320093091 PQNXUNBNSZBWAN-WPRPVWTQSA-N 274.346 -0.473 50 20 CBGD COCC(=O)NN=C(C)C1CCS(=O)(=O)CC1 1320446747 YQGGMRALBVGPAT-UHFFFAOYSA-N 262.331 -0.050 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)c2ccncc2)cn1 1324553938 YHXVCGTZAULIIH-UHFFFAOYSA-N 285.263 -0.350 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CCn2ccnc2C1 1329551421 PIIFYOAPKBOFLJ-SNVBAGLBSA-N 296.327 -0.744 50 20 CBGD C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329645032 QKTGHCNHBGLOIW-YIZRAAEISA-N 281.312 -0.582 50 20 CBGD CS(=O)(=O)c1cccnc1N1CC[C@@H](B(O)O)C1 1329671255 IDRSTCDHVWYSAP-MRVPVSSYSA-N 270.119 -0.462 50 20 CBGD CCc1cc(C(=O)NNC(=O)CN2CCCC2=O)nn1C 1333427225 ZEHMWUQCBCZNHX-UHFFFAOYSA-N 293.327 -0.634 50 20 CBGD CO[C@]1(C(=O)NNC(=O)c2cn[nH]c2)CCSC1 1338076723 TXVGXXMXTWWIQX-SNVBAGLBSA-N 270.314 -0.307 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1conc1COC 1345659980 HNOVGNUZSCHMAX-SSDOTTSWSA-N 299.283 -0.076 50 20 CBGD Cn1nncc1NNC(=O)Cc1ccc(-n2cnnn2)cc1 1347710185 UYDWNQIHQZAOPI-UHFFFAOYSA-N 299.298 -0.523 50 20 CBGD CCn1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C)n1 1348479067 QFAHYRCNHGWQSE-VIFPVBQESA-N 279.300 -0.749 50 20 CBGD NCC[C@H]1CCCCN1CC(=O)NNC(=O)C1CC1 1349388416 BZYQYSLFEIYBPP-LLVKDONJSA-N 268.361 -0.253 50 20 CBGD Cc1nnc(NNC(=O)[C@@H]2CCc3nccn3C2)nc1O 1351121874 UWYRHRAWOVIXJL-MRVPVSSYSA-N 289.299 -0.212 50 20 CBGD O=C1CC[C@@H](CC(=O)NNc2ncncc2F)CN1 1351245134 OZHHYDNDUWUNNV-ZETCQYMHSA-N 267.264 -0.025 50 20 CBGD COc1ccccc1OCC(=O)NNC(=O)[C@H](C)N 1574048024 BTOZKGXQOMLILT-QMMMGPOBSA-N 267.285 -0.431 50 20 CBGD N[C@@H]1[C@@H](C(=O)NNC(=O)c2cn[nH]c2)[C@H]2C=C[C@H]1C2 1574284498 RFSFACMVLVRDFI-YIKMNZTOSA-N 261.285 -0.680 50 20 CBGD O=C(NNC(=O)c1cnccc1-c1nn[nH]n1)c1ccoc1 1593159509 QGKYTVNQAWICBZ-UHFFFAOYSA-N 299.250 -0.071 50 20 CBGD CC[C@H](C)[C@H](NNC(=O)[C@H]1COCCO1)C(=O)O 1604942622 CGODMFBZVUHNLO-YIZRAAEISA-N 260.290 -0.478 50 20 CBGD Cn1c(C(=O)O)ccc1C(=O)NNC(=O)c1ncon1 1608083865 QGUVRAADYWEPQC-UHFFFAOYSA-N 279.212 -0.819 50 20 CBGD Cc1ccc(C(=O)O)cc1NC(=O)NNC(=O)CO 1610489128 ZLADAAPKJFWYOB-UHFFFAOYSA-N 267.241 -0.162 50 20 CBGD Cn1nc(C(=O)O)cc1C=NNC(=O)c1ncon1 1776105976 LRGCAOJQXNDYSN-UHFFFAOYSA-N 264.201 -0.735 50 20 CBGD NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 73188899 KZLRGFLERZKPKQ-UHFFFAOYSA-N 291.355 -0.102 50 20 CBGD CCOc1ncccc1C(=O)NNC(=O)CN(C)C 75653080 WSBBWTJHQGTEKM-UHFFFAOYSA-N 266.301 -0.197 50 20 CBGD O=C1NC[C@H]2CN(S(=O)(=O)CCCCl)CCN12 91758732 XQPZJSNUXFNUPW-QMMMGPOBSA-N 281.765 -0.346 50 20 CBGD Cn1cc(C(=O)NNC(=O)CNC(=O)CC(C)(C)C)cn1 117820025 QBFGDJWBBRERFO-UHFFFAOYSA-N 295.343 -0.267 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cn(C)cn2)n1 178164364 CANLQGCIKNIXJH-UHFFFAOYSA-N 276.300 -0.305 50 20 CBGD COc1ccc(CCC(=O)NNC(=O)CO)cc1 180963875 SNIDPXNCOPUVKD-UHFFFAOYSA-N 252.270 -0.233 50 20 CBGD O=C(CO)NNC(=O)c1cccc(-n2ccnn2)c1 182770287 ZFSZZMZFHWJPNG-UHFFFAOYSA-N 261.241 -0.979 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC=CCC1 264181311 YTKQVJOBXJFTQY-IUCAKERBSA-N 289.357 -0.572 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(O)c([N+](=O)[O-])c1 274956998 QVBRWSCCGQEJKC-UHFFFAOYSA-N 282.256 -0.377 50 20 CBGD CO[C@H](CN)CC(=O)NNc1nc(C)cc(C)n1 278228857 RIYXCACVJAUSNQ-VIFPVBQESA-N 253.306 -0.100 50 20 CBGD CO[C@H](C)CS(=O)(=O)NNC(=O)c1cccc(C)n1 282145412 DZVKZNDOLYSAQZ-SECBINFHSA-N 287.341 -0.011 50 20 CBGD CCC(=O)N1CC[C@@H](C(=O)NN(C)C(=O)OC)C1 285778470 AQUGWKSJXJYUAE-MRVPVSSYSA-N 257.290 -0.026 50 20 CBGD COC(=O)COCC(=O)NNC(=O)c1cccc(C)n1 287971548 INTBNSJFEHTCTL-UHFFFAOYSA-N 281.268 -0.659 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H](C)n2cncn2)O1 293787711 BWBBSGOTLASLLR-YIZRAAEISA-N 267.289 -0.446 50 20 CBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@@H]1CCCCO1 295654972 VKBZVAXATCRLCM-YIZRAAEISA-N 270.285 -0.488 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)c2cccnc2)C1 363583193 OEXBOCCKUQTXBV-NSHDSACASA-N 278.312 -0.437 50 20 CBGD C[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@H]1CCCO1 584930229 YDLCYXJWAVXLOK-QPUJVOFHSA-N 281.092 -0.197 50 20 CBGD NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(B(O)O)c1 584960163 IZDVPTCGXUDSKC-NEPJUHHUSA-N 290.128 -0.860 50 20 CBGD CC[C@@](C)(CCO)NC(=O)c1cccc(B(O)O)c1 584970654 FECSJMFQLRHYQZ-ZDUSSCGKSA-N 265.118 -0.353 50 20 CBGD C[C@@H]1[C@H](CO)CCCN1C(=O)c1ccc(B(O)O)cc1 584999635 GOAIYRNYZFZHRL-PWSUYJOCSA-N 277.129 -0.401 50 20 CBGD O=C1CCCN1CCCNCc1ccc(B(O)O)o1 585014297 MYEGLULEESNVMY-UHFFFAOYSA-N 266.106 -0.939 50 20 CBGD CN(C)C(=O)CCCNCc1ccc(B(O)O)cc1 585021913 QCJUXBCXRURLGA-UHFFFAOYSA-N 264.134 -0.676 50 20 CBGD OB(O)c1ccc(CNC[C@H]2CCCC[C@H]2O)o1 585025584 XXAANHPHFUNMDW-MWLCHTKSSA-N 253.107 -0.400 50 20 CBGD O=C1CC[C@H](NCc2ccc(B(O)O)o2)[C@H](C2CC2)N1 585041707 GCGNEBKVWRJQRH-GWCFXTLKSA-N 278.117 -0.894 50 20 CBGD O=C1C[C@@H](NCc2ccc(B(O)O)o2)[C@H]2CCCCN12 585041810 HDDGAWZWVHPYFN-GHMZBOCLSA-N 278.117 -0.798 50 20 CBGD CCNC(=O)[C@@H](NCc1cccc(B(O)O)c1)C(C)C 585043350 NEOUQMKVBBHEJP-ZDUSSCGKSA-N 278.161 -0.383 50 20 CBGD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCB(O)O 585056310 SMAIZHVCKUPNLR-UHFFFAOYSA-N 278.026 -0.976 50 20 CBGD COc1ccc(CCC(=O)NCB(O)O)cc1OC 585058679 MNVBDXSZPMZREY-UHFFFAOYSA-N 267.090 -0.235 50 20 CBGD O=C(CCN1CCN(c2ccccc2)CC1)NCB(O)O 585061583 WDSCWDWSYJFZOS-UHFFFAOYSA-N 291.160 -0.673 50 20 CBGD O=C(COC[C@H]1CCCO1)NNc1ncnc2[nH]cnc12 743471458 ISJROAQBVYHFHO-MRVPVSSYSA-N 292.299 -0.008 50 20 CBGD CCN(C)C[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 744423317 DBRQMZZRRSLWEZ-NSHDSACASA-N 282.388 -0.183 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C(C)(C)C 758040171 OJRTXGVGKINLRV-HTQZYQBOSA-N 293.389 -0.246 50 20 CBGD CCS(=O)(=O)c1cccc(CC(=O)NNC(=O)NC)c1 763750086 HHQVTWNPPAPNSY-UHFFFAOYSA-N 299.352 -0.017 50 20 CBGD Cc1cc(C)c2[nH]cc(C(=O)NNC(=O)CO)c(=O)c2c1 776189023 XHSGLFSUWQGHSI-UHFFFAOYSA-N 289.291 -0.102 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](C)O[C@@H](COC)C1 784374022 UOCUHEPSVMSHAU-GARJFASQSA-N 287.360 -0.332 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCOC[C@H]1CCCO1 787949279 DPIDVKWFUYZNSE-SECBINFHSA-N 274.317 -0.510 50 20 CBGD CCCn1cc(C(=O)NNC(=O)N2CCN(C)CC2)nn1 807379989 LPQDZEODDACFJP-UHFFFAOYSA-N 295.347 -0.710 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)c2cc(C)[nH]n2)c[nH]1 815886918 MZNOXCFTSVAJNZ-UHFFFAOYSA-N 291.267 -0.092 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccc2c(c1)C(=O)NCCO2 822556452 FXYCFDBKNSGZNS-VIFPVBQESA-N 293.323 -0.234 50 20 CBGD CCC(F)(F)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 823435680 ZBRNMLIVISENBL-LURJTMIESA-N 299.299 -0.451 50 20 CBGD CCOC(=O)[C@@H](CC(=O)NN(C)[C@H](C)CO)C(C)=O 823921882 DMXLAZWPAXPXRI-SCZZXKLOSA-N 274.317 -0.511 50 20 CBGD C[C@H](CO)N(C)NC(=O)COCc1ccnn1C 823922438 KUGITTVBPOBDJX-SECBINFHSA-N 256.306 -0.720 50 20 CBGD COC(=O)Cc1occc1C(=O)NN(C)[C@@H](C)CO 823927563 APZQPNHEMRBTRM-QMMMGPOBSA-N 270.285 -0.048 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)[C@H]1CC(=O)N(C2CC2)C1 833255738 IAXHNKCDSPHVSD-GXSJLCMTSA-N 295.339 -0.286 50 20 CBGD CC(C)[C@@H](N)CCN(C)CC(=O)NNC(=O)C1CC1 843355239 XEIATXHNSZNUIO-NSHDSACASA-N 270.377 -0.151 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)SCCC(=O)NC 845331670 CPDJZOJNSHCXBM-ZETCQYMHSA-N 261.347 -0.198 50 20 CBGD Nc1nccnc1C(=O)NNC(=S)NCC1CCC1 855091440 QDBNXRGTGCVCPW-UHFFFAOYSA-N 280.357 -0.032 50 20 CBGD O=C(CN1CCCCC1=O)NNC(=O)c1cn[nH]c1 862475122 ZITPEJXVXHIKOH-UHFFFAOYSA-N 265.273 -0.817 50 20 CBGD O=C1CC[C@H](C(=O)NN=Cc2ccc(O)c(O)c2O)N1 863144822 BFGDYRUFABWAMH-SSDOTTSWSA-N 279.252 -0.468 50 20 CBGD O=C(CCOCC(F)F)NNC(=O)c1cccnn1 882056717 DALPUVOPSUJWSZ-UHFFFAOYSA-N 274.227 -0.091 50 20 CBGD COc1nn(C)cc1C(=O)NNC(=O)NC(C)C 883959185 WMUAWSVRRQOPEO-UHFFFAOYSA-N 255.278 -0.219 50 20 CBGD CC(C)CC(=O)NNC(=O)CN1CCCNC1=O 915259798 ZWUZGTSNOJGSTG-UHFFFAOYSA-N 256.306 -0.405 50 20 CBGD CCONC(=O)NN[C@]1(C)CCS(=O)(=O)C1 1116681418 VWZZLRMLBBTBEG-MRVPVSSYSA-N 251.308 -0.681 50 20 CBGD Nc1cnnc(NNC(=O)[C@@H]2CNCCO2)c1Cl 1118202247 TZAZNFUQNVWSFI-LURJTMIESA-N 272.696 -0.856 50 20 CBGD CCO/C=C(/C#N)C(=O)NCC1CN(S(C)(=O)=O)C1 1255303101 FFVCBHSCZSJKAY-NTMALXAHSA-N 287.341 -0.562 50 20 CBGD O=C(NCCCN1CCCC1)NNC(=O)c1cccnn1 1262031669 YRKAYGAZPLLYPU-UHFFFAOYSA-N 292.343 -0.094 50 20 CBGD O=C(C[C@@H]1COC(=O)C1)NNC(=O)c1cccnc1 1319315219 ZXIBDCUKWBBSPU-QMMMGPOBSA-N 263.253 -0.204 50 20 CBGD Cn1nnc2cc(C(=O)NNc3ncccn3)cnc21 1320793808 YLERQIDGYRENOY-UHFFFAOYSA-N 270.256 -0.090 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1321415376 RTZLJXCMANYFPW-SSDOTTSWSA-N 277.371 -0.898 50 20 CBGD CS(=O)(=O)CCSCC(=O)NNC(=O)C1CC1 1322093942 VUYXUXFPVMUIKN-UHFFFAOYSA-N 280.371 -0.678 50 20 CBGD CN(C)CC(=O)NNC(=O)c1c[nH]cc(Cl)c1=O 1322721458 XLBHWLWQSYFDPF-UHFFFAOYSA-N 272.692 -0.649 50 20 CBGD C[C@@H]1CC(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C[C@@H](C)O1 1329174796 ZYPSNMUYMUDWIE-MRTMQBJTSA-N 298.343 -0.449 50 20 CBGD COc1cc(CCC(=O)NNC(=O)Cc2cc[nH]n2)on1 1333955039 AUTLHAGJXTYYLY-UHFFFAOYSA-N 293.283 -0.271 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1cnoc1C1CC1 1335369435 ZXGQUDXKTWFNTQ-UHFFFAOYSA-N 287.297 -0.642 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cnn([C@H](C)C2CC2)c1 1338443751 IQCSXXDHSQOHNV-SSDOTTSWSA-N 279.300 -0.040 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCC(=O)NC1 1342860729 LWKWVENRLUBZFO-HTQZYQBOSA-N 285.300 -0.998 50 20 CBGD CN1CCC(NC(=O)NNC(=O)c2cn[nH]c2)CC1 1348099017 QDSHEBZBHFIERP-UHFFFAOYSA-N 266.305 -0.552 50 20 CBGD Cn1ccc(C(=O)NNC(=O)C2CCOCC2)n1 1350294723 SKWRGWKDIZIZDP-UHFFFAOYSA-N 252.274 -0.392 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)CN2CCC(N)CC2)n1 1580468994 OPPOFFKKVDQITN-UHFFFAOYSA-N 299.766 -0.422 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@H](C)C(=O)O)n[nH]1 1594300596 QDKXGLWYMNVMDF-ZCFIWIBFSA-N 254.246 -0.871 50 20 CBGD CC[C@H](C(=O)O)C(=O)NNc1ncnc2[nH]cnc12 1594755284 FMQIIGBGBJKLNL-YFKPBYRVSA-N 264.245 -0.093 50 20 CBGD O=C(CO)NNC(=O)Nc1cc(C(=O)O)ccc1F 1601330030 HQANKUUFTAYWQH-UHFFFAOYSA-N 271.204 -0.331 50 20 CBGD C[C@@H](C(=O)O)N(C)CC(=O)NNC(=O)c1ccccc1 54068849 JIRFAMAUICNMSJ-VIFPVBQESA-N 279.296 -0.148 50 20 CBGD CNC[C@@H]1CCN(CC(=O)NNC(=O)c2ccccc2)C1 71145344 OYAJYCBFYKDKNW-LBPRGKRZSA-N 290.367 -0.011 50 20 CBGD C[C@H](O)c1cn(CC(=O)NNC(=O)c2ccccc2)nn1 124711124 ZNOQWOUKYIBGJH-VIFPVBQESA-N 289.295 -0.207 50 20 CBGD Cc1cc(C)nc(NNC(=O)CCn2ncn(C)c2=O)n1 293170124 VDJUQCHIUKKSFP-UHFFFAOYSA-N 291.315 -0.478 50 20 CBGD Cc1nonc1C(=O)NNC(=O)[C@@H]1CCCCO1 295636337 SXBIOZSLFMTVTH-ZETCQYMHSA-N 254.246 -0.292 50 20 CBGD CCOC(=O)CC(=O)NNC(=O)CNC(=O)c1ccco1 298273069 KXCNVLFTCCKAFY-UHFFFAOYSA-N 297.267 -0.890 50 20 CBGD COC(=O)N(C)NC(=O)[C@]1(C)CCN(C(C)=O)C1 375982964 DXVLJPWYMDAFHU-LLVKDONJSA-N 257.290 -0.026 50 20 CBGD COC(=O)NCC(=O)NNc1ncnc2[nH]cnc12 491848570 POVKMPWISIROEJ-UHFFFAOYSA-N 265.233 -0.848 50 20 CBGD CCO[C@@H]1C[C@@H]1NC(=O)c1cc(B(O)O)ccc1F 584981090 BNPCPJPGOXEOAM-WDEREUQCSA-N 267.065 -0.587 50 20 CBGD CCN1C[C@H](C)N(C(=O)c2ccc(B(O)O)cc2)[C@H](C)C1 584998001 NKOYZFXYFGEPJV-TXEJJXNPSA-N 290.172 -0.079 50 20 CBGD CC(C)NC(=O)[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F 584998787 AOJJNEAHNDILKY-MRVPVSSYSA-N 296.107 -0.852 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)o1)[C@@H](C)n1cncn1 585020417 WQGUEEKQARBLSV-RKDXNWHRSA-N 264.094 -0.710 50 20 CBGD Cc1cc(F)ccc1-n1cc(C(=O)NCB(O)O)nn1 585062035 BSQVWZKOJJMQPT-UHFFFAOYSA-N 278.052 -0.543 50 20 CBGD O=C(CCN1C(=O)CCC1=O)NNC(=O)c1ccc[nH]1 726629925 DVFAWZTUTVWEOG-UHFFFAOYSA-N 278.268 -0.685 50 20 CBGD C[C@H](C(=O)NNC(=O)c1cccn1C)N1C(=O)CCC1=O 727728052 OEHLBPATSJGKPU-MRVPVSSYSA-N 292.295 -0.676 50 20 CBGD CCCC[C@H](NC(N)=O)C(=O)NNC(=O)c1c[nH]nc1C 731879645 SIUMVMTUWMNVFD-VIFPVBQESA-N 296.331 -0.294 50 20 CBGD CCC(=O)NNS(=O)(=O)c1c[nH]c(C(=O)OC)c1 743249887 RFEUNELSWAUTOL-UHFFFAOYSA-N 275.286 -0.479 50 20 CBGD C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1nccn(C)c1=O 747938794 ZMTLNDNJTKTRAM-ZJUUUORDSA-N 296.327 -0.193 50 20 CBGD CCS(=O)(=O)NCC(=O)NNC(=O)CC1CCCC1 764067483 FOXTZJUIGNFJHH-UHFFFAOYSA-N 291.373 -0.347 50 20 CBGD CC(=O)NNC(=O)CCCNC(=O)c1cccnc1 772221741 UQQWGYDRFLMSQW-UHFFFAOYSA-N 264.285 -0.241 50 20 CBGD O=C(Cn1nc2ccccn2c1=O)NNc1cccnn1 779207091 XMICGEQBZXOSSJ-UHFFFAOYSA-N 285.267 -0.571 50 20 CBGD NC(=O)C(=O)NN=Cc1ccc(C(=O)O)cc1Cl 783788818 YTRDJUACSUBEIZ-UHFFFAOYSA-N 269.644 -0.026 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)Cc2cccnc2)C1 788446096 OWALIIDYCKNDAI-UHFFFAOYSA-N 276.296 -0.750 50 20 CBGD CC[C@@]1(NCC(=O)NNC(=O)C2CC2)CCOC1 792443015 SJZXAIKOQMFTTI-GFCCVEGCSA-N 255.318 -0.298 50 20 CBGD COCCS(=O)(=O)NNC(=O)c1cccc(C)n1 794599810 OQENKYYFAKNKRS-UHFFFAOYSA-N 273.314 -0.399 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](C)CN(C)C 807576566 SYALRPZAUURBBX-VHSXEESVSA-N 290.364 -0.682 50 20 CBGD COCCN(C)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 808075356 WARFGCXWTVRXAG-CYBMUJFWSA-N 298.343 -0.684 50 20 CBGD CNC(=O)NCCC(=O)NNC(=O)c1ccncc1 814184842 IIRYKRHCUMMRQR-UHFFFAOYSA-N 265.273 -0.838 50 20 CBGD COCCN(C)NC(=O)C1(S(C)(=O)=O)CC1 816561469 ZAGLLVJGEOLACS-UHFFFAOYSA-N 250.320 -0.827 50 20 CBGD O=C(C[C@@H]1CCC(=O)N1)NNC(=O)c1ccccn1 816808183 FJKATCCEWLFYFC-QMMMGPOBSA-N 262.269 -0.489 50 20 CBGD CCN(CCO)NC(=O)/C(C#N)=C\c1cnn(C)c1 823889408 VOPBHBPJNWHBPA-WDZFZDKYSA-N 263.301 -0.328 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=O)c1cc(C)[nH]n1 831418919 UKYKMZMBDAJWSG-MRVPVSSYSA-N 256.262 -0.859 50 20 CBGD C[C@@H](N)[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 843365485 MHCASNMAIZUUDO-PSASIEDQSA-N 254.334 -0.787 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](N)[C@H](CC)C1 843377689 SLJBFAKYCJEKTI-HBNTYKKESA-N 270.377 -0.009 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CC1OCCCO1 843657568 POTWMESRPGKNGR-DTWKUNHWSA-N 272.301 -0.288 50 20 CBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)NC1CCCC1 847400915 ATJKJBYNIUNRDE-RKDXNWHRSA-N 268.317 -0.229 50 20 CBGD CCCC[C@H](NC(N)=O)C(=O)NN(C)C(=S)NC 854925077 AFLSKUYLCCACEF-ZETCQYMHSA-N 275.378 -0.319 50 20 CBGD Cn1cc([C@H](O)C(=O)NNC(=S)NCC2CCC2)cn1 855090136 QHHVRCBNYBZPGM-JTQLQIEISA-N 297.384 -0.251 50 20 CBGD COCC[C@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858171800 VBZQPUHCFSNGCK-JGVFFNPUSA-N 272.305 -0.980 50 20 CBGD CC(C)[C@H](NC=O)C(=O)NNc1nc2ccccn2n1 861294706 CGUBMYJCLYXAPJ-JTQLQIEISA-N 276.300 -0.057 50 20 CBGD CC(C[C@H]1CCCC(=O)N1)=NNC(=O)[C@@H]1CCC(=O)N1 863151323 KPONWQYTVYRDNP-ZJUUUORDSA-N 280.328 -0.184 50 20 CBGD O=C1NCCC[C@@H]1C(=O)NNc1ncc(F)cn1 867042834 CQYNJCDQYRDCOU-ZETCQYMHSA-N 253.237 -0.415 50 20 CBGD CC(C)OCCNC(=O)c1cc(B(O)O)ccc1F 867389834 AUBKGADWJVTBOR-UHFFFAOYSA-N 269.081 -0.340 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H](OC)C1CC1 869906282 KKRDLEKUCFGIOU-JTQLQIEISA-N 260.290 -0.778 50 20 CBGD COC(=O)N(C)NC(=O)NCCN1CCSCC1 875274685 ITKOOFSVOMZRPK-UHFFFAOYSA-N 276.362 -0.052 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCOC[C@@H](C)C1 932364403 UVRBEYUPRNWIJV-JTQLQIEISA-N 257.334 -0.242 50 20 CBGD Cc1nc(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n[nH]1 1118712107 HCNHOIAQUQLTTR-SVRRBLITSA-N 267.289 -0.772 50 20 CBGD CCCNC(=O)CCCC(=O)N1CC[C@@H](B(O)O)C1 1118974626 IJLXBYDAPLQJSX-SNVBAGLBSA-N 270.138 -0.242 50 20 CBGD C=CCNC(=S)NNC(=O)c1ccc(=O)n(C)n1 1317702891 HQOMMJCGSQZFFY-UHFFFAOYSA-N 267.314 -0.925 50 20 CBGD C[C@H]1C[C@@H](C(=O)NNc2ccc(C(N)=O)nn2)CCO1 1320082054 ZKQZAELIDFMNKO-YUMQZZPRSA-N 279.300 -0.166 50 20 CBGD CC(=NNC(=O)N1CCOCC1)c1ccc(O)nn1 1321828171 AGSHSFMZZMIANX-UHFFFAOYSA-N 265.273 -0.052 50 20 CBGD CC(C)C(=O)NNC(=O)Cn1cc([C@@H](C)O)nn1 1323944315 WLNJMLFRLRNUSP-SSDOTTSWSA-N 255.278 -0.865 50 20 CBGD Cn1nc(NC(=O)NNC(=O)CCO)cc1C1CC1 1325889064 JWEJGAYNYVCQTL-UHFFFAOYSA-N 267.289 -0.167 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1cn(C)cn1 1326487671 WKJBWIAZGSFPAZ-SFYZADRCSA-N 288.329 -0.845 50 20 CBGD O=C(NC[C@H]1COCCO1)NNC(=O)c1cccc(F)n1 1327524809 KASYFACKDXNSTD-QMMMGPOBSA-N 298.274 -0.420 50 20 CBGD COC(=O)c1ccc(C(=O)NNc2cnnn2C)o1 1327873882 JSMKNISUFQXIKX-UHFFFAOYSA-N 265.229 -0.048 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)Cc1cn(C)nn1 1329911383 LMUFSUOZSJDRFL-SCZZXKLOSA-N 296.331 -0.587 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1c[nH]c(C(N)=O)c1 1332483379 FLLDGYRALSCQEI-POYBYMJQSA-N 280.284 -0.700 50 20 CBGD COC(=O)NNC(=O)c1ncc(-c2nn[nH]n2)cc1C 1579466244 JDZTZCZBBUBSNA-UHFFFAOYSA-N 277.244 -0.429 50 20 CBGD O=C(O)CCNC(=O)NNC(=O)[C@H]1CCCS1 1595059160 FDEVFOYPNCUFLO-ZCFIWIBFSA-N 261.303 -0.313 50 20 CBGD C[C@H](NC(=O)NNC(=O)C(=O)O)c1ccccn1 1599894039 KGVIUNDQSMURLG-LURJTMIESA-N 252.230 -0.442 50 20 CBGD O=C(CN1CCOC1=O)NNc1ccc(C(=O)O)cn1 1601316508 LSPGLMVHHZNUAB-UHFFFAOYSA-N 280.240 -0.325 50 20 CBGD C[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H](C(=O)O)C1 1604749636 UOCDZZBOTKJSQJ-SKDRFNHKSA-N 291.112 -0.308 50 20 CBGD CCCC[C@@H](NC(N)=O)C(=O)NNC(=O)[C@@H]1CCCO1 49182260 LMESNEVARLKQIH-BDAKNGLRSA-N 286.332 -0.460 50 20 CBGD COCCCNC(=O)NNC(=S)N[C@H](C)COC 144933880 XIWOXQQSFPPSHM-MRVPVSSYSA-N 278.378 -0.264 50 20 CBGD CN(C)C(=O)CNC(=O)C(=O)NNc1ccccc1F 155551859 ZMILEBMPBCREIB-UHFFFAOYSA-N 282.275 -0.527 50 20 CBGD CCN1CCO[C@@H](C(=O)NNC(=O)NCc2ccco2)C1 174297100 YJZRIGRMUGLFDB-LLVKDONJSA-N 296.327 -0.169 50 20 CBGD CN(NC(=O)CNC(=O)c1cc(F)cc(F)c1)C(N)=O 179694599 SCWKKVATXMODLC-UHFFFAOYSA-N 286.238 -0.264 50 20 CBGD CC[C@@H]1CC[C@@H](C(=O)NNc2ccc(C(N)=O)nn2)O1 268101687 BFYQDHXAWGBDQG-APPZFPTMSA-N 279.300 -0.024 50 20 CBGD COc1ccnc(NNC(=O)[C@@]2(O)CCSC2)n1 270803465 OJRDMJANDRNOGH-SNVBAGLBSA-N 270.314 -0.204 50 20 CBGD CC(=O)N1CC[C@](C)(C(=O)Nc2cccc(B(O)O)c2)C1 584913492 YAKWVULRHOCWAC-AWEZNQCLSA-N 290.128 -0.437 50 20 CBGD CN1CCC[C@@H]1CNC(=O)c1cccc(B(O)O)c1 584945977 NJZVXTKNKWFBGD-GFCCVEGCSA-N 262.118 -0.810 50 20 CBGD C[C@H]1CN(C)C[C@H]1NC(=O)c1cc(B(O)O)ccc1F 584957913 KGKKTVGJMWMJJH-QPUJVOFHSA-N 280.108 -0.815 50 20 CBGD COCCC1CN(C(=O)c2ccc(B(O)O)c(F)c2)C1 585002086 MGTVADDJDNBVHN-UHFFFAOYSA-N 281.092 -0.386 50 20 CBGD CS[C@H](CO)[C@@H](C)NCc1ccc(B(O)O)cc1 585027856 FCSGKIRRUWQPHZ-BXKDBHETSA-N 269.175 -0.432 50 20 CBGD CCN1CCN(CCCNCc2ccc(B(O)O)o2)CC1 585032319 FJZLTWLUJBWHGN-UHFFFAOYSA-N 295.192 -0.923 50 20 CBGD OB(O)c1ccc(CNC[C@@H]2CCN2C2CC2)c(F)c1 585050401 XPDCZSQHUMBBIZ-ZDUSSCGKSA-N 278.136 -0.168 50 20 CBGD CCCS(=O)(=O)c1ccccc1C(=O)NCB(O)O 585056094 OXFKFNIRPNVENA-UHFFFAOYSA-N 285.130 -0.388 50 20 CBGD O=S(=O)(N1CCCCC1)N1CC[C@H](B(O)O)C1 585058321 XSZAZHPKQJMLQA-VIFPVBQESA-N 262.140 -0.734 50 20 CBGD C[C@H]1CCCCN1S(=O)(=O)N1CC[C@H](B(O)O)C1 585058355 YOUHYLOXYIUSIL-UWVGGRQHSA-N 276.167 -0.346 50 20 CBGD O=C(NCB(O)O)c1cccn(Cc2ccccc2)c1=O 585062245 SJJNWTRFUHYZSN-UHFFFAOYSA-N 286.096 -0.362 50 20 CBGD N[C@](C(=O)NCB(O)O)(c1cccc(F)c1)C(F)(F)F 585073495 MALNXMBLQXBWSR-VIFPVBQESA-N 294.013 -0.330 50 20 CBGD COC(=O)N(C)CCNS(=O)(=O)CBr 689564021 WPUWUHHNQLERLN-UHFFFAOYSA-N 289.151 -0.044 50 20 CBGD O=C(CCn1cc[nH]c(=O)c1=O)NNC(=O)C1CCCC1 727849418 GNAOCAFJFHHPHF-UHFFFAOYSA-N 294.311 -0.736 50 20 CBGD C[C@H](C#N)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 735504478 NZQNLRUFPSNZEZ-SSDOTTSWSA-N 285.267 -0.213 50 20 CBGD COCCOCC(C)=NNC(=O)CN1CCCC1=O 741164050 VIEKYTFCKLEKSQ-UHFFFAOYSA-N 271.317 -0.236 50 20 CBGD CCOC(=O)C(F)(F)[C@H]1CCC(=NNC(=O)C(N)=O)C1 752719079 RYSGFTDZPQQRMC-LURJTMIESA-N 291.254 -0.058 50 20 CBGD CNC(=O)[C@@H]1CN(C(=O)NNC(=O)C2CCCC2)CCO1 753335047 KQJQDGQTYCDYCP-JTQLQIEISA-N 298.343 -0.636 50 20 CBGD O=C(CO)NNC(=O)c1cc2c(nc1O)CCCCC2 753439236 WSMZBBZPBROJBX-UHFFFAOYSA-N 279.296 -0.191 50 20 CBGD O=Cc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)cs1 754993620 FNGFIZYYIKCGOU-UHFFFAOYSA-N 295.320 -0.056 50 20 CBGD COC(=O)c1cn(CC(=O)NNc2ncc(F)cn2)nn1 762102788 ZNLKOVFJCBMOOR-UHFFFAOYSA-N 295.234 -0.863 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(O)CCC1 772039268 NMLHIXQYVAAPCE-SSDOTTSWSA-N 258.274 -0.610 50 20 CBGD COC[C@](C)(O)C(=O)NNc1cc(Cl)nc(N)n1 773860649 HQCPVLRVARKWHU-VIFPVBQESA-N 275.696 -0.447 50 20 CBGD CN(NC(=O)c1cccc2c1oc(=O)n2C)C(N)=O 778415071 NPLSYQXLQJJILN-UHFFFAOYSA-N 264.241 -0.213 50 20 CBGD CN1CCN(C(=O)NNC(=O)C(C)(F)F)CC1 808470912 MVEMAOJJAKPJJF-UHFFFAOYSA-N 250.249 -0.370 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)Cc1cnn(C)c1C 815505976 FXOQXJMTHCFYSH-UHFFFAOYSA-N 276.300 -0.236 50 20 CBGD COCCN(C)NC(=O)[C@@H](NC(N)=O)C(C)(C)C 819744841 FLHGLPLADRXDBY-MRVPVSSYSA-N 260.338 -0.321 50 20 CBGD C[C@@H](CC(=O)NNc1ccc(C(N)=O)nn1)n1cccn1 819893829 MDCGTQRMVQQHOH-QMMMGPOBSA-N 289.299 -0.134 50 20 CBGD COCC(=O)NN=Cc1ccc(OC)c(-c2nn[nH]n2)c1 821680772 ULWVTFYJTSTQJZ-UHFFFAOYSA-N 290.283 -0.028 50 20 CBGD CCN(CCO)NC(=O)CCC(=O)c1cnn(C)c1 823885066 VCWLOLUYURDTDV-UHFFFAOYSA-N 268.317 -0.272 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCc2nccn2C1 823918480 XMKUPDVCHZXFKM-VHSXEESVSA-N 252.318 -0.211 50 20 CBGD CCOCCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 825681062 FQFITGAIEUEHFC-RKDXNWHRSA-N 259.306 -0.222 50 20 CBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)CNC(=O)c1ccco1 827304426 UIZISQSMZZMOSK-ZETCQYMHSA-N 297.267 -0.732 50 20 CBGD C[C@H]1CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)CO1 842528083 OMXHHPAFZMJNKJ-BQBZGAKWSA-N 263.319 -0.795 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCn1ccnc1 843647626 ZHIMMUZBRMCKEM-VHSXEESVSA-N 266.301 -0.154 50 20 CBGD COCCOC(=O)/C(C#N)=C/c1cn(C)c(=O)n(C)c1=O 844152056 CGSXGGXSUUKNIM-RMKNXTFCSA-N 293.279 -0.819 50 20 CBGD C[C@@H](CCO)N(C)CC(=O)NNC(=O)C(C)(C)C 844450848 QHPVTMIENLDLQH-VIFPVBQESA-N 259.350 -0.117 50 20 CBGD CCCC(C)(C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 846634437 VIUKPPQLLSQWPN-MRVPVSSYSA-N 293.389 -0.102 50 20 CBGD CC[C@@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 858616874 QPHXTJZEBORQFQ-BDAKNGLRSA-N 268.317 -0.216 50 20 CBGD COCCn1ccc(NC(=O)NNC(=O)c2cn[nH]c2)n1 860568997 NOTFBAPBTYLGKX-UHFFFAOYSA-N 293.287 -0.281 50 20 CBGD C[C@H](NNC(=O)c1ccc(=O)n(C)n1)C(F)(F)F 862304066 HKZHJHNNNKAJLG-YFKPBYRVSA-N 264.207 -0.035 50 20 CBGD CCS(=O)(=O)CC(=O)NN[C@H](C)C(F)(F)F 862309643 SDHIJFCCNLJCFN-RXMQYKEDSA-N 262.253 -0.007 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(C)(F)F 862462800 SNRWRFDRPXKHOC-RITPCOANSA-N 263.244 -0.296 50 20 CBGD O=C1O[C@H](C(=O)N2CC[C@@H](B(O)O)C2)Cc2ccccc21 864231340 LUEKQZSAIQASDM-PWSUYJOCSA-N 289.096 -0.157 50 20 CBGD COCCOCC(=O)NNC(=O)c1cnc(F)c(C)c1 869906014 UJLOTDDVORINQX-UHFFFAOYSA-N 285.275 -0.047 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccc(CO)cc1 869914228 XHSYPSFLGDFPOB-UHFFFAOYSA-N 282.296 -0.397 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@]1(C)CCNC1=O 874193312 RQBULTZKEPKHNA-NSHDSACASA-N 256.306 -0.357 50 20 CBGD CN1CCO[C@@H](C(=O)NN=c2cc[nH]cc2Cl)C1=O 907405433 BHJRMFSZOKTLCE-VIFPVBQESA-N 284.703 -0.543 50 20 CBGD CC[S@](C)(=O)=NC(=O)c1cccc(B(O)O)c1 925866067 RXPNVWFCZGDJOE-KRWDZBQOSA-N 255.104 -0.376 50 20 CBGD C[C@@H]1COC[C@H]1NC(=O)NNC(=O)Cc1ccncc1 926009930 MQOAZJPUZMOFAZ-MWLCHTKSSA-N 278.312 -0.011 50 20 CBGD COc1ccnc(NNC(=O)C[C@@H]2C=CS(=O)(=O)C2)n1 1116200797 WLAWOFXWZOCZDZ-QMMMGPOBSA-N 298.324 -0.123 50 20 CBGD COCCOc1cncc(C(=O)NN(C)C(N)=O)c1 1116940573 YHDFQYGZJNSTQA-UHFFFAOYSA-N 268.273 -0.238 50 20 CBGD COCCCn1cc(C(=O)NNC(=O)N(C)C)cn1 1118811786 JTMHNPPTBBFTBR-UHFFFAOYSA-N 269.305 -0.164 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CCOC3(CCC3)C2)N1 1119492228 QSLNFRKIVNCNEX-NXEZZACHSA-N 295.339 -0.238 50 20 CBGD O=C(/C=C\c1nccs1)NNC(=O)[C@@H]1CCC(=O)N1 1121186506 OKDJTYSAGQXFRR-AVALRIAPSA-N 280.309 -0.418 50 20 CBGD CN(C)N(C(=O)[C@@H]1C[C@H]1F)[C@@H]1CCS(=O)(=O)C1 1123832400 YSRHMCBNNAUYIZ-IWSPIJDZSA-N 264.322 -0.163 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2CCN(C)C(=O)C2)nc1O 1248568659 NGVCOOVXOCOXIA-ZETCQYMHSA-N 280.288 -0.803 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)Nc1cccnc1 1261460997 VHVLUFPHOAYXGI-WCBMZHEXSA-N 292.295 -0.408 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(F)cn1 1322104743 QKPQWYUCFTXQKU-UHFFFAOYSA-N 270.220 -0.064 50 20 CBGD N#Cc1ncn(CCNC(=O)NNc2ncccn2)n1 1323386266 IYQYCNQKZAKAOE-UHFFFAOYSA-N 273.260 -0.734 50 20 CBGD CN(C)N(C(=O)CCCC(N)=O)[C@H]1CCS(=O)(=O)C1 1324348349 JFUAYCXAXDULEB-VIFPVBQESA-N 291.373 -0.866 50 20 CBGD C=CCOCCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1327538019 NNNGFUJANZPTNK-NXEZZACHSA-N 271.317 -0.056 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nccn2C1 1327619262 RXYXWENKUPEECP-SECBINFHSA-N 293.327 -0.883 50 20 CBGD COC1CCC(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 1328799083 IXKCVUIHMHMWJC-UDNWOFFPSA-N 298.343 -0.447 50 20 CBGD O=C(NNC(=S)Nc1ccccn1)[C@@]1(O)CCOC1 1329868378 ZQHPZRMRRIZXKE-LLVKDONJSA-N 282.325 -0.449 50 20 CBGD COC(=O)c1ncoc1CCC(=O)NNC(=O)C1CC1 1331505690 UQPMPLCRVHVEAX-UHFFFAOYSA-N 281.268 -0.049 50 20 CBGD CS(=O)(=O)CC(=O)NN=Cc1ccc(CO)o1 1331823114 YPPFTYSHONTYOL-UHFFFAOYSA-N 260.271 -0.733 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@]1(C)C[C@@H](O)CN1 1573735388 KRPPAPDQWBWXPZ-LDYMZIIASA-N 258.322 -0.770 50 20 CBGD NCCNC(=O)NNC(=O)C[C@H]1NC(=O)c2ccccc21 1580311119 HHQDMQGUSCKJIF-SNVBAGLBSA-N 291.311 -0.850 50 20 CBGD N[C@@H]1CCC[C@@H]1C(=O)NNC(=O)Cc1cccnc1 1580376184 AJAWHNRKUNNULE-WDEREUQCSA-N 262.313 -0.101 50 20 CBGD O=C(CC1(O)CCOCC1)NNC(=O)[C@@H]1CCCNC1 1580501458 VNIMKCDWVOOCFM-SNVBAGLBSA-N 285.344 -0.935 50 20 CBGD C#CCN(CC(=O)O)[C@H](C)C(=O)NNC(=O)CC(C)C 1588420166 OKSDMYHDDZYCNW-SNVBAGLBSA-N 283.328 -0.412 50 20 CBGD CC(C[C@H]1CCCC(=O)N1)=NNC(=O)NCC(=O)O 1592465963 QGBPCVBFUGPJTF-MRVPVSSYSA-N 270.289 -0.195 50 20 CBGD CN(C)C(=O)NN=Cc1nc(-c2nn[nH]n2)cs1 1604670798 MYJFSYIONGTFEE-UHFFFAOYSA-N 266.290 -0.072 50 20 CBGD O=C1CCC[C@H](C(=O)NNc2ccc(C(=O)O)cn2)N1 1610882522 IHCZTGAYLCKZIC-MRVPVSSYSA-N 278.268 -0.108 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@H](C)NC(C)=O)cc1 25379138 DKMXSVYQFBUHRX-QMMMGPOBSA-N 279.296 -0.019 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cccnc1 27763861 HXVBJWQLRMDHAQ-UHFFFAOYSA-N 288.263 -0.134 50 20 CBGD CC(=O)NNC(=O)c1ccc(S(N)(=O)=O)cc1 48089267 XATYEMTVEMNCIJ-UHFFFAOYSA-N 257.271 -0.885 50 20 CBGD CC[C@H](C)OCC(=O)NNC(=O)Cc1cc[nH]n1 186158578 DOBKKAAJDWWWLD-QMMMGPOBSA-N 254.290 -0.085 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2C[C@H](F)CN2)n1 188580211 WWGHJFTZGRJXTL-JGVFFNPUSA-N 269.280 -0.063 50 20 CBGD COCCCC(=O)NNC(=O)CNC(=O)c1cccnc1 268660845 DKENXDUMGZPRPO-UHFFFAOYSA-N 294.311 -0.615 50 20 CBGD C[C@H](O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 270763372 NJMSNJHJSWHFSP-ZETCQYMHSA-N 266.253 -0.400 50 20 CBGD COC(=O)N(C)NC(=O)Cn1cc([N+](=O)[O-])cn1 286446607 SBPRNIDAQJGWJE-UHFFFAOYSA-N 257.206 -0.479 50 20 CBGD CCn1nncc1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 293841905 GXOLGGUAPPKOAM-CBAPKCEASA-N 267.289 -0.374 50 20 CBGD C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1nnc[nH]1 293878610 JMMVUIMHRBJSOT-HTQZYQBOSA-N 255.278 -0.168 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@]1(C)CCN(C(C)=O)C1 378551528 OHRURBCUKQYUAI-LBPRGKRZSA-N 270.333 -0.063 50 20 CBGD C[C@@H](C[S@](C)=O)N(C)Cc1ccc(B(O)O)cc1F 399941990 OBNZTFABERZNED-UGZDLDLSSA-N 287.165 -0.296 50 20 CBGD CCC1(CC)NC(=O)N(CC(=O)NNC(=O)OC)C1=O 490637020 XAZPYBXCLWOVLF-UHFFFAOYSA-N 286.288 -0.516 50 20 CBGD CCNC(=O)NNC(=O)/C=C/c1cnc(OC)nc1 493456525 SLLYPDKDYYCQAC-SNAWJCMRSA-N 265.273 -0.151 50 20 CBGD CC(C)N1CC[C@H](NC(=O)c2cccc(B(O)O)c2)C1=O 584947126 GXGMDRMQAJLRSH-LBPRGKRZSA-N 290.128 -0.895 50 20 CBGD C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(B(O)O)cc1 584951409 QAIUKMZMAWHUDB-SMDDNHRTSA-N 290.172 -0.221 50 20 CBGD CC(C)[C@@](C)(O)CNC(=O)c1cc(B(O)O)ccc1F 584954731 NYSDPDRWALDRAG-ZDUSSCGKSA-N 283.108 -0.358 50 20 CBGD CC1(O)CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584963130 VZPQPTHEBCEEMZ-UHFFFAOYSA-N 281.092 -0.508 50 20 CBGD C[C@H]1C[C@H](CNC(=O)c2ccc(B(O)O)cc2)CCO1 584970052 LBHAMMVOFFLGRP-WDEREUQCSA-N 277.129 -0.089 50 20 CBGD CC(C)NC(=O)[C@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 585000377 LXKZLHGRVXUCJJ-QMMMGPOBSA-N 296.107 -0.852 50 20 CBGD C[C@@H](O)CN(C(=O)c1ccc(B(O)O)cc1)C1CC1 585006950 CHRNKEFMEQPNAQ-SECBINFHSA-N 263.102 -0.648 50 20 CBGD OB(O)c1ccc(CNC[C@H]2CCN(C3CC3)C2)cc1 585018200 SAHPXCPYXGRZEM-CYBMUJFWSA-N 274.173 -0.060 50 20 CBGD O=C(CNCc1ccc(B(O)O)cc1)NCC(F)(F)F 585020805 JTRIKEIPXIQXKQ-UHFFFAOYSA-N 290.050 -0.866 50 20 CBGD OB(O)c1ccccc1CNC[C@@H](O)C1CCOCC1 585029464 RNBFRSSLFWSYKI-CQSZACIVSA-N 279.145 -0.757 50 20 CBGD Cc1nnc(CCNCc2ccc(B(O)O)cc2)s1 585040677 HENZSXOLKDOYAL-UHFFFAOYSA-N 277.158 -0.141 50 20 CBGD O=C1CC[C@H](NCc2ccc(B(O)O)o2)[C@@H](C2CC2)N1 585041714 GCGNEBKVWRJQRH-GXFFZTMASA-N 278.117 -0.894 50 20 CBGD N#Cc1cc(S(=O)(=O)N2CC[C@H](B(O)O)C2)ccc1F 585058069 SIZVAFUIFLXPED-VIFPVBQESA-N 298.104 -0.065 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1cc(C(=O)O)oc1C 746055601 WGSPJXRFHJICLS-UHFFFAOYSA-N 291.285 -0.201 50 20 CBGD CC1CC(NC(=O)NNC(=O)C(=O)NC2CC2)C1 753025589 XOSDUYOFQWTADL-UHFFFAOYSA-N 254.290 -0.606 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@]1(C)CCOC1 754883325 KRLOYZUBGGUBAJ-LLVKDONJSA-N 257.290 -0.915 50 20 CBGD CO[C@H](C(=O)NNC(=O)N1CCOCC1)C(C)C 771286899 IJSYRVVLMVGCQZ-VIFPVBQESA-N 259.306 -0.270 50 20 CBGD CO[C@@H](C(=O)NNc1ccc(C(N)=O)nn1)C(C)C 771737245 OWSKOEIKLZEIHK-SECBINFHSA-N 267.289 -0.310 50 20 CBGD O=C(CO)NNC(=O)c1ccc(-n2cnnc2)cc1 777781851 NBTYIJIDXOSEDP-UHFFFAOYSA-N 261.241 -0.979 50 20 CBGD CN1CC(=O)N(CC(=O)NNc2ncncc2Cl)C1=O 781831254 BPSPVGAQOJNHQK-UHFFFAOYSA-N 298.690 -0.533 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)co1 781920647 QEJVXULXTXSNQX-ZETCQYMHSA-N 289.313 -0.713 50 20 CBGD C[C@@H]1C[C@@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)CO1 784028699 ZMIGUVIXPUTEPV-MXWKQRLJSA-N 290.385 -0.096 50 20 CBGD CCCNC(=O)NNC(=O)c1ccnc2c1nnn2C 801141188 ZLLGAYSZNIEDDT-UHFFFAOYSA-N 277.288 -0.283 50 20 CBGD COCCOCCNC(=O)NNc1ncncc1F 814287262 NGCFVQYMZVXTBB-UHFFFAOYSA-N 273.268 -0.095 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](O)CC1 815299261 UWZIFMFNHYMDLN-NXEZZACHSA-N 257.334 -0.221 50 20 CBGD CCNC(=O)CC(=O)NNc1ccc(-c2nn[nH]n2)cc1 825465556 NEFAZNHDPVPLAG-UHFFFAOYSA-N 289.299 -0.164 50 20 CBGD O=C(NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1ccncc1 826445493 WRWXFJSJEDKAEA-UHFFFAOYSA-N 298.266 -0.335 50 20 CBGD C[C@H](CC(=O)O)C(=O)NNC(=O)NCC(F)(F)F 827304524 WTDDILYGENXELR-SCSAIBSYSA-N 271.195 -0.010 50 20 CBGD CC[C@H]1CN(CC(=O)NNC(=O)C(C)C)CCO1 827400323 GVOZFRLFGHBHEB-JTQLQIEISA-N 257.334 -0.099 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@](F)(C(=O)O)C1 828570625 OZQHJCBKHGNAJN-RDDDGLTNSA-N 275.280 -0.569 50 20 CBGD CN1CCN(C(=O)NNC(=O)C2(C(=O)C3CC3)CC2)CC1 830240910 XGVNHEBKBOWEQQ-UHFFFAOYSA-N 294.355 -0.266 50 20 CBGD CC(C)N1C(=O)C[C@H](NS(=O)(=O)CCl)C1=O 830778215 IFMJGSWMBIABOP-LURJTMIESA-N 268.722 -0.362 50 20 CBGD CC(C)(CC(=O)O)CC(=O)NNc1ccc(C(N)=O)nn1 833455793 UJGCMPQHTVBZGK-UHFFFAOYSA-N 295.299 -0.090 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](CNC)C1 843349007 CJRDPPGUFVEAON-ZJUUUORDSA-N 256.350 -0.526 50 20 CBGD C[C@H](N)[C@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 843365488 MHCASNMAIZUUDO-WPRPVWTQSA-N 254.334 -0.787 50 20 CBGD CC[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)N1CCCC1=O 843650842 HXQUFGBQLRYXMU-HBNTYKKESA-N 297.355 -0.040 50 20 CBGD COC(=O)C[C@H](C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843652434 JIFVRHAEZBCBJK-XHNCKOQMSA-N 272.301 -0.242 50 20 CBGD CCCN1CC[C@H](NC(=O)NNC(=O)c2ncccn2)C1 852385383 OMOZXEKEXKGWCR-JTQLQIEISA-N 292.343 -0.095 50 20 CBGD COc1ccc(CN2CCC(=NNC(=O)CO)C2=O)cc1 853329348 GFDUTUMEALFXEW-UHFFFAOYSA-N 291.307 -0.108 50 20 CBGD O=C(NNc1ncc(F)cc1F)C1(n2cnnn2)CC1 854897925 LHBFHXKZHOSMLC-UHFFFAOYSA-N 281.226 -0.021 50 20 CBGD CCN(CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CC1 858195543 ZJFVDAHYMJLALF-SNVBAGLBSA-N 297.359 -0.920 50 20 CBGD CCSCCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858424921 AGBUIODNHRMPFG-MRVPVSSYSA-N 288.373 -0.261 50 20 CBGD C#CC1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 858701089 BAFKNRNUIFCZEL-SNVBAGLBSA-N 278.312 -0.649 50 20 CBGD COC1CC(C(=O)NNC(=O)c2ccnnc2)C1 862021908 LVNNQGGKBBMHJP-UHFFFAOYSA-N 250.258 -0.337 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=S)NCC2CC2)N1 863203589 GGELUGXANHERBS-SSDOTTSWSA-N 256.331 -0.830 50 20 CBGD CC(C)CNC(=S)NNC(=O)[C@@H]1CCC(=O)N1 863204494 ZXXLEISGNFBCPZ-ZETCQYMHSA-N 258.347 -0.584 50 20 CBGD COc1nccnc1NNC(=O)/C=C\CN1CCOCC1 868893764 LJLIDPORTFPFNL-IHWYPQMZSA-N 293.327 -0.183 50 20 CBGD CCN(CC(=O)NNC(=O)C1CC1)[C@@H]1CCNC1 886848680 KUOGSDCNFQKURK-SNVBAGLBSA-N 254.334 -0.772 50 20 CBGD CC(=O)NNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 913466273 QXBPBFPGVOBHBT-NSHDSACASA-N 289.295 -0.726 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H](C)C(=O)OC(C)C 1116181699 GFZZLDGRTKXJEV-SSDOTTSWSA-N 289.288 -0.923 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC[C@@H]1CCO[C@H](C)C1 1116553018 IOPSHXIESSRHNL-RKDXNWHRSA-N 287.316 -0.305 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1cc(OC)ncn1 1116604879 XJDKCBUMEZZBHR-UHFFFAOYSA-N 283.244 -0.799 50 20 CBGD O=C(NCCCC(=O)N1CC[C@H](B(O)O)C1)C1CC1 1118975014 KXRCPAUENBMJHP-JTQLQIEISA-N 268.122 -0.632 50 20 CBGD COC[C@](C)(NC(=O)NNC(=O)CCO)C(F)(F)F 1119842858 GUDZRPFCADWTLB-QMMMGPOBSA-N 287.238 -0.333 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC(=O)N1CCCC1 1261450831 JNHQHYUTJXIYLK-VHSXEESVSA-N 298.343 -0.636 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)NC[C@@H]1COCCO1 1318268219 XKXBKPNLTNXKPV-LLVKDONJSA-N 294.311 -0.630 50 20 CBGD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNc1ncccn1 1319918284 OUBDZILBOQCIEQ-VXNVDRBHSA-N 279.300 -0.805 50 20 CBGD Cc1cc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)ncn1 1324430125 KHRMHTUSKQAPEK-QMMMGPOBSA-N 285.329 -0.827 50 20 CBGD Cc1nnc(CN(C)CC(=O)NNC(=O)C2CC2)o1 1327898015 QMBQLDABSSWCGR-UHFFFAOYSA-N 267.289 -0.633 50 20 CBGD C[C@H](N)CCNC(=O)NNC(=O)N=c1cc[nH]cc1 1331249504 CDWXHUQWONMTKM-QMMMGPOBSA-N 266.305 -0.424 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2CCSC2)N1 1331519449 JVMZCPUMWVSWQB-NKWVEPMBSA-N 272.330 -0.899 50 20 CBGD CCc1cc(C(=O)NNc2nccn(C)c2=O)n[nH]1 1339894451 YINVJNJASOHOMP-UHFFFAOYSA-N 262.273 -0.177 50 20 CBGD CO[C@H](C=NNC(=O)[C@@H]1CCC(=O)N1)[C@@H]1CCOC1 1348411639 NBMMPPBHGAYDQZ-KXUCPTDWSA-N 269.301 -0.582 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCCc2nn[nH]c21 1351035227 QIOOJTKZSXYTIX-CIUDSAMLSA-N 293.327 -0.203 50 20 CBGD C[C@H](CC(=O)NNC(=O)[C@@H]1CCN1)c1cnn(C)c1 1575924715 AGHNJTJELHKTHG-SCZZXKLOSA-N 265.317 -0.577 50 20 CBGD NCCN(Cc1ccccc1)C(=O)c1ccc(B(O)O)cc1 1580310065 CCAXSEIIHPEYMZ-UHFFFAOYSA-N 298.151 -0.033 50 20 CBGD COCCCNC(=O)NNC(=O)C1(C(=O)O)CC1 1593994583 JIRAGIIEMQSBGC-UHFFFAOYSA-N 259.262 -0.782 50 20 CBGD CS(=O)(=O)SCCNC(=O)[C@]1(C(=O)O)CCCO1 1594171321 JXMINWRXLHKNJI-VIFPVBQESA-N 297.354 -0.571 50 20 CBGD O=C(O)CCCC(=O)NNC(=O)N=c1cc[nH]cc1 1595027663 BZOODFHGHAURQE-UHFFFAOYSA-N 266.257 -0.089 50 20 CBGD O=C(NNc1nc[nH]n1)c1cccc(-c2nn[nH]n2)n1 1606863364 WYUYABHFVJKZDT-UHFFFAOYSA-N 272.232 -0.863 50 20 CBGD O=C(CN1CCC[C@@H](C(=O)O)C1=O)NNC(=O)C1CCC1 1608330284 MQUTZVILJCJDGN-SECBINFHSA-N 297.311 -0.743 50 20 CBGD C[C@H](NC(=O)NNC(=O)C(=O)O)c1nc(C(C)(C)C)no1 1609767060 CWMJEPXAZFUTRQ-YFKPBYRVSA-N 299.287 -0.157 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 7418630 OLWAICIPFXYWJY-UHFFFAOYSA-N 283.309 -0.099 50 20 CBGD Cc1nnc(NNC(=O)c2ccc(=O)[nH]c2)nc1O 22239391 MXAJZPXZBMJXGE-UHFFFAOYSA-N 262.229 -0.669 50 20 CBGD CCNC(=O)NNC(=O)CNC(=O)c1ccncc1 49183298 XDIBDULERFYXIU-UHFFFAOYSA-N 265.273 -0.838 50 20 CBGD CCN(CCO)CC(=O)NNC(=O)c1ccccc1 49754417 BDAANOSQMUNUQD-UHFFFAOYSA-N 265.313 -0.238 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)N2CCOCC2)n1 53919585 MDDIKGDNEMHTDV-UHFFFAOYSA-N 281.316 -0.427 50 20 CBGD Cn1cc(C(=O)NNC(=O)CO)c(-c2cccs2)n1 182755130 CJNZIZZBWUKCLZ-UHFFFAOYSA-N 280.309 -0.098 50 20 CBGD CC(=O)NCC(=O)NNC(=O)c1cccc(N(C)C)c1 194032745 SACAIBMLPYMPMK-UHFFFAOYSA-N 278.312 -0.350 50 20 CBGD COCCC(=O)NNC(=O)COc1ccccc1O 264585450 VGJQGHFRWPHXOP-UHFFFAOYSA-N 268.269 -0.045 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)nc1 294626234 LAVMTCSBASDJJF-VIFPVBQESA-N 278.268 -0.880 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNc1ccnc(N(C)C)n1 494300493 UHAYPROTTSSUCK-ZETCQYMHSA-N 282.304 -0.270 50 20 CBGD C[C@]1(C(=O)Nc2cccc(B(O)O)c2)CCC(=O)NC1 584914486 XVUYCQCSAAYTRP-ZDUSSCGKSA-N 276.101 -0.779 50 20 CBGD CC(C)C(=O)NCCCNC(=O)c1ccc(B(O)O)cc1 584966684 IDVCCVRFQUSJCC-UHFFFAOYSA-N 292.144 -0.742 50 20 CBGD Cc1nn(C)cc1[C@H](C)NCc1ccc(B(O)O)o1 585021543 BFAWOQRNQJNDSQ-QMMMGPOBSA-N 263.106 -0.148 50 20 CBGD OB(O)c1cccc(CNC[C@H]2CCN2C2CC2)c1 585049174 CJUHGYWUWFTZSX-CQSZACIVSA-N 260.146 -0.307 50 20 CBGD O=C(CCN1C(=O)CCC1=O)NNC(=O)c1ccncc1 725869509 PFHYJHNZLGQMSE-UHFFFAOYSA-N 290.279 -0.618 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)c2cnn(C)c2)C1 735473336 SQNJJFUCLRFNHT-QMMMGPOBSA-N 251.290 -0.867 50 20 CBGD COCC(=O)NNC(=O)Nc1nn(C)cc1C#N 756869648 BPCZDLVLIFGDMK-UHFFFAOYSA-N 252.234 -0.909 50 20 CBGD Cc1ccc(NC(=O)NNC(=O)CO)cc1C(=O)N(C)C 757591508 UHXFZGUSMHWXPH-UHFFFAOYSA-N 294.311 -0.158 50 20 CBGD COc1nccnc1NNC(=O)CCS(C)(=O)=O 764469949 OJMZOCVVZVANGF-UHFFFAOYSA-N 274.302 -0.637 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCNC(=O)C1CCCCC1 768245669 XGHIMIKPJJTURV-UHFFFAOYSA-N 299.371 -0.009 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)N[C@@H](CO)C1CC1 778649732 LAHXUGKEDKSZTD-NSHDSACASA-N 278.312 -0.275 50 20 CBGD COc1ccc(NNC(=O)Cn2ccc(O)nc2=O)nc1 781518260 FSBIFSFYRHLKAS-UHFFFAOYSA-N 291.267 -0.504 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](OCCOC)C1 781961318 DRNBOYIJBFHSOU-WDEREUQCSA-N 287.360 -0.330 50 20 CBGD CN(NC(=O)CNC(=O)c1ccc(C#N)cc1)C(N)=O 782124576 OVCJZQWYKCZHGF-UHFFFAOYSA-N 275.268 -0.670 50 20 CBGD CC(C)(C)C(=O)N=c1cc[nH]cc1C=NNC(=O)CO 783859624 PCKIBXAKPWXTNS-UHFFFAOYSA-N 278.312 -0.070 50 20 CBGD COC(=O)NNC(=O)Nc1ccc(C(=O)OC)nn1 799232979 XQHRXMRKHGTXJL-UHFFFAOYSA-N 269.217 -0.344 50 20 CBGD O=C(NCCCOC(F)F)NNC(=O)C(=O)NC1CC1 802440042 OVHPQTYEMLHMAX-UHFFFAOYSA-N 294.258 -0.775 50 20 CBGD COc1cccnc1CC(=O)NNC(=O)Cc1cc[nH]n1 806809073 VEVUBDKILOJGRN-UHFFFAOYSA-N 289.295 -0.254 50 20 CBGD CC(C)[C@@H](CO)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 827280413 BJJVPRLKSIYSQD-OPRDCNLKSA-N 273.333 -0.241 50 20 CBGD CCCN1C[C@H](C(=O)NNC(=O)N(C)C)CC1=O 840298145 HRRNQMGPESDDOO-MRVPVSSYSA-N 256.306 -0.453 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NN=Cc1cnn(C)c1N 842548990 FPSJYOSJUFFMMF-VXNVDRBHSA-N 251.290 -0.123 50 20 CBGD C[C@H](CC(=O)NNC(=O)N1CCN(C)CC1)n1ccnc1 846639421 OOOMFDQNSRVESB-LLVKDONJSA-N 294.359 -0.178 50 20 CBGD Cn1cnn(CCC(=O)NCCCSC#N)c1=O 854360382 NGCGRHQHAKQPMS-UHFFFAOYSA-N 269.330 -0.308 50 20 CBGD CNC(=S)N(C)NC(=O)CSc1n[nH]c(C)n1 854924557 KVJHCJLROSWKMN-UHFFFAOYSA-N 274.375 -0.327 50 20 CBGD C[C@](O)(CC(=O)NNC(=O)c1cc[nH]n1)C1CC1 855357820 QKKXKEBPNPVZED-NSHDSACASA-N 252.274 -0.278 50 20 CBGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)c2cc[nH]n2)C1 855357964 WPAFVZBGEKMXFY-QMMMGPOBSA-N 279.300 -0.571 50 20 CBGD CNCCOCCNC(=O)NNC(=O)c1ccccc1O 861677660 UDDLNHXLJOLKLT-UHFFFAOYSA-N 296.327 -0.428 50 20 CBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 862094907 RRMOAAOGFNAQCB-UTLUCORTSA-N 271.317 -0.671 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)N1 862463313 ANQKDSCWWMCTRR-UZGDPCLZSA-N 299.330 -0.002 50 20 CBGD Cc1cccc(NNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)n1 862517340 MMLMJRZGTVJORD-BDAKNGLRSA-N 264.285 -0.134 50 20 CBGD COC(=O)[C@@]1(F)CCN(C(=O)c2ccc(B(O)O)cc2)C1 863874976 HJTVLSNPYTXUSJ-CYBMUJFWSA-N 295.075 -0.906 50 20 CBGD C[C@H](O)CN(C)NC(=O)CCOC[C@@H]1CCCO1 910170256 ISLXDRCABLTPFJ-QWRGUYRKSA-N 260.334 -0.084 50 20 CBGD CC(=O)CCC(=O)NNC(=O)CN1CCCC1=O 913730310 QHWOJEALCVJLFU-UHFFFAOYSA-N 255.274 -0.875 50 20 CBGD CCO[C@@H]1C[C@H]1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 916109860 BTCXFUHLIORHJO-HBNTYKKESA-N 290.385 -0.096 50 20 CBGD Cc1oc2ncn(C)c(=O)c2c1C(=O)NNC(=O)N(C)C 1115911281 ASWIERCNHBPLKF-UHFFFAOYSA-N 293.283 -0.249 50 20 CBGD NC(=O)c1cc2c(nc1O)CCCC2=NNC(=O)CCO 1117045503 UYXKIKJNPPKDEU-UHFFFAOYSA-N 292.295 -0.575 50 20 CBGD CS(=O)(=O)CCC(=O)NNC(=O)NCC(F)(F)F 1118759710 UCYRZGGGZQHNEJ-UHFFFAOYSA-N 291.251 -0.686 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCN1CCC(C)CC1 1252437848 AJMUQMBDHGFQHP-UHFFFAOYSA-N 286.332 -0.778 50 20 CBGD CCOCCn1cc(C(=O)N2CC[C@H](B(O)O)C2)cn1 1261843651 NDGXWALERBAOPH-NSHDSACASA-N 281.121 -0.392 50 20 CBGD NC(=O)CCCC(=O)NNc1ncnc2[nH]cnc12 1322260490 CLNBTYHECDVRRG-UHFFFAOYSA-N 263.261 -0.548 50 20 CBGD CS(=O)(=O)CC1(CC(=O)NNC(=O)NC2CC2)CC1 1323451815 RXFSHDHSTUDWOE-UHFFFAOYSA-N 289.357 -0.306 50 20 CBGD CC(C)C(=O)NNC(=O)[C@H]1CCCS(=O)(=O)C1 1326418387 QJNHNTCLQVUCQC-QMMMGPOBSA-N 262.331 -0.385 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NC/C=C/C2CC2)N1 1331314764 JTTAYMQTKXUWIN-VWCDRPFISA-N 266.301 -0.438 50 20 CBGD CCOc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 1331802668 GFDSNVCIVCXTRG-VIFPVBQESA-N 292.295 -0.480 50 20 CBGD CCOC(=O)NCCC(=O)N1CC[C@H](B(O)O)C1 1335430330 FOWLJYVGOGQYIO-QMMMGPOBSA-N 258.083 -0.802 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)CCc1nc[nH]n1 1338903815 XSGVWHRBSYTTSM-UHFFFAOYSA-N 299.331 -0.326 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1CCn2cncc2C1 1341363821 XUBLTGHWKOURFX-VIFPVBQESA-N 265.317 -0.846 50 20 CBGD Cc1cc(=NNC(=O)[C@H]2CN3CCN2C[C@H]3C)cc[nH]1 1520352357 KQRGGTFCSFQDJA-DGCLKSJQSA-N 275.356 -0.357 50 20 CBGD Cc1ccc(C(=O)NNC(=O)NC[C@@H]2[C@H]3CNC[C@H]32)o1 1579664003 URKUEQMVOPTMQM-MYJAWHEDSA-N 278.312 -0.003 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1[C@@H](CN)C1(F)F 1579840197 XLORWMIUYVXLOU-RNFRBKRXSA-N 273.243 -0.681 50 20 CBGD O=C(CSCc1ccccn1)NNC(=O)[C@@H]1CCN1 1580564917 JGXIIYSZIXIMND-JTQLQIEISA-N 280.353 -0.176 50 20 CBGD O=C(NNC(=O)[C@]12CCC[C@H]1OCC2)[C@H]1CCN1 1580735982 KDKGVLIPRHRKSP-LNLATYFQSA-N 253.302 -0.545 50 20 CBGD Cc1c(C(=O)NNC(=O)[C@@H](C(=O)O)C(C)C)nnn1C 1594256554 BPQXRPPFSKFYTQ-ZETCQYMHSA-N 283.288 -0.759 50 20 CBGD Cc1nnc(NNC(=O)c2cc(C(=O)O)co2)nc1O 1600798707 WGKFEACOEGYHSV-UHFFFAOYSA-N 279.212 -0.066 50 20 CBGD O=C(NC[C@H]1CCO[C@H]1C(=O)O)NNc1ncccn1 1601526050 SUALIFBRMIIXDE-HTQZYQBOSA-N 281.272 -0.408 50 20 CBGD O=C(O)CSCCC(=O)NNC(=O)c1ccnnc1 1602098642 OIYSPWSGQSQXOB-UHFFFAOYSA-N 284.297 -0.555 50 20 CBGD O=C(CN1CC[C@H](C(=O)O)C1)NNC(=O)c1cccs1 62133635 YYCJFODUBMPGFN-QMMMGPOBSA-N 297.336 -0.084 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(-n2ccnn2)cc1 89814614 CEAKQGDOIUMTOX-UHFFFAOYSA-N 288.311 -0.410 50 20 CBGD CNC(=O)[C@H]1CN(S(=O)(=O)CCCCCl)CCO1 155081350 AZGGMXQRQMSPBW-SECBINFHSA-N 298.792 -0.218 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(C#N)cc1F 158088151 UPFCUSNTTWLSIB-UHFFFAOYSA-N 272.261 -0.180 50 20 CBGD OB(O)c1ccccc1CN1CCO[C@@H](S)C1 169986910 XUIZUYSAVLZFQR-NSHDSACASA-N 253.132 -0.546 50 20 CBGD C=CCOCCCC(=O)NNC(=O)C(=O)NC(C)C 266216906 HNGJYGDKISNVGF-UHFFFAOYSA-N 271.317 -0.359 50 20 CBGD COc1cccc(NNC(=O)C2(NC(N)=O)CC2)n1 272994372 NMIFJHLJSRENTJ-UHFFFAOYSA-N 265.273 -0.266 50 20 CBGD CCOC(=O)NNC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 490596526 OBXUOIQMYQLCSC-DTORHVGOSA-N 297.311 -0.061 50 20 CBGD CN(C)CCCNC(=O)c1ccc(B(O)O)c(F)c1 584923304 GPIGHLLRQLETQP-UHFFFAOYSA-N 268.097 -0.813 50 20 CBGD C[C@@H](O)C[C@H]1CCCN1C(=O)c1ccc(B(O)O)c(F)c1 584965901 UHNARSQDDICITN-MWLCHTKSSA-N 295.119 -0.119 50 20 CBGD C[C@H](CO)CCCNC(=O)c1ccc(B(O)O)cc1 584967999 QHKQBHXNYGTDNP-JTQLQIEISA-N 265.118 -0.495 50 20 CBGD O=C(NCc1cnc2n1CCCC2)c1cccc(B(O)O)c1 584995372 UPCFINVHGSASRZ-UHFFFAOYSA-N 299.139 -0.171 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCC[C@@H](O)C2)c(F)c1 585032398 HKPLPBSNVYYVKB-NWDGAFQWSA-N 267.109 -0.101 50 20 CBGD C[C@H]1C[C@@H](CNCc2ccc(B(O)O)o2)CCO1 585034817 OFBGGEBOFMZWGY-UWVGGRQHSA-N 253.107 -0.136 50 20 CBGD OB(O)c1cccc(CN[C@H]2CCn3ccnc3C2)c1 585036514 LYHWSUMHURWQQZ-ZDUSSCGKSA-N 271.129 -0.333 50 20 CBGD OC[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NCc1ccc(B(O)O)o1 585041492 YEEKLXPYRUJTOJ-PZEZNAACSA-N 265.118 -0.544 50 20 CBGD CN(C)N(C(=O)[C@@H]1C[C@@H]1C(=O)O)[C@H]1CCS(=O)(=O)C1 737370931 SESJYJLONPKEBA-YIZRAAEISA-N 290.341 -0.801 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@H]2C[C@H]2C(=O)O)n1 737383395 DQGQOCVTBIXVOH-NKWVEPMBSA-N 265.273 -0.294 50 20 CBGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)N(C)C 746001229 BJLXSAIOEYPKTF-UHFFFAOYSA-N 265.335 -0.640 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CC23CCOCC3)cn1 748854168 ZLXBEOFMWMNMLD-SNVBAGLBSA-N 278.312 -0.002 50 20 CBGD CC(=NNC(=O)CN1CCCC1=O)c1nccn1C 755587480 OYNQSFDIVFDKEP-UHFFFAOYSA-N 263.301 -0.117 50 20 CBGD COc1nccnc1NNC(=O)C1(C(=O)NC2CC2)CC1 764470002 CFCNNOSAFBPNTL-UHFFFAOYSA-N 291.311 -0.013 50 20 CBGD C[C@H]1CCCN(C(=O)C(=O)NNC(=O)NCC2CC2)C1 767722057 JTYXTZMYIZNAAS-VIFPVBQESA-N 282.344 -0.015 50 20 CBGD COc1nc2sccn2c1C=NNC(=O)CO 776781033 UOFMGEBLJPGNTA-UHFFFAOYSA-N 254.271 -0.153 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H](C)n1cncn1 788159538 ZHGOONVGRJSOLW-VIFPVBQESA-N 299.331 -0.224 50 20 CBGD CN(C)CC(=O)NNC(=O)c1c[nH]nc1C1CC1 789903746 YWHKPQJCJFKHAL-UHFFFAOYSA-N 251.290 -0.390 50 20 CBGD COCC(=O)NNC(=O)Nc1ncc(OC)s1 806511196 IFPWWPFXMFKYJI-UHFFFAOYSA-N 260.275 -0.049 50 20 CBGD Cn1nncc1CNC(=O)NNC(=O)c1ccccc1 807612282 BTNDDUWYTUCDCU-UHFFFAOYSA-N 274.284 -0.041 50 20 CBGD Cc1cc(CC(=O)NNC(=O)COC(F)(F)F)n[nH]1 823369342 XSNLJEGYXTVIRV-UHFFFAOYSA-N 280.206 -0.056 50 20 CBGD CNC(=O)c1ccc(C(=O)NN(C)C[C@@H](C)O)cn1 823833580 YLHMYCMBQJERNJ-MRVPVSSYSA-N 266.301 -0.601 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F 823873536 CSOKUIBBLVGZMO-QMMMGPOBSA-N 297.277 -0.115 50 20 CBGD CCN(CCO)NC(=O)c1cnn(CCCOC)c1 823897792 KBMVCTVGSKMUHK-UHFFFAOYSA-N 270.333 -0.121 50 20 CBGD COC(=O)c1ccc(C(=O)NN(C)[C@@H](C)CO)n1C 823923278 QNFGFCWJNKOHDT-QMMMGPOBSA-N 269.301 -0.231 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ncccn1 843651954 QGRJRBIXSXGMBY-SFYZADRCSA-N 250.258 -0.337 50 20 CBGD COC/C(C)=C/C(=O)NNC(=O)c1ccnnc1 846268266 ZVGVGPHMANFUEG-VMPITWQZSA-N 250.258 -0.170 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CCCc2nn[nH]c21 854188238 ZJLUOUFJNGSNSX-ZETCQYMHSA-N 280.357 -0.094 50 20 CBGD Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H]2CC(=O)N2)c1 854191816 UUARVISAHGUVQX-SNVBAGLBSA-N 291.307 -0.282 50 20 CBGD CNC(=S)N(C)NC(=O)CS(=O)(=O)C(C)(C)C 854923160 KCLQORGHWKZSOB-UHFFFAOYSA-N 281.403 -0.333 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)OCC(F)(F)F)CCC1 856023726 UJQATJIJXVKTLS-UHFFFAOYSA-N 283.206 -0.038 50 20 CBGD NC(=O)NC1(C(=O)NNc2ncc(Cl)cn2)CC1 857729411 WLQRYFNJFAODEW-UHFFFAOYSA-N 270.680 -0.226 50 20 CBGD CO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858583432 BNRWIBVHZXODPY-OPRDCNLKSA-N 298.343 -0.447 50 20 CBGD CN1C(=O)CN(CC(=O)NNc2ccnc(F)c2)C1=O 860693715 FIXLQHOEOACALE-UHFFFAOYSA-N 281.247 -0.442 50 20 CBGD CNC(=O)NCCC(=O)NN[C@H](C)C(F)(F)F 862321215 SKBLUJCYZNXFCO-RXMQYKEDSA-N 256.228 -0.123 50 20 CBGD N#CCN1CCC(NCc2cccc(B(O)O)c2)CC1 863888316 ADLJGYFZJKTQOR-UHFFFAOYSA-N 273.145 -0.556 50 20 CBGD Cn1cc(C[C@H](CO)CNS(=O)(=O)CCl)cn1 867473343 HIULHLGNOKRBHS-VIFPVBQESA-N 281.765 -0.313 50 20 CBGD CCO[C@@H](C)C(=O)NNC(=O)Cc1cc(C)[nH]n1 869013219 RCQVPZCSLBAJLS-QMMMGPOBSA-N 254.290 -0.167 50 20 CBGD COCCN(C)NC(=O)N=c1ccnc2n(C)[nH]cc1-2 879415780 CGUCTJQCIZMCMY-UHFFFAOYSA-N 278.316 -0.044 50 20 CBGD C[C@H]1CCCN1CCNC(=O)NNC(=O)c1cnn(C)c1 897482296 PJNXDNSENZBFLJ-JTQLQIEISA-N 294.359 -0.152 50 20 CBGD COC(=O)[C@@H](O)CNC(=O)[C@]1(C)C[C@@H]1Br 907160751 DWCQVKHMXRNVBJ-ATVXKPNKSA-N 280.118 -0.190 50 20 CBGD Cc1cc(CC(=O)NNC(=O)CN(C)C2CCC2)n[nH]1 911420349 UVKIGWRWVDUFBA-UHFFFAOYSA-N 279.344 -0.108 50 20 CBGD CC(CCN(C)C)=NNC(=O)[C@@H]1CCS(=O)(=O)C1 915957768 UVHJXINBSXYCDO-SNVBAGLBSA-N 275.374 -0.135 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CCc2c[nH]nc2C1 1116143115 PPNKIKLNVGZKKL-SSDOTTSWSA-N 251.290 -0.183 50 20 CBGD COCCCNC(=O)NNC(=O)c1cnc(C)[nH]1 1116378703 WVTAEMTVJAGUMU-UHFFFAOYSA-N 255.278 -0.301 50 20 CBGD CN(C)N(C(=O)CNC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1117678709 FOXHDQXOXAIRGV-SNVBAGLBSA-N 291.417 -0.133 50 20 CBGD CN(C)S(=O)(=O)c1ccc(N2CC[C@@H](B(O)O)C2)nc1 1118975606 QDCOAKWRYUFMOG-SECBINFHSA-N 299.161 -0.615 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCN2CCC[C@H]2C1 1252437872 AXQLTBAJFZZHGK-BDAKNGLRSA-N 284.316 -0.883 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CCc1cscn1 1261834920 ATHRBNARKBZUCC-UHFFFAOYSA-N 291.354 -0.732 50 20 CBGD C[C@]1(CCCC(=O)NNc2ncccn2)NC(=O)NC1=O 1322786347 NPYAYOKJFXZLEV-GFCCVEGCSA-N 292.299 -0.312 50 20 CBGD COCc1cc(C(=O)NNC(=O)Cc2cc[nH]n2)no1 1325322019 WKOJREBNXOKRHQ-UHFFFAOYSA-N 279.256 -0.452 50 20 CBGD COCCNCC(=O)NNc1nncc(N)c1Cl 1326338202 CSAMLAYBHOYXJT-UHFFFAOYSA-N 274.712 -0.609 50 20 CBGD CNS(=O)(=O)c1ccc(CC(=O)NNC(C)=O)cc1 1327930316 BXGDWKZRVJBGKM-UHFFFAOYSA-N 285.325 -0.696 50 20 CBGD CCNC(=O)CNC(=O)/C(C#N)=C/c1cnn(C)c1 1328463803 BUADUWYIDJNWLM-ONNFQVAWSA-N 261.285 -0.421 50 20 CBGD C#CCn1ccnc1C=NNC(=O)[C@@H]1CCC(=O)N1 1330141658 BBOOSOPXORSDBW-VIFPVBQESA-N 259.269 -0.755 50 20 CBGD COC[C@H](CNC(=O)NNC(=O)C1CCOCC1)OC 1330832701 RYTGLEPIFGGWGB-JTQLQIEISA-N 289.332 -0.595 50 20 CBGD O=C(CCO)NNC(=O)C(=O)Nc1ccc2[nH]ccc2c1 1337981825 SVCBPADCYXQBEN-UHFFFAOYSA-N 290.279 -0.364 50 20 CBGD O=C(/C=C/[C@H]1CCOC1)NNC(=O)c1cccnn1 1339780394 WSSBFFYVONKBTM-NWALNABHSA-N 262.269 -0.170 50 20 CBGD CC(=O)NNC(=O)C1CCN(c2cnccn2)CC1 1342658723 VXDXFSAKQYUFGY-UHFFFAOYSA-N 263.301 -0.140 50 20 CBGD O=C(Cn1c(=O)oc2ccccc21)N1CC[C@@H](B(O)O)C1 1348489940 IHQLPWGDAWNTQS-SECBINFHSA-N 290.084 -0.330 50 20 CBGD CCN(CC)Cc1ccc(C(=O)NNC(=O)CON)o1 1577693158 MMYGRGUPGMZUST-UHFFFAOYSA-N 284.316 -0.227 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1C[C@@H](N)C1(C)C 1579057249 WVZMCXURYKPRIS-RKDXNWHRSA-N 273.333 -0.830 50 20 CBGD C=C(CCC(=O)O)C(=O)NNC(=O)c1ccc(=O)n(C)c1 1588630313 IHKUAZZPFHDHFG-UHFFFAOYSA-N 293.279 -0.433 50 20 CBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=O)c1ccc(C#N)cc1 1593926514 JEPMEPVAUJVOEO-CYBMUJFWSA-N 291.263 -0.191 50 20 CBGD O=C(O)c1cc(C(=O)NNC(=O)c2cnsn2)[nH]n1 1594780184 MRNLLYCGBVTBRM-UHFFFAOYSA-N 282.241 -0.966 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1Cc2cccc(O)c2C1 1601552874 MBODUMXNYFRSDE-SSDOTTSWSA-N 279.252 -0.726 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCCN2CCCC[C@H]12 1601553022 RCUGACYXYNJOOS-DTWKUNHWSA-N 284.316 -0.582 50 20 CBGD O=C(O)C[C@H](O)CNS(=O)(=O)CCCCl 1601912337 FBZAMTTVXOIYII-LURJTMIESA-N 259.711 -0.630 50 20 CBGD Cc1nnc(NNC(=O)c2ccc(C(=O)O)nc2)nc1O 1605444728 SFRSTAXYNVJEFD-UHFFFAOYSA-N 290.239 -0.264 50 20 CBGD Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NN 22159847 HDINXQBNFGSCSK-UHFFFAOYSA-N 286.357 -0.197 50 20 CBGD CNC(=S)N(C)NC(=O)c1cncc(OC)n1 44551737 WXAGTJAXUADRML-UHFFFAOYSA-N 255.303 -0.434 50 20 CBGD Cn1cc(S(=O)(=O)NNC(=O)NC2CCCC2)cn1 49419567 UEUMKZLAXDNJOH-UHFFFAOYSA-N 287.345 -0.145 50 20 CBGD CC(C)(C)C(=O)NCC(=O)NNC(=O)NC1CC1 138662715 BXEQJFAARWBATC-UHFFFAOYSA-N 256.306 -0.359 50 20 CBGD O=C(CO)NNC(=O)Cc1ccc(-n2cccn2)cc1 180947274 HBISSNJQVZCJDR-UHFFFAOYSA-N 274.280 -0.446 50 20 CBGD O=C(CO)NNC(=O)CCc1nc(-c2ccsc2)no1 180958856 NOZCPFYUSLTSIJ-UHFFFAOYSA-N 296.308 -0.130 50 20 CBGD Cn1cnn(CC(=O)NNc2cccc([N+](=O)[O-])c2)c1=O 182596353 ABBIELATLRYHDK-UHFFFAOYSA-N 292.255 -0.367 50 20 CBGD CN(C)C(=O)NNC(=O)CNC(=O)Cc1cccc(F)c1 194916768 LCOJUSRJLYMMCX-UHFFFAOYSA-N 296.302 -0.213 50 20 CBGD COCCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 263912135 MZNHWAMKQAKGEV-UHFFFAOYSA-N 290.283 -0.540 50 20 CBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CN(C)C 265066454 MZXNRYWSIFRTRS-MRVPVSSYSA-N 288.348 -0.391 50 20 CBGD CNC(=O)NCCC(=O)NNC(=O)c1cccn1C 292787544 QGVQJOPOTJVSFK-UHFFFAOYSA-N 267.289 -0.895 50 20 CBGD O=C(COc1ccccc1F)NNC(=O)[C@H]1COCCO1 298434125 PNMIKFXBPIBCLO-LLVKDONJSA-N 298.270 -0.233 50 20 CBGD Cc1nc(C(=O)NNC(=O)N2CCOCC2)ccc1C#N 299405324 XHVVXNWLTOLZFL-UHFFFAOYSA-N 289.295 -0.052 50 20 CBGD COC(=O)NNC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O 495327276 XLBKGGWATCXCHE-MRVPVSSYSA-N 293.345 -0.566 50 20 CBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)OC)c(C)o1 495368100 XFIPUOFDYVPPGO-UHFFFAOYSA-N 291.285 -0.503 50 20 CBGD O=C(C[C@H]1CCCC(=O)N1)Nc1cccc(B(O)O)c1 584912177 PWWQOXICJNNYIN-LLVKDONJSA-N 276.101 -0.636 50 20 CBGD CCCNC(=O)CN(C)C(=O)c1cc(B(O)O)ccc1F 584925414 UZESKZPJWKKVGG-UHFFFAOYSA-N 296.107 -0.896 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)CCCO1 584938845 DJBGGMYNZWLLKJ-VIFPVBQESA-N 281.092 -0.244 50 20 CBGD CC[C@H](O)CCCNC(=O)c1cc(B(O)O)ccc1F 584955041 RDXTWBHDECHQLF-JTQLQIEISA-N 283.108 -0.214 50 20 CBGD CC(C)[C@@H](CO)NC(=O)c1cccc(B(O)O)c1 584970077 SDEZDRCBFSMEAD-LLVKDONJSA-N 251.091 -0.887 50 20 CBGD O=C(NCC[C@@H]1CCOC1)c1ccc(B(O)O)c(F)c1 584977721 YTSSYICGOGEYCJ-SECBINFHSA-N 281.092 -0.338 50 20 CBGD C=CCN(C(=O)c1cc(B(O)O)ccc1F)[C@@H]1CCOC1 584981420 VTQSTQFKRZUZFH-LLVKDONJSA-N 293.103 -0.077 50 20 CBGD O=C(NC[C@@H]1CCN1C1CC1)c1cc(B(O)O)ccc1F 585005174 ADBYJULWRIDSSE-NSHDSACASA-N 292.119 -0.528 50 20 CBGD OB(O)c1ccc(CNC[C@@]2(O)CCSC2)c(F)c1 585027163 XXJQSCPHYGQZJM-LBPRGKRZSA-N 285.149 -0.537 50 20 CBGD C[C@H]1CN(C2CC2)C[C@@H]1NCc1cccc(B(O)O)c1 585029167 WIWCPZMRGCQOFE-NHYWBVRUSA-N 274.173 -0.061 50 20 CBGD C[C@H]1CN(C2CC2)C[C@H]1NCc1cccc(B(O)O)c1 585029168 WIWCPZMRGCQOFE-XHDPSFHLSA-N 274.173 -0.061 50 20 CBGD CNC(=O)C(C)(C)CNCc1ccc(B(O)O)cc1 585029866 KGTXBKYUOCVPFD-UHFFFAOYSA-N 264.134 -0.772 50 20 CBGD C[C@@](O)(CNCc1ccccc1B(O)O)C(F)(F)F 585031954 MKHGRAIKESTOSU-SNVBAGLBSA-N 277.051 -0.231 50 20 CBGD COc1nc(C)cc(CNCc2ccc(B(O)O)o2)n1 585049532 RJNLDPGZLJDYEC-UHFFFAOYSA-N 277.089 -0.644 50 20 CBGD CC(C)NC(=O)Nc1ccc(C(=O)NCB(O)O)cc1 585062146 QPRRSYLRTLFQDI-UHFFFAOYSA-N 279.105 -0.042 50 20 CBGD C[C@@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)Cc1cc[nH]n1 730091840 ZBLYAHXGYPSEFF-KOLCDFICSA-N 296.327 -0.316 50 20 CBGD C#CCCCNC(=O)NNC(=O)C(=O)N1CCCC1 745902002 WQCCNQLTPFWTAO-UHFFFAOYSA-N 266.301 -0.647 50 20 CBGD O=C(CO)NNC(=O)c1cc(-c2ccco2)[nH]n1 753438751 RKLWCZIOGKPJFG-UHFFFAOYSA-N 250.214 -0.577 50 20 CBGD O=C(CO)NNC(=O)Nc1ccccc1Cn1cncn1 756152957 WETURNPHSMRDLI-UHFFFAOYSA-N 290.283 -0.529 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1C[C@@H](C)N(C)C1 761810628 SUERDBKZFKIWJB-HTQZYQBOSA-N 276.362 -0.880 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1Cl 764429395 RCFGKPJNTZSQRO-UHFFFAOYSA-N 285.687 -0.273 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C(C)(C)O 772070219 PNKKDZBWRWKLIQ-MRVPVSSYSA-N 274.317 -0.118 50 20 CBGD CC(=O)NNS(=O)(=O)c1cc([N+](=O)[O-])c(O)cc1C 775248308 XJKRJMYWIUAFEI-UHFFFAOYSA-N 289.269 -0.062 50 20 CBGD CCNC(=O)CC(=O)NNc1nccnc1OC 789909530 SRWVEHQCHSTNQS-UHFFFAOYSA-N 253.262 -0.546 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)N=c1cc[nH]cc1 802035340 FRXADFOKCIWLEY-UHFFFAOYSA-N 265.273 -0.866 50 20 CBGD O=C(Cc1ccc(F)cn1)NNC(=O)Cc1cc[nH]n1 806808687 LDAMXNXIWCBNGB-UHFFFAOYSA-N 277.259 -0.124 50 20 CBGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1c[nH]nc1C 814816005 LILCACPAFJUGGX-VIFPVBQESA-N 299.356 -0.072 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H]1COCCN1CC 822799379 BZFZNDGTMROORS-VIFPVBQESA-N 258.322 -0.553 50 20 CBGD NC(=O)C(=O)NN=C1CCCc2cc(-c3nn[nH]n3)ccc21 822850439 HNRSZOOWAVTHCG-UHFFFAOYSA-N 299.294 -0.491 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CCCCN(C)C1=O 823559650 ZYNZPFXXEHMNKT-QMMMGPOBSA-N 272.374 -0.288 50 20 CBGD CCN(CCO)NC(=O)c1cnc2ccc(C)cn2c1=O 823841282 GNGDVLDDOBDABJ-UHFFFAOYSA-N 290.323 -0.038 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CN1CCCCCC1=O 823987709 LFKPCTSEPGXPOT-JTQLQIEISA-N 257.334 -0.267 50 20 CBGD CC(=NNC(=O)c1c[nH]nc1C)c1cn(CC(=O)O)nn1 825804511 KWAZSXOIAVILQE-UHFFFAOYSA-N 291.271 -0.452 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)c1cccc(C#N)c1 826089873 QOJYDRIOZXGQLZ-NSHDSACASA-N 277.280 -0.019 50 20 CBGD O=C(O)[C@@H](NNC(=O)[C@H]1COCCO1)c1ccc(F)cc1 833149588 VCSHDHXWCYQXOW-MNOVXSKESA-N 298.270 -0.012 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCCN1C(=O)C1CC1 844131865 AKBSJMCXQXHUOC-JTQLQIEISA-N 282.344 -0.904 50 20 CBGD O=C(NNC(=S)NCC1CC1)C(=O)N1CCCC1 849256245 VRIHGUPMYUMGRP-UHFFFAOYSA-N 270.358 -0.486 50 20 CBGD C[C@H](NC(=S)NNC(=O)C1(C(N)=O)CC1)C1CC1 855100408 BCRXCERHFDVYPA-LURJTMIESA-N 270.358 -0.454 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cc[nH]n2)c(=O)n1 855357044 YMWPGBKIFQFOLD-UHFFFAOYSA-N 290.283 -0.956 50 20 CBGD CC(C)CCO[C@@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862452677 GVERFIQKYJNCDM-VHSXEESVSA-N 285.344 -0.136 50 20 CBGD CNC(=O)[C@H](CO)NS(=O)(=O)CC(C)(C)CCl 867107646 RORWABWWDWMPEH-ZETCQYMHSA-N 286.781 -0.722 50 20 CBGD Cc1cc(=NNC(=O)N[C@@H]2CC(=O)N(C)C2)cc[nH]1 875350662 NJFLDKOYABOOGW-SNVBAGLBSA-N 263.301 -0.331 50 20 CBGD COC(=O)C[C@H](O)CNS(=O)(=O)CCCCl 882455460 SIHVWHYETOJHCN-ZETCQYMHSA-N 273.738 -0.541 50 20 CBGD CC(C)CS(=O)(=O)CCC(=O)NN(C)C[C@@H](C)O 910170604 NAFFDBPYOJACGU-SNVBAGLBSA-N 280.390 -0.209 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@H]1CCC(=O)NC1 915695111 KRRNTMWOAINFDL-QMMMGPOBSA-N 264.285 -0.688 50 20 CBGD NC(=O)C(=O)NN=Cc1cn2cc(Cl)ccc2n1 920359314 XZHRDKKSVQGWDS-UHFFFAOYSA-N 265.660 -0.077 50 20 CBGD CC(C)C(=O)NNC(=O)CN1[C@H]2CC[C@@H]1CCN(C)C2 931718847 FUZQMINMLNYQBH-NEPJUHHUSA-N 282.388 -0.042 50 20 CBGD O=C(CN1CC[C@@H]1CO)NNC(=O)c1ccccc1 934021408 FMVCNJYLWKJIRJ-LLVKDONJSA-N 263.297 -0.486 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H](C)CS(C)(=O)=O 1116182699 SDLHMTMRKSOCAT-MRVPVSSYSA-N 295.361 -0.966 50 20 CBGD O=C(NNC(=O)[C@@H]1CCNC1=O)c1n[nH]c2c1CCCC2 1118611840 RUDDKXZMXJCNCU-MRVPVSSYSA-N 291.311 -0.814 50 20 CBGD CC1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCOCC1 1118884609 KWMOWIOXSMQOTQ-QMMMGPOBSA-N 269.301 -0.771 50 20 CBGD CC(=O)N[C@](C)(C(=O)NN)c1ccc(S(C)(=O)=O)cc1 1261494854 HTPRUGCRPIEMMQ-LBPRGKRZSA-N 299.352 -0.569 50 20 CBGD NC(=O)[C@H]1CC[C@@H](CNC(=O)NNc2cccnn2)O1 1319284215 MJHRTQYHRDLTPI-JGVFFNPUSA-N 280.288 -0.864 50 20 CBGD O=C(CCO)NNC(=O)Nc1cccc(N2CCC2=O)c1 1326765346 BIIYLBVJMGYCFO-UHFFFAOYSA-N 292.295 -0.042 50 20 CBGD C[C@@H](CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)C(=O)O 1327680817 SPUWJLRUGZLCBO-XVKPBYJWSA-N 293.345 -0.912 50 20 CBGD Cc1cc(=NNC(=O)COCc2nncn2C)cc[nH]1 1329275300 VVDJONBLCHWQMF-UHFFFAOYSA-N 276.300 -0.400 50 20 CBGD Cc1onc(CO)c1C(=O)NNC(=O)N1CCN(C)CC1 1329277820 WLZNYCWXTLSWMJ-UHFFFAOYSA-N 297.315 -0.923 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=S)NC(C)(C)C)C1 1331900950 RKXFYTOACXPVAO-UHFFFAOYSA-N 272.374 -0.242 50 20 CBGD COCCN(C)NC(=O)c1ccc(C(=O)O)n1C 1599231987 JVRIZCLFONQARQ-UHFFFAOYSA-N 255.274 -0.054 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)NC[C@H](F)C(=O)O)cn1 1600946434 MPROAWAPIHLUJA-JWNFGPPVSA-N 266.232 -0.134 50 20 CBGD CC(C)CC(=O)NNS(=O)(=O)c1n[nH]cc1C(=O)O 1603762276 ZFBXRNJVRLVMQO-UHFFFAOYSA-N 290.301 -0.537 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)O)cc1 1604859330 JMMDCEHXMQHYKT-UHFFFAOYSA-N 279.252 -0.119 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@]1(C(=O)O)CCCO1 1605765383 YQTPWFBMBCKDQY-NSHDSACASA-N 271.273 -0.639 50 20 CBGD O=C(NNc1nc[nH]n1)c1cc(-c2nn[nH]n2)ccn1 1609560157 XXOCAKIOXVLGQQ-UHFFFAOYSA-N 272.232 -0.863 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc(OCC(=O)O)cc1 1609681052 IERTXBOFRXHRIL-UHFFFAOYSA-N 296.279 -0.318 50 20 CBGD COc1ccc(CNC(=O)NNC(=O)C(=O)O)c(OC)n1 1610334923 JCGORZXMCZNWHG-UHFFFAOYSA-N 298.255 -0.986 50 20 CBGD CC(=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847558216 IQFAELPCOJKRRE-LPEHRKFASA-N 288.731 -0.623 50 20 CBGD CN1C(=O)C[C@H](NS(=O)(=O)CCCCCl)C1=O 228335999 RLWRXSAUOSXOHL-ZETCQYMHSA-N 282.749 -0.318 50 20 CBGD CCOC(=O)NCC(=O)NNc1ncncc1F 294191556 XKARGWMCUQOZNB-UHFFFAOYSA-N 257.225 -0.195 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)[C@@H]2COCCO2)cc1 298461483 YLKOPAFAQJBVPP-LBPRGKRZSA-N 294.307 -0.063 50 20 CBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NN(C)C(N)=O)C2 496963963 RJPWXVUKPABKCV-CIUDSAMLSA-N 282.300 -0.329 50 20 CBGD CC(C)[C@@H](O)CNC(=O)c1cc(B(O)O)ccc1F 584959660 JTOWQXJZGVTCCE-NSHDSACASA-N 269.081 -0.748 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)CCO1 584969533 NAXPGDZLQBLMGY-SCZZXKLOSA-N 281.092 -0.197 50 20 CBGD C[C@@H](O)[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584971816 FKHJQGLFJZOFAB-KOLCDFICSA-N 263.102 -0.791 50 20 CBGD CN1CC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2C1 584971867 GQYMGSQLNYSCGO-BXUZGUMPSA-N 288.156 -0.467 50 20 CBGD C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1CO 584979084 KQWZONPOVUGMKB-BXKDBHETSA-N 263.102 -0.791 50 20 CBGD C[C@@H]([C@@H](C)NCc1ccc(B(O)O)o1)n1cncn1 585020414 WQGUEEKQARBLSV-BDAKNGLRSA-N 264.094 -0.710 50 20 CBGD O=C(CNCc1ccc(B(O)O)cc1F)NCC1CC1 585034468 PSLSBSAKQBGCHE-UHFFFAOYSA-N 280.108 -0.879 50 20 CBGD OCC[C@@H](NCc1cccc(B(O)O)c1)C1CCOCC1 585037130 VTGQHXKUEYIXIX-OAHLLOKOSA-N 293.172 -0.366 50 20 CBGD CN1CCC[C@@H](CCNCc2ccc(B(O)O)o2)C1 585045554 DHPSOFVDKQWHRK-NSHDSACASA-N 266.150 -0.219 50 20 CBGD CO[C@@H](CS(=O)(=O)NCB(O)O)C1CCCC1 585057450 USCDPHBGGZOOOV-VIFPVBQESA-N 265.140 -0.877 50 20 CBGD O=C(NNC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccc[nH]1 747663917 SZPIBQCPRITCSG-QMMMGPOBSA-N 276.296 -0.213 50 20 CBGD CNc1c(C(=O)NNC(=O)CN(C)C)cccc1[N+](=O)[O-] 765851443 BCGMJKVUKNKBIK-UHFFFAOYSA-N 295.299 -0.041 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)C(C)(C)C(N)=O)n1 767439903 IVXNFWANCNZGKH-UHFFFAOYSA-N 281.316 -0.841 50 20 CBGD O=C(CO)NNC(=O)c1ccc2c(O)nc(S)nc2c1 777782244 ZOGRSOKDJHANID-UHFFFAOYSA-N 294.292 -0.623 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCCN1S(C)(=O)=O 780708303 FCMLEEZCDGLHNT-QMMMGPOBSA-N 292.361 -0.897 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CC(=O)N(C2CC2)C1 780710404 BUDRSDNCRCWEOR-QMMMGPOBSA-N 268.317 -0.310 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)[C@@]1(C)CCCO1 782221553 MLUJKDWJQORYEL-GZMMTYOYSA-N 291.373 -0.015 50 20 CBGD Cc1ncc(CO)c(C=NNC(=O)C(C)(C)O)c1O 785457597 AYGIEGZPWCVPSC-UHFFFAOYSA-N 267.285 -0.191 50 20 CBGD C[C@@H](O)C(=O)NNC(=O)CCOc1ccccc1 786847836 AAJYVRVOBYLESC-SECBINFHSA-N 252.270 -0.016 50 20 CBGD O=C(NNC(=O)c1c(F)ccc(O)c1F)C(=O)NC1CC1 798152726 FHNCGPCMOTXDCN-UHFFFAOYSA-N 299.233 -0.290 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cc([N+](=O)[O-])n[nH]2)n[nH]1 802938643 URQFCVJBNPDZEX-UHFFFAOYSA-N 279.216 -0.576 50 20 CBGD CSSCCNC(=O)[C@@H](CO)NC(N)=O 803480583 NTPXLTKNEPFJGY-RXMQYKEDSA-N 253.349 -0.857 50 20 CBGD C#Cc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)nc1 807381668 CWVKXKHTQNWSQR-UHFFFAOYSA-N 287.323 -0.335 50 20 CBGD COCCN(C)NC(=O)C(=O)N1CCC(C)CC1 816561360 VBOIYPIHRCKNTQ-UHFFFAOYSA-N 257.334 -0.146 50 20 CBGD C=CCCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 820772113 ZSULZKMWZIKQNJ-SNVBAGLBSA-N 261.347 -0.057 50 20 CBGD C[C@H](C(=O)NNC(=O)NCC(F)(F)F)N(C)C 822671954 SNVLPSRAYPWIQD-RXMQYKEDSA-N 256.228 -0.171 50 20 CBGD CCN(CCO)NC(=O)CCS(=O)(=O)CC(C)C 823846107 BMXIYCKIMAGCFW-UHFFFAOYSA-N 280.390 -0.207 50 20 CBGD Cc1ccn(C[C@@](C)(O)C(=O)NN(C)[C@@H](C)CO)c(=O)c1 823928468 NMHMNTDGRCBYJS-SMDDNHRTSA-N 297.355 -0.748 50 20 CBGD NC(=O)NCCC(=O)NNc1cccc(-c2nn[nH]n2)c1 826393045 ZGOAZCYKULUCPB-UHFFFAOYSA-N 290.287 -0.632 50 20 CBGD O=C(NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1ccoc1 826445304 OPJBMOMAQWUPET-UHFFFAOYSA-N 287.239 -0.137 50 20 CBGD CC1=NO[C@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)C1 827658098 UYIOXBDDSYXLAL-ZETCQYMHSA-N 291.271 -0.323 50 20 CBGD Cn1ccc(CC(=O)NNC(=O)[C@H]2CCCCO2)n1 843601486 NGRNTCYYVQXVFD-SNVBAGLBSA-N 266.301 -0.321 50 20 CBGD CNc1nccc(C(=O)NNC(=O)C(C)(C)O)c1[N+](=O)[O-] 847855313 KDMHVCPNTJZRFK-UHFFFAOYSA-N 297.271 -0.437 50 20 CBGD CC[C@H](CS(=O)(=O)NNC(=O)c1cc[nH]n1)OC 849310971 XSRQODNPVKQPHV-SSDOTTSWSA-N 276.318 -0.601 50 20 CBGD O=S(=O)(CBr)NC[C@@H]1CNCCCO1 850588284 ZFQNJCHZYDPZCY-ZETCQYMHSA-N 287.179 -0.363 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)C)C[C@H]1COCCO1 852495573 KJNYGHFNMKGEML-JTQLQIEISA-N 287.360 -0.473 50 20 CBGD CO[C@@H](C=NNC(=O)[C@@H](C)NS(C)(=O)=O)C1CC1 853303912 TXEXGRIYJTXISV-APPZFPTMSA-N 277.346 -0.549 50 20 CBGD C#C[C@@H](CC)NC(=O)NNC(=O)C(=O)N1CCCC1 854069903 FEOBSDVJGQMSDD-VIFPVBQESA-N 266.301 -0.649 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccn2nnnc2c1 855005984 KZOLYMDZJMVPJS-APPZFPTMSA-N 290.283 -0.690 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cn(C2CC2)nn1 859266463 LBRHVMPFKBYPQU-UHFFFAOYSA-N 275.272 -0.281 50 20 CBGD CS[C@@H](C)CCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862459994 CSIKHEYMGQCKKJ-JGVFFNPUSA-N 273.358 -0.056 50 20 CBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cncnc1C 863151213 IMMLSPTVJRUKIS-JTQLQIEISA-N 261.285 -0.096 50 20 CBGD O=C(NOC1CCOCC1)c1cccc(B(O)O)c1 863879541 VDDQXYXKRQXLED-UHFFFAOYSA-N 265.074 -0.793 50 20 CBGD O=C(CN1CCOC1=O)NNC(=O)NC1CCCC1 874245700 ZFGOBCKOSCDROX-UHFFFAOYSA-N 270.289 -0.288 50 20 CBGD CCN1C[C@@H](NC(=O)NNC(=O)C2CCOCC2)CC1=O 883677066 FEGRRJSJAIURDA-JTQLQIEISA-N 298.343 -0.636 50 20 CBGD CN1CC[C@H]1CNC(=O)NNC(=O)Cc1cccnc1 925407259 JKTNWGFSZBHMCP-NSHDSACASA-N 277.328 -0.341 50 20 CBGD CO[C@@H](C(=O)NNc1nnc(C)c(O)n1)C1CC1 1116875546 JTNKJGZPRVCLRW-SSDOTTSWSA-N 253.262 -0.246 50 20 CBGD Cc1ncccc1CC(=O)NNC(=O)C(=O)NC(C)C 1117127825 VYKNJLVOSZOERZ-UHFFFAOYSA-N 278.312 -0.395 50 20 CBGD CSCc1cnc(C=NNC(=O)C(N)=O)s1 1117740556 AXFBGVNSPUTOEO-UHFFFAOYSA-N 258.328 -0.059 50 20 CBGD Cc1cc(CC(=O)NNC(=O)CNC(C)(C)C)n[nH]1 1118972446 CLRNXLKUVMKRTP-UHFFFAOYSA-N 267.333 -0.204 50 20 CBGD NC(=O)C(=O)NNC(=O)c1cccc2ncccc12 1261908237 HEMFNKMXZJWIDB-UHFFFAOYSA-N 258.237 -0.519 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)CCn1cnnn1 1262167179 CVZLGCYYTUUZTA-UHFFFAOYSA-N 271.350 -0.643 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1nnc2n1CCC2 1319582612 TUPQJWBFSQPCDP-SECBINFHSA-N 294.359 -0.398 50 20 CBGD Cc1ocnc1CNC(=O)NNC(=O)C(=O)N1CCCC1 1320620482 ZXMSIWZSOSRABO-UHFFFAOYSA-N 295.299 -0.564 50 20 CBGD O=C(NNC(=O)c1ccc(F)nc1)C(=O)N1CCCC1 1322225521 LCDKOBACBBFIPV-UHFFFAOYSA-N 280.259 -0.396 50 20 CBGD COCCOCc1ccc(C=NNC(=O)C(N)=O)cc1 1323313050 XEQANZDPEFVHGN-UHFFFAOYSA-N 279.296 -0.215 50 20 CBGD O=C(NNC(=O)N1CCO[C@H]2C[C@H]21)c1cn[nH]c1 1329759758 QJKLRQZZTHTMFA-SFYZADRCSA-N 251.246 -0.763 50 20 CBGD CO[C@H](C=NNC(=O)CS(C)(=O)=O)C1CCOCC1 1331723513 UQDWXPAKMJAUME-SNVBAGLBSA-N 292.357 -0.425 50 20 CBGD Cc1ccc(NNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)nn1 1332093712 LJWVYGQJELHAPN-BDAKNGLRSA-N 294.315 -0.133 50 20 CBGD C=C[C@](C)(O)C(=O)NNc1nc(O)c2cnn(C)c2n1 1334631348 FFLDMRHEFHDLJW-NSHDSACASA-N 278.272 -0.551 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@]2(CCOC2=O)C1 1336871912 FDCIBKVZIXJKDM-AWEZNQCLSA-N 289.096 -0.854 50 20 CBGD COc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)on1 1337969801 VOVYDSMEAJPVIC-UHFFFAOYSA-N 282.256 -0.933 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccc(-n2cncn2)nc1 1342038894 ZNAYWQIDXXDXPA-UHFFFAOYSA-N 289.299 -0.032 50 20 CBGD COC(=O)N(C)NC(=O)[C@H]1CN2CCN1C[C@@H]2C 1347056315 QJEQLDCOPXAJIV-DTWKUNHWSA-N 256.306 -0.896 50 20 CBGD CO[C@H]1CN[C@H](C(=O)NNC(=O)c2cccc(C)n2)C1 1574006482 MGMRHTYZKXRTRB-KOLCDFICSA-N 278.312 -0.472 50 20 CBGD O=C(O)CC[C@@H]1C[C@H](C(=O)NNc2nc[nH]n2)CO1 1574686271 JVYRBERLKBJFFO-NKWVEPMBSA-N 269.261 -0.482 50 20 CBGD NCCCC(=O)NNC(=O)c1cncc(N2CCCC2)n1 1580289415 KVHLBAOLOXLXMJ-UHFFFAOYSA-N 292.343 -0.423 50 20 CBGD C#CCCCC(=O)NNC(=O)c1cnc(C(=O)O)cn1 1588391889 QZKCMAKFRKOEKJ-UHFFFAOYSA-N 276.252 -0.261 50 20 CBGD OB(O)[C@H]1CCN(Cc2cc(-c3nn[nH]n3)cs2)C1 1593497879 GBKUMXHFOXZFQJ-QMMMGPOBSA-N 279.134 -0.023 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@H]1CC[C@H]1C(=O)O 1601371631 WGOYWEMIPMDXIA-VHSXEESVSA-N 277.280 -0.118 50 20 CBGD O=C(NCCc1cscn1)NNC(=O)C(=O)O 1601514789 MRMIMJDXPGCNMA-UHFFFAOYSA-N 258.259 -0.899 50 20 CBGD O=C(O)c1ccc(C(=O)NNC(=O)c2ncon2)c(F)c1 1602323694 SLBRZPWRFQLNBX-UHFFFAOYSA-N 294.198 -0.018 50 20 CBGD CN(C)CC(=O)NN=Cc1ccn([C@H]2C[C@H](C(=O)O)C2)n1 1776042127 NCCWBIFQNZZOEK-HOMQSWHASA-N 293.327 -0.070 50 20 CBGD CCOCCN(CC)CC(=O)NNC(=O)C1CC1 112981542 DDDRYXAHHMYKSG-UHFFFAOYSA-N 257.334 -0.098 50 20 CBGD COC[C@H](O)CCNS(=O)(=O)CCCCl 230188773 GOEJWZSUNLYGJA-MRVPVSSYSA-N 259.755 -0.068 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC=CCC1 264181314 YTKQVJOBXJFTQY-RKDXNWHRSA-N 289.357 -0.572 50 20 CBGD CC[C@@H](C(=O)NNC(=O)C1CC1)N1CCCC1=O 266167456 RJZGPUIGOWRZGT-VIFPVBQESA-N 253.302 -0.055 50 20 CBGD CC(C)NC(=O)N1CCC[C@H]1C(=O)NNC(=O)N(C)C 268470837 JEKJPKWGBKUAPT-VIFPVBQESA-N 285.348 -0.129 50 20 CBGD COc1c(C(=O)NNC(=O)c2cc(C)n[nH]2)c(C)nn1C 270713138 VJUGAHJTYKLQBT-UHFFFAOYSA-N 292.299 -0.157 50 20 CBGD C=CCNC(=O)CNC(=O)NNc1nc(C)cc(OC)n1 271952716 DWAGQCUUGWMCQZ-UHFFFAOYSA-N 294.315 -0.278 50 20 CBGD COc1cccc(NNC(=O)[C@@H]2CCC(=O)N2)n1 273028110 SJFPQQUZGYCJPC-ZETCQYMHSA-N 250.258 -0.188 50 20 CBGD C[C@@]1(CNC(=O)c2ccc(B(O)O)c(F)c2)CCCO1 584958320 QUYPZOPTSSKJRF-ZDUSSCGKSA-N 281.092 -0.196 50 20 CBGD C[C@@H]1CC[C@@H](O)CN1C(=O)c1ccc(B(O)O)cc1 584984820 CMQIBAZDUJFEFI-BXKDBHETSA-N 263.102 -0.648 50 20 CBGD CO[C@@H](C)[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 584990517 FAKYHGCCKYUQMD-BDAKNGLRSA-N 251.091 -0.480 50 20 CBGD CN1CC[C@@H]2CN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 584997283 CQYKABVECZEEKM-YPMHNXCESA-N 274.129 -0.858 50 20 CBGD CO[C@@](C)(CNCc1ccc(B(O)O)o1)C1CC1 585043920 WSOIOQRDEYULQK-LBPRGKRZSA-N 253.107 -0.136 50 20 CBGD CN1CCC[C@H]1CCNCc1ccc(B(O)O)o1 585047141 IREKRCLEUUFLKX-JTQLQIEISA-N 252.123 -0.467 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)c2ccccn2)CCC1 729965371 XIVDIFMWZXMTNZ-UHFFFAOYSA-N 276.296 -0.241 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(C(=O)C2CC2)CC1 732196561 AWGAHRYDJVJDAL-JTQLQIEISA-N 296.371 -0.514 50 20 CBGD Cc1nc(SCC(=O)NNC(=O)NCC2CC2)n[nH]1 746166712 FPCJPJBRXAYBJK-UHFFFAOYSA-N 284.345 -0.054 50 20 CBGD O=C(Cc1ccc(O)cc1)NNC(=O)CN1CCCC1=O 751617061 KFFMIWHZMRYJPN-UHFFFAOYSA-N 291.307 -0.296 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)CO)c2ccccc21 753440265 YTSVVDUJHBGJJN-SNVBAGLBSA-N 263.297 -0.250 50 20 CBGD CNC(=O)NNC(=O)CNC(=O)c1ccc(F)cc1 763975254 KVYJVMNEHKQHMR-UHFFFAOYSA-N 268.248 -0.484 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cncc(O)c1 772115853 QXEDKIZFOGHTRD-SSDOTTSWSA-N 281.268 -0.110 50 20 CBGD COc1ccc(C=O)c(OCC(=O)NN(C)C(N)=O)c1 778418479 MIOCVECZPDIKLB-UHFFFAOYSA-N 281.268 -0.072 50 20 CBGD C/C=C(\CC)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 788687191 DOTAXPYPYWHYIE-QZGLAHODSA-N 274.342 -0.075 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@]2(CCOC2)O1 796555746 LBKVSCFDTKOROG-HZMBPMFUSA-N 297.355 -0.576 50 20 CBGD O=C(CCCN1C(=O)CNC1=O)NNc1cccc(F)n1 804771696 JXNOGVFMEXVKDK-UHFFFAOYSA-N 295.274 -0.004 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1cccc(F)n1 804772219 BMJYMMNLFYREJL-ZCFIWIBFSA-N 276.293 -0.399 50 20 CBGD CS(C)(=O)=NS(=O)(=O)NNC(=O)c1ccccc1 821119205 MOCLVDIKHSVAQV-UHFFFAOYSA-N 291.354 -0.107 50 20 CBGD CCN(CCO)NC(=O)CS(=O)(=O)CC(C)C 823847292 UZSZDDIQNBTFFM-UHFFFAOYSA-N 266.363 -0.597 50 20 CBGD COCCn1cc(C(=O)NN(C)[C@H](C)CO)cn1 823907036 GDLLJZXWODOMNY-SECBINFHSA-N 256.306 -0.513 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@@](F)(C(=O)O)C1 826134942 KSQMIWXMCXAMMY-LBPRGKRZSA-N 289.307 -0.322 50 20 CBGD COc1cc(C)nc(NNC(=O)C2(n3cnnn3)CC2)n1 829482932 UWQLIYZWZPBCHD-UHFFFAOYSA-N 290.287 -0.587 50 20 CBGD O=C(O)NCC(=O)NNC(=O)Cc1cn2ccccc2n1 832397225 OTXPSFMEDCMVBV-UHFFFAOYSA-N 291.267 -0.708 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@@H]2C(=O)O)n[nH]1 832864454 GPIFVTNGHSRTNR-RITPCOANSA-N 252.230 -0.800 50 20 CBGD CON1CCC(=NNC(=O)N2CCN(C)CC2)CC1 834972589 ILVRDUXZPHWGAO-UHFFFAOYSA-N 269.349 -0.043 50 20 CBGD COC(=O)C1(O)CCN(S(=O)(=O)CCl)CC1 849383844 URSIUCLDMYPIOK-UHFFFAOYSA-N 271.722 -0.488 50 20 CBGD CO[C@H](C)CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 852393700 HTHQTZLVBQBAFO-IWSPIJDZSA-N 259.306 -0.223 50 20 CBGD CN1CCN(C(=O)NNC(=O)C2=COCC2)CC1 854378792 BVBUPODDLNHAAE-UHFFFAOYSA-N 254.290 -0.721 50 20 CBGD COCn1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)n1 854683994 XZONRBZMZOWVNH-SNVBAGLBSA-N 282.300 -0.183 50 20 CBGD O=C(CN1CCCNC1=O)NNC(=O)OCC(F)(F)F 856025692 WHBRBEFNNWCIHT-UHFFFAOYSA-N 298.221 -0.279 50 20 CBGD CN(C)C1(CNC(=O)NNC(=O)c2cn[nH]c2)CCC1 858380423 DSBUXQXEOTUZAX-UHFFFAOYSA-N 280.332 -0.162 50 20 CBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CS1 858538745 PFJQJOTYJKXUHP-CSMHCCOUSA-N 286.357 -0.511 50 20 CBGD CCc1c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)ccn1C 862462717 QXOIGBOILNRNJJ-SECBINFHSA-N 278.312 -0.373 50 20 CBGD CON(C)C(=O)[C@H](C)NC(=O)/C(C#N)=C/c1cnn(C)c1 863631297 IOVVNHJBTKJESN-WUFUFFIZSA-N 291.311 -0.148 50 20 CBGD Cn1cc(N2C[C@H](C(=O)NNc3nc[nH]n3)CC2=O)cn1 863917094 USHVAMOBFZLZQJ-SSDOTTSWSA-N 290.287 -0.966 50 20 CBGD CCC(=O)C1(C(=O)NNC(=O)COCCOC)CC1 869905244 LOCXKUKIJDAFQN-UHFFFAOYSA-N 272.301 -0.444 50 20 CBGD CCc1nnc(C(=O)NNC(=O)N2CCOCC2)s1 900427296 XQHISXSJZYJLEH-UHFFFAOYSA-N 285.329 -0.213 50 20 CBGD COC(=O)CC(=O)NNC(=S)NCCSC 907194847 GUCYZDIUGCHAKZ-UHFFFAOYSA-N 265.360 -0.592 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 910171220 VFZAZJQRUQJUIL-NXEZZACHSA-N 271.361 -0.023 50 20 CBGD Cn1c(=NNC(=O)[C@H](N)CO)sc2ccccc21 911946098 CCEJDHHPRFCHKG-SSDOTTSWSA-N 266.326 -0.509 50 20 CBGD CCC[C@@](C)(O)C(=O)NNC(=O)CN1CCCC1=O 913731576 NNSIZEOPEDDXQN-GFCCVEGCSA-N 271.317 -0.693 50 20 CBGD CCN(CCC(=O)NC)CC(=O)NNC(=O)C(C)(C)C 933862983 HCEQESRMKVOMTL-UHFFFAOYSA-N 286.376 -0.362 50 20 CBGD C[C@@H](C(=O)NNc1ncnc2[nH]cnc12)n1cncn1 1116566830 VZYQSBLWRUIKBZ-LURJTMIESA-N 273.260 -0.351 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCCN(C(N)=O)C1 1261499632 QANBKIZPXARBRP-LPEHRKFASA-N 298.343 -0.651 50 20 CBGD CNC(=O)NNC(=O)c1cc2c(nc1O)CCC2 1318041414 ZUXVDAOOPUUQTC-UHFFFAOYSA-N 250.258 -0.150 50 20 CBGD CCc1ncc(NC(=O)C(=O)NNC(=O)C2CC2)cn1 1320349289 ZFRYCLQQKDIHGM-UHFFFAOYSA-N 277.284 -0.465 50 20 CBGD Cc1nc(C(=O)NNC(=O)CC2CC2)nn1-c1nc[nH]n1 1325073438 KYGLRTNLYPHSHY-UHFFFAOYSA-N 290.287 -0.745 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F 1330223962 XKYLVRWZBZBMJF-WHFBIAKZSA-N 282.222 -0.739 50 20 CBGD COC(=O)C(=O)NN[C@@H](C(=O)OC)c1ccc(F)cc1 1330772933 GQCZSDYVFUJDFN-SECBINFHSA-N 284.243 -0.166 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@H]1CCc2nncn2C1 1334405297 OBWSHYQKYADMFE-LURJTMIESA-N 291.233 -0.060 50 20 CBGD COCc1cn(CC(=O)NNC(=O)C(C)C)nn1 1335624316 AORGOIHRAAHQHD-UHFFFAOYSA-N 255.278 -0.772 50 20 CBGD CC(=O)CCCC(=O)NNC(=O)Cc1cc[nH]n1 1338268629 YJYRIORQIOGTMR-UHFFFAOYSA-N 252.274 -0.141 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccc(C(N)=O)o2)cn1 1340878935 YOALFGURSUJANJ-UHFFFAOYSA-N 277.240 -0.813 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H](C)n1ccnc1 1352009519 ITMZRQLGYUXTEW-SECBINFHSA-N 270.289 -0.746 50 20 CBGD Cn1cc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c(O)n1 1549320729 NNOPKOFACODNJY-GHMZBOCLSA-N 293.327 -0.561 50 20 CBGD CN(C)C(=O)/C=C/C(=O)NNc1ncccc1C(=O)O 1593684484 XRIKVYOMNYJGKO-AATRIKPKSA-N 278.268 -0.133 50 20 CBGD COc1cccc(NCC(=O)NNC(=O)[C@@H](C)C(=O)O)c1 1594131119 LVIOWNSLFGUIBN-MRVPVSSYSA-N 295.295 -0.025 50 20 CBGD Cn1nncc1NNC(=O)[C@@]1(C(=O)O)CC1(C)C 1594598522 SPFFQGRKICXNTB-SNVBAGLBSA-N 253.262 -0.241 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@@H]1CC[C@H]1C(=O)O 1594746276 QLJIIUVEBFDPKA-HTQZYQBOSA-N 255.274 -0.162 50 20 CBGD O=C(O)CCCC(=O)NNC(=O)CNC(=O)c1ccco1 1601978931 NLKICPSQFYZVOT-UHFFFAOYSA-N 297.267 -0.588 50 20 CBGD CC[C@@H](C(=O)O)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1604869889 YELFHAMNHMCHSF-DTWKUNHWSA-N 292.357 -0.411 50 20 CBGD O=C(CC[C@@H]1C[C@H](C(=O)O)CO1)NNC(=O)c1cn[nH]c1 1608314444 ZNCBBAJIJBFYCN-IONNQARKSA-N 296.283 -0.559 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1COC2(CCC2)C1 1608477892 OXXLSSWIPKJBSE-LURJTMIESA-N 257.246 -0.887 50 20 CBGD CC(C)C[C@H](CCO)CNC(=O)NNC(=O)C(=O)O 1609692050 BJAJMSQEHNOXTD-QMMMGPOBSA-N 275.305 -0.554 50 20 CBGD Cc1[nH]c(C(=O)O)c(C)c1C(=O)NNC(=O)C(C)(C)O 1610403265 BYWZQRJYOXGOHR-UHFFFAOYSA-N 283.284 -0.138 50 20 CBGD NCC(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1 1846387431 WGWUZQRDJQYNHI-UHFFFAOYSA-N 280.155 -0.048 50 20 CBGD O=C(CO)NNC(=O)COc1ccc(F)cc1F 180951093 SBVPBAHODVVBMT-UHFFFAOYSA-N 260.196 -0.517 50 20 CBGD Cn1cnc(CNS(=O)(=O)CBr)n1 227982919 SCSRUTALGJFHQD-UHFFFAOYSA-N 269.124 -0.413 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@H](C)NC(N)=O)n1 279770695 HDECULBZNQTPFI-ZETCQYMHSA-N 265.273 -0.792 50 20 CBGD CCN1CC[C@@H](NC(=O)c2cccc(B(O)O)c2)C[C@H]1C 584949190 DTDGXCNLCRWJFW-BXUZGUMPSA-N 290.172 -0.031 50 20 CBGD C[C@@](O)(CNC(=O)c1cccc(B(O)O)c1)C1CC1 584953307 BAGJZCUYUXVCSP-CYBMUJFWSA-N 263.102 -0.743 50 20 CBGD C[C@H](NCc1cccc(B(O)O)c1)C(=O)NC(C)(C)C 585022670 VVFDNLMIUHRZFV-JTQLQIEISA-N 278.161 -0.241 50 20 CBGD C[C@@H](CO)[C@@H](C)NCc1ccc(B(O)O)cc1F 585025525 WJFWYZUCDYVNCW-DTWKUNHWSA-N 255.098 -0.388 50 20 CBGD CN(C)C1(CNCc2ccccc2B(O)O)CCC1 585037432 XRKOQMBACSBKGU-UHFFFAOYSA-N 262.162 -0.060 50 20 CBGD CC(C)N1C[C@H](CNCc2ccccc2B(O)O)CC1=O 585043761 QLOJEXCADPKCHV-LBPRGKRZSA-N 290.172 -0.287 50 20 CBGD COC[C@H](CCNCc1ccc(B(O)O)o1)OC 585045279 HDLQDJSQWPSYPI-JTQLQIEISA-N 257.095 -0.900 50 20 CBGD CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCB(O)O 585054864 SGFUVBGSEVWIRE-LLVKDONJSA-N 296.107 -0.292 50 20 CBGD CCNc1ncc(C(=O)N2CC[C@H](B(O)O)C2)s1 585072933 GRKIVAAFZIJEQJ-ZETCQYMHSA-N 269.135 0.264 50 20 CBGD C=CCNS(=O)(=O)c1ccc(C(=O)NN)cc1 731450449 UYYHHSKUTBXXMX-UHFFFAOYSA-N 255.299 -0.246 50 20 CBGD C=CCn1nnnc1S[C@@H](C)C(=O)NNC(=O)CC 731906251 VQMRFICFBRWWKL-ZETCQYMHSA-N 284.345 -0.103 50 20 CBGD O=C(Cn1cnc(C(=O)O)n1)NNC(=O)c1ccccc1 739361687 OJXSLIAKHYLXIV-UHFFFAOYSA-N 289.251 -0.563 50 20 CBGD CC(=O)NNC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 743286365 YOZINXLEEVWGDQ-LLVKDONJSA-N 289.291 -0.327 50 20 CBGD O=C(NN=Cc1cc[nH]c1)[C@@H]1CCS(=O)(=O)C1 745199084 GOZAAKZHSBRJQI-SECBINFHSA-N 255.299 -0.101 50 20 CBGD CN1CCO[C@H](C(=O)NNc2ccnc(N(C)C)n2)C1 754419472 GFYLSTYEKAPESB-VIFPVBQESA-N 280.332 -0.684 50 20 CBGD Cc1cc(C(=O)NNC(=O)Cc2cc[nH]n2)c(C)nn1 755282203 OASPFEMASJITPP-UHFFFAOYSA-N 274.284 -0.180 50 20 CBGD O=C(CN1CCO[C@H]([C@H]2CCCO2)C1)NNC(=O)C1CC1 756897220 WFGCQYODEZOGKY-NEPJUHHUSA-N 297.355 -0.576 50 20 CBGD Cc1ccc(NNC(=O)N[C@H]2CCCS(=O)(=O)C2)nn1 758657448 KIWZXBZBGUWTQY-VIFPVBQESA-N 299.356 -0.012 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1C[C@]12CCOC2 764090559 BINUCHOUOFWDBD-CABZTGNLSA-N 264.285 -0.094 50 20 CBGD O=C(NCC(F)F)C(=O)NNC(=O)c1ccccc1F 767411974 XNXZNLJUEVIJFD-UHFFFAOYSA-N 289.213 -0.032 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cscn1 767908604 VDTBYDSYTBFCQN-ZETCQYMHSA-N 290.370 -0.079 50 20 CBGD COC(=O)[C@@H](NCC(=O)NNC(=O)C(C)(C)C)C(C)C 781916085 PLJQUCGIJKUYKL-JTQLQIEISA-N 287.360 -0.033 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2)CN1 802034403 MFLDCRWQWCBBMA-MRVPVSSYSA-N 277.284 -0.818 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(C(N)=O)c(Cl)n1 806772116 KMYPXCWSVXRXHJ-UHFFFAOYSA-N 299.718 -0.844 50 20 CBGD COc1nnccc1NC(=O)NNC(=O)Cc1cc[nH]n1 808902312 TVPLFGIQJDBQBY-UHFFFAOYSA-N 291.271 -0.396 50 20 CBGD Cc1ccn2c(=O)c(C(=O)NN(C)[C@H](C)CO)cnc2c1 823971063 NXBPGCWVFZNWEY-SNVBAGLBSA-N 290.323 -0.040 50 20 CBGD C[C@H](CC(=O)O)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 827247731 PXPYFWZLSTUCAA-RKDXNWHRSA-N 292.357 -0.411 50 20 CBGD CC(C)N(C)S(=O)(=O)NNC(=O)[C@H]1CCCCO1 830034118 LFMWBUCCHUYSLW-SECBINFHSA-N 279.362 -0.239 50 20 CBGD COc1cc(C)nc(NNC(=O)NC[C@@H]2CNCCO2)n1 842012571 ZAGJPIQLCLJAGC-VIFPVBQESA-N 296.331 -0.592 50 20 CBGD O=C(CN1CCC[C@@H]([C@@H]2CCNC2)C1)NNC(=O)C1CC1 843387680 HTLZTWZZKZLJHP-CHWSQXEVSA-N 294.399 -0.135 50 20 CBGD CCC1(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)COC1 843655037 TVGQIRBSGBQRGJ-RKDXNWHRSA-N 256.302 -0.015 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)c1ccc[nH]1 845108533 VGVWVJCLCRNXFA-UHFFFAOYSA-N 266.301 -0.062 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)[C@@H]1CCCS1(=O)=O 847057503 FTOBKWSZYFZLCM-BDAKNGLRSA-N 290.341 -0.720 50 20 CBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)NC1CCCC1 847400914 ATJKJBYNIUNRDE-IUCAKERBSA-N 268.317 -0.229 50 20 CBGD CNC[C@H](C)NC(=O)NNC(=O)Cc1ccncc1 851679218 AJAPJAAVMJGVHG-VIFPVBQESA-N 265.317 -0.438 50 20 CBGD CN1CCN(C(=O)NNC(=O)C[C@@H]2C[C@H]3CC[C@H]2O3)CC1 854381947 VWZZQJNKDMPBPM-QJPTWQEYSA-N 296.371 -0.068 50 20 CBGD Cc1c(CCC(=O)NNC(=O)c2cc[nH]n2)cnn1C 855357224 DWJYPZSQQQXKDU-UHFFFAOYSA-N 276.300 -0.155 50 20 CBGD O=C(CO)NNC(=O)CCc1cccnc1Cl 857170801 SLDLJCGQHOVNNF-UHFFFAOYSA-N 257.677 -0.193 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)Oc1ccccn1 857432449 BDQKFJUFZRTCBP-SECBINFHSA-N 294.311 -0.479 50 20 CBGD NC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)c2cn[nH]c2)C1 862470727 VFWAGELJELIFQO-SFYZADRCSA-N 279.300 -0.538 50 20 CBGD COC[C@@H]1CCCN1NC(=O)c1ccc(B(O)O)cc1 863887796 VPNIJKLWNRQVTQ-LBPRGKRZSA-N 278.117 -0.878 50 20 CBGD O=C(CN1CCOC1=O)NNC(=O)c1ccccc1 873730611 DWVAKHLYWUKTIB-UHFFFAOYSA-N 263.253 -0.100 50 20 CBGD CN(CC(=O)NNC(=O)C(=O)N1CCCC1)CC(C)(C)C 874257730 KNCGAKUUPICRJE-UHFFFAOYSA-N 298.387 -0.266 50 20 CBGD CN(CC1CC1)S(=O)(=O)NNC(=O)C1CCOCC1 882805590 MBWWTKWKMPBTKT-UHFFFAOYSA-N 291.373 -0.380 50 20 CBGD Cc1nc([C@H](C)NCc2ccc(B(O)O)cc2)n[nH]1 894778561 RVILKSHOMFVHIR-QMMMGPOBSA-N 260.106 -0.356 50 20 CBGD C[C@H](O)CN(C)NC(=O)C(C)(C)CN1CCOCC1 910181067 BXPIKFQOMMEWRJ-NSHDSACASA-N 273.377 -0.311 50 20 CBGD C#CCN(C(=O)c1cccc(B(O)O)c1)C1CSC1 912371559 FTVWBVCVHUESKK-UHFFFAOYSA-N 275.138 -0.443 50 20 CBGD O=C(NN=C1CCS(=O)(=O)C1)c1ccccn1 912773466 UENBWKXEHZHPND-UHFFFAOYSA-N 253.283 -0.014 50 20 CBGD CCNC(=O)NNC(=O)[C@H](C)CN1CCOCC1 915879438 SFJSVHLVXFDKDG-SECBINFHSA-N 258.322 -0.695 50 20 CBGD COCCCNC(=O)NNC(=O)COCC1CC1 920862610 CUBJXKJGEGIWGC-UHFFFAOYSA-N 259.306 -0.220 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)NC[C@H]1COCO1 923856794 PFSWEPRLIFBPLE-YFKPBYRVSA-N 271.195 -0.358 50 20 CBGD CCO/C=C(\C#N)C(=O)NC[C@H]1CN(C)CCN1C 1116337968 WHRWSEWRMBPLFG-IIANPFDCSA-N 266.345 -0.208 50 20 CBGD O=C(NNc1nc[nH]n1)c1ccc(-n2cnnn2)cc1 1117760089 MERXNEPATQJDBS-UHFFFAOYSA-N 271.244 -0.463 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)C1CCOCC1 1119665627 VZKVCKGCRIXMSK-VIFPVBQESA-N 269.301 -0.819 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@@H]1CO 1263119323 DPOKFIFIGSUVGR-DJLDLDEBSA-N 257.290 -0.781 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1csc(C)n1 1319299488 KJAAHQULPZUSOK-UHFFFAOYSA-N 272.286 -0.545 50 20 CBGD Cc1cccc(F)c1NNC(=O)c1cn(CC(N)=O)nn1 1320359176 UKHRPTOUIRBHLC-UHFFFAOYSA-N 292.274 -0.032 50 20 CBGD Cn1ccnc(NNC(=O)[C@@H]2C[C@]23CCOC3)c1=O 1320532080 QOQQMUMKRJOWMY-UFBFGSQYSA-N 264.285 -0.350 50 20 CBGD Cc1cc(C(=O)NNC(=O)Cc2nnc(C)o2)n[nH]1 1324751713 OGDNHSUZNDJTBE-UHFFFAOYSA-N 264.245 -0.587 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)Cc1ccncc1 1325220246 IHRCHRDUQQWFNA-JTQLQIEISA-N 276.296 -0.608 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 1326745389 XKGRAKRCLGZZKQ-NXEZZACHSA-N 298.343 -0.493 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCCN1C=O 1328408644 VIMVWRDWVWZXFV-SNVBAGLBSA-N 298.343 -0.941 50 20 CBGD COCCOCC(=O)NNC(=S)NC[C@@H]1CCOC1 1329709156 MPXNUCKWLIZVEY-VIFPVBQESA-N 291.373 -0.819 50 20 CBGD CCNc1nc(C(=O)NNC(=O)C(=O)NC(C)C)cs1 1330709396 KEXLIVSXJORROA-UHFFFAOYSA-N 299.356 -0.140 50 20 CBGD COc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)o1 1331832987 FEDASNPAERLIPM-UHFFFAOYSA-N 276.270 -0.906 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCC1CCN(C)CC1 1339819139 RJKBKKBWKZBJPL-UHFFFAOYSA-N 286.332 -0.778 50 20 CBGD CCC1(CC)C(=O)NCCC1=NNC(=O)C(=O)OC 1348978066 ISKKRFIDPSCXTC-UHFFFAOYSA-N 269.301 -0.042 50 20 CBGD CC(C)(C)C(=O)NNC(=O)C1(S(N)(=O)=O)CC1 1349522779 VPTXXFLLYYBCIX-UHFFFAOYSA-N 263.319 -0.999 50 20 CBGD C=CCNC(=S)NNC(=O)[C@]12C[C@H]1CCCN2 1574944283 ZHICSKQVUWUCOX-KCJUWKMLSA-N 254.359 -0.190 50 20 CBGD C[C@H](CC(=O)O)C(=O)NNC(=O)c1nc[nH]c2ncnc1-2 1592359934 OUHMNQOBUGDFMS-RXMQYKEDSA-N 292.255 -0.824 50 20 CBGD CCC1(O)CCC(NC(=O)NNC(=O)C(=O)O)CC1 1595391921 ITGMMEAOOWLMLS-UHFFFAOYSA-N 273.289 -0.515 50 20 CBGD CO[C@@H]1CN(CC(=O)NNC(=O)C2CC2)[C@@](C)(C(=O)O)C1 1599131645 OHPQTAOUIMXVHY-TVQRCGJNSA-N 299.327 -0.892 50 20 CBGD O=C(NNC(=O)c1ncccn1)N[C@H]1CC=C(C(=O)O)C1 1601557512 MWEAEAQCVXJABO-QMMMGPOBSA-N 291.267 -0.406 50 20 CBGD CC1CCN(CCCNC(=O)NNC(=O)C(=O)O)CC1 1604752731 XFRCBJVYGKNCOG-UHFFFAOYSA-N 286.332 -0.477 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CCOCC1)c1ncccn1 1605814617 KQGCQTFXEKOVDV-UHFFFAOYSA-N 294.267 -0.881 50 20 CBGD COC(=O)[C@@H](NNC(=O)C(=O)O)c1ccc(F)cc1 1610155419 FEZIEXJKVKXIDW-QMMMGPOBSA-N 270.216 -0.255 50 20 CBGD Cc1ccc(CC(=O)NNC(=O)C(=O)NC(C)C)cn1 48708493 DNOMHYWCBOVQIE-UHFFFAOYSA-N 278.312 -0.395 50 20 CBGD COCC1CCN(CC(=O)NNC(=O)C2CC2)CC1 112982078 JKCIAKIPSMMYCV-UHFFFAOYSA-N 269.345 -0.098 50 20 CBGD C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)c1cnn(C)c1 117820214 IIESYAIFIHOWIU-QMMMGPOBSA-N 295.343 -0.268 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnc(C(F)(F)F)nc1 155911520 CAFPVRYTLSKVOE-UHFFFAOYSA-N 291.233 -0.182 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc2c(c1)NC(=O)CO2 265013278 CVPNRFMLGRIPIZ-UHFFFAOYSA-N 292.295 -0.660 50 20 CBGD CCS(=O)(=O)NCC(=O)NNC(=O)c1ccccc1 269311132 YVLPRUZIAWHXRO-UHFFFAOYSA-N 285.325 -0.613 50 20 CBGD CNC(=O)NCCC(=O)NNC(=S)NCCSC 294523385 KIFYSAVZHPPUQO-UHFFFAOYSA-N 293.418 -0.836 50 20 CBGD COC(=O)C[C@H](C)C(=O)NNC(=O)[C@@H]1CCCCO1 295628700 SGNMHBUVYNTZKK-IUCAKERBSA-N 272.301 -0.098 50 20 CBGD CCOC1(C(=O)Nc2cccc(B(O)O)c2)CCOCC1 584912105 PBNNFWINVUXRQG-UHFFFAOYSA-N 293.128 -0.109 50 20 CBGD C[C@H](CO)[C@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 585006987 RZFMAMBWLKVAJT-BXUZGUMPSA-N 291.156 -0.011 50 20 CBGD C[C@H]1C[C@@H](NCc2cccc(B(O)O)c2)CCN1C 585026597 IGJBMLRIGVTYJD-FZMZJTMJSA-N 262.162 -0.061 50 20 CBGD COCCOc1ccc(NCc2ccc(B(O)O)o2)cn1 585029278 DUHQTDUGFFIESA-UHFFFAOYSA-N 292.100 -0.008 50 20 CBGD OB(O)c1cccc(CN[C@H]2CCO[C@@]3(CCOC3)C2)c1 585035434 UJPBNWOFUOBJFM-GJZGRUSLSA-N 291.156 -0.206 50 20 CBGD COc1nn(C)cc1NCc1ccc(B(O)O)o1 585038193 VSOBBGTZPCRTQQ-UHFFFAOYSA-N 251.051 -0.686 50 20 CBGD OB(O)c1cccc(CNC[C@@H]2CCN2C2CC2)c1 585049173 CJUHGYWUWFTZSX-AWEZNQCLSA-N 260.146 -0.307 50 20 CBGD O=C1CCC[C@H](c2nc(-c3cccc(B(O)O)c3)no2)N1 585052548 QCECSOOAXJKWOS-SNVBAGLBSA-N 287.084 -0.242 50 20 CBGD O=S(=O)(NCB(O)O)c1cccc(OC(F)(F)F)c1 585055000 WJDDCUVXCBZWBB-UHFFFAOYSA-N 299.035 -0.125 50 20 CBGD Cc1c(/C=C/C(=O)N2CC[C@@H](B(O)O)C2)cnn1C 585064164 CWARUIOAGBBZCU-PGLGOXFNSA-N 263.106 -0.183 50 20 CBGD O=C([C@@H]1COc2ccccc2O1)N1CC[C@H](B(O)O)C1 585071161 NRJLTVHQAUKKPF-CABZTGNLSA-N 277.085 -0.098 50 20 CBGD Cc1cccc(OCC(=O)NNC(=O)C2=NNC(=O)C2)c1 731861722 LGBZBQNRVZUIAV-UHFFFAOYSA-N 290.279 -0.603 50 20 CBGD C[C@H](CS(C)(=O)=O)NC(=O)NNC(=O)C1CCC1 733659769 FIBJGMNECURPEY-SSDOTTSWSA-N 277.346 -0.450 50 20 CBGD O=C(Cn1cc([N+](=O)[O-])cn1)NNc1cnccn1 734244217 WODDJESEAMMFQJ-UHFFFAOYSA-N 263.217 -0.275 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C1(O)CCCC1 735516128 JWYKUVLIXSKSAR-UHFFFAOYSA-N 252.274 -0.216 50 20 CBGD CO[C@H](C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 736957214 FSEUVEDKGCGVMZ-SSDOTTSWSA-N 290.283 -0.337 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)Cc2ccncc2)nc1 747323091 ILEHHTOUMFRNEH-UHFFFAOYSA-N 299.290 -0.421 50 20 CBGD O=C(NN=Cc1ccc(O)c(O)c1O)C(=O)N1CCCC1 748137423 FTMQBIWFMKFLAE-UHFFFAOYSA-N 293.279 -0.124 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCNC(=O)C2)n[nH]1 754476639 ZABZIRRJAXRULE-ZETCQYMHSA-N 265.273 -0.995 50 20 CBGD CCOCCO[C@@H](C)C(=O)NNc1ccc(C(N)=O)nn1 757402199 KCHVKKNKEXQGLC-QMMMGPOBSA-N 297.315 -0.540 50 20 CBGD C[C@H](NC(=S)NNC(=O)C1(NC(N)=O)CC1)C1CC1 767364870 VMOWSBAVNKFADH-LURJTMIESA-N 285.373 -0.519 50 20 CBGD CC(=O)Nc1ccc(C)c(C(=O)NNC(=O)CO)c1 781969741 SDLJMZNXHWTCNV-UHFFFAOYSA-N 265.269 -0.293 50 20 CBGD COC(=O)COCC(=O)NNC(=O)Cc1ccccc1C 807079056 CDFIOTFUHRQJEH-UHFFFAOYSA-N 294.307 -0.125 50 20 CBGD N#Cc1cc(O)cc(C(=O)NNC(=O)Cc2cc[nH]n2)c1 809667689 LKAZUMQGNHFMCS-UHFFFAOYSA-N 285.263 -0.009 50 20 CBGD CC(Cn1cccn1)=NNC(=O)[C@@H]1CCS(=O)(=O)C1 814783128 XIGIYDONTCCPRX-SNVBAGLBSA-N 284.341 -0.190 50 20 CBGD CN(C)C1(C(=O)NNC(=O)Cc2cccnc2)CC1 826123047 DJGJJYFUARWKNR-UHFFFAOYSA-N 262.313 -0.134 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@]23CCC[C@@H]2C3)N1 827015797 LDZHRHVBVUCWBT-DNSOKLHBSA-N 251.286 -0.397 50 20 CBGD O=C(NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1ncccn1 841350267 IIJIFOXZWYVBDT-IWSPIJDZSA-N 262.269 -0.337 50 20 CBGD O=C(CN1[C@H]2CCNC[C@H]1CC2)NNC(=O)C1CC1 843365124 DNAMTESUZFISDU-GHMZBOCLSA-N 266.345 -0.630 50 20 CBGD COc1coc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1=O 843657301 QDUNSDVVPDHCQQ-SFYZADRCSA-N 296.279 -0.166 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H]1CCCS1(=O)=O 847392189 OENMPSBUVYNTBY-QMMMGPOBSA-N 277.346 -0.306 50 20 CBGD COC(=O)c1cccc(NNC(=O)[C@H]2CC(=O)N2)c1F 854884923 SYLKZUFKTPGFNF-MRVPVSSYSA-N 281.243 -0.056 50 20 CBGD O=C(CN1CCOCC1)NNC(=O)OCC(F)(F)F 856021436 FLRGAALKLOEKGJ-UHFFFAOYSA-N 285.222 -0.362 50 20 CBGD CON(C)C(=O)[C@@H](C)NS(=O)(=O)CBr 859414456 YALZGQLCJCKPOJ-RXMQYKEDSA-N 289.151 -0.334 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2Cc3ccc(F)cc32)N1 862460079 ZLUZGOVVRJPAQH-GHMZBOCLSA-N 291.282 -0.109 50 20 CBGD O=C(NNC(=O)C1CCCC1)c1ccc(B(O)O)cc1 863869734 RSVDAICCSWBBKI-UHFFFAOYSA-N 276.101 -0.682 50 20 CBGD COC(C)(C)CCNC(=O)c1cccc(B(O)O)c1 871260961 CZNYSMYLDVOGNT-UHFFFAOYSA-N 265.118 -0.089 50 20 CBGD CC1=C(C)C(=O)N(CCC(=O)NN(C)C[C@@H](C)O)C1=O 910181064 BXJIWTYEHFTGBC-MRVPVSSYSA-N 283.328 -0.575 50 20 CBGD Cn1c(=O)nc(O)c2c(C(=O)NN)cc(C3CC3)nc21 914449570 YBLOWRVKRLMTQB-UHFFFAOYSA-N 275.268 -0.485 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 920858489 SLQWRVUMZCRMQZ-MRVPVSSYSA-N 270.333 -0.016 50 20 CBGD COC(=O)C(=O)NN=Cc1c(CO)cnc(C)c1O 1116195940 PTMMIHINPZAFBO-UHFFFAOYSA-N 267.241 -0.789 50 20 CBGD CCNC(=O)N(C)NC(=O)c1coc(C(N)=O)c1 1116599380 TYHODBQGCIXWQU-UHFFFAOYSA-N 254.246 -0.315 50 20 CBGD COc1ccc(NNC(=O)CN2C(=O)CNC2=O)nc1 1116690282 AKDNWJNKDOVNDI-UHFFFAOYSA-N 279.256 -0.915 50 20 CBGD Cc1ncc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)n1C 1118586163 MVYVCEZRXYKDOU-SECBINFHSA-N 284.341 -0.387 50 20 CBGD O=C(C[C@H]1COC(=O)C1)NNC(=O)c1cccc(F)n1 1118740153 IZSFBZHKPPSXGG-SSDOTTSWSA-N 281.243 -0.065 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCc2nccn2C)cn1 1123667754 IGJJEYXHLXDANE-UHFFFAOYSA-N 276.300 -0.453 50 20 CBGD Cc1cc(C)cc(NC(=O)C(=O)NNC(=O)CCO)c1 1254905314 NLJLDQUCIYXWNN-UHFFFAOYSA-N 279.296 -0.228 50 20 CBGD Cc1cc[nH]c1C(=O)NNC(=O)C(=O)NC1CC1 1256479305 RYWLWGNWAGPUAK-UHFFFAOYSA-N 250.258 -0.637 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(O)CCOCC1 1321331784 YQQWXGGSLWQJBT-QMMMGPOBSA-N 288.300 -0.983 50 20 CBGD Cn1cc(C(=O)NNC(=O)N[C@@H]2CCOC2)cn1 1322914340 HOFDOLAQBJVVCA-MRVPVSSYSA-N 253.262 -0.847 50 20 CBGD CCc1cnc(NC(=O)C(=O)NNC(=O)COC)s1 1324573563 BDLOYAFHSJMKTI-UHFFFAOYSA-N 286.313 -0.562 50 20 CBGD CN(C)N(C(=O)[C@@H]1CCC(=O)C1)[C@@H]1CCS(=O)(=O)C1 1326343038 NLOILOIQZCUMRT-NXEZZACHSA-N 288.369 -0.152 50 20 CBGD Cn1cc(C(=O)NNC(=O)N[C@@H]2CC23CCNCC3)cn1 1328250020 JIASVTNYGMHKIV-SNVBAGLBSA-N 292.343 -0.494 50 20 CBGD Cn1ccc(CC(=O)NNC(=O)Cc2ccncc2)n1 1328535199 GNWOEYFVDWZCMW-UHFFFAOYSA-N 273.296 -0.252 50 20 CBGD O=C(NNc1ncc(F)cn1)C1=NN2CCCN=C2N1 1330770299 BFFDCYAILMNXPD-UHFFFAOYSA-N 278.251 -0.963 50 20 CBGD O=C(CN1CCC(c2nc[nH]n2)CC1)NNC(=O)C1CC1 1332728374 LGDXBOSEPGQJJW-UHFFFAOYSA-N 292.343 -0.459 50 20 CBGD O=C(NNc1ncncc1F)[C@@H]1CCCS1(=O)=O 1332910094 XYSWVQSCHVKQQB-ZETCQYMHSA-N 274.277 -0.364 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H]2C=CCCC2)N1 1334906754 LQOSPXSWNGHPQH-BDAKNGLRSA-N 266.301 -0.296 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccn(C)n1 1349103397 MVXBGOHHJRXCJQ-IONNQARKSA-N 294.315 -0.910 50 20 CBGD C[C@]1(CNC(=O)CNCCN)C[C@H]1Br 1354356524 DOIZUKRHKVNWND-VXNVDRBHSA-N 264.167 -0.176 50 20 CBGD CCN(CCO)NC(=O)c1cc([C@H]2CCNC2)[nH]n1 1577725816 PVLFCQMGGZKZJP-VIFPVBQESA-N 267.333 -0.554 50 20 CBGD O=C(O)COCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 1595106924 CRSLRDFOJLJXDP-UHFFFAOYSA-N 297.223 -0.543 50 20 CBGD COCCC(C)(C)CNC(=O)NNC(=O)C(=O)O 1610253312 VVTDZFSOZKKCGE-UHFFFAOYSA-N 261.278 -0.536 50 20 CBGD CS(=O)(=O)c1ccc(OCCC(=O)NN)cc1 104355590 DRDCTBDPRTYQCG-UHFFFAOYSA-N 258.299 -0.151 50 20 CBGD O=C(CN1CCOC[C@H]1CO)NNC(=O)c1cccs1 168868669 MMHSHXNQBZBAHD-SECBINFHSA-N 299.352 -0.798 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@@H]1C1CC1)C(=O)N1CCCC1 175915368 DPCOCJJFXAYVSO-ZJUUUORDSA-N 265.313 -0.198 50 20 CBGD O=C(CO)NNC(=O)c1ccn(-c2cccc(F)c2)n1 180948717 ICSJYDONKYEGGQ-UHFFFAOYSA-N 278.243 -0.235 50 20 CBGD CCOC(=O)NCC(=O)NNc1cc(Cl)nc(N)n1 273521164 QMGKOVQZHQZMQS-UHFFFAOYSA-N 288.695 -0.099 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCn1cc(C(=O)OC)nn1 285994618 ZULDGDXMTOMOAY-CMDGGOBGSA-N 293.283 -0.375 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)[nH]n1 290607055 VWEWCRGKXGKYMB-ATZCPNFKSA-N 294.311 -0.469 50 20 CBGD CCO/C=C(\C#N)C(=O)NC[C@H](OC)C(=O)OC 293980174 KXZGOEQSCFGBTF-FLOXNTQESA-N 256.258 -0.265 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 490811638 GPACQNIEAFRJFI-FCZSHJHJSA-N 278.268 -0.807 50 20 CBGD COC(=O)NNC(=O)[C@H]1CCCCS1(=O)=O 495540387 NBLZXIAHWLJNHE-ZCFIWIBFSA-N 250.276 -0.659 50 20 CBGD COC1(C(=O)Nc2cccc(B(O)O)c2)CCOCC1 584914109 PPZDWFYPNJIPBG-UHFFFAOYSA-N 279.101 -0.500 50 20 CBGD N#CCCN(C(=O)c1cccc(B(O)O)c1)C1CC1 584933529 IPBDLNMKMRBGIN-UHFFFAOYSA-N 258.086 -0.115 50 20 CBGD C[C@]1(F)CCN(C(=O)c2cccc(B(O)O)c2)C1 584970340 WZZNXFMRRZABIK-LBPRGKRZSA-N 251.066 -0.060 50 20 CBGD C[C@@H](COCC1CC1)NC(=O)c1cccc(B(O)O)c1 585004295 CFOZFIVJLCREQZ-JTQLQIEISA-N 277.129 -0.089 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCO[C@@H]2C2CC2)o1 585032493 VQRLERSALHBEBE-ZYHUDNBSSA-N 251.091 -0.384 50 20 CBGD CC(C)[C@H](CO)CNCc1cccc(B(O)O)c1 585040093 FURFWSFPFDPDCS-LBPRGKRZSA-N 251.135 -0.280 50 20 CBGD OB(O)c1ccc(CN[C@H]2COc3ccccc3[C@H]2O)cc1 585041911 XHRBJSKKEXUIBC-GOEBONIOSA-N 299.135 -0.049 50 20 CBGD CC(C)(C)n1nnc(CNCc2ccc(B(O)O)cc2)n1 585046002 PGMFTKOZYBACNS-UHFFFAOYSA-N 289.148 -0.602 50 20 CBGD C[C@@H]1O[C@H](C)[C@@H](NCc2ccc(B(O)O)o2)[C@H]1C 585048941 HGYNKQNOFIAWFH-UOKLYIGXSA-N 253.107 -0.139 50 20 CBGD N#CCc1ccccc1S(=O)(=O)N1CC[C@H](B(O)O)C1 585056738 AIKSDCZJZDTSMY-NSHDSACASA-N 294.141 -0.010 50 20 CBGD O=S(=O)(NCB(O)O)c1c(F)c(F)cc(F)c1F 585059424 NFISMFOMFQNQCH-UHFFFAOYSA-N 286.999 -0.467 50 20 CBGD CC(C)(C)C(=O)Nc1nccnc1C(=O)NCB(O)O 585061555 VKUMHLPMTSRYCT-UHFFFAOYSA-N 280.093 -0.797 50 20 CBGD CC(C)CC(=O)NNC(=S)NCCS(C)(=O)=O 729156175 JMYUPCNOWHBLOV-UHFFFAOYSA-N 281.403 -0.428 50 20 CBGD CCCNC(=O)NNS(=O)(=O)c1c[nH]nc1C 732046553 ZXPHQTVJFZHOMM-UHFFFAOYSA-N 261.307 -0.379 50 20 CBGD CCCCNC(=O)NNC(=O)CSCC(=O)O 739333177 SDNCRWUTPDXGQU-UHFFFAOYSA-N 263.319 -0.065 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=O)c1cccn1C 754977582 PSUJHZUVBHPEMX-LLVKDONJSA-N 255.274 -0.817 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)Cc1cc[nH]n1 755267978 AQJXMXOWGSNRIX-NSHDSACASA-N 275.312 -0.803 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1[C@H]2CCC[C@H]12 758042860 BKXDIMHLLCSILJ-FXQIFTODSA-N 289.357 -0.882 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)c2ccccc2O)C1=O 776107177 TUXCGQNYWLAUQW-SECBINFHSA-N 277.280 -0.369 50 20 CBGD CCN(CC)C(=O)CCCC(=O)NNC(=O)CO 777781688 HYYHWWRUNWRTPH-UHFFFAOYSA-N 259.306 -0.835 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)n[nH]1 780649826 PAWOZMSTRRYRSR-SZEHBUNVSA-N 264.285 -0.096 50 20 CBGD CCNC(=O)CC(=O)NNc1nc(C)cc(OC)n1 780957042 VTRZBAAUPMHGHP-UHFFFAOYSA-N 267.289 -0.237 50 20 CBGD COc1cccc(C[C@H](O)C(=O)NNC(=O)N(C)C)c1 785408221 ISSCFYBZOPMXGL-NSHDSACASA-N 281.312 -0.099 50 20 CBGD COC(=O)NNC(=O)N=c1ccnc2n(C)[nH]cc1-2 791090933 USARMNIYINYVLW-UHFFFAOYSA-N 264.245 -0.266 50 20 CBGD CO[C@@H](C(=O)NNC(=O)N1CCOCC1)C1CC1 792107151 OZHIAIZMGDEBNW-SECBINFHSA-N 257.290 -0.516 50 20 CBGD COC(=O)C[C@@H]1CCC(=NNC(=O)C(N)=O)[C@@H]1C 794459932 NDRVITFMKVLJPG-RQJHMYQMSA-N 255.274 -0.447 50 20 CBGD CNC(=O)CSCC(=O)NNC(=O)c1cccs1 799308386 GWEVYZNVSDIYEC-UHFFFAOYSA-N 287.366 -0.012 50 20 CBGD COCCOCC(=O)NNc1ccc(-n2ccnc2)nn1 804956115 AIVHDUMHSJQGAL-UHFFFAOYSA-N 292.299 -0.232 50 20 CBGD CC(C)OCC(=O)NNC(=O)N1CCN(C)CC1 807378439 CXXMHYISVOAEHE-UHFFFAOYSA-N 258.322 -0.600 50 20 CBGD Cn1ncc(C=NNC(=O)CNC(=O)c2cccs2)n1 814826818 IRCMTECSIISPBC-UHFFFAOYSA-N 292.324 -0.243 50 20 CBGD CC(CN1C(=O)CCC1=O)=NNC(=O)Cc1cc[nH]n1 814955544 LYVDHBIGHRQCSG-UHFFFAOYSA-N 277.284 -0.407 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cnc(N(C)C)cn1 823940156 TWMBYOXKUMNULQ-MRVPVSSYSA-N 253.306 -0.500 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@@](O)(CC#N)C1 829991059 CJWPGWLJJZIPPA-RISCZKNCSA-N 296.371 -0.081 50 20 CBGD O=C(O)Cc1ccc(S(=O)(=O)NNC(=O)O)cc1 833267323 WSMQVFFELDSTAB-UHFFFAOYSA-N 274.254 -0.225 50 20 CBGD C[C@H](CC(N)=O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843973675 ZDBBRTSJITVERG-BWZBUEFSSA-N 257.290 -0.930 50 20 CBGD Cc1onc(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1C#N 843980552 USOPCRNOXMHIRB-CBAPKCEASA-N 292.295 -0.030 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CC[C@H]1C(N)=O 847285595 OVKPMBINKVARSL-RNFRBKRXSA-N 256.331 -0.821 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)C(C)(C)O 854388763 XGWITAHQARCXKJ-UHFFFAOYSA-N 262.306 -0.306 50 20 CBGD CNC(=S)N(C)NC(=O)CNc1ccc(C#N)cn1 854923257 OTHUBPXKKXZYNJ-UHFFFAOYSA-N 278.341 -0.168 50 20 CBGD C[C@@H](NC(=S)NNC(=O)CN1CCCNC1=O)C1CC1 855103924 VUPLEWQLQNCHCK-MRVPVSSYSA-N 299.400 -0.305 50 20 CBGD C[C@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 858282313 XDUYCRQVYOEEBO-APPZFPTMSA-N 268.317 -0.359 50 20 CBGD CN1C(=O)CN(CC(=O)NNc2ccccn2)C1=O 860627804 PTLZZNZSSBOSTG-UHFFFAOYSA-N 263.257 -0.581 50 20 CBGD CCc1nnc(C)cc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862461460 PIIJWBLMOVAKLJ-SNVBAGLBSA-N 291.311 -0.613 50 20 CBGD O=C(C=C1CCSCC1)NNC(=O)[C@@H]1CCC(=O)N1 862461772 RLRNMSOQSUIJEB-VIFPVBQESA-N 283.353 -0.134 50 20 CBGD O=C(NC[C@@H]1CCC=CO1)c1cccc(B(O)O)c1 863880077 MSEAPTGWYZZDOK-LBPRGKRZSA-N 261.086 -0.211 50 20 CBGD CC(C)(CCl)CS(=O)(=O)N1C[C@@H](CO)[C@@H](O)C1 867388207 JISDWPZLIXIMKZ-IUCAKERBSA-N 285.793 -0.134 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccc(N(C)C)nc1 869911126 WFOZQDYILPQBKL-UHFFFAOYSA-N 296.327 -0.428 50 20 CBGD COC(=O)[C@@H]1CC[C@H](NCc2cccc(B(O)O)c2)C1 896125467 JGWFZEHEVWSTIB-YPMHNXCESA-N 277.129 -0.202 50 20 CBGD CC/C=C(/C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 914879117 LGRZWKNWTCQZCQ-USYJTPIQSA-N 274.342 -0.075 50 20 CBGD CNC(=O)NNC(=O)c1cc(C)nc2cc(C)nn12 919879759 DTENJPJKRINORS-UHFFFAOYSA-N 262.273 -0.080 50 20 CBGD O=C(CCCN1C(=O)CCC1=O)NNC(=O)NC1CC1 920766452 TUZJBMNLHWCCGI-UHFFFAOYSA-N 282.300 -0.592 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H](C2OCCO2)C1 927989765 IITXPRFUACKRSU-LLVKDONJSA-N 291.112 -0.799 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CN2CC[C@H]2CO)cc1 934021487 HDYQDFSXXDUAQC-LBPRGKRZSA-N 277.324 -0.177 50 20 CBGD N#Cc1cccc(C=NNC(=O)[C@H]2CCC(=O)N2)n1 1118948877 HJMQLRNQMBCJMJ-SNVBAGLBSA-N 257.253 -0.318 50 20 CBGD C[S@@](=O)CCNC(=O)NNC(=O)c1ccccc1O 1322210333 LVWPHCQRIACVMP-LJQANCHMSA-N 285.325 -0.285 50 20 CBGD COC(=O)c1ccc(NC(=O)NNC(=O)CO)c(C)c1 1323818639 VAQKIQCBJYVDNG-UHFFFAOYSA-N 281.268 -0.073 50 20 CBGD CNC(=O)C(C)(C)CNC(=O)NNC(=O)c1cnn(C)c1 1324203610 HRPRKANGLLTVLR-UHFFFAOYSA-N 296.331 -0.864 50 20 CBGD CN(C)N(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCS(=O)(=O)C1 1326112465 ROFDEZSMMKALKY-SNVBAGLBSA-N 296.352 -0.008 50 20 CBGD COc1cncc(NC(=O)C(=O)NNC(=O)CC2CC2)n1 1326514313 FNJHINWLASAQAO-UHFFFAOYSA-N 293.283 -0.629 50 20 CBGD CS(=O)(=O)CC1(CC(=O)NNc2nc[nH]n2)CC1 1327873405 FPYVLOIAOXRDHH-UHFFFAOYSA-N 273.318 -0.537 50 20 CBGD C#CCN1CCC[C@@H](NCc2ccccc2B(O)O)C1 1332738418 HHKANRKHWKSKED-CQSZACIVSA-N 272.157 -0.446 50 20 CBGD O=C(CC1CCOCC1)NNC(=O)CN1CCCC1=O 1334261495 ZBJPDXRWVXNZAS-UHFFFAOYSA-N 283.328 -0.427 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CN1CCC(CO)CC1 1335999142 IRGIWZRGJBYJFQ-PWSUYJOCSA-N 299.371 -0.737 50 20 CBGD O=C(NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)C1CCC1 1337127764 SOYQZYVHJAWXKK-GARJFASQSA-N 268.313 -0.015 50 20 CBGD C[C@H](C(=O)NNC(=O)NCC1CC1)N1C(=O)CCC1=O 1338428783 JFMVRYSGUOLHKW-SSDOTTSWSA-N 282.300 -0.736 50 20 CBGD O=C(NNC(=O)c1cccnc1F)C(=O)N1CCCC1 1343689540 RLNRZWDPUPJRNP-UHFFFAOYSA-N 280.259 -0.396 50 20 CBGD Cn1c(N)nnc1SCC(=O)NNC(=O)C1CC1 1349824906 UALZVTRPCPZPBT-UHFFFAOYSA-N 270.318 -0.953 50 20 CBGD O=C(NCCC(F)F)NNC(=O)C(=O)N1CCCC1 1520037334 RJBQPOWRWHTFKV-UHFFFAOYSA-N 278.259 -0.406 50 20 CBGD NCC(=O)NNC(=O)c1cc(O)nc2c1CCCC2 1580210137 CMSHTRGYKYMCLZ-UHFFFAOYSA-N 264.285 -0.614 50 20 CBGD O=C(NNC(=O)[C@H]1CCN1)c1ccncc1Cl 1580735910 HOHRVPMFYVXCMP-MRVPVSSYSA-N 254.677 -0.142 50 20 CBGD C=CCNC(=S)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588664005 SJGAVRXIXFWSST-UHFFFAOYSA-N 292.328 -0.510 50 20 CBGD C[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)cn1)N(C)C 1591759395 DYLGQJMMUCZVPV-SSDOTTSWSA-N 276.304 -0.345 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC(C)(C)C(=O)O 1594643662 IAFLXSXMZJGRLX-JGVFFNPUSA-N 287.316 -0.147 50 20 CBGD CCN(CCO)NC(=O)c1ccnc(C(=O)O)c1 1596340701 KYWMNSKHUAQGIJ-UHFFFAOYSA-N 253.258 -0.261 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCN(CC2CCCC2)C1 1601552800 IPVMSYTZJIELKH-SNVBAGLBSA-N 298.343 -0.334 50 20 CBGD CN(NC(=O)c1cccc(F)c1-c1nn[nH]n1)C(N)=O 1604827012 SKVUFMRBWIYDQV-UHFFFAOYSA-N 279.235 -0.339 50 20 CBGD O=C(NNC(=O)[C@H]1CCCO1)c1cc(-c2nn[nH]n2)c[nH]1 1609557972 GPJGXNTWGGOOTK-MRVPVSSYSA-N 291.271 -0.865 50 20 CBGD CC(C)=CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 48952841 UUOLAFRHROWFQE-QMMMGPOBSA-N 275.330 -0.530 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H](C(C)C)N(C)C 110664417 YJYHBLBFHINHHG-JTQLQIEISA-N 274.365 -0.061 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)CCN1CCCC1=O 112703617 AWLWXUDNORUYDI-JTQLQIEISA-N 284.360 -0.514 50 20 CBGD CCN(CCNC(=O)NNC(=O)c1cnn(C)c1)C1CC1 117965498 LMUIDMLBKNGWGQ-UHFFFAOYSA-N 294.359 -0.152 50 20 CBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccccc1F 126478301 GKCIGVRAOHUCTD-UHFFFAOYSA-N 282.275 -0.527 50 20 CBGD N#C[C@@H]1CN(S(=O)(=O)CBr)CCO1 127538436 SZXADCLZEPUZDO-ZCFIWIBFSA-N 269.120 -0.107 50 20 CBGD O=S(=O)(CCCCCl)NCCOCCO 162567872 NTPPYTNIAXMRJY-UHFFFAOYSA-N 259.755 -0.066 50 20 CBGD O=C(COCc1ccccc1)NNC(=O)c1c[nH]nn1 170901471 GUELXNGBZBCFPI-UHFFFAOYSA-N 275.268 -0.218 50 20 CBGD CNC(=O)[C@H](C)CN(C)S(=O)(=O)CBr 227980713 MSGWVYOTESCSIC-ZCFIWIBFSA-N 287.179 -0.018 50 20 CBGD CCC1(C(=O)NNC(=O)C(=O)N2CCCC2)CC1 267255712 MJCWSULLVBOCEB-UHFFFAOYSA-N 253.302 -0.054 50 20 CBGD CN(NC(=O)Cn1ccc(C(F)(F)F)n1)C(N)=O 272140572 DMVIZMQOWQZART-UHFFFAOYSA-N 265.195 -0.056 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1cncc(OC)c1 282593878 LXQRZSHFLHVGAG-UHFFFAOYSA-N 288.329 -0.055 50 20 CBGD CNCCC(=O)NNc1nc2ccccc2c(=O)n1C 285668694 KTINZGWKVZRNPW-UHFFFAOYSA-N 275.312 -0.014 50 20 CBGD C[C@@H]1CC(=O)N[C@H](C(=O)NNc2ncncc2F)C1 294219396 YRFJZXSPXUUBOQ-XPUUQOCRSA-N 267.264 -0.027 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)CCn2cccn2)n1 298459813 ZBGLPRJYMDRXPC-UHFFFAOYSA-N 290.327 -0.066 50 20 CBGD O=C(Cn1cccn1)NNC(=O)NCC(F)(F)F 299231445 RFLFZCVISJSLSX-UHFFFAOYSA-N 265.195 -0.224 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CN(CC)CCO1 364702510 FPUXOIBGUXPHNX-VIFPVBQESA-N 258.322 -0.600 50 20 CBGD C[C@@H](CN1CCCCC1)NC(=O)c1cccc(B(O)O)c1 584930260 YOWYFVFOALZSAF-LBPRGKRZSA-N 290.172 -0.029 50 20 CBGD C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)[C@@H](C)CN1C 584970404 YRMVPCPYKSGTBY-QWRGUYRKSA-N 276.145 -0.469 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@](F)(CO)C1 584990190 RCXJDKZWGMWXFK-CYBMUJFWSA-N 281.092 -0.697 50 20 CBGD CC(C)CC[C@H](CO)NC(=O)c1cccc(B(O)O)c1 585010688 WWNVWQHVMZMDME-CYBMUJFWSA-N 279.145 -0.107 50 20 CBGD COCCN1CCC[C@H]1CNCc1ccc(B(O)O)o1 585020396 VJUKVQQUWGPOCE-NSHDSACASA-N 282.149 -0.840 50 20 CBGD CCN1CC[C@@H](NCc2ccc(B(O)O)cc2F)C1 585045887 JKCACXSJNAZGNT-GFCCVEGCSA-N 266.125 -0.311 50 20 CBGD CCCN1C[C@H](NCc2ccc(B(O)O)cc2F)CC1=O 585048322 OAOHIBPGTCGDLA-GFCCVEGCSA-N 294.135 -0.394 50 20 CBGD CC1(C)C[C@@]1(C(=O)O)C(=O)N1CC[C@@H](B(O)O)C1 585068075 XPVDIJCQZMHNKB-HQJQHLMTSA-N 255.079 -0.437 50 20 CBGD COCCCCC(=O)NNC(=O)c1cnn(C)c1 735446344 QOCXXVJJVDFFGV-UHFFFAOYSA-N 254.290 -0.002 50 20 CBGD O=C(O)c1cccc(C(=O)NNC(=O)c2cnn[nH]2)c1 740215443 SEPRVODKGXSICG-UHFFFAOYSA-N 275.224 -0.422 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)CC(C)C)C1 746111662 BYGZZRSBGFMPSC-JTQLQIEISA-N 257.334 -0.099 50 20 CBGD CN(C)CCNC(=S)NNC(=O)Cc1ccncc1 747670367 DWZYVOYUNUVOKN-UHFFFAOYSA-N 281.385 -0.319 50 20 CBGD C[C@@H](CC(=O)NNC(=O)CO)NC(=O)C1CCCCC1 753445041 DKQWNWSZWHGPOM-VIFPVBQESA-N 285.344 -0.399 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCc2nn[nH]c2C1 759520860 LQGZKLKLUXAREI-UHFFFAOYSA-N 280.332 -0.644 50 20 CBGD COc1cccc(C(=O)NNC(=O)C(C)(C)O)n1 768244643 MZRMUZXLTLDWJY-UHFFFAOYSA-N 253.258 -0.378 50 20 CBGD CO[C@H](C(=O)NNC(=O)c1cnn(C)c1)C(C)C 769948966 VVFAXSSQPUMXFY-VIFPVBQESA-N 254.290 -0.148 50 20 CBGD C[C@@H](CC(=O)NNC(=O)CO)NC(=O)C1CCCC1 777782654 IYWLMANKZOCISK-QMMMGPOBSA-N 271.317 -0.789 50 20 CBGD COCC(=O)NNC(=O)Nc1ccn([C@H](C)COC)n1 779936153 PAIXMIZHLVJSJC-MRVPVSSYSA-N 285.304 -0.110 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@](C)(C(N)=O)C1 796580800 LPLGHWNIHIQYFK-HZMBPMFUSA-N 298.387 -0.234 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCC(C)=O 800094988 UTGOHPUUDOYOOR-QMMMGPOBSA-N 258.274 -0.155 50 20 CBGD O=C(NN=Cc1c[nH]c(C(=O)O)c1)C(=O)N1CCCC1 814823978 DAPPYZJJERXDQO-UHFFFAOYSA-N 278.268 -0.215 50 20 CBGD O=C(NN=Cc1cc(CO)ccc1O)C(=O)N1CCCC1 814823992 DIAZGSIRMCFZDS-UHFFFAOYSA-N 291.307 -0.043 50 20 CBGD CN(NC(=O)[C@]1(c2ccccc2)CCC(=O)NC1)C(N)=O 816958186 ICKPBXKSWAZCMQ-CQSZACIVSA-N 290.323 -0.124 50 20 CBGD CN(NC(=O)Cn1nnc2c1CCCC2)C(N)=O 816958586 WNZORPSTOIJVOP-UHFFFAOYSA-N 252.278 -0.801 50 20 CBGD CCN(CCO)NC(=O)c1c(C)nn2cccnc12 823852848 QOYMRWPRHGETKL-UHFFFAOYSA-N 263.301 -0.003 50 20 CBGD C[C@@H](CO)N(C)NC(=O)COCc1cccnc1 823922201 JCCQYRBPYFCWBL-JTQLQIEISA-N 253.302 -0.058 50 20 CBGD C[C@@H](Oc1ccccn1)C(=O)NNC(=O)N1CCOCC1 825505855 YBJJEYPQHBFZCT-SNVBAGLBSA-N 294.311 -0.078 50 20 CBGD NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 825639135 KWPYLOPELPBDRM-NXEZZACHSA-N 253.302 -0.583 50 20 CBGD CC(=O)NNC(=O)Nc1ccnc(OCCO)c1 825864583 VMNXLQAZIGDNOB-UHFFFAOYSA-N 254.246 -0.375 50 20 CBGD COC(=O)NNC(=O)Nc1ccn(CC(=O)O)n1 831206459 HPDRLNQMPMSNBW-UHFFFAOYSA-N 257.206 -0.640 50 20 CBGD C=C[C@@](C)(O)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 831795184 ZCEUYGMQSQVZPR-GFCCVEGCSA-N 287.316 -0.405 50 20 CBGD CC(C)N(C)CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843971598 CTNVVFOCFRQHHO-VHSXEESVSA-N 257.334 -0.101 50 20 CBGD CO[C@@]1(C)C[C@H]1NC(=O)NNC(=O)c1ncccn1 852385419 PLOKKAGHQUOYKH-HQJQHLMTSA-N 265.273 -0.402 50 20 CBGD C[C@@H](NC(=S)NNC(=O)CCS(C)(=O)=O)C1CC1 855102347 JDWWFUJHSSEEIK-SSDOTTSWSA-N 293.414 -0.285 50 20 CBGD COc1nccnc1NNC(=O)[C@H]1CCc2nncn2C1 857539810 GHTBBSHSUMHLRJ-QMMMGPOBSA-N 289.299 -0.218 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CS1 858538748 PFJQJOTYJKXUHP-PRJMDXOYSA-N 286.357 -0.511 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)Cn1nccc1C 859265922 BOMJVHVKWIAWPE-UHFFFAOYSA-N 262.273 -0.316 50 20 CBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cn(C)c(C)n1 863153435 UPCPPBZVJOPTJA-VIFPVBQESA-N 263.301 -0.153 50 20 CBGD O=C(NC[C@H]1CCC=CO1)c1ccc(B(O)O)cc1 863879869 FSQHQCFKXALHBF-GFCCVEGCSA-N 261.086 -0.211 50 20 CBGD CC[C@H](NC(C)=O)C(=O)NNC(=O)c1cccn1C 864594645 YAKIDVHAOWUSHF-VIFPVBQESA-N 266.301 -0.299 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@]1(C)CCNC1=O 873835601 OPUQIMKOBLFLPJ-GFCCVEGCSA-N 264.285 -0.688 50 20 CBGD C=C(CBr)CN1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 878974077 UKPHWMUVXACZNJ-YUMQZZPRSA-N 290.161 -0.544 50 20 CBGD C#CCCCC(=O)NNS(=O)(=O)C1(COC)CC1 901964459 KMKDMLNUGZZDDQ-UHFFFAOYSA-N 274.342 -0.081 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21 906570748 IFZJQANIDAZIGS-JIMOISOXSA-N 273.292 -0.003 50 20 CBGD C/C(=C(\F)C(=O)NNC(=O)CS(C)(=O)=O)C1CC1 913240773 FMQSMHDZOMBTOD-RMKNXTFCSA-N 278.305 -0.168 50 20 CBGD O=C(CNC(=O)C1CC1)NNC(=O)c1ccccn1 914857510 ZYPAXLUHOUUQCL-UHFFFAOYSA-N 262.269 -0.631 50 20 CBGD CN(NC(=O)c1ccccc1NS(C)(=O)=O)C(N)=O 1116449345 QJSFUWUMHZJYIW-UHFFFAOYSA-N 286.313 -0.287 50 20 CBGD C[C@@H](O)C(=O)NNC(=O)Cc1cn2ccccc2n1 1116742503 UMNAAKVTHFGDAQ-MRVPVSSYSA-N 262.269 -0.595 50 20 CBGD C=CCNC(=S)NNC(=O)c1cnc(C(=O)OC)cn1 1116896775 SWXURXRSOJTUBA-UHFFFAOYSA-N 295.324 -0.442 50 20 CBGD O=C(/C=C\c1ccc[nH]1)NNC(=O)[C@@H]1CCC(=O)N1 1118884619 LBYFWSYLYCRQAE-LVCFMKKZSA-N 262.269 -0.546 50 20 CBGD OB(O)c1cccc(-c2noc(CO[C@H]3CCOC3)n2)c1 1118996106 KELHDQWQYOUCHX-NSHDSACASA-N 290.084 -0.278 50 20 CBGD CCc1cc(C(=O)N2CC[C@H](B(O)O)C2)n(C)n1 1119606841 MJJMVWRXNJKONV-QMMMGPOBSA-N 251.095 -0.329 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1c(C)nn(C)c1C 1252448064 NZXBQHRVWAOPAP-UHFFFAOYSA-N 283.288 -0.960 50 20 CBGD COCCOCC(=O)NNC(=O)CCc1cnn(C)c1 1261881096 WMTSIKYSCDBQGU-UHFFFAOYSA-N 284.316 -0.837 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)[C@@H]2CCCCO2)C1 1262626400 ODCIZCAPJREVSM-VHSXEESVSA-N 271.317 -0.967 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)C[C@@H]1CCCOC1 1321047093 OSYXOPVLBVZBCC-VIFPVBQESA-N 266.301 -0.084 50 20 CBGD C#CCn1ccnc1C=NNC(=O)C(=O)NC(C)C 1324051628 SLBFPMIINMAYCI-UHFFFAOYSA-N 261.285 -0.509 50 20 CBGD C[C@H](C[C@H]1CCOC1)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 1329172073 CHEMMLWDJQJGTR-OPRDCNLKSA-N 298.343 -0.590 50 20 CBGD COc1cc(C(=O)NNC(=O)C(=O)NC2CC2)sn1 1329490309 CDBRKSQGGPJOFZ-UHFFFAOYSA-N 284.297 -0.809 50 20 CBGD CC(C)NC(=S)NNC(=O)/C=C/CN1CCOCC1 1329682061 MKGQHTYWUTTYRX-ONEGZZNKSA-N 286.401 -0.222 50 20 CBGD C[C@H](NNC(=O)CN1CCC(=O)NC1=O)C(F)(F)F 1331671255 RKIPTDMBXLBBJK-YFKPBYRVSA-N 282.222 -0.500 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1CC12CCOCC2 1332195927 LNDWYOQPVXODMP-SNVBAGLBSA-N 295.339 -0.427 50 20 CBGD Cn1nc(C2CC2)nc1CC(=O)NNC(=O)C(C)(C)O 1332483277 CSAOYRRWHZGWGV-UHFFFAOYSA-N 281.316 -0.847 50 20 CBGD COC(=O)C[C@@H](O)CNC(=O)/C(C#N)=C\c1cnn(C)c1 1335347797 JAHKLWBJDQGYQQ-LBQOUHFTSA-N 292.295 -0.633 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C(=O)NC1CC1)[C@@H]1CCCOC1 1337465683 FTSKSSADKJRCNG-RKDXNWHRSA-N 298.343 -0.590 50 20 CBGD C[C@H](C[S@@](C)=O)NC(=O)NNC(=O)c1ccc[nH]1 1337716662 REJXDBDSLQJUTF-LWESTGQBSA-N 272.330 -0.274 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1nc(C)c(C)s1 1344075289 KLCSVJPJZGHMJA-UHFFFAOYSA-N 286.313 -0.508 50 20 CBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNc1ncncc1F 1348675811 ZSDKUGZSUDQFDL-SCZZXKLOSA-N 280.307 -0.553 50 20 CBGD NC(=O)C(=O)NNC(=O)c1ccc2ccccc2n1 1348833860 KEGQUCNTIRACOI-UHFFFAOYSA-N 258.237 -0.519 50 20 CBGD COC[C@@H](O)CNC(=O)NNC(=O)c1cccc(F)n1 1357146032 WLVKFDPRAOKCHP-ZETCQYMHSA-N 286.263 -0.828 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCCCN2)CC1 1573884363 DKIHCNQKJFZNFB-SNVBAGLBSA-N 269.349 -0.883 50 20 CBGD CS(=O)(=O)SCCNC(=O)[C@H]1C[C@@H](N)C1 1574059129 FAFSUGJDPCTNIO-KNVOCYPGSA-N 252.361 -0.467 50 20 CBGD Cc1cnc(C(=O)NNC(=O)[C@@H]2CCN2)c(O)c1 1579819959 WFVGXYZMYDUHEA-ZETCQYMHSA-N 250.258 -0.781 50 20 CBGD NCCCCCC(=O)NNC(=O)Cn1cccn1 1580292615 GNCPNRCSSSQBNX-UHFFFAOYSA-N 253.306 -0.450 50 20 CBGD CC(C)(CC(=O)O)NC(=O)c1cc(B(O)O)ccc1F 1588757654 CZBOBKCCPLOLAP-UHFFFAOYSA-N 283.064 -0.511 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)C(=O)O 1588843174 CTKJREUOVJWICL-JGVFFNPUSA-N 288.300 -0.168 50 20 CBGD O=C(NNC(=O)c1ccc[nH]1)c1cccc(-c2nn[nH]n2)n1 1593158115 FVQMDBUPOVGPPW-UHFFFAOYSA-N 298.266 -0.335 50 20 CBGD Cn1nncc1NNC(=O)CC[C@@H]1C[C@H](C(=O)O)CO1 1601044749 MXYCMPIWKOUIHP-JGVFFNPUSA-N 283.288 -0.472 50 20 CBGD O=C(CCc1nn[nH]n1)NNc1ccccc1C(=O)O 1601296005 PMYMFENFRFQIHG-UHFFFAOYSA-N 276.256 -0.026 50 20 CBGD COC(=O)[C@H](CO)NS(=O)(=O)CCCCl 36881230 HYJYICLLLUISHB-LURJTMIESA-N 259.711 -0.931 50 20 CBGD CCNC(=O)NNC(=O)c1cccc(C(N)=O)c1 49165054 KULSVGQNDBQDHB-UHFFFAOYSA-N 250.258 -0.251 50 20 CBGD Cc1cc(=O)n(CC(=O)NNC(=O)C2CC2)cc1[N+](=O)[O-] 128405245 MRBIJBSJDAQNSE-UHFFFAOYSA-N 294.267 -0.378 50 20 CBGD CCOC(=O)NCC(=O)NNC(=O)CNc1ccccc1 264325148 QYMFWIPHDRLMIY-UHFFFAOYSA-N 294.311 -0.008 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)n1 279832229 QWAHLXHRWDRCJY-UWVGGRQHSA-N 292.295 -0.816 50 20 CBGD CCCc1nnc(SCC(=O)NNC(=O)C2CC2)n1N 288489792 SNHJGPQACSPOBB-UHFFFAOYSA-N 298.372 -0.406 50 20 CBGD CCCc1nnc(S)n1CC(=O)NNc1nnc[nH]1 293857043 IAZXUTQRASPUMP-UHFFFAOYSA-N 282.333 -0.219 50 20 CBGD CCO[C@H]1C[C@H]1C(=O)NNC(=O)C(=O)NC(C)C 298668495 SEQAYAKRRVTSAG-SFYZADRCSA-N 257.290 -0.917 50 20 CBGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NNC(=O)CO 495506784 AUFYAESTWKDQQF-SSDOTTSWSA-N 273.289 -0.865 50 20 CBGD CCOC(=O)N[C@@H](C(=O)NNC(=O)C(C)(C)O)C(C)C 496144803 AZMWWZJUUZDOPE-MRVPVSSYSA-N 289.332 -0.325 50 20 CBGD CCOC(=O)NNC(=O)[C@@H]1CCCS1(=O)=O 496275283 NKDXJCXVYGAXIS-LURJTMIESA-N 250.276 -0.659 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)CCS1 584942115 IBDKFYXSVNADLV-SECBINFHSA-N 265.143 -0.056 50 20 CBGD COC[C@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584949103 GHDMCTBLEREXFC-VIFPVBQESA-N 281.092 -0.386 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CN1C1CC1 584957666 KLOJVYMMYLGRAY-ZWNOBZJWSA-N 288.156 -0.279 50 20 CBGD CS[C@@H]1CC[C@@H]1NC(=O)c1ccc(B(O)O)cc1 584959950 MMZKKGZDRKAZEK-WDEREUQCSA-N 265.143 -0.010 50 20 CBGD Cc1nc([C@@H](C)NC(=O)c2ccc(B(O)O)c(F)c2)no1 584963897 DYWZRLRPYDOTFX-ZCFIWIBFSA-N 293.063 -0.312 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@](O)(C2CC2)C1 584982587 IPGYBZLEFLSZAP-CQSZACIVSA-N 275.113 -0.647 50 20 CBGD CC(C)[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CCN1 585010567 MVUMFWLCKSVXPI-CYBMUJFWSA-N 294.135 -0.425 50 20 CBGD CCN1CCC(CNCc2ccc(B(O)O)o2)CC1 585022342 MNVIYHISMLDRBJ-UHFFFAOYSA-N 266.150 -0.219 50 20 CBGD CC[C@@H](C[C@@H](C)CO)NCc1ccc(B(O)O)o1 585027689 XVRFODNEEWIFTE-ZJUUUORDSA-N 255.123 -0.154 50 20 CBGD CCn1nncc1CNCc1ccc(B(O)O)cc1F 585050289 WERLYKBQQAZNJB-UHFFFAOYSA-N 278.096 -0.593 50 20 CBGD O=S(=O)(NCB(O)O)c1c[nH]c2ccccc12 585057489 VIALMWTVZAOUMW-UHFFFAOYSA-N 254.076 -0.542 50 20 CBGD O=C(NNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1cnn[nH]1 729457665 SZIFONMIVVYOND-UHFFFAOYSA-N 265.189 -0.884 50 20 CBGD Cn1nnnc1SCCC(=O)NNC(=O)C1CCC1 732142413 ZOBPYPSIWFOKPG-UHFFFAOYSA-N 284.345 -0.360 50 20 CBGD COCCS(=O)(=O)NNC(=O)Cc1cccnc1 737756887 JLJKVNVMEKCLRM-UHFFFAOYSA-N 273.314 -0.779 50 20 CBGD Cc1nc(-c2ccc(C(=O)NNC(=O)CO)cc2)n[nH]1 753442338 FEYDLVHDIZMFCX-UHFFFAOYSA-N 275.268 -0.467 50 20 CBGD COc1ccc(OC)c(NC(=O)NNC(=O)CO)c1 755388587 ACNCGVKSCSZFHC-UHFFFAOYSA-N 269.257 -0.151 50 20 CBGD O=C(NNC(=O)C1SCCS1)C(=O)N1CCCC1 761149906 MHPYFXWRNNRIHN-UHFFFAOYSA-N 289.382 -0.438 50 20 CBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)C(C)(C)O)CCC1=O 768240969 HKVJNFQZNSMMRY-SFYZADRCSA-N 256.302 -0.090 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H]1CCC(=O)N1 770245084 CSUDLOGGYCPSCQ-LURJTMIESA-N 276.387 -0.877 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1CCCCO1 772222734 VHJNGBNVUMRNGD-SECBINFHSA-N 259.306 -0.078 50 20 CBGD COc1cccc(CO[C@H](C)C(=O)NNC(=O)CO)c1 777781702 BKQLLSBPRHUIFC-SECBINFHSA-N 282.296 -0.260 50 20 CBGD O=C(CO)NNC(=O)CSCc1cccnc1 777781773 FZMKGPBXAHLLQQ-UHFFFAOYSA-N 255.299 -0.546 50 20 CBGD C[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)[C@H]1CO 785515154 MQQNQWCDCUKKJA-SCZZXKLOSA-N 255.318 -0.754 50 20 CBGD C[C@@H](C(=O)NNC(=O)C1CC1)[C@@H](C)S(C)(=O)=O 788262020 ACGVMISOKKQPGM-RNFRBKRXSA-N 262.331 -0.387 50 20 CBGD Cc1cccc(C(=O)NNC(=O)Nc2cnnn2C)n1 809903280 GEEXEDHBNQVTSL-UHFFFAOYSA-N 275.272 -0.015 50 20 CBGD Cn1cnc(C(=O)NNC(=O)Cc2ccccc2F)n1 810372571 GKTMKFWBPUYTJE-UHFFFAOYSA-N 277.259 -0.042 50 20 CBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NN(C)[C@H](C)CO 823929481 ZHHOXVODKRZKDR-RISCZKNCSA-N 297.355 -0.748 50 20 CBGD Cc1cc(NNC(=O)[C@H]2CN3CCCN2CC3)nc(N)n1 828371311 HZRXEISVCDMHMX-SNVBAGLBSA-N 291.359 -0.800 50 20 CBGD COC(=O)[C@@H]1CCN(CC(=O)NNC(=O)C(C)C)[C@H]1C 829146242 JBNFHBSDZBCYCI-VHSXEESVSA-N 285.344 -0.327 50 20 CBGD Cc1[nH]nc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1[N+](=O)[O-] 843976760 YULWXLBXZRFGLL-RNFRBKRXSA-N 297.271 -0.188 50 20 CBGD CN(C)c1nc(N)nc(C(=O)NNC(=O)CC2CC2)n1 846653440 PUEOHSOLXVMDTP-UHFFFAOYSA-N 279.304 -0.919 50 20 CBGD CC1(C)CNC(=O)[C@@H]1NS(=O)(=O)CBr 851818079 OOKLORKUJGSIAS-YFKPBYRVSA-N 285.163 -0.217 50 20 CBGD CN1CCN(C(=O)NNC(=O)/C=C\C2CCOCC2)CC1 854378977 KAHWKIGAJMKUIM-IHWYPQMZSA-N 296.371 -0.043 50 20 CBGD CNC(=O)NCCC(=O)NNC(=S)N[C@H](C)C1CC1 855097084 JAJOTKOIAQCLNT-SSDOTTSWSA-N 287.389 -0.401 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)OCC(F)(F)F 856022414 BZUQVLZTMDXQDN-UHFFFAOYSA-N 271.195 -0.168 50 20 CBGD CON(C)C(=O)[C@H](C)NC(=O)NNc1ncncc1F 858974445 ZKMNRORLFBJCLQ-LURJTMIESA-N 286.267 -0.350 50 20 CBGD O=C(NN=C1CCCS(=O)(=O)C1)c1cn[nH]c1 863154642 HNLWISKTJNQSLN-UHFFFAOYSA-N 256.287 -0.296 50 20 CBGD CN(C)CC(=O)NNC(=O)c1nn(C)c2ccccc12 863865427 RWKKGPNXTFCJNE-UHFFFAOYSA-N 275.312 -0.104 50 20 CBGD Cc1cocc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 863865454 DVBYMDUVCBBLOS-ZETCQYMHSA-N 289.313 -0.713 50 20 CBGD CCOC(=O)[C@@H](CC(=O)NN(C)C[C@H](C)O)C(C)=O 910159147 ZWGUWGRMGLRQHB-WPRPVWTQSA-N 274.317 -0.511 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1nn(C)c(=O)c2ccccc12 910182143 GBKCGUALXGFEQH-VIFPVBQESA-N 290.323 -0.109 50 20 CBGD CN(C)c1nccc(NNC(=O)c2ncn(C)n2)n1 1117635508 CMMBMKJDULJFCI-UHFFFAOYSA-N 262.277 -0.572 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccoc1CC(N)=O 1118280298 UHNZOMUVKYWBKT-YUMQZZPRSA-N 295.295 -0.507 50 20 CBGD O=C(NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)C1CC1 1120574140 KPTXBSIIBDTAQX-LPEHRKFASA-N 254.286 -0.405 50 20 CBGD COCCOc1ccccc1NC(=O)C(=O)NNC(C)=O 1254888534 HPSAMXOAZGBAFT-UHFFFAOYSA-N 295.295 -0.182 50 20 CBGD CN1CCCC[C@@H]1CNC(=O)NNC(=O)c1cnn(C)c1 1263241526 MRCYQGIJMIMFRZ-LLVKDONJSA-N 294.359 -0.152 50 20 CBGD C[C@H](NC(=O)NNc1cccnn1)[C@@H]1CN(C)CCN1C 1263779057 XDKZPWQRWKRECU-QWRGUYRKSA-N 293.375 -0.263 50 20 CBGD CC(C)NC(=S)NNC(=O)CCN1C(=O)CCC1=O 1317703396 KVCMXCOJGLGXFB-UHFFFAOYSA-N 286.357 -0.571 50 20 CBGD COCC(=O)NCCC(=O)NNc1nc(C)cc(OC)n1 1319001807 NRGPXKOLBJBUFC-UHFFFAOYSA-N 297.315 -0.611 50 20 CBGD O=C(CN1C(=O)CNC1=O)NNc1ncccc1F 1323988836 AQXJFCVSZSCEFD-UHFFFAOYSA-N 267.220 -0.784 50 20 CBGD Nc1cnnc(NNC(=O)[C@H]2COCCO2)c1Cl 1324009862 ZQNAOCOUTWMESN-ZCFIWIBFSA-N 273.680 -0.429 50 20 CBGD O=C(NNS(=O)(=O)C[C@@H]1CCCOC1)c1cc[nH]n1 1327385513 CVCUYOOSXJDPHK-MRVPVSSYSA-N 288.329 -0.600 50 20 CBGD Cn1nncc1NNC(=O)[C@@H]1CCc2n[nH]cc2C1 1328637102 OHYNBSCDJWLICM-SSDOTTSWSA-N 261.289 -0.214 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@H]1CCCS1(=O)=O 1329884764 QYQJYZAMYWEHBI-SSDOTTSWSA-N 263.319 -0.698 50 20 CBGD CC(C)C(=O)NNC(=O)NCCOCCS(C)(=O)=O 1330011517 BDBOXRGHWHOPDO-UHFFFAOYSA-N 295.361 -0.966 50 20 CBGD Cc1conc1NC(=O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1332156939 LDJKYSPGNPTCAU-HTQZYQBOSA-N 296.283 -0.506 50 20 CBGD O=C(NNc1ncc(F)cn1)[C@H]1CCCS1(=O)=O 1332889393 NADPMHDSQPEMMO-SSDOTTSWSA-N 274.277 -0.364 50 20 CBGD COCC(=O)NCCC(=O)NNC(=S)NC(C)(C)C 1333994832 RVFGSGBNYIYOHW-UHFFFAOYSA-N 290.389 -0.567 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NOCC(F)(F)F)N1 1334905533 BROVXQFDMPXLJS-SCSAIBSYSA-N 284.194 -0.911 50 20 CBGD C[C@@H](C(=O)NNC(=O)NC1CC1)[C@H]1CCC(=O)N1 1334938439 BDTDVFCNPVSACR-HTRCEHHLSA-N 254.290 -0.606 50 20 CBGD CC(CCCCO)=NNC(=O)CS(C)(=O)=O 1335347330 ONLNOVLWCLCEIO-UHFFFAOYSA-N 250.320 -0.314 50 20 CBGD O=C(CCCc1cccnc1)NNC(=O)[C@H]1CCC(=O)N1 1335420342 XJLGLLUMNCNASX-LLVKDONJSA-N 290.323 -0.170 50 20 CBGD O=C(NNC(=O)c1coc(C2CCC2)n1)C(=O)NC1CC1 1339174541 MUNWPFIQEZGMET-UHFFFAOYSA-N 292.295 -0.018 50 20 CBGD COCCCNC(=O)NNC(=O)c1ncc(OC)cn1 1347647939 POAOVEIAWDTFOO-UHFFFAOYSA-N 283.288 -0.534 50 20 CBGD O=C1CCC(=NNC(=O)[C@H]2CCC(=O)N2)CCN1 1348412825 ZCARYMNDXLNHTA-MRVPVSSYSA-N 252.274 -0.963 50 20 CBGD CC(=O)NCC(C)(C)C(=O)N1CC[C@H](B(O)O)C1 1348490294 OWROXGYTPOIVKF-VIFPVBQESA-N 256.111 -0.776 50 20 CBGD Cn1cc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c(O)n1 1549320730 NNOPKOFACODNJY-QWRGUYRKSA-N 293.327 -0.561 50 20 CBGD CO[C@H]1CN[C@](C)(C(=O)NNC(=O)c2cccn2C)C1 1573960218 HJEITUJUFBHIDX-RNCFNFMXSA-N 280.328 -0.447 50 20 CBGD C[C@@H]1CNC[C@H]1CCNCc1ccc(B(O)O)cc1 1579453861 OMFDOVNOVRDXAL-DGCLKSJQSA-N 262.162 -0.298 50 20 CBGD CCO/C=C(/C#N)C(=O)NC1(C(=O)O)CC(CO)C1 1596861650 FIQAQNPPAVGXMT-CLFYSBASSA-N 268.269 -0.228 50 20 CBGD O=C(O)COCC(=O)NNc1nc2ccccn2n1 1602078323 XVKQFBYLIZCPRF-UHFFFAOYSA-N 265.229 -0.726 50 20 CBGD CN(C)C(=O)NNC(=O)C1(CC(=O)O)CCOCC1 1604045742 MWMDWGXWCUCNOG-UHFFFAOYSA-N 273.289 -0.440 50 20 CBGD O=C1N[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CO1 1607053560 YIAVDNJMMYUVRA-MRVPVSSYSA-N 289.255 -0.582 50 20 CBGD O=C(O)c1ccc(NNC(=O)C2(O)COC2)cc1F 1608903994 CPMDSYXUDXWGDE-UHFFFAOYSA-N 270.216 -0.272 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)/C=C/c1cnn(C)c1 47831462 HHGSRLRGYWNVRW-SNAWJCMRSA-N 279.300 -0.895 50 20 CBGD CCNC(=O)NNC(=O)Cn1cc([N+](=O)[O-])cn1 49165115 DAHMQYNRRUUXGX-UHFFFAOYSA-N 256.222 -0.858 50 20 CBGD O=C(CCn1cc([N+](=O)[O-])cn1)NNC(=O)C1CC1 63491996 HOPUEDDBHWCBCH-UHFFFAOYSA-N 267.245 -0.261 50 20 CBGD CCNC(=O)NNC(=O)CN1C(=O)NC2(CCCC2)C1=O 65191102 CHBUWXFBGWDTMU-UHFFFAOYSA-N 297.315 -0.799 50 20 CBGD C[C@@H]1C(=O)NCCN1S(=O)(=O)CCCCl 82476406 AIIVJSJIMWYSQC-SSDOTTSWSA-N 254.739 -0.235 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCCNC(=O)C1CC1 109858551 RHUOGATYXWFGEI-UHFFFAOYSA-N 293.327 -0.214 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CN2CC[C@H](O)C2)c1 152228478 FAYVUKJEUZTSMZ-LBPRGKRZSA-N 277.324 -0.177 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)c2ccc(C#N)cc2)C1 191798769 GZSAHXNQWMWFPW-UHFFFAOYSA-N 286.291 -0.202 50 20 CBGD CCc1nn(C)c(CC)c1CC(=O)NNC(=O)CN(C)C 192272949 CVNCODYIZHPDCC-UHFFFAOYSA-N 295.387 -0.204 50 20 CBGD CCN(CC)S(=O)(=O)NNC(=O)c1cnn(C)c1 265550939 JPPMXAPMQAJHGJ-UHFFFAOYSA-N 275.334 -0.759 50 20 CBGD COC(=O)c1cc(S(=O)(=O)NNC(C)=O)oc1C 274712208 AFYLRZINQDCGTI-UHFFFAOYSA-N 276.270 -0.296 50 20 CBGD CC(C)(O)C(=O)NNC(=O)C#Cc1ccc2c(c1)OCO2 276180584 CIZIKHATOBMTKN-UHFFFAOYSA-N 290.275 -0.315 50 20 CBGD O=C(NNC(=O)C(=O)NCC1CC1)NC1CCCC1 276523981 JXJBMFNWUDEUEU-UHFFFAOYSA-N 268.317 -0.214 50 20 CBGD O=C(NC[C@H]1CCCO1)NNC(=O)C(=O)N1CCCC1 299463596 AOIWUTXNJMMBDV-SECBINFHSA-N 284.316 -0.882 50 20 CBGD COC[C@@H](NS(=O)(=O)CBr)C(=O)O 379417047 TTYQUSXKHUIUTM-SCSAIBSYSA-N 276.108 -0.642 50 20 CBGD CCOC(=O)N[C@H](C(=O)NNC(=O)C(C)(C)O)C(C)C 496144804 AZMWWZJUUZDOPE-QMMMGPOBSA-N 289.332 -0.325 50 20 CBGD C[C@H]1CCCN(CCNC(=O)c2cccc(B(O)O)c2)C1 584929688 NWSYZJWBHRSVJR-LBPRGKRZSA-N 290.172 -0.172 50 20 CBGD N#C[C@@H]1CSCCN1C(=O)c1ccc(B(O)O)cc1 584969974 JHIRJONWOVASKY-LLVKDONJSA-N 276.126 -0.552 50 20 CBGD C[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1CO 584978883 FKWROVRMTAJSDP-BXKDBHETSA-N 263.102 -0.791 50 20 CBGD CO[C@@]1(C)CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584997671 GQRLEOZLKWBKKO-ZDUSSCGKSA-N 281.092 -0.244 50 20 CBGD CC(C)[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)CCN1 585010245 LJFLDQFDSHCXFW-CYBMUJFWSA-N 294.135 -0.425 50 20 CBGD C[C@H](NCc1ccc(B(O)O)o1)C1CCOCC1 585031396 UKONRXFGDFNHCV-VIFPVBQESA-N 253.107 -0.136 50 20 CBGD CC[C@@H](C)NC(=O)[C@H](C)NCc1cccc(B(O)O)c1 585033150 YRPUQRAUPMXAEH-MNOVXSKESA-N 278.161 -0.241 50 20 CBGD OCC[C@@H](NCc1ccc(B(O)O)o1)c1ccco1 585036647 NOFQNNYSUQNUHL-SNVBAGLBSA-N 265.074 -0.234 50 20 CBGD OC[C@@H](CNCc1ccc(B(O)O)cc1)C1CCC1 585041045 SZCAOIVTMHAFFW-CYBMUJFWSA-N 263.146 -0.135 50 20 CBGD C[C@@](CO)(CCF)NCc1ccccc1B(O)O 585050127 RYSYBLKETJRLDM-LBPRGKRZSA-N 255.098 -0.433 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cccn1C)N1C(=O)CCC1=O 727728450 OEHLBPATSJGKPU-QMMMGPOBSA-N 292.295 -0.676 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)n1cccn1 732082363 CDYSQYUPPKLYQV-MRVPVSSYSA-N 262.273 -0.063 50 20 CBGD CC(=O)NCCCNC(=O)NNc1cccnn1 736372736 UAGKQFBFBPEHFN-UHFFFAOYSA-N 252.278 -0.371 50 20 CBGD COc1ccnc(NNC(=O)c2ccc3nnnn3c2)n1 757633546 BTNHRFOCJXDJEI-UHFFFAOYSA-N 286.255 -0.320 50 20 CBGD CCCCNC(=O)NNC(=O)Cn1c(C)cc(O)cc1=O 759749765 QDCVWNFWVLISSH-UHFFFAOYSA-N 296.327 -0.007 50 20 CBGD COCCO[C@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 760970079 SEKIZOQMEYGXSZ-LBPRGKRZSA-N 299.371 -0.329 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CN(C)C(=O)C1CC1 772109179 JGWJVHOXPUPJCU-QMMMGPOBSA-N 299.327 -0.656 50 20 CBGD Cn1cnn(CC(=O)NCCCSC#N)c1=O 773589518 XIUXSYMTCBYCTJ-UHFFFAOYSA-N 255.303 -0.698 50 20 CBGD O=C(O)CCOc1cccc(C=NNC(=O)CO)c1 776776134 FVEHFZJBRHSYMA-UHFFFAOYSA-N 266.253 -0.018 50 20 CBGD C[C@H]1CCN(S(=O)(=O)NNC(=O)c2ccc[nH]2)C1 777912079 MFVUQAUVZUWWGN-QMMMGPOBSA-N 272.330 -0.164 50 20 CBGD C[C@H]1CCN(S(=O)(=O)NNC(=O)c2cnccn2)C1 777915241 JVNGXWNHMSVQLI-QMMMGPOBSA-N 285.329 -0.702 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1C[C@H]2C[C@@]2(CO)C1 782627278 ZPBBEXMYUPKYKY-RNCFNFMXSA-N 269.345 -0.506 50 20 CBGD O=C(NNS(=O)(=O)CCCCCl)N1CCOCC1 788059802 FVRVATNROZJPHP-UHFFFAOYSA-N 299.780 -0.118 50 20 CBGD CN(NC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)C(N)=O 807181948 ZBJRCHJOSALAJT-YFKPBYRVSA-N 282.222 -0.419 50 20 CBGD COCCO[C@H](C)C(=O)NN=Cc1cnc(N(C)C)n1C 811643565 FTQIVMXOIQNWPY-SNVBAGLBSA-N 297.359 -0.012 50 20 CBGD C#CCOCCNC(=O)NNc1ncncc1F 814320404 PFRFYJMJKYNPDX-UHFFFAOYSA-N 253.237 -0.108 50 20 CBGD CC(C)(CCNC(=O)NNC(=O)[C@H]1CCCO1)C(=O)O 818622721 DMEIKGKTKARDMV-MRVPVSSYSA-N 287.316 -0.003 50 20 CBGD COC(=O)c1cncc(C(=O)NN(C)[C@H](C)CO)c1 823939944 RSIIETUAADIWAF-MRVPVSSYSA-N 267.285 -0.174 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCCN(C)C 825534189 JAPCLMLYSDBESL-NXEZZACHSA-N 272.349 -0.307 50 20 CBGD CNC(=O)CCCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 825876908 QFJIHDWACAQYHI-RKDXNWHRSA-N 286.332 -0.732 50 20 CBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)c1cccnc1 827303647 HETINHLHTPHVRO-ZETCQYMHSA-N 251.242 -0.047 50 20 CBGD CCOCC(=O)NN[C@@H](C(=O)O)c1cccnc1 829939987 QMPZSLZYXZDIGO-SNVBAGLBSA-N 253.258 -0.135 50 20 CBGD COCn1ccc(C(=O)NNC(=O)C(C)(C)O)n1 832754981 XRCQTEDXVLOLLZ-UHFFFAOYSA-N 256.262 -0.981 50 20 CBGD CCN1C[C@H](NC(=O)NNc2ccncn2)CC1=O 836607770 MDISCHGVDNBARZ-MRVPVSSYSA-N 264.289 -0.277 50 20 CBGD NS(=O)(=O)C1(C(=O)NNc2ncccc2F)CC1 846124376 GTWVETRGPLHZFU-UHFFFAOYSA-N 274.277 -0.515 50 20 CBGD CN(NC(=O)C1=NN2CCCN=C2N1)C(=O)OC(C)(C)C 854919209 YHGRTVFCNBEJEQ-UHFFFAOYSA-N 296.331 -0.137 50 20 CBGD CCOC(=O)[C@@H](CC(=O)NN(C)C(=S)NC)C(C)=O 854921627 UTJFLMUVJYFYIY-QMMMGPOBSA-N 289.357 -0.388 50 20 CBGD COC(=O)N(C)CCCC(=O)NNC(=O)c1cc[nH]n1 855358300 FQBNBGWJUZULLE-UHFFFAOYSA-N 283.288 -0.351 50 20 CBGD CCCC(=O)N1CSC[C@@H]1C(=O)NNc1cnnn1C 857271797 ZRJQHFKOBXTQFB-MRVPVSSYSA-N 298.372 -0.040 50 20 CBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)Cc1ccncc1 859828960 IJQGHZYBBWAUAC-LBPRGKRZSA-N 278.312 -0.458 50 20 CBGD CC(C)SCC(=O)NNC(=O)CS(C)(=O)=O 863459070 MYHGUVJURQTKSB-UHFFFAOYSA-N 268.360 -0.680 50 20 CBGD O=C(N[C@H]1CCN2CCC[C@@H]2C1)c1ccc(B(O)O)cc1 864906633 QVTPAVVHOFVOMD-UONOGXRCSA-N 288.156 -0.277 50 20 CBGD CO[C@@]1(C(=O)NNC(=O)C(=O)NC(C)C)CCSC1 900007664 PLJXBGAQHYUANP-NSHDSACASA-N 289.357 -0.820 50 20 CBGD CS(=O)(=O)N1CC(C(=O)NNc2ccccn2)C1 901340590 ZQPZMRRYVVNORR-UHFFFAOYSA-N 270.314 -0.584 50 20 CBGD CN1C(=O)CN(C(=O)[C@]2(C)C[C@H]2Br)CC1=O 908054891 KFCHYKDJSPWVFD-LHLIQPBNSA-N 289.129 -0.013 50 20 CBGD Cc1nnnn1-c1ccc(C(=O)NN(C)C[C@@H](C)O)cc1 910140485 HWVKGWWGAVHHSK-SECBINFHSA-N 290.327 -0.072 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccc(-n2cncn2)nc1 910175640 QKYMRGCIAHQKOT-VIFPVBQESA-N 276.300 -0.380 50 20 CBGD CN1CC[C@@H]1CNC(=O)NNC(=O)c1ccc[nH]1 925397565 IAUFCMWXCNTKNA-MRVPVSSYSA-N 251.290 -0.337 50 20 CBGD CN(CCO)C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br 1118819188 DTNLHLLNVNXXJX-OIBJUYFYSA-N 293.161 -0.273 50 20 CBGD CC(C)N1CCN(C(=O)NNC(=O)c2cn[nH]c2)CC1=O 1118864354 ORNKTJMTYNVNCR-UHFFFAOYSA-N 294.315 -0.683 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCCC12CCOCC2 1256619196 AJFIPYLGTLCOPF-SECBINFHSA-N 299.327 -0.161 50 20 CBGD Cc1coc(C(=O)NNC(=O)C(=O)NC2CC2)c1C 1258437465 QUHJVSMMKLWMPL-UHFFFAOYSA-N 265.269 -0.064 50 20 CBGD CNC(=O)NNC(=O)c1cnn(CCCOC)c1 1261791827 CMENABNJWCFQKR-UHFFFAOYSA-N 255.278 -0.507 50 20 CBGD CC(=O)NC(C)(C)C(=O)NNC(=O)Cc1cc[nH]n1 1320106380 HYLOPAHCWVJLFL-UHFFFAOYSA-N 267.289 -0.986 50 20 CBGD Cn1ccnc(NNC(=O)[C@@]2(C)CCOC2)c1=O 1320434291 HONBOFCTJPLYHA-NSHDSACASA-N 252.274 -0.350 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cc(C#N)ccc1C 1320510874 RLILRYMHGKLPAN-UHFFFAOYSA-N 260.253 -0.028 50 20 CBGD CC(Cn1cncn1)=NNC(=O)Cc1cc(O)nc(O)n1 1328537089 HOVUTOVSYLBZCX-UHFFFAOYSA-N 291.271 -0.786 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNc1nccn(C)c1=O 1330780311 XJIOMYLGHIBYGO-ZETCQYMHSA-N 267.289 -0.862 50 20 CBGD Cn1cnc(C(=O)NNC(=S)NC(C)(C)C)n1 1334734648 KSQFLQCGSWRSAY-UHFFFAOYSA-N 256.335 -0.278 50 20 CBGD CC(C)C(=O)NNC(=O)C(=O)Nc1cccnc1 1337969047 LMUMJDVUKXWLDR-UHFFFAOYSA-N 250.258 -0.177 50 20 CBGD CC(=O)NCCNC(=O)NNC(=O)Cc1ccncc1 1344004248 FCMHEFNWAKKCLT-UHFFFAOYSA-N 279.300 -0.909 50 20 CBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C1(O)CNC1 1573590004 MNGXVFFSEQLXAP-QMMMGPOBSA-N 297.286 -0.925 50 20 CBGD NCc1nc(CC(=O)NNc2nc[nH]n2)cs1 1580352839 LCTKHAUYFLYMMX-UHFFFAOYSA-N 253.291 -0.594 50 20 CBGD O=C(CC1(O)CCNCC1)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1580501631 XXDNIUCOUKBLFM-GMTAPVOTSA-N 297.355 -0.794 50 20 CBGD C=C(CO)C(=O)NNc1cccc(-c2nn[nH]n2)c1 1588444166 OIFOJMZFUMPXHA-UHFFFAOYSA-N 260.257 -0.142 50 20 CBGD O=C(O)[C@@H]1OCC[C@@H]1NS(=O)(=O)CCCCl 1602202801 HPZXYJHTMDZKNX-NKWVEPMBSA-N 271.722 -0.223 50 20 CBGD Cc1nnc(SCC(=O)NNC(=O)C(C)(C)C)n1N 20842744 VXAIULDBSIGDQH-UHFFFAOYSA-N 286.361 -0.414 50 20 CBGD C[C@@]1(NNC(=O)NCc2cccnc2)CCS(=O)(=O)C1 42895091 SLQKZEIERVBTBZ-GFCCVEGCSA-N 298.368 -0.037 50 20 CBGD CCOC(=O)N[C@H](C(=O)NNC(=O)NC)C(C)C 48950282 YZCBUJKHDCRXTR-ZETCQYMHSA-N 260.294 -0.283 50 20 CBGD O=C(CO)NNC(=O)c1cccc(-n2cccn2)c1 180949119 KDABARSBPXHACG-UHFFFAOYSA-N 260.253 -0.374 50 20 CBGD CN(C)c1ccc(C(=O)NNC(=O)C(C)(C)O)cn1 190070752 GDEXGRIKQSVOKL-UHFFFAOYSA-N 266.301 -0.321 50 20 CBGD Cc1ncc(C(=O)NNC(=O)N2CCOCC2)c(C)n1 271940218 SDCPCOFGXPRYGT-UHFFFAOYSA-N 279.300 -0.220 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)N1CCC[C@@H](C)C1 278447388 QHHIJLUAFIFTOL-SECBINFHSA-N 270.333 -0.063 50 20 CBGD CCCC[C@@H](NC(N)=O)C(=O)NN(C)C(=O)OC 286448551 SDKREYWJZPHHQC-SSDOTTSWSA-N 260.294 -0.057 50 20 CBGD CCO/C=C(\C#N)C(=O)NC[C@]1(O)CCN(C)C1 490875724 IUQGEIOBDSHVAO-OFFHKIPUSA-N 253.302 -0.387 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@@H]1CCCN(O)C1=O 491081577 HBQBLYICSWDGKO-UFGYOYAJSA-N 253.258 -0.073 50 20 CBGD CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CO 495302604 SEEZUUMUXGMYHV-ZETCQYMHSA-N 275.305 -0.571 50 20 CBGD COC(=O)NNC(=O)Cn1c(C)c(C)sc1=O 495447019 BRQKOWLNRQCMOV-UHFFFAOYSA-N 259.287 -0.086 50 20 CBGD CN(C)C[C@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 584944191 PRVSUMJWJSSBAS-CQSZACIVSA-N 290.172 -0.077 50 20 CBGD C[C@]1(NC(=O)c2cc(B(O)O)ccc2F)CCOC1 584966795 LTKKVQRLZYHHAQ-LBPRGKRZSA-N 267.065 -0.586 50 20 CBGD C[C@@]1(NC(=O)c2ccc(B(O)O)cc2)CCCOC1 584970922 VFKDUYQRPLMMFX-CYBMUJFWSA-N 263.102 -0.335 50 20 CBGD O=C(N[C@@H]1CCC[C@@H]1CCO)c1ccc(B(O)O)c(F)c1 584974133 MPRSNHVMPFIZSA-NOZJJQNGSA-N 295.119 -0.214 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H](CCCO)C1 584998153 BBLXKCAKZRTVRQ-LLVKDONJSA-N 277.129 -0.399 50 20 CBGD COCCN(C)CCNCc1ccc(B(O)O)cc1F 585021686 YNHUKDXDJWJRDQ-UHFFFAOYSA-N 284.140 -0.827 50 20 CBGD OB(O)c1ccc(CNCCN(CC2CC2)C2CC2)o1 585024283 SQSZZKURTKHTTI-UHFFFAOYSA-N 278.161 -0.077 50 20 CBGD C[C@H]1[C@@H](NCc2ccc(B(O)O)o2)CCCN1C 585034643 KVLVXFPPDUYOPP-ONGXEEELSA-N 252.123 -0.468 50 20 CBGD C[C@H](NCc1cccc(B(O)O)c1)c1ncn(C)n1 585037260 VCEVRFLJVXEVDD-VIFPVBQESA-N 260.106 -0.654 50 20 CBGD OC[C@H](CNCc1ccc(B(O)O)cc1F)[C@H]1CCOC1 585039567 UCVYASLMLGRDLL-RYUDHWBXSA-N 297.135 -0.760 50 20 CBGD O=S(=O)(c1cccc2c1OCO2)N1CC[C@@H](B(O)O)C1 585056814 XSLPCKNUVNGTNX-MRVPVSSYSA-N 299.113 -0.347 50 20 CBGD O=S(=O)(CBr)N[C@@H]1COCC[C@H]1O 710949199 BNRMZXYAONFNII-PHDIDXHHSA-N 274.136 -0.592 50 20 CBGD CC(C)C(=O)NNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 729503046 CMMQUBKCPXLFPK-QWRGUYRKSA-N 284.360 -0.164 50 20 CBGD C#CCCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 735375765 RUMPGEUKTUMWBG-UHFFFAOYSA-N 299.294 -0.166 50 20 CBGD COC(=O)[C@H]1CCCN1CC(=O)NNC(=O)C(C)(C)C 744387068 WIDYCVYUPCJVFR-SECBINFHSA-N 285.344 -0.183 50 20 CBGD Cc1ccc(C(=O)NNC(=S)NCC(=O)N(C)C)o1 752243257 FGCRIMWSLAZRHK-UHFFFAOYSA-N 284.341 -0.215 50 20 CBGD CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NNC(=O)CO)C1 753443787 AHSNTKYHSZTXDX-ZJUUUORDSA-N 285.344 -0.589 50 20 CBGD CCNC(=O)NN=Cc1cnc(N2CCN(C)CC2)nc1 755668714 OTZRLNAKJAOZCR-UHFFFAOYSA-N 291.359 -0.119 50 20 CBGD CCN(CC)C(=O)CCC(=O)NNc1nccn(C)c1=O 755832547 PPWGQVPSDBIWQR-UHFFFAOYSA-N 295.343 -0.128 50 20 CBGD CCOc1cccc(NC(=O)C(=O)NNC(=O)COC)c1 764302752 HGBISYOQAFJSGT-UHFFFAOYSA-N 295.295 -0.182 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C1(F)CCCC1 771927463 IJZCOTGPEUYHRQ-UHFFFAOYSA-N 259.281 -0.059 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCNC(=O)OC 772132295 KTBSWQRKKNLAIX-ZETCQYMHSA-N 289.288 -0.778 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CC[C@H]1O 778254414 CKEDPUBBIHYJEY-NXEZZACHSA-N 271.361 -0.117 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)Cc1ccon1 782477050 FJEMWTHREQRTMB-UHFFFAOYSA-N 262.291 -0.330 50 20 CBGD CC(C)C[C@@H]1C(=O)NCCN1CC(=O)NNC(=O)C1CC1 782576973 YJVVMMQEOAXLKL-LLVKDONJSA-N 296.371 -0.610 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)c1cc([N+](=O)[O-])n[nH]1 803351798 IVXRYFNGACFVEY-UHFFFAOYSA-N 296.165 -0.176 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O 804125204 PVWPWWNGFCNKHS-QMMMGPOBSA-N 293.345 -0.470 50 20 CBGD Cc1cc(CC(=O)NN=Cc2cn(C)nc2O)n[nH]1 814218722 YNWPAZJVDWGJLK-UHFFFAOYSA-N 262.273 -0.150 50 20 CBGD CCn1nncc1C(=O)NNc1nccc(OC)n1 814977368 KZIYXXBIJWEKPY-UHFFFAOYSA-N 263.261 -0.147 50 20 CBGD CNC(=O)NCCC(=O)NNc1nc(C)cc(OC)n1 815740008 TUPGMTBQBVQDHQ-UHFFFAOYSA-N 282.304 -0.444 50 20 CBGD CO[C@@H](C)CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 821464403 KAGUXKSUTIJMSZ-WCBMZHEXSA-N 279.362 -0.598 50 20 CBGD CCCNC(=O)NNC(=O)Cc1nnn(C(C)(C)C)n1 823950662 JGQZBCPBVJWWCT-UHFFFAOYSA-N 283.336 -0.289 50 20 CBGD CC(=O)N1CCC[C@H](C(=O)NN(C)[C@@H](C)CO)C1 823983586 XHWYMBFUOULBGA-ONGXEEELSA-N 257.334 -0.411 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)N1 827016515 SNVLHJBRWVBBPM-DQIBGETKSA-N 277.324 -0.296 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCCc3nn[nH]c32)n[nH]1 831419271 XMUABBPHGZVHAQ-ZETCQYMHSA-N 289.299 -0.283 50 20 CBGD CCOCCNC(=S)NNC(=O)[C@H]1CCO[C@@H]1C 843278131 XDZQDEMOAFZFON-BDAKNGLRSA-N 275.374 -0.057 50 20 CBGD Cc1[nH]nc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1[N+](=O)[O-] 843976758 YULWXLBXZRFGLL-NKWVEPMBSA-N 297.271 -0.188 50 20 CBGD CCn1ccc(CC(=O)NNC(=O)c2ccnnc2)n1 846267449 RLWXOJDCWGSPNF-UHFFFAOYSA-N 274.284 -0.303 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H](C)n1cnc2c(N)ncnc21 854408843 AVJIKCOMIVSQGV-ZCFIWIBFSA-N 293.287 -0.301 50 20 CBGD CCN1C[C@H](C(=O)NN(C)C(=S)NC)CC1=O 854925896 PCDJVUNSOFRUTQ-SSDOTTSWSA-N 258.347 -0.678 50 20 CBGD CN(C)c1ccnc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862453057 INYVGEWJVFVUMK-SECBINFHSA-N 291.311 -0.813 50 20 CBGD Cc1cc(=NNC(=O)CCNS(C)(=O)=O)cc[nH]1 862509030 DBSHUDQQGNVJJL-UHFFFAOYSA-N 272.330 -0.806 50 20 CBGD CC1=C(C(=O)NN=c2cc[nH]c(C)c2)S(=O)(=O)CCO1 862512612 CHEDKCACEMIOLV-UHFFFAOYSA-N 297.336 -0.068 50 20 CBGD CC(CN1C(=O)CCC1=O)=NNC(=O)c1cn[nH]c1 863154457 WZBLNGNYEOHPBR-UHFFFAOYSA-N 263.257 -0.336 50 20 CBGD CC(C)COC(=O)[C@H](C)NC(=O)c1cccc(B(O)O)c1 863878949 XWYIZDDDIRZXOZ-JTQLQIEISA-N 293.128 -0.316 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@@H]1CCCNC1=O 899998354 KKSRZUPVKHEZJH-SSDOTTSWSA-N 272.374 -0.194 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1 919879110 CBUFJAMFGSBECP-NSHDSACASA-N 292.295 -0.239 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@H]2COC[C@@H]2C)n1 925991210 MYCIKUXVIVOVFD-KWQFWETISA-N 295.343 -0.135 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)[C@H]1CCC(=O)N1 1118933880 KUYINWWXKQFWBB-AEJSXWLSSA-N 283.328 -0.382 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccnnc1C 1253570161 HMPJLSNHUGCVNZ-UHFFFAOYSA-N 267.289 -0.234 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCCN2CCC[C@H]2C1 1261848286 UOEYQHYDVIYZJP-AWEZNQCLSA-N 288.156 -0.323 50 20 CBGD CCNC(=O)CCCC(=O)NNC(=O)C1CCOCC1 1262031681 YVXDGUCSGRQTCY-UHFFFAOYSA-N 285.344 -0.133 50 20 CBGD NC(=O)c1cc(C(=O)NNC(=O)NCC2CC2)c[nH]1 1318004709 GPURRTJCCARCEV-UHFFFAOYSA-N 265.273 -0.532 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)Cc2cccnc2)CCC1 1319052610 LOERYZFOZKYYNT-UHFFFAOYSA-N 276.296 -0.573 50 20 CBGD Cn1nc(C(=O)NNc2ncccc2[N+](=O)[O-])ccc1=O 1319101088 YEKUQJAVXDKZKG-UHFFFAOYSA-N 290.239 -0.160 50 20 CBGD CCc1noc(CCCC(=O)NNC(=O)CO)n1 1320209776 XYNHENIABYYMIW-UHFFFAOYSA-N 256.262 -0.906 50 20 CBGD CC(=O)NNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 1320257087 DIQHRPIALRMKDR-UHFFFAOYSA-N 290.279 -0.481 50 20 CBGD O=C(NC[C@H]1CCCOC1)NNC(=O)C(=O)N1CCCC1 1321162928 ZQEGPKQILFTGMY-SNVBAGLBSA-N 298.343 -0.634 50 20 CBGD COC(=O)c1ccc(C=NNC(=O)CCO)n1C 1324925219 VCIHYAMOKVJPMC-UHFFFAOYSA-N 253.258 -0.356 50 20 CBGD Cn1ncnc1C(=O)NNC(=O)CCCCCN 1328711824 IIZMIMQWUVVQED-UHFFFAOYSA-N 254.294 -0.905 50 20 CBGD O=C(C[C@H]1CC(=O)N1)NNc1ncc(Cl)cn1 1329668529 WHORPLQPEDAXDW-ZCFIWIBFSA-N 255.665 -0.148 50 20 CBGD CC1(C(=O)NNC(=O)CN2CCCC2=O)CCC(=O)CC1 1350836748 UWFFKTAGFFLKHM-UHFFFAOYSA-N 295.339 -0.094 50 20 CBGD CS(=O)(=O)c1ccccc1NNC(=O)NCCN 1574059031 AAFGSGSRRHLSAU-UHFFFAOYSA-N 272.330 -0.325 50 20 CBGD O=C(Cc1nc(C2CC2)n[nH]1)NNC(=O)[C@H]1CCCNC1 1580577655 HZTBONBQRCSMQI-VIFPVBQESA-N 292.343 -0.628 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cccc(F)c1-c1nn[nH]n1 1589881753 CXZCZJZMTVZSNA-SSDOTTSWSA-N 294.290 -0.037 50 20 CBGD COC(=O)C(=O)NN=C(C)c1ccccc1-c1nn[nH]n1 1591226244 RBKZUWNWRKYEIL-UHFFFAOYSA-N 288.267 -0.120 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@H](C(=O)O)C2CC2)nn1 1594649890 CSWJSJHRBTYEMC-MRVPVSSYSA-N 279.256 -0.871 50 20 CBGD COC(=O)[C@@H](NNC(=O)C(=O)O)c1cccc(C#N)c1 1598708211 AWOFKNYQXJRGAH-VIFPVBQESA-N 277.236 -0.522 50 20 CBGD COC(=O)C[C@H](NS(=O)(=O)CCCCl)C(=O)O 1606441896 DYHASLWXFOQKCK-LURJTMIESA-N 287.721 -0.449 50 20 CBGD O=C(O)CNC(=O)NN=Cc1ccc(C(=O)O)[nH]1 1608754697 YQROTPMWKLXFIC-UHFFFAOYSA-N 254.202 -0.569 50 20 CBGD O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12)NNC(=O)C(=O)O 1610691560 BVRYASLMVQFQPG-HBNTYKKESA-N 289.291 -0.013 50 20 CBGD C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Cl)CCO2 1783049147 QHXNBZVGSLEKRM-PWSUYJOCSA-N 288.706 -0.016 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@@H]2COCCO2)cc1 32668367 JYLDDTLJJFPGOT-NSHDSACASA-N 280.280 -0.128 50 20 CBGD CCS(=O)(=O)CCNS(=O)(=O)CCCCl 233829067 INNAXMFCPWKXBC-UHFFFAOYSA-N 277.795 -0.031 50 20 CBGD CNC(=O)NNC(=O)COc1cc(OC)ccc1C=O 265166899 CFMNRUHHNWTKHJ-UHFFFAOYSA-N 281.268 -0.153 50 20 CBGD CSCCNC(=S)NNC(=O)CN(C)C(C)=O 271358699 DOLJLUNHZNVIKO-UHFFFAOYSA-N 278.403 -0.677 50 20 CBGD CCCNC(=O)CCCC(=O)NNC(=O)C(C)(C)O 276199111 FQJUOHULFBMSAR-UHFFFAOYSA-N 273.333 -0.399 50 20 CBGD CON(C)C(=O)CNS(=O)(=O)CCCCCl 397524664 OMAUZWBQHWUAJI-UHFFFAOYSA-N 272.754 -0.055 50 20 CBGD CCN(CC)C(=O)CN(C)C(=O)c1cccc(B(O)O)c1 584925951 VEHTXPVJAQTZHR-UHFFFAOYSA-N 292.144 -0.693 50 20 CBGD CC[C@@H](NC(=O)c1cccc(B(O)O)c1)[C@H]1CCOC1 584951532 JJPYYLFFBQJFPW-WCQYABFASA-N 277.129 -0.089 50 20 CBGD CC(C)C[C@@H](O)CNC(=O)c1cccc(B(O)O)c1 584959497 HQYWISJJICLCRI-GFCCVEGCSA-N 265.118 -0.497 50 20 CBGD CCC[C@@H](O)CNC(=O)c1cccc(B(O)O)c1 584959983 NFPZJXVDOMYLLQ-LLVKDONJSA-N 251.091 -0.743 50 20 CBGD O=C(NC[C@H]1CC1(F)F)c1ccc(B(O)O)c(F)c1 585000745 OODWPPMMSPBMSD-SSDOTTSWSA-N 273.019 -0.110 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@H]2C[C@H]2C1 585005184 AIZZAXVZXSIYQE-IUCAKERBSA-N 263.077 -0.013 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)cc1F)[C@@H](C)n1cncn1 585020435 XGSCOLYTASKDHQ-NXEZZACHSA-N 292.123 -0.164 50 20 CBGD Cc1ccc(CCNCc2ccc(B(O)O)o2)cn1 585024401 XGABTDBPYPEHCH-UHFFFAOYSA-N 260.102 -0.005 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCCOC2)c(F)c1 585038161 VACPDRKENXSDJK-LLVKDONJSA-N 253.082 -0.226 50 20 CBGD Cn1nccc1[C@@H](CO)NCc1ccc(B(O)O)cc1F 585045523 BUVBLCIHAIFUCR-GFCCVEGCSA-N 293.107 -0.938 50 20 CBGD CC(C)NC(=O)Nc1ccccc1C(=O)NCB(O)O 585053677 BNOINSRRLZQMJH-UHFFFAOYSA-N 279.105 -0.042 50 20 CBGD CC(C)(C(N)=O)c1nc(-c2ccc(B(O)O)cc2)no1 585055235 TXLTXBSCYHWTHC-UHFFFAOYSA-N 275.073 -0.821 50 20 CBGD COc1ccc(S(=O)(=O)NCB(O)O)c(F)c1 585059356 KHENFJPKHZYGGD-UHFFFAOYSA-N 263.055 -0.875 50 20 CBGD O=C(NCB(O)O)[C@H]1COc2cc(F)ccc2C1 585062380 HPQVTRNWAKFNQP-MRVPVSSYSA-N 253.038 -0.495 50 20 CBGD C=CCn1nnnc1SCC(=O)NNC(=O)C1CC1 742450695 HJQMNHMNYJOWRS-UHFFFAOYSA-N 282.329 -0.491 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCCC[C@H]1C(N)=O 744383475 RBWJPQTVRARDNO-VIFPVBQESA-N 284.360 -0.480 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C(=O)N1CCCC1)C1CC1 748446923 MUYQRFDCJURCHQ-MRVPVSSYSA-N 268.317 -0.262 50 20 CBGD CC(=O)NCc1ccc(NC(=O)NNC(=O)CO)cc1 756556042 ZEPGNFRWFCZNHU-UHFFFAOYSA-N 280.284 -0.532 50 20 CBGD Cn1ccnc(NC(=O)NNC(=O)c2ccccn2)c1=O 757908840 UTIBHJZLOJOLDB-UHFFFAOYSA-N 288.267 -0.358 50 20 CBGD CC(C)OC(=O)[C@H](C)N(C)CC(=O)NNC(=O)C1CC1 759792591 NDFUCMDDNAUICR-VIFPVBQESA-N 285.344 -0.184 50 20 CBGD COc1ccc(NC(=O)C(=O)NNC(=O)C(C)C)cn1 763831324 FVDIEUGZQXZBPB-UHFFFAOYSA-N 280.284 -0.168 50 20 CBGD Cn1ncc(C(=O)NNC(=O)CO)c1Cc1ccccc1 770702901 CBHVRARJSHTYFN-UHFFFAOYSA-N 288.307 -0.236 50 20 CBGD O=C(NC[C@@H]1COCCO1)NNc1nc2ccccn2n1 790237351 ZIFZAQUJNMBDKN-SECBINFHSA-N 292.299 -0.229 50 20 CBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccsc1 795290532 NVWUOJDPFADTNY-UHFFFAOYSA-N 291.354 -0.418 50 20 CBGD CO[C@H](C)CS(=O)(=O)NNC(=O)c1ccc[nH]1 800831782 HMBLDSVDXGAGGI-SSDOTTSWSA-N 261.303 -0.386 50 20 CBGD CCOCC(=O)NNC(=O)NCc1nnc(CC)s1 812598492 FPFKPGOJCJFHLX-UHFFFAOYSA-N 287.345 -0.033 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cccc(-n2cnnn2)c1 823986839 AGDMJJXKPMOCFT-SECBINFHSA-N 276.300 -0.380 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCOC[C@H]1C 827273277 GPLUHTOSMJZYBR-BBBLOLIVSA-N 271.317 -0.127 50 20 CBGD C[C@H](CC(=O)O)C(=O)NNC(=O)Cc1ccccn1 827303926 LPVQGQPYXSYDSN-MRVPVSSYSA-N 265.269 -0.118 50 20 CBGD COC(=O)c1cc(C)cc(C(=O)NNC(=O)CO)c1 839721769 SGBZLTAOFLRGQQ-UHFFFAOYSA-N 266.253 -0.465 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(=O)n1C 843659018 GYXUUTVMBFFCIV-RKDXNWHRSA-N 279.296 -0.429 50 20 CBGD COC(=O)N(C)NC(=O)Cn1nc2n(c1=O)CCCC2 846121870 GMMQWAXHMMJDEY-UHFFFAOYSA-N 283.288 -0.890 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNc1ncnc2[nH]cnc12 846635327 KTWKUWCPMVSIHM-UHFFFAOYSA-N 291.315 -0.042 50 20 CBGD CN1C(=O)CC[C@H]1CC(=O)NNC(=O)c1ccc[nH]1 854278620 ZTSFBHNTKQYUHX-QMMMGPOBSA-N 264.285 -0.213 50 20 CBGD C[C@H]1COCCN1CCNC(=O)NNC(=O)c1cn[nH]c1 858283756 QMIMNHNITHSFAN-VIFPVBQESA-N 296.331 -0.926 50 20 CBGD CC(C)C(=O)NNC(=O)CN(C)C[C@H]1C[C@@H](O)C1 859971351 XRUFYGDUUZTKJW-AOOOYVTPSA-N 257.334 -0.508 50 20 CBGD CC[C@@]1(C(=O)NNC(=O)C2CCC2)CCNC1=O 865703801 LEGKDYPIMVSPQF-GFCCVEGCSA-N 253.302 -0.150 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)CN1CCCC1 874437145 GGDJXRWJSIBUHC-UHFFFAOYSA-N 251.290 -0.805 50 20 CBGD O=C(CSC(F)F)NNC(=O)CN1CCCC1=O 913733436 JGTQKDBJVNTSEK-UHFFFAOYSA-N 281.284 -0.288 50 20 CBGD O=C(CCO)NNC(=O)C(=O)Nc1ccccc1F 1116623548 LQZWKZPZAJNQBV-UHFFFAOYSA-N 269.232 -0.706 50 20 CBGD O=C(CCCc1nccs1)NNC(=O)[C@H]1CCC(=O)N1 1118885037 UFLDTKKIWQERCA-MRVPVSSYSA-N 296.352 -0.108 50 20 CBGD CCOCCO[C@@H](C)C(=O)NNc1nccn(C)c1=O 1319352075 CXNZSNHWJWNHPH-VIFPVBQESA-N 284.316 -0.335 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccccc1-n1ccnn1 1320231656 FTNINFIGMYBQPN-UHFFFAOYSA-N 288.267 -0.627 50 20 CBGD CC(C)(C#N)CNC(=O)NNC(=O)C(=O)NC1CC1 1323646159 XKVJEIKSONNRTO-UHFFFAOYSA-N 267.289 -0.855 50 20 CBGD N#Cc1cccc(C(=O)NNC(=S)NCC(N)=O)c1 1326361689 IMPNUJBSCFMIPF-UHFFFAOYSA-N 277.309 -0.848 50 20 CBGD COc1cncc(NC(=O)C(=O)NNC(=O)C(C)C)n1 1326464099 RLRPBJWXWWAVMP-UHFFFAOYSA-N 281.272 -0.773 50 20 CBGD CN1CCCC[C@@H]1CNC(=O)c1ccc(B(O)O)cc1 1336204173 STHNSMKVISOABM-CYBMUJFWSA-N 276.145 -0.420 50 20 CBGD CCNC(=O)CC(=O)NNc1nncc(N)c1Cl 1342033577 CKHYPSNWGODCIQ-UHFFFAOYSA-N 272.696 -0.319 50 20 CBGD CN(C)C(=O)c1ccc(NC(=O)NNC(=O)CCO)cc1 1342673756 KYRJFHPCLRLSEY-UHFFFAOYSA-N 294.311 -0.077 50 20 CBGD O=C(NCC[C@]1(O)CCCOC1)NNC(=O)c1ccc[nH]1 1346182835 HNFRNNBSXKDXHA-CYBMUJFWSA-N 296.327 -0.110 50 20 CBGD O=C1CC[C@H](CC(=O)NNc2ncncc2F)CN1 1351245130 OZHHYDNDUWUNNV-SSDOTTSWSA-N 267.264 -0.025 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cccn1C)[C@@H]1CCC(=O)N1 1351340060 AKTBUXANSPNXSI-BDAKNGLRSA-N 278.312 -0.299 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)C(=O)O)CN1CCCCC1 1592676046 IORDUVOITAUNGM-VIFPVBQESA-N 286.332 -0.477 50 20 CBGD CC(Cn1ccccc1=O)=NNC(=O)NCC(=O)O 1592918620 NSPIQOZQZHRKLJ-UHFFFAOYSA-N 266.257 -0.392 50 20 CBGD CN(C)[C@H]1CCC[C@H](NC(=O)NNC(=O)C(=O)O)C1 1598190291 JVUGTKWAWGZHEV-YUMQZZPRSA-N 272.305 -0.726 50 20 CBGD O=C(O)CN1CCN(S(=O)(=O)CCCCl)CC1 1602062354 PKGGRYIARMIHJW-UHFFFAOYSA-N 284.765 -0.353 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1603566924 XGNYVFTVUASKFI-LURJTMIESA-N 265.277 -0.848 50 20 CBGD O=C(O)CCCC(=O)NNC(=O)c1ccnnc1 1606136786 BXINMCJGZJHNTM-UHFFFAOYSA-N 252.230 -0.508 50 20 CBGD O=C(NNC(=O)C(=O)O)NC1CCN(C2CCCC2)CC1 1610699016 ASWMWGHANCWNAC-UHFFFAOYSA-N 298.343 -0.192 50 20 CBGD CNC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 48949027 XORBNLOSODYOEN-UHFFFAOYSA-N 268.229 -0.066 50 20 CBGD COCC(=O)NNC(=O)Cn1cnc2ccccc21 78263329 JDQAVTFGVPOGOT-UHFFFAOYSA-N 262.269 -0.170 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@](C)(O)C1 124300986 PZNOPGUJKZPKSB-BXKDBHETSA-N 257.334 -0.221 50 20 CBGD CC[C@@H](C(=O)NNC(=O)c1cnn(C)c1)N1CCCC1=O 173688479 ZHGGUVZZBXLYOP-JTQLQIEISA-N 293.327 -0.418 50 20 CBGD CN(NC(=O)CNC(=O)c1ccccc1)C(N)=O 181075560 WWOALWRHYDVOAZ-UHFFFAOYSA-N 250.258 -0.542 50 20 CBGD C[C@@H](C1CC1)n1cc(NC(=O)NNC(=O)CO)cn1 189828336 UMQLFLKMHOWDSB-ZETCQYMHSA-N 267.289 -0.001 50 20 CBGD NC(=O)[C@@H]1CCCN1CC(=O)NNC(=O)c1ccccc1 194038314 VIQDPPIBBLCALG-NSHDSACASA-N 290.323 -0.603 50 20 CBGD COC(=O)NNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 276726426 CDQVHGWORUOURN-LLVKDONJSA-N 284.272 -0.906 50 20 CBGD COC(=O)NNC(=O)[C@H]1CC(c2cccnc2)=NO1 276803537 MUBHLXRPNZSNGW-SECBINFHSA-N 264.241 -0.038 50 20 CBGD COc1ccnc(NNC(=O)C[C@H]2CCCC(=O)N2)n1 289260670 MQJNQLLKINMYRP-MRVPVSSYSA-N 279.300 -0.013 50 20 CBGD CCN(C)C(=O)[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCCO1 292488905 CJVMKHFFQMMHRK-BDAKNGLRSA-N 286.332 -0.637 50 20 CBGD C[C@H]1CN(S(=O)(=O)CBr)C[C@H](CO)O1 299918752 VLIAXHYDSVWALX-NKWVEPMBSA-N 288.163 -0.250 50 20 CBGD CCOC(=O)NNC(=O)[C@H]1CCc2nnn(C)c2C1 496793649 UUVPUALUCMMMPH-ZETCQYMHSA-N 267.289 -0.303 50 20 CBGD CN(C[C@@H]1CCCOC1)C(=O)c1cccc(B(O)O)c1 584943463 IQDCHVMNIYNWBF-NSHDSACASA-N 277.129 -0.135 50 20 CBGD CCN(Cc1cnn(C)c1)C(=O)c1cccc(B(O)O)c1 584944708 UPIVZOSVYOHGNE-UHFFFAOYSA-N 287.128 -0.238 50 20 CBGD CCCN(CC(C)(C)O)C(=O)c1ccc(B(O)O)cc1 584957490 OREGGWPACBTJMX-UHFFFAOYSA-N 279.145 -0.011 50 20 CBGD CC(C)[C@@H](CO)NC(=O)c1ccc(B(O)O)cc1 584970496 ZIHPOBPSARSOMI-LLVKDONJSA-N 251.091 -0.887 50 20 CBGD C[C@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@H]1O 584971101 XFUKOMLWSLFEBL-QPUJVOFHSA-N 281.092 -0.652 50 20 CBGD COCC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584976613 RWBWGQSDPHZNDP-LLVKDONJSA-N 277.129 -0.135 50 20 CBGD O=C(NCCOC(F)(F)F)c1ccc(B(O)O)c(F)c1 584979837 HPEMGAYKPUFREW-UHFFFAOYSA-N 294.997 -0.228 50 20 CBGD O=C(NCCC(=O)N1CC[C@@H](B(O)O)C1)c1cccs1 585074212 KGJPEJVWEVUGJX-SECBINFHSA-N 296.157 -0.057 50 20 CBGD Cc1nnc(NNC(=O)CSCC(=O)O)nc1O 740251725 KOWPMDVZHYNBSG-UHFFFAOYSA-N 273.274 -0.853 50 20 CBGD CC(C)C(=O)NNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 740738828 QWWLKLRKGYUHMA-SNVBAGLBSA-N 284.360 -0.800 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=S)NCCN(C)C 748604666 ADTSONPFCRUZFW-VIFPVBQESA-N 292.405 -0.905 50 20 CBGD CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NNC(=O)CO)C1 753443785 AHSNTKYHSZTXDX-UWVGGRQHSA-N 285.344 -0.589 50 20 CBGD COCCn1cc(NC(=O)NNC(=O)COC)cn1 761853601 UTTFCOHWIPJUFL-UHFFFAOYSA-N 271.277 -0.671 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@]1(O)CCSC1 765777157 IBHOOHKBCYAFNN-LBPRGKRZSA-N 281.337 -0.361 50 20 CBGD COc1cccc(C(=O)NNC(=O)CO)c1[N+](=O)[O-] 770710328 XLKNYOQZLFYDCS-UHFFFAOYSA-N 269.213 -0.643 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccnn1C 772053356 DXHWYNNFBDBECS-ZETCQYMHSA-N 268.273 -0.477 50 20 CBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)c2cnn(C)c2)CCO1 776324862 FOMHXTRIVFCQGM-BDAKNGLRSA-N 266.301 -0.004 50 20 CBGD CCn1cc(CC(=O)NNC(=O)NC2CC2)cn1 780470359 QHBPRYCVPJIJIP-UHFFFAOYSA-N 251.290 -0.062 50 20 CBGD CCNC(=O)N(C)NC(=O)CN1CCCNC1=O 780705610 FAOBWRZWJUGZQT-UHFFFAOYSA-N 257.294 -0.906 50 20 CBGD O=C(CCCN1C(=O)CNC1=O)NN=c1cc[nH]cc1 781019860 NUILQKGKTFWCEW-UHFFFAOYSA-N 277.284 -0.721 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)NCCN1CCNC(=O)C1 781406992 VIUGBVPQNQUVAE-UHFFFAOYSA-N 299.375 -0.815 50 20 CBGD CC(C)(C(=O)NNC(=O)NC1CC1)S(=O)(=O)C1CC1 785955414 JREINNQFBQWZNX-UHFFFAOYSA-N 289.357 -0.165 50 20 CBGD O=C(CO)NNC(=O)c1ccncc1C(F)(F)F 800694861 DVOZZTYOKFDDEJ-UHFFFAOYSA-N 263.175 -0.146 50 20 CBGD O=C(CN1CSCC1=O)NNC(=O)N=c1cc[nH]cc1 802033792 OGNODEWPANDLLP-UHFFFAOYSA-N 295.324 -0.811 50 20 CBGD CC1CC(C#N)(C(=O)NNC(=O)N2CCN(C)CC2)C1 807382870 SNWGFFFEVIKNFR-UHFFFAOYSA-N 279.344 -0.086 50 20 CBGD COc1ccc2c(c1OC)OCC2=NNC(=O)C(N)=O 814696513 ICYWNMFUFFLWDL-UHFFFAOYSA-N 279.252 -0.598 50 20 CBGD CCN(CCO)NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 823869424 IYEGPGRYCISXQE-VIFPVBQESA-N 295.405 -0.704 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CCN(c2ccccc2)C1 827895873 WRKDREFEXQSJTJ-SNVBAGLBSA-N 263.297 -0.347 50 20 CBGD CCO/C=C(\C#N)C(=O)N1C[C@H](O)C[C@@H]1C(=O)OC 830366155 FTIHQZPCHQCKET-WENXHQBNSA-N 268.269 -0.435 50 20 CBGD CCO[C@H](CC)C(=O)NNC(=O)N1CCN(C)CC1 839733932 MNCKMSSZGJECOU-SNVBAGLBSA-N 272.349 -0.210 50 20 CBGD COc1cc(C)nc(NNC(=O)N[C@H](C)CN)n1 841969741 PXNRRFWXYSIOQA-SSDOTTSWSA-N 254.294 -0.233 50 20 CBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)[C@@H]1CCCCO1 848158818 ZUAMAQVTPMBCET-HLTSFMKQSA-N 269.301 -0.786 50 20 CBGD CNC(=O)NNS(=O)(=O)C[C@H](OC)C1CCCC1 849307525 XHSGFVKKCKWZDW-VIFPVBQESA-N 279.362 -0.045 50 20 CBGD C=CCNC(=S)NNC(=O)CCn1cncn1 851705486 NGYGGHBRBXUKEB-UHFFFAOYSA-N 254.319 -0.651 50 20 CBGD CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1cn(C)nn1 853390762 LQWVOEDMSYKFQV-PWSUYJOCSA-N 292.343 -0.482 50 20 CBGD O=CN1CCC[C@H]1C(=O)NNC(=S)NCC1CCC1 855092827 BZHIBIJGRZMTDM-JTQLQIEISA-N 284.385 -0.097 50 20 CBGD O=C(NNC(=O)[C@@H]1CCNC1=O)c1ccccc1O 856761741 BUYDABQLKKMUBY-MRVPVSSYSA-N 263.253 -0.711 50 20 CBGD CO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858583430 BNRWIBVHZXODPY-KXUCPTDWSA-N 298.343 -0.447 50 20 CBGD COCCN(C)NC(=O)Cn1cc(C(=O)OC)cn1 861657185 PEYZMAAOCXWDOA-UHFFFAOYSA-N 270.289 -0.721 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)NC[C@@H]1COCCN1 861681761 LXBKWZRYWRQYPW-SECBINFHSA-N 272.349 -0.259 50 20 CBGD NC(=O)[C@@H]1C[C@@H]1C(=O)NN=c1cc[nH]cc1Cl 907405343 AJHFKTMLPMCFGY-RITPCOANSA-N 254.677 -0.279 50 20 CBGD CCCN(C)CC(=O)NNC(=O)CN1CCCC1=O 913731064 SRFKIRZNEHQRNX-UHFFFAOYSA-N 270.333 -0.902 50 20 CBGD CCOC(=O)[C@H]1CCN([C@H](C)C(=O)NNC(=O)CC)C1 932640413 AFYVHWUCVFOSQR-ZJUUUORDSA-N 285.344 -0.183 50 20 CBGD CN(C)C(=O)NNC(=O)c1cnc2c(c1)NC(=O)CO2 1116453067 SPWLQNCEKDTGBW-UHFFFAOYSA-N 279.256 -0.672 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)C1CCC(O)CC1 1116856882 OSBXXCOGLOFIKX-UHFFFAOYSA-N 266.301 -0.349 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNc1nccn(C)c1=O 1261526486 KXEFFBOYLSQEID-UHFFFAOYSA-N 281.316 -0.614 50 20 CBGD C[C@H](NC(=O)NNC(=O)C(C)(C)C)[C@@H]1CN(C)CCN1C 1263778784 RMBGJZCLZMDCRR-QWRGUYRKSA-N 299.419 -0.003 50 20 CBGD CC(C)CNC(=O)CNC(=O)NNC(=O)c1cnn(C)c1 1318668267 GRKNMJDDDBTVLO-UHFFFAOYSA-N 296.331 -0.864 50 20 CBGD O=C(NCCC(F)(F)F)NNC(=O)C(=O)N1CCCC1 1318851979 QMJBJNSASZPNSB-UHFFFAOYSA-N 296.249 -0.108 50 20 CBGD Cn1cncc1CCC(=O)NNC(=O)NC1CC1 1321042358 GTJVAGMOWHWAEK-UHFFFAOYSA-N 251.290 -0.155 50 20 CBGD CN(NC(=O)CC1CCN(S(C)(=O)=O)CC1)C(N)=O 1326781119 MFVOOQABTWYJDP-UHFFFAOYSA-N 292.361 -0.910 50 20 CBGD Cn1cc(C(=O)NN=C2CCN(C(N)=O)CC2)cn1 1339189380 DIEVWPYQFRXTFR-UHFFFAOYSA-N 264.289 -0.320 50 20 CBGD C=CCNC(=S)NNC(=O)c1cccc(=O)n1C 1339804373 SEXQWLCJJQSZCT-UHFFFAOYSA-N 266.326 -0.320 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)C1=NOC2(CNC2)C1 1575125733 PXTCYVMXTRNDMY-UHFFFAOYSA-N 268.317 -0.312 50 20 CBGD CC(C)(C(=O)O)C(=O)NNC(=O)N=c1cc[nH]cc1 1588618345 BWHXSBYOSMPYRU-UHFFFAOYSA-N 266.257 -0.233 50 20 CBGD CCOC(=O)NNC(=O)c1cnc(C(=O)O)cn1 1590883794 BJWZDYMRZAUAKM-UHFFFAOYSA-N 254.202 -0.434 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cc(C(=O)O)nn1C 1592761513 DASHPNONYAIJHF-LURJTMIESA-N 256.262 -0.924 50 20 CBGD C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)NNC(=O)C(=O)O 1594278809 WMPBPWQXLGWWTC-KVPKETBZSA-N 255.274 -0.307 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)[C@H]1CC[C@@H](C(=O)O)C1 1596463320 VUOAOXJVSZHOAJ-SFYZADRCSA-N 293.345 -0.265 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)NC2CC2)O[C@H]1C(=O)O 1599876246 YMBQXUPSVKFMKL-LPBLVHEISA-N 271.273 -0.643 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)[C@]1(C(=O)O)CCCO1 1605750247 FWOFJGUPWMUPHR-QMMMGPOBSA-N 299.205 -0.487 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)c2ccc(O)nc2)nn1 1776094411 RFOXBJULYNNZBY-UHFFFAOYSA-N 290.239 -0.773 50 20 CBGD O=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)C1CC1 15838872 VZPBBQQMWAREPR-UHFFFAOYSA-N 286.295 -0.103 50 20 CBGD O=C(NNC(=O)c1ccco1)N[C@@H]1CCS(=O)(=O)C1 42871697 IHDBLXOMFXCNQF-SSDOTTSWSA-N 287.297 -0.589 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)NCCCOC 49198178 XMVQCXNETFRDQR-MRVPVSSYSA-N 289.336 -0.810 50 20 CBGD O=C(CN[C@@H](C(=O)O)C1CC1)NNC(=O)c1ccccc1 54522676 WLRSUJGLDCDQQU-GFCCVEGCSA-N 291.307 -0.100 50 20 CBGD CCc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1 126445828 CUABMBHPYLWZNN-UHFFFAOYSA-N 292.339 -0.104 50 20 CBGD O=C(CO)NNC(=O)Cc1cc(F)c(F)cc1F 182771706 YXYZGPDRZSAPSU-UHFFFAOYSA-N 262.187 -0.214 50 20 CBGD CN(C)C(=O)CNC(=O)NNc1cncc(Cl)n1 193237037 HTXKLFCXINQVDJ-UHFFFAOYSA-N 272.696 -0.156 50 20 CBGD CCS(=O)(=O)NCC(=O)NNc1nccnc1Cl 270747746 SLDHSTZTSQJDQB-UHFFFAOYSA-N 293.736 -0.488 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1O 274910055 HEAFGOJFBSPVKH-UHFFFAOYSA-N 282.256 -0.377 50 20 CBGD C=CCCO[C@H](C)C(=O)NNC(=O)C(=O)NC(C)C 299316710 VNWCYHOBLSQOMF-SECBINFHSA-N 271.317 -0.360 50 20 CBGD O=C(NNC(=O)[C@H]1CN2CCCN1CC2)c1ccc[nH]1 367159985 PKOJUANBHTWSPU-LLVKDONJSA-N 277.328 -0.834 50 20 CBGD O=C(CCN1CCOC1=O)NNC(=O)CC1CC1 496294865 PLWMSQKRBAQOEF-UHFFFAOYSA-N 255.274 -0.224 50 20 CBGD O=C(CNC(=O)C1CCC1)Nc1cccc(B(O)O)c1 584911000 SXYPAUZGXCTWEA-UHFFFAOYSA-N 276.101 -0.779 50 20 CBGD CC[C@H](COC)NC(=O)c1ccc(B(O)O)cc1 584949537 MURUILVKOKBVGJ-LLVKDONJSA-N 251.091 -0.479 50 20 CBGD CC[C@@H](NC(=O)c1ccc(B(O)O)cc1)[C@H]1CCOC1 584950013 CLPUSXRXYQJSHZ-WCQYABFASA-N 277.129 -0.089 50 20 CBGD CCC(=O)N[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584972691 DSUNKMOKEWCQLO-GFCCVEGCSA-N 290.128 -0.893 50 20 CBGD CC[C@H](CC#N)NC(=O)c1cc(B(O)O)ccc1F 584976164 RJNIMKLNUFCGRM-SECBINFHSA-N 264.065 -0.072 50 20 CBGD O=C(NCC1[C@@H]2COC[C@@H]12)c1ccc(B(O)O)c(F)c1 584989068 KXNOUACGDQHFCT-UWVGGRQHSA-N 279.076 -0.872 50 20 CBGD CCn1cccc(CNCc2ccc(B(O)O)o2)c1=O 585038396 CTDWXLANMPETIA-UHFFFAOYSA-N 276.101 -0.569 50 20 CBGD OB(O)c1ccc(CNCC2=CCOCC2)c(F)c1 585043458 NBKQJWGYQPUULZ-UHFFFAOYSA-N 265.093 -0.058 50 20 CBGD O=C1[C@@H](NCc2cccc(B(O)O)c2)C[C@H]2CCCCN12 585044719 RBVMFPVAYVURNN-KGLIPLIRSA-N 288.156 -0.391 50 20 CBGD Cn1nnc2c1CC[C@@H](NCc1cccc(B(O)O)c1)C2 585046216 TZPUSJLATMOOSA-GFCCVEGCSA-N 286.144 -0.858 50 20 CBGD O=C1CCC[C@@H](c2nc(-c3ccc(B(O)O)cc3)no2)N1 585055141 RUHHIXRBGVJHEN-JTQLQIEISA-N 287.084 -0.242 50 20 CBGD O=C(NCB(O)O)[C@@H]1Cc2cc(Cl)ccc2O1 585060580 GWXQPLSKXWKIIV-VIFPVBQESA-N 255.466 -0.228 50 20 CBGD CN(CCNS(C)(=O)=O)S(=O)(=O)CCCCl 689663734 ADGNTKJBAAPDSS-UHFFFAOYSA-N 292.810 -0.574 50 20 CBGD C#Cc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)nc1 728863626 ZYZWDQXEYMYPFG-UHFFFAOYSA-N 286.291 -0.554 50 20 CBGD COCc1cc(C(=O)NNC(=O)c2c[nH]nc2C)no1 742648030 XJJJLRDKKFLJCQ-UHFFFAOYSA-N 279.256 -0.073 50 20 CBGD Cc1cccc([C@H](CC(=O)NNC(=O)CO)NC(N)=O)c1 753452324 QGJAKYIPKWECFU-JTQLQIEISA-N 294.311 -0.766 50 20 CBGD C[C@H](CNC(=O)NNC(=O)C1CCC1)S(C)(=O)=O 754130564 JAASPJAPURVRSU-SSDOTTSWSA-N 277.346 -0.450 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC[C@@H](C)C1 758050930 DKDKMTQWXXONLK-HRDYMLBCSA-N 291.373 -0.492 50 20 CBGD NC(=O)c1cc(C(=O)NNC(=O)c2ccncc2)co1 759368505 BYRJRLNCHXCYPD-UHFFFAOYSA-N 274.236 -0.152 50 20 CBGD CNC(=O)NNC(=O)c1ccc2nnc(S)n2c1 773851091 ZMICYCQBYRBRJN-UHFFFAOYSA-N 266.286 -0.408 50 20 CBGD Cc1ccc(C(=O)NNC(=O)c2nc[nH]n2)c(O)c1 781419818 UFLJQTNZHGODRH-UHFFFAOYSA-N 261.241 -0.106 50 20 CBGD CC(C)[C@H](O)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 792856400 YDHGLRBMAVRQSW-ZJUUUORDSA-N 278.374 -0.504 50 20 CBGD CN(NC(=O)CNc1ccccc1C(N)=O)C(N)=O 798302255 QMXZPTNLPLOSAE-UHFFFAOYSA-N 265.273 -0.761 50 20 CBGD O=C(CCN1CCOCC1)NNC(=O)N=c1cc[nH]cc1 802033632 HHXGRLHUUUKJDP-UHFFFAOYSA-N 293.327 -0.622 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCCC23OCCO3)cn1 806880926 BSAGMGICOMTGNN-SNVBAGLBSA-N 294.311 -0.276 50 20 CBGD C[C@H]1C[C@H](C(=O)NNC(=O)N2CCN(C)CC2)CCC1=O 807382228 BZBQBIWWCSZSEB-WDEREUQCSA-N 296.371 -0.020 50 20 CBGD C[C@H](C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)N(C)C 823015061 ZFJJVENUQCPTRZ-ZJUUUORDSA-N 277.390 -0.571 50 20 CBGD CCOC(=O)N1CSC[C@@H]1C(=O)NN(C)[C@H](C)CO 823384501 MQMNRJGEHCLSQH-RKDXNWHRSA-N 291.373 -0.138 50 20 CBGD CCN(CCO)NC(=O)CNC(=O)CCC(C)C 823856469 SQJKWUBDHCSHFD-UHFFFAOYSA-N 259.350 -0.116 50 20 CBGD COC(OC)C(=O)NNC(=O)c1cccc(F)n1 824755490 VZWCVPJITVCYEH-UHFFFAOYSA-N 257.221 -0.399 50 20 CBGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NN 825639754 SICNFPJRIXGMEF-VIFPVBQESA-N 261.289 -0.735 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 843970818 LSGRFHCLVYMWHX-VLEAKVRGSA-N 297.355 -0.150 50 20 CBGD C#CCOCCC(=O)NN(C)C(=S)NCCCOC 854283387 UHFJOJXSODSHOR-UHFFFAOYSA-N 287.385 -0.100 50 20 CBGD CC(C)CC(=O)NNC(=O)c1ccc(C(N)=O)[nH]1 856764648 JDNWNAOGKKTXNS-UHFFFAOYSA-N 252.274 -0.079 50 20 CBGD C#C[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(C)(C)C 858463210 WMWKINHKNGVXIS-IUCAKERBSA-N 280.328 -0.357 50 20 CBGD CO[C@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 858493015 ZRZVWOHZNRJNTC-DTWKUNHWSA-N 284.316 -0.980 50 20 CBGD C[C@H]1COCCCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858697501 UBOMRZYDAXLANK-IUCAKERBSA-N 284.316 -0.883 50 20 CBGD CC(C)[C@@H](CO)ONC(=O)c1cccc(B(O)O)c1 863885978 RGQGMUVAOXPBTH-LLVKDONJSA-N 267.090 -0.955 50 20 CBGD CC1(CNCc2ccccc2B(O)O)OCCO1 863888111 HKHBNXWGFDIMST-UHFFFAOYSA-N 251.091 -0.781 50 20 CBGD CN(NC(=O)C(F)(F)C(=O)NN(C)C1CC1)C1CC1 866012384 ZTNOMKIXIZMKLN-UHFFFAOYSA-N 276.287 -0.128 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@H](CCO)C1 866806922 NRGFBYTXQKJTOR-SNVBAGLBSA-N 295.119 -0.260 50 20 CBGD COCCOCC(=O)NN=C1CCN(CCO)CC1 872399908 KUMBSTWWNOQTRS-UHFFFAOYSA-N 273.333 -0.790 50 20 CBGD Cc1cccc(NNC(=O)NCC(=O)N2CCOCC2)n1 875463542 UJISFJSOXOOMSR-UHFFFAOYSA-N 293.327 -0.125 50 20 CBGD CC(C)(CNCc1ccccc1B(O)O)C(=O)O 901506782 QCDYPKRSJOCRSX-UHFFFAOYSA-N 251.091 -0.433 50 20 CBGD COCC(=O)NNC(=O)N[C@@](C)(COC)C(F)(F)F 932330065 HWBVSQWAVGMANT-QMMMGPOBSA-N 287.238 -0.069 50 20 CBGD COCC(=O)NCCC(=O)NNc1ncccn1 1115893549 GSJVTOPIHKOWGT-UHFFFAOYSA-N 253.262 -0.928 50 20 CBGD Cc1cnn(C)c1C=NNC(=O)[C@@H](C)NS(C)(=O)=O 1117132966 SUCAMWMJBPEKCN-MRVPVSSYSA-N 287.345 -0.884 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@H]1CCCOC1 1118980368 FNQZKGOVCAWSPI-SNVBAGLBSA-N 274.317 -0.387 50 20 CBGD C=CCCOCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1317990098 KDIUXRDYTTUCGP-VIFPVBQESA-N 290.341 -0.839 50 20 CBGD CC(=O)NCC(=O)NNc1nc(O)c2ccccc2n1 1319087628 FBBGBPSBTNZATM-UHFFFAOYSA-N 275.268 -0.085 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCc2n[nH]cc2C1 1319732235 DIZHYOMEUDBNGK-MRVPVSSYSA-N 293.327 -0.813 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCCC#N)cn1 1320043003 GNSBQCHMLWQRRW-UHFFFAOYSA-N 250.262 -0.332 50 20 CBGD Cc1nscc1C(=O)NNC(=O)C(=O)NC(C)C 1320807010 XTTOIWVVLDJXAZ-UHFFFAOYSA-N 270.314 -0.263 50 20 CBGD O=C1C[C@H](C(=O)NNC(=O)NCc2ccco2)CCN1 1322558050 UJALBKGMYYNXJV-MRVPVSSYSA-N 280.284 -0.364 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ncccc1O 1325874010 IHCOCCFNYMJEDR-UHFFFAOYSA-N 266.257 -0.927 50 20 CBGD COC(=O)C(=O)NNC(=O)NOCc1ccccc1OC 1326984951 WAXCSXLVZQHJKU-UHFFFAOYSA-N 297.267 -0.370 50 20 CBGD CO[C@@H](C)CS(=O)(=O)NNC(=O)c1cnn(C)c1 1327100849 DXJDZPPBIXNZJJ-ZETCQYMHSA-N 276.318 -0.981 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CCc2nncn2C1 1327853567 VKDHGZBVDFTCCG-QMMMGPOBSA-N 266.305 -0.467 50 20 CBGD CC(C)CS(=O)(=O)CC(=O)N1CC[C@H](B(O)O)C1 1329213937 BOCQEBQSEYYPAS-VIFPVBQESA-N 277.151 -0.868 50 20 CBGD C[C@H](NNC(=O)Cn1cnc([N+](=O)[O-])n1)C(F)(F)F 1329521464 IHSLOOPLZVXMIC-BYPYZUCNSA-N 282.182 -0.242 50 20 CBGD Cc1oc(S(N)(=O)=O)cc1C(=O)NNC(=O)N(C)C 1339801509 CRJRGYVKPGDWAY-UHFFFAOYSA-N 290.301 -0.849 50 20 CBGD CCOCC(=O)NNC(=O)NCc1ccc(C(N)=O)o1 1340109913 MWGNTMLESXLOMZ-UHFFFAOYSA-N 284.272 -0.755 50 20 CBGD COC(=O)N(C)NC(=O)C1CCC2(CC1)NC(=O)NC2=O 1342698465 ASAOQQLNWSPXII-UHFFFAOYSA-N 298.299 -0.516 50 20 CBGD Cc1cc(=O)cc(C)n1CCCC(=O)NNC(=O)CO 1347362877 VBFVPGSVCBGJFB-UHFFFAOYSA-N 281.312 -0.615 50 20 CBGD O=C1Cc2ccc(CC(=O)N3CC[C@H](B(O)O)C3)cc2N1 1348490573 SSPNZQAEXYWYQR-NSHDSACASA-N 288.112 -0.201 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cc2n(n1)CCC[C@@H]2N 1576271883 IWAJMAVUYFNFGB-BDAKNGLRSA-N 267.333 -0.366 50 20 CBGD C[C@]1(C(=O)NCC(=O)NCC(=O)O)C[C@@H]1Br 1593749296 LEUDYPDZRZKXPC-CDUCUWFYSA-N 293.117 -0.523 50 20 CBGD N#CSCCCNC(=O)[C@H]1CC(C(=O)O)=NO1 1594610794 FIHISGJWKVGFFW-SSDOTTSWSA-N 257.271 -0.064 50 20 CBGD COC(=O)[C@H](NNC(=O)C(=O)O)c1ccc(C#N)cc1 1598711143 YDSWQKVNHXKAQJ-SECBINFHSA-N 277.236 -0.522 50 20 CBGD CSC1(CNC(=O)NNC(=O)C(=O)O)CCC1 1599784924 BKDNWZLHROVYFS-UHFFFAOYSA-N 261.303 -0.313 50 20 CBGD Cc1nnc(NNC(=O)Nc2ccc(C(=O)O)nn2)n1C 1600798632 PJEOPDMOIQQCDF-UHFFFAOYSA-N 292.259 -0.240 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2C[C@@H](C(=O)O)C2)cn1 1600932007 IJIIZSORAXUELB-KNVOCYPGSA-N 266.257 -0.708 50 20 CBGD O=C(NNC(=O)C12CC(C(=O)O)(C1)C2)c1cc[nH]n1 1601553861 XTNAMSATQLBNJJ-UHFFFAOYSA-N 264.241 -0.574 50 20 CBGD O=C(O)C[C@@H](CNC(=O)c1cccc(B(O)O)c1)C1CC1 1601894704 OUKKVAAYEVAOCK-NSHDSACASA-N 291.112 -0.403 50 20 CBGD O=C(O)C[C@@H]1C(=O)NCCN1S(=O)(=O)CCCCl 1601939840 FIAQJNKOVMOZRS-SSDOTTSWSA-N 298.748 -0.780 50 20 CBGD COC(=O)N(C)NC(=O)NC[C@H]1CCO[C@H]1C(=O)O 1606488323 XHPHNGIWLYKJBQ-RNFRBKRXSA-N 275.261 -0.612 50 20 CBGD O=C(O)C1=CC[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1 1608586919 MVWOYLWNIJSNTB-LLVKDONJSA-N 275.069 -0.730 50 20 CBGD Cc1ccc(F)cc1NC(=O)C(=O)NNC(=O)CN(C)C 126488771 UGFPNLNVJABWQG-UHFFFAOYSA-N 296.302 -0.218 50 20 CBGD Cn1cc(C(=O)NNC(=O)C(F)(F)C2(O)CCC2)cn1 161251126 JAKKXVJKDSUMQO-UHFFFAOYSA-N 288.254 -0.269 50 20 CBGD O=C(NCCNC(=O)c1ccn[nH]1)NNC(=O)C1CCC1 272602288 UHPVQFWPGUXSEC-UHFFFAOYSA-N 294.315 -0.730 50 20 CBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2nc[nH]n2)C[C@@H](C)O1 272723653 YDPXBKQSEYGHOP-RKDXNWHRSA-N 296.331 -0.935 50 20 CBGD Cn1cnn(CC(=O)NCC(Cl)Cl)c1=O 288135597 FGOOZGSPYSNQKS-UHFFFAOYSA-N 253.089 -0.498 50 20 CBGD CCCC[C@H](NC(N)=O)C(=O)NNC(=O)C1CC1 299267168 RCELYKCRWOBJQM-QMMMGPOBSA-N 256.306 -0.229 50 20 CBGD CCc1nnsc1C(=O)NNC(=O)N1CCOCC1 299378868 MYBRCECEVHGPSC-UHFFFAOYSA-N 285.329 -0.213 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@@H]1CCC(=O)N(C)C1=O 491177649 YDDWTFOSENLOQQ-UFGYOYAJSA-N 265.269 -0.306 50 20 CBGD CCCN1C[C@@H](C(=O)NN(C)C(=O)OC)CC1=O 496554057 XNDMJTAVVDGMFT-QMMMGPOBSA-N 257.290 -0.026 50 20 CBGD O=C(NC[C@H]1CCCC[C@@H]1O)c1cccc(B(O)O)c1 584948528 CZLBLHVIKFVOSV-YPMHNXCESA-N 277.129 -0.353 50 20 CBGD CCN1C[C@H](C)N(C(=O)c2cccc(B(O)O)c2)C[C@H]1C 584968793 OASZYEUYBMOZRA-NEPJUHHUSA-N 290.172 -0.079 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 584972601 AYBFEEKJLVAQRY-WCFLWFBJSA-N 275.113 -0.791 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@H](F)C[C@@H]1CO 584978831 DMKIMIOOZHDAIG-RKDXNWHRSA-N 285.055 -0.950 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@H]2CCOC[C@@H]2C1 585004508 GMCPDQGVXDALDZ-NEPJUHHUSA-N 275.113 -0.525 50 20 CBGD CN(C)[C@@H]1CC[C@H](NC(=O)c2ccc(B(O)O)cc2)C1 585010038 HGCBVOCETBMFFF-QWHCGFSZSA-N 276.145 -0.421 50 20 CBGD CCN1CCC(NCc2ccc(B(O)O)cc2)CC1 585013896 BARFDIXLYPXTRA-UHFFFAOYSA-N 262.162 -0.060 50 20 CBGD CC[C@@H](NCc1ccc(B(O)O)o1)[C@@H](O)C(F)F 585044070 YFJCQYQCQPIFFF-VXNVDRBHSA-N 263.049 -0.546 50 20 CBGD CCO[C@@H]1COC[C@H]1NCc1ccc(B(O)O)cc1F 585044335 FXEIMZIYTDWAIH-CHWSQXEVSA-N 283.108 -0.601 50 20 CBGD CC(C)(C)N1CC[C@@H](NCc2cccc(B(O)O)c2)C1=O 585047849 HBFFQLHPXLZSGM-CYBMUJFWSA-N 290.172 -0.145 50 20 CBGD C[C@H]1CC[C@@H](NCc2ccc(B(O)O)o2)CS1(=O)=O 585048047 ZOGZRORDLCYVJE-DTWKUNHWSA-N 287.146 -0.985 50 20 CBGD O=C(NCB(O)O)c1cccc(OC[C@@H]2CCCO2)c1 585061392 WVNCIZRQEWRADQ-LBPRGKRZSA-N 279.101 -0.014 50 20 CBGD CN1N=C(C(=O)NNC(=O)Cc2cccnc2)CCC1=O 728852763 VFPUMULGMVZIOV-UHFFFAOYSA-N 289.295 -0.620 50 20 CBGD CCOCC(=O)NNC(=O)NCCCC(=O)N(C)C 731283943 JKUCNYQKKJGRID-UHFFFAOYSA-N 274.321 -0.778 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)[C@H]1CCOC1 741764449 JXKVQHRFZPJABG-BDAKNGLRSA-N 277.346 -0.547 50 20 CBGD CC(=O)NNC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 751059013 QHNMCYUUUPAVDM-CYBMUJFWSA-N 290.279 -0.478 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=S)NCCSC 752764550 PIYWGRLPOIEDCA-MRVPVSSYSA-N 295.430 -0.104 50 20 CBGD CN1C(=O)CCc2cc(C(=O)NNC(=O)CO)ccc21 753443799 BACUHOTYYCIHSQ-UHFFFAOYSA-N 277.280 -0.651 50 20 CBGD CC[C@H](C)[C@H](C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758041083 WGJZNPCBJDBEPA-CIUDSAMLSA-N 293.389 -0.246 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cncc(O)c1 758073818 NJLNCPKTEWRSDU-UHFFFAOYSA-N 261.241 -0.486 50 20 CBGD CCN1C[C@H](C)N(CC(=O)NNC(=O)C2CC2)C[C@H]1C 766252532 HFYDTKODBKGKEJ-MNOVXSKESA-N 282.388 -0.042 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1nc2ccccc2[nH]1 768504171 MHAUFTPZWRYNPZ-SSDOTTSWSA-N 297.340 -0.056 50 20 CBGD C[C@H]1CCN(CC(=O)NNC(=O)C2CC2)[C@@H](C(N)=O)C1 778296001 STYCQAUROTYILH-WCBMZHEXSA-N 282.344 -0.870 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H](C)N1CCN(C)CC1 780708442 IMJVDOHSSQSTGP-SNVBAGLBSA-N 271.365 -0.685 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC(=O)N(C2CC2)C1 790464519 MFAGXRBUPKMQRR-MRVPVSSYSA-N 268.317 -0.804 50 20 CBGD CNC(=O)C1(C(=O)NNc2nc3ccccn3n2)CC1 791243207 ODZKVYUHGMNYBV-UHFFFAOYSA-N 274.284 -0.301 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)NC2)n1 794090498 UZXPFWZPQMGWKL-VIFPVBQESA-N 276.296 -0.323 50 20 CBGD COC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)CO)CC1 798114020 LWCDLVICHRNKOV-ZKCHVHJHSA-N 258.274 -0.895 50 20 CBGD O=C(CN1CCOC[C@]12CCOC2)NNC(=O)C1CC1 799348159 ZWKAWQPZMYRTCQ-CYBMUJFWSA-N 283.328 -0.965 50 20 CBGD CC(C)(C)C(=O)NNC(=O)N1CC[C@H](S(N)(=O)=O)C1 799925150 NMVSIYTYPRMNOA-ZETCQYMHSA-N 292.361 -0.864 50 20 CBGD O=C(CN1CCOCC1)NNc1ncccc1F 804217852 JGNVHKVDZAPMRI-UHFFFAOYSA-N 254.265 -0.004 50 20 CBGD CN1CCN(C(=O)NNC(=O)CCCn2cccn2)CC1 807382586 LMDAYUGVSKTPGK-UHFFFAOYSA-N 294.359 -0.349 50 20 CBGD O=C(NCc1nnnn1C1CC1)NNc1ncncc1F 814307335 DSPQXZLPACOMDA-UHFFFAOYSA-N 293.266 -0.237 50 20 CBGD CC(=O)Nc1cccc(CC(=O)NNC(=O)CO)c1 819926278 ROXLFGZMPJIMIH-UHFFFAOYSA-N 265.269 -0.673 50 20 CBGD O=C(NNC(=O)[C@H]1CCNC1=O)NC1CCCC1 824342292 GOHPSBHMMZYSRV-QMMMGPOBSA-N 254.290 -0.605 50 20 CBGD COC[C@@H](OC)C(=O)NNc1nc(C)cc(OC)n1 829488193 QBYFUWKOKUCSCL-MRVPVSSYSA-N 270.289 -0.102 50 20 CBGD CC(C)(CC(=O)O)CC(=O)NNC(=O)C(=O)N1CCCC1 833454060 AFHYVZFCNKHQHY-UHFFFAOYSA-N 299.327 -0.353 50 20 CBGD COCCn1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)nn1 843663453 YQFTYCUILHLGNW-IUCAKERBSA-N 297.315 -0.890 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@]1(O)CCSC1 843977980 ISCNJXZJVHEERF-LAEOZQHASA-N 274.342 -0.573 50 20 CBGD C[C@H](COCC(=O)NNC(=O)CO)c1ccccc1 846636607 MOXSCFCIVGEXAT-SNVBAGLBSA-N 266.297 -0.054 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=S)N[C@H](C)C1CC1 855099173 SSWDQTIQPUMEPR-HQJQHLMTSA-N 275.374 -0.322 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)c2cccc(F)n2)C1 856425092 YSGSNNXCFKVGOP-JTQLQIEISA-N 296.302 -0.298 50 20 CBGD CCn1nncc1C(=O)NNc1nccnc1OC 857540029 PXBRXJDKMSEXON-UHFFFAOYSA-N 263.261 -0.147 50 20 CBGD CO[C@@H](C)CCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858194800 KLIDKKUBAXMARG-YUMQZZPRSA-N 272.305 -0.980 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)c2cn[nH]c2)CC1=O 862473317 NTNSWCKCCLOUTC-ZETCQYMHSA-N 265.273 -0.961 50 20 CBGD CS[C@@H](C)CC(=O)NNC(=O)CS(C)(=O)=O 863464220 KHLXVGYOYCPGOD-LURJTMIESA-N 268.360 -0.680 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H](F)c1ccccc1 863464628 JTMCSZWOAXIXRY-JTQLQIEISA-N 288.300 -0.111 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@@H]1CCCNC1=O 869020803 NEVHGYPENWOMRK-RXMQYKEDSA-N 267.207 -0.388 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccc(F)cn1 869904694 FPSZQZRLKFOZGT-UHFFFAOYSA-N 271.248 -0.355 50 20 CBGD Cn1c(=NNC(=O)CNCCN)sc2ccccc21 911947034 IIGAZSUAKQDPCN-UHFFFAOYSA-N 279.369 -0.280 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CCCCO1 1116187021 KPHYITMFTMDKAF-SSDOTTSWSA-N 259.262 -0.941 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2scnc2Cl)N1 1118883853 LFALMNZTEIVLSW-BYPYZUCNSA-N 288.716 -0.164 50 20 CBGD CC(C)(C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccn1 1118942111 CHWCGXTVQQVLFQ-SECBINFHSA-N 290.323 -0.215 50 20 CBGD CC(C)NC(=O)NNC(=O)C[C@H]1CCCS(=O)(=O)C1 1261237768 DOUFNXUBWYXOQP-SECBINFHSA-N 291.373 -0.060 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(OC)n[nH]1 1261825225 ZKWOELMPIOWOCN-UHFFFAOYSA-N 284.276 -0.951 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 1319945753 JEPTXXDTTTYWQQ-VIFPVBQESA-N 298.343 -0.636 50 20 CBGD Cc1ccnc(O)c1C(=O)NNC(=O)C(=O)N1CCCC1 1320754625 VVVMMVJMOTUAHW-UHFFFAOYSA-N 292.295 -0.521 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)Sc1nncn1C 1321694553 NMYMGBMQPUQZHK-LURJTMIESA-N 257.319 -0.147 50 20 CBGD CC(=O)NNS(=O)(=O)c1cnc2onc(C)c2c1 1325777766 ZCUPHNLVFWSQEZ-UHFFFAOYSA-N 270.270 -0.139 50 20 CBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 1326090343 ZEWVBWRYMVTURU-UHFFFAOYSA-N 293.279 -0.438 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1cncn1C 1329561144 IPUNTEJZTFLBBF-SCZZXKLOSA-N 266.301 -0.465 50 20 CBGD O=C(Cc1ncccc1F)NNC(=O)[C@H]1CCC(=O)N1 1329645011 PKUXTAMJFHIBNA-MRVPVSSYSA-N 280.259 -0.811 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)CCO1 1337274149 JDUBKQPOOOQPPA-NXEZZACHSA-N 283.328 -0.429 50 20 CBGD Cn1cc(C(=O)NNC(=O)C(C)(C)O)c(C(F)(F)F)n1 1343812884 JNKYZGXEJWHISA-UHFFFAOYSA-N 294.233 -0.029 50 20 CBGD NC1(CNC(=O)NNC(=O)CC(F)(F)F)CCOCC1 1348306510 LAXUGEBVVMDKNB-UHFFFAOYSA-N 298.265 -0.223 50 20 CBGD COC(=O)c1cccc(NNC(=O)[C@H]2COCCN2)c1 1573941431 FZHJTNZGGGKHSI-LLVKDONJSA-N 279.296 -0.095 50 20 CBGD COc1ccnc(NNC(=O)[C@@]2(C)C[C@H](O)CN2)n1 1574052316 LKSISGLGNVFIKZ-WRWORJQWSA-N 267.289 -0.959 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(=O)O)nc1 1594643467 GLKCTDDKOOXCGS-IONNQARKSA-N 293.279 -0.034 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)oc1C(=O)O 1600095834 SVOOUYFYDLXTQY-ZCFIWIBFSA-N 295.251 -0.674 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H](C(=O)O)C(C)C)n[nH]1 1605120641 MVRPYRIABZNUQT-MRVPVSSYSA-N 268.273 -0.164 50 20 CBGD CCO/C=C(/C#N)C(=O)NCCN(C)CC(=O)O 1605618161 HNCCQSUDTYEHQF-HJWRWDBZSA-N 255.274 -0.437 50 20 CBGD CCCCN(C)S(=O)(=O)NNC(=O)c1cnn(C)c1 158177741 LZXKYRUVCUNJRI-UHFFFAOYSA-N 289.361 -0.369 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)c1ccccc1O 270466152 KZNVJPSLXBGZEL-ZETCQYMHSA-N 281.268 -0.102 50 20 CBGD COc1cc(C(=O)NNC(=O)[C@@H](C)O)cc(OC)c1OC 270745324 HBKGNCKULWGVMC-SSDOTTSWSA-N 298.295 -0.146 50 20 CBGD O=C1CCCC[C@@H](C(=O)NNC(=O)NC2CC2)N1 279316363 WYBUKOQUXAPYSY-QMMMGPOBSA-N 254.290 -0.462 50 20 CBGD CN1C[C@H](C(=O)NNC(=O)NCC(F)(F)F)CC1=O 281190790 KEAYWNFHRUBPOU-RXMQYKEDSA-N 282.222 -0.643 50 20 CBGD Cc1ccn(CC(=O)NNC(=O)[C@@H]2CCCO2)c(=O)c1 292097910 HLGAGGLFPNYGNN-JTQLQIEISA-N 279.296 -0.517 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)Cc1cccnc1 361683487 WNGOZJIBRMWIGJ-GFCCVEGCSA-N 292.339 -0.508 50 20 CBGD NC(=O)N1CCC[C@@H](C(=O)Nc2cccc(B(O)O)c2)C1 404958746 IXZMLPVOXAIXGM-SECBINFHSA-N 291.116 -0.904 50 20 CBGD CC(C)(C)OC(=O)N1CC(O)(C(=O)NNC(=O)C2CC2)C1 497046434 OBNAPHTYFJQNPA-UHFFFAOYSA-N 299.327 -0.474 50 20 CBGD C[C@@]1(C(=O)Nc2cccc(B(O)O)c2)CCCNC1=O 584914115 PTXLFOXDEFEOSG-CYBMUJFWSA-N 276.101 -0.779 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@H](C)O1 584924418 SQZMCZAPVQJCQB-IUCAKERBSA-N 281.092 -0.245 50 20 CBGD CN1CC[C@H](CNC(=O)c2ccc(B(O)O)c(F)c2)C1 584934732 XHINIXJBZIZHQX-SECBINFHSA-N 280.108 -0.813 50 20 CBGD C[C@@H](C[S@@](C)=O)N(C)C(=O)c1ccc(B(O)O)cc1 584973104 LSGHVXRKUFRGIN-ZRNGKTOUSA-N 283.158 -0.795 50 20 CBGD O=C(N[C@H]1CCC[C@@H]1CCO)c1ccc(B(O)O)c(F)c1 584974135 MPRSNHVMPFIZSA-RNCFNFMXSA-N 295.119 -0.214 50 20 CBGD O=C(N[C@H]1CCSC1)c1cccc(B(O)O)c1 584985944 TVZZKWPUBIBWPX-JTQLQIEISA-N 251.116 -0.398 50 20 CBGD COC[C@H](C)[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F 584993203 XMTFZDWZTHVZPE-DTWKUNHWSA-N 283.108 -0.094 50 20 CBGD OB(O)c1ccc(CNc2ccn(CC(F)F)n2)o1 585031445 VEWMHASQTDSIFI-UHFFFAOYSA-N 271.032 0.033 50 20 CBGD C[C@](O)(CNCc1ccccc1B(O)O)C(F)(F)F 585031953 MKHGRAIKESTOSU-JTQLQIEISA-N 277.051 -0.231 50 20 CBGD C[C@]1(CS(=O)(=O)NCB(O)O)CC1(Cl)Cl 585057451 UVIZQDHWPORHMY-RXMQYKEDSA-N 275.950 -0.498 50 20 CBGD CC(C)c1noc(CCC(=O)NNC(=O)CN(C)C)n1 727761420 BUUQCVAMGNODMU-UHFFFAOYSA-N 283.332 -0.165 50 20 CBGD CC(=O)NCC(=O)NNC(=O)c1cccc(C#N)c1 728825185 LMOGYLONNWTUCM-UHFFFAOYSA-N 260.253 -0.545 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)NCC1CC1 732063118 LWZMTSQNBCOXKY-NSHDSACASA-N 264.329 -0.176 50 20 CBGD CC(C)N1CCCN(CC(=O)NNC(=O)C2CC2)CC1 733197746 BFMVKMGKQBOXAD-UHFFFAOYSA-N 282.388 -0.040 50 20 CBGD CCC(=O)NNS(=O)(=O)c1ccc(C(=O)O)o1 736847015 JBTUXUQIPXSHBR-UHFFFAOYSA-N 262.243 -0.303 50 20 CBGD CCOCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 742421061 HGZUVSRIQNZAKM-QMMMGPOBSA-N 272.305 -0.978 50 20 CBGD NS(=O)(=O)c1ccc(O)c(C(=O)NNC(=O)C2CC2)c1 747336428 HCIBSZUJSFOPBZ-UHFFFAOYSA-N 299.308 -0.789 50 20 CBGD C#CCCCNC(=O)NNC(=O)[C@H](C)OCCOC 748635592 PNXQUODQWNQRKH-JTQLQIEISA-N 271.317 -0.218 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCCC2(C1)OCCO2 761687751 KRDBJWBKTXVKSJ-SNVBAGLBSA-N 285.344 -0.229 50 20 CBGD CO[C@@]1(CNC(=O)NNc2cccnn2)CCOC1 763714454 VXHDRDKVMGPTIA-LLVKDONJSA-N 267.289 -0.092 50 20 CBGD O=C1CC[C@]2(C(=O)NNc3cnccn3)SCCN12 775281274 QFMRZTCOXAJYQX-LLVKDONJSA-N 279.325 -0.015 50 20 CBGD CN(NC(=O)Cc1n[nH]c2c1CCCC2)C(N)=O 777282858 VMSNMKVQUPTYTP-UHFFFAOYSA-N 251.290 -0.127 50 20 CBGD COc1cccc(NNC(=O)[C@H]2CN3CCCN2CC3)n1 780774785 PLHRHUULJIDEQH-LLVKDONJSA-N 291.355 -0.077 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)c1ccccc1OC 780934780 NOWXHPHUYJGOEO-UHFFFAOYSA-N 279.296 -0.018 50 20 CBGD C[C@@]1(C(=O)NNC(=O)N2CCOCC2)CCCOC1 781324478 UQURGFYEBQNRKL-GFCCVEGCSA-N 271.317 -0.124 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCCN1C1CC1 787885515 BMTHPZMSZQGJMP-JTQLQIEISA-N 254.334 -0.678 50 20 CBGD COc1ccccc1C(=O)NNC(=O)C1CN(C(C)=O)C1 788449214 YCOCRCMGLKZGLJ-UHFFFAOYSA-N 291.307 -0.066 50 20 CBGD CC(=O)c1c[nH]c(C(=O)NNC(=O)CN2CCCC2=O)c1 789858309 TZFPWUHCRMJWQD-UHFFFAOYSA-N 292.295 -0.399 50 20 CBGD N#CCC1(CNC(=O)NNC(=O)C(=O)N2CCCC2)CC1 797565013 SGAAFIZKZFJPHO-UHFFFAOYSA-N 293.327 -0.367 50 20 CBGD Cn1ccc(CC(=O)NNC(=O)N=c2cc[nH]cc2)n1 802032054 PPXMEIKITBOXHV-UHFFFAOYSA-N 274.284 -0.368 50 20 CBGD CSc1cccc(NC(=O)NNC(=O)CO)n1 806783552 DMUDNMWPBPOEAT-UHFFFAOYSA-N 256.287 -0.052 50 20 CBGD COCCC(COC)=NNC(=O)[C@@H]1CCS(=O)(=O)C1 812224110 AVGOQRWRJHUUDX-SECBINFHSA-N 292.357 -0.424 50 20 CBGD CNC(=O)NNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F 821634039 PGPXBAZLCPOPOH-UHFFFAOYSA-N 297.225 -0.281 50 20 CBGD O=C(NN=Cc1ccc(-c2nn[nH]n2)o1)N1CCOCC1 823273776 XPGLFTVLCFKBAH-UHFFFAOYSA-N 291.271 -0.165 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cn(-c2cccnc2)nn1 823917617 LGIJHFDLBGFHDK-VIFPVBQESA-N 276.300 -0.380 50 20 CBGD C[C@@H](CN(C)C)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 827071348 DBNXYBJLJLWXMC-AEJSXWLSSA-N 272.349 -0.308 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cncnc1 843655163 IFDNNNRTXUPOBB-CBAPKCEASA-N 250.258 -0.337 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@H]1CCCS(=O)(=O)C1 845300498 UJQKRHAZCWVOEA-VIFPVBQESA-N 289.357 -0.448 50 20 CBGD COCCN(C)NC(=O)[C@@H](C)n1cnc(C#N)n1 848377768 APEUXTWGPAMLEL-MRVPVSSYSA-N 252.278 -0.680 50 20 CBGD CN1C(=O)CC[C@@H]1CC(=O)NNC(=O)c1ccccn1 854122622 RIMVDNANBDEBPJ-SECBINFHSA-N 276.296 -0.147 50 20 CBGD CNC(=S)N(C)NC(=O)c1cnc(OC)nc1 854923709 GLCBZVRMEAWSNF-UHFFFAOYSA-N 255.303 -0.434 50 20 CBGD COCCN(C)NC(=O)c1noc2c1COCC2 857864702 JVQZGMZCSNVESF-UHFFFAOYSA-N 255.274 -0.030 50 20 CBGD CC[C@@H](C)CN(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858694924 CIGQTHFEJLNPLG-BDAKNGLRSA-N 270.333 -0.016 50 20 CBGD C[C@@H](C(=O)NNC(=O)CC1CC1)[C@@H]1CCC(=O)N1 861842275 GAXCPDLWPQCZKS-APPZFPTMSA-N 253.302 -0.151 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)C(F)(F)C(F)F)N1 862456823 UFFWOISYEHPOHD-GSVOUGTGSA-N 271.170 -0.687 50 20 CBGD CS(=O)(=O)N1CCC(=NNC(=O)c2cn[nH]c2)CC1 863154563 FWWFGWJFFPJKEY-UHFFFAOYSA-N 285.329 -0.449 50 20 CBGD COc1ccnc(C(C)=NNC(=O)CS(C)(=O)=O)c1 863184096 SYSLEQATOVRFTA-UHFFFAOYSA-N 285.325 -0.025 50 20 CBGD C#CC1CCN(C(=O)c2cccc(B(O)O)c2)CC1 863884517 MOBRPGDZJPNQGK-UHFFFAOYSA-N 257.098 -0.148 50 20 CBGD CNC(=S)N(C)NC(=O)/C=C\CN1CCOCC1 868860223 SSIIUKYADVZUKM-ARJAWSKDSA-N 272.374 -0.658 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F 874194355 IOQQQRTVSCNAJL-NTSWFWBYSA-N 296.249 -0.349 50 20 CBGD CC[C@@H](C(=O)NNC(=O)c1cccnn1)N(C)C 882057982 KPAIHXAYMGWXGG-VIFPVBQESA-N 251.290 -0.422 50 20 CBGD CCN(CC)CC(=O)NNC(=O)C1CCOCC1 883062074 PZQJKLCBOAVXJL-UHFFFAOYSA-N 257.334 -0.098 50 20 CBGD COC(OC)C(=O)NNC(=O)CNc1ccccc1 895535038 NKVNXUYSQAJNSN-UHFFFAOYSA-N 267.285 -0.135 50 20 CBGD N#Cc1ccc(NNC(=O)CN2CCNC(=O)C2)cc1 901163759 ZSGSEPGDYYQJQN-UHFFFAOYSA-N 273.296 -0.567 50 20 CBGD CNC(=S)N(C)NC(=O)CCN1C(=O)C(C)=C(C)C1=O 909994044 TXPUJDXRLQCFLO-UHFFFAOYSA-N 298.368 -0.451 50 20 CBGD C[C@@H](C(=O)N(C)CC(=O)NN(C)C[C@@H](C)O)n1cccn1 910170673 PHKNJKSQQNRCGE-MNOVXSKESA-N 297.359 -0.754 50 20 CBGD CCc1[nH]ccc1C(=O)NNC(=O)CN1CCCC1=O 913732823 KDSMOAMOMNVBRP-UHFFFAOYSA-N 278.312 -0.040 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 919879504 HXBAJVWQGJUVFO-WHFBIAKZSA-N 282.222 -0.596 50 20 CBGD Cc1nn(C)c(=O)c(C(=O)NNC(=S)NC(C)C)c1C 1116416095 GJAVQHPWZBMPHI-UHFFFAOYSA-N 297.384 -0.086 50 20 CBGD CCS(=O)(=O)NCC(=O)N1CC=C(C#N)CC1 1116516179 ZYFYHXDHLOAYCJ-UHFFFAOYSA-N 257.315 -0.392 50 20 CBGD CCO/C=C(/C#N)C(=O)NCCC(=O)NS(C)(=O)=O 1116917231 FVBCFMVWNOTTRE-FPLPWBNLSA-N 289.313 -0.988 50 20 CBGD NS(=O)(=O)CCCCCC(=O)NNc1cccnn1 1118307552 KCHRHXWPWHAYJU-UHFFFAOYSA-N 287.345 -0.231 50 20 CBGD NC(=O)C(=O)NN=Cc1ccc(C(=O)NC2CC2)cc1 1248574630 JIESSJGWYPZAIW-UHFFFAOYSA-N 274.280 -0.486 50 20 CBGD O=C(NN=C1CCS(=O)(=O)CC1)c1cc[nH]n1 1261653755 WAAFKKMZGGYDLD-UHFFFAOYSA-N 256.287 -0.296 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCCS(=O)(=O)CC1 1319940769 ZAWZZITTYIHZBY-SECBINFHSA-N 291.373 -0.947 50 20 CBGD CCc1csc(NC(=O)C(=O)NNC(C)=O)n1 1328599244 ZONSQBZVWVPMDT-UHFFFAOYSA-N 256.287 -0.189 50 20 CBGD CCc1cnc(O)c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 1329079531 ZPQQKUNHECWXAF-SECBINFHSA-N 292.295 -0.611 50 20 CBGD O=C(c1ccc(-n2cccn2)nc1)N1CC[C@H](B(O)O)C1 1329292911 NKPARBDZDVIWOA-NSHDSACASA-N 286.100 -0.044 50 20 CBGD Cc1cc(CC(=O)NN=Cc2c(C(=O)O)cnn2C)n[nH]1 1329932475 DDRPGAACPIHNRI-UHFFFAOYSA-N 290.283 -0.157 50 20 CBGD O=C(NC[C@H]1CCCCCN1)NNC(=O)C1CCNCC1 1338766537 PDAXKKDVJQAYDD-GFCCVEGCSA-N 297.403 -0.151 50 20 CBGD CC(C)[C@@H](CO)NC(=O)NNC(=O)c1cn[nH]c1 1348122694 KQVBNDYQKBQSPN-MRVPVSSYSA-N 255.278 -0.629 50 20 CBGD CS(=O)(=O)CC(=O)NNc1ncccc1C(=O)O 1574242930 OUFFYYMEEILKHE-UHFFFAOYSA-N 273.270 -0.733 50 20 CBGD O=C(Nc1cc(C(=O)O)[nH]n1)c1cccc(B(O)O)c1 1574599806 XGXOCOBDEVMOLI-UHFFFAOYSA-N 275.029 -0.960 50 20 CBGD CNC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2CCN2)cc1 1578557707 NCUKWLZDFNLBIZ-JTQLQIEISA-N 291.311 -0.439 50 20 CBGD O=C(NNC(=O)[C@]12CCC[C@H]1OCC2)[C@@H]1CCN1 1580735983 KDKGVLIPRHRKSP-SBMIAAHKSA-N 253.302 -0.545 50 20 CBGD OB(O)[C@@H]1CCN(c2ncc(-c3nn[nH]n3)cc2Cl)C1 1593497470 AHVUCJHMDDZQCX-SSDOTTSWSA-N 294.511 -0.032 50 20 CBGD O=C(NNc1ncccn1)N[C@H]1C[C@@H](C(=O)O)C1 1594781315 KKUBJXYRMNETOV-KNVOCYPGSA-N 251.246 -0.034 50 20 CBGD CCOC(=O)NNS(=O)(=O)c1cncc(C(=O)O)c1 1596664883 KESZIQBJPREWKL-UHFFFAOYSA-N 289.269 -0.281 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CC[C@@](O)(C(=O)O)C1 1596860271 IFLJRPOICDFBNE-JYKYSHPRSA-N 254.242 -0.522 50 20 CBGD C=CCNC(=S)NNC(=O)[C@](C)(OC)C(=O)O 1602722960 CPFNFPKJMPRFEB-VIFPVBQESA-N 261.303 -0.843 50 20 CBGD O=C(CCO)NNC(=O)Nc1cccnc1C(=O)O 1605682414 ZBJHTKAYNALUFV-UHFFFAOYSA-N 268.229 -0.685 50 20 CBGD O=C(O)CN1CCC[C@@H](C(=O)NNC(=O)CC2CC2)C1=O 1606253047 HNELFFCCOOPUEL-VIFPVBQESA-N 297.311 -0.743 50 20 CBGD O=C(NNC(=O)C12CC(C(=O)O)(C1)C2)c1ncon1 1608476849 ADSHTWOBFVMXOD-UHFFFAOYSA-N 266.213 -0.915 50 20 CBGD Cn1c(C=NNC(=O)CN2CCCC2=O)ccc1C(=O)O 1610597319 CHPAODKUSSTAQD-UHFFFAOYSA-N 292.295 -0.204 50 20 CBGD Cc1occc1C(=O)NNC(=O)C(=O)NC1CC1 49535999 DDUXCLFRSXZEFJ-UHFFFAOYSA-N 251.242 -0.372 50 20 CBGD Cc1ccc(CC(=O)NNC(=O)CN(C)C)cc1O 89439586 ZXHZZWJVSPFWFA-UHFFFAOYSA-N 265.313 -0.048 50 20 CBGD CN(C)C(=O)CNC(=O)NNC(=O)c1ccc(C#N)cc1 140133089 MOCRCLZSYKLUTJ-UHFFFAOYSA-N 289.295 -0.410 50 20 CBGD Cc1ccnc(O)c1C(=O)NNC(=O)c1cnn(C)c1 181097688 IQVUYUNNWIITOQ-UHFFFAOYSA-N 275.268 -0.096 50 20 CBGD Cn1cnn(CC(=O)NNc2ccccc2F)c1=O 182598572 AWDHIGRXNSIQSB-UHFFFAOYSA-N 265.248 -0.136 50 20 CBGD CSCCNC(=S)NNC(=O)C1=COCCO1 271265447 LKBVNFBHAWFKQX-UHFFFAOYSA-N 277.371 -0.267 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1nccnc1OC 274069913 JVAKAJHGEHIVSG-UHFFFAOYSA-N 283.288 -0.967 50 20 CBGD Cc1cccnc1NNC(=O)[C@@H]1CC[C@@H](C(N)=O)O1 281885481 PAYXFALTJNCBBR-IUCAKERBSA-N 264.285 -0.134 50 20 CBGD CC[C@H](NC(=O)c1cccc(B(O)O)c1)[C@H](O)C(C)C 585002401 UGCDMAQHXCWWFQ-QWHCGFSZSA-N 279.145 -0.108 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCO[C@@H]2CCC[C@@H]21 585010121 KAZRZADVJMINOT-QWHCGFSZSA-N 293.103 -0.101 50 20 CBGD C[C@@H]1COCCN1CCNCc1ccccc1B(O)O 585033099 XLBTULZIAQTMJQ-GFCCVEGCSA-N 278.161 -0.823 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCn3ccnc3C2)c(F)c1 585037322 YVXJESWHKNAADJ-GFCCVEGCSA-N 289.119 -0.193 50 20 CBGD CC(C)OCCS(=O)(=O)N1CC[C@@H](B(O)O)C1 585058515 HKVDBSPBUMVCJA-SECBINFHSA-N 265.140 -0.710 50 20 CBGD O=C(NCB(O)O)c1cnn2cc(Br)cnc12 585063402 YPBKYRHFBHIERB-UHFFFAOYSA-N 298.893 -0.766 50 20 CBGD CCOCCO[C@H](C)C(=O)NNC(=O)CN(C)C 733359264 BOODWGOLCSHUED-SECBINFHSA-N 261.322 -0.863 50 20 CBGD COCCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 736976696 OSEFOMIDNJRHBG-UHFFFAOYSA-N 290.283 -0.336 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(O)nc1 740851600 NMCZICCDCQMVMO-UHFFFAOYSA-N 294.311 -0.147 50 20 CBGD O=C(Cc1cccc([N+](=O)[O-])c1)NNC(=O)c1cnn[nH]1 742068707 MOVBPPDEUSCRIN-UHFFFAOYSA-N 290.239 -0.283 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@@H](C)COC 748635104 ZQLOGFGRIQKWHU-ZJUUUORDSA-N 291.348 -0.349 50 20 CBGD COC[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)C1CC1 749887513 WILSYJKADPCKLM-SNVBAGLBSA-N 281.316 -0.211 50 20 CBGD O=C(CO)NNC(=O)Cc1csc2nccn12 753438727 IQCJTLUNADLWQB-UHFFFAOYSA-N 254.271 -0.922 50 20 CBGD O=C(NNC(=O)C1CCC1)c1cnc2[nH]nnc2c1 755309075 FLYJIRBVEVCUOQ-UHFFFAOYSA-N 260.257 -0.086 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C(N)=O)o1 772213691 IAQQXEBRSRXQTA-ZCFIWIBFSA-N 297.267 -0.519 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1nc2c(s1)COCC2 775625057 KNBHCOLDZCQKJV-UHFFFAOYSA-N 299.356 -0.070 50 20 CBGD Cc1nn2c(C=NNC(=O)CO)c(C)nc2s1 776780840 QIUGQMVMOAFPLR-UHFFFAOYSA-N 253.287 -0.150 50 20 CBGD COC(=O)CNC(=O)NN=C(C)c1cnn(C)c1 779816434 AHWFJJGKTYYCQF-UHFFFAOYSA-N 253.262 -0.384 50 20 CBGD CN1CCN(C(=O)NNC(=O)C[C@@](C)(O)C2CC2)CC1 807381494 XAIFWOMGKPLPBG-CYBMUJFWSA-N 284.360 -0.474 50 20 CBGD Cc1ccc(NNC(=O)NCc2cnnn2C)nn1 807612750 WRFMGGDBJXOCCD-UHFFFAOYSA-N 262.277 -0.260 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ncn(C)n1 811358205 NMTZBWYQXGGLDG-QMMMGPOBSA-N 297.315 -0.446 50 20 CBGD COC(=O)Cc1occ(C)c1C(=O)NNC(=O)C(C)(C)O 813529648 FHOMPWOBOSMVFC-UHFFFAOYSA-N 298.295 -0.165 50 20 CBGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NNC(C)=O 822164371 XAHUCCFQOPZERI-SNVBAGLBSA-N 291.373 -0.252 50 20 CBGD C[C@H](NC(=O)c1ccco1)C(=O)NN(C)[C@H](C)CO 823913294 RKLRGIKSBPRHKZ-BDAKNGLRSA-N 269.301 -0.258 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CS(=O)(=O)C1CCCC1 823969964 AITXZJZERREFIS-VIFPVBQESA-N 278.374 -0.312 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CNC(=O)Cc1ccccc1 823988766 WLWGUMZMKHMQKD-NSHDSACASA-N 279.340 -0.311 50 20 CBGD O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CC(=O)N1 826937100 IVPMLPNOJMDQQM-VIFPVBQESA-N 265.244 -0.596 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCOC(C)(C)C1 827288545 ZLDVRWLQMMTAFJ-UHFFFAOYSA-N 257.334 -0.099 50 20 CBGD COC(=O)c1cccc(NC(=O)NNC(=O)CN(C)C)n1 844788185 HZEMOSKCQTYMJI-UHFFFAOYSA-N 295.299 -0.418 50 20 CBGD CC(C)NC(=O)NNC(=O)Cn1nnc2c1CCCC2 847401702 NHAKVCMPTIRJQK-UHFFFAOYSA-N 280.332 -0.104 50 20 CBGD CCOC(=O)[C@@H](CC(=O)NNC(=O)C(C)C)C(C)=O 854214052 DRENXUZDUOFUEQ-VIFPVBQESA-N 272.301 -0.052 50 20 CBGD CNC(=S)N(C)NC(=O)/C=C\c1cnn(C)c1 854928158 OEYHUVMBQIEGPQ-PLNGDYQASA-N 253.331 -0.099 50 20 CBGD CC(C)(F)CCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858611603 SDUYDBBHASCWSQ-ZETCQYMHSA-N 274.296 -0.266 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@H]2CC=CCC2)N1 858697298 OWJAPZOUWLFTNC-VHSXEESVSA-N 280.328 -0.048 50 20 CBGD Cc1ccc(C(=O)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 862450845 CHEPQOBMDKRLSE-JTQLQIEISA-N 289.291 -0.396 50 20 CBGD Cc1ccoc1CC(=O)NNC(=O)CS(C)(=O)=O 863467431 WSXUNKRDVDSSJG-UHFFFAOYSA-N 274.298 -0.677 50 20 CBGD O=C(NCC(F)(F)C(F)F)c1ccc(B(O)O)cc1 863879873 FYPBKOJFZBPUEE-UHFFFAOYSA-N 278.998 -0.003 50 20 CBGD CC1(C)CN(C(=O)c2cc(B(O)O)ccc2F)C1 863882374 YRBOCUJIUBHCSC-UHFFFAOYSA-N 251.066 -0.013 50 20 CBGD COCCOCC(=O)NNC(=O)/C=C/c1cccnc1 869911884 CSUGUPBDIFKWHF-SNAWJCMRSA-N 279.296 -0.095 50 20 CBGD C[C@@H]1[C@@H](C)N(CC(=O)NNC(=O)C2CC2)[C@H](C)C(=O)N1C 878751742 BXBYCNIERABPGX-OPRDCNLKSA-N 296.371 -0.517 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H](NC(=O)COC)C(C)C 887144250 HBDRGGMPVAHHKU-ZDUSSCGKSA-N 297.355 -0.276 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CNC(=O)OCC(F)(F)F 910163377 BNMJTZTXQCLLCY-ZCFIWIBFSA-N 287.238 -0.381 50 20 CBGD Cn1ccc(=O)n(CCCNS(=O)(=O)CCl)c1=O 918321582 CEBNMSPXYFBBMK-UHFFFAOYSA-N 295.748 -0.947 50 20 CBGD CCCNC(=O)NNC(=O)CCCN1C(=O)CN(C)C1=O 921042152 CDRSMWMCGQAKTA-UHFFFAOYSA-N 299.331 -0.599 50 20 CBGD COCCOCC(=O)NC1CCC(C(=O)NN)CC1 1118121558 XFVSQOZJNXPJBJ-UHFFFAOYSA-N 273.333 -0.686 50 20 CBGD COC(=O)C(=O)NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2 1252511596 RVKJRIAWOVQNJW-FXQIFTODSA-N 271.342 -0.157 50 20 CBGD COCCO[C@@H]1CCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1261791909 FIUXGKOIOBWCLP-SNVBAGLBSA-N 297.315 -0.499 50 20 CBGD O=C(CCOC[C@H]1CCCO1)N1CC[C@@H](B(O)O)C1 1261844438 OMVDGQSZGVATAR-GHMZBOCLSA-N 271.122 -0.353 50 20 CBGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cnccn1 1318591012 PEVMVRGTTDDUCV-SECBINFHSA-N 297.340 -0.313 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](C)Cc1c(C)noc1C 1318881955 FVUJERTVHXVQLF-ZCFIWIBFSA-N 298.299 -0.274 50 20 CBGD COc1ncc(C)cc1NC(=O)NNC(=O)CCO 1320400488 FHHHBMPQYPGBNT-UHFFFAOYSA-N 268.273 -0.066 50 20 CBGD O=C(NNC(=O)c1c[nH]nc1C1CC1)C(=O)NC1CC1 1320687077 OWCOEWIADRMBBH-UHFFFAOYSA-N 277.284 -0.673 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCc1ccc(O)nc1 1321087180 LDVZMFJFUPTIFR-UHFFFAOYSA-N 267.285 -0.362 50 20 CBGD CCOC1(CNC(=O)NNC(=O)C(=O)OC)CCCC1 1325008600 SGBXZOICSDUZJT-UHFFFAOYSA-N 287.316 -0.161 50 20 CBGD CCOC(=O)NNS(=O)(=O)c1c(N)noc1C 1325104900 ULPZLMYACCOHFL-UHFFFAOYSA-N 264.263 -0.495 50 20 CBGD O=C(NNC(=O)C1CCOCC1)c1cnn2c1OCCC2 1331290414 QLAQFZKETVAUEY-UHFFFAOYSA-N 294.311 -0.147 50 20 CBGD C[C@H](C(=O)NNC(=O)CN1CCCC1=O)c1cnn(C)c1 1333423911 IAZISAPAZDIOML-VIFPVBQESA-N 293.327 -0.707 50 20 CBGD CCn1cc(CC(=O)NNc2ccc(C(N)=O)nn2)cn1 1343198111 BHGCVVBDCOKVPR-UHFFFAOYSA-N 289.299 -0.522 50 20 CBGD O=C(NC[C@@H]1CCOC1)NNC(=O)[C@@H]1CCCCO1 1348402782 AOJVMXYLBDIORW-UWVGGRQHSA-N 271.317 -0.078 50 20 CBGD O=C(NN=Cc1cnc[nH]1)[C@@H]1CN2CCC[C@H]2CO1 1549319292 TUVHMNIYNURQDJ-QWRGUYRKSA-N 263.301 -0.277 50 20 CBGD CCO/C=C(\C#N)C(=O)NNC(=O)NC1CCNCC1 1578100106 NXDCOTNTKJDGEJ-CMDGGOBGSA-N 281.316 -0.487 50 20 CBGD NCC[C@@H](NC(=O)NNC(=O)c1ccnnc1)C(F)F 1580283273 LTFXCCOUYDZAER-SSDOTTSWSA-N 288.258 -0.597 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccc(-c2nn[nH]n2)nc1 1590000280 KAKBEVQGVQYLKS-SSDOTTSWSA-N 277.288 -0.781 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNC(=O)NC1CCCC1 1593908904 OARIGYUAIRKPRH-ZETCQYMHSA-N 259.262 -0.641 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)[C@H]1C[C@@H](C(=O)O)C1 1598396503 IIJSIUKKXMTEPY-DTORHVGOSA-N 269.301 -0.661 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccnc(C(=O)O)c1 1606002376 YGBQNNGPNMGSSP-UHFFFAOYSA-N 252.230 -0.304 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCO[C@H](C2CC2)C1 1608477559 LIDDPMHHVAVDQJ-YUMQZZPRSA-N 271.273 -0.641 50 20 CBGD COc1cc(C(C)=NNC(=O)NCC(=O)O)on1 1610290018 ZLHPIBXAVKYETP-UHFFFAOYSA-N 256.218 -0.209 50 20 CBGD NC(=O)[C@H](NNC(=O)c1cnccn1)c1ccccc1 26226140 UQHXGMCOEIUXKJ-LLVKDONJSA-N 271.280 -0.062 50 20 CBGD C[C@@]1(NNC(=O)NC[C@@H]2CCCO2)CCS(=O)(=O)C1 42867917 NWZOSTGKGVBYOH-GXSJLCMTSA-N 291.373 -0.454 50 20 CBGD O=C(NNC(=O)c1ccccc1)N[C@H]1CCS(=O)(=O)C1 42871452 NGLMDKJBDSPMEB-JTQLQIEISA-N 297.336 -0.182 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=O)c1ccccn1 49081326 NHMJGSRARYKLHB-UHFFFAOYSA-N 266.257 -0.459 50 20 CBGD O=C(NNC(=O)c1cc(-c2ccco2)[nH]n1)c1c[nH]nn1 104646519 HEVOTCMDHAAPNQ-UHFFFAOYSA-N 287.239 -0.137 50 20 CBGD CCCCOCC(=O)NNC(=O)c1cnn(C)c1 118230346 OVALJPNRKBYSEV-UHFFFAOYSA-N 254.290 -0.002 50 20 CBGD CN(C)CC(=O)NNC(=O)c1[nH]nc2c1CCCC2 171359435 FFIKKOHFGGGZLB-UHFFFAOYSA-N 265.317 -0.389 50 20 CBGD COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)CN(C)C)c1 265068725 NJNUSOFMMKJDDA-UHFFFAOYSA-N 296.283 -0.074 50 20 CBGD CCO[C@H]1C[C@@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1 269321871 SMGVIJFBKQBPOI-XPUUQOCRSA-N 292.299 -0.063 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNc1nc2ccccn2n1 365147241 FRBAXKOVNGZYQL-JTQLQIEISA-N 290.327 -0.107 50 20 CBGD N#C/C(=C/c1ccc(O)cc1)C(=O)NCCOCC(N)=O 491173904 FVTADGIPPBVGGS-XFFZJAGNSA-N 289.291 -0.083 50 20 CBGD C#CCN(C)CC(=O)NNC(=O)c1cccc(C#N)c1 491624172 GVRLBDLRRGEMAR-UHFFFAOYSA-N 270.292 -0.116 50 20 CBGD C[C@H](NC(=O)c1ccc(B(O)O)cc1)[C@@H]1CCOC1 584951348 OJGMTQQVFYBVAS-GXSJLCMTSA-N 263.102 -0.479 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 584975235 ZPZOVBUBRCKDSZ-KWBADKCTSA-N 293.103 -0.652 50 20 CBGD Cc1cn2c(n1)CC[C@@H](NCc1ccc(B(O)O)cc1)C2 585019740 HDKVQLSJMADEQW-CQSZACIVSA-N 285.156 -0.024 50 20 CBGD C[C@H](CC[S@@](C)=O)NCc1ccc(B(O)O)cc1 585031806 YMSLBOBKDPNRLA-MLCYQJTMSA-N 269.175 -0.387 50 20 CBGD OB(O)c1ccc(CNCCC2CC(O)C2)c(F)c1 585039477 VOOISEBVEOIWBC-UHFFFAOYSA-N 267.109 -0.244 50 20 CBGD O=C1CC[C@H](NCc2ccccc2B(O)O)[C@@H](C2CC2)N1 585041425 CQMDHAGAUSOPRB-DZGCQCFKSA-N 288.156 -0.487 50 20 CBGD Cc1cc(S(=O)(=O)NCB(O)O)ccc1C#N 585059691 XCMDSDHDENOALF-UHFFFAOYSA-N 254.076 -0.843 50 20 CBGD O=C(COCc1nc2ccccc2s1)NCB(O)O 585060354 FCKYWOUVXWRVKX-UHFFFAOYSA-N 280.114 -0.059 50 20 CBGD O=C([C@@H]1COCCN1CC(F)F)N1CC[C@H](B(O)O)C1 585064053 LZHNRNIUZRWGGI-IUCAKERBSA-N 292.091 -0.972 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](CNC(C)=O)C1 732198585 XTHJSBYYJMZBRX-PWSUYJOCSA-N 298.387 -0.220 50 20 CBGD CSCC[C@@H](C)NC(=O)NNC(=O)C(=O)NC1CC1 737064051 USLOTTOUEFJIAB-SSDOTTSWSA-N 288.373 -0.263 50 20 CBGD CC(=NNC(=O)C(N)=O)c1cccc(OCCN(C)C)c1 743525555 GIJAHAIQKNIHQU-UHFFFAOYSA-N 292.339 -0.048 50 20 CBGD C[C@@H]1OCCC1=NNC(=O)CSc1nnc(O)nc1O 747751563 MGVOCFIPKDNXFI-YFKPBYRVSA-N 299.312 -0.344 50 20 CBGD Cc1ccc(C(=O)NNC(=O)c2cn(C)c(=O)nc2O)o1 752781200 JCGZYJMGHNXHFR-UHFFFAOYSA-N 292.251 -0.538 50 20 CBGD O=C(NCC(F)F)C(=O)NNC(=O)c1ccccc1 753767428 CEFYWWVMJGQSIS-UHFFFAOYSA-N 271.223 -0.171 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1ccc2ncsc2c1 764421276 IXRNOOQROOTNIW-UHFFFAOYSA-N 294.292 -0.626 50 20 CBGD CCCNC(=O)NNC(=O)C(=O)N1CCC(C)CC1 767742985 XVTIAHTZQJAKQW-UHFFFAOYSA-N 270.333 -0.015 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c[nH]cc(C)c1=O 772266078 WVEFYIVLFPEGCE-QMMMGPOBSA-N 295.295 -0.214 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)NC1CCCC1 780915663 OVMYSMFOFACBJV-UHFFFAOYSA-N 256.306 -0.214 50 20 CBGD CC[C@](C)(OC)C(=O)NNC(=O)CNC(=O)c1ccco1 795065727 AZOLNOFBEKRANR-ZDUSSCGKSA-N 297.311 -0.028 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2)C1=O 802028946 GBURYOOLQXQYGH-VIFPVBQESA-N 277.284 -0.866 50 20 CBGD NC(=O)[C@H]1CC[C@H](CNC(=O)NNc2ncncc2F)O1 814312789 NFSAVSJOBMFOSH-HTRCEHHLSA-N 298.278 -0.725 50 20 CBGD CC[C@H](C)[C@H](NC(C)=O)C(=O)NN(C)[C@@H](C)CO 823922176 IMQYIAXYKQBDJR-QXEWZRGKSA-N 259.350 -0.119 50 20 CBGD CNS(=O)(=O)CCNC(=O)[C@@]1(C)C[C@H]1Br 824059126 CNDOVEKYHITKDH-SVRRBLITSA-N 299.190 -0.175 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)[C@@H]2CCNC2=O)n1 831983629 USHFPJDHWRVYNG-SCSAIBSYSA-N 270.680 -0.709 50 20 CBGD CCN1C[C@@H](NC(=O)NNC(=O)C(C)(C)C)CC1=O 836291695 HNPPWXAESJDKHZ-QMMMGPOBSA-N 270.333 -0.016 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCO[C@H]1c1ccncc1 846632950 HTISMSJSEHWWKM-YPMHNXCESA-N 292.339 -0.132 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=O)CC(F)(F)F 855001180 XBNWJSJWXZOADK-ZETCQYMHSA-N 258.196 -0.516 50 20 CBGD COC(=O)C1(C(=O)NNC(=O)c2cccc(F)n2)CC1 856422999 JXSGGHLUKAJURA-UHFFFAOYSA-N 281.243 -0.065 50 20 CBGD C[C@@]1(CNC(=O)CNC(=O)CN)C[C@H]1Br 857007998 ZQQGXRBBVOCANN-MUWHJKNJSA-N 278.150 -0.649 50 20 CBGD NCC(=O)NNC(=O)Nc1ccc2c(c1)OCCO2 857762771 BLSQVGFNAPLVHV-UHFFFAOYSA-N 266.257 -0.431 50 20 CBGD CN(C[C@@H]1CC1(C)C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858702352 IINPVDLJFHOYQW-DTWKUNHWSA-N 282.344 -0.016 50 20 CBGD O=C(CC1(O)CCCC1)NNC(=O)[C@H]1CCC(=O)N1 862455199 MYOCUVYEEZRHHQ-MRVPVSSYSA-N 269.301 -0.892 50 20 CBGD CC(C)CN1C[C@H](C(=O)NNC(=O)c2cn[nH]c2)CC1=O 862473291 MUBNVWCYQOBTHU-SECBINFHSA-N 293.327 -0.325 50 20 CBGD CS(=O)(=O)CC(=O)NN=C[C@H]1CCSC1 863186759 KOLGPPSRBYSNKG-SSDOTTSWSA-N 250.345 -0.114 50 20 CBGD CCC[C@H](OCC)C(=O)NNC(=O)CS(C)(=O)=O 863466868 DOYOSWYMULCEPL-QMMMGPOBSA-N 280.346 -0.616 50 20 CBGD C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)CN(C)C)[C@@H]1C 863864986 DSLRPSXYHDVDHJ-LOKLDPHHSA-N 257.334 -0.245 50 20 CBGD CCCN(C)CC(=O)NNC(=O)COCCOC 869909382 UGMVORSIZNOAGL-UHFFFAOYSA-N 261.322 -0.861 50 20 CBGD CC(C)C(=O)NNC(=O)c1ccc(S(N)(=O)=O)o1 917917695 SDRFUHHSQXRZTQ-UHFFFAOYSA-N 275.286 -0.656 50 20 CBGD C#CCN1CCC[C@H](NC(=O)c2cccc(B(O)O)c2)C1 923594638 MLAXXYJNCYQTGT-AWEZNQCLSA-N 286.140 -0.806 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CSCC(=O)N1 929437541 XOYZMVJUGOLDSO-ZETCQYMHSA-N 282.325 -0.982 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCN2CCCC[C@@H]12 1116181818 JEVJIXIFICCUIC-BDAKNGLRSA-N 284.316 -0.883 50 20 CBGD CS(=O)(=O)C1(C(=O)NNC(=O)N=c2cc[nH]cc2)CC1 1116936618 KHMFSHKLWCOZTJ-UHFFFAOYSA-N 298.324 -0.767 50 20 CBGD CCCN(CC)C[C@H](C)NC(=O)NNC(=O)C(=O)OC 1261212553 DOWXVOQDCLWOLP-VIFPVBQESA-N 288.348 -0.390 50 20 CBGD COCCn1cc(S(=O)(=O)NNC(=O)OC)cn1 1319376456 ZPUGWJHOUCVYNW-UHFFFAOYSA-N 278.290 -0.921 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(C)nc1 1321139686 REPBSGQGSNKGEH-UHFFFAOYSA-N 250.258 -0.114 50 20 CBGD CNC(=O)NNC(=O)c1cnn(-c2cccnc2)c1 1323836590 SUJHDVVQUMFXBA-UHFFFAOYSA-N 260.257 -0.159 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CCO[C@H](C)C1 1324804621 YWDRIYBAVODPQO-HTQZYQBOSA-N 273.289 -0.695 50 20 CBGD O=C(CCn1ccnn1)NNC(=O)Cc1cccnc1 1326147815 ZOYAZJGKCCARDZ-UHFFFAOYSA-N 274.284 -0.547 50 20 CBGD NS(=O)(=O)CCCCCC(=O)NNc1ccncn1 1326803554 IJYWPOCCGXZQMR-UHFFFAOYSA-N 287.345 -0.231 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1C=CCC1 1327774965 KHAZLPNBZQHJEG-SSDOTTSWSA-N 252.274 -0.686 50 20 CBGD Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)c1cc[nH]n1 1329353146 BZUHYQRKFCYAHR-UHFFFAOYSA-N 298.328 -0.617 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1CCCOCC1 1334930076 IWFMSUIESCHWLB-SECBINFHSA-N 267.289 -0.077 50 20 CBGD CCN(CCO)NC(=O)C(=O)c1c(C)nn(C)c1C 1336010361 FNNTWXCVSKOCHO-UHFFFAOYSA-N 268.317 -0.435 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)NC(C)(C)CC(N)=O 1337768578 YIEPWFDONGEDDN-SECBINFHSA-N 286.376 -0.188 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H]1C[C@@H](N)C1 1576903380 JADMIRSHASLQGP-AXTSPUMRSA-N 270.333 -0.521 50 20 CBGD CN1CCNC[C@@H]1C(=O)NNc1nncc(N)c1Cl 1578539112 XXNUEXQZVZUAMO-SSDOTTSWSA-N 285.739 -0.941 50 20 CBGD Cc1cc(C(=O)NNC(=O)C[C@H](N)C(F)F)n[nH]1 1579565409 LBHFMRMSHFURQR-YFKPBYRVSA-N 261.232 -0.538 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNc1ncc(Cl)cn1 1593912123 XHVRJTPTDRLJPF-YFKPBYRVSA-N 260.637 -0.327 50 20 CBGD O=C(NNC(=O)c1ccc[nH]1)Nc1ccc(C(=O)O)nn1 1601554977 LUCBNPFXRAYPBM-UHFFFAOYSA-N 290.239 -0.031 50 20 CBGD O=C(O)CCCC=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1606142686 YSBCSOFGMINIJE-MRVPVSSYSA-N 291.329 -0.287 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccncc1 5173778 CCXNTFBPBWCZTR-UHFFFAOYSA-N 288.263 -0.134 50 20 CBGD CNC(=O)NNC(=O)CNC(=O)c1cc(C)cc(C)c1 57292296 BTGMCDAAWNZPDU-UHFFFAOYSA-N 278.312 -0.007 50 20 CBGD COC(=O)NCC(=O)NNC(=O)c1ccc(C)cc1O 65088227 MNGDKLDQRIBMFD-UHFFFAOYSA-N 281.268 -0.182 50 20 CBGD O=S1(=O)C[C@H](OC2COC2)[C@@H](Br)C1 165690934 ABMHVCMPENWDBI-BQBZGAKWSA-N 271.132 -0.038 50 20 CBGD COC(C)(C)CC(=O)NNC(=O)C(=O)N1CCCC1 278837990 REQMBGHODNHYFT-UHFFFAOYSA-N 271.317 -0.429 50 20 CBGD CC[C@H](NNC(=O)CNC(=O)c1ccco1)C(=O)OC 279865737 SWBMKNUHKQLDAE-QMMMGPOBSA-N 283.284 -0.418 50 20 CBGD C[C@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)CN(C)C 280759658 QLIHMULPKSJSPM-RKDXNWHRSA-N 255.318 -0.299 50 20 CBGD CS(=O)(=O)NCCNC(=O)NNc1cccc(F)n1 286760110 XLKWURBQXIKKDS-UHFFFAOYSA-N 291.308 -0.604 50 20 CBGD C[C@H](C[S@@](C)=O)N(C)Cc1ccc(B(O)O)cc1F 399941985 OBNZTFABERZNED-AYLIAGHASA-N 287.165 -0.296 50 20 CBGD COC(=O)N(C)NC(=O)CNC(=O)c1ccc(O)cc1 496564094 KEIQXDFDFYIQIS-UHFFFAOYSA-N 281.268 -0.149 50 20 CBGD CC(C)O[C@@]1(C(=O)Nc2cccc(B(O)O)c2)CCOC1 584910370 AYBXVWIIXJTGAD-AWEZNQCLSA-N 293.128 -0.111 50 20 CBGD CN1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)C1 584933738 KKAISGRGXOBPEQ-SNVBAGLBSA-N 262.118 -0.952 50 20 CBGD CC[C@@H](C)[C@](C)(O)CNC(=O)c1cccc(B(O)O)c1 584951714 LGUPGCXZKDDNCV-QMTHXVAHSA-N 279.145 -0.107 50 20 CBGD CC[C@@H](C)[C@H](CO)NC(=O)c1ccc(B(O)O)c(F)c1 584968753 DNTWVUIUMKOLRN-PELKAZGASA-N 283.108 -0.358 50 20 CBGD CCC[C@@](C)(CO)NC(=O)c1ccc(B(O)O)cc1 584972133 NVVCZHKAQFGYGJ-ZDUSSCGKSA-N 265.118 -0.353 50 20 CBGD CC(C)[C@@H](NC(=O)c1ccc(B(O)O)cc1)c1ncon1 584983416 QPQFHGTXXKYSOB-LLVKDONJSA-N 289.100 -0.124 50 20 CBGD CC(C)C1(O)CN(C(=O)c2cc(B(O)O)ccc2F)C1 584983793 TWUDCXAZLIOBCX-UHFFFAOYSA-N 281.092 -0.652 50 20 CBGD COCC1(CNC(=O)c2ccc(B(O)O)cc2)CCC1 584986643 ISIIYYRYQAKLQW-UHFFFAOYSA-N 277.129 -0.087 50 20 CBGD O=C(N[C@H]1CCC[C@H]1CO)c1cccc(B(O)O)c1 584998714 HAAIAKSNNQIDOC-JQWIXIFHSA-N 263.102 -0.743 50 20 CBGD Cc1cn2c(n1)CC[C@H](NCc1cccc(B(O)O)c1)C2 585019694 GAGGJJGQYKLXLG-AWEZNQCLSA-N 285.156 -0.024 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCN(C3CC3)C2)o1 585022700 WSXXNAKBFDBGCT-VIFPVBQESA-N 250.107 -0.714 50 20 CBGD O=C1CCC[C@H](CNCc2ccc(B(O)O)cc2F)N1 585038550 HUJUDCDJMDKLFI-LLVKDONJSA-N 280.108 -0.736 50 20 CBGD OB(O)c1ccc(CNC2CCN([C@H]3CCOC3)CC2)o1 585049928 MFNLXBYYJLBUCJ-LBPRGKRZSA-N 294.160 -0.698 50 20 CBGD CO[C@@H]1CCCCC1=NNC(=O)[C@H](C)NS(C)(=O)=O 728434446 LSYCMGGXFYQQNF-WCBMZHEXSA-N 291.373 -0.015 50 20 CBGD NS(=O)(=O)Cc1ccc(C(=O)NNC(=O)C2CC2)cc1 746344010 MAHTXJYXWVKKGA-UHFFFAOYSA-N 297.336 -0.354 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@](F)(C(=O)OC)C1 752308341 HBIRSKPSPMEWNJ-PRHODGIISA-N 289.307 -0.481 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCCCC#N 753262015 JSVWLTAKFMUOKR-SECBINFHSA-N 272.305 -0.328 50 20 CBGD CN1CCC(=NNC(=O)Cc2cc(O)nc(S)n2)C1=O 761785625 JNJDKXRNNKLUMM-UHFFFAOYSA-N 295.324 -0.652 50 20 CBGD Cc1ccc(CCC(=O)NCC(=O)NNC(=O)CO)cc1 777781020 DVMLHMYREKGXSO-UHFFFAOYSA-N 293.323 -0.816 50 20 CBGD CC(C)(C(=O)NNC(=O)C1CC1)S(=O)(=O)C1CC1 785682678 RUBUALVXVBONIM-UHFFFAOYSA-N 274.342 -0.100 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cccc(C(N)=O)c1 787949901 QVLMZADBLXQRMA-UHFFFAOYSA-N 265.269 -0.683 50 20 CBGD CCC(CC)NC(=O)C(=O)NN=Cc1cn(C)nc1O 814222807 GGCHIIXQJWZSQD-UHFFFAOYSA-N 281.316 -0.119 50 20 CBGD Cc1cc(C)n2nc(C(=O)NN(C)[C@@H](C)CO)nc2n1 823982935 HLRFCEIQOMCKGR-VIFPVBQESA-N 278.316 -0.301 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@@H](CC(=O)O)C1 828570611 OJHFQQALYXIUKN-BDAKNGLRSA-N 287.316 -0.892 50 20 CBGD CN1CCN(CC(=O)NNC(=O)C2CC2)CC1(C)C 846888074 GBEKOWOXRYOKSB-UHFFFAOYSA-N 268.361 -0.430 50 20 CBGD COc1nccnc1NNC(=O)[C@H]1CCNC1=O 854952479 KIEKIXORNAYYEG-LURJTMIESA-N 251.246 -0.936 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@@H](O)c1cnn(C)c1)C1CC1 855097045 IGILNTUSRWTJQL-XVKPBYJWSA-N 297.384 -0.253 50 20 CBGD O=C(NNC(=O)[C@H]1CCNC1=O)c1ccccc1O 856761742 BUYDABQLKKMUBY-QMMMGPOBSA-N 263.253 -0.711 50 20 CBGD C#C[C@H](CC)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858395917 SSUNTMHVWHGVRW-HTQZYQBOSA-N 252.274 -0.993 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)[C@H]1CCOC(=O)N1 861515033 MSLLRHXASMQIAN-SCSAIBSYSA-N 284.194 -0.622 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2c(O)cccc2O)N1 863935247 NAUOMXBGOMZHNU-LURJTMIESA-N 279.252 -0.863 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@H]1CCCNC1=O 869020804 NEVHGYPENWOMRK-YFKPBYRVSA-N 267.207 -0.388 50 20 CBGD CC(C)[C@H](C(=O)NNC(=O)c1cccnn1)N(C)C 882057069 MVSBTWDPZNMECM-SNVBAGLBSA-N 265.317 -0.176 50 20 CBGD O=C(CO)NNC(=O)CC1CCN(CC(F)(F)F)CC1 897312653 JXQWYNXKLWONFH-UHFFFAOYSA-N 297.277 -0.210 50 20 CBGD C/C(Cl)=C\C(=O)NNC(=O)C(=O)N1CCCC1 900454164 KURBYJGDVWDUBR-VOTSOKGWSA-N 259.693 -0.101 50 20 CBGD COC(=O)c1ccc(C=NNC(=O)CN(C)C)nc1 901183093 DMBKHPOTVPZWKF-UHFFFAOYSA-N 264.285 -0.120 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@]12CCC(=O)N1CCS2 910175818 VCQMONBMOQXIKQ-GZMMTYOYSA-N 273.358 -0.604 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CCOC3(CCC3)C2)N1 1119492229 QSLNFRKIVNCNEX-UWVGGRQHSA-N 295.339 -0.238 50 20 CBGD CC(=O)NNC(=O)[C@H]1CC(c2cnn(C)c2)=NO1 1120480139 LKFYPSFVFNVYGG-SECBINFHSA-N 251.246 -0.920 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H](C)C[S@@](C)=O 1254637855 PVGJLUMGVJMEOF-IWEMQMMOSA-N 265.335 -0.880 50 20 CBGD C[C@H](NC(=O)NNc1cccnn1)[C@H]1CN(C)CCN1C 1263779058 XDKZPWQRWKRECU-WDEREUQCSA-N 293.375 -0.263 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1c[nH]nc1C 1318723193 UJVXISVZCMGEOL-UHFFFAOYSA-N 281.316 -0.216 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(CO)o1 1319011690 DISMFQOPNYSMFO-SSDOTTSWSA-N 289.313 -0.840 50 20 CBGD COC1(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CCC1 1319964908 SJZAWHBAAIFZTL-QMMMGPOBSA-N 290.341 -0.862 50 20 CBGD Cn1cc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)cn1 1320379027 NGOYORAMYBIFSK-UHFFFAOYSA-N 283.288 -0.086 50 20 CBGD Cc1ccc(C(=O)NCC(=O)NNC(=O)C(C)(C)O)s1 1320808868 QTZJNKILQWCDJV-UHFFFAOYSA-N 299.352 -0.295 50 20 CBGD CNc1nnc(CC(=O)NNC(=O)C2CC2)s1 1325382554 UFHCQJLGHVTATQ-UHFFFAOYSA-N 255.303 -0.320 50 20 CBGD CS(=O)(=O)c1cccc(NNC(=O)C[C@@H]2CC(=O)N2)c1 1330771708 VENXWLUPNIJHNK-VIFPVBQESA-N 297.336 -0.188 50 20 CBGD CN(C)[C@@H](C(=O)NNc1cccnn1)c1cncn1C 1331424295 FBSMUKZKAZJSAY-LLVKDONJSA-N 275.316 -0.044 50 20 CBGD CCN(C)C(=O)CNC(=O)NNC(=O)C1CCOCC1 1336945737 RGEOVBYBEXAODV-UHFFFAOYSA-N 286.332 -0.778 50 20 CBGD COCCCNC(=O)NNC(=O)CCc1ncccn1 1343689585 SOSGMJVFEOFHIT-UHFFFAOYSA-N 281.316 -0.224 50 20 CBGD CCc1c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cnn1C 1348388741 QEJXZPPGZAPASZ-QMMMGPOBSA-N 279.300 -0.978 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1nnnn1C 1521807928 WPQMBVRWWFLIAJ-XLPZGREQSA-N 297.319 -0.974 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H]1C[C@@H](N)C1 1576903383 JADMIRSHASLQGP-QEYWKRMJSA-N 270.333 -0.521 50 20 CBGD NC1(CNC(=O)NNC(=O)c2cnsn2)CCCC1 1580150154 AJWABVNQKTWOKQ-UHFFFAOYSA-N 284.345 -0.246 50 20 CBGD O=C(/C=C/[C@H]1CCCNC1)NNC(=O)C(=O)N1CCCC1 1580494005 PHDRXNMCBLWBQZ-MVIFTORASA-N 294.355 -0.688 50 20 CBGD O=C(NNC(=O)[C@@H]1[C@H]2CCNC[C@H]21)c1ncccn1 1580735987 KKLLLAVCLOFTAR-DJLDLDEBSA-N 261.285 -0.907 50 20 CBGD C[C@H](C(=O)O)C(=O)NNC(=O)c1ccccc1O 1588573809 KWZUJTJPUYWMRR-LURJTMIESA-N 252.226 -0.126 50 20 CBGD CC(C)C(=O)NNC(=O)c1cc(O)cc(-c2nn[nH]n2)c1 1589411439 QDKDVZNEWWIHIX-UHFFFAOYSA-N 290.283 -0.011 50 20 CBGD CO[C@@](C)(C(=O)O)C(=O)NN=c1cc[nH]c(C)c1 1593926091 BENWNSZYZIHDHJ-LLVKDONJSA-N 253.258 -0.255 50 20 CBGD CN(C)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)C(=O)O)C1 1598190281 JVUGTKWAWGZHEV-HTQZYQBOSA-N 272.305 -0.726 50 20 CBGD CO[C@](C)(CNC(=O)NNC(=O)C(=O)O)c1ccccc1 1599037063 PQEZVBCYIKVZLX-CYBMUJFWSA-N 295.295 -0.037 50 20 CBGD CO[C@H](CNC(=O)NNC(=O)C(=O)O)c1ccc(F)cc1 1599051541 YQENWXMERDPKBN-SECBINFHSA-N 299.258 -0.072 50 20 CBGD O=C(NCc1cccc(F)c1F)NNC(=O)C(=O)O 1601542837 VGYYKYIWIMFAKV-UHFFFAOYSA-N 273.195 -0.120 50 20 CBGD CC[C@H](CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)C(=O)O 1603560458 AEJFMSVCFWPJOT-IWSPIJDZSA-N 287.316 -0.147 50 20 CBGD C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796370909 RMOYQESMXQGPDE-JZSSXWJLSA-N 288.706 -0.256 50 20 CBGD CCNC(=O)[C@@H](C)NS(=O)(=O)CBr 127023364 WMSJSGBKVGVFNU-RXMQYKEDSA-N 273.152 -0.217 50 20 CBGD CNC(=O)NNC1=c2cccc(C(F)(F)F)c2=NC1=O 147066200 PRJURVPHNGOVAI-UHFFFAOYSA-N 286.213 -0.593 50 20 CBGD O=C(CO)NNC(=O)c1ccc(-c2ncn[nH]2)cc1 184489484 LMCGJMXWBNPZSO-UHFFFAOYSA-N 261.241 -0.775 50 20 CBGD CN(C)C(=O)NNC(=O)CNC(=O)CC(C)(C)C 194938821 PLYQRJXCCZVKDY-UHFFFAOYSA-N 258.322 -0.159 50 20 CBGD COCCOCC(=O)NNc1nccc(OC)n1 265090558 ZQUOGZDTLRCRMB-UHFFFAOYSA-N 256.262 -0.409 50 20 CBGD COc1cc(C)nc(NNC(=O)NCC(=O)NC(C)C)n1 266967770 OASUTPMAHRNNLR-UHFFFAOYSA-N 296.331 -0.056 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@H](O)c1cccnc1 271018578 KBNCPQVTTOXIAC-SECBINFHSA-N 252.274 -0.146 50 20 CBGD CN(C)C(=O)c1ccc(C(=O)NNC(=O)C(C)(C)O)cc1 276280215 PVPRHUDVVYXRPD-UHFFFAOYSA-N 293.323 -0.080 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CN1Cc2ccccc2C1=O 277911187 HWUYYLVOWPLYCO-UHFFFAOYSA-N 291.307 -0.439 50 20 CBGD COC(C)(C)CC(=O)NNC(=O)c1cnn(C)c1 278433023 ZNVHIUADQQCYIP-UHFFFAOYSA-N 254.290 -0.004 50 20 CBGD CO[C@@H](C(=O)NNC(=O)NC(C)C)c1cnn(C)c1 281532611 IGWABDSSONMVHA-SECBINFHSA-N 269.305 -0.154 50 20 CBGD CC#CC(=O)NNC(=O)CNC(=O)OC(C)(C)C 495787489 WSNRJSBNWJXATD-UHFFFAOYSA-N 255.274 -0.318 50 20 CBGD C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NNC(=O)CO 495902723 CSFHOZNFRSKRRN-SFYZADRCSA-N 289.332 -0.325 50 20 CBGD O=C(CCNC(=O)C1CCC1)Nc1cccc(B(O)O)c1 584909181 AGKXQTCQHQCPCZ-UHFFFAOYSA-N 290.128 -0.389 50 20 CBGD O=C(CCCc1cnn[nH]1)Nc1cccc(B(O)O)c1 584914221 SJFIIZDSTLZKKK-UHFFFAOYSA-N 274.089 -0.554 50 20 CBGD C[C@H](O)[C@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 584971064 KJMDTWCZNOKWIA-GXFFZTMASA-N 277.129 -0.258 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N(CCO)CC1CC1 584988373 MCHDRCYJHQGHDF-UHFFFAOYSA-N 281.092 -0.650 50 20 CBGD C[C@H](CCN(C)C)NCc1ccc(B(O)O)cc1 585021089 PCZZVRSUAGPEIY-LLVKDONJSA-N 250.151 -0.204 50 20 CBGD C[C@H]1CN(CCNCc2ccccc2B(O)O)CCO1 585022709 XASVQDYQTFKBKZ-LBPRGKRZSA-N 278.161 -0.823 50 20 CBGD CC[C@@H](C)[C@H](O)CNCc1cccc(B(O)O)c1 585023045 BOTUEJRLKLLXLO-ZWNOBZJWSA-N 251.135 -0.137 50 20 CBGD OC[C@@H](CC(F)(F)F)NCc1cccc(B(O)O)c1 585031822 KOTPXBQCAUYOTP-SNVBAGLBSA-N 277.051 -0.231 50 20 CBGD C[C@@H](C(=O)NNC(=O)CNc1ccccc1)S(C)(=O)=O 729513750 NNRHDEJJFYQDQA-VIFPVBQESA-N 299.352 -0.321 50 20 CBGD CO[C@H](C)C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 732262389 SBDLCVYDZXMUOG-GARJFASQSA-N 287.360 -0.332 50 20 CBGD O=C(NNc1ncnc2[nH]cnc12)C1=COCCO1 743469129 CIQHSKNPNRHIBU-UHFFFAOYSA-N 262.229 -0.316 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H](C)NC(C)=O)n1 746626048 SPPQEGBODPNOPC-ZETCQYMHSA-N 267.289 -0.239 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1ncc(F)cn1 760912239 SILHCRJEMLJCMI-UHFFFAOYSA-N 271.252 -0.836 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1CCN(C)C1 764469667 LJNVSVANBJVSKD-MRVPVSSYSA-N 251.290 -0.120 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1=COCCO1 771875095 NUFRSWZGCLTNOH-ZETCQYMHSA-N 272.257 -0.636 50 20 CBGD CCCCOCC(=O)NNC(=O)N1CCN(C)CC1 788166143 ISZLEILXEIWACK-UHFFFAOYSA-N 272.349 -0.209 50 20 CBGD O=C(COC(F)F)NNC(=O)N=c1cc[nH]cc1 803394121 MXTADUWQYDIMPG-UHFFFAOYSA-N 260.200 -0.105 50 20 CBGD CC(=NNC(=O)C(N)=O)c1csc(C(=O)O)c1 814696236 BNTBUNLNCRWDPI-UHFFFAOYSA-N 255.255 -0.228 50 20 CBGD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NNC(=O)CC1CC1 819140131 CUPLBJXLHDVECU-HQJQHLMTSA-N 283.328 -0.791 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCO[C@H](CF)C1 827258679 CMLQVYRMVMHFAA-AEJSXWLSSA-N 289.307 -0.178 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H](CO)C1CC1 827282041 JYYXMOGSYPMZIN-HGNGGELXSA-N 271.317 -0.487 50 20 CBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)NC1CCCC1 841387369 SKXPQPJNTBSHKA-SVRRBLITSA-N 270.289 -0.244 50 20 CBGD CSCC[C@H](O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843980323 SUESWIRRQJWYNR-VGMNWLOBSA-N 276.358 -0.327 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)N[C@H]2CCNC2)c1 851672867 WLVDYPLKYDHXAS-NSHDSACASA-N 273.296 -0.136 50 20 CBGD CO[C@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CC1 858493017 ZRZVWOHZNRJNTC-RKDXNWHRSA-N 284.316 -0.980 50 20 CBGD CC[C@@H]1OCC[C@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858536440 HUKXLIPHMBBKKQ-VGMNWLOBSA-N 284.316 -0.837 50 20 CBGD C[C@@H](NNC(=O)[C@@H](C)S(C)(=O)=O)C(F)(F)F 862308948 HDITZNZFUDMMTO-RFZPGFLSSA-N 262.253 -0.009 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1Cc2ccccc21 863463581 NQYZCIZUVGDMIS-JTQLQIEISA-N 282.321 -0.482 50 20 CBGD CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1cccc(B(O)O)c1 863876348 WCRAOAUCWZJWEV-SNVBAGLBSA-N 293.128 -0.222 50 20 CBGD COCCOCC(=O)NNC(=O)COCc1cccnc1 869906400 UZAXCQZJRIHQTL-UHFFFAOYSA-N 297.311 -0.591 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CN1CCCC1 874442086 KAADRPSOTJGZHB-UHFFFAOYSA-N 251.290 -0.425 50 20 CBGD C[C@H](NCc1ccccc1B(O)O)[C@H](O)C(F)(F)F 877693897 TYPLAXCHJIMDFT-XVKPBYJWSA-N 277.051 -0.232 50 20 CBGD Cc1nc([C@@H](C)NCc2ccc(B(O)O)cc2)n[nH]1 894778560 RVILKSHOMFVHIR-MRVPVSSYSA-N 260.106 -0.356 50 20 CBGD CN1C(=O)CN(C(=O)[C@]2(C)C[C@@H]2Br)CC1=O 908054892 KFCHYKDJSPWVFD-QUBYGPBYSA-N 289.129 -0.013 50 20 CBGD O=C(CNC(=O)N1CCCC1)NNc1ncncc1F 908370170 GFGKOBFJICYLDS-UHFFFAOYSA-N 282.279 -0.136 50 20 CBGD CNC(=O)c1ccc(C=NNC(=O)C(=O)NC2CC2)cc1 912806219 FAYSWBQLWXNPGK-UHFFFAOYSA-N 288.307 -0.225 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc(F)nc1 913730954 OOLRWEXQPZYLCG-UHFFFAOYSA-N 280.259 -0.396 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CCN(Cc2ccccc2)C1=O 930585663 JILQQKYMONALEB-NSHDSACASA-N 290.323 -0.005 50 20 CBGD CS(=O)(=O)C1(C(=O)NNC(=O)c2ccc[nH]2)CC1 1116893743 VEAQDTLFOQXMPP-UHFFFAOYSA-N 271.298 -0.647 50 20 CBGD Cc1nnc(COCC(=O)NNC(=O)C(C)(C)O)s1 1117146178 AALIKVPIPWKZKR-UHFFFAOYSA-N 288.329 -0.719 50 20 CBGD CN(C)C(=O)c1ccc(N2CC[C@@H](B(O)O)C2)nc1 1118916396 NEVIWBLVKZUEMR-SNVBAGLBSA-N 263.106 -0.164 50 20 CBGD CC[S@@](=O)CCNC(=O)NNC(=O)C1CCOCC1 1119290819 XWQSCJWPIBUCON-LJQANCHMSA-N 291.373 -0.488 50 20 CBGD CN(C)N(C(=O)CSCC#N)[C@@H]1CCS(=O)(=O)C1 1317822009 LNWSUQVTVDQRCR-SECBINFHSA-N 291.398 -0.265 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccc(OCC#N)cc1 1320249448 XPALBEWNSHKEED-UHFFFAOYSA-N 292.251 -0.085 50 20 CBGD CCn1cc(NC(=S)NNC(=O)C(=O)OC)cn1 1323496334 MRPQSDDWGKTVDI-UHFFFAOYSA-N 271.302 -0.606 50 20 CBGD O=C(NN=c1cc[nH]cc1)[C@H]1CCS(=O)(=O)C1 1323596987 ZWVKJWRITQPNAE-QMMMGPOBSA-N 255.299 -0.619 50 20 CBGD CN(Cc1cccnc1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329191651 NSZPGPANXXHBBZ-JTQLQIEISA-N 291.311 -0.467 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCc2ncncc2C1 1329807416 RJHBCYACZSIGJB-VHSXEESVSA-N 264.329 -0.075 50 20 CBGD O=C(NNC(=O)N1C[C@H]2COC[C@H]2C1)c1cccnn1 1331305275 CHCQOFVPOPZXQV-DTORHVGOSA-N 277.284 -0.591 50 20 CBGD C[C@@H](C(=O)NNC(=O)Cc1ccncc1)[C@H]1CCC(=O)N1 1331666855 RRBCVVYYBZNEQD-MWLCHTKSSA-N 290.323 -0.314 50 20 CBGD COCc1nn(C)cc1C(=O)NNC(=O)c1cn[nH]c1 1331803629 OTTNAJXGHANYQZ-UHFFFAOYSA-N 278.272 -0.636 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCc2nncn2C1 1333347662 QCLXDWHZJJKHBS-DTWKUNHWSA-N 253.306 -0.816 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)NC2CC2)o1 1334703381 GMJRZCUESKNIQR-UHFFFAOYSA-N 252.230 -0.515 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)NC(C)(C)CC(N)=O 1337768579 YIEPWFDONGEDDN-VIFPVBQESA-N 286.376 -0.188 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@]2(F)CCOC2)nn1 1342445228 LXTCVNSKPWKZLQ-JTQLQIEISA-N 269.236 -0.853 50 20 CBGD Cn1nc(C(=O)NNc2nc[nH]n2)cc1OC(F)F 1343972380 FRECGCKWSMRHKF-UHFFFAOYSA-N 273.203 -0.104 50 20 CBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)C1CCOCC1 1353559229 FRIZRISVIDCLKC-JTQLQIEISA-N 271.317 -0.669 50 20 CBGD C[C@@H](CNC(=O)NNc1cccnn1)N1CCN(C)CC1 1520190904 HCCVOZQEMRSFGK-NSHDSACASA-N 293.375 -0.261 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccoc1CC(=O)O 1592761743 HVUYJLSUFKHHDF-SSDOTTSWSA-N 256.258 -0.136 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNC(=S)NC(C)(C)C 1593912188 ZKSBEPAOCPGRHC-YFKPBYRVSA-N 263.319 -0.620 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1C[C@H]1C(=O)O 1594646439 XPVWYLFHBDXDMO-FKSUSPILSA-N 256.258 -0.721 50 20 CBGD COC(=O)N(C)NS(=O)(=O)N1CCC(C(=O)O)CC1 1598875454 FAHWEGIQZAQGHT-UHFFFAOYSA-N 295.317 -0.769 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCC[C@H]2OCC[C@H]12 1601553079 SUWCXKMPIDKAGX-BWZBUEFSSA-N 271.273 -0.641 50 20 CBGD O=C(O)CCCC(=O)NNC(=O)[C@H]1CCCCO1 1601978943 PPQRNPMXMBPLBI-MRVPVSSYSA-N 258.274 -0.042 50 20 CBGD COC(=O)CC(=O)NNc1ncccc1C(=O)O 1604293874 ZCVXEOLJVSEXDC-UHFFFAOYSA-N 253.214 -0.214 50 20 CBGD O=C(CCN1C(=O)CCC1=O)NNC(=O)NCC1CC1 49183847 XGSVYERVDNEFGY-UHFFFAOYSA-N 282.300 -0.734 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cc(C)n[nH]2)ncn1 153861192 PRRGPKSPBTXPMV-UHFFFAOYSA-N 260.257 -0.109 50 20 CBGD C=CCNC(=S)NNC(=O)Cc1nnc(NC)s1 281319597 STBNJRNWSJBOOV-UHFFFAOYSA-N 286.386 -0.196 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)C1 294043530 YNRWALAIUVEAAP-XVKPBYJWSA-N 269.301 -0.820 50 20 CBGD CC[C@H](CNC(=O)c1cccc(B(O)O)c1)OC 584990729 IZKDHXLQONHVSJ-LLVKDONJSA-N 251.091 -0.479 50 20 CBGD CC(C)n1cnc(NC(=O)c2ccc(B(O)O)c(F)c2)n1 585003569 UDMBBVARAWIMKK-UHFFFAOYSA-N 292.079 -0.070 50 20 CBGD C[C@H](O)CN(C(=O)c1cc(B(O)O)ccc1F)C1CC1 585009521 ZQAOAXARTBSRLQ-QMMMGPOBSA-N 281.092 -0.509 50 20 CBGD C[C@]1(CNCc2ccc(B(O)O)o2)CCCC[C@H]1O 585026957 UZTPNOKFPWNXPP-DGCLKSJQSA-N 267.134 -0.010 50 20 CBGD Cc1cccc(NCCNCc2ccc(B(O)O)o2)n1 585034336 ORULOECGMXQZAM-UHFFFAOYSA-N 275.117 -0.135 50 20 CBGD OB(O)c1ccc(CNCC2CCN(C3CC3)CC2)o1 585039150 OYFWEHRCATUFLJ-UHFFFAOYSA-N 278.161 -0.077 50 20 CBGD CCNC(=O)NNC(=O)C1=C(C)C(C)(C)OC1=O 727646626 BPGVPQCMRZPSRL-UHFFFAOYSA-N 255.274 -0.011 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@H](OC)C(F)(F)F 733661364 UJAVXUUGJINOFL-LURJTMIESA-N 287.238 -0.069 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H](NC(=O)O)C(C)C 737763455 YFBKFAHMFFWKAE-MRVPVSSYSA-N 290.320 -0.355 50 20 CBGD CCOCC(=O)NNC(=O)NCc1cc(C)[nH]n1 739020104 KCQSDTFIAOSESM-UHFFFAOYSA-N 255.278 -0.415 50 20 CBGD NC(=O)Cn1cc(C(=O)NNC(=O)CC2CCCC2)nn1 743326049 DTRQYRIVQKUQGG-UHFFFAOYSA-N 294.315 -0.895 50 20 CBGD O=C(NCCOC1CCC1)NNC(=O)C(=O)N1CCCC1 745904699 OBINCTRNLYVAQE-UHFFFAOYSA-N 298.343 -0.492 50 20 CBGD CNC(=O)N1CCN(CC(=O)NNC(=O)C(C)(C)C)CC1 753434214 VHMONDPLEGKCDB-UHFFFAOYSA-N 299.375 -0.863 50 20 CBGD COC(=O)C[C@@H](NCC(=O)NNC(=O)C1CC1)C1CC1 754535879 IIVORNAKRYRKEW-SNVBAGLBSA-N 283.328 -0.525 50 20 CBGD CCC(=NNC(=O)C(=O)NC1CC1)c1nccn1C 755610819 KCGRVDHBCJTDIP-UHFFFAOYSA-N 263.301 -0.071 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H](C)CS(C)(=O)=O)n[nH]1 765586775 AWODQYWIXSAKHW-LURJTMIESA-N 288.329 -0.840 50 20 CBGD COCCCNC(=O)NNc1nc(O)c2cnn(C)c2n1 769818484 LBSVQNRTUFAEPZ-UHFFFAOYSA-N 295.303 -0.269 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)C[C@H](O)C(F)(F)F 774773261 YAYCDFQOTNAOCB-ZETCQYMHSA-N 283.250 -0.601 50 20 CBGD COC(=O)CNC(=O)NN=C(C)c1cn(C)c(C)n1 800815654 JDQMHNBGWSZHRE-UHFFFAOYSA-N 267.289 -0.075 50 20 CBGD CCOC(=O)C(C)(C)CC(=O)NNC(=O)CN(C)C 806772356 PCEZDYOUIPETMT-UHFFFAOYSA-N 273.333 -0.325 50 20 CBGD CN1CCN(C(=O)NNC(=O)C[C@@H]2CCOC2)CC1 807380580 YBBMMOKWVGLGQA-JTQLQIEISA-N 270.333 -0.599 50 20 CBGD CO[C@@H](C)c1nsc(NC(=O)NNC(=O)CO)n1 809925506 MFLQYYGLKUHGCF-BYPYZUCNSA-N 275.290 -0.610 50 20 CBGD COCc1nccc(NC(=O)NNC(=O)CN(C)C)n1 825489907 QVJKLJDEIOMWFJ-UHFFFAOYSA-N 282.304 -0.663 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCc1cn[nH]c1 826822724 DPTRFEGFSRPRFC-PSASIEDQSA-N 281.316 -0.292 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@@](C)(C(N)=O)C1 827275504 VOHLRNSHKBFANJ-IGJMFERPSA-N 298.343 -0.651 50 20 CBGD C=C[C@H](O)C(=O)NNc1ncc(C(=O)OCC)c(C)n1 831780441 XEUVEKDOIMHKRF-VIFPVBQESA-N 280.284 -0.048 50 20 CBGD CC[C@H](C(=O)NNC(=O)c1cc(C)[nH]n1)[C@@H](C)O 842235670 MACVNLXUNNVJLW-SFYZADRCSA-N 254.290 -0.114 50 20 CBGD C[C@@H](COCC1CC1)NC(=O)NNC(=O)C(=O)NC1CC1 845577743 RODXTYJVHHBLOD-QMMMGPOBSA-N 298.343 -0.590 50 20 CBGD O=C(NNc1cccc(F)c1)[C@@H]1CCS(=O)(=O)N1 845854795 KZGRAYJNCNYYSF-VIFPVBQESA-N 273.289 -0.040 50 20 CBGD O=C(NC[C@H]1COCCN1)NNC(=O)C1CCC1 861682919 YLFXCVAZMVVCGM-VIFPVBQESA-N 256.306 -0.895 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)N2C[C@H]3C[C@H]2C(=O)O3)cn1 861868313 AKFMZUHAQGOORU-VPPFHXDGSA-N 272.264 -0.147 50 20 CBGD COCC1(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 862460679 JYJYFEFKMMOTSF-MRVPVSSYSA-N 269.301 -0.771 50 20 CBGD C=C(C)CNC(=S)NNC(=O)[C@H]1CCC(=O)N1 863204222 SNYHVDWDMDXZSG-SSDOTTSWSA-N 256.331 -0.664 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1C[C@@]12CCOC2 869908109 XAIITPFCKIVLGT-JOYOIKCWSA-N 272.301 -0.777 50 20 CBGD O=C(Cn1cnc2ccccc21)NNC(=O)[C@H]1C[C@@H](O)C1 873779810 ALMITJFHGWCVGL-AOOOYVTPSA-N 288.307 -0.045 50 20 CBGD CN1CCCC[C@@H](C(=O)NNC(=O)NCC2CC2)C1=O 874194455 QHADCVPCBXWADS-JTQLQIEISA-N 282.344 -0.015 50 20 CBGD CN(CCO)CCNS(=O)(=O)CBr 885804284 JRNZANLTDBYMKL-UHFFFAOYSA-N 275.168 -0.818 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)[C@@H]1COC[C@H]1O 886514116 HHMPSEBDVIYRSA-GMTAPVOTSA-N 287.360 -0.740 50 20 CBGD CN(NC(=O)CN1CSCCSC1)C(N)=O 901277660 ITKRAKAJIXLEDI-UHFFFAOYSA-N 264.376 -0.275 50 20 CBGD O=C(O)C1(CNCc2cccc(B(O)O)c2)CCC1 901675966 BBKALPBUYXUEKU-UHFFFAOYSA-N 263.102 -0.289 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cn(-c2cccnc2)nn1 910149138 HQRZRUJBZZKEDC-SECBINFHSA-N 276.300 -0.380 50 20 CBGD CN(C)C1(CNC(=O)NNC(=O)C2CCOCC2)CC1 922983540 LCOVHNLYIXHXMH-UHFFFAOYSA-N 284.360 -0.162 50 20 CBGD COC(=O)C(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1 1116187446 IWLSMUMTAIMLNZ-UHFFFAOYSA-N 282.212 -0.080 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCc2n[nH]cc2C1 1116581802 QVZAQHIXSHIYIV-MRVPVSSYSA-N 288.311 -0.372 50 20 CBGD CNc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cn1 1117332551 HAYHVXPKJUGOPD-UHFFFAOYSA-N 277.284 -0.837 50 20 CBGD CC(Cn1cncn1)=NNC(=O)[C@H]1CCC(=O)N1 1118948924 HZEBFHLMTMECHJ-MRVPVSSYSA-N 250.262 -0.951 50 20 CBGD CCNC(=O)NNC(=O)c1ccnn1CCN(C)C 1119527408 PURRNWYYTNOPTF-UHFFFAOYSA-N 268.321 -0.591 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)C1=CCOCC1 1119599527 JVPMNXWWVCGXTC-UHFFFAOYSA-N 267.285 -0.897 50 20 CBGD Cn1cc(C(=O)NNC(=O)N[C@H]2CCC[C@@H]2CCO)cn1 1255326940 FLDOSVVGDBEYSS-KOLCDFICSA-N 295.343 -0.085 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)C2(c3cccnc3)CC2)N1 1261830315 RYOGJEHBLQDQJQ-JTQLQIEISA-N 288.307 -0.461 50 20 CBGD COCC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccccn1 1319718676 HMMJYELKHFNXCO-UHFFFAOYSA-N 294.311 -0.160 50 20 CBGD COc1ccc(F)cc1NC(=O)C(=O)NNC(=O)CCO 1320358399 TXOXMGDKRWPACS-UHFFFAOYSA-N 299.258 -0.697 50 20 CBGD C[C@@H](CS(C)(=O)=O)C(=O)NNc1cccnn1 1320924484 JZHUBSVXKBVIAA-ZETCQYMHSA-N 258.303 -0.400 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cnn(CC)c1 1321139283 MQLHIMWGZNCMSM-UHFFFAOYSA-N 253.262 -0.601 50 20 CBGD NS(=O)(=O)c1ccccc1NNC(=O)c1cc[nH]n1 1322274532 ZIOOOJZEJLDIKA-UHFFFAOYSA-N 281.297 -0.186 50 20 CBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCSC1 1322587030 FHNBFBWNKBDYKY-HTQZYQBOSA-N 292.382 -0.678 50 20 CBGD COc1ccc(NC(=O)NNC(=O)CCO)c(C)n1 1323926892 HAFIICUXSQKBAA-UHFFFAOYSA-N 268.273 -0.066 50 20 CBGD Cn1nnc2c1C[C@H](C(=O)NNC(=O)CC1CC1)CC2 1327914259 UFQMKFLWLNEWEK-SECBINFHSA-N 277.328 -0.133 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@@H]2CCC(=O)C2)nn1 1329563879 FHPAKILCFZABNG-ZCFIWIBFSA-N 263.257 -0.612 50 20 CBGD O=C(NCCOCCF)NNC(=O)C1CCNCC1 1330770064 LISRPHVHGHMHCC-UHFFFAOYSA-N 276.312 -0.698 50 20 CBGD CNC(=S)N(C)NC(=O)c1cnc(O)cc1OC 1336512793 REOHZLVGVOMICD-UHFFFAOYSA-N 270.314 -0.123 50 20 CBGD CC(C)(C)OCC(=O)NNC(=O)C(=O)Nc1ccccn1 1337366683 RSRXFWJZGSFCAF-UHFFFAOYSA-N 294.311 -0.017 50 20 CBGD CNc1ncccc1C(=O)NNC(=O)N1CCN(C)CC1 1347068809 KSMLQCSUOHMFFC-UHFFFAOYSA-N 292.343 -0.275 50 20 CBGD C[C@H](NNC(=O)c1nnc(O)nc1O)C(F)(F)F 1351616499 JFPVFRCNJVXFBN-REOHCLBHSA-N 267.167 -0.532 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cnn2c1NCCC2 1528492588 INDOBUUGOSWAAZ-MRVPVSSYSA-N 253.306 -0.344 50 20 CBGD C[C@@H](CO)N(C)NC(=O)C1([C@@]2(O)CCCNC2)CCC1 1576036369 INSAWLPNCHLJIP-SMDDNHRTSA-N 285.388 -0.385 50 20 CBGD C[C@@H](N)C1(C(=O)NNC(=O)c2ccc[nH]2)CCOCC1 1576109980 WJPGLWJPYYVJFM-SECBINFHSA-N 280.328 -0.080 50 20 CBGD O=C(O)CCCNC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 1595050283 SRJUZTWSHHWKTO-HRDYMLBCSA-N 285.300 -0.251 50 20 CBGD O=C(O)Cn1cc(C(=O)NNc2ccccn2)nn1 1595143736 SRPDPPXWGDMFRD-UHFFFAOYSA-N 262.229 -0.485 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CC[C@H](C(=O)O)C1 1598662301 XCBCAGSJHZZTET-RQJHMYQMSA-N 259.331 -0.045 50 20 CBGD O=C(CSc1ccccc1O)NNC(=O)C(=O)O 1605711338 UEZDHMLEFUKONL-UHFFFAOYSA-N 270.266 -0.284 50 20 CBGD O=C(NNC(=O)c1coc(-c2nn[nH]n2)c1)NC1CC1 1606854153 HQSSCJOSVLCDQZ-UHFFFAOYSA-N 277.244 -0.434 50 20 CBGD CCCCNC(=O)NNS(=O)(=O)c1cnn(C)c1 49124610 KUMAWNLWOUKDQM-UHFFFAOYSA-N 275.334 -0.287 50 20 CBGD COCCCNC(=O)NNC(=O)C1=COCCO1 49167519 MVDRUUNGOBUQGG-UHFFFAOYSA-N 259.262 -0.759 50 20 CBGD CCN1C[C@H](C(=O)NNc2ncc(F)cn2)CC1=O 122964066 SRXCTRFZVQUWQL-SSDOTTSWSA-N 267.264 -0.073 50 20 CBGD COCCC1(C(=O)NNC(=O)CN(C)C)CCC1 131052422 RTDPBTSWTBBFJL-UHFFFAOYSA-N 257.334 -0.098 50 20 CBGD C#CCCCNC(=O)NNC(=O)CNC(=O)c1ccco1 173326192 YNZDOVZBAONHRK-UHFFFAOYSA-N 292.295 -0.247 50 20 CBGD C=CCNC(=O)CNC(=O)NNC(=O)c1ccccc1 180258381 DLZVDAPLZFXSCO-UHFFFAOYSA-N 276.296 -0.067 50 20 CBGD Cn1cnn(CC(=O)NNc2ccc(C#N)cc2)c1=O 182601048 DKFNQBDVTHSURB-UHFFFAOYSA-N 272.268 -0.403 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2CCNC2)n1 237305244 UFGTUZFEIGRZRZ-MRVPVSSYSA-N 251.290 -0.154 50 20 CBGD CN(CCOCCO)CC(=O)NNC(=O)c1ccccc1 282500859 NUDWPNZVXYYSJY-UHFFFAOYSA-N 295.339 -0.612 50 20 CBGD O=C1COc2ncc(C(=O)NN=c3cc[nH]cc3)cc2N1 367986441 MBWCVOTYDQJRCQ-UHFFFAOYSA-N 285.263 -0.014 50 20 CBGD C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(B(O)O)cc1 584957949 LAMPNHFLNXFSCO-YGRLFVJLSA-N 288.156 -0.421 50 20 CBGD CC[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@@H]1O 584968211 USQJSVJZDNFIIV-PELKAZGASA-N 281.092 -0.652 50 20 CBGD CO[C@@H](C)[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F 584991401 XZILZGPSPUGEJP-SFYZADRCSA-N 269.081 -0.341 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@@H]2CCO[C@@H]2C1 584997037 BQVMVJUIDVVYPB-QPUJVOFHSA-N 279.076 -0.634 50 20 CBGD C[C@@H](CN1CCOC[C@@H]1C)NCc1ccccc1B(O)O 585021415 KEIHWVMFONLRPK-STQMWFEESA-N 292.188 -0.435 50 20 CBGD C[C@H]1OCC[C@@H]1NCc1ccc(B(O)O)cc1F 585032604 XBCPOFIPIBZFAQ-PELKAZGASA-N 253.082 -0.228 50 20 CBGD COCCN(C)CCNC(=O)NNC(=O)CC(C)C 727033672 XRUPUMYVMQCVNY-UHFFFAOYSA-N 274.365 -0.059 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=S)NCC1CCC1 727867134 QPWZWMOWQSDRRL-ZETCQYMHSA-N 272.374 -0.194 50 20 CBGD O=C(NNS(=O)(=O)C[C@@H]1CCCO1)c1ccccn1 735645288 BMHVKLIFKXPCAI-VIFPVBQESA-N 285.325 -0.175 50 20 CBGD CN(C)c1nccc(NNC(=O)CNC(=O)C2CC2)n1 740112504 LKPGMMODCCPNQD-UHFFFAOYSA-N 278.316 -0.488 50 20 CBGD CN(CC(=O)NNc1ncnc2[nH]cnc12)C(=O)C1CC1 743468923 ACVCEHBLZNWJOH-UHFFFAOYSA-N 289.299 -0.336 50 20 CBGD CN(C)CCCNC(=S)NNC(=O)N1CCOCC1 745731051 YHFIWTZMDHGPIC-UHFFFAOYSA-N 289.405 -0.641 50 20 CBGD Cc1cccc(NC(=O)C(=O)NNC(=O)CO)c1Cl 764427606 AHRPTSBRBCOROB-UHFFFAOYSA-N 285.687 -0.273 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCC[C@@H]1C(=O)NC 766274721 FINCEGYRFNFVCS-DTWKUNHWSA-N 286.332 -0.732 50 20 CBGD CC(C)NC(=O)NNS(=O)(=O)c1cn(C)c(Cl)n1 769828637 JVTLACGUYREHRP-UHFFFAOYSA-N 295.752 -0.026 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1csc(O)n1 792149612 YNTWDDJJPLXZNW-UHFFFAOYSA-N 267.270 -0.045 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)Cc2cc[nH]n2)c[nH]1 815475296 FNDLDQKKNHSIKU-UHFFFAOYSA-N 291.267 -0.472 50 20 CBGD CC(=O)NCCN(C)C(=O)NNC(=O)C(C)(C)C 825963323 APBWDTSOVZKFOC-UHFFFAOYSA-N 258.322 -0.159 50 20 CBGD O=C(Cn1cncn1)NNc1cccc(-c2nn[nH]n2)c1 826425375 APJOYNHHUPGLPU-UHFFFAOYSA-N 285.271 -0.399 50 20 CBGD O=C(Cc1ccccc1F)NNC(=O)C[C@H]1CC(=O)N1 826937857 VPTPLIXSLVDNPC-SECBINFHSA-N 279.271 -0.206 50 20 CBGD CC(C)S(=O)(=O)CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843643474 IEFHWHYAOSOOSW-RKDXNWHRSA-N 292.357 -0.618 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cncnc1 843655166 IFDNNNRTXUPOBB-VXNVDRBHSA-N 250.258 -0.337 50 20 CBGD COCCn1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)nn1 843663451 YQFTYCUILHLGNW-DTWKUNHWSA-N 297.315 -0.890 50 20 CBGD NS(=O)(=O)C1(C(=O)NNc2ccnc(F)c2)CC1 845932120 WIADGIAZXKVLQE-UHFFFAOYSA-N 274.277 -0.515 50 20 CBGD O=CN1CCCN(S(=O)(=O)CBr)CC1 848459132 YYGCENXDIKQCKI-UHFFFAOYSA-N 285.163 -0.167 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCS1(=O)=O)c1cc[nH]n1 855356196 ICVQYPWYDXQLCV-MRVPVSSYSA-N 286.313 -0.862 50 20 CBGD C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)c1cc[nH]n1 855362387 RZBJZHAVNUBBNU-ZETCQYMHSA-N 281.316 -0.279 50 20 CBGD CCS(=O)(=O)CCNC(=O)NN=c1cc[nH]c(C)c1 860583854 CVBZXHPMPXXMFQ-UHFFFAOYSA-N 286.357 -0.127 50 20 CBGD Cc1ncc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 862452172 CKLWUWDOKNMFFN-ZCFIWIBFSA-N 268.298 -0.509 50 20 CBGD CN(C)CCCCC(=O)NNC(=O)c1cn[nH]c1 862471425 DWKSQSMXNKWNMH-UHFFFAOYSA-N 253.306 -0.097 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CCC=CO1 869907897 UDYCTHPDSANMFS-VIFPVBQESA-N 258.274 -0.511 50 20 CBGD COC(=O)N(C)NC(=O)N[C@H]1CC(=O)N(C2CC2)C1 875349818 GHOBSTDYPQSQEZ-ZETCQYMHSA-N 270.289 -0.338 50 20 CBGD CC[C@H](NC(C)=O)C(=O)NNc1ccnc(N(C)C)n1 878918085 DZUSJUFMBZZMFT-VIFPVBQESA-N 280.332 -0.100 50 20 CBGD CN1C(=O)CCC[C@H]1C(=O)NNC(=O)Cc1ccncc1 906888904 JZYKEDHCJCRFID-NSHDSACASA-N 290.323 -0.218 50 20 CBGD CCC/C=C\C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920745713 OJGPAPXEJNHFKI-XRVBUDJMSA-N 289.357 -0.140 50 20 CBGD CC(C)CCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 920855944 QKLZCTDOUQCHCK-QMMMGPOBSA-N 256.306 -0.359 50 20 CBGD Cn1nc(C(=O)NNC(=O)CC(F)(F)F)ccc1=O 1115873161 XUTLWQZUGBCHKP-UHFFFAOYSA-N 278.190 -0.506 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)c2cccnc2)cn1 1115910390 GJTHVULYTBZLHO-UHFFFAOYSA-N 285.263 -0.350 50 20 CBGD COC(=O)C(=O)NNC(=O)Nc1ccc(C#N)cc1 1116195173 DXAOQXHEIARJHI-UHFFFAOYSA-N 262.225 -0.116 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1CCC(F)(F)C1 1116290042 KOVVFXUQNKKKIS-SSDOTTSWSA-N 290.270 -0.217 50 20 CBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cnn(C)c1C 1116621322 XZEYJGKRNWYGMH-ZETCQYMHSA-N 281.316 -0.139 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CO[C@@H]2CCOC2)n1 1116882133 PMWRDUHACGIKRJ-SNVBAGLBSA-N 279.296 -0.043 50 20 CBGD C[C@@H](Cn1ccnc1)NC(=O)NNC(=O)c1cn[nH]c1 1261788390 UZEHLIANBHLPIS-QMMMGPOBSA-N 277.288 -0.361 50 20 CBGD COCCCn1cc(C(=O)NNc2nc[nH]n2)cn1 1261843064 UGXNRTXVHYRQQV-UHFFFAOYSA-N 265.277 -0.205 50 20 CBGD CCOC(=O)c1ncc(C(=O)NN(C)C(N)=O)s1 1321838375 WBXLOAPJGHJSHK-UHFFFAOYSA-N 272.286 -0.025 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCC(=O)OC(C)(C)C 1323554600 HJZUWCMGBSWPKF-UHFFFAOYSA-N 289.288 -0.778 50 20 CBGD CN(C)N(C(=O)CC1OCCO1)[C@@H]1CCS(=O)(=O)C1 1327707744 YOEIKNJTGLUHIM-SECBINFHSA-N 292.357 -0.758 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)N[C@H]1CCNC1 1327819182 OCNJEYJQNVTQDM-VIFPVBQESA-N 264.289 -0.799 50 20 CBGD O=C(O)c1ccc(C(=O)N2CC[C@@H](B(O)O)C2)nc1 1329215778 QFEPPTXASONOPB-MRVPVSSYSA-N 264.046 -0.531 50 20 CBGD CN1C(=O)CCC[C@H]1C(=O)NNc1cnnn1C 1336889419 UBOCMKLNNMAOAS-ZETCQYMHSA-N 252.278 -0.731 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCO[C@H](C)C1 1337295865 ZUMLZFVBHBGLNO-RKDXNWHRSA-N 271.317 -0.527 50 20 CBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)NCC1CC1 1345692905 UQVFLUPVCDPHQN-KOLCDFICSA-N 281.360 -0.885 50 20 CBGD COCCN(C)NC(=O)[C@@H]1CCc2nnn(C)c2C1 1346490966 FPZAIHWKNIHYLU-SECBINFHSA-N 267.333 -0.471 50 20 CBGD COC(=O)N(C)NC(=O)N[C@H](C)[C@H]1CN(C)CCN1C 1346767415 PYSRQCSIRUTRBI-NXEZZACHSA-N 287.364 -0.467 50 20 CBGD CO[C@@H]1CC[C@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 1348110799 ONEYWCYJVUBURF-YIZRAAEISA-N 284.316 -0.837 50 20 CBGD O=C1CC[C@H](C(=O)NN=Cc2cnn3cccnc23)N1 1348412835 ZDRHONNZCIUQKE-SECBINFHSA-N 272.268 -0.542 50 20 CBGD NCCC(=O)NNC(=O)C1([C@H]2CCCCO2)CCOCC1 1580281508 BYUSSHRTCPRSLN-LLVKDONJSA-N 299.371 -0.152 50 20 CBGD CNC(=O)NNC(=O)c1ccc(F)c(-c2nn[nH]n2)c1 1591212461 SHMIZXQLHUCRIO-UHFFFAOYSA-N 279.235 -0.420 50 20 CBGD C[C@H]1CCCN(C[C@H](C)NC(=O)NNC(=O)C(=O)O)C1 1594384590 WFCCXURTEWYYOW-IUCAKERBSA-N 286.332 -0.478 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccccc1CC(=O)O 1598884036 FLPJMWYRWRQDRL-UHFFFAOYSA-N 295.251 -0.361 50 20 CBGD COC(=O)c1cc(C=NNC(=O)NCC(=O)O)on1 1598928209 MHMIVBWAFGYFII-UHFFFAOYSA-N 270.201 -0.821 50 20 CBGD O=C(NC[C@H]1[C@@H](C(=O)O)C1(F)F)c1ccc(B(O)O)cc1 1601529896 STCRROZXDGJNSZ-IUCAKERBSA-N 299.038 -0.938 50 20 CBGD O=C(NN=Cc1cc(C(=O)O)no1)C(=O)NC1CC1 1601553187 WWFSVQCNWJMDDU-UHFFFAOYSA-N 266.213 -0.899 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)N2CCO[C@@H](C(=O)O)C2)cn1 1608108913 FXRXCLORKCXCBL-NEOSZVFXSA-N 290.279 -0.361 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)N[C@H]1C[C@@H](C(=O)O)C1 1608477880 OUHYOEOQGXEBOW-HRDYMLBCSA-N 285.300 -0.251 50 20 CBGD O=C(O)CSCCC(=O)NNC(=O)[C@H]1CCCCO1 1608766859 MARDZRJMFOGWLN-MRVPVSSYSA-N 290.341 -0.089 50 20 CBGD N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@H](O)C(=O)O 1610618329 GAHUARUNUUCWBD-NKLKJHRZSA-N 276.248 -0.139 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)C(=O)NC1CC1 8393359 RYBQMFFCYRQHJT-UHFFFAOYSA-N 291.307 -0.336 50 20 CBGD CN(C)CC(=O)NNC(=O)COCCc1ccccc1 113427199 DCAXJHPJQPGHHC-UHFFFAOYSA-N 279.340 -0.045 50 20 CBGD CN(C)C/C=C/C(=O)NNC(=O)c1cccn1C 265627957 IVJBZLDUWVKNKD-FNORWQNLSA-N 250.302 -0.096 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2COCCO2)n1 266695085 OJSXFKGFNANUIU-JTQLQIEISA-N 265.269 -0.434 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2COCCO2)o1 269322242 MZGRDCUEKZXLME-VIFPVBQESA-N 298.251 -0.757 50 20 CBGD C=C[C@](C)(CCOC)C(=O)NNC(=O)C(=O)NC(C)C 275648035 BQPJJSYYSRTQQS-CYBMUJFWSA-N 285.344 -0.113 50 20 CBGD CN1CC[C@H](NC(=O)NNc2nc3ccccn3n2)C1=O 276818585 GHPJZZMBTGGYPS-QMMMGPOBSA-N 289.299 -0.414 50 20 CBGD CCN(C)C(=O)[C@@H](C)NC(=O)NNC(=O)C1CCC1 276891329 LIJBRSNJXVLJCN-MRVPVSSYSA-N 270.333 -0.016 50 20 CBGD C=CCNC(=S)NNC(=O)C1CN(C(C)=O)C1 281366866 WMBHJZVVHGXLGJ-UHFFFAOYSA-N 256.331 -0.854 50 20 CBGD CN1CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)CC1=O 491163034 VDMUSUVHJWYXIO-WZUFQYTHSA-N 273.296 -0.372 50 20 CBGD O=C(NCCCN1CCCC1)c1cc(B(O)O)ccc1F 584926070 YKJGCOLTXATUGT-UHFFFAOYSA-N 294.135 -0.279 50 20 CBGD CNC(=O)[C@@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 584964613 KNZGGWRUWVNEGW-LBPRGKRZSA-N 290.128 -0.893 50 20 CBGD O=C(N[C@H]1CCO[C@@H]1C1CC1)c1cccc(B(O)O)c1 584967858 NTRZTSAODXVVBT-QWHCGFSZSA-N 275.113 -0.336 50 20 CBGD C[C@H]1C[C@@H](O)CN1C(=O)c1cc(B(O)O)ccc1F 584980143 RNORQBBTYPPIJT-IONNQARKSA-N 267.065 -0.899 50 20 CBGD C[C@H]1[C@@H](CO)CCN1C(=O)c1ccc(B(O)O)cc1 584982274 MVUYLAJJHLCNCJ-GXSJLCMTSA-N 263.102 -0.791 50 20 CBGD C[C@]12COC[C@H]1CN(C(=O)c1ccc(B(O)O)c(F)c1)C2 585008887 XZBIQBOLVFIIRM-YGRLFVJLSA-N 293.103 -0.386 50 20 CBGD OB(O)c1cccc(CN[C@H]2CCN(C3CC3)C2)c1 585021946 GEVRDISPICVVNB-ZDUSSCGKSA-N 260.146 -0.307 50 20 CBGD CN1CCC[C@H](NCc2cccc(B(O)O)c2)C1=O 585026323 LPEOCAVHCMDNDK-LBPRGKRZSA-N 262.118 -0.923 50 20 CBGD C[C@H]1C[C@@H](NCc2ccc(B(O)O)o2)CCN1C 585026619 IUKBLHAHZACQOC-UWVGGRQHSA-N 252.123 -0.468 50 20 CBGD C[C@H](NCc1cccc(B(O)O)c1)c1ncnn1C 585038199 WBIWTFVFAKFSPE-VIFPVBQESA-N 260.106 -0.654 50 20 CBGD CC(C)N1C[C@@H](CNCc2ccccc2B(O)O)CC1=O 585043760 QLOJEXCADPKCHV-GFCCVEGCSA-N 290.172 -0.287 50 20 CBGD O=S(=O)(Cc1ccccc1Cl)NCB(O)O 585056390 ULFDAWITFCXPKM-UHFFFAOYSA-N 263.511 -0.229 50 20 CBGD CC(F)(F)CCS(=O)(=O)N1CC[C@H](B(O)O)C1 585057000 GPJGCJHCRPYFKV-ZETCQYMHSA-N 271.094 -0.090 50 20 CBGD Cc1sc(S(=O)(=O)NCB(O)O)cc1[N+](=O)[O-] 585059637 VJCSXZGXWARSAO-UHFFFAOYSA-N 280.092 -0.745 50 20 CBGD Cc1ccc(NNC(=O)NC[C@H]2COCCO2)nn1 730024108 BVDYPEAZWJQIHJ-VIFPVBQESA-N 267.289 -0.173 50 20 CBGD CC(C)NC(=O)NNC(=O)CCCn1cncn1 733141756 VHYQPRKYFKLBEC-UHFFFAOYSA-N 254.294 -0.203 50 20 CBGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)[C@H]1CCOC1 741761700 GKBOGKHHTDDWMU-UWVGGRQHSA-N 289.357 -0.115 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCOC2CCC2)cn1 743696185 XFLSCSSGHCUKBI-UHFFFAOYSA-N 281.316 -0.067 50 20 CBGD CNC(=S)NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1 747724936 CBTQBQGQYLRQTJ-LPEHRKFASA-N 288.417 -0.143 50 20 CBGD O=C(CO)NNC(=O)CNc1ccccc1Cl 753443790 AJCCCHTWQCBWBU-UHFFFAOYSA-N 257.677 -0.108 50 20 CBGD CO[C@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(C)C 769803848 ZRYXUSRDTIAHRC-BDAKNGLRSA-N 292.357 -0.761 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@](C)(O)C(C)C 772367027 UMTYLJYSWGIYDA-PELKAZGASA-N 274.317 -0.118 50 20 CBGD COc1cccc([C@@H](O)C(=O)NN(C)C(N)=O)c1 778417766 FMJFEVRDLFZKLG-SECBINFHSA-N 253.258 -0.230 50 20 CBGD CCn1cc(CC(=O)NNC(=O)N2CCOCC2)cn1 780516363 WZGAHHFFFCUNML-UHFFFAOYSA-N 281.316 -0.482 50 20 CBGD NC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)C2CC2)C1 786681803 BVBBYGZSBZBGET-DTWKUNHWSA-N 253.302 -0.165 50 20 CBGD CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)C(=O)N1CCCC1 793303991 IJWGMJUIWSBKDZ-ZJUUUORDSA-N 285.344 -0.183 50 20 CBGD C[C@H]1COCCC1=NNC(=O)Cc1cc(O)nc(O)n1 794514522 CRCWZJHWOGJDAJ-ZETCQYMHSA-N 280.284 -0.041 50 20 CBGD Cc1cc(CC(=O)NN=C2C(=O)OC[C@@H]2C)n[nH]1 794886900 QADIFKJAWYEISP-LURJTMIESA-N 250.258 -0.074 50 20 CBGD C[C@@](O)(C(=O)NNC(=O)N1CCOCC1)C1CCC1 813428160 UFONFDMHMVWKIP-LBPRGKRZSA-N 271.317 -0.390 50 20 CBGD O=C(NNC(=O)[C@H]1CC(=O)N(C2CC2)C1)C1CCOCC1 818402825 DQMZKDOWNGBONN-JTQLQIEISA-N 295.339 -0.429 50 20 CBGD COCC(=O)N(C)CC(=O)NNC(=O)CC1CC1 819118457 VTGKFMCGMDWKJO-UHFFFAOYSA-N 257.290 -0.961 50 20 CBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 823475245 PFFDSLPMSWIAIT-SGIHWFKDSA-N 284.312 -0.242 50 20 CBGD CCN(CCO)NC(=O)CCCN(C)C(=O)OC 823855968 JIJIJIMEWJQAKN-UHFFFAOYSA-N 261.322 -0.190 50 20 CBGD CO[C@@H]1COC[C@H]1NC(=O)NNC(=O)N=c1cc[nH]cc1 827474430 ZBHCECYRNZEHIB-NXEZZACHSA-N 295.299 -0.747 50 20 CBGD CN(CCCC(=O)NNc1ccc(C(N)=O)nn1)C(=O)O 828285120 KICOPWLSYRTKNI-UHFFFAOYSA-N 296.287 -0.591 50 20 CBGD CN(C)S(=O)(=O)NCC(=O)NNc1ccccc1F 830770486 ANINDJUUVHFVPB-UHFFFAOYSA-N 290.320 -0.335 50 20 CBGD C[C@H](N)CNC(=O)NNC(=O)COCc1ccccc1 841989681 WDZSTIUWLWZZHW-JTQLQIEISA-N 280.328 -0.119 50 20 CBGD CC(=O)NCC(=O)NCC(=O)NNc1ccnc(Cl)c1 855468568 BJISFRHHNHCSOT-UHFFFAOYSA-N 299.718 -0.570 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)c2cccc(F)n2)C1 856424420 LGLKYMGHSZXDHX-MRVPVSSYSA-N 266.276 -0.067 50 20 CBGD Nc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc(Cl)n1 862451738 AHMHGNUKENHOOB-LURJTMIESA-N 297.702 -0.643 50 20 CBGD CC[C@H](C(=O)NNC(=O)c1cn[nH]c1)C(=O)OC 862470613 SRAIZRBVOZJCPU-SSDOTTSWSA-N 254.246 -0.630 50 20 CBGD CC(C)(C)OC(=O)NCCNCc1cccc(B(O)O)c1 863891625 VSWFNBHJCFDHPS-UHFFFAOYSA-N 294.160 -0.019 50 20 CBGD COC(=O)[C@H]1C[C@H](NCc2cccc(B(O)O)c2)C1 863891821 DAQMVTLHVHLVPD-UMSPYCQHSA-N 263.102 -0.592 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@H]2C[C@]23CCOC3)n[nH]1 869016021 YTRMICRSLCTNLD-GWCFXTLKSA-N 278.312 -0.165 50 20 CBGD COCCOCC(=O)NNC(=O)C1CC(OC)C1 869901137 NXJYTLFQODGGBH-UHFFFAOYSA-N 260.290 -0.778 50 20 CBGD Cc1cc(=NNC(=O)NCCC(=O)N(C)C)cc[nH]1 875102099 KIPNSXQTOUAVGI-UHFFFAOYSA-N 265.317 -0.084 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)C[C@H](COC)OC 882077206 CFDGBCAAVNYGEU-QMMMGPOBSA-N 283.350 -0.857 50 20 CBGD CCOCC(=O)NNC(=O)N1C2CCC1(CN)CC2 892471819 VJZFQUUSNASZSM-UHFFFAOYSA-N 270.333 -0.281 50 20 CBGD O=C1CN(CC(=O)NNc2cccc(F)n2)CCN1 908171249 NSVOUJBZOOWPHP-UHFFFAOYSA-N 267.264 -0.904 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cccc(-n2cnnn2)c1 910177417 LPWGBXAPUZQIIK-VIFPVBQESA-N 276.300 -0.380 50 20 CBGD CC(=O)N[C@H](CC(C)C)C(=O)NN(C)C[C@H](C)O 910182129 IEYBZVURGSFFLM-GXSJLCMTSA-N 259.350 -0.119 50 20 CBGD NNC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12 913081661 DRHIVMKUNUYTPT-UHFFFAOYSA-N 286.251 -0.308 50 20 CBGD Cc1ccn(C)c1C(=O)NNC(=O)CN1CCCC1=O 913732401 VBNVRTMGDMRUEH-UHFFFAOYSA-N 278.312 -0.283 50 20 CBGD O=C(NNC(=O)c1ccccc1O)c1n[nH]c(O)n1 918299144 PEKIEJMGHWOLIJ-UHFFFAOYSA-N 263.213 -0.709 50 20 CBGD O=C1CSC[C@@H](C(=O)NNC(=O)c2ccccc2F)N1 929232437 SDVNNTAFTLJYNI-VIFPVBQESA-N 297.311 -0.182 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)c2cnn(C)c2)CC1=O 1251911735 WHKJNRYYAILESG-QMMMGPOBSA-N 279.300 -0.951 50 20 CBGD CN(C[C@@H]1CCCN1C)C(=O)NNC(=O)c1cn[nH]c1 1261791984 IFMOCBXKTDQJJL-JTQLQIEISA-N 280.332 -0.210 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCCC[C@H]1CO 1261846922 COZICTYGPXOMNT-LBPRGKRZSA-N 263.102 -0.647 50 20 CBGD Cc1nnc(NNC(=O)C[C@@H]2CCCO2)nc1O 1317891838 DZTAWLIRUCWBIB-ZETCQYMHSA-N 253.262 -0.102 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)c1cnn(CC)c1 1319940537 QURMKZQOJOWZGG-UHFFFAOYSA-N 267.289 -0.222 50 20 CBGD Cc1cscc1NC(=O)C(=O)NNC(=O)CCO 1320520742 AKXPRADPHIFYAB-UHFFFAOYSA-N 271.298 -0.475 50 20 CBGD NC(=O)c1ccc(NNC(=O)C[C@H]2CCCOC2)nn1 1321548255 FCQUPJOOVXQLFG-MRVPVSSYSA-N 279.300 -0.165 50 20 CBGD CCOc1cc(C(=O)NN(C)C(=S)NC)[nH]n1 1329335099 VMTACBXHVJQIOG-UHFFFAOYSA-N 257.319 -0.111 50 20 CBGD C[C@]1(C(=O)NNC(=O)C2CCOCC2)CCOC1 1330831854 ZQQFLOLPSCKWMC-LBPRGKRZSA-N 256.302 -0.013 50 20 CBGD C=CCNC(=S)NNC(=O)c1cn(CC)nn1 1332580959 DKFCPWPUZZOOFR-UHFFFAOYSA-N 254.319 -0.407 50 20 CBGD O=C(Cc1ccccc1CO)NNC(=O)[C@@H]1CCC(=O)N1 1335330299 SKVTUKXUJWRZGB-NSHDSACASA-N 291.307 -0.853 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1c(Br)nnn1C 1350779258 ZRYHLQCOYWFLGZ-RXMQYKEDSA-N 292.137 -0.465 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCCc2nn[nH]c21 1351035228 QIOOJTKZSXYTIX-DJLDLDEBSA-N 293.327 -0.203 50 20 CBGD Cc1conc1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 1351521622 JRWAGKSIYOKKTC-ZCFIWIBFSA-N 267.245 -0.586 50 20 CBGD CCC(CC)(C(=O)O)C(=O)NNc1ccc(C(N)=O)nn1 1589475743 JJZGZNUNJOUFPO-UHFFFAOYSA-N 295.299 -0.090 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H](C(=O)O)C(C)C 1594018199 MVVUXOVMVKYINN-SECBINFHSA-N 276.289 -0.846 50 20 CBGD COCCCNC(=O)NNC(=O)c1cc(C(=O)O)no1 1599227182 OEYCJYDOSRRJGP-UHFFFAOYSA-N 286.244 -0.647 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2ncon2)oc1C(=O)O 1600095015 FRNUFUJMXZGINE-UHFFFAOYSA-N 280.196 -0.256 50 20 CBGD O=C(O)COCC(=O)NNC(=O)Cc1ccsc1 1606273008 NPMFLXVEQBSWRM-UHFFFAOYSA-N 272.282 -0.461 50 20 CBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)C(=O)O)CN1C1CC1 1609843096 AHWCRKBZFXJVMR-RQJHMYQMSA-N 270.289 -0.973 50 20 CBGD O=C(NCc1ccc(F)cn1)NNC(=O)C(=O)O 1610697480 LHGAXGHMSDTNHS-UHFFFAOYSA-N 256.193 -0.864 50 20 CBGD O=C(NN=Cc1cc(C(=O)O)co1)C(=O)NC1CC1 1776027219 KYQVKQLBYLYEBD-UHFFFAOYSA-N 265.225 -0.294 50 20 CBGD COc1ccc(CC(=O)NNC(=O)C(=O)NC2CC2)cc1 8392158 FATSPYCGQRLIJL-UHFFFAOYSA-N 291.307 -0.336 50 20 CBGD CNC(=O)NNC(=O)[C@@H](NC(C)=O)C1CCCC1 48949741 SNANHTNZMXWKOM-VIFPVBQESA-N 256.306 -0.359 50 20 CBGD Cc1sc(=O)n(CCC(=O)NN(C)C(N)=O)c1C 181088806 OYNXTBKUKARMBI-UHFFFAOYSA-N 272.330 -0.042 50 20 CBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ccncc1 263872093 ZVXDAMAPDMTENR-DTWKUNHWSA-N 263.253 -0.348 50 20 CBGD CC[C@@H](SC)C(=O)NNC(=O)C(=O)NC1CC1 269480271 LOIGEVSXTNKBBI-SSDOTTSWSA-N 259.331 -0.446 50 20 CBGD COC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)c1ccc[nH]1 285091330 NZUMKZHLSWGXNE-HTQZYQBOSA-N 265.269 -0.025 50 20 CBGD CC(C)[C@@H](O)C(=O)NNC(=O)CNC(=O)c1cccs1 285601662 LMQVDKGANVUMLK-SNVBAGLBSA-N 299.352 -0.358 50 20 CBGD CN1CCN(C(=O)NNC(=O)C2(C#N)CCC2)CC1 287805602 MQYQXKHGQFBINX-UHFFFAOYSA-N 265.317 -0.332 50 20 CBGD Cc1nonc1C(=O)NNC(=O)[C@H]1CCCCO1 295636334 SXBIOZSLFMTVTH-SSDOTTSWSA-N 254.246 -0.292 50 20 CBGD COC(=O)NNC(=O)CNC(=O)c1ccc(F)cc1 490615840 GKIIQZRKEUYTBX-UHFFFAOYSA-N 269.232 -0.057 50 20 CBGD Cc1c(/C=C(/C#N)C(=O)NCC(N)=O)cc(C#N)n1C 490637849 JULZNDZYSBXMBY-KMKOMSMNSA-N 271.280 -0.286 50 20 CBGD CN(C[C@H]1CCOC1)C(=O)c1cccc(B(O)O)c1 584961296 PTSRLBPUKUPZFQ-SNVBAGLBSA-N 263.102 -0.525 50 20 CBGD CN1CC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@H]21 584971264 NHOCSXRGKUZYNV-BXUZGUMPSA-N 288.156 -0.467 50 20 CBGD C[C@@H]1OCC[C@]1(C)NC(=O)c1ccc(B(O)O)cc1 584974319 UFPBYYDKKIZZDI-ZANVPECISA-N 263.102 -0.336 50 20 CBGD COCCN1CC[C@@H](CNCc2ccc(B(O)O)o2)C1 585020560 AZTSZIGHCHQVMZ-NSHDSACASA-N 282.149 -0.983 50 20 CBGD C[C@H](NCc1ccccc1B(O)O)[C@@H]1CN(C)CCO1 585028884 SHTYZYHGGRFJDG-FZMZJTMJSA-N 278.161 -0.825 50 20 CBGD OB(O)c1ccc(CNCCOCC2CCC2)o1 585047304 ABQXDYJWDQWHMO-UHFFFAOYSA-N 253.107 -0.134 50 20 CBGD Cc1nc(C)c(S(=O)(=O)N2CC[C@H](B(O)O)C2)s1 585057537 GRQJJEXJGLSIGZ-QMMMGPOBSA-N 290.175 -0.003 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCc1cnn(C)c1 732084356 BDXWWQZRTPDCNX-UHFFFAOYSA-N 276.300 -0.155 50 20 CBGD CC(C)NC(=O)NNC(=O)CN(C)C(=O)C1CC1 733141534 OVDINJIBQRJIGC-UHFFFAOYSA-N 256.306 -0.406 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCn2nc(C)nc2C1 750056282 GPVUKFUUHRDQHG-QMMMGPOBSA-N 280.332 -0.652 50 20 CBGD CNS(=O)(=O)CC(=O)NNC(=O)NC1CCCCC1 751568737 YFQRLQJZRFNVTN-UHFFFAOYSA-N 292.361 -0.801 50 20 CBGD CO[C@@H]1C[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1(C)C 753558770 UKRPZULVTGMVRX-RKDXNWHRSA-N 298.343 -0.591 50 20 CBGD Cn1cc(C(=O)NNC(=O)Nc2ccncn2)cn1 770769298 YMBRUDQFFFGODN-UHFFFAOYSA-N 261.245 -0.323 50 20 CBGD CO[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)C(C)C 771327007 FVVNMKDQRHLHGJ-JTQLQIEISA-N 254.290 -0.229 50 20 CBGD N#Cc1cccc(-n2ccc(C(=O)NNC(=O)CO)n2)c1 799103015 ZKXYIBZCQHKVTC-UHFFFAOYSA-N 285.263 -0.503 50 20 CBGD CN(C)C(=O)CCCC(=O)NNC(=O)N=c1cc[nH]cc1 802029110 HDYZXWQEGQXEPA-UHFFFAOYSA-N 293.327 -0.085 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 804028937 APXUVFSJKLHIHT-UHFFFAOYSA-N 296.287 -0.475 50 20 CBGD C[C@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)N1CCN(C)CC1 807380344 UTCXOTRDERADII-GHMZBOCLSA-N 296.371 -0.020 50 20 CBGD CN(C)c1ncc(C=NNC(=O)C(=O)N2CCCC2)n1C 811639665 DOKNPTGMUKASRJ-UHFFFAOYSA-N 292.343 -0.441 50 20 CBGD CC(=O)NNC(=O)c1cc(C)cc(C(=O)NNC(C)=O)c1 813363476 LEKYKHVGGAGJQK-UHFFFAOYSA-N 292.295 -0.443 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H]1CCc2nncn2C1 814271973 SAZBAOTVQFAYDC-VIFPVBQESA-N 280.332 -0.029 50 20 CBGD O=C(CN1CCCC1=O)NN=Cc1cc(CO)ccc1O 814760828 IBZZEWNEDQUXEI-UHFFFAOYSA-N 291.307 -0.043 50 20 CBGD CCN1CC[C@H](NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1=O 826732747 QPNLGNRSAHXRDC-GUBZILKMSA-N 298.343 -0.637 50 20 CBGD CC[C@@H](CO)NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 827272650 BGXBCTWVCVCJSM-XHNCKOQMSA-N 259.306 -0.487 50 20 CBGD O=C(NNc1nc[nH]n1)[C@@H]1CCCN1C(=O)C1CC1 844143522 LMZHZZBHOYEVHH-QMMMGPOBSA-N 264.289 -0.351 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2cncn2C1)c1ccnnc1 844147666 XHLJQIXHRVSXAR-JTQLQIEISA-N 286.295 -0.303 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NN(C)C(=S)NC 854924429 JMLILNHYHCAVQS-ZCFIWIBFSA-N 261.351 -0.709 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@]12CCOC2)c1cc[nH]n1 855356903 UKMFJYNZGBIPND-CPCISQLKSA-N 250.258 -0.403 50 20 CBGD CC(=O)CSCC(=O)NNC(=O)c1cc[nH]n1 855357026 XZGJEMNLBQBMNB-UHFFFAOYSA-N 256.287 -0.507 50 20 CBGD O=C(CN1CCCCC1=O)NNC(=O)c1cccc(F)n1 856421582 BVUSBZYMXMVJLU-UHFFFAOYSA-N 294.286 -0.006 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2cccc(F)c2)N1 858136751 RAVNVYYIVPLRCY-SNVBAGLBSA-N 294.286 -0.065 50 20 CBGD C[C@@H]1CSCCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 858695724 FRJDWZNRVKJNAE-HTQZYQBOSA-N 286.357 -0.557 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@H]1CCOC(=O)N1 862056851 AUZJJKQNXGRIKZ-SCSAIBSYSA-N 269.179 -0.415 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2cncn2C1)c1cn[nH]c1 862469295 FTKBUSBTOVTLJR-MRVPVSSYSA-N 274.284 -0.370 50 20 CBGD O=C1C[C@H](C(=O)NNCC(F)(F)C(F)(F)F)N1 863101830 JGGJMLNHZSSKIU-GSVOUGTGSA-N 261.150 -0.307 50 20 CBGD CC(C)OC(=O)[C@H](C)N(C)C(=O)c1ccc(B(O)O)cc1 863875748 FEMVZKNOCAVSKE-JTQLQIEISA-N 293.128 -0.222 50 20 CBGD COCCOCC(=O)NNC(=O)c1cc(C(C)C)nn1C 869909766 IXISWZGLSRHZDF-UHFFFAOYSA-N 298.343 -0.033 50 20 CBGD CN1CCO[C@@H](C(=O)NNc2ccc(F)cn2)C1 874650387 XWYUGFAJYWJNSS-SECBINFHSA-N 254.265 -0.006 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1cn(C)c(=O)n1C 900002694 RPFGCWGRVBDWBS-UHFFFAOYSA-N 277.284 -0.863 50 20 CBGD CCC(F)(F)C(=O)NNC(=O)CN1CCCC1=O 913733922 BDGALNLDIUBPLF-UHFFFAOYSA-N 263.244 -0.199 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccccc1[N+](=O)[O-] 916274289 KKMBWNQSZSMGOG-UHFFFAOYSA-N 250.214 -0.080 50 20 CBGD C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)Cc1ccncc1 926009929 MQOAZJPUZMOFAZ-KOLCDFICSA-N 278.312 -0.011 50 20 CBGD COc1ccc(C(=O)NNC(=O)c2n[nH]c(O)n2)cc1 1115871296 CAXRAWIFNRBLNO-UHFFFAOYSA-N 277.240 -0.406 50 20 CBGD NC(=O)C(=O)NN=Cc1cccc(OCC(=O)O)c1 1116052924 GOGZXCJZEMCGRQ-UHFFFAOYSA-N 265.225 -0.915 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](C)c1nnc(C)s1 1116578717 CELUJCFIVDVTEQ-SCSAIBSYSA-N 287.301 -0.589 50 20 CBGD Cn1nc(C2CC2)nc1CC(=O)NNc1nc[nH]n1 1118219332 WAHYTSPJGRIASB-UHFFFAOYSA-N 262.277 -0.504 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1CC12CCOCC2 1118865703 QUTLAFREYSPUAP-SECBINFHSA-N 279.300 -0.077 50 20 CBGD CC(C)(C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccn1 1118942112 CHWCGXTVQQVLFQ-VIFPVBQESA-N 290.323 -0.215 50 20 CBGD CC(=O)N1CCC[C@H](C(=O)NNc2nccn(C)c2=O)C1 1318918288 HVABVCVCERGXDQ-JTQLQIEISA-N 293.327 -0.518 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCc2ccnn2C)cn1 1320512125 AOGVRIMXEFJLMW-UHFFFAOYSA-N 291.315 -0.660 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1nonc1C 1322233475 MBFRCWOFIPHCMH-UHFFFAOYSA-N 283.288 -0.556 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cn(C2CC2)nn1 1329207521 JIMBHGRKDRWTOM-UHFFFAOYSA-N 280.288 -0.700 50 20 CBGD O=C(CNC(=O)C1CC1)NNC(=O)C1CCOCC1 1336934867 LSEIHACNUJAPIM-UHFFFAOYSA-N 269.301 -0.913 50 20 CBGD COC(=O)NNC(=O)C1CCC2(CC1)NC(=O)NC2=O 1338023028 NAZXFAIOHSWJOG-UHFFFAOYSA-N 284.272 -0.858 50 20 CBGD COCCN1C[C@@H](C(=O)NNc2ccn(C)n2)CC1=O 1339438892 SJGLZVOSKGMOPW-VIFPVBQESA-N 281.316 -0.642 50 20 CBGD Cc1ccc(C(=O)NNC(=O)N[C@@H](C)c2nnnn2C)o1 1342040193 RZHFNWWGIODEPQ-ZETCQYMHSA-N 293.287 -0.183 50 20 CBGD COC1(OC)CC(CNC(=O)c2cccc(B(O)O)c2)C1 1347654063 VETFRNSMOMOCHU-UHFFFAOYSA-N 293.128 -0.505 50 20 CBGD CCc1nc(C)c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)o1 1351717297 UXMJKBBFAZFMJE-SSDOTTSWSA-N 280.284 -0.415 50 20 CBGD O=C(O)[C@]1(C(=O)NNc2ncccn2)CCCO1 1574633712 ZFOXUKHCEAFXTE-SNVBAGLBSA-N 252.230 -0.447 50 20 CBGD O=C(CSCc1cnn[nH]1)NNC(=O)c1cccnn1 1577959842 WMUORZVFYQIBJR-UHFFFAOYSA-N 293.312 -0.711 50 20 CBGD C[C@@H](CN(C)C(=O)c1cccc(B(O)O)c1)C(=O)O 1589031561 RHXJVYILBKJMSP-QMMMGPOBSA-N 265.074 -0.841 50 20 CBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNc1ccc(C(=O)O)cn1 1594632669 PWIYHJANNSXBKB-SVGQVSJJSA-N 280.240 -0.280 50 20 CBGD O=C(O)CCCNC(=S)NNC(=O)NC1CC1 1608715120 QZQGJOFLWBKXDA-UHFFFAOYSA-N 260.319 -0.308 50 20 CBGD CCNC(=O)NNC(=O)CN1CCCCCC1=O 46705357 SNOUBZKWYYAXAU-UHFFFAOYSA-N 256.306 -0.261 50 20 CBGD CCCC[C@H](NC(N)=O)C(=O)NNC(=O)[C@@H]1CCCO1 49182258 LMESNEVARLKQIH-IUCAKERBSA-N 286.332 -0.460 50 20 CBGD C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNC(=O)CN(C)C 113426096 NMWLVWTVEBMROL-AXFHLTTASA-N 270.377 -0.043 50 20 CBGD CN(NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)C(N)=O 181082793 XVVPNZJDHVBBOL-YFKPBYRVSA-N 282.222 -0.561 50 20 CBGD CNC(=O)CCN(C)S(=O)(=O)CBr 220125127 SLMITJBAEVUQFB-UHFFFAOYSA-N 273.152 -0.264 50 20 CBGD C=CCCS(=O)(=O)NNC(=O)C(=O)NC(CC)CC 269317023 ZZFSTHTZIMOYIZ-UHFFFAOYSA-N 291.373 -0.182 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCN(C(=O)NC)CC1 276263476 SEMYWQMJWUFOIH-MDZDMXLPSA-N 266.301 -0.086 50 20 CBGD CCn1cc(CNC(=O)NNC(=O)[C@@H]2CCCO2)cn1 292140728 YZXYEFUQFGVRPX-JTQLQIEISA-N 281.316 -0.088 50 20 CBGD Cn1cnnc1CCCNS(=O)(=O)CCl 308961746 GMQGZHGLIHXYDJ-UHFFFAOYSA-N 252.727 -0.137 50 20 CBGD Cn1nncc1CNS(=O)(=O)CBr 379376253 SLSZYQXOPSFYTF-UHFFFAOYSA-N 269.124 -0.413 50 20 CBGD CCO/C=C(/C#N)C(=O)NC[C@@H](C)S(C)(=O)=O 490754644 REYLJNNTRJLUMP-XZZQCUQZSA-N 260.315 -0.020 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)C1(CO)CCOCC1 584911568 JROFDHVMADFRAP-UHFFFAOYSA-N 279.101 -0.906 50 20 CBGD CCCNC(=O)CN(C)C(=O)c1ccc(B(O)O)c(F)c1 584925393 ULFNHOBKACIBLE-UHFFFAOYSA-N 296.107 -0.896 50 20 CBGD COC[C@H](NC(=O)c1cccc(B(O)O)c1)C(C)C 584949670 GNFBHRFIRJWLPX-LBPRGKRZSA-N 265.118 -0.233 50 20 CBGD Cc1c(CCNC(=O)c2cccc(B(O)O)c2)cnn1C 584959934 MIZRENLKKLLCGO-UHFFFAOYSA-N 287.128 -0.619 50 20 CBGD CN(C)C[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584972106 NFVZAJFRIUSTRN-LLVKDONJSA-N 276.145 -0.610 50 20 CBGD C[C@@H]1CC[C@@H](O)CN1C(=O)c1ccc(B(O)O)c(F)c1 584984981 DRLXOGMZNCCBMC-PSASIEDQSA-N 281.092 -0.509 50 20 CBGD CO[C@@H]1CCC[C@H]1NC(=O)c1ccc(B(O)O)cc1 584997030 BOMGEMBEWGCNNJ-VXGBXAGGSA-N 263.102 -0.336 50 20 CBGD CC[C@@H](O)CNC(=O)c1ccc(B(O)O)c(F)c1 585002268 RRNZIPDRKHRBON-MRVPVSSYSA-N 255.054 -0.994 50 20 CBGD CC(=O)N1CCC(NCc2ccc(B(O)O)cc2)CC1 585014420 QUADRGHJIQUGJI-UHFFFAOYSA-N 276.145 -0.533 50 20 CBGD C[C@@H](CCN(C)C)NCc1ccccc1B(O)O 585021777 ZNFDVVDNZDQVJZ-NSHDSACASA-N 250.151 -0.204 50 20 CBGD OB(O)c1ccc(CNC[C@H](O)C2CCCC2)o1 585029810 VIJLUBRUVNTKCW-NSHDSACASA-N 253.107 -0.400 50 20 CBGD C[C@H](CCO)CCNCc1ccccc1B(O)O 585043830 SSXOXBIVCSOTEB-NSHDSACASA-N 251.135 -0.135 50 20 CBGD NC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cc1 585060333 CQBZDZFGFWWVJB-SECBINFHSA-N 298.129 -0.977 50 20 CBGD CC(C)C(=O)NNC(=O)CCCN1C(=O)NC(C)(C)C1=O 726711111 HHDPHJFQWGXJIW-UHFFFAOYSA-N 298.343 -0.100 50 20 CBGD CCOC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)nc1 736599517 BMPBDGIFWOPAIB-UHFFFAOYSA-N 277.244 -0.347 50 20 CBGD CCNC(=O)CNC(=O)NNc1nc(C)cc(OC)n1 746742595 HADFTELFECPHJT-UHFFFAOYSA-N 282.304 -0.444 50 20 CBGD O=C(CO)NNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 753438462 DVKFKDYRHNJSMC-UHFFFAOYSA-N 297.223 -0.881 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)Nc1cnn(C)c1 755492583 HBVSULPDTUWPEH-UHFFFAOYSA-N 263.261 -0.082 50 20 CBGD COCC(=O)NNC(=O)Nc1ccc(C(N)=O)cc1C 755807923 TYLJEYCEZMSHDZ-UHFFFAOYSA-N 280.284 -0.107 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc(-n2ccnc2)nn1 768248011 SRFCIRARXMVDAZ-UHFFFAOYSA-N 290.283 -0.806 50 20 CBGD CN(NC(=O)CCn1cc([N+](=O)[O-])cn1)C(N)=O 770438192 MBGBRDMBJXAKDS-UHFFFAOYSA-N 256.222 -0.777 50 20 CBGD CSCCNC(=S)NNC(=O)C1(O)CCOCC1 773576962 FDUHVYLEDCEBIU-UHFFFAOYSA-N 293.414 -0.614 50 20 CBGD CN(C)c1cnc(C(=O)NNC(=O)N2CCOCC2)cn1 779659686 CATFBIPNCXVQNB-UHFFFAOYSA-N 294.315 -0.771 50 20 CBGD Cc1nc2ccccn2c1C(=O)NNC(=O)c1cnn(C)n1 785723477 GKUOLUIZKWGKFY-UHFFFAOYSA-N 299.294 -0.154 50 20 CBGD Cc1nn[nH]c1C(=O)NNC(=O)NC1CCCC1 789917328 PWJIENGDABMKHA-UHFFFAOYSA-N 252.278 0.000 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H](NC(N)=O)C(C)(C)C 800328252 JRDKVUYLRJQAAP-SSDOTTSWSA-N 273.337 -0.190 50 20 CBGD CN1CC[C@@H](C(=O)NNc2ncncc2F)C1=O 817082529 ZFXFUWWSZYFIRZ-LURJTMIESA-N 253.237 -0.463 50 20 CBGD O=C(NN=C1CCN(CCO)CC1)C(=O)N1CCCC1 819807096 JTVMGZZWQGPDPJ-UHFFFAOYSA-N 282.344 -0.831 50 20 CBGD C[C@H]1COCCN1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 827267216 GPLUHTOSMJZYBR-AEJSXWLSSA-N 271.317 -0.127 50 20 CBGD COC(=O)C[C@H]1COCCN1S(=O)(=O)CCl 831543087 APMNZITUFJEWLA-ZETCQYMHSA-N 271.722 -0.224 50 20 CBGD CCC[C@H](C(=O)NN(C)C(=O)NCC)S(N)(=O)=O 831853924 KKJSTFVUFIGKQC-SSDOTTSWSA-N 280.350 -0.864 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ncccc1O 843970698 JOLVHWLQHUNCJD-SFYZADRCSA-N 265.269 -0.027 50 20 CBGD CCCCNC(=O)NNS(=O)(=O)c1c(N)noc1C 844650132 TXJSHZGDURRTPX-UHFFFAOYSA-N 291.333 -0.142 50 20 CBGD CC(C)CC(=O)NNC(=O)NCCN1CCCC1=O 845476369 JKONCEQYGMJSKO-UHFFFAOYSA-N 270.333 -0.015 50 20 CBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)C1CCCC1 847335916 FZCRKJVVKSWDQC-RKDXNWHRSA-N 253.302 -0.165 50 20 CBGD CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2CCNC2=O)c1 854264082 VUCSDIURIRGUOS-LLVKDONJSA-N 290.323 -0.350 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CCc2cnn(C)c2C1 854921432 RKCKERWBDLIAFP-MRVPVSSYSA-N 281.385 -0.008 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@H]1CCCC(=O)N1)C1CC1 855097215 LRXIJDCDXIEBSV-VXNVDRBHSA-N 284.385 -0.051 50 20 CBGD O=C(NNC(=O)[C@H]1CCn2ccnc2C1)c1cc[nH]n1 855354334 AJCZYUXGRABBDL-QMMMGPOBSA-N 274.284 -0.370 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 855476358 NOVYLUSVMIQSLY-ZLQFYDKZSA-N 288.325 -0.641 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)c2cccc(Cl)n2)C1=O 857323798 ZEBSZQGBSKFVFN-SSDOTTSWSA-N 296.714 -0.026 50 20 CBGD CC[C@@H]1CCCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 858695316 FGEGCAWXRAFONA-RKDXNWHRSA-N 268.317 -0.120 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H](NC=O)C(C)C 858781403 HRNQEHYAXGHOFP-VIFPVBQESA-N 274.321 -0.876 50 20 CBGD O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=O)C1CC1 859378132 GYNCURSBSYCXPT-AOOOYVTPSA-N 293.323 -0.281 50 20 CBGD Nc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc(Cl)n1 862451739 AHMHGNUKENHOOB-ZCFIWIBFSA-N 297.702 -0.643 50 20 CBGD CC(C)(C)n1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)nn1 863153178 OKOITJHRDZMHCO-VIFPVBQESA-N 278.316 -0.238 50 20 CBGD C=CCS(=O)(=O)CCNCc1ccc(B(O)O)cc1 863891550 SNIZTIFWOPPVTL-UHFFFAOYSA-N 283.158 -0.943 50 20 CBGD O=S(=O)(CC[C@@H]1CCCO1)N1CC[C@@H](B(O)O)C1 864231632 QBIBULNTLQZQDL-ZJUUUORDSA-N 277.151 -0.566 50 20 CBGD COCCOCC(=O)NNC(=O)Cc1cccc(O)c1 869907203 FDWRQDYWHIQIAW-UHFFFAOYSA-N 282.296 -0.255 50 20 CBGD CCn1[nH]c(C)nc1=NC(=O)NN(C)CCOC 888540933 DRSDMCWFSYSMLM-UHFFFAOYSA-N 256.310 -0.357 50 20 CBGD COC[C@H](C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 890159050 SPGYJIBQGHYRPU-WCBMZHEXSA-N 279.362 -0.598 50 20 CBGD C#CCN1CCC[C@@H](NC(=O)NN(C)C(=O)OC)C1 890361282 NETKNBDCIPKQJU-SNVBAGLBSA-N 268.317 -0.004 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@@H](O)C1)c1ccccc1O 895521836 JPQZJHVHRNJKCI-OCAPTIKFSA-N 250.254 -0.076 50 20 CBGD CC[C@@H]1C[C@H](C(=O)NNC(=O)CN2CCCC2=O)CCO1 913731986 DAFBKFDIHVWOEC-GHMZBOCLSA-N 297.355 -0.039 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@H]2CC[C@H]1[C@@H](O)C2 925065905 VFYDBYJYEBYJOE-XDTLVQLUSA-N 275.113 -0.648 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc(C(N)=O)s1 1318197986 AHLVCNPGDHQTKD-UHFFFAOYSA-N 256.287 -0.237 50 20 CBGD O=C(NCCN1C(=O)CCC1=O)NNC(=O)c1ccc[nH]1 1322839665 PLVBOADQDVKVPI-UHFFFAOYSA-N 293.283 -0.892 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)C(C)(C)CN(C)C 1323691081 KFDVEZLADWBQQQ-QMMMGPOBSA-N 288.348 -0.534 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H](C)[C@H]1CCC(=O)N1 1329771146 PWDUYUBFQBPJRC-RKDXNWHRSA-N 286.332 -0.732 50 20 CBGD O=S(=O)(CBr)NC1CC(CO)(CO)C1 1332766513 ZZZSTNGWNPBGFQ-UHFFFAOYSA-N 288.163 -0.608 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)C1CCOCC1 1333156096 YNVHDAVLYFAHGO-ZETCQYMHSA-N 273.289 -0.695 50 20 CBGD O=C(NNC(=O)c1ccccn1)C(=O)N1CCCC1 1338089413 QDFCTVZXYKCRQV-UHFFFAOYSA-N 262.269 -0.535 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1cncc(C)c1 1342601813 PQYMHLCPBPRELQ-UHFFFAOYSA-N 280.284 -0.488 50 20 CBGD CNC(=O)c1cccc(C(=O)NNc2cnnn2C)c1 1343974355 MQKWFAMUNSOQJU-UHFFFAOYSA-N 274.284 -0.068 50 20 CBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)CC(F)(F)F 1349952541 YTVIYVUTPJTXIE-YUMQZZPRSA-N 294.277 -0.526 50 20 CBGD CN1CC[C@H]1CNC(=O)NNC(=O)c1cnn(C)c1 1350955200 HRUFXZNPNZLUBG-VIFPVBQESA-N 266.305 -0.932 50 20 CBGD CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CCN 1578234080 IJVPHFWVADJATK-QMMMGPOBSA-N 288.348 -0.214 50 20 CBGD COC(=O)N(C)NC(=O)c1coc(-c2nn[nH]n2)c1 1579453279 QPQFVSBKLSMUFY-UHFFFAOYSA-N 266.217 -0.197 50 20 CBGD O=C(O)CC1(C(=O)NNC(=O)c2cnn[nH]2)CCC1 1594976551 XCWXOVXXJUGSKO-UHFFFAOYSA-N 267.245 -0.789 50 20 CBGD COc1cc(C(=O)O)ccc1NNC(=O)CC(N)=O 1599377069 JFXBXKUXHHEYSH-UHFFFAOYSA-N 267.241 -0.288 50 20 CBGD COc1cc(C)ccc1CNC(=O)NNC(=O)C(=O)O 1599393071 ASBSMHZYULZYPB-UHFFFAOYSA-N 281.268 -0.081 50 20 CBGD C=CCNC(=S)NNC(=O)[C@]1(C(=O)O)CCCO1 1602722943 BVCBGTMWPBDDJY-JTQLQIEISA-N 273.314 -0.699 50 20 CBGD CC(CCC(=O)O)=NNC(=O)Cc1cc(O)nc(O)n1 1609737775 INNKEPOGPFFFRW-UHFFFAOYSA-N 282.256 -0.213 50 20 CBGD COC(=O)CN1CCN(S(=O)(=O)CCCCl)CC1 37842905 IQLNPPTYTSKVJL-UHFFFAOYSA-N 298.792 -0.264 50 20 CBGD O=C(CCNS(=O)(=O)CCCCl)N1CCOCC1 124918210 TXXYFDNUTHOGJT-UHFFFAOYSA-N 298.792 -0.216 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 131945487 AYJNWYSGDBPYDK-LBPRGKRZSA-N 292.339 -0.152 50 20 CBGD C[C@H](CO)N(C)CC(=O)NNC(=O)c1ccccc1 135853888 GQKZBWWBEZLXAI-SNVBAGLBSA-N 265.313 -0.240 50 20 CBGD COC(=O)NCC(=O)NNC(=O)COc1ccccc1O 264508116 LELYZCDPASDCDE-UHFFFAOYSA-N 297.267 -0.726 50 20 CBGD COC(=O)NCC(=O)NNc1ccc(C(=O)OC)cn1 270378607 ODXLIIQHNCBARQ-UHFFFAOYSA-N 282.256 -0.333 50 20 CBGD O=C(NNC(=O)[C@]1(O)CCSC1)c1ccncc1 270804995 OLNYRRBETJMIGO-NSHDSACASA-N 267.310 -0.289 50 20 CBGD CN(NC(=O)[C@H]1CSCN1C(=O)C(C)(C)C)C(N)=O 272235829 WLLNRWUKGNCJBT-SSDOTTSWSA-N 288.373 -0.024 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCc2nccn2C1 584911008 FKMRNTLMGDHEIE-SNVBAGLBSA-N 285.112 -0.236 50 20 CBGD C[C@@H]1C[S@@](=O)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584948977 JQBPXUQOMUDELJ-SQFXPLBJSA-N 299.132 -0.902 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCCCN1 584988658 CTMSMSFQAUYUCY-UHFFFAOYSA-N 252.054 -0.754 50 20 CBGD CCN1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H](C)C1 584989146 YGONCKIYPDTQSE-NSHDSACASA-N 276.145 -0.467 50 20 CBGD C[C@H](NCc1cccc(B(O)O)c1)[C@@H](C)n1cncn1 585020521 ZRHIUQDIIVFWDY-WDEREUQCSA-N 274.133 -0.303 50 20 CBGD C[C@@](O)(CNCc1ccc(B(O)O)cc1F)C1CC1 585024348 UPLLMFXSXMRUPB-CYBMUJFWSA-N 267.109 -0.244 50 20 CBGD C[C@@H]1C[C@H](NCc2ccccc2B(O)O)CCN1C 585026054 BWHYTDBBFZZUNP-DGCLKSJQSA-N 262.162 -0.061 50 20 CBGD CNC(=O)[C@@H]1CCCC[C@H]1NCc1ccc(B(O)O)cc1 585030658 WXKGRKDJOCTEDW-ZIAGYGMSSA-N 290.172 -0.239 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCc3c[nH]nc3C2)o1 585031505 WIUSLXHYWZQQSB-VIFPVBQESA-N 261.090 -0.670 50 20 CBGD CCn1ncnc1CNCc1cccc(B(O)O)c1 585038946 KRXRJGGLMHVTSD-UHFFFAOYSA-N 260.106 -0.732 50 20 CBGD CCOCc1nc([C@@H](C)NCc2ccc(B(O)O)o2)no1 585040538 GDLOOJXLVZMAJQ-MRVPVSSYSA-N 295.104 -0.270 50 20 CBGD Cc1cc(C)cc(N2CC[C@H](C(=O)NCB(O)O)C2=O)c1 585061681 DGKHGPGBGOQBMR-GFCCVEGCSA-N 290.128 -0.215 50 20 CBGD O=C(CSc1nnc(O)nc1O)NN=C1CCOC1 731926234 RVLSLDHWGFWBCK-UHFFFAOYSA-N 285.285 -0.733 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCCn2ccnc2)cn1 735444218 HETQXHPIYDHMKQ-UHFFFAOYSA-N 276.300 -0.142 50 20 CBGD COCCN(C)CC(=O)NNC(=O)c1ccc(C#N)cc1 744390053 PTXIMOHFGIYVQJ-UHFFFAOYSA-N 290.323 -0.103 50 20 CBGD CC(=O)CCC(=O)NNC(=O)C(=O)N1CCCC1 748360612 UDPCVJHINFBHMY-UHFFFAOYSA-N 255.274 -0.875 50 20 CBGD CC(C)[C@@H](C(=O)NNC(=O)CO)N1C[C@@H](C)O[C@H](C)C1 753444522 NCPIOIVHAXVBMN-FOGDFJRCSA-N 287.360 -0.740 50 20 CBGD CCc1ncncc1C(=O)NNC(=O)Cc1cc[nH]n1 755284148 MKLFIVGTRSQHKN-UHFFFAOYSA-N 274.284 -0.234 50 20 CBGD CSCc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1 764428890 MJTJINFBXCZUTI-UHFFFAOYSA-N 297.336 -0.372 50 20 CBGD CCCC[C@H](NC(N)=O)C(=O)NNC(=O)c1cc(C)[nH]n1 765586487 XMXLRWHXFSAMBA-QMMMGPOBSA-N 296.331 -0.294 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)Cc2ccc(F)cc2)C1=O 771904005 OXFMHZMNPACLGG-LLVKDONJSA-N 293.298 -0.006 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCCOC1 772090250 XPOJEFZTEKXUTI-DTWKUNHWSA-N 272.301 -0.098 50 20 CBGD CN(NC(=O)c1ccccc1Cn1cncn1)C(N)=O 778412906 VBOQORZRMOSIAM-UHFFFAOYSA-N 274.284 -0.018 50 20 CBGD CN(NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)C(N)=O 778415764 QNHXKBLLBPGQTA-ZETCQYMHSA-N 256.306 -0.325 50 20 CBGD CC(C)(C)n1cc(C(=O)NNC(=O)Cc2cc[nH]n2)nn1 790597073 MSMXTCGABKDIKE-UHFFFAOYSA-N 291.315 -0.240 50 20 CBGD CS(=O)(=O)C1(C(=O)NNC(=O)c2cccnc2)CCC1 792772701 LWUQFVVTPYKOLH-UHFFFAOYSA-N 297.336 -0.190 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccnc2c1nnn2C 801184879 HBGCCNCVPJHJCA-UHFFFAOYSA-N 277.288 -0.331 50 20 CBGD NC(=O)C(=O)NN=C1CC(C(=O)O)(c2ccccc2)C1 814696501 HWJWHUXBTHNZGU-UHFFFAOYSA-N 275.264 -0.240 50 20 CBGD CN(NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1CC1 819643405 ALLSLLPFVGYGCV-UHFFFAOYSA-N 274.280 -0.045 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CCCN(C(C)=O)C1 823838359 OQLVIMFZIUUQJR-LLVKDONJSA-N 257.334 -0.410 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cccc3c2OCC3)N1 827015337 HSBLSKBSELTOAR-JTQLQIEISA-N 289.291 -0.339 50 20 CBGD CSCCNC(=S)NNC(=O)C[C@@H]1CCC(=O)N1 831575595 PORLFMPHCBOHJD-ZETCQYMHSA-N 290.414 -0.487 50 20 CBGD CCNC(=O)NNS(=O)(=O)C1(CC(=O)OCC)CC1 840912375 OEDWNXGPIIFBPD-UHFFFAOYSA-N 293.345 -0.374 50 20 CBGD CNC(=S)N(C)NC(=O)Cn1nnc2c1CCCC2 854922003 UXBACSSWMYTPHW-UHFFFAOYSA-N 282.373 -0.376 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1CCNC1=O 854952480 KIEKIXORNAYYEG-ZCFIWIBFSA-N 251.246 -0.936 50 20 CBGD COCCOCC(=O)NNC(=O)OCC(F)(F)F 856023232 DAHWNHBPIBEAEX-UHFFFAOYSA-N 274.195 -0.031 50 20 CBGD C[C@H](Oc1cccnc1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862453859 AESHHRTXRKKBLH-WPRPVWTQSA-N 292.295 -0.725 50 20 CBGD CC(C)c1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)nn1C 862454857 BYWWAYZEXUCSDV-MRVPVSSYSA-N 293.327 -0.417 50 20 CBGD COC(=O)[C@](C)(NC(=O)c1ccc(B(O)O)cc1)C1CC1 863872421 GZSFBVGMLHNPSS-CQSZACIVSA-N 291.112 -0.562 50 20 CBGD COc1nn(C)cc1C(=O)NNC(=O)c1c[nH]nc1C 883960713 DYERWVOKLQEWAO-UHFFFAOYSA-N 278.272 -0.465 50 20 CBGD CNc1nc(C)cc(C(=O)NN(C)C[C@@H](C)O)n1 910150574 SPMSDISKGNQVKY-MRVPVSSYSA-N 253.306 -0.216 50 20 CBGD Cc1nc(N)sc1C(=O)NN=C1CCS(=O)(=O)C1 912817829 WEVMNXFBFNHHGV-UHFFFAOYSA-N 288.354 -0.062 50 20 CBGD CSC[C@@H](C(=O)NN)N1C(=O)[C@H]2CCCC[C@H]2C1=O 916665510 BZWGDMASVKOYMZ-YIZRAAEISA-N 285.369 -0.117 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CN2CC[C@H]2CO)c1 934015714 ASFNWUXTYFRRJN-LBPRGKRZSA-N 277.324 -0.177 50 20 CBGD C[C@@]1(NNC(=O)NC2CCOCC2)CCS(=O)(=O)C1 1115869435 HHUMNHOQRZTWPH-LLVKDONJSA-N 291.373 -0.454 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cnn(C)c1 1252057493 RRYMLLRNQXQOTO-UHFFFAOYSA-N 281.316 -0.514 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)Cc1ccncc1 1252473981 JXXZUYAETHBQLD-QMMMGPOBSA-N 264.285 -0.704 50 20 CBGD CC[C@@H]1C[C@H](C(=O)NNC(=O)CS(C)(=O)=O)CCO1 1261835012 FIOIRRIHBOZSMB-RKDXNWHRSA-N 292.357 -0.616 50 20 CBGD Cn1cc(C(=O)NNC(=O)N[C@@H]2CCCCNC2=O)cn1 1318571349 UVUKNMURTFUEDW-SECBINFHSA-N 294.315 -0.967 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccc(O)c(OC)c1 1318875761 BUCCYWDWFQDEOD-UHFFFAOYSA-N 297.267 -0.596 50 20 CBGD C#Cc1cncc(C(=O)NNc2ccc(C(N)=O)nn2)c1 1326804196 NLCHMBZIIXSZPT-UHFFFAOYSA-N 282.263 -0.291 50 20 CBGD COCCOc1cncc(C(=O)NNc2cnnn2C)c1 1328570418 RBOIBYHBEYYPNX-UHFFFAOYSA-N 292.299 -0.008 50 20 CBGD CC(C)(C)C(=O)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1329172519 MKHJUYIIOJDOFU-ZCFIWIBFSA-N 255.274 -0.972 50 20 CBGD CCCNC(=O)NNC(=O)c1ccn(C)c(=O)c1 1337872825 LIJZRWBXJKGNAG-UHFFFAOYSA-N 252.274 -0.261 50 20 CBGD Cn1cc(C(=O)NNC(=S)NC[C@@H]2CCOC2)cn1 1340950513 HDWFQPZPHYWWSR-QMMMGPOBSA-N 283.357 -0.435 50 20 CBGD CN(C)C(=O)CNC(=O)NNc1nncc(N)c1Cl 1343243883 XVGJYVPKOLWDHH-UHFFFAOYSA-N 287.711 -0.574 50 20 CBGD CNC(=O)[C@H](C)NC(=O)NNC(=O)Cc1cccnc1 1347601937 FFWJBROCNBSPGC-QMMMGPOBSA-N 279.300 -0.911 50 20 CBGD C[C@@H](CC(N)=O)C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1589800413 JAPLCKXWLYXGJC-LURJTMIESA-N 290.287 -0.784 50 20 CBGD O=C(Cc1cc[nH]n1)NN=Cc1ccc(-c2nn[nH]n2)o1 1592910225 BMJWWYXXAGNFAJ-UHFFFAOYSA-N 286.255 -0.124 50 20 CBGD O=C(NNC(=O)[C@@H]1CC[C@H]1C(=O)O)c1cnsn1 1594782607 CGFKDRFATKQZSV-RFZPGFLSSA-N 270.270 -0.590 50 20 CBGD O=C(O)C1=NO[C@H](C(=O)NNc2ncc(Cl)cn2)C1 1594890385 RFVIXMWDRSKNMD-LURJTMIESA-N 285.647 -0.197 50 20 CBGD Cc1ncccc1CCNC(=O)NNC(=O)C(=O)O 1600752294 ICFTYEAHMGOPPU-UHFFFAOYSA-N 266.257 -0.652 50 20 CBGD O=C(O)c1ccc(C(=O)N2CC[C@@H](B(O)O)C2)o1 1602315234 PTPBJEPDMSHWOI-ZCFIWIBFSA-N 253.019 -0.333 50 20 CBGD Cc1cc(CC(=O)NNC(=S)NCCCN(C)C)[nH]n1 17514300 WNFVTGDDOSACQT-UHFFFAOYSA-N 298.416 -0.292 50 20 CBGD CC(=O)NNC(=O)CNC(=O)Cc1cccc(F)c1 44901815 KHQHNTZBUAOWCF-UHFFFAOYSA-N 267.260 -0.348 50 20 CBGD COCCNC(=O)NNC(=O)COc1ccccc1C#N 54028373 YUPIRBYTHSOCQI-UHFFFAOYSA-N 292.295 -0.086 50 20 CBGD O=C(Cn1cnnn1)NNC(=O)Cn1ccc2ccccc21 104629523 TUQFSNVAVSOEJB-UHFFFAOYSA-N 299.294 -0.525 50 20 CBGD Cc1ccc(NNC(=O)NCCN2CCOCC2)nn1 106257532 IWKNXMXIWJWIML-UHFFFAOYSA-N 280.332 -0.257 50 20 CBGD COCCN(C)CCNS(=O)(=O)CBr 127435841 ZENIODLZUHPKOG-UHFFFAOYSA-N 289.195 -0.164 50 20 CBGD CC[C@@H](C)OCC(=O)NNC(=O)c1cnn(C)c1 152500001 PFGOEELLANYLAN-MRVPVSSYSA-N 254.290 -0.004 50 20 CBGD O=C(CO)NNC(=O)c1ncn(-c2ccccc2)n1 182757035 UHBAVXYNPAFPSI-UHFFFAOYSA-N 261.241 -0.979 50 20 CBGD C[C@H](OC[C@H]1CCCO1)C(=O)NNC(=O)c1cnn(C)c1 265330703 NVKKPUFOYJMXOK-GXSJLCMTSA-N 296.327 -0.235 50 20 CBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1CCCO1 268673545 IMLNDPGUYPIZQF-JTQLQIEISA-N 292.295 -0.862 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1ccncc1[N+](=O)[O-] 274798740 DUCIYRZUWDBEOV-UHFFFAOYSA-N 282.260 -0.296 50 20 CBGD COc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)cn1 287701718 DREKWRPTWZZRGJ-UHFFFAOYSA-N 293.327 -0.308 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2OC[C@H]3COCC[C@H]32)[nH]n1 290607061 VWEWCRGKXGKYMB-FXPVBKGRSA-N 294.311 -0.469 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H](CO)NC(=O)C(C)C)o1 291526365 AHOZHEKONOISFV-VIFPVBQESA-N 297.311 -0.518 50 20 CBGD Cc1noc(C)c1C(=O)NNC(=O)N1CCOCC1 299410900 ZQOJZMKDOBWGTJ-UHFFFAOYSA-N 268.273 -0.022 50 20 CBGD COC(=O)NNC(=O)Nc1ccn(CCN(C)C)n1 491931718 LMWCEESFHCKHOD-UHFFFAOYSA-N 270.293 -0.163 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@H]2NC(=O)O[C@H]2C)n1 496762646 FZVKEPXKYWZNJX-CBAPKCEASA-N 278.268 -0.352 50 20 CBGD Cc1cc(C[C@@H](C)NC(=O)c2ccc(B(O)O)cc2)n[nH]1 584965274 OZCUTXXWVZKMGH-SECBINFHSA-N 287.128 -0.241 50 20 CBGD C[C@@H]1COCC[C@H]1CNC(=O)c1ccc(B(O)O)c(F)c1 584989714 TYLLTVAPEVUZKJ-KOLCDFICSA-N 295.119 -0.092 50 20 CBGD C[C@H](CCCO)CNC(=O)c1cccc(B(O)O)c1 584995243 JNYVPLAFQLAECT-SNVBAGLBSA-N 265.118 -0.495 50 20 CBGD C[C@@H](CCNC(=O)c1ccc(B(O)O)cc1)N(C)C 585007722 ZLKIIFJIHVKFHH-JTQLQIEISA-N 264.134 -0.564 50 20 CBGD C[C@H](C[S@@](C)=O)NCc1ccccc1B(O)O 585033724 ARVOGRMPRGNOJL-VVVCHXIZSA-N 255.148 -0.777 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCCC[C@H]2O)c(F)c1 585036327 HOUBQDUURHHOPT-CHWSQXEVSA-N 267.109 -0.101 50 20 CBGD CC(C)[C@H](O)Cc1nc(-c2ccc(B(O)O)cc2)no1 585055291 VQYJQFGEJQXSFW-LLVKDONJSA-N 276.101 -0.024 50 20 CBGD COc1cc(C(=O)NCB(O)O)cc2c1OCCO2 585058293 WZCCUCMWQIGPHI-UHFFFAOYSA-N 267.046 -0.792 50 20 CBGD C[C@@H]1CCN(S(=O)(=O)N2CC[C@H](B(O)O)C2)C1 585058639 LPAQZJUFMCNKSQ-BDAKNGLRSA-N 262.140 -0.878 50 20 CBGD C[C@@H](NC(=O)c1cccs1)C(=O)N1CC[C@@H](B(O)O)C1 585068545 DHXJAKCPUIGOLE-RKDXNWHRSA-N 296.157 -0.058 50 20 CBGD COCCn1cc(CN2CC[C@@H](B(O)O)C2)cn1 585078093 YTRZZICPYXZINH-LLVKDONJSA-N 253.111 -0.422 50 20 CBGD O=C(CCC1CC1)NNC(=O)[C@H]1CCS(=O)(=O)C1 734316736 TYSJEGYAGHXPHM-VIFPVBQESA-N 274.342 -0.241 50 20 CBGD COCCO[C@H](C)C(=O)NN=C1CCCS(=O)(=O)C1 748258614 QIATUYMXXQOOOL-SECBINFHSA-N 292.357 -0.281 50 20 CBGD COCCCNC(=O)NNC(=O)c1cc(C#N)c[nH]1 748533586 TXNQINUUUWHLMV-UHFFFAOYSA-N 265.273 -0.133 50 20 CBGD COC(=O)c1ccc(NNC(=O)C2(NC(N)=O)CC2)nc1 767875555 BRIKRCVEGPLDHG-UHFFFAOYSA-N 293.283 -0.488 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCc1nc(C)no1 771968222 LVFXBLGZQZBCRB-SSDOTTSWSA-N 298.299 -0.200 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccnn1C 772053351 DXHWYNNFBDBECS-SSDOTTSWSA-N 268.273 -0.477 50 20 CBGD C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)O1 800327856 AFFZPUPEPOXKPO-OPRDCNLKSA-N 283.328 -0.430 50 20 CBGD CN1CCN(C(=O)NNC(=O)C(=O)c2cccn2C)CC1 807381472 VRKJILNZCILHIC-UHFFFAOYSA-N 293.327 -0.804 50 20 CBGD CCN(CCO)NC(=O)C(=O)N1CCC(C)CC1 823873644 FLYYEVHQZDVOPE-UHFFFAOYSA-N 257.334 -0.410 50 20 CBGD C[C@H](OC[C@H]1CCCO1)C(=O)NN(C)[C@H](C)CO 823964646 CKVFHTBYXVJXJS-OUAUKWLOSA-N 260.334 -0.086 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cc(C(N)=O)cs1 823964930 GJUULRVWVAGLOE-LURJTMIESA-N 257.315 -0.196 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1nn(C)c(=O)c2ccccc12 823992798 BKDUWJSEAJJRHB-VIFPVBQESA-N 290.323 -0.109 50 20 CBGD COc1cccc(C(=O)NCC(=O)NN(C)[C@H](C)CO)c1 823992962 HFJQAVJVSYBFLP-SNVBAGLBSA-N 295.339 -0.231 50 20 CBGD CN1CCCC[C@@H]1C(=O)NNC(=O)c1ncccn1 841445021 HAMUPDWARNMVHJ-SECBINFHSA-N 263.301 -0.278 50 20 CBGD C[C@@H]1CC(=NNC(=O)CSc2nnc(O)nc2O)CO1 842525681 UGYLJDZCIMURJR-RXMQYKEDSA-N 299.312 -0.344 50 20 CBGD CNC[C@@H]1CCCN1CC(=O)NNC(=O)C1CC1 843352195 BMCRCFNPDXCSIK-JTQLQIEISA-N 254.334 -0.772 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1c[nH]nc1[N+](=O)[O-] 843972594 VBBSLJSODYPJHU-NTSWFWBYSA-N 283.244 -0.496 50 20 CBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CC(=O)N1 854218051 RZVJFYRSLYBIJX-VXNVDRBHSA-N 295.270 -0.371 50 20 CBGD Cc1cnn(C)c1C(=O)NNC(=O)N1CCN(C)CC1 854381419 KHDGDGJXVPNSLH-UHFFFAOYSA-N 280.332 -0.670 50 20 CBGD COCCN(C)NC(=O)c1nc2ncc(C)cn2n1 854412317 GFVDFLPKXISCLY-UHFFFAOYSA-N 264.289 -0.344 50 20 CBGD CN1C[C@@H](NC(=O)NNc2ncc(Cl)cn2)CC1=O 856877129 XWJORCOQNBBPGS-ZETCQYMHSA-N 284.707 -0.013 50 20 CBGD C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)CN(C)C)C1 857855687 WIPSHHNXARIKJO-WCBMZHEXSA-N 279.344 -0.215 50 20 CBGD C[C@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CC1 858282319 XDUYCRQVYOEEBO-VXNVDRBHSA-N 268.317 -0.359 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CCCCS2)N1 862459934 BQVGKBRFKGXJFI-HTQZYQBOSA-N 271.342 -0.302 50 20 CBGD COCCCn1cc(C(=O)NNC(=O)CN(C)C)cn1 863865153 LKVPYKCEBQMKCX-UHFFFAOYSA-N 283.332 -0.758 50 20 CBGD COC(=O)c1cnc(N2CC[C@H](B(O)O)C2)nc1 864234265 SYDSTZQOSZAVKU-QMMMGPOBSA-N 251.051 -0.684 50 20 CBGD CCN(CC)C[C@H](C)NC(=O)c1cc(B(O)O)ccc1F 865807180 PEXHDARLHDRIHX-JTQLQIEISA-N 296.151 -0.034 50 20 CBGD CNC(=O)NNC(=O)C(C)(C)CN1CCOCC1 874169508 GGZZKFNEALUMCY-UHFFFAOYSA-N 258.322 -0.695 50 20 CBGD CO[C@@H]1COC[C@@H]1NC(=O)NN=c1cc[nH]c(C)c1 875663036 LSZGATPJUAQTSB-WDEREUQCSA-N 266.301 -0.148 50 20 CBGD Cc1ncc(C(=O)NNC(=O)C2CCOCC2)[nH]1 883063459 PROBUPFMOFWDNM-UHFFFAOYSA-N 252.274 -0.094 50 20 CBGD COc1cc(C#N)ccc1C(=O)NNC(=O)CN(C)C 894134695 RGUPXCSHOUGUQU-UHFFFAOYSA-N 276.296 -0.111 50 20 CBGD N#CSCCCNC(=O)CN1CCNC(=O)C1 908032978 YYRVHFGCBKXWHM-UHFFFAOYSA-N 256.331 -0.861 50 20 CBGD C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)CN2CCCC2=O)[C@H]1C 913730209 LNGOYIKRBZSUPS-XHSYRHOGSA-N 297.355 -0.184 50 20 CBGD CO[C@@H](C)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 917623042 ZVRLMGSITXTDSX-DTWKUNHWSA-N 264.347 -0.486 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=O)NCc1ccco1 920857464 NTGSUOOYLGAWST-SSDOTTSWSA-N 268.273 -0.365 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccc([N+](=O)[O-])n1C 920862818 OQLDWNDODDKOMB-UHFFFAOYSA-N 299.287 -0.086 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@H]1CCN1C 925412695 HSEWVNQNYNXJGV-NXEZZACHSA-N 288.348 -0.928 50 20 CBGD CS(=O)(=O)CCCC(=O)NNC(=O)c1ccc[nH]1 1116010050 GDQBWJCGYHOIEE-UHFFFAOYSA-N 273.314 -0.400 50 20 CBGD O=C(CN1CCC(=O)NC1=O)NNC(=O)NC1CCCC1 1116079332 GCZQQIRPNAZEHR-UHFFFAOYSA-N 297.315 -0.799 50 20 CBGD C#Cc1ccc(C(=O)NNc2ccc(C(N)=O)nn2)nc1 1116250710 HBNGYDBNGIFURN-UHFFFAOYSA-N 282.263 -0.291 50 20 CBGD O=C(CCOC[C@@H]1CCCO1)N1CC[C@@H](B(O)O)C1 1261844439 OMVDGQSZGVATAR-MNOVXSKESA-N 271.122 -0.353 50 20 CBGD COCCCNC(=O)NNC(=O)c1cc(COC)on1 1318730158 INQKMNJGDMENPC-UHFFFAOYSA-N 286.288 -0.199 50 20 CBGD CS(=O)(=O)CCC(=O)NNc1nncc(N)c1Cl 1319424365 IBZBMKWSBSBOHC-UHFFFAOYSA-N 293.736 -0.410 50 20 CBGD O=C(CO[C@H]1CCOC1)NNc1ncc(F)cn1 1319647313 QRTNQLKFWHMGKZ-QMMMGPOBSA-N 256.237 -0.136 50 20 CBGD C[C@H](C#N)CNC(=O)NNC(=O)C(=O)N1CCCC1 1319978473 KPQPHTUEESFVHT-MRVPVSSYSA-N 267.289 -0.901 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCO)c(C)c1 1320240497 BOINCLVXHJHFPX-UHFFFAOYSA-N 279.296 -0.228 50 20 CBGD CC(=O)NNC(=O)c1cnc(C2OCCO2)s1 1321333393 WPPSGLDURWCUCN-UHFFFAOYSA-N 257.271 -0.031 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@](O)(C2CC2)C1 1324807324 NVVLIEJZYQVZQF-RNCFNFMXSA-N 269.345 -0.221 50 20 CBGD CN(CC1=CCSC1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1328718256 JBPOGMVHQCRBBD-VIFPVBQESA-N 298.368 -0.389 50 20 CBGD CNC(=S)N(C)NC(=O)CCc1cnccn1 1328744363 KIIBQJAAHNSVLL-UHFFFAOYSA-N 253.331 -0.124 50 20 CBGD O=C1CC[C@H](C(=O)NN=Cc2cnc3ncccn23)N1 1329557514 OHXVJCNTFMZRDU-SECBINFHSA-N 272.268 -0.542 50 20 CBGD O=C(NCCN1CCNC1=O)NNc1ncccc1F 1330983094 NLCQCSVPHGMHJA-UHFFFAOYSA-N 282.279 -0.128 50 20 CBGD O=C(NNC(=O)N1CC[C@H](n2cncn2)C1)c1cn[nH]c1 1334930532 LSTHWSVOJUCMDA-VIFPVBQESA-N 290.287 -0.697 50 20 CBGD CC1(C(=O)NNc2nncc(N)c2Cl)CNC1 1345482263 LVXZGWMAAAVTEZ-UHFFFAOYSA-N 256.697 -0.235 50 20 CBGD Cn1nccc1C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1 1549318183 OIQWRTIYQPGPNS-RYUDHWBXSA-N 277.328 -0.267 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2CO[C@H](CCC(=O)O)C2)n1C 1574436181 HHEFUWJTAXISRU-RKDXNWHRSA-N 297.315 -0.163 50 20 CBGD C[C@]1(C(=O)NNC(=O)CNC(=O)c2ccco2)CCCN1 1579509243 CBVSITVOCPWZOC-CYBMUJFWSA-N 294.311 -0.701 50 20 CBGD CC(C)(C)[C@@H](C(=O)O)C(=O)NNC(=O)Cc1cc[nH]n1 1588634860 SIWLNRPALLVCEQ-SECBINFHSA-N 282.300 -0.154 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cc(O)cc(-c2nn[nH]n2)c1 1589882024 ILHSBXCURLBCRL-ZETCQYMHSA-N 292.299 -0.470 50 20 CBGD O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cccc(B(O)O)c1 1594792438 OSPPZBUROVDFBW-KOLCDFICSA-N 277.085 -0.651 50 20 CBGD O=C(O)CN(C(=O)c1ccc(B(O)O)cc1)C1CC1 1602051426 KSRUIKPFBXVBDL-UHFFFAOYSA-N 263.058 -0.944 50 20 CBGD Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](CO)C(=O)O 1610573103 UFSRUVQHOCVZOD-QMMMGPOBSA-N 289.719 -0.086 50 20 CBGD C[C@H](CNC(=O)NNC(=O)c1cnn(C)c1)N(C)C1CC1 118072132 UZMCFJGOLAATOK-SECBINFHSA-N 294.359 -0.153 50 20 CBGD C[C@@H]1C[C@@H]1C(=O)NNC(=O)CNC(=O)c1cccnc1 122263088 VFGQHHFLQCDEKE-SCZZXKLOSA-N 276.296 -0.385 50 20 CBGD O=C(CO)NNC(=O)[C@H]1OCCc2ccccc21 182770548 HIVYYMMFDRMKNM-NSHDSACASA-N 250.254 -0.560 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])c(O)c1 276318189 WBNCZAZCKYUACJ-UHFFFAOYSA-N 283.240 -0.168 50 20 CBGD CN1CCN(C(=O)NNC(=O)CCn2cccn2)CC1 282813826 BQZSMDKGOHBFDH-UHFFFAOYSA-N 280.332 -0.739 50 20 CBGD CNC(=O)NCCC(=O)NNc1nccnc1OC 293714799 MEAOHMMSIQGYCG-UHFFFAOYSA-N 268.277 -0.753 50 20 CBGD CN(C)C(=O)NNC(=O)CCNC(=O)C(C)(C)C 299407749 YKPNVJSPUFRHMA-UHFFFAOYSA-N 258.322 -0.159 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)CC[S@]1=O 584948326 BKMYUHZHSXSQIN-ZPWHCFADSA-N 299.132 -0.902 50 20 CBGD C[C@@H](O)C[C@@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584974538 VZYIHJUUXVMIRG-HTQZYQBOSA-N 269.081 -0.605 50 20 CBGD CN1CCC[C@@H]1CCNC(=O)c1cc(B(O)O)ccc1F 585007852 POAHKIUXSGSLJL-LLVKDONJSA-N 294.135 -0.280 50 20 CBGD C[C@H](O)CC(C)(C)CNCc1ccc(B(O)O)o1 585025320 RDNYFDNXUYQVLL-VIFPVBQESA-N 255.123 -0.154 50 20 CBGD CC(C)N1CC[C@@H](NCc2ccccc2B(O)O)C1=O 585029775 ULJYNFHWELCVTN-CYBMUJFWSA-N 276.145 -0.535 50 20 CBGD Cc1c(C(=O)NCB(O)O)[nH]c2c1C(=O)CCC2 585058277 WLPLLWMRWSANNQ-UHFFFAOYSA-N 250.063 -0.416 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)c2cccnc2)CCC1 729964926 HAFWRUMWYZWZDT-UHFFFAOYSA-N 276.296 -0.241 50 20 CBGD C[C@@H](C(=O)NNC(=O)NCC1CC1)N1CCN(C)CC1 732911475 BSRQNCQDYWXLCE-JTQLQIEISA-N 283.376 -0.637 50 20 CBGD CS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CC2)o1 733123751 DFHJNCDFCLQGHB-UHFFFAOYSA-N 272.282 -0.146 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1cc(C(=O)O)n(C)c1 745833908 HXQMGUSHIQFVLS-UHFFFAOYSA-N 290.301 -0.812 50 20 CBGD CC(C)OCCS(=O)(=O)NNC(=O)c1cnn(C)c1 749011443 KZUXWVRHXZMLFE-UHFFFAOYSA-N 290.345 -0.591 50 20 CBGD CC(C)C(=O)NNC(=O)C1(C(=O)NC2CC2)CC1 749719383 OUQXCVXPGHLPAT-UHFFFAOYSA-N 253.302 -0.151 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)C1SCCS1 755283450 XQHRUKCMTMIQEA-UHFFFAOYSA-N 272.355 -0.094 50 20 CBGD CC[C@@H](CO)C(=O)NNC(=S)NCCSC 779829550 RTRDDXDMNWHYJV-ZETCQYMHSA-N 265.404 -0.137 50 20 CBGD COc1cccc(NNC(=O)[C@@H]2CN3CCCN2CC3)n1 780774791 PLHRHUULJIDEQH-NSHDSACASA-N 291.355 -0.077 50 20 CBGD COc1cc(C)nc(NNC(=O)C(=O)NCC2CC2)n1 788514809 OARBISOEQZOFOI-UHFFFAOYSA-N 279.300 -0.237 50 20 CBGD COc1cccc(C2=NO[C@H](C(=O)NNC(=O)CO)C2)c1 792659180 ZOWCUFXZXWCPSA-NSHDSACASA-N 293.279 -0.672 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)c1cccc(C)n1 794074282 AXFKOQZUAUKWGR-QMMMGPOBSA-N 264.285 -0.324 50 20 CBGD CCOC(=O)/C(C#N)=C\NCCn1cnc(C#N)n1 794736675 PYEKEWYSZOEVDI-CLFYSBASSA-N 260.257 -0.290 50 20 CBGD CN(C)[C@H](C(=O)NNC(=O)C1CC1)c1cncn1C 798151314 INIWRZGJLFBTGV-JTQLQIEISA-N 265.317 -0.420 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](O)c1cccnc1 803956869 HOROKBCKPMTIAZ-LDYMZIIASA-N 295.295 -0.396 50 20 CBGD COc1cccc([S@@](=O)CC(=O)NN(C)C(N)=O)c1 819448930 GKLJEMUNADLHGC-IBGZPJMESA-N 285.325 -0.156 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 823847314 VENKNBZPUPQGTE-LBPRGKRZSA-N 283.372 -0.020 50 20 CBGD CC(=O)NNC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1 825297122 JOJNEUHCTMJALC-NXEZZACHSA-N 295.320 -0.142 50 20 CBGD O=C(CCNC(=O)[C@H]1CCCN1)NNc1ncccn1 826726389 OXIRPHUGBNRCKZ-SECBINFHSA-N 278.316 -0.822 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]21 832754853 URMIFIPRGRRLKH-AEJSXWLSSA-N 297.355 -0.400 50 20 CBGD Cc1nonc1CC(=O)NNC(=O)NCC1CC1 845300836 ZAXWRLVGEBZODE-UHFFFAOYSA-N 253.262 -0.339 50 20 CBGD O=C(NN=c1cc[nH]cc1)[C@@H]1CCCS(=O)(=O)C1 845927737 RRDYMUWDYGSSPE-SECBINFHSA-N 269.326 -0.229 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)OCCOCCO)cn1 849791063 DZKIECRQWQDLRQ-WDZFZDKYSA-N 265.269 -0.121 50 20 CBGD CC[C@H]1COCC1=NNC(=O)[C@H](C)NS(C)(=O)=O 853303761 QYDVKFUADMYDTO-YUMQZZPRSA-N 277.346 -0.547 50 20 CBGD Cn1nc(C(=O)NNC(=O)[C@@H]2CCCCO2)cc1O 854683812 UQEOVTDLWVCPDJ-QMMMGPOBSA-N 268.273 -0.544 50 20 CBGD CNC(=O)NCC(=O)NNC(=S)N[C@H](C)C1CC1 855098101 DKTRHKODEVPOOQ-ZCFIWIBFSA-N 273.362 -0.791 50 20 CBGD C[C@@H]1C[C@@H]1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858140564 IKRZEVSYHUYREJ-PRJMDXOYSA-N 254.290 -0.749 50 20 CBGD CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858512560 SUVRTDFLHFNLMK-VGMNWLOBSA-N 268.317 -0.359 50 20 CBGD CO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858516091 DSOSHEFJYPIPKH-IWSPIJDZSA-N 284.316 -0.837 50 20 CBGD CN(Cc1ccco1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858691819 LWAQUMPAICSVIU-VIFPVBQESA-N 280.284 -0.269 50 20 CBGD CCn1ccnc1C(C)=NNC(=O)CS(C)(=O)=O 863186070 MWCRJOWOHKSXJP-UHFFFAOYSA-N 272.330 -0.212 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1 863903568 LOHQSSNBIJERRS-LLVKDONJSA-N 291.307 -0.712 50 20 CBGD Cc1ccn(C[C@@H](C)C(=O)N2CC[C@H](B(O)O)C2)n1 864231430 MUAPEQHWXZXZKC-KOLCDFICSA-N 265.122 -0.097 50 20 CBGD C#CCCCC(=O)NNS(=O)(=O)c1cn(C)c(C)n1 901966827 TWJDEHICXJNMGZ-UHFFFAOYSA-N 284.341 -0.158 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 910152479 MBRCEZUAQPARFS-AEJSXWLSSA-N 257.334 -0.378 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 913433566 KGKWWDJLWQGPCL-JBLDHEPKSA-N 286.328 -0.388 50 20 CBGD C#CCCCCC(=O)NNC(=O)CN1CCCC1=O 913732052 GKAXYYLPJXBDBV-UHFFFAOYSA-N 265.313 -0.050 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1C[C@]12CCOC2 913732511 ZBGIIRGBDQLUFW-ZANVPECISA-N 281.312 -0.817 50 20 CBGD COC(=O)CCN(C)S(=O)(=O)NCCCSC#N 916979410 MDDBLVYHQCPDGE-UHFFFAOYSA-N 295.386 -0.080 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCOCC[C@H]1C 934451827 FNHQESLZWLHZQT-SNVBAGLBSA-N 257.334 -0.099 50 20 CBGD O=C(NNC(=O)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1)c1cn[nH]c1 1118865306 ZYTPHOJFIZHTKN-UKKRHICBSA-N 289.295 -0.351 50 20 CBGD Cc1nn(C)cc1CCC(=O)NNC(=O)N(C)C 1251881885 IDQGHFSHNOLJOO-UHFFFAOYSA-N 253.306 -0.036 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=O)c1ccc(OC)cc1 1252776627 WZEGXMKQALWGRT-CYBMUJFWSA-N 282.296 -0.146 50 20 CBGD CN(C)N(C(=O)CSCC#N)[C@H]1CCS(=O)(=O)C1 1317822015 LNWSUQVTVDQRCR-VIFPVBQESA-N 291.398 -0.265 50 20 CBGD CS(=O)(=O)CCN1CCC(NC(=O)CCl)CC1 1319674324 KSHTUEUEDJSOEH-UHFFFAOYSA-N 282.793 -0.150 50 20 CBGD Cc1cnc(COCC(=O)NNC(=O)Cc2cc[nH]n2)o1 1323566080 ICEKQIHLJNMDGL-UHFFFAOYSA-N 293.283 -0.387 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(F)nc1 1323927166 JUYJGZGYZPZRHC-UHFFFAOYSA-N 254.221 -0.283 50 20 CBGD NC(=O)N1CCC[C@H]1C(=O)NNc1ncncc1F 1324304653 LJBKPOLIUFFZSE-ZETCQYMHSA-N 268.252 -0.398 50 20 CBGD CC(C)NC(=O)NNC(=O)CCS(C)(=O)=O 1327816332 RTUPSLYBCCCBQU-UHFFFAOYSA-N 251.308 -0.840 50 20 CBGD CCOc1cc(C(=O)NNC(=O)N2CCOCC2)[nH]n1 1330790908 QIQWDUGPGBQYQL-UHFFFAOYSA-N 283.288 -0.505 50 20 CBGD Cc1ccc(C(=O)NCC(=O)N2CC[C@@H](B(O)O)C2)s1 1331897631 YDXJXVNQOHLSHS-SECBINFHSA-N 296.157 -0.138 50 20 CBGD C[C@@H]1CN(C(=O)NNC(=O)c2cccnn2)CCO1 1333607800 MZUMKIOGKHJFLF-MRVPVSSYSA-N 265.273 -0.448 50 20 CBGD NC(=O)N1CCC[C@@H](C(=O)NNC(=O)CC(F)(F)F)C1 1334459277 RMYPQUUBUBFWCI-ZCFIWIBFSA-N 296.249 -0.123 50 20 CBGD Cn1nccc1NC(=O)C(=O)NNC(=O)C(C)(C)C 1341766747 XBRAHAASJNTEBQ-UHFFFAOYSA-N 267.289 -0.448 50 20 CBGD CC(=O)N1CCC[C@@H](C(=O)NNc2cnnn2C)C1 1343974904 PVPOXFJCSXGHQJ-SECBINFHSA-N 266.305 -0.483 50 20 CBGD NC(=O)CN(C1CCOCC1)S(=O)(=O)CCl 1349772911 GYDTWSDUEWZKPY-UHFFFAOYSA-N 270.738 -0.521 50 20 CBGD O=C(NNC(=S)NCC1CCC1)[C@H]1C[C@@H](F)CN1 1574333315 BRUVCFKGEIHANI-RKDXNWHRSA-N 274.365 -0.018 50 20 CBGD C[C@H](N)[C@H](C)C(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1 1576087564 DAEAXYMBZXEFDL-NHCYSSNCSA-N 298.387 -0.630 50 20 CBGD NCCCCCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1580293318 PPPJVDFXTFAFIA-SECBINFHSA-N 285.348 -0.886 50 20 CBGD C=C[C@@H]1OCCC[C@H]1NC(=O)NNC(=O)C(=O)O 1588913738 LBWVDJBHKFQKEA-RQJHMYQMSA-N 257.246 -0.865 50 20 CBGD CC[C@@H](C)C(=O)NNS(=O)(=O)CCC(=O)O 1594866073 OWKNFRVHZLNVJH-ZCFIWIBFSA-N 252.292 -0.542 50 20 CBGD Cc1noc(C)c1[C@@H](C)NC(=O)NNC(=O)C(=O)O 1600807926 FFSARYPMNHYIIN-SCSAIBSYSA-N 270.245 -0.233 50 20 CBGD O=C(Cn1cc(C(=O)O)cn1)NNC(=O)NC1CC1 1601379194 BVTMKYQQPVAEMW-UHFFFAOYSA-N 267.245 -0.926 50 20 CBGD CC[C@H](C(=O)O)N(C)C(=O)c1cc(B(O)O)ccc1F 1603492183 HTAMJEDKLRKMDH-SNVBAGLBSA-N 283.064 -0.559 50 20 CBGD N#C/C(=C/C1CC1)C(=O)OCC(=O)NCC(=O)O 1605576207 JXHJGEGFTRXKDE-BAQGIRSFSA-N 252.226 -0.410 50 20 CBGD CCCC(=O)N1CCC[C@@H](C(=O)NNC(=O)NC)C1 48950860 FRPUHFGBELCEGE-SECBINFHSA-N 270.333 -0.015 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)Cc1cnn(C)c1 111194631 SBUPSAHWISCDIP-VIFPVBQESA-N 267.333 -0.202 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)cn1 130021257 ALQNPGFQSJDWMB-VIFPVBQESA-N 252.274 -0.250 50 20 CBGD COC(=O)[C@@H]1COCCN1S(=O)(=O)CCCCl 163533975 CPDCTAURUMFFRI-QMMMGPOBSA-N 285.749 -0.181 50 20 CBGD O=C(CO)NNC(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 180951690 AAFZWSPWYPGGSC-UHFFFAOYSA-N 292.295 -0.681 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)COCc2ccnn2C)O1 294233559 MYTLDZDUFJMVDZ-ONGXEEELSA-N 296.327 -0.348 50 20 CBGD COC1(CO)CCN(S(=O)(=O)CCl)CC1 401829467 NBCMKHNJMIJLPP-UHFFFAOYSA-N 257.739 -0.014 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cccc2c1OCO2 495326251 IIRHSDUHDVNKRU-UHFFFAOYSA-N 281.224 -0.259 50 20 CBGD O=C(NCCOCC(F)(F)F)c1ccc(B(O)O)cc1 584926761 ARLBPRDWWDZOIJ-UHFFFAOYSA-N 291.034 -0.325 50 20 CBGD Cc1cn2c(n1)CC[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 584936299 HADMALOTECLZPH-ZDUSSCGKSA-N 299.139 -0.384 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCN(C2CCC2)CC1 584944586 CAMQNCAEDNDXOF-UHFFFAOYSA-N 288.156 -0.323 50 20 CBGD CC(C)N1CC[C@H](NC(=O)c2ccc(B(O)O)cc2)C1=O 584947133 HASUHRNXNBLRSS-LBPRGKRZSA-N 290.128 -0.895 50 20 CBGD C[C@@H](O)[C@@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 584971010 JDXGAVULYPMFSG-MFKMUULPSA-N 277.129 -0.258 50 20 CBGD CCCN1CC[C@@H](NC(=O)c2cccc(B(O)O)c2)C1 585006272 SSPDPQRVGRJGAV-CYBMUJFWSA-N 276.145 -0.420 50 20 CBGD Cc1nn(C)c(C)c1CCNCc1ccc(B(O)O)o1 585015344 XMBSRSBPAYPCJS-UHFFFAOYSA-N 277.133 -0.358 50 20 CBGD OC[C@@H](CNCc1ccccc1B(O)O)[C@@H]1CCOC1 585039038 MSXNALWYCDSUCH-CHWSQXEVSA-N 279.145 -0.899 50 20 CBGD C[S@](=O)[C@@H]1CCC[C@@H](NCc2ccc(B(O)O)o2)C1 585047466 PPTCQHLTAYVGJT-UYKLKCEZSA-N 285.174 -0.261 50 20 CBGD COc1ncc(C(=O)NCB(O)O)cc1Br 585062118 BIYTYPYLJIIOAM-UHFFFAOYSA-N 288.894 -0.406 50 20 CBGD CCc1cc(N2CC[C@H](B(O)O)C2)n2ncnc2n1 585074287 VYDJIZIPCZOLCK-QMMMGPOBSA-N 261.094 -0.260 50 20 CBGD O=C(CN1CCCC1=O)NN=C1CCCS(=O)(=O)C1 731925302 XKJYKOJNZHUYQV-UHFFFAOYSA-N 287.341 -0.710 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1ccc(C(=O)O)o1 737349711 HSFJEAHMIVULMA-UHFFFAOYSA-N 277.258 -0.558 50 20 CBGD Cc1ccc(C(=O)NNC(=O)c2n[nH]c(O)n2)o1 752824230 LLKJJHZDCSYQDS-UHFFFAOYSA-N 251.202 -0.513 50 20 CBGD CNC(=O)NNC(=O)c1cc2nn[nH]c2cc1F 753803045 QDLIOFWIMOWYDZ-UHFFFAOYSA-N 252.209 -0.329 50 20 CBGD Cc1cc(C(=O)NNC(=O)Cc2cc[nH]n2)ncn1 755277387 QXWUGZWXVMUDDI-UHFFFAOYSA-N 260.257 -0.488 50 20 CBGD COCC(=O)NNC(=S)NCC1CCN(C)CC1 760497606 VHFURLZORUWLNS-UHFFFAOYSA-N 274.390 -0.530 50 20 CBGD NS(=O)(=O)NNC(=O)CSc1ccccc1O 763411476 RUGNYHLSOIFLTD-UHFFFAOYSA-N 277.327 -0.691 50 20 CBGD CCn1cc(CC(=O)NNC(=O)CN(C)C)cn1 781921835 YAPICXNEIBPOGT-UHFFFAOYSA-N 253.306 -0.846 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)N(C)C(C)C 782479112 YNRCFHGDILLPGX-UHFFFAOYSA-N 252.340 -0.263 50 20 CBGD CN(C)N(C(=O)C1CC(=O)C1)[C@@H]1CCS(=O)(=O)C1 792851229 UMIGJEUXMLROIE-SECBINFHSA-N 274.342 -0.542 50 20 CBGD COC(=O)[C@@H](C)N(C)CC(=O)NNC(=O)C1CC1 796496256 DAEBILPEBLWMPO-SSDOTTSWSA-N 257.290 -0.963 50 20 CBGD COc1cc(C(=O)NNC(=O)NCC(F)(F)F)nn1C 798314523 PDLXYTBAIKNWLG-UHFFFAOYSA-N 295.221 -0.065 50 20 CBGD CN(CCOCCO)CC(=O)NNC(=O)C(C)(C)C 800507972 FYHUGNNGLZUINT-UHFFFAOYSA-N 275.349 -0.879 50 20 CBGD O=C(CN1CCCCC1=O)NNC(=O)N=c1cc[nH]cc1 802031383 HLHCYMLKPXIJCA-UHFFFAOYSA-N 291.311 -0.331 50 20 CBGD COC(=O)C[C@H](C)CC(=O)NNC(=O)Cc1cc[nH]n1 809667477 IZJJDJXTEXWXCA-MRVPVSSYSA-N 282.300 -0.311 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)N2CCOCC2)n1 810593622 DMNNNMHZIWFJLJ-UHFFFAOYSA-N 275.268 -0.360 50 20 CBGD C[C@@](O)(C(=O)NNC(=O)C(=O)N1CCCC1)C1CCC1 813428743 FCQQOIPOMZJZRP-ZDUSSCGKSA-N 283.328 -0.693 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cn(C(C)(C)C)nn1 823928119 LDDXMCRQISSTCE-QMMMGPOBSA-N 255.322 -0.010 50 20 CBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NN(C)[C@@H](C)CO 823929480 ZHHOXVODKRZKDR-FZMZJTMJSA-N 297.355 -0.748 50 20 CBGD COc1ccc(NNC(=O)C2=NN3CCCN=C3N2)nc1 832648656 DJFFWAAAMCJWFZ-UHFFFAOYSA-N 289.299 -0.488 50 20 CBGD C[C@@H](N)CNC(=O)NNC(=O)COc1ccc(F)cc1 841984049 IKUQYYQGIGATBT-MRVPVSSYSA-N 284.291 -0.118 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@@H]1CCOC1 854280871 GVRBIVAMQMMLMP-SECBINFHSA-N 275.374 -0.103 50 20 CBGD O=C(C[C@@H]1CCCC(=O)N1)NNC(=O)c1cc[nH]n1 855355707 FHYPXMLZIPLYID-ZETCQYMHSA-N 265.273 -0.771 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@H](C)[C@H](CO)C1 856797933 MIBMVKRQETZJIX-QWRGUYRKSA-N 271.361 -0.260 50 20 CBGD Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 860799564 LYSMJQQSGRREIK-VIFPVBQESA-N 277.284 -0.179 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)C2CC3(CC3)C2)N1 862464383 XSNSDZKRGVVUKB-QMMMGPOBSA-N 251.286 -0.397 50 20 CBGD C[C@@H](NC(=O)C1CCCC1)C(=O)NNC(=O)c1cn[nH]c1 862474110 FZPGYQUALVQRCN-MRVPVSSYSA-N 293.327 -0.134 50 20 CBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cc(C(N)=O)n(C)c1 863145866 QRSQJPGLYXRRBZ-VIFPVBQESA-N 291.311 -0.757 50 20 CBGD CCCC[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)OC 863878502 GXWGKHVYRNDIRV-GFCCVEGCSA-N 293.128 -0.172 50 20 CBGD COCCOCC(=O)NNC(=O)c1cn2c(n1)CCCC2 869905522 NQCYOOQNSBRGBE-UHFFFAOYSA-N 296.327 -0.357 50 20 CBGD C#Cc1cncc(C(=O)NNC(=O)COCCOC)c1 869906882 VEMAUCVBUKLBAL-UHFFFAOYSA-N 277.280 -0.513 50 20 CBGD O=C(N[C@H]1CCC[C@@H]1O)c1cc(B(O)O)ccc1F 871114400 ZJCBVYNWONIQSK-QWRGUYRKSA-N 267.065 -0.851 50 20 CBGD COC(=O)[C@@H](O)CNC(=O)[C@]1(C)C[C@H]1Br 907160752 DWCQVKHMXRNVBJ-CCGCGBOQSA-N 280.118 -0.190 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCc2cnn(C)c2C1 910149362 DARIUUKIIRSGTJ-UWVGGRQHSA-N 266.345 -0.131 50 20 CBGD CC(C)CN1C[C@@H](C(=O)NN(C)C[C@H](C)O)CC1=O 910172972 IAIRYPLADAVCPA-QWRGUYRKSA-N 271.361 -0.165 50 20 CBGD O=C(NNC(=O)[C@H]1CC(=O)N(C2CC2)C1)NC1CC1 920823240 HNOBMHFNHCRFCK-ZETCQYMHSA-N 266.301 -0.510 50 20 CBGD C[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)n1ccnc1 1115921777 RDHCDWXGAOEBQY-SECBINFHSA-N 279.300 -0.786 50 20 CBGD CNC(=O)c1cccc(C(=O)NNC(=O)C(C)C)n1 1116276843 BYNNQDHMGBUPLG-UHFFFAOYSA-N 264.285 -0.142 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@H]2C[C@]23CCOC3)nn1 1116600866 ROMWNZBSVZJQSC-KRTXAFLBSA-N 277.284 -0.555 50 20 CBGD CN1CC[C@H](NC(=O)NNC(=O)Cc2cccnc2)C1=O 1116655264 NXMZRQUVNJUFJR-JTQLQIEISA-N 291.311 -0.815 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCC#N 1116828940 CQBZXCKLEPBWDB-QMMMGPOBSA-N 258.278 -0.718 50 20 CBGD Cn1nc(C2CC2)nc1C(=O)NNC(=O)C1CCNCC1 1118844176 CEFQQFXGBHXGBC-UHFFFAOYSA-N 292.343 -0.547 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCOC3(CCC3)C2)N1 1119492231 QSLNFRKIVNCNEX-ZJUUUORDSA-N 295.339 -0.238 50 20 CBGD Cc1ncncc1C(=O)NNC(=O)CN1CCCC1=O 1262186282 VBUYNXNURXGGFG-UHFFFAOYSA-N 277.284 -0.832 50 20 CBGD Cn1cc(C(=O)NNC(=O)C2CCOCC2)cn1 1318656761 OQRBJMRMHOPXSS-UHFFFAOYSA-N 252.274 -0.392 50 20 CBGD C[C@H]1C[C@@H]1C(=O)NNC(=O)C(=O)Nc1ccccn1 1320318403 YOJUWFOZQDSFTJ-YUMQZZPRSA-N 262.269 -0.177 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCc1cnccn1 1326013274 LYHKNFBZTCLUEA-GXSJLCMTSA-N 293.327 -0.226 50 20 CBGD C[C@@H](NC(=S)NNC(=O)c1cnn(C)c1N)C1CC1 1328356092 DTUMPSFVIPGRDO-ZCFIWIBFSA-N 282.373 -0.090 50 20 CBGD CCn1nccc1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329753552 ISPNSJBKFZAEOF-VIFPVBQESA-N 294.315 -0.988 50 20 CBGD O=C(NNc1ncnc2[nH]cnc12)[C@H]1CCS(=O)(=O)C1 1329992666 XSVRSIROYXVYPM-LURJTMIESA-N 296.312 -0.769 50 20 CBGD CC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)o1 1330109886 XLBHHTWHFKLMSW-ZETCQYMHSA-N 279.252 -0.478 50 20 CBGD CC(C)n1cc(C(=O)NNC(=O)CS(C)(=O)=O)cn1 1331736663 NPYFEGVHKWYYGA-UHFFFAOYSA-N 288.329 -0.730 50 20 CBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cnn(C)c2)CO1 1332117566 BJWLVTWNDLVUPB-APPZFPTMSA-N 267.289 -0.459 50 20 CBGD COC(=O)N(C)NC(=O)COCc1nncn1C 1343972974 OSPFDLMYYBDHAP-UHFFFAOYSA-N 257.250 -0.939 50 20 CBGD CO[C@H](C=NNC(=O)[C@H]1CCC(=O)N1)[C@H]1CCOC1 1348411635 NBMMPPBHGAYDQZ-IVZWLZJFSA-N 269.301 -0.582 50 20 CBGD CCNCCNC(=O)NNc1nncc(N)c1Cl 1348556219 VDAQFVYYBNFPLP-UHFFFAOYSA-N 273.728 -0.052 50 20 CBGD COCC[C@H](N)C(=O)NNC(=O)c1cccc(N(C)C)c1 1578997342 DNGWTWHPLPUTMN-LBPRGKRZSA-N 294.355 -0.123 50 20 CBGD CN(C)CC1(CNC(=O)NNC(=O)C(=O)O)CCCC1 1598205109 TZMWSDWPAGXDKZ-UHFFFAOYSA-N 286.332 -0.477 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cc(C(=O)O)ccc1O 1598864785 PAHPKWGFFCDKBE-UHFFFAOYSA-N 295.251 -0.104 50 20 CBGD O=C(O)C(=O)NNC(=S)Nc1ccc2c(c1)OCCO2 1601635550 HDNLYVKMKQZOGM-UHFFFAOYSA-N 297.292 -0.140 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@]1(C(=O)O)CC1(C)C 1604057825 VHEGOFUMJJEMON-LLVKDONJSA-N 257.290 -0.804 50 20 CBGD C[C@H](CC(=O)O)CC(=O)NNc1nccn(C)c1=O 1604106761 QVJMFDAVFOELDF-ZETCQYMHSA-N 268.273 -0.276 50 20 CBGD O=C(O)CNC(=O)CN1C[C@H]2[C@H](Br)[C@H]2C1 1608752001 GBASNKDFXNSPNT-KPCSLPGQSA-N 277.118 -0.488 50 20 CBGD Cc1nn(C)c(C)c1C=NNC(=O)NCC(=O)O 1610569324 VVELHVVRBYJODJ-UHFFFAOYSA-N 253.262 -0.245 50 20 CBGD CN1CCC[C@@H]1C(=O)NNC(=O)c1cnn(C)c1 117820276 ZNFBIFCXAUMTCJ-SECBINFHSA-N 251.290 -0.725 50 20 CBGD O=S(=O)(CBr)N1CC[C@@H](CO)C1 156851950 NYTPGLVCAAWHOA-ZCFIWIBFSA-N 258.137 -0.017 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)c2ccccc2O)C1 268026891 SXUQUTFHTKVDTO-LLVKDONJSA-N 279.296 -0.516 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1ncccc1O 275355846 SUJMCFNDWCNRBM-UHFFFAOYSA-N 266.257 -0.526 50 20 CBGD CS(=O)(=O)C1(C(=O)NNC(=O)c2ccccc2O)CC1 280757184 LONYSRRCHPPKNG-UHFFFAOYSA-N 298.320 -0.270 50 20 CBGD COCCN(C)CCNC(=O)NNc1ncncc1F 292711247 ORSXEZBJNQFDGJ-UHFFFAOYSA-N 286.311 -0.180 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)/C=C/c1cncc(F)c1 491504347 HIGCIIYYSOFKIT-ONEGZZNKSA-N 294.286 -0.094 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCN2C(=O)OC[C@@H]2C1 493881378 ZDQTYULFJFOTNT-IUCAKERBSA-N 284.316 -0.931 50 20 CBGD CC[C@](C)(C#N)NC(=O)c1cc(B(O)O)ccc1F 584937639 WPUSLGAZMNSOBO-GFCCVEGCSA-N 264.065 -0.072 50 20 CBGD CCC1(O)CCN(C(=O)c2cccc(B(O)O)c2)CC1 584953500 VVASBEBMXAUVAE-UHFFFAOYSA-N 277.129 -0.257 50 20 CBGD CSCC[C@H](CO)NC(=O)c1ccc(B(O)O)cc1 584962456 GLTHJRZHVBNFMU-LLVKDONJSA-N 283.158 -0.790 50 20 CBGD O=C(NCC1(CF)CC1)c1cccc(B(O)O)c1 584990305 TUMVRNDJRNTWAK-UHFFFAOYSA-N 251.066 -0.154 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@H](O)CC1 584993860 AGPIQNMYKUVKEK-JTQLQIEISA-N 281.092 -0.508 50 20 CBGD CCOC[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)CCO1 585010041 IKBPWEWTPUWKDA-ZDUSSCGKSA-N 293.128 -0.756 50 20 CBGD CC(C)(C)N1C[C@H](NCc2cccc(B(O)O)c2)CC1=O 585025892 GEYKSEPDOLYXLX-CYBMUJFWSA-N 290.172 -0.145 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)cc1)c1nnc2n1CCC2 585034976 WOCCSVKMWLZHRZ-SNVBAGLBSA-N 286.144 -0.245 50 20 CBGD CC[C@H]1CN(CCNCc2ccc(B(O)O)o2)CCO1 585038451 FTHHPDPNOYNLPM-NSHDSACASA-N 282.149 -0.840 50 20 CBGD OB(O)c1ccccc1CN1CCc2n[nH]cc2C1 585050316 WSKFACSNPZEWBL-UHFFFAOYSA-N 257.102 -0.352 50 20 CBGD CCCN(CCC)S(=O)(=O)N1CC[C@@H](B(O)O)C1 585057297 BQYGMSCXOHHQEW-SNVBAGLBSA-N 278.183 -0.098 50 20 CBGD O=C(CCCNC(=O)c1ccc(F)cc1)NCB(O)O 585061959 ODOAAXVTXUCARA-UHFFFAOYSA-N 282.080 -0.536 50 20 CBGD Cc1cc(C)n(CC(=O)N2CC[C@H](B(O)O)C2)n1 585068574 BZWAVKUICCGHJH-JTQLQIEISA-N 251.095 -0.425 50 20 CBGD CN(C)CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 728161999 SKLOVWWVDBOQFZ-SECBINFHSA-N 263.363 -0.960 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCN(C)C(=O)C1 732083148 VUIRUTFCHKCILR-QMMMGPOBSA-N 279.300 -0.652 50 20 CBGD CCN(CC(=O)NNC(=O)C1CC1)C[C@@H]1CCOC1 734152142 PWPGNHUMQVOIPV-JTQLQIEISA-N 269.345 -0.098 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C1=COCC1 740852875 NCLGHQMGCYFCGW-UHFFFAOYSA-N 269.301 -0.257 50 20 CBGD COCCN(CCOC)CC(=O)NNC(=O)C(C)(C)C 744384787 HXRCCOKGIMAMRE-UHFFFAOYSA-N 289.376 -0.225 50 20 CBGD O=C(CCc1ccoc1)NNC(=O)C(=O)NC1CC1 753279448 ICDMRJMBZWXNCV-UHFFFAOYSA-N 265.269 -0.362 50 20 CBGD CCN1CCN(CC(=O)NNC(=O)C2CC2)C[C@H]1C 754387809 RAAZPNJHBHTTPJ-SNVBAGLBSA-N 268.361 -0.430 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)c1cnc2[nH]nnc2c1 755446908 SJPXMWYDPVZOHN-UHFFFAOYSA-N 297.278 -0.248 50 20 CBGD Cn1cnc(C(=O)NNC(=O)COc2ccccc2O)c1 759012429 LDIXGJXOYRKELB-UHFFFAOYSA-N 290.279 -0.034 50 20 CBGD O=C(NNC(=O)c1nnc(O)nc1O)c1ccccc1 765459828 ANMPTOAWHPHXRB-UHFFFAOYSA-N 275.224 -0.642 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CCC[C@H](C(N)=O)C1 787250518 APTUEZXEIOHJMQ-IUCAKERBSA-N 270.333 -0.029 50 20 CBGD CN(C)CC(=O)NNc1ccc(-n2ccnc2)nn1 804958750 LEBBZMPVOXDSDG-UHFFFAOYSA-N 261.289 -0.333 50 20 CBGD CC(C)CC(=O)NNC(=O)NCCn1cnc(C#N)n1 805823093 ATFVDJLRIVBZSR-UHFFFAOYSA-N 279.304 -0.474 50 20 CBGD CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)s1 821634054 PUBWHECIZWXKBO-UHFFFAOYSA-N 267.274 -0.498 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H](O)Cc1ccccc1 823928958 SWBSUXKSKVGTJV-JQWIXIFHSA-N 252.314 -0.066 50 20 CBGD CC(C)(C)NCCC(=O)NNC(=O)c1cc[nH]n1 824835388 SHJAOKQPYSGHKX-UHFFFAOYSA-N 253.306 -0.051 50 20 CBGD CNC(=O)C[C@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 826922824 GEVWSJAJTUTBHC-YIZRAAEISA-N 286.332 -0.734 50 20 CBGD COC[C@H](OC)C(=O)NNc1nc(C)cc(OC)n1 829488194 QBYFUWKOKUCSCL-QMMMGPOBSA-N 270.289 -0.102 50 20 CBGD CSCCNC(=S)NNC(=O)c1cc(O)n(C)n1 831575739 VPMJNEAMVGHEPL-UHFFFAOYSA-N 289.386 -0.402 50 20 CBGD CCCNC(=O)NNC(=O)Cc1nc(C2CC2)nn1C 843775711 DLCOVKODIAEKHV-UHFFFAOYSA-N 280.332 -0.025 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccn(CC)n1 843806523 VXXQCBSHVLBRLT-UHFFFAOYSA-N 295.343 -0.031 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@H]2CCS(=O)(=O)N2)n1 845141202 NZZMQBAOEBNCPK-MRVPVSSYSA-N 285.329 -0.772 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C2(S(N)(=O)=O)CC2)o1 845740340 ZGXVUSCFZRWNGT-UHFFFAOYSA-N 287.297 -0.830 50 20 CBGD COCCCNC(=O)NN=Cc1c(C(=O)O)cnn1C 848404082 JQBUSGFXKWPQNN-UHFFFAOYSA-N 283.288 -0.212 50 20 CBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C1(O)CCC1 855833813 RSGMKRGSHQRFLB-UHFFFAOYSA-N 299.371 -0.009 50 20 CBGD Cc1nn(C)c(C)c1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 860863726 IVTKBQCWFKSBML-QMMMGPOBSA-N 294.315 -0.532 50 20 CBGD CO[C@@H](CC(C)C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862462508 XIWVKYXHCUVQTQ-IUCAKERBSA-N 271.317 -0.527 50 20 CBGD CCCn1nccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862464448 YVECCDYMRSAQMW-QMMMGPOBSA-N 279.300 -0.667 50 20 CBGD CC(C)n1ncc(C(=O)NNC(=O)c2cn[nH]c2)c1N 862469749 BFNPLDPZXPXZOE-UHFFFAOYSA-N 277.288 -0.156 50 20 CBGD Cc1ncc(S(=O)(=O)NNC(=O)C2CCC2)n1C 863403596 KNDXGYUBVIKCOY-UHFFFAOYSA-N 272.330 -0.162 50 20 CBGD C#C[C@H](NCc1ccc(B(O)O)cc1)[C@H]1CCCO1 863891758 YMYFKXHVGLIPQL-UONOGXRCSA-N 259.114 -0.363 50 20 CBGD COc1ncc(/C=C/C(=O)NN(C)C[C@H](C)O)cn1 910157907 BHGXMVJBKPRQQQ-MOVJSRMASA-N 266.301 -0.158 50 20 CBGD O=C(CCCN1C(=O)CNC1=O)NNC(=O)C1CCCC1 914848878 IWBWTKLCMGMUGA-UHFFFAOYSA-N 296.327 -0.344 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@H]2C=C[C@H]1C2 922046209 NXKJEMUZYTVLIX-WPRPVWTQSA-N 261.061 -0.094 50 20 CBGD NC(=O)C(=O)NN=Cc1ccc(-n2cncn2)cc1 1115827973 XBISDJSDHIECQY-UHFFFAOYSA-N 258.241 -0.797 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)C(=O)N1CCCC1 1115925787 XHSLTFMXSORFAE-UHFFFAOYSA-N 267.207 -0.291 50 20 CBGD CO[C@H]1C[C@H](NC(=O)NNC(=O)c2ncccn2)C1 1118864077 CCTQFLSAUDGIPG-ZKCHVHJHSA-N 265.273 -0.402 50 20 CBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NN=c1cc[nH]cc1Cl 1123692086 OXIZXRASMSGJEB-JOYOIKCWSA-N 295.774 -0.012 50 20 CBGD COc1ccc(C(=O)NNC(=S)NCC(N)=O)cc1 1318189338 SJAMAAMRQQEQHY-UHFFFAOYSA-N 282.325 -0.711 50 20 CBGD CCc1cc(NC(=O)C(=O)NNC(=O)C2CCC2)n(C)n1 1321152524 UMXKAVFGHZOHRO-UHFFFAOYSA-N 293.327 -0.132 50 20 CBGD CCN(C)C(=O)[C@@H](C)NC(=O)NNC(=O)c1cnn(C)c1 1326218738 LXAMVKCIWSYDGJ-MRVPVSSYSA-N 296.331 -0.769 50 20 CBGD O=C(NC[C@@H]1CCCO1)NNC(=O)c1cn[nH]c1 1328717868 DNVVBOPRIQBWCU-QMMMGPOBSA-N 253.262 -0.467 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1ccn(C)n1 1329556172 FONYDWAMPGNVAN-UHFFFAOYSA-N 258.303 -0.695 50 20 CBGD CCn1ncnc1C=NNC(=O)COCCOC 1330726744 CHZMQXKLBXXDAP-UHFFFAOYSA-N 255.278 -0.589 50 20 CBGD CC1(C(=O)NNC(=O)C(=O)NC2CC2)CC(F)(F)C1 1331756155 HLAWXSQVAXKGLJ-UHFFFAOYSA-N 275.255 -0.152 50 20 CBGD C[C@H]1CC(NC(=O)NNC(=O)C(=O)NC2CC2)C[C@H](C)O1 1336892792 BLDHLLKBDCROOI-YUMQZZPRSA-N 298.343 -0.449 50 20 CBGD O=C(CCO)NN=C1C(=O)Nc2cc(F)ccc21 1339929624 RTSAUMXCNUSIJN-UHFFFAOYSA-N 251.217 -0.020 50 20 CBGD CN(C)N(C(=O)[C@@]1(F)CCOC1)[C@@H]1CCS(=O)(=O)C1 1342849065 ARASERAGHOQMNE-MWLCHTKSSA-N 294.348 -0.393 50 20 CBGD CC(C)C[C@H](C(N)=O)C(=O)NNc1cnnn1C 1351218973 ZVZRMQKYQXFILJ-SSDOTTSWSA-N 254.294 -0.594 50 20 CBGD C#CCCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1351342960 XDKPCIABZCBTPE-MRVPVSSYSA-N 252.274 -0.991 50 20 CBGD O=C(NCCO[C@H]1CCOC1)NNc1ccncn1 1522462596 WMSYYJBJFBPJTO-VIFPVBQESA-N 267.289 -0.092 50 20 CBGD CC[C@H]1NCC[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 1577307695 GRWIGJMGQVOAAW-VHSXEESVSA-N 282.344 -0.856 50 20 CBGD C[C@](C#N)(CC(=O)O)C(=O)NNC(=O)C1CCOCC1 1588541814 MVCGKIWYCRABQT-GFCCVEGCSA-N 283.284 -0.435 50 20 CBGD CC[C@H](C)N(C)CCNC(=O)NNC(=O)C(=O)O 1594967488 YRVYZETUUWUTJK-ZETCQYMHSA-N 260.294 -0.868 50 20 CBGD CCn1cc(C=NNC(=O)NCC(=O)O)c(C)n1 1597881113 UYDFDATYLGLVAX-UHFFFAOYSA-N 253.262 -0.071 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)c1cc(C(=O)O)n[nH]1 1605669352 CDQYZTWFGGPLFU-UHFFFAOYSA-N 280.162 -0.179 50 20 CBGD CN(C)c1ccncc1C=NNC(=O)NCC(=O)O 1606065568 AEHXDBRROVYYJD-UHFFFAOYSA-N 265.273 -0.135 50 20 CBGD CN1CCC[C@H](CCNC(=O)NNC(=O)C(=O)O)C1 1606222390 CWINXEOXJVHGCP-MRVPVSSYSA-N 272.305 -0.867 50 20 CBGD CCOC(=O)/C(C#N)=C/NNC(=O)C(=O)NC(C)C 7707673 BDSVIXBWWNKVDR-SOFGYWHQSA-N 268.273 -0.898 50 20 CBGD CCN(C)C(=O)[C@@H](C)NC(=O)NNc1cccnn1 188002055 WWDRQDUOKLZJHI-MRVPVSSYSA-N 266.305 -0.031 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cccc(-n2cnnn2)c1 276328861 XVBSYSLXYJKQEX-UHFFFAOYSA-N 290.283 -0.806 50 20 CBGD CCOC(=O)NCC(=O)NNC(=O)CC(F)(F)F 490833548 XQUMMTDPEQXUPK-UHFFFAOYSA-N 271.195 -0.168 50 20 CBGD COC(=O)N(C)NC(=O)c1cc(S(N)(=O)=O)c(C)o1 495759741 DGGSRNGPZLLDTI-UHFFFAOYSA-N 291.285 -0.422 50 20 CBGD CCOCCCCNC(=O)c1cccc(B(O)O)c1 584931664 DDNQTTLHPFAMGB-UHFFFAOYSA-N 265.118 -0.087 50 20 CBGD Cc1nnc(CN(C)C(=O)c2cccc(B(O)O)c2)n1C 584945373 HPCGIYCGHRZFGK-UHFFFAOYSA-N 288.116 -0.924 50 20 CBGD C[C@@H](NC(=O)c1ccc(B(O)O)cc1)[C@H]1CCOC1 584951351 OJGMTQQVFYBVAS-KOLCDFICSA-N 263.102 -0.479 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 584956212 YQYPAOCHAHHDMO-AAVRWANBSA-N 287.124 -0.384 50 20 CBGD CO[C@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)C1(C)C 584957654 KHXHLHNBPLABNN-NEPJUHHUSA-N 277.129 -0.090 50 20 CBGD C[C@H](CCO)CNC(=O)c1cccc(B(O)O)c1 584959238 FDIAOFYOSNSETA-SECBINFHSA-N 251.091 -0.885 50 20 CBGD C[C@@H](O)[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584964036 CHIMSGFBERXFCO-ZYHUDNBSSA-N 277.129 -0.401 50 20 CBGD C[C@H]1OCC[C@@]1(C)NC(=O)c1cc(B(O)O)ccc1F 584972776 GXOIAZIZOOBBIZ-AMIZOPFISA-N 281.092 -0.197 50 20 CBGD OB(O)c1ccc(-c2noc([C@H]3CCOC3)n2)cc1 585050481 AJVIQFOYGJTWKT-VIFPVBQESA-N 260.058 -0.080 50 20 CBGD N#CCC1(CS(=O)(=O)N2CC[C@H](B(O)O)C2)CC1 585055822 FPBOXOYUNGGOKB-VIFPVBQESA-N 272.135 -0.441 50 20 CBGD CS(=O)(=O)CCCCNS(=O)(=O)CCl 692820444 YKLDYCKIYIBWLB-UHFFFAOYSA-N 263.768 -0.073 50 20 CBGD C[C@@H](C(=O)NNC(=O)C(C)(C)C)N1CCN(C)CC1 725886354 LKSRPDSMVHTCLP-JTQLQIEISA-N 270.377 -0.184 50 20 CBGD CC1=C(C(=O)NNC(=O)c2cnn(C)c2)C(=O)OC1(C)C 735443943 LGOKUPPWDWFTNA-UHFFFAOYSA-N 292.295 -0.167 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@](F)(C(=O)OC)C1 752308344 HBIRSKPSPMEWNJ-QPUJVOFHSA-N 289.307 -0.481 50 20 CBGD COCCOc1ccc(C(=O)NNC(=O)CO)cc1 753438077 BRGJBZNQYBPVMD-UHFFFAOYSA-N 268.269 -0.535 50 20 CBGD O=C(CO)NNC(=O)c1cn(-c2ccccc2)nn1 753439500 ZKQZGZJYUXDRHO-UHFFFAOYSA-N 261.241 -0.979 50 20 CBGD CCN1CCN(CC(=O)NNC(=O)C2CC2)C[C@@H]1C 754387806 RAAZPNJHBHTTPJ-JTQLQIEISA-N 268.361 -0.430 50 20 CBGD N#Cc1ccc(NCC(=O)NNC(=O)Cc2cc[nH]n2)nc1 755284911 HYFZSCQRASEBLC-UHFFFAOYSA-N 299.294 -0.522 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1CCc2n[nH]cc2C1 756948051 UJKQCOUQZUCOLN-SECBINFHSA-N 295.343 -0.119 50 20 CBGD O=C(CO)NNC(=O)c1scnc1Br 758545229 ZIGLRQIIQWUOBT-UHFFFAOYSA-N 280.103 -0.341 50 20 CBGD CO[C@H](C)C(C)=NNC(=O)[C@H](C)NS(C)(=O)=O 763172387 LGTIEHMFXIHSDV-JGVFFNPUSA-N 265.335 -0.549 50 20 CBGD O=C(NNC(=O)[C@@H](O)c1cccnc1)NC1CC1 764881897 UFIKKGLKFJREHS-VIFPVBQESA-N 250.258 -0.392 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@]1(O)CCSC1 770242557 FFNJPZMDXGTBGT-SECBINFHSA-N 295.455 -0.287 50 20 CBGD CCC[C@](C)(O)C(=O)NNC(=O)C(=O)N1CCCC1 770947825 JWXQYMMGVDBYKO-LBPRGKRZSA-N 271.317 -0.693 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)N2CCN(C)CC2)CC1 773675047 WIVQCBNXDPFFAI-UHFFFAOYSA-N 298.343 -0.682 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1cnn(CC)c1 781418209 MIHIHZIRGWGONZ-VIFPVBQESA-N 296.327 -0.065 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNc2ccc(C(N)=O)nn2)CO1 784791700 HVFUGOYIAIQWPX-RQJHMYQMSA-N 265.273 -0.556 50 20 CBGD Cc1cccc(C(=O)NNC(=O)c2ccc(C(N)=O)cn2)n1 794071927 IDSQTSSDBXBURB-UHFFFAOYSA-N 299.290 -0.041 50 20 CBGD C=CCNC(=S)NNC(=O)c1cc([N+](=O)[O-])n[nH]1 794609278 SKXPEZNXCCDNBR-UHFFFAOYSA-N 270.274 -0.387 50 20 CBGD CN1CCN(C(=O)NNC(=O)COC2CCCC2)CC1 807382213 BLMLNHZDSRQARY-UHFFFAOYSA-N 284.360 -0.066 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cc2n(n1)CCO2 810364226 QWXIQIPXVQQDAS-UHFFFAOYSA-N 276.256 -0.618 50 20 CBGD Cc1nn(C)cc1C1=NO[C@@H](C(=O)NN(C)C[C@H](C)O)C1 822555864 BTVSYCRKDAYJJL-QPUJVOFHSA-N 295.343 -0.435 50 20 CBGD COc1ccc(NC(=O)C(=O)NN(C)[C@@H](C)CO)cc1 823959912 SCOBCOAJCZYGGI-VIFPVBQESA-N 281.312 -0.023 50 20 CBGD CC(C)C[C@H](C(N)=O)C(=O)NNC(=O)c1cccn1C 839473081 YKTSKWJWKGRGLA-SECBINFHSA-N 280.328 -0.066 50 20 CBGD NC[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 843348159 ZLPSPCYKZXWYPX-VIFPVBQESA-N 254.334 -0.786 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(O)nc1 843641175 RZGZCPPGCNSUTD-VXNVDRBHSA-N 265.269 -0.027 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(N)=O)cn1 843648872 RZJGTUVLDPFGLX-APPZFPTMSA-N 292.295 -0.634 50 20 CBGD O=C(NN=Cc1cnon1)[C@@H]1CN2CCC[C@@H]2CO1 853391081 YERRMVAUABSCQJ-ZJUUUORDSA-N 265.273 -0.617 50 20 CBGD CN(C)[C@H](C(=O)NNC(=O)c1cc[nH]n1)c1cncn1C 855357092 ZYJVXECUCGOQFJ-JTQLQIEISA-N 291.315 -0.793 50 20 CBGD CSCCONC(=O)c1cccc(B(O)O)c1 863882375 ZWSWJUAGUZBPOP-UHFFFAOYSA-N 255.104 -0.609 50 20 CBGD O=C(/C=C/CN1CCOCC1)NNC(=O)c1ccncc1 864386318 ZWBIFLAVXLUQOT-OWOJBTEDSA-N 290.323 -0.269 50 20 CBGD CN([C@@]1(CO)CCOC1)S(=O)(=O)CBr 867338512 INDWXZKELNEYCE-SSDOTTSWSA-N 288.163 -0.248 50 20 CBGD CCO[C@H]1C[C@H]1C(=O)NNC(=O)Cc1cc(C)[nH]n1 869012220 KGBKDBOWEHZATG-ZJUUUORDSA-N 266.301 -0.167 50 20 CBGD OB(O)c1ccc(CNCCO[C@@H]2CCCCO2)cc1 894795101 RCQLKFGEEZUJJT-CQSZACIVSA-N 279.145 -0.001 50 20 CBGD C[C@@H](C(=O)NN(C)C[C@@H](C)O)N1CCSCC1 910160594 LHTJRUBNQKXSKA-ZJUUUORDSA-N 261.391 -0.233 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cccn1C)S(C)(=O)=O 915694818 BVOIPFGTHQPHFA-ZETCQYMHSA-N 273.314 -0.781 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@H]2CC[C@H]1[C@@H](O)C2 925065534 PMKPDPUDNYYGPE-XDTLVQLUSA-N 275.113 -0.648 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)NC1CCCC1 930965562 NXMKWWIPIQDPSO-SECBINFHSA-N 268.317 -0.120 50 20 CBGD CS(=O)(=O)NCC(=NNC(=O)CCO)c1ccccc1 1116428172 LLFHJPQATJMUDX-UHFFFAOYSA-N 299.352 -0.562 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccoc1CC(N)=O 1118280296 UHNZOMUVKYWBKT-JGVFFNPUSA-N 295.295 -0.507 50 20 CBGD CCO[C@H](C)C(=O)NNc1nc(O)c2cnn(C)c2n1 1253272644 IESIYFLKKCDUKG-ZCFIWIBFSA-N 280.288 -0.063 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)c1ncccn1 1261370027 VTNNTJSUCQVBEQ-QMMMGPOBSA-N 287.283 -0.908 50 20 CBGD COCCC[C@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1261842275 SISLJZCOVRCSKP-IUCAKERBSA-N 271.317 -0.525 50 20 CBGD Cc1[nH]ccc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1318954858 UBMSRYMLQRPOGS-MRVPVSSYSA-N 285.325 -0.481 50 20 CBGD Cn1cc(C(=O)NN=CC(C)(C)S(C)(=O)=O)cn1 1319705748 OPDJIARSRSGLTP-UHFFFAOYSA-N 272.330 -0.041 50 20 CBGD CN(C)C(=O)NNC(=O)CC[C@]1(C)CCC(=O)N1 1321080923 SLDYEDXVAHUMJU-NSHDSACASA-N 256.306 -0.262 50 20 CBGD COCCCn1nccc1C=NNC(=O)C(=O)OC 1321285807 GXRMPGGVMBFLGY-UHFFFAOYSA-N 268.273 -0.457 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1CCc2cnn(C)c2C1 1325129026 PDLYUGRJXIAUPN-QMMMGPOBSA-N 265.317 -0.173 50 20 CBGD Cc1ncc(C=NNC(=O)C(=O)NC(C)C)n1C 1327998714 HCQGUPGHHUIWAE-UHFFFAOYSA-N 251.290 -0.297 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H](C)CS(C)(=O)=O 1329334130 KLJWGAREWHOOBA-ZCFIWIBFSA-N 267.376 -0.866 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cnn(C(C)C)c1 1329884903 VYNMFZUTDNZHNV-UHFFFAOYSA-N 269.261 -0.210 50 20 CBGD CC(C)[C@]1(CO)CCN(C(=O)c2cccc(B(O)O)c2)C1 1332132297 SWBZQQAIGIMHMU-OAHLLOKOSA-N 291.156 -0.153 50 20 CBGD O=C(NNC(=O)N1CC(=O)N(C2CC2)C1)c1cn[nH]c1 1348122265 HAOYNRUIFJYSCF-UHFFFAOYSA-N 278.272 -0.972 50 20 CBGD COCCc1nsc(N2CC[C@H](B(O)O)C2)n1 1348490020 KLJQNTRYFCNEGX-ZETCQYMHSA-N 257.124 -0.220 50 20 CBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)c1cnn(C)c1 1574282030 MORIFKHSEWENTI-KBUNVGBDSA-N 266.257 -0.708 50 20 CBGD CC(C)(CN)CC(=O)NNC(=O)C1CCOCC1 1575315206 LVJHYHSCDXNVFW-UHFFFAOYSA-N 257.334 -0.065 50 20 CBGD NCCCCNC(=O)NNC(=O)N=c1cc[nH]cc1 1580294902 OTCMIZDIUJJAGG-UHFFFAOYSA-N 266.305 -0.422 50 20 CBGD COC(=O)Cc1ccc(NNC(=O)[C@@H](OC)C(=O)O)cc1 1593854111 FSBBLVRTYPAMQU-LLVKDONJSA-N 296.279 -0.055 50 20 CBGD CC1(CNC(=O)NNC(=O)C(=O)O)C[C@@H]2C[C@H]2C1 1594019354 APHUYMCEJRMWBG-BQBZGAKWSA-N 255.274 -0.162 50 20 CBGD Cc1ccc(C(=O)NNC(=O)c2cnn[nH]2)cc1C(=O)O 1600341092 MMEIDLBPZFSGEM-UHFFFAOYSA-N 289.251 -0.114 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)N2C[C@H](O)C[C@H]2C(=O)O)cn1 1600945539 HLUVCGVYTOZULB-VPPFHXDGSA-N 290.279 -0.627 50 20 CBGD O=C(NNc1ncccc1C(=O)O)C1=CCS(=O)(=O)C1 1605820801 FDBHZQHLBAMSGR-UHFFFAOYSA-N 297.292 -0.422 50 20 CBGD COc1ccccc1OCC(=O)NNC(=O)CC(=O)O 1607349473 YQULSMOOZYWYRG-UHFFFAOYSA-N 282.252 -0.304 50 20 CBGD CNC(=O)NNC(=O)[C@H]1Cc2ccccc2C(=O)O1 56376726 CQNHYQWTAQQTPS-SECBINFHSA-N 263.253 -0.272 50 20 CBGD CCS(=O)(=O)CCNC(=O)NNc1ccc(C)nn1 264399494 PSKOFTGRPFSVGC-UHFFFAOYSA-N 287.345 -0.154 50 20 CBGD CCOC(=O)NCC(=O)NNc1nc(C)cc(OC)n1 266923647 JHILCJOHTMXQGL-UHFFFAOYSA-N 283.288 -0.017 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)c1ccc[nH]1 268372770 KXLXENWSGZKMQQ-MRVPVSSYSA-N 267.289 -0.387 50 20 CBGD CC[C@@H](C)OCC(=O)NNC(=O)C(=O)NC1CC1 269725105 WKSBFUWAECGEKZ-SSDOTTSWSA-N 257.290 -0.773 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CCCC(N)=O 274879627 HUZHXILNWMATOJ-UHFFFAOYSA-N 252.274 -0.558 50 20 CBGD CO[C@H]1COC[C@@H]1NC(=O)NNC(=O)c1cccc(C)n1 292595608 SRXILOXKQIKFSU-QWRGUYRKSA-N 294.311 -0.252 50 20 CBGD CCn1ccnc1C(=O)NNC(=O)[C@@H]1CCCO1 294633864 LNSWKIFZVGBKMP-QMMMGPOBSA-N 252.274 -0.157 50 20 CBGD COC(=O)NCCC(=O)NNC(=O)NCc1ccco1 491265640 NNLIOMIHUVWXCQ-UHFFFAOYSA-N 284.272 -0.144 50 20 CBGD C#Cc1cccc(NC(=O)C(=O)NNC(=O)OC)c1 496627738 SNZNXOCEYABXHF-UHFFFAOYSA-N 261.237 -0.006 50 20 CBGD CC[C@](C)(CCO)NC(=O)c1cccc(B(O)O)c1 584970653 FECSJMFQLRHYQZ-CYBMUJFWSA-N 265.118 -0.353 50 20 CBGD CC[C@@](C)(CCO)NC(=O)c1ccc(B(O)O)cc1 584971036 JSDXMLXQMDOHNB-ZDUSSCGKSA-N 265.118 -0.353 50 20 CBGD CC(C)N(C)C[C@@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584990515 DZSQYQFNDMUFNF-SNVBAGLBSA-N 296.151 -0.036 50 20 CBGD COCC[C@H](C)CNC(=O)c1cccc(B(O)O)c1 584998693 BTHYZSJFTBNRNL-JTQLQIEISA-N 265.118 -0.231 50 20 CBGD OB(O)c1ccc(CNCCCN=c2cc[nH]cc2)cc1 585025981 HNETZJGXHZSZCO-UHFFFAOYSA-N 285.156 -0.225 50 20 CBGD C[C@@H](CCS(C)(=O)=O)NCc1ccc(B(O)O)cc1 585030813 JIMRRDZAXMTZHZ-JTQLQIEISA-N 285.174 -0.721 50 20 CBGD CCO[C@@H](CCN(C)C)CNCc1cccc(B(O)O)c1 585033742 JOYLDMNABZDQMQ-HNNXBMFYSA-N 294.204 -0.187 50 20 CBGD COCCOCCC(=O)NNC(=O)N1CCOCC1 745996408 WMNDENUXADNVDR-UHFFFAOYSA-N 275.305 -0.888 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@H]1CCOC1 752155457 OTDWFRHRRRBGCO-QMMMGPOBSA-N 296.283 -0.871 50 20 CBGD Cc1ncc(S(=O)(=O)NNC(=O)N(C)C)s1 754749664 WAYIWKXFUZEPCT-UHFFFAOYSA-N 264.332 -0.084 50 20 CBGD COCC(=O)NNC(=O)Nc1ccc2c(c1)oc(=O)n2C 756364844 VVUYILXNFIVVLY-UHFFFAOYSA-N 294.267 -0.069 50 20 CBGD COCCn1nc(C)c(NC(=O)NNC(=O)CO)c1C 757872219 WRHUKRCTZGJMNX-UHFFFAOYSA-N 285.304 -0.709 50 20 CBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccccn1 763823141 ARTZMYRIKJKPKW-UHFFFAOYSA-N 299.290 -0.332 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)c(O)n1 764341165 FRIBPCBWEBLOLI-UHFFFAOYSA-N 292.295 -0.018 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cccc2nn[nH]c12 768245785 YFJHHXYSYHPGLR-UHFFFAOYSA-N 263.257 -0.510 50 20 CBGD COc1ncc(C(=O)NNC(=O)C(C)(C)O)cn1 768256658 WELHSDCUYMQWEW-UHFFFAOYSA-N 254.246 -0.983 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cnn3cccnc23)n[nH]1 768276896 QYSWHLWRIKUDSV-UHFFFAOYSA-N 285.267 -0.164 50 20 CBGD COC(=O)c1c(F)cccc1NNC(=O)Cn1cnnn1 773637909 HYWZLSGLCFEPAJ-UHFFFAOYSA-N 294.246 -0.258 50 20 CBGD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NNC(=O)C1CCCC1 779500957 ZSQVHIJXGCGWRK-KCJUWKMLSA-N 297.355 -0.400 50 20 CBGD C[C@@H](OC(=O)/C(C#N)=C\C1CC1)C(=O)NC(N)=O 786678923 IOYOLDFGCAYQSQ-LBOWODLNSA-N 251.242 -0.027 50 20 CBGD NC(=O)C(=O)NN=C1CCOC[C@@H]1CN1CCCCC1 787147764 MSZYFFFBQGKXSI-JTQLQIEISA-N 282.344 -0.534 50 20 CBGD C=C[C@H](NNC(=O)CNC(=O)c1ccco1)C(=O)OC 799977966 RQEUMAOEFHHMHB-QMMMGPOBSA-N 281.268 -0.642 50 20 CBGD CN(C)CC(=O)NNC(=O)c1c(F)ccc(O)c1F 809661685 MLHDNBGYKWRWOA-UHFFFAOYSA-N 273.239 -0.007 50 20 CBGD CNc1nc(C)cc(C(=O)NN(C)[C@@H](C)CO)n1 823928275 LYLCWQSODGHIAU-QMMMGPOBSA-N 253.306 -0.216 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1C(=O)NCC[C@H]1C 826710001 DCSAURBFFUFTLE-UTINFBMNSA-N 298.343 -0.734 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCCCC(=O)O 831052143 MONPNVTUIMPLRY-MRVPVSSYSA-N 291.304 -0.767 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@]2(CCNC2)C1 843367756 JZIZCSRUMFKJID-MFKMUULPSA-N 268.361 -0.382 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](COC)OC 850200385 AULNHPHIQFRTCL-YUMQZZPRSA-N 276.289 -0.863 50 20 CBGD CC(C)C(=O)NNC(=O)Cc1nnn(C(C)(C)C)n1 854214294 VWBOZGDORGFLPH-UHFFFAOYSA-N 268.321 -0.226 50 20 CBGD CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)c1cn[nH]c1 858170415 JZNFLETVEQVMIJ-SFYZADRCSA-N 296.331 -0.343 50 20 CBGD CC1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 858267316 HQOZWYDNFUKQSF-ZETCQYMHSA-N 254.290 -0.605 50 20 CBGD CON(C)C(=O)[C@H](C)NC(=O)NNC(=O)C1CCCC1 858393295 PZABATGYPBRBSK-QMMMGPOBSA-N 286.332 -0.085 50 20 CBGD CN(CCOCCN)S(=O)(=O)CBr 858633621 YTSCSYWRJVSUME-UHFFFAOYSA-N 275.168 -0.424 50 20 CBGD CS(=O)(=O)CC(=O)NN=Cc1cc(CO)ccc1O 863185937 IFVQJUBZYDSJJJ-UHFFFAOYSA-N 286.309 -0.621 50 20 CBGD CCC[C@@H](OCC)C(=O)NNC(=O)CS(C)(=O)=O 863466867 DOYOSWYMULCEPL-MRVPVSSYSA-N 280.346 -0.616 50 20 CBGD COC(=O)C[C@H]1CCCN1C(=O)c1cccc(B(O)O)c1 863875860 HAQYTLVYOGUOBG-GFCCVEGCSA-N 291.112 -0.466 50 20 CBGD COC(=O)[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@H]1C 863877161 UPQAEMHUNIENGH-BXKDBHETSA-N 291.112 -0.753 50 20 CBGD C=CCNC(=S)NNC(=O)/C=C/CN1CCOCC1 864455276 LNXNCYJSVNQSLE-ONEGZZNKSA-N 284.385 -0.444 50 20 CBGD O=C(/C=C/CN1CCOCC1)NNc1ncncc1F 868539804 CVZANOXUPFIAMX-OWOJBTEDSA-N 281.291 -0.053 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@H]2CO[C@H](C)C2)n[nH]1 869016413 KSFVGKDSONFKQU-RKDXNWHRSA-N 266.301 -0.167 50 20 CBGD CCO[C@H](CC)C(=O)NNC(=O)COCCOC 869909045 GWFXEAYORXQQCQ-SECBINFHSA-N 262.306 -0.388 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@@]12CCOC2)c1cccnn1 882057181 PWCJEMDSECTEGI-QPUJVOFHSA-N 262.269 -0.336 50 20 CBGD C#CCCCC(=O)NNC(=O)CCN1CCN(CC)CC1 887144084 AUFVJHIMFLFJFZ-UHFFFAOYSA-N 294.399 -0.035 50 20 CBGD COC(=O)CC(=O)NNC(=O)COc1ccc(F)cc1 905129449 GEBAICONANKSAA-UHFFFAOYSA-N 284.243 -0.085 50 20 CBGD CNC(=S)N(C)NC(=O)c1c2c(nn1C)CCC2 909993457 NRDJHCBJADUBLL-UHFFFAOYSA-N 267.358 -0.010 50 20 CBGD C[C@H](O)CN(C)NC(=O)CN(C)[C@H]1CCSC1 910160496 JACSAXSGTCKVOX-UWVGGRQHSA-N 261.391 -0.233 50 20 CBGD C[C@H](CC(=O)NNC(=O)CN1CCCC1=O)n1ccnc1 913733279 CRGNDDXBYYXMIK-SNVBAGLBSA-N 293.327 -0.396 50 20 CBGD COCCN1C[C@H](C(=O)NNC(=O)C2CCCC2)CC1=O 914844153 NARGECADFRYQMU-LLVKDONJSA-N 297.355 -0.181 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1cccc2c1COC2=O 920832472 UAOCEQUESKHFQJ-UHFFFAOYSA-N 299.308 -0.131 50 20 CBGD N#CSCCCNC(=O)C[C@@H]1CC(=O)NC1=O 935842903 DZOKUDYIVOJWIW-SSDOTTSWSA-N 255.299 -0.240 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ncc[nH]1 1118278997 CLFSFEKVZHIWMH-BDAKNGLRSA-N 266.301 -0.085 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCCC[C@@H]1CO 1118917737 NXUSKGRBLWWQMN-GFCCVEGCSA-N 263.102 -0.647 50 20 CBGD C[C@H]1CCOCCN1C(=O)NNC(=O)c1ncccn1 1122033351 SXTLASHCFSWMFU-VIFPVBQESA-N 279.300 -0.058 50 20 CBGD COc1ccnc(NNC(=O)CN2C(=O)CCC2=O)n1 1123611099 RUAVVWJQNHLFGY-UHFFFAOYSA-N 279.256 -0.923 50 20 CBGD CC(=O)N[C@@H](CC(=O)NNc1ccnc(F)c1)C(N)=O 1254403276 HEIRUZXBGBYXJX-QMMMGPOBSA-N 283.263 -0.956 50 20 CBGD CN(C)C(=O)NNC(=O)c1c[nH]nc1-c1cnn(C)c1 1320629172 SZSIKMPCDIZVFP-UHFFFAOYSA-N 277.288 -0.274 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)C[C@@H]1CCOC1 1323830433 RYJSYRDAZJRLPD-QMMMGPOBSA-N 252.274 -0.474 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H]1CCCCS1(=O)=O 1324101688 CGGBSVWICPUNCH-MRVPVSSYSA-N 293.414 -0.143 50 20 CBGD Cn1cnnc1COCC(=O)NNC(=O)OC(C)(C)C 1326227873 QFGMJSDFVPCAFV-UHFFFAOYSA-N 285.304 -0.112 50 20 CBGD CC(=O)NNC(=O)CC1CCN(S(C)(=O)=O)CC1 1329036342 LBASRDCSLPLGKD-UHFFFAOYSA-N 277.346 -0.785 50 20 CBGD CCn1cc(NC(=S)NNC(=O)[C@@H]2CCC(=O)N2)cn1 1329196380 PRRBVWPAXAMFNV-QMMMGPOBSA-N 296.356 -0.501 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1CCCNC1=O 1329232781 XJLJASQTNYBUHN-SSDOTTSWSA-N 258.347 -0.584 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@](O)(CC#N)C1 1329274001 VPUZTFOKAGULPZ-SKDRFNHKSA-N 268.317 -0.717 50 20 CBGD CON1CCC(NC(=O)NNC(=O)c2cn[nH]c2)CC1 1330440870 MFTBHJGZIUPDTC-UHFFFAOYSA-N 282.304 -0.621 50 20 CBGD C/C=C(/C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1331310308 UOKFFQBZSKTDHY-PFPYCLJUSA-N 260.315 -0.465 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cc(C)cc(CN)c1 1345594998 JSGBPYSCLBYMKG-UHFFFAOYSA-N 264.285 -0.440 50 20 CBGD C[C@@H](C(=O)NNC(=O)NC1CCNCC1)[C@H]1CCCO1 1575069700 PRYFPLPRKFLLCP-MWLCHTKSSA-N 284.360 -0.116 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H]1NCc2n[nH]cc21 1575721968 DAKVYKQFBUTWRH-QMMMGPOBSA-N 268.346 -0.542 50 20 CBGD Cc1ccc(F)c(N)c1C(=O)NNC(=O)[C@H]1CCN1 1579706991 YPJWCAKJQCLHKU-MRVPVSSYSA-N 266.276 -0.161 50 20 CBGD CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)Cc1cc[nH]n1 1588808277 VHTFCAJBPDGVPU-SECBINFHSA-N 268.273 -0.544 50 20 CBGD CC1CCN(C[C@@H](C)NC(=O)NNC(=O)C(=O)O)CC1 1594417419 WKEAPNJBYWSRSO-SECBINFHSA-N 286.332 -0.478 50 20 CBGD O=C(O)[C@@H]1CC[C@H](NCc2ccccc2B(O)O)C1 1595177292 FOMJWNDQFOCHOE-KOLCDFICSA-N 263.102 -0.291 50 20 CBGD COC(=O)N(C)NS(=O)(=O)c1csnc1C(=O)O 1598875684 JKUJYFVSEZEVQR-UHFFFAOYSA-N 295.298 -0.267 50 20 CBGD O=C(NNC(=O)[C@H](C(=O)O)C1CC1)c1cnsn1 1605814787 TXIDDNXDJJMXNN-ZCFIWIBFSA-N 270.270 -0.590 50 20 CBGD COC(C)(C)C[C@@H](C)NC(=O)NNC(=O)C(=O)O 1606657560 ZEEONHISOYJWQO-ZCFIWIBFSA-N 261.278 -0.395 50 20 CBGD O=C(NC[C@H]1CCOC2(CCC2)C1)NNC(=O)C(=O)O 1608439009 OCOCUJPBVFSLOW-QMMMGPOBSA-N 285.300 -0.249 50 20 CBGD O=C(O)C1=NO[C@H](C(=O)NNC(=O)C2CCC2)C1 1611362192 PIGYLLRWULVQSJ-ZETCQYMHSA-N 255.230 -0.837 50 20 CBGD CCNC(=O)NNC(=O)Cc1c(C)nc(C)[nH]c1=O 49164750 KDJZXBSYFLINNH-UHFFFAOYSA-N 267.289 -0.720 50 20 CBGD Cn1nnc2cc(C(=O)NNC(=O)[C@@H]3CCCO3)ccc21 104257112 NBCPALQIODEYMV-NSHDSACASA-N 289.295 -0.092 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1 126434960 BAHSMAVVPDYGDF-UHFFFAOYSA-N 278.312 -0.357 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)[C@@H](CO)C(C)(C)C 134375637 LTMWWHFMLLCZKY-JTQLQIEISA-N 271.361 -0.117 50 20 CBGD CCN(CC(=O)NNC(=O)NCCCOC)C1CC1 151748122 OEJNJPNFTVXHCN-UHFFFAOYSA-N 272.349 -0.162 50 20 CBGD O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1CC(=O)N(C2CC2)C1 177607002 GLJYDHVPLIVDGO-MRVPVSSYSA-N 291.311 -0.278 50 20 CBGD COC[C@@H](CO)NS(=O)(=O)CBr 234877927 NGZRERNJSQKOOS-RXMQYKEDSA-N 262.125 -0.735 50 20 CBGD COCCOc1cc(C(=O)NNC(C)=O)ccn1 272216754 JRQYWIFROHKHLT-UHFFFAOYSA-N 253.258 -0.112 50 20 CBGD COCCn1ccc(C(=O)NN(C)C(=O)OC)n1 286536833 YLIJRDPCUHRUMT-UHFFFAOYSA-N 256.262 -0.128 50 20 CBGD CCCc1nnc(SCC(=O)NN(C)C(N)=O)n1N 291666592 LLJQOQXYNGYJRR-UHFFFAOYSA-N 287.349 -0.922 50 20 CBGD C/C=C/C=C\C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 490552849 VXFIBKNTTSJSNI-DUVSRYBSSA-N 272.326 -0.299 50 20 CBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)OC)cc1 490555924 LERNONHDILPSNT-UHFFFAOYSA-N 287.297 -0.405 50 20 CBGD O=S1(=O)CCC[C@H](COc2ccc(B(O)O)cc2)C1 584910170 NJXJEZQZXOWXTE-SNVBAGLBSA-N 284.142 -0.430 50 20 CBGD C[S@](=O)CCCNC(=O)c1cc(B(O)O)ccc1F 584941535 KEQPSCJEJQGQSY-IBGZPJMESA-N 287.121 -0.996 50 20 CBGD O=C(NC[C@@H]1CCC[C@@H](O)C1)c1ccc(B(O)O)c(F)c1 584951459 QNQYMDNMYKANGJ-MWLCHTKSSA-N 295.119 -0.214 50 20 CBGD C[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)[C@H]1CO 584979620 ZPWGSDRAAAAAEO-PELKAZGASA-N 281.092 -0.652 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@](O)(C2CC2)C1 584982583 IPGYBZLEFLSZAP-AWEZNQCLSA-N 275.113 -0.647 50 20 CBGD Cc1noc(C2CN(C(=O)c3ccc(B(O)O)cc3)C2)n1 584983425 QPUMQQDBYCOYLL-UHFFFAOYSA-N 287.084 -0.703 50 20 CBGD O=C(N[C@@H]1CC12CCOCC2)c1cccc(B(O)O)c1 584997393 FSHWBUJRRKFKIM-GFCCVEGCSA-N 275.113 -0.335 50 20 CBGD O=C(NC[C@@H](CO)CC1CC1)c1ccc(B(O)O)cc1 585005362 GIGRWNTWCPSDTM-NSHDSACASA-N 277.129 -0.495 50 20 CBGD OCC1CC(NCc2ccc(B(O)O)cc2F)C1 585050099 QRRHIBVCHAGTSC-UHFFFAOYSA-N 253.082 -0.634 50 20 CBGD CC(C)CNC(=O)N1CCC[C@H](CC(=O)NCB(O)O)C1 585060826 ZPKUTUFRBULSIL-LLVKDONJSA-N 299.180 -0.418 50 20 CBGD CC1=C(C(=O)NNC(=O)N(C)C)C(=O)OC1(C)C 727647102 QUDNESAYAZXDAH-UHFFFAOYSA-N 255.274 -0.059 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCCNC(=O)O 738828248 VHCIDHVVHFPJOG-UHFFFAOYSA-N 269.261 -0.473 50 20 CBGD COC(=O)c1ccc(C=NNC(=O)C(=O)N2CCCC2)[nH]1 747630122 IRNGMWNVBVDUOI-UHFFFAOYSA-N 292.295 -0.126 50 20 CBGD CC(=O)NNC(=O)Cn1nc(-c2ccccc2)oc1=O 750988041 HGYOWZKSPSDONO-UHFFFAOYSA-N 276.252 -0.329 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)C1(O)CCCCC1 755277570 SRRSXQYPKCWWJJ-UHFFFAOYSA-N 266.301 -0.205 50 20 CBGD Cn1[nH]cnc1=NC(=O)NNC(=O)c1cccc(C#N)c1 757759983 DVUOZYLTQJOYGN-UHFFFAOYSA-N 285.267 -0.425 50 20 CBGD C#CCCCC(=O)NNS(=O)(=O)c1cn[nH]c1 760836508 CXSMFAMUSSIFNX-UHFFFAOYSA-N 256.287 -0.477 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(F)cc1F 764429545 SYYSNNCPKVIUNN-UHFFFAOYSA-N 273.195 -0.957 50 20 CBGD CNC(=O)Cn1nc(NC(=O)NNC(=O)OC)cc1C 767971072 PPQAVZXYRBCPIJ-UHFFFAOYSA-N 284.276 -0.670 50 20 CBGD Cn1ncc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)n1 785682987 XXGUMTDWMKRJSS-UHFFFAOYSA-N 289.251 -0.381 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCC(=O)N1C 786176839 XOGXJPKQMNUNPE-JGVFFNPUSA-N 285.300 -0.904 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)NCC(F)(F)F 798314474 NACZVCHWXIIQAP-YFKPBYRVSA-N 282.222 -0.500 50 20 CBGD CC#CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 801105052 LKEAZUSMZYAPHF-UHFFFAOYSA-N 270.252 -0.553 50 20 CBGD CCN(CCO)NC(=O)c1cn(C)nc1-c1cnn(C)c1 823878969 BYIWGKRFLWXULZ-UHFFFAOYSA-N 292.343 -0.220 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccnc(-n2cncn2)c1 823964914 GABJUSVFWLPKPY-SECBINFHSA-N 276.300 -0.380 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CCNC(=O)C(C)(C)C 823977046 NBEZCFCGMGIFNU-VIFPVBQESA-N 259.350 -0.117 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](C(=O)OC)C1 828696762 STQWGJFQVIPODM-OPRDCNLKSA-N 285.344 -0.327 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843974148 BQCCZINTYPNCQW-GARJFASQSA-N 285.344 -0.721 50 20 CBGD COCCN(C)NC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 848378104 IDOZQFXWVHBGAZ-ZJUUUORDSA-N 257.334 -0.113 50 20 CBGD CC1=NO[C@@H](C(=O)NNC(=O)N2CCN(C)CC2)C1 854382962 QIWZXMJZRFOVQJ-SECBINFHSA-N 269.305 -0.861 50 20 CBGD COc1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 860443981 NNXWWMAZAREHPI-QMMMGPOBSA-N 293.283 -0.479 50 20 CBGD C=CC(=O)N(C)CC(=O)NNC(=S)N[C@@H](C)C1CC1 862150006 CTXCANWTHPPJRX-QMMMGPOBSA-N 284.385 -0.075 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CCCSC2)N1 862462462 QLKAZTXVLJAZRT-JGVFFNPUSA-N 271.342 -0.444 50 20 CBGD CCN(CC(=O)NNC(=O)C1CC1)[C@H]1CCNC1 886848679 KUOGSDCNFQKURK-JTQLQIEISA-N 254.334 -0.772 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CCCC(=O)N1C 905101135 WQZSLLUZYQQULB-MRVPVSSYSA-N 270.358 -0.321 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 910169880 GXYQKDAMFITFMW-JGVFFNPUSA-N 297.277 -0.259 50 20 CBGD CN1CCN(C(=O)CNS(=O)(=O)CCCCl)CC1 920527193 MJZLLPXSDFQFKN-UHFFFAOYSA-N 297.808 -0.691 50 20 CBGD O=C(CCO)NNC(=O)Nc1cccnc1-n1cncn1 1116610879 KPWKIUUMYIHBHK-UHFFFAOYSA-N 291.271 -0.803 50 20 CBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cc(C(C)C)on1 1116711848 DYRBVMJYTHHEET-UHFFFAOYSA-N 298.255 -0.943 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)o1 1118885402 ZUAQHFRBFPTNTL-ZCFIWIBFSA-N 295.251 -0.894 50 20 CBGD CN1CCCC[C@H]1CNC(=O)c1cccc(B(O)O)c1 1262652892 SXCXDIDTBCOZDH-ZDUSSCGKSA-N 276.145 -0.420 50 20 CBGD CC(C)C(=O)NNC(=O)[C@H]1CCCN(C(N)=O)C1 1317708173 APNUXAPSPFEOGW-QMMMGPOBSA-N 256.306 -0.420 50 20 CBGD CCO/C=C(/C#N)C(=O)NC1CCN(CC(=O)NC)CC1 1319357614 FBFRBFGHCIVUPD-KHPPLWFESA-N 294.355 -0.243 50 20 CBGD COCC(=O)NCCC(=O)NN=c1cc[nH]cc1Cl 1321227356 NWSIGOAWVNQSML-UHFFFAOYSA-N 286.719 -0.247 50 20 CBGD O=C(NNC(=O)c1ccnc(Cl)c1)C(=O)NC1CC1 1322110284 MWPBVBABWZCCTK-UHFFFAOYSA-N 282.687 -0.225 50 20 CBGD CN(C)N(C(=O)c1ccc(O)nc1)[C@H]1CCS(=O)(=O)C1 1324142242 CDZRYNMOHZTBIV-JTQLQIEISA-N 299.352 -0.107 50 20 CBGD Cn1ccnc(NNC(=O)c2ncn(C(C)(C)C)n2)c1=O 1324690069 HRELBVKYCZRMKJ-UHFFFAOYSA-N 291.315 -0.116 50 20 CBGD C[C@H]1CC(=NNC(=O)[C@@H]2CCC(=O)N2)c2ncnn21 1331723894 ZWOLVZLLEVVGGJ-BQBZGAKWSA-N 262.273 -0.658 50 20 CBGD COCCO[C@H](C)C(=O)NN=Cc1cnc2n1CCOC2 1332514956 JYQXXKZNNRRJCJ-SNVBAGLBSA-N 296.327 -0.085 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1coc(C2CC2)n1 1335369312 XLCNFQAWZUNUQV-UHFFFAOYSA-N 287.297 -0.642 50 20 CBGD CC(C)CC(=O)NNC(=O)C(=O)Nc1cnns1 1343689375 YUCURDWSOQLODO-UHFFFAOYSA-N 271.302 -0.330 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)NCCc2nc[nH]n2)cn1 1349811739 MRZOHRZADNTJNH-WMZJFQQLSA-N 271.284 -0.196 50 20 CBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)CN2CCCC2=O)CCC1=O 1354111923 VHBUCIMPQNKRIF-ZJUUUORDSA-N 295.339 -0.239 50 20 CBGD CS(=O)(=O)CC1(C(=O)NCC(Cl)Cl)COC1 1528418123 PPTKUTYEUGXRKG-UHFFFAOYSA-N 290.168 -0.033 50 20 CBGD CCN1CC[C@H]1C(=O)NNC(=O)[C@@H]1CCCNC1 1577768279 XBPWHNWRIYBTSB-ZJUUUORDSA-N 254.334 -0.772 50 20 CBGD COCCCNC(=S)N(C)NC(=O)CC(F)(F)CN 1579016394 GTBNDMVIVQBAQB-UHFFFAOYSA-N 298.359 -0.156 50 20 CBGD Cn1nc(N)cc1C(=O)NNC(=O)OCC(F)(F)F 1579996530 HFMBFGPNBYAULR-UHFFFAOYSA-N 281.194 -0.064 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CC1)[C@H]1C[C@H]2CC[C@H]1O2 1594779804 WXQKPOSTHWDOMW-GJMOJQLCSA-N 268.269 -0.434 50 20 CBGD O=C(O)c1ccc(C(=O)NNC(=O)c2cnsn2)nc1 1595220873 MIMFULJMMRESQA-UHFFFAOYSA-N 293.264 -0.294 50 20 CBGD C[C@@H](C(=O)O)C(=O)NNc1ncnc2[nH]cnc12 1609701264 XGZIHSZHYGUKPT-SCSAIBSYSA-N 250.218 -0.483 50 20 CBGD COCCOCC(=O)NN=Cc1cc(C(=O)O)cn1C 1776097776 BGWCGTUEEUKFDJ-UHFFFAOYSA-N 283.284 -0.164 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc(-n2cccn2)ccn1 126605390 VZVRQDGFWLVKSE-UHFFFAOYSA-N 288.311 -0.410 50 20 CBGD O=C(CN1CCOCC12CCC2)NNC(=O)C1CC1 135535028 AAZDRKFQRVQVHO-UHFFFAOYSA-N 267.329 -0.201 50 20 CBGD CCn1nc(C(=O)NNC(=O)c2cc(C)n[nH]2)ccc1=O 151166038 ZBTOQHMEDBPRLM-UHFFFAOYSA-N 290.283 -0.630 50 20 CBGD CO[C@@](C)(C(=O)NNC(=O)CO)c1ccccc1F 192378518 IKBULXHOKGVOMJ-GFCCVEGCSA-N 270.260 -0.173 50 20 CBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ccccn1 263851358 NRRNFMRFCBCNJE-JGVFFNPUSA-N 263.253 -0.348 50 20 CBGD CSC[C@H](C)NC(=O)NNC(=O)C(=O)NC1CC1 265563305 MLTCXQIQGRVTLP-LURJTMIESA-N 274.346 -0.653 50 20 CBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNC(=O)c2ccccc2)O1 276607110 MICGYTOLDUWVJF-VHSXEESVSA-N 277.280 -0.520 50 20 CBGD CCN1CCN(CC(=O)NCC(Cl)Cl)C(=O)C1=O 294394794 MZZSJIUOPWGKEH-UHFFFAOYSA-N 296.154 -0.403 50 20 CBGD CN(NC(=O)[C@@H]1COCCN1CC(F)(F)F)C(N)=O 367389960 YJLLUOFPTKTIST-LURJTMIESA-N 284.238 -0.709 50 20 CBGD C#CCN(C)CCCNC(=O)NNC(=O)C(C)C 491689940 KZRBRQFZIBALKG-UHFFFAOYSA-N 254.334 -0.072 50 20 CBGD CC(C)C(=O)N(C)CC(=O)Nc1cccc(B(O)O)c1 584910609 CSUODPVENVSEKL-UHFFFAOYSA-N 278.117 -0.581 50 20 CBGD O=C(C[C@@H]1CCCCC(=O)N1)Nc1cccc(B(O)O)c1 584912427 FKYAGUVHXDROTK-LBPRGKRZSA-N 290.128 -0.246 50 20 CBGD CN1CCC(CNC(=O)c2cc(B(O)O)ccc2F)CC1 584938112 INPLUPLARYPZPX-UHFFFAOYSA-N 294.135 -0.423 50 20 CBGD C[C@H](CO[C@@H]1CCOC1)NC(=O)c1cccc(B(O)O)c1 584958009 NTIGIDNRYPVOOO-ZWNOBZJWSA-N 293.128 -0.710 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCOCC12CCC2 584964641 IYJGSNOCGFXJPU-UHFFFAOYSA-N 293.103 -0.099 50 20 CBGD CN1CCN(C(=O)c2ccc(B(O)O)cc2)C(C)(C)C1 584968312 AHSJBIPUYLGRTQ-UHFFFAOYSA-N 276.145 -0.467 50 20 CBGD C[C@H](O)C[C@@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584974542 VZYIHJUUXVMIRG-SFYZADRCSA-N 269.081 -0.605 50 20 CBGD O=C(N[C@@H](CO)CC(F)F)c1ccc(B(O)O)c(F)c1 584983775 TTZGVRQYUSSMDY-SSDOTTSWSA-N 291.034 -0.749 50 20 CBGD C[C@H]1C[C@H](NC(=O)c2cc(B(O)O)ccc2F)CO1 585004110 XZXOESWPTRKXEB-CBAPKCEASA-N 267.065 -0.587 50 20 CBGD CCn1ncnc1CNCc1ccc(B(O)O)cc1F 585038761 FYAYNMDAVGMVIE-UHFFFAOYSA-N 278.096 -0.593 50 20 CBGD COCc1nc(C)cc(N2CC[C@@H](B(O)O)C2)n1 585073149 JKEXJXIVLDRHHP-SECBINFHSA-N 251.095 -0.015 50 20 CBGD CCNC(=O)NNC(=O)C1(C(=O)NC2CC2)CCC1 729343196 LLGIDWTYJIRWQY-UHFFFAOYSA-N 268.317 -0.214 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCn1cccn1 732083412 TVBQFMVNCADTGQ-UHFFFAOYSA-N 262.273 -0.234 50 20 CBGD O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NNC(=O)C1CCC1 732245709 FKWOVDCYBPYDKD-NWDGAFQWSA-N 296.371 -0.020 50 20 CBGD COC(=O)[C@@H](C)CN(C)CC(=O)NNC(=O)C1CC1 733868793 ALFLYDMZEUSGMM-QMMMGPOBSA-N 271.317 -0.715 50 20 CBGD CC(C)C[C@@H](NC(=O)O)C(=O)NNC(=O)c1cnn[nH]1 736415368 JJBGLIHLNACTEB-ZCFIWIBFSA-N 284.276 -0.752 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccccc1-n1cnnn1 746005876 AERNZWFCKOTENR-UHFFFAOYSA-N 275.272 -0.422 50 20 CBGD O=C(NNC(=O)C1=CCCCO1)C(=O)NC1CC1 746103292 KIQSCZRGEXTQBD-UHFFFAOYSA-N 253.258 -0.893 50 20 CBGD CN(C)C(=O)CCCC(=O)NNC(=O)NCC1CC1 746166929 LKXRUROMMYCBCF-UHFFFAOYSA-N 270.333 -0.015 50 20 CBGD O=C(CN1CCC[C@H](CO)C1)NNC(=O)C1CC1 748809953 NBUVOQKBKKJXOO-VIFPVBQESA-N 255.318 -0.752 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccccc1C#N 755699997 UTUAGDVXEJJTRB-VIFPVBQESA-N 294.336 -0.054 50 20 CBGD CC(=O)NCC(=O)NNc1ncccc1[N+](=O)[O-] 759285481 IHBSILRJVQXOIT-UHFFFAOYSA-N 253.218 -0.431 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 759749087 NRCFKUQEZVSNAN-HTQZYQBOSA-N 286.332 -0.604 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1F 764302762 HOVUJURYTADWGN-UHFFFAOYSA-N 287.222 -0.303 50 20 CBGD Cc1cc(C)cc(NC(=O)C(=O)NNC(=O)CO)c1 764421123 GCLBZLOCDYFEPJ-UHFFFAOYSA-N 265.269 -0.618 50 20 CBGD Cc1cc(F)c2c(c1)C(=NNC(=O)CO)C(=O)N2 776784018 WKHMDEMJERWOOP-UHFFFAOYSA-N 251.217 -0.101 50 20 CBGD CC(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1C 789837015 VACNIWDZHZRCTB-UHFFFAOYSA-N 271.298 -0.577 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCOC1 790063460 KBFHMIRQXYGTEF-VIFPVBQESA-N 274.317 -0.041 50 20 CBGD Cc1cnn(C)c1C=NNC(=O)C(=O)N1CCCC1 794900050 TZDDSRDZGFMKDA-UHFFFAOYSA-N 263.301 -0.199 50 20 CBGD C[C@H]1COC(=O)C1=NNC(=O)C(=O)Nc1ccccn1 794918415 HPFIPJWHOPNPNY-ZETCQYMHSA-N 276.252 -0.315 50 20 CBGD CSCCNC(=S)NNC(=O)c1cncn1C 813504977 JLVNRTHGDJORPD-UHFFFAOYSA-N 273.387 -0.108 50 20 CBGD C=C(C)C(C)(C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 819876036 KHSNPBMMIMSEJW-QMMMGPOBSA-N 291.373 -0.326 50 20 CBGD CN1C(=O)CS/C1=C\C(=O)NNC(=O)c1cnn(C)c1 820082276 BWLCBNKRQIBAEU-KMKOMSMNSA-N 295.324 -0.772 50 20 CBGD CN(C)CC1(C(=O)NNC(=O)N2CCN(C)CC2)CC1 822764926 RXEPRPIQQCCXSG-UHFFFAOYSA-N 283.376 -0.684 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCN2C=O)o1 829831176 JHCINYGINMIKDE-VIFPVBQESA-N 265.269 -0.030 50 20 CBGD CCS(=O)(=O)CC(=O)NNc1ccc(C(=O)O)cn1 833665284 PUUBHNZLOOBNNY-UHFFFAOYSA-N 287.297 -0.342 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ncn1 843662804 SUQBNNABJFBNPH-BDAKNGLRSA-N 264.285 -0.029 50 20 CBGD Cc1c[nH]nc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843971471 QPBHSSMHUWCZDU-YUMQZZPRSA-N 252.274 -0.096 50 20 CBGD Cn1ncc(C(=O)O)c1C=NNC(=O)N1CCOCC1 848403968 GTYRDKQHQHMGQY-UHFFFAOYSA-N 281.272 -0.506 50 20 CBGD COC(=O)NCCNC(=O)NNC(=O)c1cccc(F)n1 852374155 JYOJOMLBHFSIFM-UHFFFAOYSA-N 299.262 -0.479 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 858104512 NGUCBSGPJDCFRI-XPUUQOCRSA-N 254.290 -0.606 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCC2(C3CC3)CC2)N1 858313468 KNYNDIKDLJWEKX-SECBINFHSA-N 280.328 -0.214 50 20 CBGD CO[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858346714 QTWGTMYSCFNTQB-IVZWLZJFSA-N 298.343 -0.590 50 20 CBGD COC1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCCC1 858495267 ZFWBJWHMBHEJIR-VIFPVBQESA-N 298.343 -0.445 50 20 CBGD COC(=O)C[C@@H](O)CNS(=O)(=O)CCCCCl 859344351 VIGWUJPMKDAWFM-MRVPVSSYSA-N 287.765 -0.151 50 20 CBGD O=C(NC[C@@H]1COCCN1)NNC(=O)c1ccccc1 861679581 ALWDGGMENTVYPX-LLVKDONJSA-N 278.312 -0.381 50 20 CBGD C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862455487 ORYSGFKRIOPAQO-OPRDCNLKSA-N 282.344 -0.715 50 20 CBGD Cc1cc(C(=O)NNC(=O)CS(C)(=O)=O)oc1C 863464850 VEXBZTJALHVSOX-UHFFFAOYSA-N 274.298 -0.298 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C1CSC1 866026652 HTLUAKALGCYVSI-UHFFFAOYSA-N 273.358 -0.198 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H](C)[C@H](C)COC 869904421 YDWOZTOOGZRARH-ZJUUUORDSA-N 276.333 -0.285 50 20 CBGD C[C@H](CC(N)=O)C(=O)NNC(=S)NC(C)(C)C 899997384 RAOMWXJBPZPQMJ-ZCFIWIBFSA-N 260.363 -0.208 50 20 CBGD CN1C(=O)CCC[C@@H]1C(=O)NNC(=O)NCC(F)(F)F 907967418 NHHOZYBZTPBOPO-ZCFIWIBFSA-N 296.249 -0.110 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1COC[C@@H]1C 926008734 BSJBQEMFLAFXFR-AEJSXWLSSA-N 289.332 -0.597 50 20 CBGD COC[C@H]1COCCN1CC(=O)NNC(=O)C(C)(C)C 933331541 OQYYLFOLDQZLFV-JTQLQIEISA-N 287.360 -0.473 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H](c1ccco1)N(C)C 1116181833 JMSBTZXBIQHUDT-QMMMGPOBSA-N 298.299 -0.614 50 20 CBGD CC(C)[C@@H](C#N)C=NNC(=O)[C@@H](C)NS(C)(=O)=O 1116348060 KXTVGLGVVRTVFS-BDAKNGLRSA-N 274.346 -0.178 50 20 CBGD Cc1nn(C)c(-n2cccn2)c1C(=O)NN(C)C(N)=O 1116674711 FWEFBSAYKQTQFT-UHFFFAOYSA-N 277.288 -0.430 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2ccccn2)N1 1118863900 GEBPVOIJZHWKDU-SECBINFHSA-N 277.284 -0.809 50 20 CBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CC=CC1 1318785233 VBEUHFKDOKSWIU-VIFPVBQESA-N 272.326 -0.465 50 20 CBGD Cc1ncccc1NC(=O)C(=O)NNC(=O)C1CC1 1320234335 BFQUHFDZSSHJCY-UHFFFAOYSA-N 262.269 -0.114 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCCCOC(C)C 1320292591 SCBFTXWVWLMDEE-UHFFFAOYSA-N 275.305 -0.305 50 20 CBGD COC(=O)C(=O)NN=C1CCCc2nn(C)cc21 1321234947 DVOTYMQDAKNURK-UHFFFAOYSA-N 250.258 -0.250 50 20 CBGD CC(=O)N1CCC[C@@H](C(=O)NNc2nnc(C)c(O)n2)C1 1321494354 SLNMUXZEGQCGAA-SECBINFHSA-N 294.315 -0.413 50 20 CBGD CS(=O)(=O)CCCC(=O)NNC(=O)c1cccnc1 1321636405 HIBPYHPXXGGIFJ-UHFFFAOYSA-N 285.325 -0.333 50 20 CBGD CC(C)C(=O)NNC(=O)[C@H]1CCc2nnn(C)c2C1 1323865324 HVXUIEQHTSHYIE-QMMMGPOBSA-N 265.317 -0.277 50 20 CBGD N#CCC1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 1331531164 GYRKSVJCQPFWSH-SNVBAGLBSA-N 293.327 -0.369 50 20 CBGD CN(C)CCCNC(=O)NNC(=O)c1cn[nH]c1 1334889667 MDKXOSMWZFKVSZ-UHFFFAOYSA-N 254.294 -0.695 50 20 CBGD CC(=O)N[C@@H](CC(=O)NNc1ccccc1)C(N)=O 1334934628 BHFBTUQWGVETPF-JTQLQIEISA-N 264.285 -0.490 50 20 CBGD CC(C)(C)n1nccc1NC(=O)C(=O)NNC(=O)CCO 1342607350 MLKWCAGPRBDBCL-UHFFFAOYSA-N 297.315 -0.894 50 20 CBGD COc1cc(C)nc(NNC(=O)c2cc(C(=O)O)n[nH]2)n1 1574181899 LRRHWEORNYVWRX-UHFFFAOYSA-N 292.255 -0.028 50 20 CBGD C[C@H](CN)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C 1575975578 CTSHHLYUQMWTCL-SECBINFHSA-N 286.376 -0.329 50 20 CBGD CC(C)C(=O)NNC(=O)CN[C@H](C(=O)O)C(C)(C)C 1590938643 JDSQPVHCNDANBV-SECBINFHSA-N 273.333 -0.121 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CC[C@H]2C(=O)O)n[nH]1 1594281211 ZZUKQBIYHNPMQX-RNFRBKRXSA-N 266.257 -0.410 50 20 CBGD Cn1cnc(C(=O)NNc2ncccc2C(=O)O)cc1=O 1594556446 GYUIFOOSUNFPBI-UHFFFAOYSA-N 289.251 -0.370 50 20 CBGD CCNC(=O)NNC(=O)c1cc(C(=O)O)ccn1 1596470670 CVXLCMNQYWLQQX-UHFFFAOYSA-N 252.230 -0.256 50 20 CBGD Cc1cnc([C@H](C)CNC(=O)NNC(=O)C(=O)O)s1 1600617509 LDSWGSJYAVNALJ-RXMQYKEDSA-N 286.313 -0.030 50 20 CBGD CC(=O)NNC(=O)c1cccc(OCC(=O)O)c1 1602760405 IJJOYWHBBQGXCD-UHFFFAOYSA-N 252.226 -0.069 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)NC[C@H]1C[C@H]1C(=O)O 1608369119 GPELLKHRCWULPZ-NXEZZACHSA-N 292.295 -0.325 50 20 CBGD CNC(=O)NNC(=O)c1cccc(-n2cnnn2)c1 48949384 MZIZNDDZPSJGMN-UHFFFAOYSA-N 261.245 -0.764 50 20 CBGD CCCCO[C@@H](C)C(=O)NNC(=O)C(=O)NC1CC1 65537821 DCHUEPYPFJJGRO-QMMMGPOBSA-N 271.317 -0.382 50 20 CBGD CN(CC(=O)NNC(=O)c1ccccc1)[C@H]1CCNC1 71310622 CMRZWCZIOBIIDD-LBPRGKRZSA-N 276.340 -0.259 50 20 CBGD Cn1cc(C(=O)NNS(=O)(=O)CCC2CC2)cn1 92276403 TVWCUBCTQIZODG-UHFFFAOYSA-N 272.330 -0.216 50 20 CBGD O=C(CN1CC[C@H](CO)C1)NNC(=O)c1ccc(F)cc1 156194800 GKNSENUGZXCTNY-JTQLQIEISA-N 295.314 -0.099 50 20 CBGD CNc1nc(C)cc(C(=O)NNC(=O)c2cc(C)n[nH]2)n1 288244453 QSPGRGDJDLLCHO-UHFFFAOYSA-N 289.299 -0.067 50 20 CBGD CCN1C[C@H](C(=O)NNC(=O)NCCCOC)CC1=O 299231946 JGMAFHYYWMEZDA-SECBINFHSA-N 286.332 -0.778 50 20 CBGD Cc1c(/C=C(\C#N)C(=O)NOCC(N)=O)cc(C#N)n1C 490814006 SWCYOWVBXJNWDX-XCVCLJGOSA-N 287.279 -0.355 50 20 CBGD COC(=O)NN=Cc1cnc(N2CCN(C)CC2)nc1 494154363 MBPWHMSODKBYQF-UHFFFAOYSA-N 278.316 -0.082 50 20 CBGD C[C@]1(O)CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584981539 YMKSNLSLRHGYKX-LBPRGKRZSA-N 267.065 -0.898 50 20 CBGD C[C@H]1[C@H](CO)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584982201 MFFBFKUEUGVGRK-WPRPVWTQSA-N 281.092 -0.652 50 20 CBGD CN(C[C@H]1CCCN1C)C(=O)c1cc(B(O)O)ccc1F 585000175 KGTTWUULVTYPNE-LLVKDONJSA-N 294.135 -0.328 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2[C@@H]3COC[C@@H]3[C@H]2C1 585010144 LELYFZIUOWOTPV-XDQVBPFNSA-N 287.124 -0.669 50 20 CBGD C[C@H](CNCc1ccc(B(O)O)cc1)N(C)C1CC1 585023797 MJYQARPNNLHKJJ-LLVKDONJSA-N 262.162 -0.061 50 20 CBGD C[C@@H](C[S@@](C)=O)NCc1ccc(B(O)O)cc1F 585034950 NSBWCEQNSQNTKE-DCXZOGHSSA-N 273.138 -0.638 50 20 CBGD O=C1[C@H](NCc2ccc(B(O)O)cc2)CCN1C1CC1 585039384 UAFRKZAHDQQYEO-CYBMUJFWSA-N 274.129 -0.781 50 20 CBGD Cc1cc(N2C[C@@H](C(=O)NCB(O)O)CC2=O)ccc1F 585063448 ZUSSDADQXUDBFY-VIFPVBQESA-N 294.091 -0.385 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CCN2CCC[C@H]2C1 731280840 FECAPZDUHOJZTJ-QWRGUYRKSA-N 284.360 -0.020 50 20 CBGD CCn1nc(C(=O)NNC(=O)C(C)C)ccc1=O 732054309 UAOYSJJSGFHKCZ-UHFFFAOYSA-N 252.274 -0.320 50 20 CBGD C[C@H](CN(C)CC(=O)NNC(=O)C1CC1)C(=O)O 736572853 SOSAUNJHTWHZKD-SSDOTTSWSA-N 257.290 -0.804 50 20 CBGD COc1ncnc(N)c1C=NNC(=O)N1CCOCC1 747631011 XIHAFNLNOKSKBX-UHFFFAOYSA-N 280.288 -0.557 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1C 752085412 XQECAYCEKQEOJA-QMMMGPOBSA-N 265.273 -0.900 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H](C)CO[C@H]1CCOC1 753949350 ZLWJLPQXSVEKHT-UWVGGRQHSA-N 289.332 -0.453 50 20 CBGD CCC(CC)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758048354 RYFMQHWYADQEFM-SSDOTTSWSA-N 279.362 -0.492 50 20 CBGD Cc1ccc(C)c(NC(=O)C(=O)NNC(=O)CO)c1 764421220 HOXMVHCRXQAXRP-UHFFFAOYSA-N 265.269 -0.618 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)NC2CC2)oc1C 767812827 BAIINTGHLVULHV-UHFFFAOYSA-N 265.269 -0.064 50 20 CBGD CCC(=O)NN=C(C)c1cn(CC(=O)OC)nn1 772832462 DTMWINNXGQCJFQ-UHFFFAOYSA-N 253.262 -0.299 50 20 CBGD O=C(Cn1cnc2ccccc21)NNC(=O)c1nc[nH]n1 773253439 ZWOGJFWDYWEFDE-UHFFFAOYSA-N 285.267 -0.384 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)c1ccccn1 780849428 KVKCAAAHSHFSCO-UHFFFAOYSA-N 250.258 -0.631 50 20 CBGD COc1ccc(NCC(=O)NNC(=O)c2nc[nH]n2)cc1 781417529 ZXPUTNRLVGQMJX-UHFFFAOYSA-N 290.283 -0.314 50 20 CBGD CCNC(=O)NNC(=O)CCn1c(C)cc(O)cc1=O 783574875 DHZVMRSTQIRKLT-UHFFFAOYSA-N 282.300 -0.397 50 20 CBGD CC(C)CC(=O)NNC(=O)NCCOCCN(C)C 788014957 WKZFUQOAEGDETN-UHFFFAOYSA-N 274.365 -0.059 50 20 CBGD COC(=O)C(C)(C)CS(=O)(=O)NNC(=O)C(C)C 808069718 HGYBQIRFFGCYNQ-UHFFFAOYSA-N 280.346 -0.208 50 20 CBGD O=C(NCCn1cncn1)NNc1ncncc1F 814304277 RCIXALOOHPVAON-UHFFFAOYSA-N 266.240 -0.467 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H]1COCCN1CC(F)F 822799298 ABAANONNGGLNRR-QMMMGPOBSA-N 294.302 -0.307 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](n2ccnn2)C1 823469564 XYAOWESWLSWZMF-QWRGUYRKSA-N 294.359 -0.139 50 20 CBGD O=C(NNC(=O)c1cc[nH]n1)Nc1nc2n(n1)CCCC2 823736370 ZTZRJAOOHMRBAU-UHFFFAOYSA-N 290.287 -0.196 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 823989187 PBCMVPJRGWMCAE-ZETCQYMHSA-N 289.299 -0.166 50 20 CBGD CC1=NO[C@H](C(=O)NNC(=O)N2CCOCC2)C1 824621793 XRWJUVMXYHDMMY-QMMMGPOBSA-N 256.262 -0.776 50 20 CBGD N#C[C@H]1CC[C@@H](NC(=O)NNC(=O)C(=O)N2CCCC2)C1 824777806 LMYJVSNLQLIGAO-VHSXEESVSA-N 293.327 -0.369 50 20 CBGD O=C1CN(CC(=O)NNc2ccc(F)cc2F)CCN1 827836084 ZCKDEEASCCSJBG-UHFFFAOYSA-N 284.266 -0.160 50 20 CBGD CN(C)S(=O)(=O)NCC(=O)NNc1ccnc(F)c1 831919230 WXYQASLVDCJSRL-UHFFFAOYSA-N 291.308 -0.940 50 20 CBGD C[C@H]1CC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)CO1 842525752 VUAKKRYLUSDMKX-JGVFFNPUSA-N 260.315 -0.298 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=S)NCCN(C)C 843277406 QAGISUJRNLEVNN-IUCAKERBSA-N 274.390 -0.532 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCn2cncc2C1 852066928 VRHUQJLSXBJVSX-UHFFFAOYSA-N 265.317 -0.498 50 20 CBGD CC(Cn1cncn1)=NNC(=O)N1CCN(C)CC1 853337829 UUGCCQRQSFSWOH-UHFFFAOYSA-N 265.321 -0.389 50 20 CBGD CS/C=C/C(=O)NNC(=O)N1CCN(C)CC1 854378840 DWAQRDAVMUBGGQ-FPYGCLRLSA-N 258.347 -0.149 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@](C)(O)C2CCC2)CC1 854383232 ZDCFNQSNEXRHQO-ZDUSSCGKSA-N 284.360 -0.474 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)OCC(F)(F)F)C1 856020270 ADDCZHQLSMVISF-UHFFFAOYSA-N 283.206 -0.216 50 20 CBGD CC(C)N1C[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)CC1=O 858283227 DOSJZERFKSYNTQ-VIFPVBQESA-N 294.315 -0.637 50 20 CBGD C[C@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC(C)(C)O1 858696355 JOFMLKALRJXBGD-DTWKUNHWSA-N 298.343 -0.495 50 20 CBGD CCO[C@H](C(=O)NNC(=O)c1cnn(C)c1)C1CC1 859446988 ISGHBWGIQLLTAT-JTQLQIEISA-N 266.301 -0.004 50 20 CBGD C[C@H](C(=O)NNC(=O)NCC(F)(F)F)[C@@H]1CCC(=O)N1 861514562 GANUWZMURMKEJT-WDSKDSINSA-N 296.249 -0.206 50 20 CBGD CC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)c1ccnnc1 862020074 JIMJLYPUNIEMMY-LLVKDONJSA-N 293.327 -0.212 50 20 CBGD N#Cc1ccsc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862454183 REWMTXCWNDJTTL-ZETCQYMHSA-N 278.293 -0.341 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc(F)cn2)N1 862462671 ZLWSBEULQBHIEE-MRVPVSSYSA-N 266.232 -0.740 50 20 CBGD CCO[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CC1 862463325 AQAKTKMMAKSQSL-SCZZXKLOSA-N 269.301 -0.773 50 20 CBGD O=C(Cn1cc(C2CC2)cn1)NNC(=O)[C@@H]1CCC(=O)N1 862464157 SWOFOHOJUXXDJD-JTQLQIEISA-N 291.311 -0.814 50 20 CBGD O=C1CC[C@H](C(=O)NN=Cc2cc3c(cc2O)OCO3)N1 863144694 DETJFTZYOOJRDI-MRVPVSSYSA-N 291.263 -0.150 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1cc(O)cc(O)c1 863187906 URZKFJLPNMLJPA-UHFFFAOYSA-N 286.309 -0.017 50 20 CBGD CN(CCOCCN)CC(=O)NNC(=O)c1ccccc1 863555095 NOYVUJRVESHEKC-UHFFFAOYSA-N 294.355 -0.645 50 20 CBGD CN(C)C1(C(=O)NNc2ncnc3[nH]cnc23)CC1 863881125 MFIREUPWLBRLHL-UHFFFAOYSA-N 261.289 -0.110 50 20 CBGD CN(NC(=O)c1cc(B(O)O)ccc1F)C1CC1 863885349 YUHOACVSEAEPNL-UHFFFAOYSA-N 252.054 -0.756 50 20 CBGD N#Cc1c(N2CC[C@@H](B(O)O)C2)cccc1S(N)(=O)=O 864233416 JIVMDLMOYWEUBW-MRVPVSSYSA-N 295.129 -0.741 50 20 CBGD Cc1cc(C(=O)NNC(=O)C2(F)CCOCC2)n[nH]1 867067971 BSOQWEJEGSBFLW-UHFFFAOYSA-N 270.264 -0.002 50 20 CBGD COCCOCC(=O)NNC(=O)CC[C@@H](C)OC 869907935 UVIUMJIKZZEQFW-SECBINFHSA-N 262.306 -0.388 50 20 CBGD CN(C)S(=O)(=O)CCC(=O)NNc1ccc(F)cn1 874649163 JPLIRKDGGFQEAX-UHFFFAOYSA-N 290.320 -0.055 50 20 CBGD C[C@H](NCc1ccccc1B(O)O)c1nnnn1C1CC1 877473518 IMNGFBVXEZVYMU-VIFPVBQESA-N 287.132 -0.461 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)cc1)c1nnnn1C1CC1 877474005 QKMCUZXGRKMKMR-SECBINFHSA-N 287.132 -0.461 50 20 CBGD CC[C@H](O)[C@H](C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 911503453 UNBCEDJQYOYHII-QEYWKRMJSA-N 258.318 -0.034 50 20 CBGD CCNC(=O)NNC(=O)[C@@H](C)OC[C@H]1CCCO1 921030993 XIKXMCGKIXKSAU-RKDXNWHRSA-N 259.306 -0.079 50 20 CBGD CCOC(=O)[C@H]1CCN(CC(=O)NNC(=O)C(C)C)C1 932638751 KFQOAVIKERGWDY-JTQLQIEISA-N 285.344 -0.325 50 20 CBGD CNC(=O)c1cccc(C(=O)NNc2ncccn2)n1 1116277750 PIKYLAQIPBGSEA-UHFFFAOYSA-N 272.268 -0.012 50 20 CBGD O=C(NNc1ncc(F)cn1)c1cc2n(n1)CCO2 1117709986 ODNNKMOIRRTOGY-UHFFFAOYSA-N 264.220 -0.039 50 20 CBGD COC(=O)N(C)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 1118382142 UBPZHHWMNHPXBT-SSDOTTSWSA-N 279.318 -0.572 50 20 CBGD N#CC1=CCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 1118694719 HPFLQXBNKGPUPA-IJLUTSLNSA-N 264.281 -0.919 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)C1CCOCC1 1119665626 VZKVCKGCRIXMSK-SECBINFHSA-N 269.301 -0.819 50 20 CBGD COc1ccc(NC(=O)NNC(=O)C(=O)NC2CC2)cn1 1251173200 YLVIUQRCGUXKJT-UHFFFAOYSA-N 293.283 -0.479 50 20 CBGD Cc1cnn(C)c1C=NNC(=O)N[C@H]1CCS(=O)(=O)C1 1257399210 NDBCXRAYUIRSJL-VIFPVBQESA-N 299.356 -0.451 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)C(=O)NCC1CC1 1261740939 WOYBYVQPNWTIDU-UHFFFAOYSA-N 267.207 -0.388 50 20 CBGD COCCOCC(=O)NNC(=O)c1cnn(C)c1C1CC1 1261880488 DHKHDWZEHWFMLG-UHFFFAOYSA-N 296.327 -0.279 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cnn(CC(C)C)c1 1320241224 PZKZHLGXOBPMPR-UHFFFAOYSA-N 297.315 -0.729 50 20 CBGD COCc1nn(C)cc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1326678156 UOJGCLZKYDRGRG-BDAKNGLRSA-N 296.327 -0.248 50 20 CBGD COc1c(C(=O)NNC(=O)C(=O)NC(C)C)c(C)nn1C 1327920365 LRKSRGCSINGAPQ-UHFFFAOYSA-N 297.315 -0.977 50 20 CBGD O=C(C[C@@H]1CC(=O)N1)NNC(=O)CC(F)(F)F 1329332977 AGDNLNOMOXDWCJ-BYPYZUCNSA-N 253.180 -0.635 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CCCCCC#N 1330167507 CJCXGZYYEIJBMO-UHFFFAOYSA-N 275.330 -0.348 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCCS(=O)(=O)C1 1330261217 LFELDWPWPJJFGN-DTWKUNHWSA-N 264.347 -0.845 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NOCCC(F)(F)F)N1 1332649376 GBXWBCWBRYBLAQ-YFKPBYRVSA-N 298.221 -0.521 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cc(C2CC2)n(C)n1 1347348996 WWVOXZHEAHVTPN-UHFFFAOYSA-N 279.300 -0.207 50 20 CBGD CCOC(=O)[C@@H](NC(=O)c1ccc(B(O)O)cc1)C1CC1 1351703668 FJZRFUVPTWAUHP-LBPRGKRZSA-N 291.112 -0.562 50 20 CBGD C[C@H](NNC(=O)[C@H]1CN2CCN1C[C@H]2C)C(F)(F)F 1521747503 LLSKOVPCYBUWJZ-HRDYMLBCSA-N 280.294 -0.054 50 20 CBGD COC(=O)[C@@H](N)CCC(=O)NNC(=S)NC(C)C 1573928050 NMFFYEWTCSDUQC-ZETCQYMHSA-N 276.362 -0.829 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2 1580573061 AUZVBZXSIKTHGT-WOPDTQHZSA-N 289.339 -0.153 50 20 CBGD C#CCN(CC(=O)O)C(=O)/C(C#N)=C/c1cnn(C)c1 1588397333 DXKKGDKIXYLIIP-VZUCSPMQSA-N 272.264 -0.127 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCC(=O)O 1589418313 YNTJWNGLFBIKSL-BQBZGAKWSA-N 259.262 -0.784 50 20 CBGD O=C(NCC1(C(=O)O)CCC1)NNC(=O)c1ncon1 1594742038 SFOXIHSRJYSTRB-UHFFFAOYSA-N 283.244 -0.732 50 20 CBGD CCN1CCO[C@@H](C(=O)NNc2ccc(C(=O)O)cn2)C1 1596441975 BTXDPRIOMZGIEJ-SNVBAGLBSA-N 294.311 -0.056 50 20 CBGD COC(=O)NCCC(=O)NNc1ccc(C(=O)O)cn1 1598883941 ZVIHEADKKQVJLT-UHFFFAOYSA-N 282.256 -0.031 50 20 CBGD O=C(O)c1ccc(C(=O)N2CC[C@H](B(O)O)C2)o1 1602315233 PTPBJEPDMSHWOI-LURJTMIESA-N 253.019 -0.333 50 20 CBGD Cn1cnnc1CNS(=O)(=O)CCCCl 38008253 IBLRMZUWVSOLIG-UHFFFAOYSA-N 252.727 -0.137 50 20 CBGD C[C@H](O)CN(C)CC(=O)NNC(=O)c1cccs1 51822128 IFIJOZQJUGRHIB-QMMMGPOBSA-N 271.342 -0.178 50 20 CBGD C[C@H](CS(C)(=O)=O)NS(=O)(=O)CBr 127493020 VVOSUFBXUHXANL-RXMQYKEDSA-N 294.192 -0.309 50 20 CBGD O=C(NNC(=O)[C@H](O)c1ccccc1)C(=O)N1CCCC1 266895127 XMUSHCKZKHVSGE-LLVKDONJSA-N 291.307 -0.510 50 20 CBGD CCS(=O)(=O)CC(=O)NNc1ccc(OC)cn1 275636306 SVAVPOARKIROCQ-UHFFFAOYSA-N 273.314 -0.032 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCc1ccncc1 276224857 ISYRUYQKQGYYIS-UHFFFAOYSA-N 251.286 -0.068 50 20 CBGD COCCOCC(=O)NNC(=O)c1cccc(C)n1 279846740 SOMAXRBFWVYMFF-UHFFFAOYSA-N 267.285 -0.186 50 20 CBGD CO/N=C/C(=O)NNC(=O)c1ccc2c(c1)OCCO2 282891982 GETZVRGCKUXCMG-NTUHNPAUSA-N 279.252 -0.149 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CCCN1c1ccccc1 377195029 CKZCIXGSZRUILB-LLVKDONJSA-N 263.297 -0.205 50 20 CBGD CC(C)n1cc(C(=O)Nc2cccc(B(O)O)c2)nn1 584912621 SPUGETSKDVJKDG-UHFFFAOYSA-N 274.089 -0.209 50 20 CBGD Cc1c([C@@H](C)NC(=O)c2ccc(B(O)O)cc2)cnn1C 584931123 IYLBEHAVJQQDOO-SECBINFHSA-N 287.128 -0.101 50 20 CBGD O=C(N[C@H]1CC[C@@H](CO)CC1)c1ccc(B(O)O)c(F)c1 584963809 YIYCQGCHSRSBCR-JGZJWPJOSA-N 295.119 -0.214 50 20 CBGD N#CC1(NC(=O)c2cccc(B(O)O)c2)CCSCC1 584967630 YRSCERKWIZOMKL-UHFFFAOYSA-N 290.153 -0.114 50 20 CBGD CCN1CC[C@@H](NCc2ccc(B(O)O)o2)C[C@@H]1C 585022922 DAVFIFVOZRSSMB-WDEREUQCSA-N 266.150 -0.078 50 20 CBGD CC[C@H](C)[C@H](O)CNCc1ccc(B(O)O)cc1 585023949 OMMHVZXISZAIGO-GXFFZTMASA-N 251.135 -0.137 50 20 CBGD C[C@@H](CNCc1ccc(B(O)O)o1)N(C)C1CC1 585024075 PUNMDHFANZZYCT-VIFPVBQESA-N 252.123 -0.468 50 20 CBGD C[C@H](CO[C@@H]1CCOC1)NCc1ccc(B(O)O)o1 585030821 JKLUNQMYSMLCTL-MWLCHTKSSA-N 269.106 -0.757 50 20 CBGD CCCN1C[C@H](CNCc2ccc(B(O)O)cc2)CC1=O 585047906 HTGYRXRTLYYSBI-ZDUSSCGKSA-N 290.172 -0.286 50 20 CBGD CCS(=O)(=O)CC(C)=NNC(=O)N1CCOCC1 733746978 HWZABWXQYBLSOL-UHFFFAOYSA-N 277.346 -0.161 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](O)C(C)(C)C 735416800 ITSQHZGFQZQRPT-APPZFPTMSA-N 274.317 -0.118 50 20 CBGD O=C(O)CN(CC(=O)NNC(=O)C1CC1)C1CC1 738604626 JHCAYQIPJIIIHF-UHFFFAOYSA-N 255.274 -0.907 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2ccc(C(N)=O)o2)n[nH]1 747591357 XCEIESDMBRIOAG-UHFFFAOYSA-N 277.240 -0.515 50 20 CBGD Cc1[nH]ccc1C(=O)NNC(=O)C(=O)N1CCCC1 749937501 AVLZNKHRKWDHMB-UHFFFAOYSA-N 264.285 -0.293 50 20 CBGD C[C@]1(C(=O)NNC(=O)Cc2cc[nH]n2)CCOC1 755287262 WJAHRNKEUIAXTQ-NSHDSACASA-N 252.274 -0.474 50 20 CBGD CCO[C@H](C)C(=O)NNc1ccc(C(N)=O)nn1 757400376 QKNIDUCHJCYYHC-ZCFIWIBFSA-N 253.262 -0.556 50 20 CBGD CCOCCNC(=O)NNc1nc(O)c2cnn(C)c2n1 770342896 WBSOZYNUKMELGQ-UHFFFAOYSA-N 295.303 -0.269 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(OC)c1F 770772341 XLGOOVFSYOGNPJ-UHFFFAOYSA-N 299.258 -0.433 50 20 CBGD COc1ccc(C(=O)NNC(=O)CO)cc1OC 777781009 DOWTVCXUDKKPDW-UHFFFAOYSA-N 254.242 -0.543 50 20 CBGD CCOC(=O)[C@H](CO)NS(=O)(=O)CCCCCl 780832980 UVROSBHEOUSWDQ-QMMMGPOBSA-N 287.765 -0.151 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)[C@@H](C)CCOC 782477062 GDRRNQJDYRNYCE-QMMMGPOBSA-N 267.351 -0.093 50 20 CBGD CNC(=O)NNC(=O)CSc1nnc2ccccn12 782587186 IIERYZDTQQHQGB-UHFFFAOYSA-N 280.313 -0.218 50 20 CBGD COCCCNC(=O)NNC(=O)c1cccc2nn[nH]c12 783577431 WFPXIAORVTYJPE-UHFFFAOYSA-N 292.299 -0.062 50 20 CBGD CN1C(=O)Cc2cc(NC(=O)NNC(=O)CO)ccc21 788712136 VJSDZISBVKNBPE-UHFFFAOYSA-N 278.268 -0.650 50 20 CBGD CC1(NC(=S)NNC(=O)C(=O)N2CCCC2)CC1 789213395 RKQXTOXUKUBMJX-UHFFFAOYSA-N 270.358 -0.343 50 20 CBGD O=C(C[C@@H]1CCCOC1)NNC(=O)N1CCOCC1 793272179 FWVDKRZVJFRLTE-JTQLQIEISA-N 271.317 -0.124 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CC[C@]1(C)CCC(=O)N1 793927597 YGFXOCASLXBIDL-LBPRGKRZSA-N 271.317 -0.646 50 20 CBGD CCOC(=O)[C@H](C)[C@@H](C)NCC(=O)NNC(=O)C1CC1 801540928 HHTRPGFKCUPKLY-RKDXNWHRSA-N 285.344 -0.279 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CC[C@@H]1C(N)=O 816823892 JTUGPSIBPVONFD-JGVFFNPUSA-N 264.285 -0.702 50 20 CBGD CN(NC(=O)c1ccc(S(N)(=O)=O)nc1)C1CC1 819649867 ARDASVBDJUCKCO-UHFFFAOYSA-N 270.314 -0.532 50 20 CBGD CCC[C@@H](C(=O)NNC(=O)C(C)(C)C)S(N)(=O)=O 822244749 NPDYXHONRFOCPU-ZETCQYMHSA-N 279.362 -0.363 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccc(-c2nn[nH]n2)cn1 825470340 BGGLRFSCRJOLGG-UHFFFAOYSA-N 290.287 -0.432 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)c1cccc(C)n1 834816277 RSZHHTBJINSJQG-JTQLQIEISA-N 267.285 -0.188 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@](C)(CN)C1 843382967 UOABKGHZACIXQA-BXKDBHETSA-N 256.350 -0.397 50 20 CBGD C[C@@H]1CCCN(C(=O)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1 843973656 ZAENRLLFGWSQGH-MXWKQRLJSA-N 297.355 -0.183 50 20 CBGD C=C[C@H](C)ONC(=O)NNC(=O)[C@@H](C)OCCOC 845630542 RXCRGESHLALYOD-DTWKUNHWSA-N 275.305 -0.126 50 20 CBGD O=C(NNC(=O)[C@H]1CCCN1C1CC1)c1cc[nH]n1 855356214 IXDCNTSAKOJIQG-SNVBAGLBSA-N 263.301 -0.203 50 20 CBGD CSCC[C@@H](O)C(=O)NNC(=O)c1cc[nH]n1 855357205 DHTYWAAJFQNKAT-SSDOTTSWSA-N 258.303 -0.715 50 20 CBGD O=C(NNC(=O)C1(O)CCSCC1)c1cc[nH]n1 855357675 ORYZPJGWULRGRW-UHFFFAOYSA-N 270.314 -0.571 50 20 CBGD CCN(CC)CCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858120407 DEKINTDEPMHVTB-JTQLQIEISA-N 299.375 -0.673 50 20 CBGD CC[C@H](CSC)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858346891 SXCODJOZZVJQKP-SFYZADRCSA-N 288.373 -0.263 50 20 CBGD COC[C@H](NC(=O)NNC(=O)c1cn[nH]c1)[C@@H]1CCCO1 858406808 WIFCBKLSMNAQFV-UWVGGRQHSA-N 297.315 -0.452 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC[C@@H](C3CC3)C2)N1 858697331 RRKHZUKYGVDGTO-NXEZZACHSA-N 280.328 -0.262 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)ccc1O 862460405 GFDUBGDUNYGVGL-SECBINFHSA-N 277.280 -0.260 50 20 CBGD CC(C)CO[C@H](C)C(=O)NNC(=O)CS(C)(=O)=O 863459928 JQGDCKGSWGKZJS-MRVPVSSYSA-N 280.346 -0.761 50 20 CBGD CON1CCC(NC(=O)c2cccc(B(O)O)c2)CC1 863884591 OBIVLMMBYWMUCQ-UHFFFAOYSA-N 278.117 -0.878 50 20 CBGD C=C[C@](C)(O)CC(=O)NNC(=O)COCCOC 869906885 VMLSXOAWFVUVID-NSHDSACASA-N 260.290 -0.876 50 20 CBGD CN(CCO)CCNS(=O)(=O)CCCCl 885804149 GWUCMRBGHFRJSD-UHFFFAOYSA-N 258.771 -0.541 50 20 CBGD C#CCSCC(=O)NNC(=O)C(=O)NC(C)C 900007723 RDDRPIOGVYJNKG-UHFFFAOYSA-N 257.315 -0.975 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@]1(Cl)C[C@H]2CC[C@H]1O2 907624241 BUEPMXQYAUVXJE-AMXGMDGSSA-N 276.720 -0.166 50 20 CBGD CCOC1(C(=O)NN(C)C[C@@H](C)O)CCOCC1 910140297 ZISCOCDFZDTOPB-SNVBAGLBSA-N 260.334 -0.084 50 20 CBGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)C(C)C 915688963 AIPFTNNGGASLHI-UHFFFAOYSA-N 264.347 -0.139 50 20 CBGD CC(=NNC(N)=O)c1cccc(S(N)(=O)=O)c1 915934359 ZGNBLRARCCYTGW-UHFFFAOYSA-N 256.287 -0.274 50 20 CBGD Cc1ccc(CC(=O)NNC(=O)CN2CCCC2=O)cn1 920433675 XRQNACIBWWXUOU-UHFFFAOYSA-N 290.323 -0.298 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(C)on1 1116639579 OHDMPAPXNLRLKG-UHFFFAOYSA-N 269.261 -0.386 50 20 CBGD O=C(NNC(=S)NC1CCC1)[C@H]1CCS(=O)(=O)C1 1117697421 DREJGLYYKYRHET-ZETCQYMHSA-N 291.398 -0.531 50 20 CBGD CC(=O)NNC(=O)Cc1cccc(NS(C)(=O)=O)c1 1117738987 VYVJWDTYXJRGBF-UHFFFAOYSA-N 285.325 -0.232 50 20 CBGD CS(=O)(=O)c1ccccc1NNC(=O)COCCN 1118268454 XWLOVAGMLCTBAG-UHFFFAOYSA-N 287.341 -0.492 50 20 CBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)CC(F)(F)F 1118772789 ADTVNPAHHQDXLG-RFZPGFLSSA-N 267.207 -0.402 50 20 CBGD COCCCCN(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1118865065 XFQIOHKJYJNMDI-SECBINFHSA-N 286.332 -0.636 50 20 CBGD C[C@@H]1CC(=O)CC[C@H]1C(=O)NNC(=O)CN1CCCC1=O 1119663453 PVPRSUUYQUOSTD-MWLCHTKSSA-N 295.339 -0.239 50 20 CBGD CNC(=O)NNC(=O)c1ccn(-c2ccncc2)n1 1255909542 QTYSDUPYOKBMBX-UHFFFAOYSA-N 260.257 -0.159 50 20 CBGD NC(=O)Cn1cc(C(=O)NNc2ccc(F)cc2)nn1 1318722965 DYGLSGLGKGWWIK-UHFFFAOYSA-N 278.247 -0.341 50 20 CBGD Cn1ccc(CNC(=O)NNC(=O)c2cnn(C)c2)c1 1318928864 VZUQGDLIWLWOOP-UHFFFAOYSA-N 276.300 -0.097 50 20 CBGD COC(=O)N(C)CC(=O)NNc1nncc(N)c1Cl 1319776069 CRWKJXVODPCATB-UHFFFAOYSA-N 288.695 -0.147 50 20 CBGD CNC(=O)CC1CCN(CC(=O)NNC(=O)C2CC2)CC1 1319933958 HZCHRXZSANOXOM-UHFFFAOYSA-N 296.371 -0.608 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCO[C@H](C)C1 1319972036 FBKSLCVYXSHYLD-RNFRBKRXSA-N 259.262 -0.943 50 20 CBGD CCNC(=O)NNC(=O)c1cn(CCOC)nc1C 1320278662 YRSJPAHLMITLJR-UHFFFAOYSA-N 269.305 -0.198 50 20 CBGD O=C(NNC(=O)c1cc2occc2[nH]1)C(=O)NC1CC1 1320343791 DIQXRZWPGHHSBS-UHFFFAOYSA-N 276.252 -0.200 50 20 CBGD CCCCNC(=O)NNC(=O)c1cnn(C)c1N 1321062574 NECJOUHWVJSBOC-UHFFFAOYSA-N 254.294 -0.254 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cccc(O)n2)CC1 1327917435 QLSUDULIFCWMKW-UHFFFAOYSA-N 279.300 -0.611 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 1329222289 HAIPKPTZUZWZKY-IMTBSYHQSA-N 279.300 -0.606 50 20 CBGD COc1cc(NC(=O)C(=O)NNC(=O)C2CCCC2)[nH]n1 1331761857 LOLVRANYRLIRHO-UHFFFAOYSA-N 295.299 -0.306 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCc1ccccc1 1339819688 SOHZRKVAKYBETJ-UHFFFAOYSA-N 265.269 -0.268 50 20 CBGD N#C/C(=C/c1cn(CC(=O)O)nn1)C(=O)NC1CC1 1341210285 BXJREDUEIZXQSE-CLTKARDFSA-N 261.241 -0.452 50 20 CBGD Cc1cc(=O)c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c[nH]1 1349454586 AJONVRSEGCWMME-BDAKNGLRSA-N 279.296 -0.131 50 20 CBGD C[C@H](CO)N(C)NC(=O)C1CCN(S(C)(=O)=O)CC1 1352229355 IRLAOYJTNDARDJ-SECBINFHSA-N 293.389 -0.998 50 20 CBGD CCN(CCO)NC(=O)c1c(C)nc(O)nc1S 1520257581 OIEQAJIFPQIIPE-UHFFFAOYSA-N 272.330 -0.262 50 20 CBGD O=C(NN=Cc1cc[nH]n1)[C@H]1CN2CCC[C@@H]2CO1 1549317855 NBAPGHODDGCEHQ-GHMZBOCLSA-N 263.301 -0.277 50 20 CBGD COCC1(C(=O)NNC(=O)c2cccnn2)CCNCC1 1578977237 ZJRFLRBVMXYQDW-UHFFFAOYSA-N 293.327 -0.746 50 20 CBGD Nc1cc(F)ccc1C(=O)NNC(=O)C(=O)N1CCCC1 1580436921 YTPUEAKTHUCZMP-UHFFFAOYSA-N 294.286 -0.209 50 20 CBGD C=C(CCC(=O)O)C(=O)NNC(=O)N1CCOCC1 1588630488 NMNCLNRHPKSDJR-UHFFFAOYSA-N 271.273 -0.520 50 20 CBGD CC(=NNC(=O)[C@@H]1CCO[C@@H]1C)c1cn(CC(=O)O)nn1 1589010575 CGMAHYRNQMEMSR-RKDXNWHRSA-N 295.299 -0.372 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(C(=O)O)CCC1 1589425055 UGGOOTCGAMRFTD-ZETCQYMHSA-N 286.284 -0.270 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)[C@H]2CCCO2)O[C@H]1C(=O)O 1599875756 FBSZHOVCHXTRSP-FNCVBFRFSA-N 286.284 -0.809 50 20 CBGD C[C@H](NNC(=O)Cn1cc(C(=O)O)nn1)C(F)(F)F 1604350605 WUSMQVPVKYDVPU-BYPYZUCNSA-N 281.194 -0.452 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(C(=O)O)[nH]1 1610549810 ZBZOSQGFZVDMSM-UHFFFAOYSA-N 277.240 -0.181 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccccc1[N+](=O)[O-] 48962000 QPPYPABQKHFHLB-UHFFFAOYSA-N 274.258 -0.283 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(-n2ccnc2)nc1 113424991 PDXMWTADQUAHDM-UHFFFAOYSA-N 288.311 -0.410 50 20 CBGD NC(=O)COCCNS(=O)(=O)CCCCCl 154694701 AEVQAQXVMWDUDP-UHFFFAOYSA-N 272.754 -0.573 50 20 CBGD C=C(C)CNC(=O)NNC(=O)CNC(=O)c1ccco1 192664356 FFXSGGLWDNFCRE-UHFFFAOYSA-N 280.284 -0.084 50 20 CBGD C[C@@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)N(C)C 194923040 XKRSVVXDZRARPR-SSDOTTSWSA-N 258.322 -0.160 50 20 CBGD CCCNC(=O)/C(C#N)=C\c1cn(C)c(=O)n(C)c1=O 255480009 BLEPOGZXHOPQQG-TWGQIWQCSA-N 276.296 -0.483 50 20 CBGD Cc1ccc(S(N)(=O)=O)c(C(=O)NNC(=O)C2CC2)c1 270898671 FEIGRRDIBRECFQ-UHFFFAOYSA-N 297.336 -0.187 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H](NC(=O)COC)C(C)C 271242552 AUDTVBNAXRFHAY-JTQLQIEISA-N 288.348 -0.534 50 20 CBGD COC(=O)N(C)NC(=O)CS(=O)(=O)C(C)(C)C 495627775 YQMZGTOJHWDWMQ-UHFFFAOYSA-N 266.319 -0.071 50 20 CBGD CCCN(C)CC(=O)Nc1cccc(B(O)O)c1 584911760 YEKWUDSHRPOSBU-UHFFFAOYSA-N 250.107 -0.353 50 20 CBGD CCC[C@H](O)CNC(=O)c1cccc(B(O)O)c1 584959985 NFPZJXVDOMYLLQ-NSHDSACASA-N 251.091 -0.743 50 20 CBGD C[C@@]1(CO)CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584964451 DXBZIMYHGGMWMZ-CQSZACIVSA-N 295.119 -0.260 50 20 CBGD CO[C@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584968281 ABGWCRTZDYQALV-JTQLQIEISA-N 281.092 -0.244 50 20 CBGD CC1(C)[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)C[C@H]1O 584974275 NDYOQORACADXPY-WDEREUQCSA-N 281.092 -0.605 50 20 CBGD C[C@H]1CC[C@@H](CNC(=O)c2ccc(B(O)O)c(F)c2)N1C 584985937 SXEMCZXPFSTQPS-ONGXEEELSA-N 294.135 -0.282 50 20 CBGD COC[C@H]1CC[C@H]1NC(=O)c1ccc(B(O)O)cc1 584992078 LLYWFRIKXCBROB-ZYHUDNBSSA-N 263.102 -0.479 50 20 CBGD C[C@H](NCc1ccccc1B(O)O)C(=O)NC1CCCC1 585021963 QGCHIWCTIHYUEV-NSHDSACASA-N 290.172 -0.097 50 20 CBGD C[C@H](CC[S@](C)=O)NCc1ccc(B(O)O)o1 585030485 GFBJYANGCFKLES-RBHXEPJQSA-N 259.136 -0.794 50 20 CBGD C[C@@H](Cc1cnn(C)c1)NCc1ccc(B(O)O)cc1F 585044815 VFSBLJNWPCAYCQ-JTQLQIEISA-N 291.135 -0.040 50 20 CBGD COCCCOc1cccc(C(=O)NCB(O)O)c1 585060578 SOBRRAAUSIAGDX-UHFFFAOYSA-N 267.090 -0.156 50 20 CBGD O=C(NCB(O)O)c1cc(Cc2ccccc2)[nH]n1 585062794 NKDOPJYCOXRIKR-UHFFFAOYSA-N 259.074 -0.258 50 20 CBGD C=CCN(CC(=O)NNC(=O)C1CC1)CC(=O)OCC 733194967 YZJSFGIPYFUINT-UHFFFAOYSA-N 283.328 -0.405 50 20 CBGD COC(=O)[C@H](NNC(C)=O)c1ccc(-c2nn[nH]n2)cc1 736898615 QJAFMSZFKXMQBH-SNVBAGLBSA-N 290.283 -0.279 50 20 CBGD CC[C@@H](C(=O)NNc1nnc(C)c(O)n1)N1CCCC1=O 743296150 VSOSMHLJWMTNEG-QMMMGPOBSA-N 294.315 -0.270 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)N1CCOCC1 745986273 QNCGHYRIPMDEHS-UHFFFAOYSA-N 253.262 -0.595 50 20 CBGD CC(=O)Nc1cncc(C(=O)NNC(=O)c2cnn[nH]2)c1 746307282 QLQMRZGRDAPJJP-UHFFFAOYSA-N 289.255 -0.767 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 759749097 NRCFKUQEZVSNAN-SFYZADRCSA-N 286.332 -0.604 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1ccnc(N(C)C)n1 760153233 BRXFDLPLYFUICJ-UHFFFAOYSA-N 296.331 -0.910 50 20 CBGD CC(C)C(=O)NNC(=O)[C@H](NC(=O)C1CC1)[C@H](C)O 779473667 WTHQGEBDRIVNHF-IONNQARKSA-N 271.317 -0.935 50 20 CBGD N#C/C(=C\C1CC1)C(=O)OCCN1C(=O)CNC1=O 786674392 SIFXINVESPFGAE-WEVVVXLNSA-N 263.253 -0.059 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2CCNC(=O)C2)n1 794080035 KBQWEAGSUFZEIR-SECBINFHSA-N 276.296 -0.323 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CCN(C)C1=O 798305462 PZEAGZBRKVWDSS-ZETCQYMHSA-N 256.331 -0.854 50 20 CBGD CO[C@@H](C(=O)NNC(=O)C1CC1)c1cnn(C)c1 798825765 QLNJSDPTJFOLMZ-SECBINFHSA-N 252.274 -0.335 50 20 CBGD CC1=C(C(=O)NN(C)C2CC2)S(=O)(=O)CCO1 819649692 WUYMUMOSZUFRMX-UHFFFAOYSA-N 260.315 -0.212 50 20 CBGD C[C@@]1(C(=O)NNC(=O)CC(F)(F)F)CCNC1=O 823829468 UEJLOMPDBQDINR-MRVPVSSYSA-N 267.207 -0.388 50 20 CBGD CCN(CCO)NC(=O)c1ccn(CCn2cccn2)n1 823889025 FTRBMISPQICUBL-UHFFFAOYSA-N 292.343 -0.261 50 20 CBGD CCc1nocc1C(=O)NNC(=O)N1CCOCC1 824621711 UXARBCKTHDZPFA-UHFFFAOYSA-N 268.273 -0.076 50 20 CBGD C[C@H](N)C[C@@H](C)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 831202358 DUODLHVOHFXYNY-NGZCFLSTSA-N 292.405 -0.507 50 20 CBGD CCN1C[C@@H](NC(=O)NNc2ncccn2)CC1=O 838672421 DCIIMWFKSHPPJP-QMMMGPOBSA-N 264.289 -0.277 50 20 CBGD CCn1ncc(C=NNC(=O)NCCCOC)n1 841621562 JZYHAXZISBEWTB-UHFFFAOYSA-N 254.294 -0.032 50 20 CBGD COCCS(=O)(=O)NNC(=O)[C@H]1CCO[C@@H]1C 842591868 GVXRCXQNYFKOPH-SFYZADRCSA-N 266.319 -0.992 50 20 CBGD CCn1ccc(CC(=O)NNC(=O)c2cnn(C)c2)n1 844395603 UQJOGWWPRZRTNG-UHFFFAOYSA-N 276.300 -0.360 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(CCN)CC1 846227165 HYWMOXMOOLLTLR-JTQLQIEISA-N 270.377 -0.007 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H]1CCCS1(=O)=O 847392188 OENMPSBUVYNTBY-MRVPVSSYSA-N 277.346 -0.306 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)c1ccc2c(c1)OCO2 854180586 OHTKGIDEBIOMJE-NSHDSACASA-N 296.279 -0.162 50 20 CBGD C=CCCOCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858324193 UOPGTQXFOZERNI-SECBINFHSA-N 284.316 -0.812 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)CS1 858538744 PFJQJOTYJKXUHP-BWZBUEFSSA-N 286.357 -0.511 50 20 CBGD CCCN(CC(F)F)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858695836 HWMWRXTUKUVCFL-SSDOTTSWSA-N 292.286 -0.017 50 20 CBGD CC(C)n1cc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 860715378 UWIABHBJVFDEKG-VIFPVBQESA-N 294.315 -0.105 50 20 CBGD CCCC1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 862457816 REAQCOZZKYUSBN-MRVPVSSYSA-N 253.302 -0.007 50 20 CBGD CCCc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)no1 862461154 NXTOEXNPFFCCQH-QMMMGPOBSA-N 280.284 -0.333 50 20 CBGD Cc1cnc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C)c1 862461422 PAGOJDLLSRWUAK-VIFPVBQESA-N 276.296 -0.262 50 20 CBGD CC[C@](C)(C=NNC(=O)CS(C)(=O)=O)OC 863183604 IFZNRNRFFICOLA-SECBINFHSA-N 250.320 -0.052 50 20 CBGD CCC(CC)C(=O)NNC(=O)CS(C)(=O)=O 863459855 ZWIUZAMDQZKYKE-UHFFFAOYSA-N 250.320 -0.385 50 20 CBGD CN1CCC(ONC(=O)c2ccc(B(O)O)cc2)CC1 863880488 BEROSIRFQDWSOF-UHFFFAOYSA-N 278.117 -0.878 50 20 CBGD O=C(/C=C\CN1CCOCC1)NNC(=O)c1ccccn1 864390618 VXNPBXPPVWKWBW-HYXAFXHYSA-N 290.323 -0.269 50 20 CBGD COC[C@@]1(C(=O)O)CCN(S(=O)(=O)CCl)C1 864500422 PMVYZFABFJMALH-MRVPVSSYSA-N 271.722 -0.064 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccnn1CC(C)C 869903522 VLHBQDQBAAHWBC-UHFFFAOYSA-N 298.343 -0.037 50 20 CBGD COC(=O)N(C)NC(=O)NCCCN1CCOCC1 874980619 AWBHJSYQCZBTBC-UHFFFAOYSA-N 274.321 -0.379 50 20 CBGD Cc1cc(CCC(=O)NNC(=O)CN(C)C)no1 894134738 MXMZWAPGXQZZEI-UHFFFAOYSA-N 254.290 -0.375 50 20 CBGD Cc1cc(NNC(=O)[C@@H]2CSCC(=O)N2)ncn1 894964974 BWZUVEKBDOVOQT-ZETCQYMHSA-N 267.314 -0.540 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cccc(C#CCO)c1 910182955 KISMCZXVZIZTHV-LLVKDONJSA-N 262.309 -0.012 50 20 CBGD COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NN 916040067 PJAPRFYQLURAND-UHFFFAOYSA-N 268.664 -0.072 50 20 CBGD CC(C)CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 920855943 QKLZCTDOUQCHCK-MRVPVSSYSA-N 256.306 -0.359 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCCn1nc(C)cc1C 1116186531 DASHBOQHQJDEEZ-UHFFFAOYSA-N 297.315 -0.607 50 20 CBGD N=C1NC(=O)[C@@H](CC(=O)NNc2cccnn2)S1 1116568926 ZRFRFBOFLISGEE-RXMQYKEDSA-N 266.286 -0.524 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)[C@@H]1CCOC1 1119083581 HUFDMUFFUZLJOF-YIZRAAEISA-N 284.316 -0.980 50 20 CBGD CC(C)C(=O)NNC(=O)CCCS(C)(=O)=O 1251717032 QEMCDKNCMOSSNK-UHFFFAOYSA-N 250.320 -0.385 50 20 CBGD Nc1nccnc1C(=O)NNC(=O)NCC1CC1 1251870432 RIGLDBXIUWEOIV-UHFFFAOYSA-N 250.262 -0.587 50 20 CBGD O=C(NCC1CC1)NNS(=O)(=O)c1cnc[nH]1 1321966398 CDWAJTJDXGMBOH-UHFFFAOYSA-N 259.291 -0.688 50 20 CBGD Cn1c2c(ccc1=O)C(=NNC(=O)C(N)=O)CCC2 1324459075 CLBDSPINYKWCBP-UHFFFAOYSA-N 262.269 -0.973 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CCC[C@H]1C 1325120874 XHSZMFNXBINBIG-HTQZYQBOSA-N 257.290 -0.074 50 20 CBGD COC(=O)c1cccc(NC(=O)NNC(=O)CCO)n1 1326724514 BKTJPBJMTIEVHA-UHFFFAOYSA-N 282.256 -0.597 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@H]1CCc2c(nnn2C)C1 1326837152 NYVSBYTWHRQULN-QMMMGPOBSA-N 280.332 -0.341 50 20 CBGD CC(=O)NNC(=O)c1nnn(Cc2ccncc2)c1C 1327843224 OLJLCOQFMVUBGB-UHFFFAOYSA-N 274.284 -0.189 50 20 CBGD CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NNC(=O)CO 1329266305 AVWMNIAJHIUDNQ-OYNCUSHFSA-N 299.327 -0.619 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@H](C)NC(N)=O)cc1 1338328608 ZDEPFKUXDUXTEB-ZETCQYMHSA-N 280.284 -0.487 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@@H]1CN2CCN1C[C@@H]2C 1347519009 ZHAQHBJBQAVLBV-UWVGGRQHSA-N 269.349 -0.887 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCC(F)(F)F)n(C)c1=O 1354014382 DSCIKDQDSGFHJB-UHFFFAOYSA-N 295.221 -0.770 50 20 CBGD COc1ccnc(NNC(=O)[C@]2(C)C[C@@H](O)CN2)n1 1574052313 LKSISGLGNVFIKZ-HQJQHLMTSA-N 267.289 -0.959 50 20 CBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=O)CCc1ccco1 1593926432 IKKYKJYWJIJSAL-GFCCVEGCSA-N 284.268 -0.151 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)C1(C(=O)O)CC=CC1 1594705175 GWSNRLGDOQEJDT-UHFFFAOYSA-N 278.268 -0.479 50 20 CBGD O=C(O)[C@H](C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)C1CC1 1594778845 BLAVEPYCMVYZGD-KYXWUPHJSA-N 282.296 -0.188 50 20 CBGD O=C(O)c1cccc(C(=O)NNC(=O)c2cnsn2)n1 1602433221 JWJKTJHAAASHIU-UHFFFAOYSA-N 293.264 -0.294 50 20 CBGD CN(C)c1cccnc1CNC(=O)NNC(=O)C(=O)O 1610106920 VKHIXRBDINBHIK-UHFFFAOYSA-N 281.272 -0.937 50 20 CBGD C[C@]1(O)CCCN(CC(=O)NNC(=O)C2CC2)C1 124796442 KGHZKNKVMQFVQO-LBPRGKRZSA-N 255.318 -0.609 50 20 CBGD O=S(=O)(CBr)NC[C@@H]1COCCO1 127342183 ZZHJQKUTIQZDKD-ZCFIWIBFSA-N 274.136 -0.326 50 20 CBGD CN(NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(N)=O 181062552 QTNPOGAWVSXEHO-MRVPVSSYSA-N 280.284 -0.330 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)n1 289472811 HOGJYPKBNFJORY-ATZCPNFKSA-N 294.311 -0.020 50 20 CBGD COC(=O)C[C@@H](C)CC(=O)NNC(=O)CN(C)C 289904110 XRCZGWXZDOWKJM-QMMMGPOBSA-N 259.306 -0.715 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc3n(n2)CCO3)O1 294246835 NTFGBAYLHFNQGI-CBAPKCEASA-N 280.284 -0.396 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H]1COCCN1CC(F)(F)F 367514100 PRLUUVMDHSHQSL-ZETCQYMHSA-N 299.249 -0.021 50 20 CBGD CCOC(=O)NCC(=O)NNc1ccnc(N(C)C)n1 491477681 VMAGSYQQNRYLKG-UHFFFAOYSA-N 282.304 -0.268 50 20 CBGD COC(=O)NNC(=O)CS(=O)(=O)C1CCCC1 495366423 BTPPOIUAEBAEBH-UHFFFAOYSA-N 264.303 -0.269 50 20 CBGD CCN(CC)C(=O)CCC(=O)Nc1cccc(B(O)O)c1 584911918 IWUMQQXJQYMHHN-UHFFFAOYSA-N 292.144 -0.047 50 20 CBGD C=CCCOCCNC(=O)c1ccc(B(O)O)c(F)c1 584967572 WXLMTUBOWHGELU-UHFFFAOYSA-N 281.092 -0.172 50 20 CBGD C[C@@H](CCCCO)NC(=O)c1ccc(B(O)O)cc1 584994610 BKBSKFHEIDUPLT-JTQLQIEISA-N 265.118 -0.353 50 20 CBGD CCN1C[C@@H](C)N(C(=O)c2cccc(B(O)O)c2)[C@H](C)C1 584998960 UDATTYPFOUFJSG-VXGBXAGGSA-N 290.172 -0.079 50 20 CBGD COC1(CNCc2ccc(B(O)O)o2)CCOCC1 585029356 FQESXUZTSZBBQY-UHFFFAOYSA-N 269.106 -0.755 50 20 CBGD CC[C@@](C)(CO)NCc1ccc(B(O)O)cc1F 585032095 BBWXWGAZBZTQLV-LBPRGKRZSA-N 255.098 -0.244 50 20 CBGD COc1ccccc1N1C[C@H](C(=O)NCB(O)O)CC1=O 585058358 DIHCQKHZFOQWSF-SECBINFHSA-N 292.100 -0.824 50 20 CBGD C[C@@H]1COCCN1CC(=O)NNC(=O)C(C)(C)C 744386980 KOINPNYXERNAEE-SECBINFHSA-N 257.334 -0.099 50 20 CBGD C[C@]1(CO)CCCN1CC(=O)NNC(=O)C1CC1 759893625 OCQVDFWYHYBQDQ-GFCCVEGCSA-N 255.318 -0.609 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc2[nH]ccc2c1 764303474 LNDXZAJQPQEBCP-UHFFFAOYSA-N 290.279 -0.100 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC(=O)N(C)C[C@@H]1C 782579510 GOWUIAPGSTVXQE-WDEREUQCSA-N 298.387 -0.269 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCC[C@H](C(N)=O)C1 786918545 OTTYMFPDAKOJRX-IUCAKERBSA-N 293.327 -0.229 50 20 CBGD COC[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C(N)=O 787476452 SFNOTKVTYPUZHK-JXPAYYINSA-N 289.291 -0.084 50 20 CBGD C[C@@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)C(C)(C)O 787946331 RFGIZHQRGYRHGU-NXEZZACHSA-N 288.344 -0.121 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@](C)(C#N)CC(=O)O)n[nH]1 820963713 NKEGWNKVOWIABZ-NSHDSACASA-N 279.256 -0.516 50 20 CBGD O=C(CN1CCOC1=O)NNc1ncc(F)cn1 821379301 YFWSRXVAOFYFKF-UHFFFAOYSA-N 255.209 -0.489 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1nn(C)c(=O)c2ccccc12 823992797 BKDUWJSEAJJRHB-SECBINFHSA-N 290.323 -0.109 50 20 CBGD CN1CCN(S(=O)(=O)CBr)[C@H](CN)C1 850583708 GFFJOGIENUSNAB-SSDOTTSWSA-N 286.195 -0.757 50 20 CBGD COC(=O)N(C)NC(=O)c1oc(S(N)(=O)=O)cc1C 854409683 KQUXHJBSXBJILS-UHFFFAOYSA-N 291.285 -0.422 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CCc2cncn2C1 854920455 CMTWRQKTNKFPGX-QMMMGPOBSA-N 267.358 -0.087 50 20 CBGD CCN1C[C@@H](C(=O)NNC(=O)c2cccc(F)n2)CC1=O 856422329 SQAMJBKQIHLOCV-QMMMGPOBSA-N 294.286 -0.150 50 20 CBGD COc1nccnc1NNC(=O)c1cnc2[nH]nnc2c1 857540016 PLUGWWXAXZFEHM-UHFFFAOYSA-N 286.255 -0.092 50 20 CBGD Cc1ccc(O)c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862451416 MPGZVWPRWWLJIK-VIFPVBQESA-N 277.280 -0.260 50 20 CBGD COCCCNC(=O)NNC(=O)C1(F)CCOCC1 865016363 FQFFQRBIKXFJIZ-UHFFFAOYSA-N 277.296 -0.128 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@@H]1CCCNC1=O)C1CC1 869218996 PQRATHHHBAGUEG-VXNVDRBHSA-N 284.385 -0.194 50 20 CBGD COCC1(S(=O)(=O)NNC(=O)c2ccccn2)CC1 882658520 STGQGURFNYKHOP-UHFFFAOYSA-N 285.325 -0.175 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 910169882 GXYQKDAMFITFMW-YUMQZZPRSA-N 297.277 -0.259 50 20 CBGD COC[C@H](C)[C@@H](C)C(=O)NNC(=O)CN1CCCC1=O 913732561 ATGHHRYABFGOIP-VHSXEESVSA-N 285.344 -0.325 50 20 CBGD Cc1ncc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cn1 1116583931 YUIJKEXVLOLDFS-UHFFFAOYSA-N 279.300 -0.083 50 20 CBGD CN(C)CC(=O)NNC(=O)CCc1cncn1C 1116960080 KXULXYJOXFZGDA-UHFFFAOYSA-N 253.306 -0.938 50 20 CBGD CN1C(=O)CCC[C@H]1C(=O)NNc1nccn(C)c1=O 1120063420 BBBJCVSCOZFNFZ-QMMMGPOBSA-N 279.300 -0.766 50 20 CBGD CN1C[C@H](C(=O)NNc2nncc(N)c2Cl)CC1=O 1253123134 CAKREAQBTCPYRO-RXMQYKEDSA-N 284.707 -0.366 50 20 CBGD COc1cccc(C(=O)NNC(=O)C(=O)NC(C)C)n1 1319065947 DTZUUYBZENRLOE-UHFFFAOYSA-N 280.284 -0.624 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1nc(C(C)(C)C)ns1 1320348890 HPXGXEDTTKQFEC-UHFFFAOYSA-N 285.329 -0.059 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)NC2CC2)ccn1 1322375240 CZYXUSGFVABZNU-UHFFFAOYSA-N 278.268 -0.025 50 20 CBGD Cc1nnc(COCC(=O)NNC(=O)N(C)C)s1 1322427633 LPTFVUZVXIOHRK-UHFFFAOYSA-N 273.318 -0.334 50 20 CBGD CC(=O)C1(C(=O)NNC(=O)C(=O)Nc2ccccn2)CC1 1324392838 XMRANTPZOPEOLA-UHFFFAOYSA-N 290.279 -0.463 50 20 CBGD CCCONC(=O)NNC(=O)C(=O)N1CCCC1 1349098102 GHGNTTUSNGITOA-UHFFFAOYSA-N 258.278 -0.719 50 20 CBGD CO[C@H]1CN[C@@H](C(=O)NNc2ncccc2[N+](=O)[O-])C1 1574001932 PVTBDSFOKICEFT-HTQZYQBOSA-N 281.272 -0.190 50 20 CBGD CN(CCOCCN)S(=O)(=O)CCCCl 1578477138 HYGCCMKVQVWYQQ-UHFFFAOYSA-N 258.771 -0.148 50 20 CBGD NC[C@H](O)C(=O)NNC(=O)CCc1ccccc1 1580329047 YJRJPUAIWNMHRC-JTQLQIEISA-N 251.286 -0.914 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccsc1-c1nn[nH]n1 1590000297 KFRIDMJEQQKGCZ-ZCFIWIBFSA-N 282.329 -0.114 50 20 CBGD COC[C@H](C)NC(=S)NNC(=O)Cc1cc(C)n[nH]1 17514260 IREXJCZDQYWUKW-QMMMGPOBSA-N 285.373 -0.209 50 20 CBGD CCCNC(=O)CNC(=O)NNc1ccc(C)nn1 106255958 SJVWWIZLZNOPQQ-UHFFFAOYSA-N 266.305 -0.063 50 20 CBGD CN1CCO[C@@H](C(=O)NNc2ncnc3nc[nH]c23)C1 125063175 FXXUYHKSQRMMOS-SSDOTTSWSA-N 277.288 -0.873 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1ccc(F)cn1 184220088 JHTWUBRWLHELLZ-UHFFFAOYSA-N 268.248 -0.093 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)c2cccn2C)CC1=O 192751183 MTAXDVCZBNYJAN-SECBINFHSA-N 278.312 -0.346 50 20 CBGD COC[C@H](CNC(=O)NNc1nccc(OC)n1)OC 272908991 JHVYZHRHPBQABA-QMMMGPOBSA-N 285.304 -0.227 50 20 CBGD COc1cc(C(=O)NNC(=O)c2cccn2C)nn1C 274633319 WVHUSLJYLNAPIC-UHFFFAOYSA-N 277.284 -0.158 50 20 CBGD C[C@@H]1CCCN(C(=O)C(=O)NNC(=O)NC2CC2)C1 277785716 VSDRJERWSYZGAW-MRVPVSSYSA-N 268.317 -0.262 50 20 CBGD CC(C)(O)C(=O)NNC(=O)C1SCCS1 277868836 CLZZSPUHVTXNLW-UHFFFAOYSA-N 250.345 -0.289 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cnsn2)CC1 278508016 APSDDMYOCJDDGI-UHFFFAOYSA-N 270.318 -0.860 50 20 CBGD CCOC(=O)NCC(=O)NNC(=S)NCCSC 281383598 YNTBZPQJWMMFHQ-UHFFFAOYSA-N 294.402 -0.409 50 20 CBGD Cc1ccnc(NNC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)c1 287712271 KXBBXBNMLCHHSS-IUCAKERBSA-N 264.285 -0.134 50 20 CBGD Cc1nnnn1-c1cccc(NC(=O)NNC(=O)CO)c1 368316254 OPOFMYDSZLHADJ-UHFFFAOYSA-N 291.271 -0.884 50 20 CBGD CN(CCC#N)C(=O)c1ccc(B(O)O)c(F)c1 584934136 PJCANPWGGOKAPV-UHFFFAOYSA-N 250.038 -0.509 50 20 CBGD NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(B(O)O)cc1 584961329 QPDRWOUIBQUSHP-RYUDHWBXSA-N 290.128 -0.860 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC(CO)CC1 584963703 CEBOTRHACRNXRN-UHFFFAOYSA-N 263.102 -0.789 50 20 CBGD CC[C@@H](C)[C@](C)(O)CNCc1ccc(B(O)O)o1 585024100 QIEAPWZGWFXJRA-BXKDBHETSA-N 255.123 -0.154 50 20 CBGD OB(O)c1ccc(CNCCOC[C@H]2CCCO2)c(F)c1 585029784 UOLXUCCKFSAYDM-CYBMUJFWSA-N 297.135 -0.209 50 20 CBGD CNC(=O)NN=C1CCN(CCN2CCOCC2)CC1 731558507 WESWLPWZTGZXHF-UHFFFAOYSA-N 283.376 -0.301 50 20 CBGD CC(C)=C(C)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 751361473 WSSWHJSKTQBDOY-VIFPVBQESA-N 289.357 -0.140 50 20 CBGD C[S@@](=O)c1ccc(NC(=O)NNC(=O)CO)cc1F 756768950 BKSPSLUGSOXQIW-LJQANCHMSA-N 289.288 -0.292 50 20 CBGD COc1ccc(C(=O)NNC(=O)c2cc(C)[nH]n2)nn1 765584102 XIWMRUQFBKRAAD-UHFFFAOYSA-N 276.256 -0.408 50 20 CBGD CCNC(=O)N(C)NC(=O)c1c(C)c(C)nn(C)c1=O 768410329 RHIIWJASIDIWRL-UHFFFAOYSA-N 281.316 -0.297 50 20 CBGD O=C(NNC(=O)c1c(O)cccc1F)C(=O)NC1CC1 771930416 SXGFLKRFTZUUDJ-UHFFFAOYSA-N 281.243 -0.429 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F 776634663 CHHVZRPERQFGHB-YFKPBYRVSA-N 282.222 -0.500 50 20 CBGD CC(=O)Nc1cc(C(=O)NNC(=O)CO)ccc1C 777782740 LQQKKPQTNJPEBW-UHFFFAOYSA-N 265.269 -0.293 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCC[C@@H]1CCO 779710600 IUTSTWPRJVMALM-NXEZZACHSA-N 273.333 -0.096 50 20 CBGD COC(=O)CNC(=O)NN=Cc1c(Cl)cnn1C 780243307 PLEJDLITWKRURQ-UHFFFAOYSA-N 273.680 -0.120 50 20 CBGD COc1cccc(NNC(=O)CCNS(C)(=O)=O)n1 780771865 FXKRPEODTZNTPR-UHFFFAOYSA-N 288.329 -0.527 50 20 CBGD COCC[C@H](NS(=O)(=O)CCCCCl)C(N)=O 780832850 OSUCDGGTGRCYSF-QMMMGPOBSA-N 286.781 -0.185 50 20 CBGD CCOC(=O)[C@@H](CO)NS(=O)(=O)CCCCCl 780832979 UVROSBHEOUSWDQ-MRVPVSSYSA-N 287.765 -0.151 50 20 CBGD CN(C)CC(=O)NN=Cc1cn(Cc2cccnc2)nn1 783839736 QNVLTXDTHZMXAM-UHFFFAOYSA-N 287.327 -0.267 50 20 CBGD CCNC(=O)CNC(=O)NNc1cccc(OC)n1 787750513 BMPCSLRZIVAQGV-UHFFFAOYSA-N 267.289 -0.148 50 20 CBGD COC(=O)c1ccc(NNC(=O)C(=O)NCC2CC2)nc1 788521127 MONVQROMSKBYTD-UHFFFAOYSA-N 292.295 -0.163 50 20 CBGD CN(C)N(C(=O)[C@H](O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 792849723 LEQUMZVVSGVCRW-ZJUUUORDSA-N 292.401 -0.114 50 20 CBGD Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=O)N1CCOCC1 804023312 FPXTUKMNJCRBTJ-UHFFFAOYSA-N 297.271 -0.380 50 20 CBGD CN1CCN(CC(=O)NNc2ncccc2F)CC1=O 804212882 CNEHKVGRCLBISR-UHFFFAOYSA-N 281.291 -0.562 50 20 CBGD COC(=O)COCC(=O)NNc1nccnc1OC 807252944 WHAGSCABBLLVNA-UHFFFAOYSA-N 270.245 -0.882 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cccc(CO)c1 813529891 IYCUDNCWSOFRIZ-UHFFFAOYSA-N 252.270 -0.289 50 20 CBGD CC1CCN(C(=O)C(=O)NNc2nc[nH]n2)CC1 816632349 DXPGSTQQNKWXMR-UHFFFAOYSA-N 252.278 -0.494 50 20 CBGD Cc1cc(C)n(CC(=O)NN(C)C[C@@H](C)O)c(=O)n1 821218255 WHLTUELPCQAUDD-SNVBAGLBSA-N 268.317 -0.796 50 20 CBGD O=C(NN=Cc1ccc(-c2nn[nH]n2)o1)[C@H]1COCCO1 823273830 ZXAARPMACNPHAH-SECBINFHSA-N 292.255 -0.675 50 20 CBGD CCc1nocc1C(=O)NNC(=O)C(=O)N1CCCC1 824876589 BLSBCOBLSPLAPA-UHFFFAOYSA-N 280.284 -0.380 50 20 CBGD C[C@H]1CN(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CCO1 827268440 OQGQELRXZACZHL-AEJSXWLSSA-N 271.317 -0.127 50 20 CBGD COCCCOCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843663973 ZZODRKMOLSBDML-VHSXEESVSA-N 274.317 -0.388 50 20 CBGD O=C(NNc1ncccn1)[C@@H]1CCc2nnnn2CC1 845164501 ZTHUSWOWFDAJRJ-MRVPVSSYSA-N 274.288 -0.441 50 20 CBGD CC(C)NC(=O)CCCC(=O)NNC(=O)c1cc[nH]n1 855358801 WSDBDZQKGQTOSR-UHFFFAOYSA-N 281.316 -0.134 50 20 CBGD COC[C@H](OC)C(=O)NNc1ccnc(N(C)C)n1 857132425 FUWVWJMUIKGGGP-QMMMGPOBSA-N 269.305 -0.353 50 20 CBGD Cc1nc(CC(=O)NNc2cc(Cl)nc(N)n2)n[nH]1 857486365 JIHJOZJONCWARL-UHFFFAOYSA-N 282.695 -0.175 50 20 CBGD CO[C@]1(C)CCCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858699058 IDIWULWOVVWCPT-NOZJJQNGSA-N 298.343 -0.493 50 20 CBGD COc1cc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccn1 861105915 FPIJXIGFBCCPLK-QMMMGPOBSA-N 293.283 -0.479 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1O 862451163 JOGDEOAVRMVRAN-VIFPVBQESA-N 277.280 -0.260 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)C2SCCS2)N1 862458133 YDELEVFBUYOURL-RXMQYKEDSA-N 275.355 -0.782 50 20 CBGD O=C(/C=C\[C@@H]1CCOC1)NNC(=O)c1cn[nH]c1 862470096 ZQOYSMJFMZMIPJ-SLYZXXNYSA-N 250.258 -0.237 50 20 CBGD C[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)C(C)(F)F 863466029 OIXSVCIUQASBAW-YFKPBYRVSA-N 272.273 -0.530 50 20 CBGD COC[C@@H](C)[C@H](C)C(=O)NNC(=O)CS(C)(=O)=O 863466176 NPBHHZLWBGGWHI-SFYZADRCSA-N 280.346 -0.903 50 20 CBGD COCCOCC(=O)NNC(=O)CC1(O)CCC1 869905586 PKBKOAIJIWMQDR-UHFFFAOYSA-N 260.290 -0.898 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21 906889819 VLCHXCNTLIXGAY-JIMOISOXSA-N 273.292 -0.003 50 20 CBGD COCCS(=O)(=O)CC(=O)NNC(=O)C(C)(C)C 917180742 UCPINXDJCKCJAI-UHFFFAOYSA-N 280.346 -0.759 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)CNC(=O)C1CC1 918690081 IZTYDEXGBVQAPC-UHFFFAOYSA-N 272.374 -0.194 50 20 CBGD CC(C)NC(=S)NNC(=O)c1cnn(C)c1N 1116595912 DDUFNTYAIYEBCQ-UHFFFAOYSA-N 256.335 -0.480 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1ccn(CCOC)n1 1116629462 NNHIUBLLAJAINS-UHFFFAOYSA-N 299.287 -0.755 50 20 CBGD COc1coc(C(=O)NNC(=O)NC2CC2)cc1=O 1116913629 JCYNNRFXICAURL-UHFFFAOYSA-N 267.241 -0.245 50 20 CBGD CC[C@@H](CO)C(=O)NNC(=O)C(=O)Nc1ccccn1 1119530415 ZNLABHPOQDFRPO-QMMMGPOBSA-N 280.284 -0.814 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CC(c2cnn(C)c2)=NO1 1120751707 YBEZARKJJXHQHE-LLVKDONJSA-N 281.316 -0.742 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCN2CCC[C@@H]2C1 1252437873 AXQLTBAJFZZHGK-DTWKUNHWSA-N 284.316 -0.883 50 20 CBGD O=C(NNC(=O)c1ccc(O)nn1)c1ccncc1 1317705278 ADURDARTUPBCIK-UHFFFAOYSA-N 259.225 -0.348 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCOc1ccccc1F 1318883344 XBTDECXKPYINJQ-UHFFFAOYSA-N 299.258 -0.292 50 20 CBGD Cc1nc(N)sc1C(=O)NN=Cc1cnnn1C 1318977255 HXSRKROSZRATNG-UHFFFAOYSA-N 265.302 -0.074 50 20 CBGD CC(=O)NNS(=O)(=O)c1cccc(C(=O)N(C)C)c1 1319161330 NWUUMYMXDJVBPI-UHFFFAOYSA-N 285.325 -0.282 50 20 CBGD NC(=O)N1CCC[C@H]1C(=O)NNc1nncc(N)c1Cl 1319776705 JQGWTPARLFAVFM-LURJTMIESA-N 299.722 -0.302 50 20 CBGD CC[C@@H](C)n1nc(NC(=O)C(=O)NNC(=O)CO)cc1C 1320238325 YXHYDAKAUZZWIK-SSDOTTSWSA-N 297.315 -0.759 50 20 CBGD COc1ccc(NNC(=O)c2cn(C)c(=O)nc2O)nc1 1320834418 VBUFBWFJFQKKLK-UHFFFAOYSA-N 291.267 -0.354 50 20 CBGD Cn1ncc(C(=O)NNc2ncncc2F)c1N 1324305250 UJCJZROWYIAIRV-UHFFFAOYSA-N 251.225 -0.312 50 20 CBGD COC(=O)[C@@H]1CCC[C@@H]1NCC(=O)NNC(=O)C1CC1 1326574218 ZCYUIRCSXMCDNP-ZJUUUORDSA-N 283.328 -0.525 50 20 CBGD COCC[C@@H](NS(=O)(=O)CCCCl)C(N)=O 1336924193 TURMTOJCMAMIBI-SSDOTTSWSA-N 272.754 -0.575 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H]2CC=CCC2)N1 1349343851 OCSOHRTXPLLDNP-BDAKNGLRSA-N 266.301 -0.296 50 20 CBGD O=C1CCCN1C[C@@H](O)CNS(=O)(=O)CCl 1350011781 TZSAZWQOUXOXQS-ZETCQYMHSA-N 270.738 -0.915 50 20 CBGD C[C@@H]1[C@@H](C(=O)NNC(=O)N2CCOCC2)C1(F)F 1351092039 SRAPRXFFCVIQIY-RQJHMYQMSA-N 263.244 -0.039 50 20 CBGD COc1cccc(NNC(=O)N[C@H]2CC(=O)N(C)C2)n1 1514785681 BCBQJJAAAAFXPO-QMMMGPOBSA-N 279.300 -0.053 50 20 CBGD CC(C)(CN)CC(=O)NNC(=O)Cc1cc[nH]n1 1575314919 DEXZPNMRBRDJBG-UHFFFAOYSA-N 253.306 -0.525 50 20 CBGD O=C(NNC(=O)[C@H]1CCCNC1)c1n[nH]cc1F 1580733210 PRFIEIJVOVUOEG-LURJTMIESA-N 255.253 -0.691 50 20 CBGD N#Cc1ccc(NNC(=O)COCC(=O)O)nc1 1594623593 CFNNRVWPHKRXQE-UHFFFAOYSA-N 250.214 -0.502 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1 1595760273 YJRFIJDEVOAWSH-IWSPIJDZSA-N 287.316 -0.005 50 20 CBGD O=C(O)CC1(NC(=O)c2cc(B(O)O)ccc2F)CC1 1601930387 WLPSBZCOZJBEKI-UHFFFAOYSA-N 281.048 -0.757 50 20 CBGD CSCCNC(=S)NNC(=O)CCC(=O)O 1611089254 UOJFSLDONZSAFF-UHFFFAOYSA-N 265.360 -0.291 50 20 CBGD C#CC(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841353685 KBGQRHZPWWRJFU-VIFPVBQESA-N 270.716 -0.577 50 20 CBGD O=C(CCCn1cncn1)NNC(=O)c1ccccn1 48608031 MJXCZGJZRBRRFX-UHFFFAOYSA-N 274.284 -0.086 50 20 CBGD COc1cccc(NNC(=O)[C@@H]2CN(C)CCO2)n1 180694976 UTJBQDRWMCBGPZ-VIFPVBQESA-N 266.301 -0.136 50 20 CBGD O=C(CO)NNC(=O)CCOCc1ccccc1 180962926 GSKMNMNTYHEFSA-UHFFFAOYSA-N 252.270 -0.267 50 20 CBGD CCCCn1cc(C(=O)NNC(=O)CO)c(C)n1 184489345 VRYGCULXPWMRBF-UHFFFAOYSA-N 254.290 -0.255 50 20 CBGD CS[C@@H](C)CC(=O)NNC(=O)C(=O)N1CCCC1 270221023 NCQZZXNPYAYBEF-QMMMGPOBSA-N 273.358 -0.102 50 20 CBGD CC1(C(=O)NNC(=O)CNC(=O)c2ccco2)COC1 272727523 ANHRWSFYNAGBLC-UHFFFAOYSA-N 281.268 -0.807 50 20 CBGD CNC(=O)CCCNC(=O)NNc1nc2ccccn2n1 276593778 QGOTZSRXVCHEPM-UHFFFAOYSA-N 291.315 -0.118 50 20 CBGD CO/N=C/C(=O)NNC(=O)CNc1ccccc1OC 289994620 KQPRSLSJYKKSGP-RIYZIHGNSA-N 280.284 -0.113 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCO1)c1cccnc1O 294015563 MZPDWEJPFOJEEQ-QMMMGPOBSA-N 251.242 -0.273 50 20 CBGD O=C(NCCCN1CCCCC1)c1cccc(B(O)O)c1 584925482 HTJYAKFDQJKGLG-UHFFFAOYSA-N 290.172 -0.028 50 20 CBGD CCN1CC[C@@H](CNC(=O)c2ccc(B(O)O)c(F)c2)C1 584932978 CRZZAIRVEFSMGZ-JTQLQIEISA-N 294.135 -0.423 50 20 CBGD N#C[C@]1(NC(=O)c2ccc(B(O)O)cc2)CCSC1 584936984 ODZQRDMRTLTRBF-GFCCVEGCSA-N 276.126 -0.505 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)c2cc(B(O)O)ccc2F)CCO1 584968838 FNCWMJBVFBFKLI-SCZZXKLOSA-N 281.092 -0.197 50 20 CBGD CC[C@](C)(CCO)NC(=O)c1cc(B(O)O)ccc1F 584971675 XIKPAHOWEXPSLO-CYBMUJFWSA-N 283.108 -0.214 50 20 CBGD C[C@H](O)CCCNC(=O)c1cccc(B(O)O)c1 584981930 CONOWUDFMYAVIP-VIFPVBQESA-N 251.091 -0.743 50 20 CBGD O=C(N[C@H]1CCC[C@H]1CO)c1cc(B(O)O)ccc1F 585000543 RFAZPIHFAMGKEW-UFBFGSQYSA-N 281.092 -0.604 50 20 CBGD CC(C)n1cnnc1CCNCc1cccc(B(O)O)c1 585024884 GGVBWVWFGZQGDK-UHFFFAOYSA-N 288.160 -0.129 50 20 CBGD CCO[C@H](CCN(C)C)CNCc1ccc(B(O)O)cc1 585034966 WCXUPGZIEHBLEH-OAHLLOKOSA-N 294.204 -0.187 50 20 CBGD OC[C@@H](NCc1ccccc1B(O)O)[C@@H]1CCCOC1 585046148 NZTUMKUGIXATIW-TZMCWYRMSA-N 279.145 -0.757 50 20 CBGD CCCN1C[C@@H](CNCc2ccc(B(O)O)cc2)CC1=O 585047904 HTGYRXRTLYYSBI-CYBMUJFWSA-N 290.172 -0.286 50 20 CBGD Cn1ccc(S(=O)(=O)NNC(=O)NC2CCCC2)n1 727362983 XDYISWWGFUNGKV-UHFFFAOYSA-N 287.345 -0.145 50 20 CBGD C[C@H](C(=O)NNC(=O)c1ccc[nH]1)N1C(=O)CCC1=O 727725786 BQZCSZMHAANEEZ-SSDOTTSWSA-N 278.268 -0.687 50 20 CBGD CC(=O)NCCCNC(=O)NNC(=O)C1CCC1 732237477 DGBBSLMHIGJWRP-UHFFFAOYSA-N 256.306 -0.357 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)C[C@@H]1CCOC1 749846979 HSAWFNHOKUNUBU-UWVGGRQHSA-N 257.334 -0.099 50 20 CBGD CCNC(=O)NNC(=O)[C@H](C(C)C)N1CCCC1=O 751372980 XFKLNZYGAMBJNL-JTQLQIEISA-N 270.333 -0.016 50 20 CBGD CC1(CNC(=O)NNC(=O)C(=O)NC2CC2)CC1 753018535 DJGGJVNYWXNGPL-UHFFFAOYSA-N 254.290 -0.605 50 20 CBGD CCC1(C(=O)NNC(=O)C(=O)NC(C)C)COC1 755063208 KFQXBOOVMYQHGC-UHFFFAOYSA-N 257.290 -0.915 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCc1ccncn1 755630072 GCDBZGLXJUEYHV-SECBINFHSA-N 294.311 -0.102 50 20 CBGD Cn1cccc1C(=O)NNC(=O)N=c1nc[nH]n1C 757760846 JKRKOHGRRYXRCP-UHFFFAOYSA-N 263.261 -0.958 50 20 CBGD O=C(CN1CCCS1(=O)=O)NNc1ncc(F)cn1 760912503 ZKYMRGZBZSPJIZ-UHFFFAOYSA-N 289.292 -0.906 50 20 CBGD CC(C)NC(=O)CN(C)CC(=O)NNc1ncc(F)cn1 760920801 MGVWQAFIDXXXEQ-UHFFFAOYSA-N 298.322 -0.485 50 20 CBGD COc1nccnc1NNC(=O)c1c[nH]c(C(N)=O)c1 764481892 NINYRAZUJWGFDB-UHFFFAOYSA-N 276.256 -0.331 50 20 CBGD CC(C)C(=O)NNC(=O)NCC1(N2CCOCC2)CC1 764831515 RFDGBTLBSHDCIR-UHFFFAOYSA-N 284.360 -0.162 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1cnc2ccccc2n1 765990959 SOOGUNQPPMAUJS-UHFFFAOYSA-N 295.324 -0.378 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc(C(=O)O)c(F)c1 775247925 JFRLRYFCJMEADE-UHFFFAOYSA-N 276.245 -0.147 50 20 CBGD CC[C@@]1(O)CCN(CC(=O)NNC(=O)C2CC2)C1 778403782 BOHHBKWNOLMORP-GFCCVEGCSA-N 255.318 -0.609 50 20 CBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)CNC(=O)c2ccco2)CO1 784091043 ZCXZDFDZPPYDBJ-RKDXNWHRSA-N 295.295 -0.418 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)c1cccc(C)n1 794072799 QBBLLCLNFJHQTM-UHFFFAOYSA-N 264.285 -0.323 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCF 798059990 SWFBJMOQMUQQKE-UHFFFAOYSA-N 272.236 -0.691 50 20 CBGD CC(=O)NCCNC(=O)NNc1ncncc1F 814269114 PJBWQKAHYODXAK-UHFFFAOYSA-N 256.241 -0.622 50 20 CBGD COC(=O)C(C)(C)CC=NNC(=O)C(=O)NC1CC1 814778008 MIKXPVCPABVKBP-UHFFFAOYSA-N 269.301 -0.044 50 20 CBGD COCCN(C)NC(=O)C(C)(C)N1CCOCC1 819745217 UNRRKXXTJQSRCR-UHFFFAOYSA-N 259.350 -0.293 50 20 CBGD Cn1nncc1C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1 822714469 NRMHLWQRKGRCKE-UHFFFAOYSA-N 297.282 -0.241 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@H]1CCNC1=O 827006075 LXHFBRQCMKKCKG-VIFPVBQESA-N 277.280 -0.408 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC(=O)N[C@H]2CCCC[C@@H]21 828039839 ARINWIYOKHCVQN-QWRGUYRKSA-N 296.371 -0.467 50 20 CBGD CN(CCNC(=O)NNC(=O)[C@@H]1CCCCO1)C1CC1 836350382 WFHUURGSMSJAIS-NSHDSACASA-N 284.360 -0.020 50 20 CBGD Cc1cnc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cn1 843642585 XKCFJDFFNJBSHP-RKDXNWHRSA-N 264.285 -0.029 50 20 CBGD CO[C@H](C)CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 852393698 HTHQTZLVBQBAFO-HLTSFMKQSA-N 259.306 -0.223 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)c1ccccn1 854121686 IZLLSHYCCFXLNX-VIFPVBQESA-N 253.258 -0.496 50 20 CBGD Cc1ccc(NNC(=O)[C@H](CO)NC(N)=O)cc1F 856230070 HEGHWCPVORNTSH-VIFPVBQESA-N 270.264 -0.394 50 20 CBGD C[C@@H]1COCCN1CCNC(=O)NNC(=O)c1cn[nH]c1 858283755 QMIMNHNITHSFAN-SECBINFHSA-N 296.331 -0.926 50 20 CBGD C[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)C(C)(F)F 862462798 SNRWRFDRPXKHOC-NTSWFWBYSA-N 263.244 -0.296 50 20 CBGD O=C(CCCCc1cnn[nH]1)NNC(=O)c1cn[nH]c1 862471166 TVGFDHGCLPUKBQ-UHFFFAOYSA-N 277.288 -0.298 50 20 CBGD CCN1CCN(C(=O)c2cccc(B(O)O)c2)C[C@@H]1C 863878009 MKBJMYPDFAONTN-NSHDSACASA-N 276.145 -0.467 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@H]2COC[C@H]2C1 872315312 XZGKRDHJWAPHGO-DTORHVGOSA-N 279.076 -0.776 50 20 CBGD CN1CCC[C@@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)C1=O 875810016 RMPUAAOACXFACG-ZJUUUORDSA-N 298.343 -0.493 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1cc(C2CC2)nn1C 901873964 LVIVFCWCHZUYEW-UHFFFAOYSA-N 287.345 -0.238 50 20 CBGD C[C@@H]1[C@H](C(=O)NNC(=O)CN2CCCC2=O)CCN1C 913733311 DMQNAAACYJKIRI-NXEZZACHSA-N 282.344 -0.904 50 20 CBGD CCC/C=C/C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920745712 OJGPAPXEJNHFKI-XNPJLODASA-N 289.357 -0.140 50 20 CBGD C[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)c1cnn(C)c1 1116560589 RPOVEAKKGCCHLK-QMMMGPOBSA-N 276.300 -0.363 50 20 CBGD O=C(CCO)NNC(=O)Nc1cnn(CC(F)F)c1 1116617336 ZCTCMHLNMSHBQA-UHFFFAOYSA-N 277.231 -0.317 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ncc(C)s1 1252449363 ZIEVOYOJPYTDJX-UHFFFAOYSA-N 272.286 -0.545 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cnn2cccnc12 1320105963 APPCYBXZLILYTL-UHFFFAOYSA-N 285.267 -0.544 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cnn(C)c2)CCN1C 1322211909 YLNKALPQKOSUJQ-KOLCDFICSA-N 294.359 -0.153 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ncccn1 1333613639 GRBWGMCPIRDURG-ZETCQYMHSA-N 266.257 -0.421 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CNC1(CO)CCOCC1 1340796000 ZKYIOSNESDKKCW-UHFFFAOYSA-N 287.360 -0.689 50 20 CBGD CN(N=C1NS(=O)(=O)c2ccccc21)C(N)=O 1341815631 MTSAAUDRAOEBFH-UHFFFAOYSA-N 254.271 -0.349 50 20 CBGD C[C@@](O)(C(=O)NNC(=O)[C@H]1CCCCO1)C1CC1 1344405175 UXDZQJZUMFRTIH-SKDRFNHKSA-N 256.302 -0.136 50 20 CBGD COCCCNC(=O)NNC(=O)CCc1nccn1C 1520830046 FTKVRGKWQCTXRI-UHFFFAOYSA-N 283.332 -0.280 50 20 CBGD CC1(C)CCNCCN1C(=O)c1cc(B(O)O)ccc1F 1576442685 FNOYUPNSUXMRGS-UHFFFAOYSA-N 294.135 -0.280 50 20 CBGD CC[C@H](O)[C@H](C)C(=O)NNC(=O)[C@@H]1CCCNC1 1577181791 HILBELXCKQKVOJ-AEJSXWLSSA-N 257.334 -0.460 50 20 CBGD COc1ccc(COCC(=O)NNC(=O)CCN)cn1 1579218167 WSENFWIGFYGGDF-UHFFFAOYSA-N 282.300 -0.897 50 20 CBGD O=C(NNc1nc[nH]n1)C1=NOC2(CCNCC2)C1 1580742900 JDBJKXDJYAQRRO-UHFFFAOYSA-N 265.277 -0.854 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H](C(=O)O)C1=O 1589693710 YEKLWHYOJFBNPA-MRVPVSSYSA-N 299.327 -0.497 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccc(C(=O)O)nc1 1592762484 RRYSKMNWTFMDPV-ZETCQYMHSA-N 253.258 -0.263 50 20 CBGD CNC(=S)N(C)NC(=O)c1cccc(C(=O)O)n1 1598661682 JJFGYJVHSMGDBR-UHFFFAOYSA-N 268.298 -0.139 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)C23CC(C(=O)O)(C2)C3)O1 1599906886 RORIKXMLZRWEHH-QGAWUEONSA-N 282.296 -0.044 50 20 CBGD Cn1c(C=NNC(=O)C(=O)NC2CC2)ccc1C(=O)O 1600911350 FPVAPRBDCWZNJF-UHFFFAOYSA-N 278.268 -0.548 50 20 CBGD O=C(O)CC1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1601957128 NUPQITMAHHZIJB-UHFFFAOYSA-N 291.112 -0.307 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(C(=O)O)CC=CC1 1603480038 NDJXDIQCWPLZED-RKDXNWHRSA-N 282.296 -0.020 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cc(-c2nn[nH]n2)cs1 1603566477 MZVZPRKLUNSHGO-ZCFIWIBFSA-N 282.329 -0.114 50 20 CBGD O=C(NNC(=O)c1cccnn1)N[C@H]1C[C@@H](C(=O)O)C1 1605815465 LMYGRNNBNAEVHJ-KNVOCYPGSA-N 279.256 -0.716 50 20 CBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccs1 7958406 BJFKLJFQCFBQHI-SSDOTTSWSA-N 288.350 -0.056 50 20 CBGD O=C(O)CCC(=O)NNC(=O)CNC(=O)c1cccs1 36627518 WIDFXSCLJPSOSR-UHFFFAOYSA-N 299.308 -0.510 50 20 CBGD CNS(=O)(=O)c1ccc(CCC(=O)NNC(C)=O)cc1 47340106 LSOFLBWGRFLLRS-UHFFFAOYSA-N 299.352 -0.305 50 20 CBGD CNC(=O)NNC(=O)COc1cccc([N+](=O)[O-])c1 48950009 SZBVTBHUWQPNKA-UHFFFAOYSA-N 268.229 -0.066 50 20 CBGD CN(C)N(C(=O)COCC1CC1)[C@@H]1CCS(=O)(=O)C1 78797575 HITDYOFNLGFYRS-LLVKDONJSA-N 290.385 -0.095 50 20 CBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cc[nH]n2)C[C@@H](C)O1 111543501 JRUIIVOKUQWHOM-AOOOYVTPSA-N 295.343 -0.330 50 20 CBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1nc[nH]n1 273179732 FXUQYBXBJJBQMX-ZCFIWIBFSA-N 298.303 -0.521 50 20 CBGD O=C(NNC(=O)[C@@H]1CC[C@H](C(=O)O)O1)c1ccc(O)cc1 276119929 LMQTWHDOBPZMDH-VHSXEESVSA-N 294.263 -0.215 50 20 CBGD COC(=O)N[C@H](C(=O)NNC(=O)C(C)(C)O)C(C)C 276249476 LZLSJAZZSJPHQI-ZETCQYMHSA-N 275.305 -0.715 50 20 CBGD CC(C)N1C[C@H](C(=O)Nc2cccc(B(O)O)c2)CC1=O 405005503 RDHFSXPJSFHLEC-SNVBAGLBSA-N 290.128 -0.438 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 491127453 BEENUIBRKCVKOS-QROTZFDESA-N 287.341 -0.420 50 20 CBGD O=C(CO)NNC(=O)c1cccc(N2CCOC2=O)c1 496862057 GMOGHILBFSCYNV-UHFFFAOYSA-N 279.252 -0.604 50 20 CBGD C[C@H]1CCCN(CCNC(=O)c2ccc(B(O)O)cc2)C1 584928129 ARXKQZHMXWONGW-LBPRGKRZSA-N 290.172 -0.172 50 20 CBGD O=C(N[C@H]1CCN2CCCC[C@H]12)c1cccc(B(O)O)c1 584928209 BNBHGYASACDFRL-UONOGXRCSA-N 288.156 -0.277 50 20 CBGD CO[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584959440 CYPUPMDZEJORPT-SECBINFHSA-N 267.065 -0.634 50 20 CBGD CN(C)[C@H]1CCC[C@H](NC(=O)c2ccc(B(O)O)cc2)C1 584959860 GZKXWSJVCNQLAU-KBPBESRZSA-N 290.172 -0.031 50 20 CBGD CC1(O)CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584961966 CXNLMRLGFZYBPL-UHFFFAOYSA-N 263.102 -0.647 50 20 CBGD O=C(N[C@H]1CCCC[C@@H]1O)c1ccc(B(O)O)cc1 584966375 YNOSRCLZIXJUKJ-RYUDHWBXSA-N 263.102 -0.600 50 20 CBGD C[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1CO 584970780 UAXRFSKSEZOWNR-GXFFZTMASA-N 277.129 -0.401 50 20 CBGD CC1(CO)CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584973501 AGUBHFZHZHXKRZ-UHFFFAOYSA-N 277.129 -0.399 50 20 CBGD CN(C(=O)c1ccc(B(O)O)c(F)c1)C1CCC(O)CC1 584977394 PTOIACFOAQDAEZ-UHFFFAOYSA-N 295.119 -0.119 50 20 CBGD OB(O)c1ccc(CNC[C@@H]2COc3ccccc3O2)o1 585015059 NGMWHFYRAAYBLI-LLVKDONJSA-N 289.096 -0.111 50 20 CBGD CC(C)N(C)CCNCc1ccc(B(O)O)cc1F 585021026 OFMXPBBJPNVDPC-UHFFFAOYSA-N 268.141 -0.065 50 20 CBGD OCCOc1ccc(CNCc2ccc(B(O)O)o2)cc1 585021657 BQQUMIKPPFJNIR-UHFFFAOYSA-N 291.112 -0.380 50 20 CBGD OB(O)c1cccc(CN[C@@H]2CCc3n[nH]cc3C2)c1 585030273 QNLYOIXXSIBICN-CYBMUJFWSA-N 271.129 -0.263 50 20 CBGD C[C@@H](C[C@@H](C)O)NCc1ccc(B(O)O)cc1F 585034771 LUHDXEKOUDNDOH-DTWKUNHWSA-N 255.098 -0.246 50 20 CBGD C[C@H](Cc1cnn(C)c1)NCc1ccccc1B(O)O 585044301 FBBRAPPPTJORJB-LLVKDONJSA-N 273.145 -0.179 50 20 CBGD O=C(c1cccc(-n2ccnn2)c1)N1CC[C@@H](B(O)O)C1 585065642 JJCAGOWVBURNFS-LLVKDONJSA-N 286.100 -0.044 50 20 CBGD CCNC(=O)NNC(=O)C1(C(=O)NC2CC2)CC1 726161601 HYXOBNRTZJUYHC-UHFFFAOYSA-N 254.290 -0.605 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1ccccn1)N1C(=O)CCC1=O 727721368 FYXSGGHXXMQUDN-QMMMGPOBSA-N 290.279 -0.620 50 20 CBGD CS(=O)(=O)CCC(=O)NNC(=O)c1cccc(C#N)c1 728825323 UXJOXYRQGGTHFT-UHFFFAOYSA-N 295.320 -0.246 50 20 CBGD CN(C)CC(=O)NNC(=O)CSC[C@H]1CCCCO1 733359906 VECSALRMGGYRGP-SNVBAGLBSA-N 289.401 -0.002 50 20 CBGD CNC(=O)NNC(=O)CCC(=O)NC1CCCC1 755646677 YFPQMAQJBJAQCZ-UHFFFAOYSA-N 256.306 -0.214 50 20 CBGD CC(C)CN1C[C@@H](C(=O)NNC(=O)C(C)(C)O)CC1=O 768259331 LGGRWDJSSDBDAA-VIFPVBQESA-N 285.344 -0.591 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 770755769 IKDAPWHICZDZBR-SCZZXKLOSA-N 285.344 -0.136 50 20 CBGD CCC[C@@](C)(O)C(=O)NNC(=O)C(=O)Nc1ccccn1 771559953 OLJPPZBBXZLAGJ-CYBMUJFWSA-N 294.311 -0.281 50 20 CBGD CN1CCN(C(=O)NNC(=O)CC2OCCCO2)CC1 773660232 XFZFKNZJOHSFGO-UHFFFAOYSA-N 286.332 -0.872 50 20 CBGD Cc1cc(C(N)=O)ccc1NC(=O)NNC(=O)CN(C)C 775496741 KAEVNNMRYVGWSQ-UHFFFAOYSA-N 293.327 -0.192 50 20 CBGD C#C[C@@H](NCC(=O)NNC(=O)C1CC1)[C@H]1CCCO1 775799343 KLYNFUBUPPOJBC-GHMZBOCLSA-N 265.313 -0.686 50 20 CBGD O=C(CO)NN=C1CCS(=O)(=O)c2ccc(F)cc21 776779444 BVOGQUFWVNXGEJ-UHFFFAOYSA-N 286.284 -0.184 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@]12CCOC2=O 778249368 JLRJJYMAHIHPGE-AWEZNQCLSA-N 297.355 -0.039 50 20 CBGD CN1CCC(n2ccc(NC(=O)NNC(=O)CO)n2)CC1 786719236 ZGQXHEOXPBULBM-UHFFFAOYSA-N 296.331 -0.705 50 20 CBGD O=C(CN1C[C@@H]2[C@@H](CO)[C@@H]2C1)NNC(=O)c1cccs1 794832021 JBIQJYJSNFSZHQ-MYJAWHEDSA-N 295.364 -0.321 50 20 CBGD C=CCNC(=S)NNC(=O)C1(C(N)=O)CCC1 798306178 ABDPQFWKRPBHGH-UHFFFAOYSA-N 256.331 -0.677 50 20 CBGD CC(C)(C)n1cnc(C(=O)NNC(=O)Cc2cc[nH]n2)n1 812503175 VRRRRMCSPTXVHY-UHFFFAOYSA-N 291.315 -0.240 50 20 CBGD CC(C)C[C@@H](NC(=O)O)C(=O)NNc1nccn(C)c1=O 826800304 JHCSEFQOAIGHMB-MRVPVSSYSA-N 297.315 -0.094 50 20 CBGD Cc1cc(NNC(=O)[C@@H]2CCN(C)C2)nc(N)n1 828367572 SGBJENRVZPJKJG-MRVPVSSYSA-N 250.306 -0.238 50 20 CBGD CCS(=O)(=O)N1CCN(S(=O)(=O)CCl)CC1 830307901 WTLZJPLGPNECJE-UHFFFAOYSA-N 290.794 -0.520 50 20 CBGD CONC(=O)CNC(=O)[C@]1(C)C[C@H]1Br 832749658 XFHGEQIVRSRJSJ-SVGQVSJJSA-N 265.107 -0.046 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cn1cccn1 843645089 QKWDRFFNGWMLIX-BDAKNGLRSA-N 252.274 -0.545 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnnc1 843980067 QXWBEYRZNNOWBS-IONNQARKSA-N 250.258 -0.337 50 20 CBGD CCONC(=O)CNC(=O)NNc1ccc(F)cn1 846725804 VWOGHIIQXOLVJF-UHFFFAOYSA-N 271.252 -0.086 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CC[C@H]1C(N)=O 848234071 BUABPZDHHGPLHD-MAUMQABQSA-N 269.301 -0.930 50 20 CBGD CO[C@@H](C)[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858468270 FTCJPTUFMDCYRA-CSMHCCOUSA-N 272.305 -0.981 50 20 CBGD CC1(C)[C@@H]2CN(C(=O)NNC(=O)[C@H]3CCC(=O)N3)C[C@H]21 858697902 VFZOJNVHWKYURN-IWSPIJDZSA-N 280.328 -0.406 50 20 CBGD CCc1[nH]ccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862460814 GYNRSKUTSXMAJB-VIFPVBQESA-N 264.285 -0.383 50 20 CBGD COCC(=NNC(=O)CS(C)(=O)=O)C(C)C 863189190 CNMMTQBLGPEUKG-UHFFFAOYSA-N 250.320 -0.194 50 20 CBGD CC[C@H](NC(=O)c1cccc(B(O)O)c1)C(OC)OC 863880451 ZYYQUEOAUIKOGZ-NSHDSACASA-N 281.117 -0.506 50 20 CBGD COC(=O)N[C@H](C(=O)N1CC[C@@H](B(O)O)C1)C(C)C 864232764 CBQMMUDCZSGKKX-BDAKNGLRSA-N 272.110 -0.558 50 20 CBGD CC[C@]1(NC(=O)c2cccc(B(O)O)c2)CCOC1 867760172 PKSPEUUUUFPPCY-ZDUSSCGKSA-N 263.102 -0.335 50 20 CBGD C[C@H](O)CN(C)NC(=O)Cn1cc(Br)cn1 910169852 HCJJFLSINPKAAD-ZETCQYMHSA-N 291.149 -0.011 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cnc2sccn2c1=O 910180707 ZDMUFUBHRYVCKW-ZETCQYMHSA-N 282.325 -0.287 50 20 CBGD CN1CCC(C(=O)NNC(=O)c2ncccn2)CC1 910913806 DCGCMEXHSZTABP-UHFFFAOYSA-N 263.301 -0.421 50 20 CBGD C[C@@H]1NC(=O)[C@H](C)N(C(=O)c2cccc(B(O)O)c2)[C@@H]1C 911776373 BARCOCYWMRJTAJ-AEJSXWLSSA-N 290.128 -0.896 50 20 CBGD CCO/C=C(\C#N)C(=O)N1C[C@H](O)C[C@@]1(C)CO 912662324 IVALYGUCFLIWBP-VGDRSHSASA-N 254.286 -0.225 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](CCN)C1 923485582 WCGZALHVCLVRJZ-UWVGGRQHSA-N 256.350 -0.397 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@H]1C(=O)NCC1(C)C 931658826 PIOIXNLCZSJKDL-APPZFPTMSA-N 270.333 -0.954 50 20 CBGD COCCC(=NNC(=O)C(N)=O)C1CCOCC1 1116624541 LLTUMDNJKRCYNV-UHFFFAOYSA-N 257.290 -0.593 50 20 CBGD C/C(=C\C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1cnccn1 1118884795 QMFCTPUHXGASIH-BNICOGTQSA-N 289.295 -0.694 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CCc1ccn(C)n1 1261231786 MCNDEAUORXIKAJ-UHFFFAOYSA-N 281.316 -0.975 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1sccc1C#N 1324288452 KQTTWJGYFNVWOA-UHFFFAOYSA-N 268.254 -0.055 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cncc(OC)n1 1326514212 CJUIOTGPGPCHOX-UHFFFAOYSA-N 296.287 -0.884 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCN(C(C)(C)C)C1 1327760442 HHSANSCZJNVMCS-MRVPVSSYSA-N 286.332 -0.637 50 20 CBGD CC(=O)NNC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F 1332407307 GKHOEUVFAXCURT-NTSWFWBYSA-N 288.247 -0.623 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ccns2)CC1 1335909244 NPYVIRFFSJLQTQ-UHFFFAOYSA-N 269.330 -0.255 50 20 CBGD O=C(CN1CCC(=O)NC1=O)NNC(=O)C1CCCC1 1338889314 ZMCGZAJGRMCFGJ-UHFFFAOYSA-N 282.300 -0.734 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](N)C1CCCCCC1 1575697949 IHBVUKVZWBMHGU-LLVKDONJSA-N 298.387 -0.044 50 20 CBGD N[C@H](CO)C(=O)NNc1ncccc1Br 1580408881 HMJVDURFCRCXFD-ZCFIWIBFSA-N 275.106 -0.393 50 20 CBGD CC(C)(O)C(=O)NNC(=O)C1(CC(=O)O)CCOCC1 1588796065 RQXSBCGLZYDXJA-UHFFFAOYSA-N 288.300 -0.824 50 20 CBGD C[C@@H](C(=O)NN(C)C1CC1)n1cnc(-c2nn[nH]n2)n1 1588999111 HFWMWBMXHXNVEP-LURJTMIESA-N 277.292 -0.855 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccc(C(=O)O)cn1 1593456320 CDODQAIKSDYEHR-SSDOTTSWSA-N 253.258 -0.263 50 20 CBGD CNC(=S)N(C)NC(=O)C1(CC(=O)O)CCOCC1 1593797488 KNIXHNVNULGUFI-UHFFFAOYSA-N 289.357 -0.275 50 20 CBGD Cn1ccnc(NNC(=O)CCCCC(=O)O)c1=O 1594551668 QTSCSNAFGFVHAU-UHFFFAOYSA-N 268.273 -0.132 50 20 CBGD Cc1cc(=NNC(=O)Cn2cc(C(=O)O)nn2)cc[nH]1 1600282479 BNJDQPVSVDIQDL-UHFFFAOYSA-N 276.256 -0.755 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cc(C(=O)O)no2)cn1 1600931943 HTBYKYYKDCVIPP-UHFFFAOYSA-N 279.212 -0.819 50 20 CBGD O=C(O)[C@@]1(O)CCN(S(=O)(=O)CBr)C1 1601723643 RTNFHWMQGAKADM-ZCFIWIBFSA-N 288.119 -0.810 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cn1cc(C(=O)O)cn1 1604834516 LGSXYGLSAGDBGO-CBAPKCEASA-N 296.283 -0.846 50 20 CBGD O=C(Cn1ccc(C(=O)O)n1)NNC(=O)c1ccncc1 1608377694 ALYGZCILBATRTM-UHFFFAOYSA-N 289.251 -0.563 50 20 CBGD O=C(O)CNC(=O)NN=Cc1cnn(-c2ccccc2)n1 1608754644 VTBFIZQQQZLMEW-UHFFFAOYSA-N 288.267 -0.015 50 20 CBGD NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793110684 XHGRLYGBJBKGJP-JXUBOQSCSA-N 289.763 -0.817 50 20 CBGD C=CCCO[C@@H](C)C(=O)NNC(=O)C(=O)NC1CC1 66309018 PBODIFIOTYNPBV-QMMMGPOBSA-N 269.301 -0.606 50 20 CBGD COCCCNC(=O)NNC(=O)Cc1ccncc1 83019613 COPYHWKDUCIJLX-UHFFFAOYSA-N 266.301 -0.009 50 20 CBGD CC(C)c1cc(C(=O)NNC(=O)C(=O)N2CCCC2)n[nH]1 132200901 RESTZMPJNYUFND-UHFFFAOYSA-N 293.327 -0.084 50 20 CBGD CCNC(=O)N(C)NC(=O)c1n[nH]c(C)c1[N+](=O)[O-] 271242539 ATVNEKQIBSHCCO-UHFFFAOYSA-N 270.249 -0.068 50 20 CBGD COCCN(C)NC(=O)c1ccc(S(N)(=O)=O)cc1 294401334 NJZPBGAXJGRAKM-UHFFFAOYSA-N 287.341 -0.443 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cnc2n1CCCC2 372150759 WZFGPHAORPZYQU-UHFFFAOYSA-N 293.327 -0.094 50 20 CBGD CN(CCCn1ccnc1)C(=O)c1cccc(B(O)O)c1 584962483 HCUDPHVGTGNGKL-UHFFFAOYSA-N 287.128 -0.275 50 20 CBGD C[C@@]1(CO)CCCN(C(=O)c2cccc(B(O)O)c2)C1 584966287 ZKMMBAUCUHQMOP-CQSZACIVSA-N 277.129 -0.399 50 20 CBGD CC(C)(O)C(C)(C)NC(=O)c1ccc(B(O)O)cc1 584968951 HNEMAFNZYZFHLV-UHFFFAOYSA-N 265.118 -0.354 50 20 CBGD C[C@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)[C@H]1CO 584971126 XRPLCHUHUMMECW-ZANVPECISA-N 295.119 -0.262 50 20 CBGD COC[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@H](C)O1 584979513 WCYVLDNIFWBVCB-GXFFZTMASA-N 293.128 -0.758 50 20 CBGD CCN(C)C(=O)[C@@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584979749 DKUUDGOMHPGMIZ-MRVPVSSYSA-N 296.107 -0.898 50 20 CBGD C[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)c1ncnn1C 584980121 QYHVACITRUNURL-ZETCQYMHSA-N 292.079 -0.875 50 20 CBGD C[C@]1(O)CCCN(C(=O)c2cccc(B(O)O)c2)CC1 584985869 QWBLNHALBYESFB-AWEZNQCLSA-N 277.129 -0.257 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2[C@@H](C1)C2(F)F 585004949 SCVSTZZAEIQPPH-NXEZZACHSA-N 267.040 -0.297 50 20 CBGD C[C@@H]1CCN(CCNCc2ccc(B(O)O)o2)C1 585034676 SKVYEBHNYRVTGR-SNVBAGLBSA-N 252.123 -0.609 50 20 CBGD OB(O)c1ccc(CN[C@@H]2C[C@@H]3OCCC[C@@H]32)o1 585036149 AQBXFIMTWLOFIE-MXWKQRLJSA-N 251.091 -0.384 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)cc1)c1cnnn1C 585046513 WFFJDHYBBGLGQT-SECBINFHSA-N 260.106 -0.654 50 20 CBGD O=C(CN1Cc2ccccc2C1=O)N1CC[C@@H](B(O)O)C1 585064711 AWJNRAIENQAUJQ-LLVKDONJSA-N 288.112 -0.282 50 20 CBGD Cc1cnc(C(=O)NNC(=O)Cc2cc[nH]n2)cn1 730090530 GVUOCPHXUHISSB-UHFFFAOYSA-N 260.257 -0.488 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(C(=O)O)s1 737360782 NYPWWVLBUAZWNK-UHFFFAOYSA-N 271.298 -0.231 50 20 CBGD Cc1nnc(NNC(=O)[C@@H]2C[C@@H]2C(=O)O)nc1O 738932634 VNQHVJYRXHABCV-UHNVWZDZSA-N 253.218 -0.951 50 20 CBGD C[C@@H]1CC(=NNC(=O)C(=O)NC2CC2)CCN1C 741462829 WLTNBQSWOAXLHO-MRVPVSSYSA-N 252.318 -0.149 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 746005943 DPTRGTIIZRPGCM-QMMMGPOBSA-N 270.333 -0.064 50 20 CBGD CSc1cccc(NC(=O)C(=O)NNC(=O)CO)c1 764421925 SSMMVUIQKJSAHJ-UHFFFAOYSA-N 283.309 -0.513 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCc1nccs1 768256547 SKOYPTGYZGRYFO-UHFFFAOYSA-N 257.315 -0.006 50 20 CBGD C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)C(C)(C)O 768260405 WFZDFJBQWDDXMM-DTORHVGOSA-N 257.334 -0.223 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@@H](CCO)C1CC1 771797702 BNYDQISIDVSAMN-SCZZXKLOSA-N 257.334 -0.317 50 20 CBGD COc1cc(C=NNC(=O)CO)c([N+](=O)[O-])cc1O 776776036 FBJNLIUOTCDWMY-UHFFFAOYSA-N 269.213 -0.249 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H](C)n2cnc(C#N)n2)n[nH]1 798986512 PSIPJOQZJZYZRK-ZETCQYMHSA-N 288.271 -0.797 50 20 CBGD C=CCOCC(=O)NNC(=O)N=c1cc[nH]cc1 802031302 GNTPACLUVJXUEW-UHFFFAOYSA-N 250.258 -0.141 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](CC(N)=O)C1 808775324 WGIJEOXGDPQOFT-IUCAKERBSA-N 270.333 -0.870 50 20 CBGD COCCO[C@H](C)C(=O)NN=Cc1cn(C)nc1O 814223075 ABPWZONIHMDYFT-MRVPVSSYSA-N 270.289 -0.373 50 20 CBGD CCCCCS(=O)(=O)CC(=O)NNc1cnnn1C 816771934 HCCAXKUIPITXTM-UHFFFAOYSA-N 289.361 -0.137 50 20 CBGD COCCN(C)NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 819745312 XEDHQEIHGAKBJB-GHMZBOCLSA-N 297.355 -0.229 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 823976207 ATGXCJNMTQSHRT-PWSUYJOCSA-N 283.372 -0.021 50 20 CBGD CCOC(=O)[C@H](C)[C@@H](C)NCC(=O)NNC(=O)C(C)C 828846174 ASFHUJSKADXYCM-NXEZZACHSA-N 287.360 -0.033 50 20 CBGD CN[C@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 843348742 PCIGZLJVAUDMTB-JTQLQIEISA-N 254.334 -0.772 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CN1CCCCC1=O 843642832 HACGYGOIQJNJJX-VHSXEESVSA-N 283.328 -0.429 50 20 CBGD CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843643542 IKNRGNDSCNYREO-MVWJERBFSA-N 297.355 -0.040 50 20 CBGD CC(C)[C@@H](C(=O)NNC(=O)CO)C(=O)OC(C)(C)C 844138810 XSCNJMSVLQOENA-VIFPVBQESA-N 274.317 -0.260 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=S)NCC1CC1 849257963 GAIPSPJEDVOXPL-QMMMGPOBSA-N 275.374 -0.057 50 20 CBGD CNC[C@H](C)NC(=O)NNC(=O)c1cccc(C)n1 851679332 CCUKRNVIAUWGQB-VIFPVBQESA-N 265.317 -0.058 50 20 CBGD C#C[C@@H](CC)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 854070399 NEPFPHAACZQEFH-GXSJLCMTSA-N 273.358 -0.221 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)[C@H]1CCCCO1 854683817 UTGRBBIKSHZQGW-BDAKNGLRSA-N 260.290 -0.636 50 20 CBGD C[C@H](NC(=S)NNC(=O)CSCC(N)=O)C1CC1 855100979 MTZNZFYIFJVWJF-LURJTMIESA-N 290.414 -0.501 50 20 CBGD CCCC[C@H](NC(N)=O)C(=O)NNC(=O)c1cc[nH]n1 855359662 ZZEHIHSPQXYMGB-ZETCQYMHSA-N 282.304 -0.602 50 20 CBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)OCC(F)(F)F 856018814 HLPHHEZLZDFXFR-WHFBIAKZSA-N 283.206 -0.182 50 20 CBGD CC(=O)N[C@@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)C(C)C 862094125 GJIMDALYXUDUCU-FBIMIBRVSA-N 285.344 -0.281 50 20 CBGD Cn1ccc(CCC(=O)NNC(=O)c2cn[nH]c2)n1 862470140 IWHYFVDGSNNYOH-UHFFFAOYSA-N 262.273 -0.463 50 20 CBGD CCc1ccc(CC(=O)NNC(=O)CS(C)(=O)=O)cc1 863463427 ITPZJJAPPBUVJL-UHFFFAOYSA-N 298.364 -0.017 50 20 CBGD CN(C)C(=O)NNC(=O)/C=C\CN1CCOCC1 865046801 BCSVSBWDLKRXHL-ARJAWSKDSA-N 256.306 -0.823 50 20 CBGD COCCOCC(=O)NNC(=O)c1cc2n(n1)CCCC2 869905541 OJPTZAGXVBDUBV-UHFFFAOYSA-N 296.327 -0.357 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CCCCN(C)C1=O 874193931 XKTQULOCDUWWKK-QMMMGPOBSA-N 256.306 -0.405 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)C2CCCC2)C1=O 900173959 FGUZWEAKVQHYEY-VIFPVBQESA-N 269.301 -0.819 50 20 CBGD COC[C@H](C)NC(=S)NNC(=O)CCN(C)C 916124436 KTXQDPWGSAIEBA-QMMMGPOBSA-N 262.379 -0.532 50 20 CBGD Cc1cc(C)n2nc(C(=O)NNc3cnnn3C)nc2n1 1118827357 MZMSOEFFWZCBGO-UHFFFAOYSA-N 287.287 -0.373 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H](C)CN1CCCC1 1318940737 BKRUFEXLVMGWDH-VIFPVBQESA-N 286.332 -0.778 50 20 CBGD CCc1nn(C)c(Cl)c1C=NNC(=O)C(N)=O 1322922364 YPDROPVTWJZWGP-UHFFFAOYSA-N 257.681 -0.429 50 20 CBGD Cc1cc(C(=O)NNc2ccc(C(N)=O)nn2)on1 1323770043 JKWQCJRWHUASSO-UHFFFAOYSA-N 262.229 -0.371 50 20 CBGD Cn1cccc1C(=O)NNS(=O)(=O)N=S(C)(C)=O 1324399105 GVDQWDAFFQVOJZ-UHFFFAOYSA-N 294.358 -0.768 50 20 CBGD Cc1nnc(NNC(=O)C[C@@](C)(O)C2CC2)nc1O 1324449952 FQFKRRKYOZXCHM-LLVKDONJSA-N 267.289 -0.120 50 20 CBGD CN(C)C(=O)NNC(=O)C1(S(C)(=O)=O)CCC1 1324984236 BTTBDZYNVYZGSL-UHFFFAOYSA-N 263.319 -0.744 50 20 CBGD NS(=O)(=O)c1cc(C(=O)NN=c2cc[nH]cc2)co1 1325092441 YFMJTUUWGLWOKQ-UHFFFAOYSA-N 282.281 -0.499 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)C1(O)CCOCC1 1325106566 BQWNMBNSIPCMRV-UHFFFAOYSA-N 285.222 -0.579 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cccnc1F 1326361238 JMKBKPSLLPQOQP-UHFFFAOYSA-N 283.263 -0.148 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCS1(=O)=O)C1CCC1 1327619770 USRXELCDWNKSON-QMMMGPOBSA-N 260.315 -0.489 50 20 CBGD N#Cc1ncn(CC(=O)NNc2ncncc2F)n1 1327887835 KWDHDHXMGJUHQJ-UHFFFAOYSA-N 262.208 -0.778 50 20 CBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)no1 1329299642 LMVJUHIXXVETGX-YUMQZZPRSA-N 296.283 -0.506 50 20 CBGD COc1cc(NC(=O)C(=O)NNC(=O)C(C)C)[nH]n1 1329470889 RDBUHTFIMBOGCD-UHFFFAOYSA-N 269.261 -0.840 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H](C)S(C)(=O)=O 1334022914 NMJLLICQCJLISC-QMMMGPOBSA-N 260.315 -0.630 50 20 CBGD COc1cc(F)cc(NNC(=O)CN2C(=O)CNC2=O)c1 1334936955 QBRWGSUUHJNWTC-UHFFFAOYSA-N 296.258 -0.171 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)NC1CC1 1339818891 NFEOTRYLPILGJY-ZCFIWIBFSA-N 263.319 -0.840 50 20 CBGD O=C(NNc1nc[nH]n1)c1nnc2ccccc2n1 1343972273 CIQWVDXZNKATGF-UHFFFAOYSA-N 256.229 -0.100 50 20 CBGD Cc1nnc(O)c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1C 1346067162 CPDKLRTUJQMRRF-DTWKUNHWSA-N 294.311 -0.015 50 20 CBGD C[C@H]1CNc2c(C(=O)NN(C)[C@H](C)CO)cnn2C1 1548722948 AWTKXNOCKYSCIU-DTWKUNHWSA-N 267.333 -0.098 50 20 CBGD C#CC[C@]1(C(=O)NNC(=O)NCC2CC2)CCCN1 1574517367 NETSGGRLJKZDDS-CYBMUJFWSA-N 264.329 -0.128 50 20 CBGD Cn1cc(C(=O)NNC(=O)CC[C@@H]2CCNC2)ccc1=O 1579953297 ROWOBYSMGSASNX-SNVBAGLBSA-N 292.339 -0.464 50 20 CBGD NCCC(=O)NNC(=O)c1ccc2nc[nH]c2c1F 1580281693 LYQPNSXECXCQOK-UHFFFAOYSA-N 265.248 -0.188 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(C(=O)O)co1 1591636048 XBUGZNPMWUFNBX-UHFFFAOYSA-N 283.240 -0.737 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1cnc(C(=O)O)cn1 1594551779 YGZDGMUVXPURMW-UHFFFAOYSA-N 289.251 -0.412 50 20 CBGD Cn1nnc(C(=O)NNc2ccc(C(=O)O)c(F)c2)n1 1601040646 MYFZMDZCKXOKKF-UHFFFAOYSA-N 280.219 -0.196 50 20 CBGD O=C(Cc1ccccn1)NNC(=O)NC[C@H]1C[C@H]1C(=O)O 1601369809 LHPKLUMGTXVMPE-PSASIEDQSA-N 292.295 -0.325 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H]1CCC[C@H]1C(=O)O 1604860493 VQMCXUUKRICYKP-YIZRAAEISA-N 271.317 -0.225 50 20 CBGD CNC(=O)NNC(=O)Cc1ccc(-c2nn[nH]n2)cc1 1609288600 ATTOJFZSXAXPEF-UHFFFAOYSA-N 275.272 -0.631 50 20 CBGD COCC(=O)NNC(=O)Nc1cccc(CC(=O)O)n1 1610241541 MPMBMRLSMPAFBN-UHFFFAOYSA-N 282.256 -0.492 50 20 CBGD COCC[C@@H](Cc1ccco1)NC(=O)NNC(=O)C(=O)O 1610255291 YZIRQRYUBVXFBF-QMMMGPOBSA-N 299.283 -0.358 50 20 CBGD C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2 1783049146 QHXNBZVGSLEKRM-JQWIXIFHSA-N 288.706 -0.016 50 20 CBGD CNC(=O)NNC(=O)c1nc2nc(C)cc(C)n2n1 56370750 HEHSZVLXSJNBEI-UHFFFAOYSA-N 263.261 -0.685 50 20 CBGD CN(C)CC(=O)NNC(=O)CSCC(F)(F)F 120086633 CKWISBHRMAHQGQ-UHFFFAOYSA-N 273.280 -0.009 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)c2cnn(C)c2)CC1 266810378 CIVGAQZJZQRCMP-UHFFFAOYSA-N 280.284 -0.476 50 20 CBGD COC(=O)N(C)NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 286259702 HJPBQESRWQLULR-DTORHVGOSA-N 297.311 -0.109 50 20 CBGD CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)C(C)(C)O 286919842 ZESHVYCZIOAWNC-SECBINFHSA-N 271.317 -0.694 50 20 CBGD C[C@@H]1CN(S(=O)(=O)CBr)C[C@H]1O 306407005 WTOPVULAOQUFLF-PHDIDXHHSA-N 258.137 -0.019 50 20 CBGD COC(=O)N(C)NC(=O)CCN1C(=O)CCNC1=S 496617718 WRITWKVCUIHEML-UHFFFAOYSA-N 288.329 -0.787 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@@H](CO)C1 584931449 VWZZRZATOXWPMJ-SECBINFHSA-N 281.092 -0.650 50 20 CBGD O=C(NC[C@@H]1CCOC1)c1cc(B(O)O)ccc1F 584934563 SRXRREDOAMXBIR-QMMMGPOBSA-N 267.065 -0.728 50 20 CBGD C[C@H](NC(=O)c1cccc(B(O)O)c1)[C@H]1CCOC1 584950384 JQVBTXMHVCXWTE-ONGXEEELSA-N 263.102 -0.479 50 20 CBGD C[C@]1(NC(=O)c2cc(B(O)O)ccc2F)CCCOC1 584969717 IBWBQFPNJIQTQZ-ZDUSSCGKSA-N 281.092 -0.196 50 20 CBGD C[C@@H]1C[C@H](CNC(=O)c2cccc(B(O)O)c2)CCO1 584970236 NMGLSGQZHPCKCS-GHMZBOCLSA-N 277.129 -0.089 50 20 CBGD Cc1nnc(NC(=O)c2cccc(B(O)O)c2)n1C1CC1 584995839 WICXULCKUSBFRA-UHFFFAOYSA-N 286.100 -0.146 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1N[C@H]2CC[C@H]1C2 585010703 XLXYWRZCLAYCFG-IUCAKERBSA-N 264.065 -0.613 50 20 CBGD CN1CCC(CNCc2cccc(B(O)O)c2)CC1 585021621 BNDRCBRGTRMVTH-UHFFFAOYSA-N 262.162 -0.202 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCN(C3CC3)C2)c(F)c1 585022557 QJKDPPYQCQLMNX-GFCCVEGCSA-N 278.136 -0.168 50 20 CBGD OB(O)c1ccc(CNCC2(O)Cc3ccccc3C2)o1 585024925 HOYVVCFEFUFPHE-UHFFFAOYSA-N 287.124 -0.421 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCO[C@]3(CCOC3)C2)cc1 585033836 GRESZPZJKLZDMZ-LSDHHAIUSA-N 291.156 -0.206 50 20 CBGD O=C1CC[C@H](NCc2cccc(B(O)O)c2)[C@@H](C2CC2)N1 585042637 SUZHAZBLHRBLFX-DZGCQCFKSA-N 288.156 -0.487 50 20 CBGD CCc1cc(S(=O)(=O)NCB(O)O)c(C)cc1OC 585057126 MMUKQTHXAQRMPN-UHFFFAOYSA-N 287.146 -0.144 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1cc(Cl)cnc1N 754750507 USMYUXYEIFCVFS-UHFFFAOYSA-N 293.736 -0.170 50 20 CBGD COC(=O)c1cc(NC(=O)NNC(=O)CO)ccc1F 756053084 IXPFOMYMCAJXLB-UHFFFAOYSA-N 285.231 -0.243 50 20 CBGD CC1(CC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 757870560 FJERHEIBTRFXNR-QMMMGPOBSA-N 289.357 -0.306 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(OC)c(F)c1 764299407 HEBWJCHCWFDNEW-UHFFFAOYSA-N 299.258 -0.433 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(OC)c1 764326001 XNUDTFXAJAJHOT-UHFFFAOYSA-N 295.295 -0.182 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1CCOCC1 771948309 KLEGVICGNVHPBB-QMMMGPOBSA-N 272.301 -0.098 50 20 CBGD COCCCn1ccc(NC(=O)NNC(=O)CN(C)C)n1 775633327 SJADFOGCKDWFLK-UHFFFAOYSA-N 298.347 -0.366 50 20 CBGD CN(C)c1ccncc1C=NNC(=O)C(=O)NC1CC1 776185407 KDJJWMXTBNJQBY-UHFFFAOYSA-N 275.312 -0.124 50 20 CBGD CNC(=O)NNC(=O)CCn1c(C)cc(O)cc1=O 783576916 VBCJJODUDBDWJY-UHFFFAOYSA-N 268.273 -0.787 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]1CCCO1 783845420 GXOMHWVLBWEFFT-BDAKNGLRSA-N 277.346 -0.405 50 20 CBGD C=CCNC(=S)NNC(=O)CCn1ccnn1 798305444 PCMVKKRNYJDBTG-UHFFFAOYSA-N 254.319 -0.651 50 20 CBGD COc1nccnc1NNC(=O)C[C@H]1CCC(=O)N1 816970571 CVHLZOIVIXYBBM-SSDOTTSWSA-N 265.273 -0.403 50 20 CBGD CCN(CCO)NC(=O)[C@]12CCC(=O)N1CCS2 823842731 VXAFFHDQMFACLD-LLVKDONJSA-N 273.358 -0.603 50 20 CBGD CCCNC(=O)NNC(=O)C[C@@H]1CCC(=O)N1C 823950144 DHTUXSMOBCKCLP-QMMMGPOBSA-N 256.306 -0.262 50 20 CBGD C[C@H](CO)N(C)NC(=O)CCNC(=O)c1ccco1 823988363 RADAKBIALMRWRY-SECBINFHSA-N 269.301 -0.257 50 20 CBGD COC/C(C)=C/C(=O)NNC(=O)CN1CCCC1=O 824308117 VZDQLQKJHJGQBB-RMKNXTFCSA-N 269.301 -0.651 50 20 CBGD Cc1cc(=NNC(=O)[C@@H]2CSCC(=O)N2)cc[nH]1 827030239 HFXLGJQALOSBMS-VIFPVBQESA-N 266.326 -0.513 50 20 CBGD CNC[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 843346861 RBILMJUXGIVCEO-JTQLQIEISA-N 268.361 -0.525 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@](C)(CN)C1 843382969 UOABKGHZACIXQA-CABZTGNLSA-N 256.350 -0.397 50 20 CBGD O=S(=O)(CCl)N1CC(N2CC[C@@H](O)C2)C1 846005170 BSLLESCRHPOSEU-MRVPVSSYSA-N 254.739 -0.737 50 20 CBGD CSSCCNC(=O)[C@@H]1CCS(=O)(=O)N1 846097114 FJBNDWXIZFGMQO-LURJTMIESA-N 270.401 -0.195 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CCCS1(=O)=O 847285295 HBXZGRTVLVGACR-SSDOTTSWSA-N 277.371 -0.755 50 20 CBGD CNC(=S)N(C)NC(=O)c1cc2n(n1)CCCO2 854920458 ORVXRNAEYYTGCO-UHFFFAOYSA-N 269.330 -0.254 50 20 CBGD CNC(=S)N(C)NC(=O)CCc1nc(N(C)C)no1 854922966 VHIKFHVNRCNCSE-UHFFFAOYSA-N 286.361 -0.465 50 20 CBGD O=C1CC[C@@H](CC(=O)NNC(=O)c2cccc(F)n2)CN1 856428560 XSDUGFJBRGCXPZ-QMMMGPOBSA-N 294.286 -0.102 50 20 CBGD C#C[C@H](CCC)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858391039 VKCJXMQMBBXEKB-BDAKNGLRSA-N 266.301 -0.603 50 20 CBGD C#CC[C@@H](CCOC)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858701928 SNCDSBJYAMOYJK-VHSXEESVSA-N 296.327 -0.976 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)C(F)(F)F 862455280 DYBNFMBWQOYRHO-RFZPGFLSSA-N 267.207 -0.389 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2[C@H]3CCCC[C@H]32)N1 862456045 LYXIRJWQNHVCHN-QCBRBAQYSA-N 265.313 -0.151 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H](O)Cc2ccccc2)N1 862459375 SBURKQAVIWBTSG-MNOVXSKESA-N 291.307 -0.984 50 20 CBGD CCc1csc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 862459576 VXNCFRHSTMWBTO-QMMMGPOBSA-N 296.352 -0.326 50 20 CBGD C#CC[C@H](NCc1cccc(B(O)O)c1)C(=O)OC 863889944 KSZDFXWXCXNTPP-LBPRGKRZSA-N 261.086 -0.979 50 20 CBGD Cn1cccc1C(=O)NNC(=O)/C=C/CN1CCOCC1 864594302 SATJWBGBTFZGNH-HWKANZROSA-N 292.339 -0.326 50 20 CBGD O=C(N[C@@H]1CCn2cncc2C1)c1cccc(B(O)O)c1 869101397 BGPDMYHMXXHLBX-GFCCVEGCSA-N 285.112 -0.692 50 20 CBGD C#CCN1CCC[C@H](NC(=O)NNC(=O)COCC)C1 890372938 NUTGSMOKTYYZGM-NSHDSACASA-N 282.344 -0.549 50 20 CBGD CN1CCCC[C@@H](C(=O)N2CC[C@H](B(O)O)C2)C1=O 902552471 MPDKLTBSVMISFX-VHSXEESVSA-N 268.122 -0.680 50 20 CBGD CN(C[C@H](O)CO)C(=O)[C@]1(C)C[C@H]1Br 907193558 YWUQUNFLPLWPFF-LKEWCRSYSA-N 266.135 -0.029 50 20 CBGD CSC[C@H](C(=O)NN)N1C(=O)[C@H]2CCCC[C@H]2C1=O 916665507 BZWGDMASVKOYMZ-HRDYMLBCSA-N 285.369 -0.117 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1ccco1 919672600 XXOOKZMKOJPPMO-UHFFFAOYSA-N 251.242 -0.337 50 20 CBGD CN(C)CCC(=O)NNC(=S)NC1CCN(C)CC1 920307025 ABEANGINSVGOSZ-UHFFFAOYSA-N 287.433 -0.472 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCn2ccnc21 931521314 FILDLGJILALUQN-MRVPVSSYSA-N 251.290 -0.351 50 20 CBGD Cn1cccc1C(=O)NNC(=O)C[C@H]1CCS(=O)(=O)C1 1115824490 WJAGUUFPPQXESV-SECBINFHSA-N 299.352 -0.389 50 20 CBGD O=C(CCO)NN=C1CCN(c2cnccn2)CC1 1116199347 IPFLJJHYARQIGW-UHFFFAOYSA-N 263.301 -0.069 50 20 CBGD Cc1nnc(NNC(=O)c2nnc3ccccc3n2)nc1O 1117668308 ANOJOFBZXGQZSL-UHFFFAOYSA-N 298.266 -0.019 50 20 CBGD O=C1NCC[C@@H]1C(=O)NNc1nc(-c2cccnc2)no1 1118594065 XFZMVHMEMJQDSX-QMMMGPOBSA-N 288.267 -0.289 50 20 CBGD Cc1c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cnn1C(C)C 1118884727 ORRRERYYAWHJQH-JTQLQIEISA-N 293.327 -0.188 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(Cl)n(C)n1 1261776203 IXXOBBNOISAYQN-UHFFFAOYSA-N 287.707 -0.641 50 20 CBGD Nc1cnnc(NNC(=O)[C@H]2CCC(=O)NC2)c1Cl 1319302828 IZMNVMROBIVPME-YFKPBYRVSA-N 284.707 -0.319 50 20 CBGD Cc1nnc(O)c(C(=O)NNC(=O)C2CC2)c1C 1319987356 JWSGGDNYLGAMLH-UHFFFAOYSA-N 250.258 -0.030 50 20 CBGD CN(CCO)CC(=O)NNC(=O)c1cccc(C#N)c1 1320205596 COQFQLSJUIKLOP-UHFFFAOYSA-N 276.296 -0.757 50 20 CBGD COCCn1ccc(C(=O)NNC(=O)N(C)C)n1 1320895120 OIVYOKYIWQURAU-UHFFFAOYSA-N 255.278 -0.555 50 20 CBGD Cc1cc(F)ccc1NNC(=O)c1cn(CC(N)=O)nn1 1322858365 ZSZUMJIICQHELW-UHFFFAOYSA-N 292.274 -0.032 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1cn(C)cn1 1326487672 WKJBWIAZGSFPAZ-YUMQZZPRSA-N 288.329 -0.845 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN([C@@H]2CCOC2)CC1 1327866417 XCOVKGIJDNFBGG-VXGBXAGGSA-N 298.387 -0.661 50 20 CBGD COc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)o1 1329033521 BVFHUAJPCWXLGH-UHFFFAOYSA-N 269.257 -0.426 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)c1cn[nH]c1 1329521234 HWLCVUCRQOLNJY-ZETCQYMHSA-N 275.272 -0.975 50 20 CBGD CC(=O)N1CCC(=NNC(=O)C(N)=O)c2ccccc2C1 1337379691 ACXLKPVYCCLQOZ-UHFFFAOYSA-N 288.307 -0.256 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)CC1COC1 1339071770 YKOWKFXHWGJMOA-UHFFFAOYSA-N 280.280 -0.045 50 20 CBGD C[C@H]1CCOCCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1339908345 UNOSGZJKCUENIM-DTWKUNHWSA-N 284.316 -0.883 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)C1(O)CCSCC1 1342375359 WLRMGYCCEZBFEK-UHFFFAOYSA-N 284.341 -0.642 50 20 CBGD C[C@H](O)c1cn(CC(=O)NNc2ncncc2Cl)nn1 1343200502 PMSIBWHUIREDBF-LURJTMIESA-N 297.706 -0.082 50 20 CBGD Cc1nn[nH]c1C(=O)NNC(=O)Cc1ccncc1 1344084418 YWABADSJMLPPSS-UHFFFAOYSA-N 260.257 -0.488 50 20 CBGD O=C(C[C@H]1CCC(=O)N1)NNC(=O)c1ccc[nH]1 1347191812 MZFSCFHDPXWRCO-SSDOTTSWSA-N 250.258 -0.556 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ncc(Cl)s2)N1 1351627771 JLBFQQBJSAFOAC-SCSAIBSYSA-N 288.716 -0.164 50 20 CBGD C=CCCC[C@@H](N)C(=O)NNC(=O)[C@@H]1COCCO1 1574908398 MMXQPBUUIAQRQG-ZJUUUORDSA-N 271.317 -0.767 50 20 CBGD C[C@@H](C(=O)NNC(=O)NC1CCNCC1)[C@@H]1CCCO1 1575069699 PRYFPLPRKFLLCP-KOLCDFICSA-N 284.360 -0.116 50 20 CBGD CC(=O)NNC(=O)Nc1ccc(-c2nn[nH]n2)cn1 1588869834 HZTXRWATGJGZLU-UHFFFAOYSA-N 262.233 -0.566 50 20 CBGD CC(C)C[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)O 1588905295 MVABVFDBJZDXBJ-NSHDSACASA-N 297.091 -0.265 50 20 CBGD O=C(O)COCCNC(=O)NNC(=O)CC(F)(F)F 1602080091 XHVSUHBZPDIRKJ-UHFFFAOYSA-N 287.194 -0.630 50 20 CBGD Cn1c(=O)ccn(CC(=O)NNc2ccc(C#N)cc2)c1=O 155284513 IRWXPDOADZHVAQ-UHFFFAOYSA-N 299.290 -0.438 50 20 CBGD Cc1nn(C(C)(C)C)cc1C(=O)NNC(=O)CO 182771450 MYTGGXXKZAOWLW-UHFFFAOYSA-N 254.290 -0.300 50 20 CBGD Cc1cc(NNC(=O)Cn2ncn(C)c2=O)nc(C)n1 183211648 CAPSKZSRPBRIPT-UHFFFAOYSA-N 277.288 -0.868 50 20 CBGD COC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)NC(C)C 285130112 NHUOUASDFZOKPC-HTQZYQBOSA-N 257.290 -0.076 50 20 CBGD CN(CC(=O)NNC(=O)c1ccccc1)[C@@H]1COC[C@H]1O 285555043 MQEHTHWGVWCJCY-VXGBXAGGSA-N 293.323 -0.861 50 20 CBGD COC(=O)COCC(=O)NNc1nc(C)cc(C)n1 287106522 NFPNLDMVBJJODM-UHFFFAOYSA-N 268.273 -0.274 50 20 CBGD C#CCO[C@H](C)C(=O)NNC(=O)COc1ccccc1O 294501889 FOUYJNOZIVLUOJ-SNVBAGLBSA-N 292.291 -0.043 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1OC[C@@H]2CCC[C@@H]21 377960565 UUUFEWNZTXHGFZ-GARJFASQSA-N 283.328 -0.126 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)Nc1cccc(B(O)O)c1 584910281 OFMSBNOGCDQUBH-QMMMGPOBSA-N 264.090 -0.780 50 20 CBGD CCCc1nc(=NC(=O)c2cccc(B(O)O)c2)s[nH]1 584940534 WVNUKKQUZLWKLA-UHFFFAOYSA-N 291.141 -0.155 50 20 CBGD CS[C@H]1CC[C@H]1NC(=O)c1cccc(B(O)O)c1 584960307 QCTKLIMCAZANJX-MNOVXSKESA-N 265.143 -0.010 50 20 CBGD C[C@@H]1CC[C@@H](CO)CN1C(=O)c1cccc(B(O)O)c1 584967244 HJSZZVRPNCORPD-GHMZBOCLSA-N 277.129 -0.401 50 20 CBGD CCOC[C@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584974287 NFVMRCMUZDYEJB-QMMMGPOBSA-N 269.081 -0.340 50 20 CBGD CC[C@H]1CN(C)CCCN1C(=O)c1ccc(B(O)O)cc1 584982663 HPKCEMKDBNUXMF-AWEZNQCLSA-N 290.172 -0.077 50 20 CBGD C[C@@H]1C[C@H](CO)CN(C(=O)c2cccc(B(O)O)c2)C1 585000991 SKCMAWJMUUDUMK-MNOVXSKESA-N 277.129 -0.543 50 20 CBGD Cc1noc(CCCNCc2cccc(B(O)O)c2)n1 585024141 QTNUYCIBILIEJH-UHFFFAOYSA-N 275.117 -0.220 50 20 CBGD CC(C)C[C@H](O)CNCc1ccc(B(O)O)cc1 585025609 YJRWZGKSLQUHPV-ZDUSSCGKSA-N 251.135 -0.137 50 20 CBGD CCO[C@@H]1C[C@H](NCc2ccccc2B(O)O)[C@@H]1OC 585035793 YTVAEBRJGQUYLA-MJBXVCDLSA-N 279.145 -0.352 50 20 CBGD O=C1C[C@@H](NCc2ccccc2B(O)O)[C@H]2CCCCN12 585041480 DDMXOTLDODESRH-ZIAGYGMSSA-N 288.156 -0.391 50 20 CBGD CO[C@H](CS(=O)(=O)NCB(O)O)C1CCCCC1 585056990 GFKVUNOTRKSYAW-SNVBAGLBSA-N 279.167 -0.487 50 20 CBGD O=C(CSCC(=O)c1ccccc1)NCB(O)O 585061787 GZFDIWRUJKSXIR-UHFFFAOYSA-N 267.115 -0.269 50 20 CBGD CCNC(=O)NNC(=O)c1c(OC)ncnc1OC 732063616 XBENJVCXWXTCEB-UHFFFAOYSA-N 269.261 -0.542 50 20 CBGD CCOC(=O)CN(CC(=O)NNC(=O)C1CC1)C1CC1 733194531 YOFGFANFLRBPPY-UHFFFAOYSA-N 283.328 -0.429 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1CCn2cncc2C1 750857032 OZCPYZJTYAPUMB-SNVBAGLBSA-N 293.327 -0.482 50 20 CBGD C#CCOCCNC(=O)NNC(=O)CC(F)(F)F 753378262 KOKFRAHEIKELLR-UHFFFAOYSA-N 267.207 -0.081 50 20 CBGD CCCNC(=O)NNC(=O)Cn1c(C)cc(O)cc1=O 759753819 JNTHQHQXDIWHBX-UHFFFAOYSA-N 282.300 -0.397 50 20 CBGD CO[C@H](C)C(C)=NNC(=O)[C@@H]1CCS(=O)(=O)C1 763148834 GFVHEGJEYVMEKF-RKDXNWHRSA-N 262.331 -0.052 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCN1CCCC1=O 772086108 AQKIGFCHIQBOIL-VIFPVBQESA-N 299.327 -0.512 50 20 CBGD CC(C)c1nccnc1NNC(=O)Cn1ncn(C)c1=O 772866758 KVADFQQUXSCQCP-UHFFFAOYSA-N 291.315 -0.362 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](n2cncn2)C1 776876138 DPHCMPFEJQXBPS-VHSXEESVSA-N 280.332 -0.529 50 20 CBGD CC[C@@H](CO)C(=O)NNC(=O)Cc1cccnc1 779768077 UNWNXFGBWUDLRB-JTQLQIEISA-N 251.286 -0.210 50 20 CBGD CCCn1cc(C(=O)NN(C)C(=O)NCC)nn1 780709720 TWLDLANTFHGOBA-UHFFFAOYSA-N 254.294 -0.006 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H]2C[C@@]2(CO)C1 782604656 LBUXFZVGARFXKI-WDMOLILDSA-N 283.372 -0.117 50 20 CBGD CC(C)C(=O)NNC(=O)NC[C@H]1CCCCS1(=O)=O 784440720 KGIYKEMYKDUPGJ-SECBINFHSA-N 291.373 -0.060 50 20 CBGD CNC(=O)NNC(=O)[C@@H](O)Cc1cccc(OC)c1 785410308 WPBHPQYZMSTHMF-JTQLQIEISA-N 267.285 -0.441 50 20 CBGD CC(C)N(CCOCCO)CC(=O)NNC(=O)C1CC1 801992828 DXCBFCYBRJJJDN-UHFFFAOYSA-N 287.360 -0.737 50 20 CBGD CCOc1nc(C(=O)NNC(=O)N2CCN(C)CC2)co1 807383089 KDXMRMPMUBKIPR-UHFFFAOYSA-N 297.315 -0.325 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H]1CCCC(=O)N1 808681360 CFSZFTYHXWXIEA-DTWKUNHWSA-N 299.327 -0.466 50 20 CBGD C=C[C@@](C)(O)CC(=O)NNC(=O)N1CCN(C)CC1 811421670 SFELSTOVNDXWCN-GFCCVEGCSA-N 270.333 -0.698 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@H]1CC[C@H]1C(N)=O 816823893 JTUGPSIBPVONFD-SFYZADRCSA-N 264.285 -0.702 50 20 CBGD CC1(C)CN(CC(=O)NNC(=O)C2CC2)C[C@H](CO)O1 817279427 NUVVMYAHVHAKPM-SNVBAGLBSA-N 285.344 -0.985 50 20 CBGD Cn1nnnc1SCCC(=O)NNC(=O)CC1CC1 819104595 PPVFBMQRIYYJMQ-UHFFFAOYSA-N 284.345 -0.360 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCOC[C@@H]1C1CC1 828557080 YQJBGSDEDKQCTE-LLVKDONJSA-N 269.345 -0.099 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](CCN)C1 843378290 NKSRDOZYBISQLP-QWRGUYRKSA-N 270.377 -0.007 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnsn1 843648065 VUMMNXMAGUWDFS-WDSKDSINSA-N 256.287 -0.276 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@]1(C)CO 852701893 GQMAOPGGWQFUKS-ZANVPECISA-N 269.345 -0.506 50 20 CBGD N#CSCCCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 854362641 VOJLIDUBVBIHFK-UHFFFAOYSA-N 292.324 -0.208 50 20 CBGD CNC(=S)N(C)NC(=O)C[C@@H]1CCCC(=O)N1 854921459 RWJHKGHJPKETHX-ZETCQYMHSA-N 258.347 -0.488 50 20 CBGD C[C@H]1COC(C)(C)CN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 858699073 INPQRTCTTPMGSS-DTWKUNHWSA-N 298.343 -0.495 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCN1C1CCCC1 862469088 YHKIDTZAKBXKPW-NSHDSACASA-N 268.361 -0.288 50 20 CBGD O=C(CCOC1CCOCC1)NNC(=O)c1cn[nH]c1 862472357 KVSRMMHAKRDPTD-UHFFFAOYSA-N 282.300 -0.244 50 20 CBGD CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 862993737 PPLIBTBOOHSLPU-SNVBAGLBSA-N 296.371 -0.371 50 20 CBGD CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)CS(C)(=O)=O 863183537 FCIQJETVMCQQTF-VIFPVBQESA-N 289.357 -0.418 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(C1)OCCO2 863875851 GWQRZKYOSSJYNC-UHFFFAOYSA-N 291.112 -0.655 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@](C)(O)C1CC1 869907745 CYFATPAMSCVNQR-LBPRGKRZSA-N 274.317 -0.652 50 20 CBGD C#CCCCC(=O)NNC(=O)c1cc(O)n(C)n1 887150475 LWESDVXQKLFQET-UHFFFAOYSA-N 250.258 -0.310 50 20 CBGD N#Cc1ccc(NNC(=O)CN2CSCC2=O)nc1 899664526 XZUUQSVJADMCOE-UHFFFAOYSA-N 277.309 -0.071 50 20 CBGD CNS(=O)(=O)c1ccccc1N1CC[C@H](B(O)O)C1 900966015 QAACWJCELVCDCZ-VIFPVBQESA-N 284.146 -0.352 50 20 CBGD COC(=O)N(C)CCCC(=O)NN(C)C[C@@H](C)O 910166061 ROWRTYYFSLZUFU-SECBINFHSA-N 261.322 -0.191 50 20 CBGD CC[C@H](C(=O)NNC(=O)c1ncccn1)N(C)C 910915351 XYZIUMSCERWSRW-MRVPVSSYSA-N 251.290 -0.422 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1cccs1 919684323 ZVVDJNNIOIZTDQ-UHFFFAOYSA-N 276.339 -0.517 50 20 CBGD CCOC(=O)N1CSC[C@H]1C(=O)NNC(=O)N(C)C 931120393 ZYTNEPJVDSSCND-ZETCQYMHSA-N 290.345 -0.180 50 20 CBGD O=C1CSC[C@@H](C(=O)NNc2ccccn2)N1 935259968 DRYVYSSKXVLREO-ZETCQYMHSA-N 252.299 -0.244 50 20 CBGD COC(=O)C(=O)NN[C@H](C(=O)OC)c1ccccc1F 1116538437 NQPPVWAWESNDAO-VIFPVBQESA-N 284.243 -0.166 50 20 CBGD Cn1cnc(C=NNC(=O)Cc2cc(O)nc(S)n2)c1 1256377047 UWUTVIFALYNPER-UHFFFAOYSA-N 292.324 -0.103 50 20 CBGD Cc1noc(C)c1[C@H](C)C(=O)NNC(=O)C(=O)NC1CC1 1318102487 VUEYWCUNDCPKIK-LURJTMIESA-N 294.311 -0.179 50 20 CBGD C[C@@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 1318967942 GSAIRHSSKZCDOJ-VXNVDRBHSA-N 289.357 -0.450 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CCc2c[nH]nc2C1 1320106416 JFYXGISRFAVVAV-QMMMGPOBSA-N 288.311 -0.372 50 20 CBGD Cn1ccnc(NNC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)c1=O 1320768386 SSJUZOBUJXKXJU-DTWKUNHWSA-N 293.327 -0.485 50 20 CBGD Cn1cc(CNC(=O)NNC(=O)Cc2cccnc2)cn1 1321377195 PMQZXAHKHJPYFC-UHFFFAOYSA-N 288.311 -0.112 50 20 CBGD Cc1n[nH]cc1C=NNC(=O)[C@H]1CCS(=O)(=O)C1 1323087452 GOTVJDRYBFMBLD-QMMMGPOBSA-N 270.314 -0.397 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)C(=O)NCC1CC1 1325261637 HTDHTPOJMHUHRG-UHFFFAOYSA-N 277.284 -0.818 50 20 CBGD CN(C)N(C(=O)c1ccc(C=O)[nH]1)[C@H]1CCS(=O)(=O)C1 1326112316 PIUSKSHMYKWAET-JTQLQIEISA-N 299.352 -0.067 50 20 CBGD Cc1nn(C)c(C)c1C=NNC(=O)[C@H]1CCC(=O)N1 1329558345 UYXGCTYADQGNCD-SNVBAGLBSA-N 263.301 -0.234 50 20 CBGD CC(C)[C@@H]1C[C@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 1334793896 BBFGFVZKQDWPSA-MXWKQRLJSA-N 297.355 -0.136 50 20 CBGD COc1ccc2c(c1)C(=NNC(=O)CCO)C(=O)N2 1339925907 SGHCCNLKLZXUCG-UHFFFAOYSA-N 263.253 -0.150 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC(C)(C)CCC#N 1342635987 DEHJIFHVUPQWSS-UHFFFAOYSA-N 270.289 -0.180 50 20 CBGD O=C(NNc1nc[nH]n1)C1CCN(c2cnccn2)CC1 1347710400 XOIZRDBDNXQHLS-UHFFFAOYSA-N 288.315 -0.046 50 20 CBGD Cn1ncc(C2CC2)c1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1348389996 XHVPXMDGYGFCET-SECBINFHSA-N 291.311 -0.663 50 20 CBGD O=C(NCc1cccnc1)c1cccc(B(O)O)c1 1503997218 VMOKEAXUUOLHGU-UHFFFAOYSA-N 256.070 -0.309 50 20 CBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNc1ncccn1 1518874559 NPNYQVYEJCABPE-NXEZZACHSA-N 262.317 -0.692 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCCN 1573698355 AHLVMTMAFSKHPX-UHFFFAOYSA-N 258.322 -0.823 50 20 CBGD CCNC(=O)N(C)NC(=O)CCNC(=O)[C@H](N)C(C)C 1577793930 WSUVVPIDYGDGRE-SNVBAGLBSA-N 287.364 -0.832 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CO[C@H](CCC(=O)O)C1 1588795852 MUNYQQQHWZGOOM-JGVFFNPUSA-N 288.300 -0.825 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN[C@@H](C(=O)O)C1CC1 1589693652 UFTITFQGTBBTRV-SECBINFHSA-N 271.317 -0.367 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cc(-c2nn[nH]n2)ccc1F 1589882509 OXEGMFRTHCELNU-SSDOTTSWSA-N 294.290 -0.037 50 20 CBGD CCOCC(=O)NNC(=O)Nc1ccnc(C(=O)O)c1 1591878091 WQBYALPIVMSWQK-UHFFFAOYSA-N 282.256 -0.031 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H](C(=O)O)C1CCCC1 1593692051 NRCDYPONQNMMHJ-SNVBAGLBSA-N 271.317 -0.414 50 20 CBGD CS(=O)(=O)CC(=O)NN=CCCCC(=O)O 1594164039 PABXUEXSEZOLHF-UHFFFAOYSA-N 250.276 -0.612 50 20 CBGD CC[C@@H](C)N(CC(=O)O)C(=O)c1cc(B(O)O)ccc1F 1594975353 CZUZEDCTJSFFDA-MRVPVSSYSA-N 297.091 -0.169 50 20 CBGD O=C(NC[C@H]1C[C@H]1C(=O)O)NNC(=O)c1cnsn1 1601527800 KHROZFHDYWZYOI-RFZPGFLSSA-N 285.285 -0.797 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@H]1CCCO1 1606858501 ULEFSFMATQKOBS-MRVPVSSYSA-N 275.272 -0.116 50 20 CBGD Cc1cnn(CC(=O)NNC(=O)NCC2CC2)c1 49166287 LGAXDYJLGOFIDC-UHFFFAOYSA-N 251.290 -0.068 50 20 CBGD CC(C)[C@@H](C(=O)NNC(=O)c1cnn(C)c1)N(C)C 152313910 JDKNONLTTITTQB-JTQLQIEISA-N 267.333 -0.233 50 20 CBGD CO[C@@H](C(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1 272610424 QSAOTHTZZUKTPD-LLVKDONJSA-N 291.307 -0.200 50 20 CBGD CC(C)[C@@H](O)C(=O)NNC(=O)NCC(F)(F)F 286121918 XXBSVPVFUMJTDV-RXMQYKEDSA-N 257.212 -0.104 50 20 CBGD CC(=O)NCC(=O)NNC(=O)COc1ccc(F)cc1 298581878 DZQOWOXRNXYTTK-UHFFFAOYSA-N 283.259 -0.512 50 20 CBGD CCOC(=O)/C(C#N)=C/NNS(=O)(=O)C(C)C 299521267 AEHXPADEAOUYQB-SOFGYWHQSA-N 261.303 -0.211 50 20 CBGD COC(=O)NNC(=O)CCCN1C(=O)NC(C)(C)C1=O 490616199 JPGDPPAULKMYMN-UHFFFAOYSA-N 286.288 -0.516 50 20 CBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNC(=O)c1ccccn1 496187904 HTPLINKCPAZPNK-HTRCEHHLSA-N 264.241 -0.661 50 20 CBGD CN(C)C(=O)CCCNC(=O)c1cc(B(O)O)ccc1F 584933257 GHCSBUSFGJANDG-UHFFFAOYSA-N 296.107 -0.896 50 20 CBGD CN(C)[C@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 584939901 MQSAUNNXSOVBDZ-NSHDSACASA-N 294.135 -0.328 50 20 CBGD Cc1nc([C@@H](C)NC(=O)c2cc(B(O)O)ccc2F)n[nH]1 584988803 FDPOVQIDKJPLNC-ZCFIWIBFSA-N 292.079 -0.577 50 20 CBGD CO[C@@H]1COCC[C@H]1CNC(=O)c1cccc(B(O)O)c1 584997597 IBBNDEFRFREJDT-WCQYABFASA-N 293.128 -0.852 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@H](F)C1 585004620 JDBGTSLGBVYUCV-NSHDSACASA-N 251.066 -0.060 50 20 CBGD COc1ccc(CNCc2ccc(B(O)O)o2)cn1 585018559 YKXOBIPRGCYJIJ-UHFFFAOYSA-N 262.074 -0.347 50 20 CBGD C[C@@H]1CCCCN1C(=O)CCNCc1ccc(B(O)O)o1 585020782 IWUPQQPECIRYBJ-LLVKDONJSA-N 294.160 -0.160 50 20 CBGD C[S@@](=O)C1(CNCc2ccccc2B(O)O)CC1 585041893 IAZYBHWMZBQBSH-GOSISDBHSA-N 267.159 -0.633 50 20 CBGD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCB(O)O 585055142 YHLJGIXVRMDMSC-UHFFFAOYSA-N 274.063 -0.806 50 20 CBGD CC[C@H](CS(=O)(=O)N1CC[C@H](B(O)O)C1)OC 585056237 LHQHPZXYMYLLLW-DTWKUNHWSA-N 265.140 -0.710 50 20 CBGD CC(C)n1cc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cn1 585058115 AJKWOQXKWVBOFH-SECBINFHSA-N 287.150 -0.299 50 20 CBGD COCCNC(=S)NNC(=O)N=c1cc[nH]cc1 726871612 DBMITYUYSGWXPS-UHFFFAOYSA-N 269.330 -0.350 50 20 CBGD CCOCCO[C@@H](C)C(=O)NNC(=O)c1c[nH]nc1C 731851616 HMKSVWITUQBMBW-VIFPVBQESA-N 284.316 -0.079 50 20 CBGD O=C(NN=C1CCCS(=O)(=O)C1)C(=O)N1CCCC1 731926513 HYRGIZQFXZMGFB-UHFFFAOYSA-N 287.341 -0.710 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc2nncn2c1 733359947 XULOUAZAPIBCGJ-UHFFFAOYSA-N 262.273 -0.948 50 20 CBGD O=C(NNC(=O)C1CC1)c1ccc(-c2nn[nH]n2)nc1 738130504 RDKJVSQALASVBU-UHFFFAOYSA-N 273.256 -0.567 50 20 CBGD CN1CC[C@@H](NC(=O)NNc2ncccn2)C1=O 739059600 QIILZXLGJQQSGC-SSDOTTSWSA-N 250.262 -0.667 50 20 CBGD CCc1cnc(NC(=O)C(=O)NNC(=O)CN(C)C)s1 756155869 WPNLXTNRBIORQC-UHFFFAOYSA-N 299.356 -0.647 50 20 CBGD CC(C)[C@H](C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758047887 OKSNOIMKRHNDDP-YUMQZZPRSA-N 279.362 -0.636 50 20 CBGD COC[C@@](C)(O)C(=O)NN=c1cc[nH]cc1Cl 768445376 ZDCSYGYZCDXOJQ-SNVBAGLBSA-N 259.693 -0.003 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccncn1 770763927 QNAGUQSKFVTKAB-UHFFFAOYSA-N 261.245 -0.025 50 20 CBGD CN(C)c1noc(CCC(=O)NNC(=O)C2CC2)n1 779578984 NZZNYGKPMHTVRO-UHFFFAOYSA-N 267.289 -0.374 50 20 CBGD CN1CCN(CC(=O)NNc2ccccc2)CC1=O 780948841 UYNMFZAUBWHZQK-UHFFFAOYSA-N 262.313 -0.096 50 20 CBGD CCOc1ncccc1C(=O)NNC(=O)C(=O)NC(C)C 787858235 RZNYLGQDXLQHPC-UHFFFAOYSA-N 294.311 -0.234 50 20 CBGD CN(C)CCOCCNC(=O)NNc1cccnn1 788014367 PPQBMIRJOZHHCW-UHFFFAOYSA-N 268.321 -0.319 50 20 CBGD Cn1[nH]cnc1=NC(=O)NNc1cc(Cl)nc(N)n1 789164885 ZLRHKDZKCUDJQC-UHFFFAOYSA-N 283.683 -0.589 50 20 CBGD O=C(NNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1cnn[nH]1 796183777 FRRWAQBMDJWHRT-UHFFFAOYSA-N 292.211 -0.507 50 20 CBGD CO[C@@H](C(=O)NNC(=O)c1ccc[nH]1)c1cnn(C)c1 798844002 UVGVJQIKDLTRTR-SNVBAGLBSA-N 277.284 -0.103 50 20 CBGD O=C(Cn1cnnn1)NNC(=O)Nc1cc(F)cc(F)c1 802000095 OJMCLOUNAMJPCI-UHFFFAOYSA-N 297.225 -0.196 50 20 CBGD Cc1ncoc1C(=O)NNC(=O)N1CCN(C)CC1 807378387 AWVUYGQPKAWJAB-UHFFFAOYSA-N 267.289 -0.415 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCCSC1 810565788 IKVYDQWPDXWKEP-MRVPVSSYSA-N 273.358 -0.198 50 20 CBGD CCn1cc(-c2nn[nH]n2)c(=O)n(C/C=C/C#N)c1=O 821565512 WDCDXQIUDBVGLW-ONEGZZNKSA-N 273.256 -0.710 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CCCCS1(=O)=O 823873386 AMPXPRNGLFGOPD-SECBINFHSA-N 264.347 -0.701 50 20 CBGD COCCOCC(=O)NNC(=O)c1cc(C2CC2)nn1C 827869862 NIEDWICAXMRQBV-UHFFFAOYSA-N 296.327 -0.279 50 20 CBGD O=S(=O)(CCl)N1CCN(Cc2nc[nH]n2)CC1 846010346 FCRZBBDCLIPELZ-UHFFFAOYSA-N 279.753 -0.552 50 20 CBGD CN(CC(=O)NNc1cnnn1C)[C@@H]1CCSC1 857273200 ODRHHDDTSUWFHG-MRVPVSSYSA-N 270.362 -0.305 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CSCCS2)N1 862456670 QYXCSHRHEUUNJM-RNFRBKRXSA-N 289.382 -0.739 50 20 CBGD CC(C)OCCS(=O)(=O)NNC(=O)c1cn[nH]c1 863414464 XFVIBFOFYYUNJO-UHFFFAOYSA-N 276.318 -0.601 50 20 CBGD COC(=O)[C@H](CC1CC1)NCc1ccc(B(O)O)cc1 863889546 CWBWIKLWGMULTR-ZDUSSCGKSA-N 277.129 -0.202 50 20 CBGD COCCOCC(=O)NNC(=O)c1cnn(C2CC2)c1 869900437 CMWXBZQUVIPCBG-UHFFFAOYSA-N 282.300 -0.358 50 20 CBGD CC[C@H](SC)C(=O)NNC(=O)COCCOC 869908632 SFTMOCUIPVRXTL-QMMMGPOBSA-N 264.347 -0.062 50 20 CBGD CC[C@H]1CC[C@@H](C(=O)NNC(=O)COCCOC)O1 869909872 LBUHYJDXQRFDHG-UWVGGRQHSA-N 274.317 -0.246 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCC[C@@H]1F 872350718 DZOYMVULWBNTHH-RQJHMYQMSA-N 265.310 -0.082 50 20 CBGD COCCC1(C(=O)NNC(=O)CN2CCCC2=O)CCC1 913731644 PYXWQQLPJBVVTH-UHFFFAOYSA-N 297.355 -0.037 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CC[C@@H]1CCCO1 914719069 PRYFGVZVQAKXSG-VIFPVBQESA-N 271.317 -0.382 50 20 CBGD Cc1ccc(C(=O)NNC(=O)c2n[nH]c(O)n2)c(O)c1 918338691 AJHFPMDOCMPZAW-UHFFFAOYSA-N 277.240 -0.401 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(CCOC)cc1 919962992 VUBRYZMEFOYNIS-UHFFFAOYSA-N 287.341 -0.002 50 20 CBGD COCCCNC(=S)N(C)NC(=O)c1cc(=O)cc[nH]1 929427125 RSGHGFSBMKDQJI-UHFFFAOYSA-N 298.368 -0.138 50 20 CBGD NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1 1118975004 KWDYZOSIJAXAND-SECBINFHSA-N 298.129 -0.977 50 20 CBGD CC(=O)NNC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1 1120480140 LKFYPSFVFNVYGG-VIFPVBQESA-N 251.246 -0.920 50 20 CBGD O=C(NNC(=O)[C@@H]1[C@H]2CCC[C@H]21)[C@@H]1CCS(=O)(=O)C1 1318947915 CQZWEWSQHBYDBV-IMSYWVGJSA-N 286.353 -0.385 50 20 CBGD CC(C)NC(=S)NNC(=O)Cn1cc([C@H](C)O)nn1 1319172576 ZFWIJWPQOZMKCF-ZETCQYMHSA-N 286.361 -0.765 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CO[C@@H]1CCOC1 1320374617 NQAXSEOCRHWVOT-RKDXNWHRSA-N 288.300 -0.719 50 20 CBGD Cn1ccc(C(=O)NNC(=O)Cc2cccnc2)cc1=O 1322469300 SWJAVYOSOXHDMR-UHFFFAOYSA-N 286.291 -0.216 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@]1(C)CCOC1 1323798488 UQUZAHXVDVWUDJ-NSHDSACASA-N 259.306 -0.220 50 20 CBGD COCc1nocc1C(=O)NNC(=O)c1c[nH]nc1C 1324741634 HFLYMPJQKGXCQP-UHFFFAOYSA-N 279.256 -0.073 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCCC[C@H]1OC 1326451737 HAHCTSGRXGHNOF-HTQZYQBOSA-N 273.289 -0.553 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc2nonc2c1 1326476917 UBCCPCHUQBAHDD-UHFFFAOYSA-N 291.267 -0.492 50 20 CBGD COCCN(C)NC(=O)c1cc(CN(C)C)on1 1327661360 HQQHEBYDLCCUIR-UHFFFAOYSA-N 256.306 -0.041 50 20 CBGD CCc1cnc(O)c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 1329079532 ZPQQKUNHECWXAF-VIFPVBQESA-N 292.295 -0.611 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1CCc2c[nH]nc2C1 1329733886 BMKHNLIJPQKEEF-SECBINFHSA-N 289.299 -0.366 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2ccc(O)cc2)N1 1329755996 STGNZURRFGDSOO-JTQLQIEISA-N 292.295 -0.499 50 20 CBGD CCc1cc(CNC(=O)NNC(=O)c2cn[nH]c2)n[nH]1 1331297749 QSVJKOSXWYQRIH-UHFFFAOYSA-N 277.288 -0.161 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCn2cncc2C1 1332175009 JFMSHXIHXJUFOM-ZJUUUORDSA-N 252.318 -0.211 50 20 CBGD Cn1nccc1C(=O)NNC(=O)C1CCOCC1 1332673674 JSMKFOASQHTCLO-UHFFFAOYSA-N 252.274 -0.392 50 20 CBGD C[C@H](C(=O)NNc1nncc(N)c1Cl)S(C)(=O)=O 1333588838 VKGSXSOARLBNHX-SCSAIBSYSA-N 293.736 -0.412 50 20 CBGD C[C@H]1COC[C@H]1NC(=O)NNC(=O)C1CCNCC1 1338695925 IRWBBHJCJJVSNA-WCBMZHEXSA-N 270.333 -0.649 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1cc2n(n1)CCCC2 1342413344 ATYBWVZGUXQLAV-UHFFFAOYSA-N 295.299 -0.065 50 20 CBGD Cc1nnc(NNC(=O)C2(N(C)C)CC2)nc1O 1348468628 QINCPNSOAYRYFF-UHFFFAOYSA-N 252.278 -0.577 50 20 CBGD CC[C@@]1(C(=O)NNC(=O)C2CCOCC2)CCNC1=O 1353029736 JZTSVMVYNRAUNI-CYBMUJFWSA-N 283.328 -0.523 50 20 CBGD C[C@@]1(C(=O)NNc2nccnc2Cl)CNCCO1 1576351479 ZZWUUDQCIGZDIG-JTQLQIEISA-N 271.708 -0.048 50 20 CBGD N[C@@H]1C[C@H]2C[C@@]2(C(=O)NNC(=O)c2ccccn2)C1 1580404838 BYUHXCWNRGHOAV-IGJMFERPSA-N 260.297 -0.030 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNC(=O)OCC(F)(F)F 1593908278 GWCONGCZBZLCNX-VKHMYHEASA-N 274.151 -0.594 50 20 CBGD CO[C@@](C)(C(=O)O)C(=O)NNc1ncncc1F 1593927043 SKOVHXAKHZFFOK-SECBINFHSA-N 258.209 -0.452 50 20 CBGD O=C(Cc1ccccn1)NNC(=O)[C@]1(C(=O)O)CCCO1 1594710984 GNMWKSVNOSHGLP-ZDUSSCGKSA-N 293.279 -0.595 50 20 CBGD O=C(O)[C@H](C(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)C1CC1 1594778846 BLAVEPYCMVYZGD-RGOKHQFPSA-N 282.296 -0.188 50 20 CBGD COc1ccnc(NNC(=O)c2cnc(C(=O)O)cn2)n1 1599722163 ASIFMIKJVBVATE-UHFFFAOYSA-N 290.239 -0.270 50 20 CBGD O=C(CCc1ocnc1C(=O)O)NNC(=O)[C@H]1CCCO1 1601296391 AIIYOBWMLCXLNZ-MRVPVSSYSA-N 297.267 -0.368 50 20 CBGD CC[C@H](C)C(=O)NNS(=O)(=O)c1n[nH]cc1C(=O)O 1604919369 UGEJBJKZURNVPX-YFKPBYRVSA-N 290.301 -0.537 50 20 CBGD Cc1cc(C(=O)NNC(=O)N2CCOCC2)oc1C(=O)O 1607579875 ARJAXEVDIHSWAB-UHFFFAOYSA-N 297.267 -0.027 50 20 CBGD O=C(NCCNC(=O)C1CC1)NNc1ncccn1 43308751 URTGZMKDOSVRFJ-UHFFFAOYSA-N 264.289 -0.371 50 20 CBGD CNC(=O)c1ccc(C(=O)NN(C)CCOC)cn1 293554300 HIWOOVMPPRKGQO-UHFFFAOYSA-N 266.301 -0.336 50 20 CBGD C#CCO[C@@H](C)C(=O)NNC(=O)COc1ccccc1O 294501883 FOUYJNOZIVLUOJ-JTQLQIEISA-N 292.291 -0.043 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1ccncn1 495531228 VAWZKINRWPRIIA-UHFFFAOYSA-N 295.299 -0.238 50 20 CBGD CO[C@@H](CNC(=O)c1cc(B(O)O)ccc1F)C1CC1 584994362 HNLNZJPPDSMNMN-LBPRGKRZSA-N 281.092 -0.340 50 20 CBGD O=C1CC[C@H](NCc2ccc(B(O)O)o2)C2(CCC2)N1 585041054 CDGFGGOWPSWJSZ-JTQLQIEISA-N 278.117 -0.750 50 20 CBGD O=C(NCB(O)O)c1ccc(N2CCCC2=O)cc1 585056673 UBRLZIZPAZAXTF-UHFFFAOYSA-N 262.074 -0.445 50 20 CBGD C[C@@]1(C(=O)NCB(O)O)COc2ccccc2O1 585063291 WLZYUHGVQUYHTB-NSHDSACASA-N 251.047 -0.655 50 20 CBGD C[C@@H]1CN(c2ccc(C(=O)NCB(O)O)cn2)C[C@@H](C)O1 585063342 XAAGWEHJYPIXAX-NXEZZACHSA-N 293.132 -0.563 50 20 CBGD CN(N)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 704635653 PGBWVJPJMQCLFX-UHFFFAOYSA-N 257.315 -0.117 50 20 CBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(N)=O)c1 705982394 ZXODVJWWIICIIW-UHFFFAOYSA-N 286.313 -0.750 50 20 CBGD CC(C)(C)OC(=O)NNC(=S)NCCS(C)(=O)=O 729157749 ICBPUNYPPIZXAH-UHFFFAOYSA-N 297.402 -0.065 50 20 CBGD O=C(NNC(=O)C1CCSCC1)C(=O)N1CCCC1 732956677 KAWHPKKDDQAROD-UHFFFAOYSA-N 285.369 -0.101 50 20 CBGD CC(=O)NNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)O)C1 738550730 SSBOGCSBBKEFCK-NSHDSACASA-N 290.279 -0.127 50 20 CBGD Cc1noc(CCCC(=O)NNC(=O)N2CCOCC2)n1 745985960 FJORRAIFRCRTMK-UHFFFAOYSA-N 297.315 -0.226 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NNC(=O)c1ncccn1 746100223 HETFHEGZJBMKIT-JTQLQIEISA-N 293.327 -0.794 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)c2nc[nH]n2)c1 746161312 PIASFOLHIRDTSR-UHFFFAOYSA-N 256.225 -0.249 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)Cc1cc(C)on1 746292816 PJDZFKJRSGITBB-UHFFFAOYSA-N 296.327 -0.022 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(C)(O)CC1 759765490 BLJGWAOONUJOMH-VIFPVBQESA-N 257.334 -0.221 50 20 CBGD Cc1cccnc1NNC(=O)NCc1nnn(C)n1 787900084 LSTMJSIZVRKIHU-UHFFFAOYSA-N 262.277 -0.260 50 20 CBGD CSSCCNC(=O)NCCNS(C)(=O)=O 790666539 DKYVYPIBNQWEOW-UHFFFAOYSA-N 287.432 -0.154 50 20 CBGD CC(C)(C)C(=O)NNC(=O)C1(S(C)(=O)=O)CC1 792056415 HJHUUBQNAFHGLJ-UHFFFAOYSA-N 262.331 -0.243 50 20 CBGD COC(=O)CNC(=O)NN=C(C)C[C@@H]1CCC(=O)N1 811647528 PWAJKCJAJFGDBC-QMMMGPOBSA-N 270.289 -0.497 50 20 CBGD CCC(=O)N1CC[C@@H](C(=O)NN(CC)CCO)C1 823869996 UZOCYGAKYRPALH-SNVBAGLBSA-N 257.334 -0.410 50 20 CBGD C[C@@H](CO)N(C)NC(=O)Cc1nnn(C(C)(C)C)n1 823913525 WALLBKWEAGGAOU-QMMMGPOBSA-N 270.337 -0.686 50 20 CBGD O=C(CCn1cncn1)NNc1ccc(-c2nn[nH]n2)cc1 826409568 FYGJFOWCPRNEBU-UHFFFAOYSA-N 299.298 -0.008 50 20 CBGD O=C(NNC(=O)c1ccc[nH]1)NC1CN(C(=O)O)C1 831742629 LXXGPJFQBAYLSY-UHFFFAOYSA-N 267.245 -0.679 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@@H]1CC[C@@H](C)O1 838745644 PVGZIGNUEDPMKS-BDAKNGLRSA-N 259.306 -0.079 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)N1CCCC1 842592867 PTGUEJBNUCISCC-RKDXNWHRSA-N 277.346 -0.627 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1=NN(C)C(=O)CC1 843647259 YCYLSWHOCWHEAP-YUMQZZPRSA-N 282.300 -0.833 50 20 CBGD C=CCn1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)nn1 843657165 DJFPGXKJKPSVBW-BDAKNGLRSA-N 279.300 -0.350 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CN2CCNCC2)cc1 844217988 JYXYODXVQCWWER-UHFFFAOYSA-N 276.340 -0.339 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CCCS(=O)(=O)C1 845075413 BTVJLOCFEQAGBL-QMMMGPOBSA-N 291.398 -0.508 50 20 CBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1nc2ccccn2n1 847891909 KPUHPNMIXWLINH-HTQZYQBOSA-N 274.284 -0.316 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CCC[C@H](C(N)=O)C1 854920922 WDVCUQYIMKVGMK-YUMQZZPRSA-N 272.374 -0.255 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H](O)c1cccnc1 854921643 VCDQROAHZDYPIH-MRVPVSSYSA-N 254.315 -0.418 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cc[nH]n1)[C@@H](C)S(C)(=O)=O 855355916 CHZPSXBPTUJMGI-RNFRBKRXSA-N 288.329 -0.760 50 20 CBGD CCOC(=O)c1[nH]c(C)c(C=NNC(=O)C(N)=O)c1C 863065902 NXFKZWDVLBUIHC-UHFFFAOYSA-N 280.284 -0.256 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1occ2c1CCC2 863466658 XDAGJMDTKNHROT-UHFFFAOYSA-N 286.309 -0.426 50 20 CBGD OB(O)[C@@H]1CCN(c2cc(-n3ccnc3)ncn2)C1 864233786 MGALLDGOPIPGMU-SECBINFHSA-N 259.078 -0.285 50 20 CBGD C=C/C=C/CCNC(=O)NNC(=O)C(=O)NC1CC1 883913409 UKQYQXLERMWDTG-ONEGZZNKSA-N 266.301 -0.272 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 906417528 LWGSSTUEMAQEHP-FXBDTBDDSA-N 251.286 -0.048 50 20 CBGD Cc1cc(O)cc(=O)n1CCC(=O)NN(C)C[C@@H](C)O 910167349 VNZXUPDLVBFEIT-SNVBAGLBSA-N 283.328 -0.404 50 20 CBGD CCNC(=O)NNC(=O)CCn1ccccc1=O 920858405 IBDYWBHAUKDZIA-UHFFFAOYSA-N 252.274 -0.411 50 20 CBGD Cn1cccc1C(=O)NNC(=O)C[C@@H]1COC(=O)C1 1116286222 NUYIOJMNWJVQHR-QMMMGPOBSA-N 265.269 -0.261 50 20 CBGD C[C@H](O)CN(C)NC(=O)CSc1cccc[n+]1[O-] 1262178364 ZFGZRTCHAMXWNH-VIFPVBQESA-N 271.342 -0.244 50 20 CBGD CNC(=O)NNC(=O)c1nnc2ccccc2c1O 1318631332 BCEUJDCRMYAKGN-UHFFFAOYSA-N 261.241 -0.091 50 20 CBGD COCCC1(CNC(=O)NNC(=O)C(=O)NC2CC2)CC1 1319262459 MEAXBVWJXHPRPT-UHFFFAOYSA-N 298.343 -0.588 50 20 CBGD COC1(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CCC1 1319964907 SJZAWHBAAIFZTL-MRVPVSSYSA-N 290.341 -0.862 50 20 CBGD COCCN(C)NC(=O)Cc1nc2ncccn2n1 1323622687 TXTIAGSSUMMSRD-UHFFFAOYSA-N 264.289 -0.724 50 20 CBGD CCOCCONC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1326295136 GVRXSZRHMZIKMX-BDAKNGLRSA-N 275.305 -0.290 50 20 CBGD CC(C)C(=O)NNC(=O)NC[C@H]1CN(C)CCN1C 1327716993 AYCJNIPFQUDTLC-JTQLQIEISA-N 271.365 -0.781 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1328894760 DVFVPMLDZOYHPO-VGMNWLOBSA-N 260.290 -0.780 50 20 CBGD Cc1ncsc1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331520967 MYFPYYDAAYNYJT-ZETCQYMHSA-N 297.340 -0.439 50 20 CBGD Cn1nc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1Cl 1331692543 ZFFXUZRNRPKWKR-YFKPBYRVSA-N 285.691 -0.887 50 20 CBGD O=C(c1cnn2ccncc12)N1CC[C@H](B(O)O)C1 1331826771 MKNHFEQBZQSMQS-QMMMGPOBSA-N 260.062 -0.582 50 20 CBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(C)c1 1343339410 AOAPAZMGCKFLTM-UHFFFAOYSA-N 297.242 -0.607 50 20 CBGD NC(=O)C(=O)NN=C1CCCc2c1cnn2-c1ncccn1 1343774144 PZMZQRBHWNPJRY-UHFFFAOYSA-N 299.294 -0.696 50 20 CBGD Cc1nnc(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)s1 1347804036 CHBRQCNTGVZZEJ-POYBYMJQSA-N 284.341 -0.039 50 20 CBGD CO[C@H]1CN[C@H](C(=O)NNC(=O)c2ccc(Cl)nc2)C1 1574006423 KCPZJBMLZYGUNO-BDAKNGLRSA-N 298.730 -0.127 50 20 CBGD C[C@H](CCCN)NC(=O)NNC(=O)c1ccc(=O)n(C)c1 1575952809 QUVOCPBPIIHTRI-SECBINFHSA-N 295.343 -0.543 50 20 CBGD CCCNC(=O)NNC(=O)[C@]1(C)C[C@H](N)CCO1 1577545434 VRPZHSIZUXFEKG-KCJUWKMLSA-N 258.322 -0.377 50 20 CBGD CN1C[C@H](C(=O)NNC(=O)Nc2ccccc2)NCC1=O 1578518607 BYVDDHQOWNFQFI-SNVBAGLBSA-N 291.311 -0.731 50 20 CBGD NCCC(=O)NNC(=O)[C@@H]1CCOC2(CCC2)C1 1580281676 LJGRJMJFGIAJTE-SECBINFHSA-N 255.318 -0.168 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@@H](C(=O)O)C1CC1 1594710903 CWBMXSWNRKNZCI-NSHDSACASA-N 277.280 -0.118 50 20 CBGD C[C@](C#N)(CC(=O)O)C(=O)NNC(=O)c1cnsn1 1602781604 DWJNZVSXBZMZAA-SECBINFHSA-N 283.269 -0.696 50 20 CBGD CC(=O)NNC(=O)c1cc(F)c(-c2nn[nH]n2)c(F)c1 1602949093 ZACIFPDGSLSZFA-UHFFFAOYSA-N 282.210 -0.074 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1 1605709071 MLTNMLCULGWWDC-JGVFFNPUSA-N 280.284 -0.400 50 20 CBGD O=C(NNC(=O)C12CC(C(=O)O)(C1)C2)C1CCOCC1 1608477875 OSYNJFAWQKRTFN-UHFFFAOYSA-N 282.296 -0.185 50 20 CBGD NC[C@H](N)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2 1843349321 PZVSGWVWMRPONL-JGVFFNPUSA-N 292.742 -0.990 50 20 CBGD CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)C(O)O)C2 1845162575 ATJSZYAFJGXYQX-QMMMGPOBSA-N 290.747 -0.482 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 7436691 SHLAWGFCYDBSAC-NSHDSACASA-N 291.307 -0.338 50 20 CBGD Cc1cccc(OCC(=O)NNC(=O)[C@@H]2COCCO2)c1 47954694 GDWQOLFWWJXUFU-LBPRGKRZSA-N 294.307 -0.063 50 20 CBGD O=C(CN1CC[C@H](O)C1)NNC(=O)c1ccccc1 61708416 PVTFDZFHWZVKNI-NSHDSACASA-N 263.297 -0.486 50 20 CBGD CN1CCO[C@H](C(=O)NNc2ncccc2F)C1 286012502 PCZIPAMRJMKYSJ-VIFPVBQESA-N 254.265 -0.006 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@@H]1CCCN(O)C1=O 491081574 HBQBLYICSWDGKO-FCZSHJHJSA-N 253.258 -0.073 50 20 CBGD O=C(NC[C@@H]1CCCO1)c1ccc(B(O)O)c(F)c1 584923226 DXQMLBNWPOJUFI-VIFPVBQESA-N 267.065 -0.586 50 20 CBGD O=C(NC[C@@H]1CCN(C2CC2)C1)c1ccc(B(O)O)cc1 584932962 CJUFICKTXHSJLO-NSHDSACASA-N 288.156 -0.420 50 20 CBGD COC[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584949100 GHDMCTBLEREXFC-SECBINFHSA-N 281.092 -0.386 50 20 CBGD CC[C@](C)(CO)NC(=O)c1ccc(B(O)O)cc1 584967463 KATJJNZOKIKMLP-GFCCVEGCSA-N 251.091 -0.743 50 20 CBGD COCC[C@H]1COCCN1C(=O)c1cccc(B(O)O)c1 584992048 JYNLQNJXFNBAQT-ZDUSSCGKSA-N 293.128 -0.756 50 20 CBGD C[C@H](Cn1cccn1)NCc1ccc(B(O)O)cc1 585018571 YSTBBHNFNSIWJN-LLVKDONJSA-N 259.118 -0.259 50 20 CBGD COCC[C@@](C)(O)CNCc1ccc(B(O)O)cc1 585023151 HDLHTCZFJPVTQP-CYBMUJFWSA-N 267.134 -0.757 50 20 CBGD OCCC1(CNCc2cccc(B(O)O)c2)CCOCC1 585030022 CWRQKUZZBRZJGR-UHFFFAOYSA-N 293.172 -0.365 50 20 CBGD CC(C)C(=O)NCCNCc1ccccc1B(O)O 585032102 BCRLSGFOUFIJSK-UHFFFAOYSA-N 264.134 -0.772 50 20 CBGD CCNC(=O)C1(NCc2ccc(B(O)O)o2)CCCCC1 585033018 UOTXBJVEXQECCA-UHFFFAOYSA-N 294.160 -0.112 50 20 CBGD C[C@@H](CO)CCCNCc1cccc(B(O)O)c1 585033880 HJYHHWRXMZPKRH-LLVKDONJSA-N 251.135 -0.135 50 20 CBGD CO[C@@H]1CCC[C@@H]([C@H](CO)NCc2ccc(B(O)O)o2)C1 585047517 QLMHFCLYZHAILP-WZRBSPASSA-N 297.160 -0.385 50 20 CBGD COc1cc(C(=O)NCB(O)O)c2ccccc2n1 585062772 MYLLGSZYQPRECJ-UHFFFAOYSA-N 260.058 -0.015 50 20 CBGD CCNC(=O)c1ccc(N2CC[C@@H](B(O)O)C2)nc1 585074125 UTKBXFQPGSAUOR-SNVBAGLBSA-N 263.106 -0.116 50 20 CBGD O=C(c1cn(-c2ccccc2)nn1)N1CC[C@@H](B(O)O)C1 585074747 CJMNKZAEJRFZRM-SNVBAGLBSA-N 286.100 -0.044 50 20 CBGD Cc1nc2ccccn2c1C(=O)NNC(=O)CN(C)C 727367329 KQKPWKFBIZQFRZ-UHFFFAOYSA-N 275.312 -0.035 50 20 CBGD CC(C)CNC(=S)NNC(=O)[C@H]1CCS(=O)(=O)C1 730595886 AKILUPLDDQSODZ-QMMMGPOBSA-N 293.414 -0.428 50 20 CBGD O=C(O)CCS(=O)(=O)NNC(=O)c1ccccc1F 739743716 VFNXXMXODFEXFV-UHFFFAOYSA-N 290.272 -0.135 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNc1ccnc(N(C)C)n1 740114325 UHXCINVNOYUWRA-MRVPVSSYSA-N 280.332 -0.100 50 20 CBGD O=C(NNc1ncnc2[nH]cnc12)c1cnsn1 743471751 ULBJQSLAEWGJOV-UHFFFAOYSA-N 262.258 -0.039 50 20 CBGD O=C(NNC(=O)c1ccc(F)cc1O)C(=O)NC1CC1 750530497 QUIZCEVKRQBEPR-UHFFFAOYSA-N 281.243 -0.429 50 20 CBGD C[C@H](C(=O)NNC(=O)N(C)C)N1CCSCC1 750857116 RJTIDRYZMFXWNH-MRVPVSSYSA-N 260.363 -0.274 50 20 CBGD CC(=O)N[C@@H](CC(=O)NNC(=O)CO)c1ccc(C)cc1 753439553 PUXXFDQLHZCEPL-LBPRGKRZSA-N 293.323 -0.298 50 20 CBGD O=C(NNC(=O)C1(O)CCCCC1)C(=O)N1CCCC1 754995354 ZLTZXOCCHYCUPN-UHFFFAOYSA-N 283.328 -0.549 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cn(C)nc1C 772133672 UKZQOJDNVIMLTC-QMMMGPOBSA-N 282.300 -0.169 50 20 CBGD CC[C@@H](C)N(CCO)CC(=O)NNC(=O)C1CC1 805789319 AUJFFJJNGLUDCL-SECBINFHSA-N 257.334 -0.363 50 20 CBGD COCCCNC(=O)NN=Cc1cnn(C)c1N 814820086 WRSCAISAWKLELR-UHFFFAOYSA-N 254.294 -0.328 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1COc2ccccc21 814835696 YQFGFERVALFPAD-QMMMGPOBSA-N 297.336 -0.163 50 20 CBGD O=C(C[C@H]1CC(=O)N1)NNC(=O)NCCc1cccs1 823810655 PLCMHYDISNJGRY-MRVPVSSYSA-N 296.352 -0.100 50 20 CBGD C[C@@H](C(=O)NN(C)[C@H](C)CO)N1CCSCC1 823947236 UVKFYMFHKVHKMD-ZJUUUORDSA-N 261.391 -0.233 50 20 CBGD CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843643540 IKNRGNDSCNYREO-ADEWGFFLSA-N 297.355 -0.040 50 20 CBGD COCCN(C)NC(=O)c1oc(S(N)(=O)=O)cc1C 854412807 MTQOMSSDXZWYNX-UHFFFAOYSA-N 291.329 -0.542 50 20 CBGD CCS(=O)(=O)N[C@H](C)C(=O)NNc1ncccc1F 854415286 FPULKAOWDLVVKE-SSDOTTSWSA-N 290.320 -0.008 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H]1CCN(C2CC2)C1 858280986 AOMKXVRAFQIBLE-VIFPVBQESA-N 278.316 -0.410 50 20 CBGD Cc1ccn(C)c1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862461407 OXKBLLMUAHXNCA-QMMMGPOBSA-N 264.285 -0.627 50 20 CBGD NC(=O)C(=O)NN=Cc1ccc(Br)o1 864537317 ZMLPZFQDYMQWED-UHFFFAOYSA-N 260.047 -0.023 50 20 CBGD Cn1nnc(CNS(=O)(=O)CC(C)(C)CCl)n1 867203438 SYENZBRGWAIGST-UHFFFAOYSA-N 281.769 -0.106 50 20 CBGD O=C1CO[C@H]2CCN(S(=O)(=O)CCCCl)C[C@@H]2N1 882246591 STJLYMZMVHGHGC-IUCAKERBSA-N 296.776 -0.466 50 20 CBGD CCONC(=O)CNS(=O)(=O)CCCCl 882322034 DCAWLBAFRKAFKQ-UHFFFAOYSA-N 258.727 -0.398 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)Cc1nc[nH]n1 899997967 BVXBSKFCJMMLLG-UHFFFAOYSA-N 256.335 -0.359 50 20 CBGD COCCOCC(=O)NNC(=O)[C@]1(OC)CCSC1 913432995 CXTAZWPHVTZCTK-NSHDSACASA-N 292.357 -0.681 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)C2CCCCC2)N1 913597100 RCYDDSKTFDWORM-SECBINFHSA-N 253.302 -0.007 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCC[C@H]1C1OCCO1 933900757 LTEFELDETTVSQA-JTQLQIEISA-N 285.344 -0.373 50 20 CBGD CCNC(=O)NNC(=O)c1ccc2nnc(O)n2c1 1116410359 DQSGIFSTBWTRCZ-UHFFFAOYSA-N 264.245 -0.601 50 20 CBGD COC(=O)Cc1cccc(NC(=O)C(=O)NNC(C)=O)c1 1116618244 OBOUQOMKLDKGFF-UHFFFAOYSA-N 293.279 -0.492 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)C(=O)NCC2CC2)n1 1255625192 OZTMKHOHQHEGOM-UHFFFAOYSA-N 284.707 -0.319 50 20 CBGD O=C(NNC(=S)NCC1CCC1)c1ncon1 1262383310 VJJGSVIZORDZAU-UHFFFAOYSA-N 255.303 -0.021 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)c1cccc[n+]1[O-] 1319334424 SURUDFBVBPRIAZ-UHFFFAOYSA-N 272.264 -0.281 50 20 CBGD O=C(NNC(=O)[C@]1(F)CCOC1)C(=O)Nc1ccccn1 1324048082 XFNKNIOBARMSKP-LBPRGKRZSA-N 296.258 -0.704 50 20 CBGD O=C(CN1C(=O)CNC1=O)NNc1cccc([N+](=O)[O-])c1 1324281198 OKYDIOACKYTBRX-UHFFFAOYSA-N 293.239 -0.410 50 20 CBGD CN(C)CCn1ccc(C(=O)NN(C)C(N)=O)n1 1329904647 MFGZUUAYXQQUOU-UHFFFAOYSA-N 254.294 -0.900 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCc2nnn(C)c2C1 1334201820 KAEMMXRKYVBZBJ-BDAKNGLRSA-N 267.333 -0.736 50 20 CBGD CN(NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C1CC1 1339051265 YSYYJCCTDDHYSN-VIFPVBQESA-N 273.333 -0.003 50 20 CBGD Cc1nn(C)c(C)c1C(=O)NNC(=O)CN1CCCC1=O 1339723517 PUYJCIALLQFNDU-UHFFFAOYSA-N 293.327 -0.580 50 20 CBGD CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1cn[nH]c1 1351343616 PLYMSTKUTXAUFF-RKDXNWHRSA-N 294.315 -0.732 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CC3CCC2CC3)N1 1351351195 BHCLBEANNRYKHD-RTBKNWGFSA-N 280.328 -0.120 50 20 CBGD O=C(NN=Cc1csnn1)[C@H]1CN2CCC[C@@H]2CO1 1549319590 WARPVSWLWCAYPC-NXEZZACHSA-N 281.341 -0.149 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1C[C@H](C(F)(F)F)CN1 1576036750 KLUKZTAUOUVZGI-FXQIFTODSA-N 269.267 -0.129 50 20 CBGD COc1cc(C=NNC(N)=O)ccc1-c1nn[nH]n1 1591522125 AUNMYOVOHUVWCT-UHFFFAOYSA-N 261.245 -0.123 50 20 CBGD CNC(=S)N(C)NC(=O)CSCC(=O)O 1593797553 OMMCKTPDKWQKCV-UHFFFAOYSA-N 251.333 -0.729 50 20 CBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 1593927253 VDKWMPQWLPARKA-OKTBNZSVSA-N 274.273 -0.809 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CCOCC1)[C@H]1CCCO1 1594783221 WPANPEQOZDUICQ-MRVPVSSYSA-N 286.284 -0.806 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2C[C@@H](C(=O)O)C2)n1C 1600798368 GYQHODCYICKIQP-KNVOCYPGSA-N 253.262 -0.323 50 20 CBGD O=C(NCCOc1ncccc1F)NNC(=O)C(=O)O 1601506829 TXSLDLDZPJUUCZ-UHFFFAOYSA-N 286.219 -0.986 50 20 CBGD O=C(NNC(=O)c1cc[nH]n1)Nc1ccc(C(=O)O)cn1 1601555537 GSTWSQJPCRXHFY-UHFFFAOYSA-N 290.239 -0.031 50 20 CBGD CC(=NNC(=O)[C@@H]1CCCCO1)c1cn(CC(=O)O)nn1 1602737277 KXCJHAJUGYZDQF-JTQLQIEISA-N 295.299 -0.228 50 20 CBGD COC(=O)NNC(=O)COc1ccccc1-c1nn[nH]n1 1604950604 GFVVTXAKXKHBQJ-UHFFFAOYSA-N 292.255 -0.367 50 20 CBGD C[C@H](C[S@](C)=O)N(C)CC(=O)NNC(=O)C1CC1 125905169 RPUYJCIWZOCSMA-NTCNTBNZSA-N 275.374 -0.757 50 20 CBGD C[C@H]1C[C@H]1C(=O)NNC(=O)CNC(=O)c1ccco1 156891192 FOKPIEWOUCQUFU-JGVFFNPUSA-N 265.269 -0.187 50 20 CBGD O=C(NNC(=O)N1CCS(=O)(=O)CC1)c1ccccc1 264106530 LZESGEVIHOKASE-UHFFFAOYSA-N 297.336 -0.229 50 20 CBGD CCOC(=O)/C(C#N)=C/NC[C@@H]1CC[C@H](C(N)=O)O1 268337244 BTXYEYSNYJSZRZ-JSJQHLISSA-N 267.285 -0.421 50 20 CBGD CC(C)(C)[C@H](NC(N)=O)C(=O)NNC(=O)C1CC1 282640060 KKUFPDOHSXBRCF-SSDOTTSWSA-N 256.306 -0.373 50 20 CBGD C[C@H](CNC(=O)c1ccc(B(O)O)cc1)CN1CCCC1 584932900 ZZAOOFNZMNBWLX-GFCCVEGCSA-N 290.172 -0.172 50 20 CBGD O=C(N[C@@H]1CCCC[C@H]1CO)c1cc(B(O)O)ccc1F 584959290 FUHDUZKMSLKFNP-TVQRCGJNSA-N 295.119 -0.214 50 20 CBGD CC(C)(C)[C@@H](CO)NC(=O)c1ccc(B(O)O)cc1 584972717 FHCIMWNMBWFFJN-LLVKDONJSA-N 265.118 -0.497 50 20 CBGD CN1C[C@@H](N(C)C(=O)c2ccc(B(O)O)cc2)CCC1=O 584991952 GSMJUAPULHYCEX-LBPRGKRZSA-N 290.128 -0.941 50 20 CBGD C[C@@H]1C[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H](C)O1 585001994 JTTHCWPPMQNILY-CKYFFXLPSA-N 277.129 -0.090 50 20 CBGD CC1(C)C(=O)Nc2ccc(S(=O)(=O)NCB(O)O)cc21 585055665 GRARTNRTCZMFKA-UHFFFAOYSA-N 298.129 -0.793 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(C(=O)OC)CC1 732194853 AVIJTAMTRUSYER-SECBINFHSA-N 285.344 -0.183 50 20 CBGD Cc1nnc(NNC(=O)[C@@H]2CCCCN2C)nc1O 732264385 RADQNIDQGAYWBX-QMMMGPOBSA-N 266.305 -0.187 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)CN1CCC(=O)NC1=O 732286358 RRBRWAXNCALMHN-UHFFFAOYSA-N 284.316 -0.488 50 20 CBGD CN(NC(=O)NCCN1C(=O)CNC1=O)c1ccccc1 733352126 UANJDXKPEALVEH-UHFFFAOYSA-N 291.311 -0.111 50 20 CBGD O=C(NNc1cnccn1)[C@@H]1CC(=O)N(C2CC2)C1 734245460 FIONKLBFSAVSMS-MRVPVSSYSA-N 261.285 -0.069 50 20 CBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)N(C)C)c[nH]1 743255745 JITOPIQONTVTEF-UHFFFAOYSA-N 290.301 -0.734 50 20 CBGD COC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)CN(C)C)C1 751061162 VXAOUONOFHLPMP-UWVGGRQHSA-N 285.344 -0.325 50 20 CBGD CC1(NC(=S)NNC(=O)N2CCOCC2)CC1 789212984 PMTZNIFVCYZBKR-UHFFFAOYSA-N 258.347 -0.040 50 20 CBGD COCc1cnc(NC(=O)NNC(=O)CO)s1 806611325 REFAZRSMHRAQNX-UHFFFAOYSA-N 260.275 -0.566 50 20 CBGD COc1cnc(C(=O)NNC(=O)C(C)(C)O)nc1 816360600 YRXDQAOLKDIHLB-UHFFFAOYSA-N 254.246 -0.983 50 20 CBGD C[C@H](CO)N(C)NC(=O)C(C)(C)NC(=O)C(F)(F)F 823929392 YAFSGMNWCZSINL-ZCFIWIBFSA-N 285.266 -0.213 50 20 CBGD COC(=O)COCC(=O)NNC(=O)NC1CCCC1 824350227 YQJBTPBCLIXRJH-UHFFFAOYSA-N 273.289 -0.551 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc(C(=O)O)cc1 825879280 OZBHEQWQDFNCNU-UHFFFAOYSA-N 258.255 -0.286 50 20 CBGD CCN1C[C@H](NC(=O)NNc2ncccn2)CC1=O 838672414 DCIIMWFKSHPPJP-MRVPVSSYSA-N 264.289 -0.277 50 20 CBGD Cc1ncc(S(N)(=O)=O)cc1C(=O)NNC(=O)C1CC1 847285923 YZIALXCDJPGHDB-UHFFFAOYSA-N 298.324 -0.792 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)[C@H]2CC[C@H]2C(N)=O)cc1 847405391 IXFYBPZZWVENJC-MNOVXSKESA-N 286.291 -0.169 50 20 CBGD O=C1C[C@@H](C(=O)NNC(=O)NC2CCCCC2)NC(=O)N1 854192121 HCVQQLGYAMPGMX-QMMMGPOBSA-N 297.315 -0.752 50 20 CBGD CNC(=S)N(C)NC(=O)c1cnn(CCF)c1 854921313 PFKUNBVLNXIJKK-UHFFFAOYSA-N 259.310 -0.067 50 20 CBGD O=C(NNC(=O)C1(C(=O)C2CC2)CC1)c1cc[nH]n1 855354851 KOFSTEJKKYRQFT-UHFFFAOYSA-N 262.269 -0.070 50 20 CBGD NC(=O)NCCC(=O)NNc1ncc(Cl)cn1 857356163 VBMKTCXVSGHJEI-UHFFFAOYSA-N 258.669 -0.369 50 20 CBGD O=C(NNc1ncc(Cl)cn1)[C@@H]1CCS(=O)(=O)N1 857358737 HCELIUKBBFSPIH-LURJTMIESA-N 291.720 -0.735 50 20 CBGD O=C(C[C@H]1CCCC(=O)N1)NNC(=O)c1cn[nH]c1 862470375 OITTZWPMZPALLZ-MRVPVSSYSA-N 265.273 -0.771 50 20 CBGD COc1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)cn1 863153380 SSKISOJKGKRJJJ-SECBINFHSA-N 262.269 -0.181 50 20 CBGD COC(=O)N1CCC(NCc2ccc(B(O)O)cc2)CC1 863888912 MPUXFDNWHYRSSE-UHFFFAOYSA-N 292.144 -0.313 50 20 CBGD COC(=O)c1cnc(N2CC[C@@H](B(O)O)C2)c([N+](=O)[O-])c1 864234043 OPJIWAMTSSBKNE-MRVPVSSYSA-N 295.060 -0.171 50 20 CBGD COCCOCC(=O)NNC(=O)C1(COC)CCC1 869906370 UIFFZMMTBDJZQE-UHFFFAOYSA-N 274.317 -0.387 50 20 CBGD COCc1nn(C)cc1C(=O)NNC(=O)c1cccn1C 887776984 FKROKRFXAMXCGQ-UHFFFAOYSA-N 291.311 -0.020 50 20 CBGD O=C(Cc1cnc[nH]1)NNC(=O)N1CCOCC1 900426751 KUWXMIZIDZQXRV-UHFFFAOYSA-N 253.262 -0.975 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC[C@H]1CCO[C@@H](C)C1 1116553017 IOPSHXIESSRHNL-IUCAKERBSA-N 287.316 -0.305 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(F)nc1 1116603200 AMDBXRZYOXTQON-UHFFFAOYSA-N 270.220 -0.064 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCc1nc(N)n[nH]1 1117737371 LTKQPPYZXXPMEH-VOTSOKGWSA-N 250.262 -0.510 50 20 CBGD O=C([C@H]1CCc2cncn2C1)N1CC[C@H](B(O)O)C1 1119540716 PTWZXGWOJVEAGI-UWVGGRQHSA-N 263.106 -0.479 50 20 CBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCCO1 1253311550 FWFDVOLDJMNEHX-IUCAKERBSA-N 290.341 -0.862 50 20 CBGD Cc1ccnc(O)c1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1261830461 XWCVRCQWZOHOLD-ZETCQYMHSA-N 278.268 -0.865 50 20 CBGD C[C@@H]1C[C@H]1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1317978156 PQLJYFQZGGRSHN-GJMOJQLCSA-N 275.330 -0.840 50 20 CBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)N(C)C)o1 1318057765 MZPASLREPGIQMU-UHFFFAOYSA-N 290.301 -0.896 50 20 CBGD Cc1nn(C)c(C)c1CCC(=O)NNC(=O)CO 1320685086 JCYVZWHOMKSEHM-UHFFFAOYSA-N 254.290 -0.891 50 20 CBGD COCc1nc(C(=O)NNc2ncc(F)cn2)no1 1321386378 BQILHHLDTKMDCW-UHFFFAOYSA-N 268.208 -0.098 50 20 CBGD CC(=O)c1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1 1322654115 FQOUXUAHCDVLIT-UHFFFAOYSA-N 289.291 -0.071 50 20 CBGD CC(=O)Nc1ccsc1C=NNC(=O)C(N)=O 1322953648 NIQIVDDLGNYAET-UHFFFAOYSA-N 254.271 -0.358 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCn1cncn1 1327166288 BXXZDCHKXDXNTO-DTWKUNHWSA-N 267.289 -0.759 50 20 CBGD Cc1nonc1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1330175756 KIDOQZKAUCSUOH-MRVPVSSYSA-N 288.329 -0.516 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cnc2n1CCC2 1330643275 DILIHJPXKNVOMY-MRVPVSSYSA-N 299.356 -0.783 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H](C)Sc1nncn1C 1332176071 TXCQZVZTJGDYRV-JGVFFNPUSA-N 273.362 -0.361 50 20 CBGD C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H](B(O)O)C1 1335429507 CLLVBLRYQANXBM-DTWKUNHWSA-N 280.089 -0.527 50 20 CBGD C[C@H](NC(=O)NNC(=O)C(=O)NC1CC1)[C@H]1CCCOC1 1337465682 FTSKSSADKJRCNG-IUCAKERBSA-N 298.343 -0.590 50 20 CBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)NC1CCCC1 1345809857 ALUQIJICLTUXBJ-JQWIXIFHSA-N 295.387 -0.352 50 20 CBGD Cn1nc(C(=O)O)cc1C(=O)NNC(=O)[C@H]1CCCO1 1574465747 OGOVEBHPZRCDGX-MRVPVSSYSA-N 282.256 -0.942 50 20 CBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)[C@]1(C)CCCO1 1594755740 QFAOLITVDMEIHU-HQJQHLMTSA-N 258.274 -0.186 50 20 CBGD O=C(NC[C@H](F)C(=O)O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 1608457663 OKSWCZNBELOVFN-VGRMVHKJSA-N 289.263 -0.693 50 20 CBGD COC(=O)N(C)NS(=O)(=O)c1cc(C(=O)O)co1 1610186473 GNPKFPJWMIYJKQ-UHFFFAOYSA-N 278.242 -0.131 50 20 CBGD COC(=O)c1[nH]c(C=NNC(=O)NCC(=O)O)cc1C 1610193161 YHFOGPGNXDPILX-UHFFFAOYSA-N 282.256 -0.173 50 20 CBGD CN(C)S(=O)(=O)N(C)CC(=O)N1CC=C(C#N)CC1 1645902820 GDJFYAFUIXYBTB-UHFFFAOYSA-N 286.357 -0.593 50 20 CBGD COCCOCCOCCOCCOCCC(=O)NN 1857523840 HLJLUGJWPIZOAX-UHFFFAOYSA-N 294.348 -0.921 50 20 CBGD CC(=O)NNS(=O)(=O)c1csc([N+](=O)[O-])c1 131722017 SMPVXCFEIBBBLF-UHFFFAOYSA-N 265.272 -0.014 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCc2ccncn2)[nH]n1 192379807 WSOOFMDFPIMMRG-UHFFFAOYSA-N 274.284 -0.098 50 20 CBGD Cc1ccc(NNC(=O)NC[C@H]2CN(C)CCN2C)nn1 264883658 UCLFLKURBUFRQA-NSHDSACASA-N 293.375 -0.343 50 20 CBGD NC(=O)NCCC(=O)NNC(=O)COCc1ccccc1 265661470 AZMRUUJSSSZKCN-UHFFFAOYSA-N 294.311 -0.591 50 20 CBGD COCC(=O)N[C@H](C(=O)NNC(=O)C1CC1)C(C)C 265871960 IDLKULXKQFIVTP-JTQLQIEISA-N 271.317 -0.669 50 20 CBGD CNC(=O)NNS(=O)(=O)c1csc(C(=O)OC)c1 266392750 CISXOUPFQNMXLH-UHFFFAOYSA-N 293.326 -0.343 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCC[C@@H](O)[C@H]1C(=O)OC 275585398 OPIGTSJKTGPWPW-OJLMFNQTSA-N 282.296 -0.045 50 20 CBGD COc1cc([N+](=O)[O-])ccc1C(=O)NNC(=O)CN(C)C 277978001 YFCHHCIXAMIQRK-UHFFFAOYSA-N 296.283 -0.074 50 20 CBGD C#Cc1ccccc1CC(=O)NNC(=O)C(=O)N1CCCC1 290003487 CKEJGOMMJQVBDD-UHFFFAOYSA-N 299.330 -0.020 50 20 CBGD COC(=O)c1ccc(CC(=O)NNC(=O)C(C)(C)O)cc1 295190800 JIYMZAGCYQQSTL-UHFFFAOYSA-N 294.307 -0.066 50 20 CBGD O=S(=O)(CCCCCl)N1C[C@@H](O)[C@H](CO)C1 316482849 ZKXYGSXZBWCSFY-DTWKUNHWSA-N 271.766 -0.380 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@]1(C)CCN(C(C)=O)C1 373940996 ZBARFDKTYZRTAI-LBPRGKRZSA-N 284.385 -0.074 50 20 CBGD COC(=O)N(C)NC(=O)[C@H](CCSC)NC(N)=O 497193653 AQAKLPHIZGGDJA-LURJTMIESA-N 278.334 -0.494 50 20 CBGD O=C(N[C@H]1CCN2CCCC[C@@H]12)c1ccc(B(O)O)cc1 584928626 DZJJTEVOKLTWJP-KBPBESRZSA-N 288.156 -0.277 50 20 CBGD COCCN(C(=O)c1ccc(B(O)O)cc1)[C@H](C)COC 584945983 NNGHVYNNPCDILF-LLVKDONJSA-N 295.144 -0.510 50 20 CBGD CC1(C)[C@@H](O)C[C@@H]1NC(=O)c1cccc(B(O)O)c1 584973002 BQFDJUDYYLDORJ-QWRGUYRKSA-N 263.102 -0.744 50 20 CBGD C[C@H]1[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)CCCN1C 584973067 KSGCKWLCLSKKRU-ZANVPECISA-N 294.135 -0.282 50 20 CBGD O=C(N[C@H]1CCC[C@H]1CCO)c1cccc(B(O)O)c1 584974294 NHLSHVVRDLXXGI-GWCFXTLKSA-N 277.129 -0.353 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H](CCCO)C1 584998207 BYBAFXVLTFJUPS-NSHDSACASA-N 277.129 -0.399 50 20 CBGD OB(O)c1ccc(CNCCN2CCC2)c(F)c1 585029903 LTSJWYSVJVJFQI-UHFFFAOYSA-N 252.098 -0.699 50 20 CBGD CC(=O)N1CCC[C@@H](CNCc2cccc(B(O)O)c2)C1 585039033 MNWJVNVHZKWHRK-AWEZNQCLSA-N 290.172 -0.286 50 20 CBGD O=S(=O)(CCc1c(F)cccc1F)NCB(O)O 585056881 CVUVFEDISRPYHK-UHFFFAOYSA-N 279.073 -0.561 50 20 CBGD CO[C@@H](CS(=O)(=O)NCB(O)O)C1CCCCC1 585056989 GFKVUNOTRKSYAW-JTQLQIEISA-N 279.167 -0.487 50 20 CBGD CC[C@H](C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729275038 JUAAGAFKZIMPRM-BQBZGAKWSA-N 265.335 -0.882 50 20 CBGD CS(=O)(=O)N1CCC[C@H]1C(=O)NNc1cccnn1 736698198 DZXPMOMAJFRHBL-QMMMGPOBSA-N 285.329 -0.656 50 20 CBGD C[C@H]1CSCCN1CC(=O)NNC(=O)C1CC1 738340794 OZSYITAJWASBGP-QMMMGPOBSA-N 257.359 -0.019 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCC(O)CC1 744383625 UENDNUFPABPHLY-UHFFFAOYSA-N 257.334 -0.363 50 20 CBGD CCc1ncncc1C(=O)NNC(=O)N1CCOCC1 745986218 NZFREFAROTTXOW-UHFFFAOYSA-N 279.300 -0.274 50 20 CBGD COCCOc1ccccc1C=NNC(=O)C(N)=O 751516316 HWBXPCXEKRTJKU-UHFFFAOYSA-N 265.269 -0.353 50 20 CBGD CCCCn1ncc(C(=O)NNC(=O)CO)c1C 753439261 NRISNCSBRNNOKJ-UHFFFAOYSA-N 254.290 -0.255 50 20 CBGD COc1ccc2c(c1)OC[C@@H]2CC(=O)NNC(=O)CO 753442769 PCRZGRGNJNNFQV-QMMMGPOBSA-N 280.280 -0.299 50 20 CBGD CNC(=O)NNC(=O)C#Cc1ccc2c(c1)OCO2 762060762 MBJZZVADDJIPOL-UHFFFAOYSA-N 261.237 -0.273 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCSC2)cn1 762178493 LYWNZZBPZPWTLK-SSDOTTSWSA-N 254.315 -0.066 50 20 CBGD CCCCn1nccc1NC(=O)C(=O)NNC(=O)COC 764303914 SVZDWTHQICSHER-UHFFFAOYSA-N 297.315 -0.585 50 20 CBGD C#CCOCCNC(=O)NNC(=O)Cc1ccncc1 784540577 OVVHECFSCWPXDY-UHFFFAOYSA-N 276.296 -0.396 50 20 CBGD Cc1cc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)sn1 785453918 PCFKRPADNAIISY-SSDOTTSWSA-N 290.370 -0.161 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)cn1 787003344 IKPDXNWMGVYYEX-BDAKNGLRSA-N 293.327 -0.527 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CC(C)(C)C1 806788281 RNKFEJJIISUZDY-SSDOTTSWSA-N 291.373 -0.492 50 20 CBGD COc1nccnc1NNC(=O)c1cc([N+](=O)[O-])n[nH]1 807251191 FBZUNDXFJJDIKU-UHFFFAOYSA-N 279.216 -0.127 50 20 CBGD C[C@@](C#N)(CC(=O)O)C(=O)NNC(=O)Cc1cccnc1 819849192 YBQFOLFSPBWLRS-ZDUSSCGKSA-N 290.279 -0.224 50 20 CBGD C=CCn1cc(CNC(=O)NNC(=O)C(C)C)nn1 823798065 DBHJRCUCKQQCDL-UHFFFAOYSA-N 266.305 -0.050 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCN(C)C1 843970916 MWXZJEJIPLAEIA-AEJSXWLSSA-N 255.318 -0.490 50 20 CBGD O=C(NNS(=O)(=O)CCCCF)c1cc[nH]n1 849310915 VFDJQMNWCKIQEG-UHFFFAOYSA-N 264.282 -0.276 50 20 CBGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)c1cc[nH]n1 855359091 FFJSOAHKDIWWNN-UHFFFAOYSA-N 288.329 -0.759 50 20 CBGD C[C@]1(CNC(=O)[C@@H](CO)NC(N)=O)C[C@@H]1Br 857735228 YYHROVDBAUSCJP-QIOHGKGESA-N 294.149 -0.695 50 20 CBGD C[C@]1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCCOC1 862459797 BKCNYMHMVPMCOY-PELKAZGASA-N 269.301 -0.771 50 20 CBGD COC(=O)c1cc(C=NNC(=O)[C@H]2CCC(=O)N2)cn1C 863153549 VVDXNUFKFKUVPW-SECBINFHSA-N 292.295 -0.460 50 20 CBGD O=C(NC[C@H]1CSCCS1)c1cccc(B(O)O)c1 863877145 UEVDTUKTHYSLIH-NSHDSACASA-N 297.210 -0.055 50 20 CBGD CC[C@]1(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CCNC1=O 869069286 ZTOAOCUJHFDIKT-RWEMILLDSA-N 283.328 -0.525 50 20 CBGD COC(=O)N(C)NC(=O)N[C@@H](C)C[S@](C)=O 875485146 OBUNJRBSKWKGKW-MUCOVADDSA-N 251.308 -0.334 50 20 CBGD CCn1cnc2c1CCN(C(=O)c1ccc(B(O)O)cc1)C2 886606266 QELMYMBSOZHIII-UHFFFAOYSA-N 299.139 -0.219 50 20 CBGD O=C(Cn1ccccc1=O)NNC(=O)CC(F)(F)F 915263186 BNFYUUWVQKSPNR-UHFFFAOYSA-N 277.202 -0.052 50 20 CBGD O=C(CCCN1C(=O)CCC1=O)NNC(=O)c1ccc[nH]1 915619624 HUWGLOLAYKHZRU-UHFFFAOYSA-N 292.295 -0.295 50 20 CBGD COC(=O)c1cccc(NC(=O)C(=O)NNC(C)=O)c1 1116598899 WEJHWAZMVDFEFS-UHFFFAOYSA-N 279.252 -0.421 50 20 CBGD Nc1cnnc(NNC(=O)[C@H]2CC(=O)N2)c1Cl 1118674580 MGJPHLZYKKHEIZ-SCSAIBSYSA-N 256.653 -0.956 50 20 CBGD Cc1nnc(CNCc2cccc(B(O)O)c2)n1C 1119243714 VTKMPKHRZYHPQO-UHFFFAOYSA-N 260.106 -0.907 50 20 CBGD Cc1noc(CCC(=O)NNC(=O)N2CCOCC2)n1 1318042906 HWVPMODIELQKPR-UHFFFAOYSA-N 283.288 -0.616 50 20 CBGD Cc1cc(=O)c(C(=O)NNC(=O)Cc2cc[nH]n2)c[nH]1 1320419815 IRGDPPNELOLJLH-UHFFFAOYSA-N 275.268 -0.590 50 20 CBGD Cn1cc(C(=O)NNC(=O)NO[C@H]2CCCCO2)cn1 1321202696 OUFNTWFOSQNVBH-VIFPVBQESA-N 283.288 -0.178 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CCO[C@@H](C)C1 1324804626 YWDRIYBAVODPQO-YUMQZZPRSA-N 273.289 -0.695 50 20 CBGD NC(=O)c1ccc(C(=O)NNc2ncncc2F)nc1 1325043169 UTBUMQOWVIQOCV-UHFFFAOYSA-N 276.231 -0.134 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](C)[C@@H](C(=O)O)C1 1326502546 XIPZGOWKNWCBRH-UTLUCORTSA-N 285.344 -0.025 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CCCS(=O)(=O)C1 1326752996 PQOQEPGNEUYRMN-ZETCQYMHSA-N 263.319 -0.839 50 20 CBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ncnc2[nH]cnc12 1327884882 ATSSMIVEBHAKGJ-WDSKDSINSA-N 275.272 -0.693 50 20 CBGD Cc1cnn(CCC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 1329171168 APHHYRBWKIVZGG-SECBINFHSA-N 279.300 -0.992 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NNc1ncnc2[nH]cnc12 1330616104 VZNPOEJQHXQQJN-ZCFIWIBFSA-N 298.328 -0.523 50 20 CBGD C=C[C@H](COC)NC(=O)NNC(=O)C1CCOCC1 1330846293 IZOGNSLHUDKQBB-SNVBAGLBSA-N 271.317 -0.056 50 20 CBGD O=C(NC[C@@H]1CCCO1)NNC(=O)c1cccnn1 1331262893 ONJAIWJLNONQCW-QMMMGPOBSA-N 265.273 -0.400 50 20 CBGD C[C@H](CO)N(C)NC(=O)C1(O)Cc2ccccc2C1 1332364920 DNDMJKVBRRXDPG-SNVBAGLBSA-N 264.325 -0.140 50 20 CBGD C[C@@H](C(=O)NNc1nncc(N)c1Cl)S(C)(=O)=O 1333588837 VKGSXSOARLBNHX-BYPYZUCNSA-N 293.736 -0.412 50 20 CBGD Nc1cnccc1C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1 1549312198 CROQHOOHTOIPPL-WCQYABFASA-N 289.339 -0.023 50 20 CBGD O=C(NN=Cc1cocn1)[C@H]1CN2CCC[C@@H]2CO1 1549318929 DYQBSBXNWRGUJR-GHMZBOCLSA-N 264.285 -0.012 50 20 CBGD C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NNC(=O)CCCN 1576759099 PAWDWLOOKCNJOV-PELKAZGASA-N 279.344 -0.038 50 20 CBGD Cc1cccc(C(=O)NNC(=O)C[C@@]2(O)CCNC2)n1 1579750559 VNQPTXRBVJIRNQ-ZDUSSCGKSA-N 278.312 -0.734 50 20 CBGD O=C1CC[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cn2)O1 1582774179 CCEMZHJAMAXYRS-SSDOTTSWSA-N 289.255 -0.590 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C(=O)O)cc1F 1600441609 JAVNQCPRFZAUJW-UHFFFAOYSA-N 283.215 -0.695 50 20 CBGD Cc1ccc(NCCNC(=O)NNC(=O)C(=O)O)nc1 1600460088 MVTHSVWPQTXJDE-UHFFFAOYSA-N 281.272 -0.783 50 20 CBGD O=C(NNc1nc[nH]n1)c1csc(C(=O)O)n1 1601563450 LDQMKNJETVEMGL-UHFFFAOYSA-N 254.231 -0.284 50 20 CBGD CC(C)NC(=O)NNC(=O)c1ccnc(-c2nn[nH]n2)c1 1603337657 NLMUTLNIYFSFSS-UHFFFAOYSA-N 290.287 -0.386 50 20 CBGD CC(=O)NNC(=O)c1cc(-c2nn[nH]n2)oc1C 1609063835 HKJMHXLVUWQDGS-UHFFFAOYSA-N 250.218 -0.451 50 20 CBGD Cc1onc(CC(=O)NN(C)C2CC2)c1-c1nn[nH]n1 1609471381 SOPANDUHHRVCAT-UHFFFAOYSA-N 277.288 -0.169 50 20 CBGD CNC(=O)NNC(=O)c1ccc2c(c1)NC(=O)CO2 48950035 VQLVUMHXXUNRLJ-UHFFFAOYSA-N 264.241 -0.409 50 20 CBGD CCCCNC(=O)NNC(=O)Cn1ccc([N+](=O)[O-])n1 49143555 RTLSWINSKJJUNL-UHFFFAOYSA-N 284.276 -0.078 50 20 CBGD CCOCC(=O)NNC(=O)NCCc1ccccn1 68444911 XFBZCBFRYYUYTJ-UHFFFAOYSA-N 266.301 -0.009 50 20 CBGD COCCOCCNS(=O)(=O)CBr 127405649 FGHXXFOXGYHSPN-UHFFFAOYSA-N 276.152 -0.079 50 20 CBGD O=C(CO)NNC(=O)Cc1ccc(OC(F)F)cc1 180961773 UKHJFPPZJXSDAM-UHFFFAOYSA-N 274.223 -0.030 50 20 CBGD O=C(NCCCn1ccnc1)NNC(=O)[C@@H]1CCCO1 271014257 JEENEGSXQJJREH-JTQLQIEISA-N 281.316 -0.217 50 20 CBGD COCCCOCC(=O)NNC(=O)c1ccncc1 271806325 MIEWYHKMKVHKJQ-UHFFFAOYSA-N 267.285 -0.104 50 20 CBGD CNC(=O)CSCC(=O)NNC(=O)c1ccccc1 281680657 QTDYJXVFUIWSSP-UHFFFAOYSA-N 281.337 -0.073 50 20 CBGD O=C(CN1CCCCC1=O)NNC(=O)c1ccccn1 299243894 VXYVZPKBDJGKCO-UHFFFAOYSA-N 276.296 -0.145 50 20 CBGD CNC(=O)NNC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 299264635 VRJOPGYAHBPJIZ-DJLDLDEBSA-N 296.327 -0.490 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)NC2CC2)c(=O)n(C)c1=O 490587111 BRWSWPORWJYZGU-YVMONPNESA-N 274.280 -0.730 50 20 CBGD C#CCN1CCC(C(=O)NN(C)CCOC)CC1 491802830 HHROQWITBCJGHX-UHFFFAOYSA-N 253.346 -0.059 50 20 CBGD CN1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)C1 584933732 KKAISGRGXOBPEQ-JTQLQIEISA-N 262.118 -0.952 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCCN(C2CC2)CC1 584938308 YSPVNQGKJLATGF-UHFFFAOYSA-N 288.156 -0.323 50 20 CBGD CSC[C@@](C)(O)CNC(=O)c1cccc(B(O)O)c1 584951067 UASZMOCAXSJHDO-LBPRGKRZSA-N 283.158 -0.790 50 20 CBGD CC(C)(CF)NC(=O)c1cc(B(O)O)ccc1F 584977245 LELIKMTZNPMDEH-UHFFFAOYSA-N 257.045 -0.017 50 20 CBGD CC(C)C(=O)NCCNCc1cccc(B(O)O)c1 585033011 UNBRTRYXJCOELQ-UHFFFAOYSA-N 264.134 -0.772 50 20 CBGD C[C@@H](CO)CCCNCc1ccccc1B(O)O 585033883 HNAMYGZRTOVHAF-LLVKDONJSA-N 251.135 -0.135 50 20 CBGD CCO[C@@H](CCN(C)C)CNCc1ccc(B(O)O)cc1 585034965 WCXUPGZIEHBLEH-HNNXBMFYSA-N 294.204 -0.187 50 20 CBGD Cn1nnc2c1CC[C@@H](NCc1ccc(B(O)O)cc1)C2 585045082 BBKNHNOZNCNKJM-GFCCVEGCSA-N 286.144 -0.858 50 20 CBGD CCNC(=O)Cc1nc(-c2ccc(B(O)O)cc2)no1 585055274 UZYSCLPNFWCSLD-UHFFFAOYSA-N 275.073 -0.905 50 20 CBGD CC[C@H](C)NC(=S)NNC(=O)[C@H](C)NS(C)(=O)=O 728450469 ZDRRCFAFISKXRS-BQBZGAKWSA-N 296.418 -0.782 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)C(=O)N1CCCC1 733776738 QOMHTJOJIJKCKK-OPRDCNLKSA-N 281.312 -0.676 50 20 CBGD COCCNC(=O)NNC(=O)[C@H](C)OCCOC 733951203 CAIANSCAEIUKTC-QMMMGPOBSA-N 263.294 -0.985 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C[C@H]1CCOC1 739725428 YGXMZMQWEHAJRQ-MRVPVSSYSA-N 252.274 -0.094 50 20 CBGD CC(C)(NS(C)(=O)=O)C(=O)NNC(=O)C1CCCC1 742046250 QMZJDWYLVMEOSK-UHFFFAOYSA-N 291.373 -0.348 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CC1(O)CCCCC1 746103852 XGFYEZRFJBXSBJ-UHFFFAOYSA-N 285.344 -0.256 50 20 CBGD C=CCCCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 748286913 CSQNDJFOBMTZQY-VIFPVBQESA-N 274.342 -0.075 50 20 CBGD CCCCNC(=O)NNC(=O)c1ccc(C(N)=O)cn1 749585676 POMGDROOTGDOKJ-UHFFFAOYSA-N 279.300 -0.075 50 20 CBGD O=C(COC[C@@H]1CCCO1)NNC(=O)Cc1cc[nH]n1 755285769 SQOZNJNPEUVGPC-JTQLQIEISA-N 282.300 -0.705 50 20 CBGD COCC(=O)NNC(=O)Nc1cccc(N(C)C)n1 764729359 UEIIZBRNQYHTGB-UHFFFAOYSA-N 267.289 -0.053 50 20 CBGD CCCNC(=O)NNC(=O)c1c(C)c(C)nn(C)c1=O 764895380 HZGQUQWOOXCDHK-UHFFFAOYSA-N 281.316 -0.249 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)N1CCC[C@@H](C)C1 767888836 XXQMXHITFANGQM-MRVPVSSYSA-N 293.327 -0.262 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cc(O)cc(C#N)c1 768262199 ZABOUUQVAIJIMI-UHFFFAOYSA-N 263.253 -0.204 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)CCN(C)C1CC1 770689003 PBPBJZQEZNWRDE-JTQLQIEISA-N 270.377 -0.042 50 20 CBGD N#C/C(=C\C1CC1)C(=O)OCC(=O)N1CCNC(=O)C1 786665960 JPXHPONLCLJCNX-BJMVGYQFSA-N 277.280 -0.652 50 20 CBGD C[C@@H]1CN(C)CC1=NNC(=O)N1CCN(C)CC1 790181025 GRVYUOODQQFHQK-SNVBAGLBSA-N 253.350 -0.119 50 20 CBGD C[C@@H]1COC(=O)C1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 794901817 OXXFUJFPRUNYTA-RNFRBKRXSA-N 289.313 -0.978 50 20 CBGD CCOC(=O)[C@@H](CC(=O)NNC(=O)NC1CC1)C(C)=O 823768074 ODXMLFHVWLHFSX-VIFPVBQESA-N 285.300 -0.362 50 20 CBGD C[C@H](CO)N(C)NC(=O)CC[C@]1(C)CCC(=O)N1 823939232 HGGUWTWYSLNYDO-SKDRFNHKSA-N 257.334 -0.221 50 20 CBGD CC(C)NC(=O)NNC(=O)Cc1nnn(C(C)(C)C)n1 824404359 OONHYDVNAPUVHH-UHFFFAOYSA-N 283.336 -0.291 50 20 CBGD Cc1cc(C)n(CC(=O)NN=Cc2ncnn2C)n1 842520106 BECQSOPDFQQBTQ-UHFFFAOYSA-N 261.289 -0.221 50 20 CBGD CCONC(=O)CNC(=O)NNc1ncccn1 845552239 ZHDUVFWKTNJRPW-UHFFFAOYSA-N 254.250 -0.830 50 20 CBGD CN1C(=O)C(=O)N(CC(=O)NCCCSC#N)C1=O 854362657 WFZKUVNXQQWRQP-UHFFFAOYSA-N 284.297 -0.872 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@H](C)CC(N)=O)C1CC1 855097117 JNUSDBNAROQTBN-RQJHMYQMSA-N 272.374 -0.208 50 20 CBGD O=C(NC[C@H]1COCCN1)NNC(=O)c1ccccc1O 861680937 MHEFPPIBFKIPHO-VIFPVBQESA-N 294.311 -0.675 50 20 CBGD CCC[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862461998 NUIHHSFANDDQAJ-IWSPIJDZSA-N 253.302 -0.151 50 20 CBGD CN(CC(=O)NNC(=O)c1cn[nH]c1)[C@@H]1CCSC1 862472523 LOYRXSSYDJEIQC-SECBINFHSA-N 283.357 -0.392 50 20 CBGD O=C(NNCC(F)(F)C(F)(F)F)[C@@]1(O)CCOC1 863101666 CFUILKJXNJQFQH-ZCFIWIBFSA-N 278.177 -0.044 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1C[C@H]1C1CCC1 863467077 MKYPOOOBXIHTLY-DTWKUNHWSA-N 274.342 -0.385 50 20 CBGD CC(C)[C@H]1CNCCN1CC(=O)NNC(=O)C1CC1 863546270 IDLVBFJIAXKBQO-LLVKDONJSA-N 268.361 -0.526 50 20 CBGD COC(=O)[C@]1(C)CCN(C(=O)c2cccc(B(O)O)c2)C1 863875552 AIJHDMWWLOCDAD-CQSZACIVSA-N 291.112 -0.608 50 20 CBGD COCCOCC(=O)NNC(=O)c1cccnc1N(C)C 869909379 UEAOJUJHOMVPHI-UHFFFAOYSA-N 296.327 -0.428 50 20 CBGD CCOC(=O)[C@@H](C)NCc1cccc(B(O)O)c1 877471255 QUVHUWIBHHFIQG-SECBINFHSA-N 251.091 -0.592 50 20 CBGD CO[C@@H]1COC[C@@H]1NS(=O)(=O)CCCCl 882256924 UEXNWIMGNDYTBR-JGVFFNPUSA-N 257.739 -0.052 50 20 CBGD CN(C)CC(=O)NNC(=O)Cc1cccnc1Cl 896127765 AGNVCQOINUROCR-UHFFFAOYSA-N 270.720 -0.014 50 20 CBGD O=C(NC/C=C\Cl)NNC(=O)C(=O)N1CCCC1 899055673 PGYWINTYULMPFI-ARJAWSKDSA-N 274.708 -0.308 50 20 CBGD CC[C@@H](O)[C@H](C)C(=O)NNC(=O)N1CCN(C)CC1 908054688 ZRYZFXYKHNUPBB-VHSXEESVSA-N 272.349 -0.618 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCCC12OCCO2 910149299 BUZLCWIZUONEIX-VHSXEESVSA-N 258.318 -0.127 50 20 CBGD Cc1nc([N+](=O)[O-])cn1CC(=O)NN(C)C(N)=O 1116528319 XBCWLIAZHIVOCQ-UHFFFAOYSA-N 256.222 -0.859 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCC(C)(C)O)cn1 1116669586 FHLMQVYFTGOUFE-UHFFFAOYSA-N 269.305 -0.475 50 20 CBGD Cc1ccc2ncc(C(=O)NNc3nc[nH]n3)c(=O)n2c1 1117722344 SMEBHTKMPIFMCR-UHFFFAOYSA-N 285.267 -0.122 50 20 CBGD CN(C)c1nccc(NNC(=O)CO[C@@H]2CCOC2)n1 1252537982 RMVBNKVDYLGFQK-SECBINFHSA-N 281.316 -0.209 50 20 CBGD O=C(c1cncc(-n2ccnn2)c1)N1CC[C@@H](B(O)O)C1 1261843341 CYUUZWXXFKFQFW-SNVBAGLBSA-N 287.088 -0.649 50 20 CBGD CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cn(C)cn1 1261894261 QLNWMNIVTBISIY-VIFPVBQESA-N 284.341 -0.305 50 20 CBGD CNc1snc(C)c1C(=O)NNC(=O)C(=O)NC(C)C 1317868585 FLMACEYMNGYHKM-UHFFFAOYSA-N 299.356 -0.221 50 20 CBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cncs1 1317925929 ZCQLCIAHRAJWBR-ZCFIWIBFSA-N 289.338 -0.661 50 20 CBGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNC(=O)N(C)C 1318159821 CQANTVSTHZWPSC-UHFFFAOYSA-N 270.249 -0.598 50 20 CBGD NC(=O)Cn1cc(C(=O)NNc2cccnc2Cl)nn1 1319103598 JQLBYQJFWMIDFM-UHFFFAOYSA-N 295.690 -0.431 50 20 CBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccnc1Cl 1320357699 SLKAGUMCULSTNB-UHFFFAOYSA-N 299.718 -0.618 50 20 CBGD CC(C)C(=O)NNC(=O)NC[C@@H]1CCCS(=O)(=O)C1 1322759759 HRZNDVOJIOSBNY-VIFPVBQESA-N 291.373 -0.202 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCc1ccc(OC)cc1 1330487239 CRPZIBBLGRHFGG-UHFFFAOYSA-N 295.295 -0.259 50 20 CBGD Cc1cc(C(=O)NNC(=O)CO)n(C2CCOCC2)n1 1331867099 BCLWGOKSKOXBQD-UHFFFAOYSA-N 282.300 -0.704 50 20 CBGD O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)NNC(=O)CN1CCCC1=O 1332272822 APVPANGYXBUKJT-HBNTYKKESA-N 295.339 -0.286 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=S)NC(C)C 1335952082 RPVXKLDOUVCHBX-SECBINFHSA-N 274.390 -0.389 50 20 CBGD CN1CCN(C(=O)NNC(=O)CCc2nccn2C)CC1 1348611750 KRKVLOUHZDQAKL-UHFFFAOYSA-N 294.359 -0.659 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)C(=O)O 1589425108 XJUAPFZJJYPIHH-RITPCOANSA-N 260.246 -0.804 50 20 CBGD C[C@@H]1CC[C@H](C(=O)NNC(=O)CSCC(=O)O)O1 1594215792 IQTMODQHLQIKJS-RNFRBKRXSA-N 276.314 -0.481 50 20 CBGD O=C(NNC(=O)c1cnsn1)N[C@H]1C[C@@H](C(=O)O)C1 1594780601 YWFXFSKREWXYNB-SYDPRGILSA-N 285.285 -0.655 50 20 CBGD O=C(O)CN1CCC[C@H](C(=O)NN=c2cc[nH]cc2)C1=O 1595081586 BRGCGWZWSWDXJA-SNVBAGLBSA-N 292.295 -0.730 50 20 CBGD CC(C)(CNC(=O)c1ccc(B(O)O)cc1)C(=O)O 1603639005 RKHWCPLHIDOIOE-UHFFFAOYSA-N 265.074 -0.793 50 20 CBGD CN(NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2)C(N)=O 1606180944 PXNXAOBPHVFMMV-MAUMQABQSA-N 267.285 -0.059 50 20 CBGD COCc1nc(C(=O)NNC(=O)CN(C)C)cs1 113424517 QQJOZURNIBUVEL-UHFFFAOYSA-N 272.330 -0.388 50 20 CBGD CCNC(=O)NNC(=O)c1cc(C(N)=O)cs1 139147452 RAJMVWSCCMRJPG-UHFFFAOYSA-N 256.287 -0.189 50 20 CBGD C[C@H](O)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 276378593 PRBXSNLUMCAWFB-QMMMGPOBSA-N 299.352 -0.049 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnc(O)c([N+](=O)[O-])c1 277829584 ZAIONSLKZXSPTQ-UHFFFAOYSA-N 283.244 -0.982 50 20 CBGD Cn1cnn(CCC(=O)NNc2ccnc(F)c2)c1=O 293457647 KYDKQSMONRNFQL-UHFFFAOYSA-N 280.263 -0.351 50 20 CBGD C[C@@H]1C[C@@H](C(=O)Nc2cccc(B(O)O)c2)CC(=O)N1 584913722 IPXXPTCBAUOWGA-RKDXNWHRSA-N 276.101 -0.780 50 20 CBGD N#CC1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584938061 VMPOZANSLKKOKV-UHFFFAOYSA-N 276.076 -0.119 50 20 CBGD O=C(N[C@@H]1CCO[C@@H]1C1CC1)c1ccc(B(O)O)cc1 584968187 UGSVUEDCQKKABL-CHWSQXEVSA-N 275.113 -0.336 50 20 CBGD C[C@H](O)[C@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 585007875 PUUQEJVSCDUBIT-JOYOIKCWSA-N 263.102 -0.648 50 20 CBGD C[C@H](CN1CCOCC1)NCc1cccc(B(O)O)c1 585015643 IMBURLGGPFCKTG-GFCCVEGCSA-N 278.161 -0.823 50 20 CBGD CC[C@@](C)(CO)CNCc1ccccc1B(O)O 585030286 QYYBYMDINHLJHN-CYBMUJFWSA-N 251.135 -0.135 50 20 CBGD O=C1C[C@H](NCc2cccc(B(O)O)c2)[C@H]2CCCCN12 585042509 SNLHEQVODQZWIZ-UONOGXRCSA-N 288.156 -0.391 50 20 CBGD O=C(NCB(O)O)[C@@H]1CCCN1C(=O)c1ccccc1 585056435 VUTKVYGVOXBDCH-NSHDSACASA-N 276.101 -0.581 50 20 CBGD CCNC(=O)CCC(=O)NNC(=O)NCC1CC1 732063677 ZULQOOPCEQXESW-UHFFFAOYSA-N 256.306 -0.357 50 20 CBGD CC(=O)N1CCc2cc(NC(=O)NNC(=O)CO)ccc21 755536578 PNLAEQOJNCUTSZ-UHFFFAOYSA-N 292.295 -0.259 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NN=Cc1cc[nH]n1 755584706 NMUYDBLXCOIAKE-SNVBAGLBSA-N 265.317 -0.172 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H](CCO)C1CC1 771797709 BNYDQISIDVSAMN-WPRPVWTQSA-N 257.334 -0.317 50 20 CBGD C=Cn1cc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)cn1 773056324 VMEDZNGOVPXECH-JTQLQIEISA-N 297.340 -0.196 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(OC)nc1 784917225 HOGKVVBHUPMPTF-UHFFFAOYSA-N 295.299 -0.279 50 20 CBGD COc1cccc(C[C@@H](O)C(=O)NNC(C)=O)c1 785401043 MMZCRMKGMKTLNW-LLVKDONJSA-N 252.270 -0.234 50 20 CBGD Nc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)c1cnn[nH]1 786903734 XJRIAWJZGBBNLQ-UHFFFAOYSA-N 291.227 -0.630 50 20 CBGD COCCCNC(=O)NNC(=O)CC1OCCCO1 793207727 QAACAVUFVBLPCD-UHFFFAOYSA-N 275.305 -0.494 50 20 CBGD Cc1ccc(C(=O)NNC(=O)c2cnnn2C)c(O)c1 799100992 ROSSLQWTRCJHDZ-UHFFFAOYSA-N 275.268 -0.096 50 20 CBGD COC(=O)N(C)NC(=O)[C@H]1CCc2nnc(C)n2C1 804125546 RZKGXUQGXAFKSP-QMMMGPOBSA-N 267.289 -0.122 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(C)(C)C1CC1 806788323 TUIXDMHLVFBCEY-SSDOTTSWSA-N 291.373 -0.492 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CCC(=O)c2ccccc21 807196582 XHNRNPLUJLRPBN-SNVBAGLBSA-N 262.265 -0.114 50 20 CBGD O=C(CC1CC1)NNC(=O)[C@@H]1CN2CCCN1CC2 819117817 FNHPAGGQAZKLNK-NSHDSACASA-N 266.345 -0.676 50 20 CBGD CN(NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C1CC1 819643583 GAJHTPXMSDOBTA-ZDUSSCGKSA-N 280.328 -0.168 50 20 CBGD CN(NC(=O)Cn1nc2ccccn2c1=O)C1CC1 819643816 PTQJIQSHMWVNTK-UHFFFAOYSA-N 261.285 -0.379 50 20 CBGD CCN(CCO)NC(=O)CCSc1nnnn1C 823852895 RNLNCLMKDZRLOD-UHFFFAOYSA-N 274.350 -0.962 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1CCCCNC1=O 825687011 VUGAKXPLZGJEEU-GUBZILKMSA-N 298.343 -0.590 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc2n(n1)CCCO2 843655111 HYGUKAJQWCRCCF-IUCAKERBSA-N 294.311 -0.148 50 20 CBGD N[C@H](CNS(=O)(=O)CBr)C1CC1 850587226 SRUFWCUEMICZJF-ZCFIWIBFSA-N 257.153 -0.005 50 20 CBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)CC(F)(F)F 855000433 IDXADLHCBZYHPY-WUJLRWPWSA-N 269.179 -0.417 50 20 CBGD CNc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 862458948 KNXFHNPEGDOQBW-MRVPVSSYSA-N 277.284 -0.837 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2n[nH]cc2C1)c1cn[nH]c1 862472166 GTVMWIGUIVZGLZ-SSDOTTSWSA-N 274.284 -0.301 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccc(CF)cc1 863466854 DGRRCHFVSJQSLB-UHFFFAOYSA-N 288.300 -0.038 50 20 CBGD O=C(NCCOC1CCC1)c1ccc(B(O)O)cc1 863873247 CFINFYWSGGQGCE-UHFFFAOYSA-N 263.102 -0.335 50 20 CBGD C#CCOCCC(=O)NNC(=O)Cc1cc(C)[nH]n1 869015819 WIORBWPXWJECCU-UHFFFAOYSA-N 264.285 -0.552 50 20 CBGD COC1(C(=O)NNC(=O)Cc2cc(C)[nH]n2)CCC1 869015840 WTXZMBIUBIYROS-UHFFFAOYSA-N 266.301 -0.023 50 20 CBGD COCC1(S(=O)(=O)NNC(=O)NCC2CC2)CC1 882683539 IPHAPSJJTKKNMZ-UHFFFAOYSA-N 277.346 -0.291 50 20 CBGD C[C@@H](NCc1ccccc1B(O)O)[C@@H](C)C(=O)O 901444422 GOCUXYGMHBJNHV-RKDXNWHRSA-N 251.091 -0.435 50 20 CBGD C[C@H](C(=O)NNC(=O)N1CCOCC1)c1cnccn1 906446658 BHLFRYHECNHRIY-VIFPVBQESA-N 279.300 -0.347 50 20 CBGD Cn1cccc1C(=O)NN=C1CCS(=O)(=O)C1 912806247 HXQJNJFRCPERQH-UHFFFAOYSA-N 255.299 -0.071 50 20 CBGD Cc1ncc2n1C[C@@H](C(=O)N1CC[C@H](B(O)O)C1)CC2 1119606207 AIMMBWXSCOUSEM-QWRGUYRKSA-N 277.133 -0.171 50 20 CBGD O=C(NNC(=O)c1ccc[nH]1)NOC[C@@H]1CCOC1 1255624232 JQKVMNPTMZLPPN-MRVPVSSYSA-N 268.273 -0.073 50 20 CBGD Cc1c(C(=O)NNC(=O)NCC(F)(F)F)nnn1C 1256495082 DOAJDUNIEWFXPP-UHFFFAOYSA-N 280.210 -0.370 50 20 CBGD Cc1c[nH]nc1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1261545182 SEBZLJKWOISHGB-SECBINFHSA-N 286.357 -0.176 50 20 CBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)c1ccccc1 1263699337 MIIWDRZLCVMEAN-DGCLKSJQSA-N 288.351 -0.164 50 20 CBGD COC(=O)C(=O)NN=Cc1cc2c(cc1O)OCO2 1318911464 KSJOVHUTIYZLIG-UHFFFAOYSA-N 266.209 -0.256 50 20 CBGD CC[C@@H](OC)C(=O)NNC(=O)C(=O)Nc1ccccn1 1319609893 MMUGWHZLYPONMB-MRVPVSSYSA-N 280.284 -0.408 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cc(CC(C)C)nn1C 1320234522 GYXSJACIWPMTSH-UHFFFAOYSA-N 281.316 -0.276 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1ccnn1C 1321601847 DHIGHKQGCDKXFK-UHFFFAOYSA-N 261.307 -0.725 50 20 CBGD Cn1ccnc(NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c1=O 1323508259 IZFYENVWVCPGMH-IWSPIJDZSA-N 264.285 -0.209 50 20 CBGD NC(=O)COc1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1 1329294217 ZSFICVKGQJWKMJ-SNVBAGLBSA-N 292.100 -0.760 50 20 CBGD O=C(NNS(=O)(=O)C[C@H]1CCCO1)c1cn[nH]c1 1330168759 OXMQBSUCCWNWCB-MRVPVSSYSA-N 274.302 -0.847 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCCS1(=O)=O 1332870213 SODXPJWBMWMPNR-XHNCKOQMSA-N 290.341 -0.864 50 20 CBGD COCCOCC(=O)NNC(=O)[C@]1(C)CC(C)=NO1 1336056009 UESOGHWTTXSYCZ-NSHDSACASA-N 273.289 -0.648 50 20 CBGD Cn1ncc([N+](=O)[O-])c1C(=O)NNC(=O)c1ccc[nH]1 1337329017 ZFWRSVFJHFLUCH-UHFFFAOYSA-N 278.228 -0.269 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1cn2c(n1)CCCC2 1337453764 WSKYQTRKORVMHR-UHFFFAOYSA-N 287.345 -0.316 50 20 CBGD Cc1cnccc1C=NNC(=O)CS(C)(=O)=O 1348411907 QCLSZZKEPAZULH-UHFFFAOYSA-N 255.299 -0.115 50 20 CBGD CCc1nc(C)c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)o1 1351717298 UXMJKBBFAZFMJE-ZETCQYMHSA-N 280.284 -0.415 50 20 CBGD Cc1cc(NNC(=O)[C@H]2CN3CCN2C[C@H]3C)nc(N)n1 1520450172 GAAWGMKKQGWLQX-NXEZZACHSA-N 291.359 -0.801 50 20 CBGD CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1cn(C)nn1 1549314766 LQWVOEDMSYKFQV-ZYHUDNBSSA-N 292.343 -0.482 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)[C@H]1CCCN(CCN)C1=O 1575126562 XDZYZSAQBGNINC-SNVBAGLBSA-N 298.387 -0.233 50 20 CBGD COC[C@H](N)C(=O)NNc1nc(O)c2ccccc2n1 1579086901 LWNIYMMPGWCOCP-QMMMGPOBSA-N 277.284 -0.248 50 20 CBGD CCNC(=O)NNC(=O)c1cc(C)c(-c2nn[nH]n2)cn1 1590744584 UBSUEVZXCNGLEZ-UHFFFAOYSA-N 290.287 -0.466 50 20 CBGD COC[C@H](OC)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 1591383364 PZRROMPFIRVPGM-JTQLQIEISA-N 292.299 -0.029 50 20 CBGD O=C(CC1CC1)NNC(=O)[C@]1(C(=O)O)CCCO1 1594678175 GGRDPPRDLSJJTB-NSHDSACASA-N 256.258 -0.432 50 20 CBGD O=C(Cc1ccccn1)NNC(=O)[C@@H]1CC[C@H]1C(=O)O 1594711088 IDLVXAADQUXCSY-NXEZZACHSA-N 277.280 -0.118 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCOC12CCCC2 1601552995 QIOYFDKTJTVXRA-ZETCQYMHSA-N 271.273 -0.497 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)CCc1ccccc1O 1604433691 GPOBFEZQCDGKHL-LLVKDONJSA-N 296.279 -0.428 50 20 CBGD CCCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)NC 48950853 KETAKCDYWUIYQY-MRVPVSSYSA-N 256.306 -0.262 50 20 CBGD Cc1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)on1 156869209 HDKZQBXNYLCRAX-UHFFFAOYSA-N 292.251 -0.233 50 20 CBGD CS[C@H](C)CC(=O)NNC(=O)C(=O)NC1CC1 270146459 QHLMWNFISOKHCG-ZCFIWIBFSA-N 259.331 -0.446 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)c2ccccc2O)C1 276626473 OVDASUMHSOBMFU-UHFFFAOYSA-N 277.280 -0.369 50 20 CBGD Cc1ccc(NCC(=O)NNC(=O)CNC(=O)O)cc1 285537999 DCCWGMDDGUYYDW-UHFFFAOYSA-N 280.284 -0.178 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cccnc2F)CC1 288067092 UCGRABLOXPECOQ-UHFFFAOYSA-N 281.291 -0.178 50 20 CBGD CNC(=O)NCCC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 293994003 UNYDSWXEGLGADP-YUMQZZPRSA-N 272.305 -0.980 50 20 CBGD NNC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 361764480 UYUPAQOIQHVKNO-UWVGGRQHSA-N 283.328 -0.042 50 20 CBGD C[C@@H]1CN(C)CC[C@H]1NC(=O)c1ccc(B(O)O)cc1 584937142 LTZXJBWKHAMOFI-ZWNOBZJWSA-N 276.145 -0.564 50 20 CBGD CC(C)(O)[C@@H]1CCCN1C(=O)c1ccc(B(O)O)c(F)c1 584965948 WKRXDYQCOFLKMW-LBPRGKRZSA-N 295.119 -0.119 50 20 CBGD C[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)[C@H](C)CN1C 584968735 DIQXTQGCNMMZLZ-VHSXEESVSA-N 294.135 -0.330 50 20 CBGD C[C@@H]1OCC[C@]1(C)NC(=O)c1cc(B(O)O)ccc1F 584972779 GXOIAZIZOOBBIZ-SDBXPKJASA-N 281.092 -0.197 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H](n2cncn2)C1 584978201 VOCKBMUPFGMIPO-LBPRGKRZSA-N 286.100 -0.955 50 20 CBGD O=C(c1cccc(B(O)O)c1)N(CCO)C1CCC1 584979067 KBWQGTXSRLPYGA-UHFFFAOYSA-N 263.102 -0.647 50 20 CBGD Cc1cnn([C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C2)c1 584990777 KDQRTUSTXCSUKH-CQSZACIVSA-N 299.139 -0.041 50 20 CBGD CC[C@@H]1COC[C@@H]1NC(=O)c1cc(B(O)O)ccc1F 585007392 LTUSJPMYSMWMMV-PELKAZGASA-N 281.092 -0.340 50 20 CBGD C[C@@H](NCc1ccccc1B(O)O)[C@@H]1CN(C)CCO1 585028886 SHTYZYHGGRFJDG-RISCZKNCSA-N 278.161 -0.825 50 20 CBGD Cn1cc([C@@H]2OCC[C@H]2NCc2ccc(B(O)O)o2)cn1 585047645 DZPPPOMORFHOHU-YPMHNXCESA-N 291.116 -0.687 50 20 CBGD OB(O)c1ccc(CNCC[C@H]2CCCOC2)o1 585049139 LBELBESIFNSBOT-SNVBAGLBSA-N 253.107 -0.134 50 20 CBGD CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCB(O)O 585054031 GGFSFWJNSAVCIM-JQWIXIFHSA-N 292.144 -0.041 50 20 CBGD C[C@@H]1CCN(S(=O)(=O)N2CC[C@@H](B(O)O)C2)C1 585058642 LPAQZJUFMCNKSQ-RKDXNWHRSA-N 262.140 -0.878 50 20 CBGD O=S(=O)(c1ccccc1)N1CC[C@H](B(O)O)C1 585061415 XBIYBXVWNQGONA-VIFPVBQESA-N 255.104 -0.076 50 20 CBGD C#Cc1ccc(C(=O)NNC(=O)N2CCOCC2)nc1 728863534 VUJWFXHQUGSBSZ-UHFFFAOYSA-N 274.280 -0.251 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1ccc(C(=O)OC)o1 730765485 AKKYMKQFBRULNM-UHFFFAOYSA-N 291.285 -0.421 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NCCCN1C(=O)CNC1=O 731046561 FNDWKCLLRLMVAA-UHFFFAOYSA-N 299.331 -0.695 50 20 CBGD O=C(NNC(=O)c1cnn[nH]1)c1cc(F)cc([N+](=O)[O-])c1 731474940 HHBVFIDTIBALSO-UHFFFAOYSA-N 294.202 -0.073 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CN(C)CC(=O)O)cc1 740108106 RPJOXJALZMZKSJ-UHFFFAOYSA-N 279.296 -0.228 50 20 CBGD C#CCCCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 745901727 PXMBJVSVTQTGTN-NSHDSACASA-N 273.358 -0.219 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1ccc(C(N)=O)o1 746794431 AEZXDJUZCLQCIJ-UHFFFAOYSA-N 276.252 -0.208 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cnc3c(cnn3C)c2)cn1 747307283 FXLVQPYTWWXEHQ-UHFFFAOYSA-N 299.294 -0.223 50 20 CBGD COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)CO)c1C 753439520 ZYFBRENUQXKXAD-UHFFFAOYSA-N 269.257 -0.829 50 20 CBGD C[C@H](CCS(C)(=O)=O)NC(=O)NNC(=O)C1CCC1 762093997 IBLKKKKGYBTMGB-MRVPVSSYSA-N 291.373 -0.060 50 20 CBGD CCCC[C@@H](NC(N)=O)C(=O)NNC(=O)c1cc(C)[nH]n1 765586486 XMXLRWHXFSAMBA-MRVPVSSYSA-N 296.331 -0.294 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)C[C@@H]1CCCO1 768494621 OIUCYGNQZHHANW-QMMMGPOBSA-N 265.335 -0.339 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1cccnc1 768495117 PSGACCOTYHVBMO-UHFFFAOYSA-N 258.303 -0.064 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)Cn1cccn1 771915751 YVKBGVSEHIXLEC-QMMMGPOBSA-N 268.273 -0.628 50 20 CBGD CCN(CC(N)=O)[C@H](C)C(=O)NNC(=O)CC(C)C 789519592 QFNDBCROFVDVNY-SECBINFHSA-N 272.349 -0.624 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C(C)(C)OC(C)=O 792353287 VVBNXOHUZNWQSU-SSDOTTSWSA-N 288.300 -0.183 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CNC(=O)C2CC2)n1 794074541 CCQLZPICVJQINL-UHFFFAOYSA-N 276.296 -0.323 50 20 CBGD Cn1ccnc(NNC(=O)[C@@H]2CCCC23OCCO3)c1=O 806998209 SNQSKIYQUCCZLC-VIFPVBQESA-N 294.311 -0.233 50 20 CBGD O=C(NNC(=O)[C@H](O)C1CC1)c1ccc2c(c1)OCCO2 820121077 DUHWVGPWJLWVPG-GFCCVEGCSA-N 292.291 -0.010 50 20 CBGD COCCN1CCN(S(=O)(=O)CCl)CC1=O 831009852 IKQUBAZBEJZHPX-UHFFFAOYSA-N 270.738 -0.697 50 20 CBGD C[C@H](NC(=O)O)C(=O)NNC(=O)CC(F)(F)F 833739710 ORXOXLMOWJDVMM-VKHMYHEASA-N 257.168 -0.258 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)[C@]2(O)CCOC2)cc1 840240036 GZAGZOAGXFLRQE-AWEZNQCLSA-N 294.307 -0.327 50 20 CBGD Cc1nc[nH]c1CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843971475 QPDVEAIUGKRISI-DTWKUNHWSA-N 266.301 -0.167 50 20 CBGD CNC[C@@H](C)NC(=O)NNC(=O)c1cccc(C)n1 851679329 CCUKRNVIAUWGQB-SECBINFHSA-N 265.317 -0.058 50 20 CBGD COc1ccccc1OCC(=O)NNC(=O)[C@H](O)C1CC1 854190536 AICVPSVHCGATIA-CYBMUJFWSA-N 294.307 -0.008 50 20 CBGD COCCCNC(=S)N(C)NC(=O)Cc1cc[nH]n1 854281366 FWHHGRUZPHOKQS-UHFFFAOYSA-N 285.373 -0.174 50 20 CBGD Cc1nccn1CC(=O)NNC(=O)N1CCN(C)CC1 854381708 QKNVVEKZGHMYEL-UHFFFAOYSA-N 280.332 -0.820 50 20 CBGD Cc1nn(C)c(C)c1C(=O)NNC(=O)c1cc[nH]n1 855361540 DSXGOIMZUKCCCY-UHFFFAOYSA-N 262.273 -0.165 50 20 CBGD O=C(NNC(=O)C1(n2cnnn2)CC1)OCC(F)(F)F 856026461 ZHZUDXWSJWRDFS-UHFFFAOYSA-N 294.193 -0.518 50 20 CBGD O=C(NNc1ccc(-n2cccn2)nn1)N[C@@H]1CCNC1 861704476 FMOBNKQQFZAUHE-SECBINFHSA-N 288.315 -0.350 50 20 CBGD Cc1cc(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc[nH]1 862509708 RSDLXIUOSLNIMS-SECBINFHSA-N 269.326 -0.310 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)[C@H]1CCCOC1 863188118 YZUMROYOISKWBN-VIFPVBQESA-N 262.331 -0.050 50 20 CBGD CC(C)(C)S(=O)(=O)CCNCc1ccccc1B(O)O 863888134 IJPSYMBENULGPR-UHFFFAOYSA-N 299.201 -0.331 50 20 CBGD CCOC(=O)N1CC[C@H](NCc2ccccc2B(O)O)C1 863890855 GCFIKKVLDDTZKA-LBPRGKRZSA-N 292.144 -0.313 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1C[C@H]2COC[C@H]2C1 873052345 OHCVSNUOHQLUJJ-ZNSHCXBVSA-N 283.328 -0.270 50 20 CBGD CC1CCN(C(=O)C(=O)NN(C)C[C@H](C)O)CC1 910158944 GJGSRENGSVCZLM-JTQLQIEISA-N 257.334 -0.411 50 20 CBGD CC(C)SCC(=O)NNC(=O)C(=O)NC1CC1 914460990 IVCLSIAEHVSPPT-UHFFFAOYSA-N 259.331 -0.446 50 20 CBGD COc1ccc(NCC(=O)NNC(=O)c2cnn[nH]2)cc1 918319245 MFILLRIRXLKUIU-UHFFFAOYSA-N 290.283 -0.314 50 20 CBGD CN(C)CC(=O)NNC(=O)C1(C#N)CCOCC1 1116098536 OGHSRTMMLKTTPX-UHFFFAOYSA-N 254.290 -0.984 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@@H]2C[C@]23CCOC3)nn1 1116600869 ROMWNZBSVZJQSC-MADCSZMMSA-N 277.284 -0.555 50 20 CBGD CC(C)n1cnc(S(=O)(=O)NNC(=O)c2cc[nH]n2)c1 1118437618 NSHPXHKIKUOPEM-UHFFFAOYSA-N 298.328 -0.190 50 20 CBGD Cn1ncc(C(=O)NNC(=O)Cc2ccncc2)c1N 1254768730 NDTPXOHDGICCEB-UHFFFAOYSA-N 274.284 -0.599 50 20 CBGD CCS(=O)(=O)CC(=O)NNC(=O)Cc1ccncc1 1318954801 ZTCWUOOZYFBLHT-UHFFFAOYSA-N 285.325 -0.794 50 20 CBGD CCn1nncc1C(=O)NNC(=O)Cc1cc[nH]n1 1324458779 YEWWOLIXSJFIDC-UHFFFAOYSA-N 263.261 -0.975 50 20 CBGD COC(=O)N(C)NC(=O)[C@H]1CC12CCS(=O)(=O)CC2 1326043806 XWCNMPVGMRZZAA-MRVPVSSYSA-N 290.341 -0.069 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1CCOCC1 1326364777 VFFBQOAOZGRXDI-WPRPVWTQSA-N 256.302 -0.015 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)OCC(F)(F)F)CN1 1328829805 ZIWGXENMJPFKKB-YFKPBYRVSA-N 283.206 -0.168 50 20 CBGD CN(C)CC(=O)NNC(=O)C(=O)c1ccc(O)cc1 1329002901 FBLZMBKTXXWOHX-UHFFFAOYSA-N 265.269 -0.716 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc[n+]([O-])cc1 1329540040 QWDPMCSVSOYEPZ-PSASIEDQSA-N 265.269 -0.494 50 20 CBGD C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329645029 QKTGHCNHBGLOIW-CIUDSAMLSA-N 281.312 -0.582 50 20 CBGD CC(C)n1ccc(CC(=O)NNC(=O)C(=O)NC2CC2)n1 1334860403 XRLIBUXCTAJHFE-UHFFFAOYSA-N 293.327 -0.568 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1ccns1 1337096874 VPDBXKYJGIERET-UHFFFAOYSA-N 256.287 -0.170 50 20 CBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)NCC1CC1 1345692903 UQVFLUPVCDPHQN-GXSJLCMTSA-N 281.360 -0.885 50 20 CBGD Cc1nc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)oc1C 1351662659 KURQBYMYFTXKPV-ZETCQYMHSA-N 281.272 -0.277 50 20 CBGD C=CCNC(=S)NNC(=O)c1cc2n(n1)CCC[C@H]2N 1574944269 ZBVARLAVUAYONG-MRVPVSSYSA-N 294.384 -0.028 50 20 CBGD N[C@@H]1C[C@H](C(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)[C@H]2C[C@H]21 1580401643 PSDAOTVNLYYSEB-DZDOAMSKSA-N 279.340 -0.315 50 20 CBGD CC(C)(O)C(=O)NN=Cc1nc(-c2nn[nH]n2)cs1 1589327337 TXXRNGDSNUBFNY-UHFFFAOYSA-N 281.301 -0.456 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 1593911396 KISDRKQZXWHXPN-VIFPVBQESA-N 296.235 -0.724 50 20 CBGD Cn1ccnc(NNC(=O)[C@H](C(=O)O)C(C)(C)C)c1=O 1594551700 SXUHEBMNZLOSLJ-SSDOTTSWSA-N 282.300 -0.030 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)n[nH]1 1605120414 CKBDOELCMXGVQV-JGVFFNPUSA-N 280.284 -0.020 50 20 CBGD Cn1cc(C(=O)O)c(NC(=O)NNC(=O)c2ccc[nH]2)n1 1608103236 QAKPYMMWWWZNFI-UHFFFAOYSA-N 292.255 -0.087 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccc(C(=O)O)n2C)cn1 1610600570 ZPRUCHOMLGKDFB-UHFFFAOYSA-N 291.267 -0.468 50 20 CBGD CC(C)c1cc(C(=O)NNC(=O)CN(C)C)n[nH]1 113424940 PZQBERSFHWKPEX-UHFFFAOYSA-N 253.306 -0.144 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccnc(-n2cccn2)c1 155129958 JOZRULKVXYTLGQ-UHFFFAOYSA-N 288.311 -0.410 50 20 CBGD C#C[C@H](C)NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 187721128 RKQFQDCGYIDCRB-VIFPVBQESA-N 299.294 -0.372 50 20 CBGD Cn1nnc2cc(C(=O)NNC(=O)C(C)(C)O)ccc21 276167105 AVEAVHLMKGUOSJ-UHFFFAOYSA-N 277.284 -0.500 50 20 CBGD CC[C@H](C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)C(=O)OC 293952284 QETGWIPPKVZQNY-YIZRAAEISA-N 272.301 -0.100 50 20 CBGD O=C1C[C@@H](CNS(=O)(=O)CCCCl)CN1 398306674 PROUZPORVODUQX-SSDOTTSWSA-N 254.739 -0.329 50 20 CBGD CC(C)(C)OC(=O)NC1CC(=NNC(=O)C(N)=O)C1 495657468 LJYGQRIKBLTNFY-UHFFFAOYSA-N 270.289 -0.369 50 20 CBGD C[C@@H]1CCN(C)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584945748 KQGZFQPHMKFCDO-SNVBAGLBSA-N 294.135 -0.328 50 20 CBGD CN(C)[C@@H]1CCC[C@@H](NC(=O)c2cccc(B(O)O)c2)C1 584960764 NBXOEIUWESFOIX-ZIAGYGMSSA-N 290.172 -0.031 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCCC[C@H](CO)C1 584965815 UAEVRMMMQIWFLD-NSHDSACASA-N 277.129 -0.399 50 20 CBGD CC(C)C[C@H](CO)NC(=O)c1ccc(B(O)O)c(F)c1 584967439 VXKGRPXIHMAUOG-SNVBAGLBSA-N 283.108 -0.358 50 20 CBGD C[C@@H](O)[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584971817 FKHJQGLFJZOFAB-MWLCHTKSSA-N 263.102 -0.791 50 20 CBGD C[S@@](=O)C1(CNC(=O)c2ccc(B(O)O)c(F)c2)CC1 584986502 GDWBWNFGVNIBGO-HXUWFJFHSA-N 299.132 -0.854 50 20 CBGD Cc1cnn([C@H]2CCN(C(=O)c3cccc(B(O)O)c3)C2)c1 584990297 BNOXAFKRZHGAPH-AWEZNQCLSA-N 299.139 -0.041 50 20 CBGD CCC(=O)N1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584999528 CENUNSTZOCRRDL-UHFFFAOYSA-N 294.091 -0.843 50 20 CBGD O=C(NCCNCc1ccc(B(O)O)cc1F)C1CC1 585019583 CVMFRHOUFCZJII-UHFFFAOYSA-N 280.108 -0.879 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1F)c1ncnn1C 585038292 ZAWKHOFGWQEXCU-QMMMGPOBSA-N 278.096 -0.515 50 20 CBGD O=C(NCB(O)O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 585056884 CXEANIMKGYNNDZ-UHFFFAOYSA-N 268.978 -0.755 50 20 CBGD CC(C)[C@@H](C(=O)NCB(O)O)N1C[C@H](C)O[C@H](C)C1 585059984 INNRSMGLSBYUEW-AXFHLTTASA-N 272.154 -0.752 50 20 CBGD O=C(NCB(O)O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 585061769 GKMUNNFQMZIROP-SSDOTTSWSA-N 298.054 -0.554 50 20 CBGD N#Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](B(O)O)C1 585072472 AXSRJBDTFBKMFM-MRVPVSSYSA-N 262.034 -0.085 50 20 CBGD CC(C)(C)C(=O)NCC(=O)NNC(=O)Cc1cccnc1 728891921 KWIDAEOKAHHBRL-UHFFFAOYSA-N 292.339 -0.066 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cn(C)nc1C 733262959 ZNVQOOMNTUPFLY-UHFFFAOYSA-N 262.273 -0.165 50 20 CBGD Cc1nn(C)c(C)c1CC(=O)NNC(=O)c1cnn(C)c1 735443885 IGDXTICICOZFDW-UHFFFAOYSA-N 290.327 -0.226 50 20 CBGD CN(C)C(=O)NNC(=O)CS(=O)(=O)C1CCCC1 746001731 UCUCNSGWIFFYDY-UHFFFAOYSA-N 277.346 -0.354 50 20 CBGD CS(=O)(=O)N1CC[C@@H](CNC=C(C#N)C#N)C1 753644613 KLOUQANVCOJOID-VIFPVBQESA-N 254.315 -0.211 50 20 CBGD COCc1ccccc1NC(=O)NNC(=O)CO 755807805 WQMCNVHTLYTPNH-UHFFFAOYSA-N 253.258 -0.022 50 20 CBGD C[C@@H](O)CN(C)CC(=O)NNC(=O)c1ccc(C#N)cc1 764279250 GKHCOXQQRUDYTK-SNVBAGLBSA-N 290.323 -0.368 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2nnc(O)nc2O)c(C)o1 765460938 XPAMDTAZQRXUGS-UHFFFAOYSA-N 293.239 -0.433 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cnn(C)c2)c(C)nn1 767541294 GFKRTSNBAXRACF-UHFFFAOYSA-N 274.284 -0.098 50 20 CBGD COC(=O)[C@H]1C[C@@H](C)CCN1CC(=O)NNC(=O)C1CC1 775807358 RPARKTHBBHLYMS-GXSJLCMTSA-N 297.355 -0.183 50 20 CBGD CC[C@H](CO)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 779831312 BTQIQJDKHMOBGY-MRVPVSSYSA-N 289.332 -0.323 50 20 CBGD O=C(CO)NNC(=O)c1cc(F)ccc1-n1cccn1 795237315 ACRRYUFMXIIFRG-UHFFFAOYSA-N 278.243 -0.235 50 20 CBGD Cc1cccc(C(=O)NNC(=O)c2n[nH]c(O)n2)n1 795678078 FISQONDFVORPFS-UHFFFAOYSA-N 262.229 -0.711 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1cnnn1C 809901546 QLJOGCNLQCXCLT-SSDOTTSWSA-N 286.292 -0.981 50 20 CBGD O=C(CNC(=O)c1cccnc1)NNC(=O)C(F)F 810573056 ZLSPEOWYJLBGJQ-UHFFFAOYSA-N 272.211 -0.776 50 20 CBGD COc1ncc(/C=C/C(=O)NN(C)[C@@H](C)CO)cn1 823935655 VAENRNLZZGZNSH-MOVJSRMASA-N 266.301 -0.158 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2ncncc2C1)c1ncccn1 843607269 XTFOGICHPABNIT-SECBINFHSA-N 298.306 -0.167 50 20 CBGD Cc1c(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cnn1C 843661911 QURVNWSBPJKOMT-MWLCHTKSSA-N 280.328 -0.157 50 20 CBGD CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNC(=O)C(=O)NC1CC1 854291513 CCEQSWAAYGBPGH-RKDXNWHRSA-N 283.328 -0.384 50 20 CBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCCO1 854683272 NGSASXAEGJMWNR-ZJUUUORDSA-N 269.301 -0.676 50 20 CBGD Cc1nc(Cl)cc(NNC(=O)[C@H]2CC(=O)N2)n1 854956235 GZRASPSZMHEHIU-RXMQYKEDSA-N 255.665 -0.230 50 20 CBGD COc1ccnc(NNC(=O)[C@@]2(O)CCOC2)n1 857436839 JZGOJLGPGHNYKB-SNVBAGLBSA-N 254.246 -0.920 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](NC=O)C(C)C)n1 858148626 FKVSLHUEURDNLI-LBPRGKRZSA-N 295.343 -0.582 50 20 CBGD Cc1ccc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 862450524 VTMANFTUVGMJOG-NSHDSACASA-N 275.308 -0.036 50 20 CBGD O=C1CC[C@H](C(=O)NN=Cc2ccc(O)cc2O)N1 863145399 AXAQPNQWOSUHML-SECBINFHSA-N 263.253 -0.174 50 20 CBGD O=C1O[C@@H](COc2ccc(B(O)O)cc2)CC12CC2 863865223 AFADVUHLBGEJST-LLVKDONJSA-N 262.070 -0.159 50 20 CBGD C[C@H](NC(=O)c1cccc(B(O)O)c1)C(C)(C)O 863875392 VETWMMKBRVTBHH-QMMMGPOBSA-N 251.091 -0.744 50 20 CBGD O=C(NC1(CCO)CC1)c1cc(B(O)O)ccc1F 868546088 ATDZAHYKLHRXSR-UHFFFAOYSA-N 267.065 -0.850 50 20 CBGD COCCOCC(=O)NNC(=O)CC[C@H](C)OC 869907936 UVIUMJIKZZEQFW-VIFPVBQESA-N 262.306 -0.388 50 20 CBGD COCCOCC(=O)NNC(=O)CCc1cccnc1 869911726 KITOWNRCAWHEMV-UHFFFAOYSA-N 281.312 -0.175 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CNC(=O)N1CCCC1 900221063 JGFOJEFCIWSIRQ-UHFFFAOYSA-N 270.333 -0.015 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CCOC[C@@H]1CCCO1 910170255 ISLXDRCABLTPFJ-MNOVXSKESA-N 260.334 -0.084 50 20 CBGD Cc1nc(Cl)cc(NNC(=O)[C@H]2OCCN(C)C2=O)n1 910942834 AQEYPEYTTZHJEV-SECBINFHSA-N 299.718 -0.261 50 20 CBGD COCC(C)(C)C(=O)NNC(=O)CN1CCCC1=O 913731591 NWHJLSVKYDPWJC-UHFFFAOYSA-N 271.317 -0.571 50 20 CBGD CN(C)CCOc1ccc(C=NNC(=O)C(N)=O)cc1 915935148 MHLKUWUADKIPAA-UHFFFAOYSA-N 278.312 -0.438 50 20 CBGD NNC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 917940316 DTUGAWMLRYPKTI-UHFFFAOYSA-N 260.253 -0.752 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1cccc(F)c1 919748487 KADFKRQVHFHOLY-UHFFFAOYSA-N 288.300 -0.440 50 20 CBGD O=C(NCCO[C@H]1CCOC1)NNc1cccnn1 927517945 LUJRZIOPPQAAHM-VIFPVBQESA-N 267.289 -0.092 50 20 CBGD O=C(NN=Cc1cc[nH]n1)N[C@H]1CCS(=O)(=O)C1 1116379780 CEXDONMVQACXKC-QMMMGPOBSA-N 271.302 -0.770 50 20 CBGD Cn1nncc1NNC(=O)CCN1CCCC1=O 1117724235 WGCXWVJSQKYVTL-UHFFFAOYSA-N 252.278 -0.729 50 20 CBGD CN(CCO)C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br 1118819190 DTNLHLLNVNXXJX-XVKPBYJWSA-N 293.161 -0.273 50 20 CBGD COc1cc(NC(=O)NNC(=O)CCO)ncn1 1254979691 FRAJLTIPQCURCJ-UHFFFAOYSA-N 255.234 -0.980 50 20 CBGD CC(=NNC(=O)CCO)c1cccc(S(N)(=O)=O)c1 1319072315 GLXQHIPNOJULOS-UHFFFAOYSA-N 285.325 -0.443 50 20 CBGD O=C(C=C1CCC1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1319194720 JBRQNAWSRKVJLW-SECBINFHSA-N 272.326 -0.321 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)C1(O)CCOCC1 1321448375 GUKNMBTYCSQOEJ-UHFFFAOYSA-N 280.284 -0.802 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@@H](C)n1ccnc1 1326739945 RLAZBVHYUWJQES-SECBINFHSA-N 281.316 -0.494 50 20 CBGD CS(=O)(=O)C1(C(=O)NNC(=O)NCC2CC2)CC1 1326798664 JXYQURLMHSYLOW-UHFFFAOYSA-N 275.330 -0.696 50 20 CBGD CCn1cc(C(=O)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cn1 1327149006 AFWOSCSWZDTCTD-WCBMZHEXSA-N 294.311 -0.342 50 20 CBGD C[C@H](NNC(=O)[C@H]1CCS(=O)(=O)C1)C(F)(F)F 1329064276 VRAFEUOOBHXBQG-WDSKDSINSA-N 274.264 -0.007 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)c1cnnc(O)c1 1329478893 AYJZPNCQGAMKSS-MRVPVSSYSA-N 266.257 -0.488 50 20 CBGD Cc1cnccc1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329754884 OIUXWENVHLWRRC-JTQLQIEISA-N 291.311 -0.501 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(O)cs1 1333778772 PCDQHNREGGFVSW-UHFFFAOYSA-N 271.298 -0.261 50 20 CBGD COc1ccc(C=NNC(=O)CCO)c(OCC(=O)O)c1 1339924150 FNIGZLCITJPDHT-UHFFFAOYSA-N 296.279 -0.009 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cnnn1C 1342524945 IFKADLBNUNFUTQ-UHFFFAOYSA-N 285.304 -0.635 50 20 CBGD O=C(CCO)NNC(=O)C(=O)Nc1ccc2c(c1)COC2 1342606051 DHLSUYKDNBDWCO-UHFFFAOYSA-N 293.279 -0.815 50 20 CBGD COC(=O)N1CCC(C(=O)NNc2cnnn2C)CC1 1347988536 UZLSWDFSKBXSCD-UHFFFAOYSA-N 282.304 -0.263 50 20 CBGD CN(Cc1ccon1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1351354359 WXJLYVCSUWBRIK-MRVPVSSYSA-N 281.272 -0.874 50 20 CBGD CNNC(=O)[C@H](CCC(N)=O)NC(=O)CCC1CCCC1 1578741850 XZDNXMCOFQLUNZ-NSHDSACASA-N 298.387 -0.042 50 20 CBGD C[C@@H](N)CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 1579401197 MGELXQIHZBATDU-KCJUWKMLSA-N 279.296 -0.289 50 20 CBGD N[C@H]1CC[C@@H](C(=O)NNC(=O)c2cn[nH]c2)CC1 1580415847 ZEEUNRXVQGPODZ-OTSSQURYSA-N 251.290 -0.312 50 20 CBGD CC[C@@H](CNC(=O)NNc1nnc(C)n1C)C(=O)O 1589539925 ZIHKNEKPASXYTP-ZETCQYMHSA-N 270.293 -0.140 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)CC1CCCC1 1593908634 JCNPGQPKKBPZAJ-SECBINFHSA-N 258.274 -0.186 50 20 CBGD Cc1ccc(C(=O)NNC(=O)NCCOCC(=O)O)o1 1600341126 OHOXSWFFYFUIGB-UHFFFAOYSA-N 285.256 -0.367 50 20 CBGD CCN(CC(=O)NNC(=O)C1CC1)C(C)(C)C(=O)O 1605413515 VMLBNBAISMAFIC-UHFFFAOYSA-N 271.317 -0.271 50 20 CBGD Cc1oc(C(=O)O)cc1C(=O)NNC(=O)C(C)(C)O 1608034180 SZJWCUROQUNHMM-UHFFFAOYSA-N 270.241 -0.182 50 20 CBGD O=C(NNc1nc[nH]n1)c1cc(-c2nn[nH]n2)c[nH]1 1609559776 DQZUFEBOSHIZSA-UHFFFAOYSA-N 260.221 -0.930 50 20 CBGD O=C(CO)NNC(=O)Nc1cc(C(=O)O)c(F)cc1F 1610667557 KYPIHVJBQPJEQP-UHFFFAOYSA-N 289.194 -0.192 50 20 CBGD CC(=O)NNC(=O)CCc1ccc(S(N)(=O)=O)cc1 23198877 JOWCVTQKCICWLQ-UHFFFAOYSA-N 285.325 -0.566 50 20 CBGD CC(=O)NCC(=O)NNC(=O)COCc1ccccc1 265598987 HNELNPKGGDLTSL-UHFFFAOYSA-N 279.296 -0.513 50 20 CBGD Cc1nc(C(=O)NNC(=O)[C@@H]2COCCO2)ccc1C#N 266739383 ZBCHMZMUUUKUOW-NSHDSACASA-N 290.279 -0.562 50 20 CBGD COC(=O)N(C)NC(=O)Cn1cc([N+](=O)[O-])nc1C 286187634 CVJZWARKAYKRQG-UHFFFAOYSA-N 271.233 -0.171 50 20 CBGD Cc1cccnc1NNC(=O)CCn1ncn(C)c1=O 294818556 FVPLBQZJKPWVOL-UHFFFAOYSA-N 276.300 -0.181 50 20 CBGD CNC(=O)NCCNS(=O)(=O)CBr 397448360 GWSWSLKZLVPZMQ-UHFFFAOYSA-N 274.140 -0.813 50 20 CBGD COCC[C@@H](C)C(=O)Nc1cccc(B(O)O)c1 405001642 NEXZIJPYSZHXTO-SECBINFHSA-N 251.091 -0.023 50 20 CBGD CCCCN(CC(N)=O)C(=O)c1cc(B(O)O)ccc1F 584927732 AWUKVSDUKMYURL-UHFFFAOYSA-N 296.107 -0.767 50 20 CBGD CC[C@](C)(C#N)NC(=O)c1ccc(B(O)O)c(F)c1 584936006 BRIIZONPEMJUBS-GFCCVEGCSA-N 264.065 -0.072 50 20 CBGD O=C(N[C@@H](CCO)C1CC1)c1ccc(B(O)O)cc1 584962718 KBUKLXIHMROGFK-LBPRGKRZSA-N 263.102 -0.743 50 20 CBGD O=C(N[C@H](CO)CC1CCC1)c1cc(B(O)O)ccc1F 584992600 PYQWQMBEMINKSW-NSHDSACASA-N 295.119 -0.214 50 20 CBGD C[C@@H](Cc1cnn(C)c1)NC(=O)c1cccc(B(O)O)c1 584996574 LXPVVTSXQZISAD-JTQLQIEISA-N 287.128 -0.539 50 20 CBGD CC[C@@H]1OCC[C@H]1NC(=O)c1ccc(B(O)O)cc1 584998926 SQYQWSKBEHWEIZ-NEPJUHHUSA-N 263.102 -0.336 50 20 CBGD CO[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C[C@@H]1C 584999441 UZYQBJOKPQKPAG-GWCFXTLKSA-N 277.129 -0.137 50 20 CBGD CC[C@@H](NC(=O)c1ccc(B(O)O)cc1)[C@@H](O)C(C)C 585001771 CUPIXPMEJLASLY-OLZOCXBDSA-N 279.145 -0.108 50 20 CBGD CN(C)C(C)(C)CNCc1ccccc1B(O)O 585014427 QZZFTIKYNWHMFW-UHFFFAOYSA-N 250.151 -0.204 50 20 CBGD CC(C)CN1CCO[C@H](CNCc2ccc(B(O)O)o2)C1 585016269 LAHGOEUHLZUWQP-CYBMUJFWSA-N 296.176 -0.594 50 20 CBGD CCN(CCNCc1cccc(B(O)O)c1)C1CC1 585021663 YLMPCBIRDMENER-UHFFFAOYSA-N 262.162 -0.060 50 20 CBGD COc1ccccc1[C@H](CO)NCc1ccc(B(O)O)o1 585023849 QNPBSFVZEFKYCJ-LBPRGKRZSA-N 291.112 -0.209 50 20 CBGD OC[C@@H](C1CC1)[C@H](NCc1ccc(B(O)O)o1)C1CC1 585043384 LETSEYIZCNXIGG-GXTWGEPZSA-N 279.145 -0.154 50 20 CBGD Nc1c(N2CC[C@@H](B(O)O)C2)ncnc1-n1cccn1 585078886 OUULLTJGQSNEDQ-MRVPVSSYSA-N 274.093 -0.702 50 20 CBGD CN(C)c1cccc(C(=O)NNC(=S)NCC(N)=O)c1 727066756 UPWUGPFIZXBLGJ-UHFFFAOYSA-N 295.368 -0.653 50 20 CBGD COCCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 728160937 DRQUJLPCLOWEQQ-SECBINFHSA-N 264.347 -0.485 50 20 CBGD CC[C@@H](C)C(=O)NNC(=S)NCCS(C)(=O)=O 729154384 VQIIHINKLGLWLD-SSDOTTSWSA-N 281.403 -0.428 50 20 CBGD O=C1CC(C(=O)NNC(=O)CC2CCCC2)=NN1 732280999 MBUVMEIMUNEETK-UHFFFAOYSA-N 252.274 -0.410 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCCC(=O)O)cn1 738404326 BBOHDMMLLCXHDO-UHFFFAOYSA-N 269.261 -0.771 50 20 CBGD CC[C@H](C)OCC(=O)NNC(=O)CNC(=O)c1ccco1 751833193 ZYRHZCWRIZNMBO-VIFPVBQESA-N 297.311 -0.028 50 20 CBGD C[C@H]1Oc2ccc(NC(=O)NNC(=O)CO)cc2NC1=O 755559257 RLNMZEYFZBHXSI-ZCFIWIBFSA-N 294.267 -0.449 50 20 CBGD CCNC(=O)NNC(=O)C(=O)N1CCC[C@H](C)C1 767722881 NIAWDBHSSDLOPO-QMMMGPOBSA-N 256.306 -0.405 50 20 CBGD C#CCOCCC(=O)NNC(=S)NCCSC 770248405 XXLAGZBJJVWKAJ-UHFFFAOYSA-N 275.399 -0.115 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)[C@H]1CCCOC1 779774224 SHFYKUQWMBFDHX-UWVGGRQHSA-N 291.373 -0.157 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21 780854704 FIMKKNWRSKYTEA-IWSPIJDZSA-N 269.301 -0.917 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCC(=O)c2cccn21 790637575 YDXKPLPUTMBZEL-JTQLQIEISA-N 278.312 -0.285 50 20 CBGD O=C(CC1OCCCO1)NNC(=O)N1CCOCC1 793271793 ALJFNTAAJRYYNB-UHFFFAOYSA-N 273.289 -0.788 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](OC)C1CC1 795827616 GHXVMYZVPRHUAI-XCBNKYQSSA-N 272.301 -0.100 50 20 CBGD CCCN(C)CC(=O)NNC(=O)N=c1cc[nH]cc1 802024592 RPKYLLANYIDSNF-UHFFFAOYSA-N 265.317 -0.002 50 20 CBGD COCCO[C@@H](C)C(=O)NN=C(C)c1cnnn1C 814864501 FBFFHWZCJWEVRJ-VIFPVBQESA-N 269.305 -0.293 50 20 CBGD CC[C@H](CS(=O)(=O)NNC(=O)[C@@H]1CCCCO1)OC 817353934 XTSASENBFMUFNL-ZJUUUORDSA-N 294.373 -0.069 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCn1ccnc1 825583276 MZRVVDLUKIGQJO-NXEZZACHSA-N 281.316 -0.362 50 20 CBGD CC(C)(C)NCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 827015016 BLQQOEGWXBWFHR-QMMMGPOBSA-N 270.333 -0.809 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCCNC(=O)[C@@H]1C 827274291 MYVUXNYXOJYVHW-LPEHRKFASA-N 298.343 -0.637 50 20 CBGD O=C(COCc1ccccc1)NNC(=O)C[C@@H]1CC(=O)N1 828320285 ZWWPTGPQEFKJCI-NSHDSACASA-N 291.307 -0.371 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CCc2ccccc2O1 839720843 LJIMVJVOJQAWQD-JTQLQIEISA-N 250.254 -0.480 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1n[nH]cc1[N+](=O)[O-] 843977054 FGIOCBZCRYXORP-WDSKDSINSA-N 283.244 -0.496 50 20 CBGD NC[C@H]1CN(S(=O)(=O)CBr)CCCO1 850589395 UBTRGXAWKCNMPC-ZETCQYMHSA-N 287.179 -0.282 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=S)N[C@@H](C)C1CC1 855103483 WKMOWTIYUQXREY-ZETCQYMHSA-N 288.373 -0.022 50 20 CBGD C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)c1cc[nH]n1 855355592 AUAAJBMXSVSXKQ-LKEWCRSYSA-N 252.274 -0.016 50 20 CBGD Cc1nnc2n1C[C@@H](C(=O)NNC(=O)c1cc[nH]n1)CC2 855357861 RXGXBVRCDZHGOO-QMMMGPOBSA-N 289.299 -0.667 50 20 CBGD C[C@]1(CNC(=O)[C@@H](CO)NC(N)=O)C[C@H]1Br 857735227 YYHROVDBAUSCJP-HCVRKRLWSA-N 294.149 -0.695 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2ccc(F)nc2F)N1 861141698 DJILUIYTYWBOSE-LURJTMIESA-N 299.237 -0.209 50 20 CBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)[C@H]1CCCCO1 861852726 JPJREANGLCRWHR-ZJUUUORDSA-N 271.317 -0.527 50 20 CBGD CCO/C=C(/C#N)C(=O)N(CCO)CCOCCO 862246923 WEUIKWKMUAYOTB-KHPPLWFESA-N 272.301 -0.740 50 20 CBGD O=C1CC[C@@H](C(=O)NN=C2CC(=O)N3CCCC[C@@H]23)N1 863151051 CIMDMNDZRXGIET-WPRPVWTQSA-N 278.312 -0.478 50 20 CBGD CN(C)c1ncc(C=NNC(=O)c2cn[nH]c2)n1C 863154187 QNJPVUYNFJPFMN-UHFFFAOYSA-N 261.289 -0.027 50 20 CBGD CC[C@@H]1CC[C@H](C(=O)NNC(=O)CS(C)(=O)=O)O1 863462543 RBLGQWSGONVFHP-HTQZYQBOSA-N 278.330 -0.864 50 20 CBGD CC1(C)OC[C@H](CNC(=O)c2ccc(B(O)O)cc2)O1 863876149 OZSCDUZVTZVJAR-NSHDSACASA-N 279.101 -0.752 50 20 CBGD CCOC(=O)[C@H](C)NC(=O)c1ccc(B(O)O)cc1 864980383 HSABSOAKDHRHQU-QMMMGPOBSA-N 265.074 -0.952 50 20 CBGD CC[C@]1(O)CCCN(C(=O)c2cccc(B(O)O)c2)C1 870678305 QNEPFQCLAXOAEU-AWEZNQCLSA-N 277.129 -0.257 50 20 CBGD CCN(C)C(=O)[C@@H](C)NC(=O)NN(C)C(=O)OC 875526420 SFRCRGTVUSTJOW-SSDOTTSWSA-N 260.294 -0.234 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)Nc2ccccc2)C1=O 908050423 XIVNNVPCPALTMG-SNVBAGLBSA-N 292.295 -0.304 50 20 CBGD O=C(CCC(=O)N1CCOCC1)NNC(=O)C1CC1 913415826 QSLXFUCMAYTWBR-UHFFFAOYSA-N 269.301 -0.817 50 20 CBGD NC(=O)C(=O)NN=c1c(=O)c2cccc3cccc1c32 916272499 YKXYKXKRJUITEK-UHFFFAOYSA-N 267.244 -0.354 50 20 CBGD Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NN)c1 916665625 SHQUJQLSHCRICG-UHFFFAOYSA-N 271.342 -0.038 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CCCN(C(C)=O)C1 920858243 UXOOQKBGOQWGKN-SECBINFHSA-N 256.306 -0.405 50 20 CBGD CCO[C@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 932974785 XKXMCBIBHZMYSK-JTQLQIEISA-N 255.318 -0.345 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)CC1(O)CCOCC1 1116713511 NRKPCBSPLLMKNB-UHFFFAOYSA-N 285.344 -0.983 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1c(C)cnn1C 1117106111 PTRBCQMKOORMDF-UHFFFAOYSA-N 261.307 -0.759 50 20 CBGD C[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)[C@@H]1CN(C)CCO1 1118805626 GGXBVUUDEISLRY-SCZZXKLOSA-N 296.331 -0.927 50 20 CBGD O=C(NNC(=O)C1CCOCC1)c1cnccn1 1119284372 DYEDSEMXTKTZPM-UHFFFAOYSA-N 250.258 -0.336 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)CC1COC1 1262172863 LZOFCFQLBQWFDZ-UHFFFAOYSA-N 274.317 -0.041 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1n[nH]c2c1CCC2 1317864552 RGQBCXWAMLFNNZ-UHFFFAOYSA-N 279.300 -0.816 50 20 CBGD COC(=O)C(=O)NN=C1CCCC[C@@H]1S(C)(=O)=O 1318912032 QGFGEDBPLYRMGL-QMMMGPOBSA-N 276.314 -0.381 50 20 CBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C1=CCCC1 1319204288 PUEOVVXUIDNIJD-VIFPVBQESA-N 272.326 -0.321 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](C)[C@H](C(=O)O)C1 1326502545 XIPZGOWKNWCBRH-LPEHRKFASA-N 285.344 -0.025 50 20 CBGD Cc1cc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccn1 1328717232 OZDPGUDWXITHHV-JTQLQIEISA-N 291.311 -0.501 50 20 CBGD O=C(Cn1cc(C2CC2)nn1)N1CC[C@H](B(O)O)C1 1330262057 KNUWFEYJPURXGJ-VIFPVBQESA-N 264.094 -0.769 50 20 CBGD COCCCNC(=O)NNC(=O)c1cn(C)nc1OC 1330845941 VOGKEHCYGGGLJW-UHFFFAOYSA-N 285.304 -0.591 50 20 CBGD CCCNC(=O)NNS(=O)(=O)c1c(N)noc1C 1332539441 YFQMQPPUFNWXJX-UHFFFAOYSA-N 277.306 -0.532 50 20 CBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)c2ccncc2)nn1 1333244553 IPQYQXUBRRXAON-MRVPVSSYSA-N 290.283 -0.812 50 20 CBGD O=C1CCC(NC(=O)c2cc(B(O)O)ccc2F)CC1 1333462190 SIPVVHNPFPVCSK-UHFFFAOYSA-N 279.076 -0.253 50 20 CBGD O=C(NNc1ccccn1)c1cnn(C[C@@H](O)CO)c1 1334375236 YTJADCZSAVWEGE-SNVBAGLBSA-N 277.284 -0.612 50 20 CBGD CC(C)(C(=O)NNC(=O)CS(C)(=O)=O)c1ccccn1 1335369387 ZEGDDPVSFIZLEE-UHFFFAOYSA-N 299.352 -0.449 50 20 CBGD C[C@]1(CNC(=O)C(=O)NCCN)C[C@@H]1Br 1347977480 GZKLYRAZQYVDQU-IMTBSYHQSA-N 278.150 -0.649 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@]2(CN)CCCOC2)n1 1579145912 DXAZGSGXENSHEK-ZDUSSCGKSA-N 295.343 -0.008 50 20 CBGD C[C@H]1[C@@H](CNCCn2cnc(-c3nn[nH]n3)n2)[C@@H]1Cl 1590169625 QEJHYLHLSJCSGV-XLPZGREQSA-N 282.739 -0.079 50 20 CBGD CN1CCN(C(=O)NN=Cc2cccn2CC(=O)O)CC1 1593781240 QZRLFEOZACRIES-UHFFFAOYSA-N 293.327 -0.136 50 20 CBGD Cc1ncc(NC(=O)NNC(=O)CO)cc1C(=O)O 1600744547 ZSXPQWGJJVOPOX-UHFFFAOYSA-N 268.229 -0.767 50 20 CBGD O=C(NNC(=O)C12CC(C(=O)O)(C1)C2)[C@@H]1CCCCO1 1610699039 CBTOGHOXMNTBAP-LHKGTJRUSA-N 282.296 -0.042 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CCCO1 43108789 VPKVOHVBBNDSBQ-SECBINFHSA-N 281.268 -0.664 50 20 CBGD O=C(NNC(=O)c1ccccn1)c1ccc[n+]([O-])c1 48433112 LQHKFNAESZYCKZ-UHFFFAOYSA-N 258.237 -0.210 50 20 CBGD CNC(=O)NNC(=O)c1ccc(-n2cccn2)nc1 56375837 KNHDPILOPJSZNL-UHFFFAOYSA-N 260.257 -0.159 50 20 CBGD CCNC(=O)CNS(=O)(=O)CBr 126651903 OHUGULQXUAJVRQ-UHFFFAOYSA-N 259.125 -0.606 50 20 CBGD CC(=O)NCC(=O)NNC(=O)CNc1ccccc1 193173058 URRAPZSMUAMNLI-UHFFFAOYSA-N 264.285 -0.618 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@H]1CN(C)CCO1 266867250 WCOBLGPBXSMYOZ-GFCCVEGCSA-N 293.323 -0.213 50 20 CBGD CC(=O)NNC(=O)c1cc(S(N)(=O)=O)cc(C)c1C 269836320 KOEGQOYIWBPKDS-UHFFFAOYSA-N 285.325 -0.268 50 20 CBGD COc1cccc(C[C@H](C(=O)NN)n2nnnc2C)c1 270234172 PHSLXAXUPVJATI-LLVKDONJSA-N 276.300 -0.236 50 20 CBGD O=C(NNC(=O)C1CC1)c1cncc(-n2ccnn2)c1 283678269 TWYBLHUVUZTZNL-UHFFFAOYSA-N 272.268 -0.167 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1OC[C@H]2COCC[C@H]21 290442841 HXTCRTZYJHGDOV-OPRDCNLKSA-N 285.369 -0.281 50 20 CBGD CN(CCC(N)=O)S(=O)(=O)CBr 379325250 BMFPXQBQDOPFJZ-UHFFFAOYSA-N 259.125 -0.524 50 20 CBGD C[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@@H]1CCCO1 584930233 YDLCYXJWAVXLOK-UFBFGSQYSA-N 281.092 -0.197 50 20 CBGD C[C@@H]1CSCCN1C(=O)c1ccc(B(O)O)cc1 584951195 WELSCHGALWPOFH-SECBINFHSA-N 265.143 -0.056 50 20 CBGD CC[C@@](C)(O)CNC(=O)c1cc(B(O)O)ccc1F 584955753 WJAFUGXLQDHPFU-GFCCVEGCSA-N 269.081 -0.604 50 20 CBGD CC1(O)CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584962859 SALNXNWYSSJRTD-UHFFFAOYSA-N 281.092 -0.508 50 20 CBGD O=C(N[C@H]1CC[C@@H](CO)CC1)c1ccc(B(O)O)cc1 584962991 NVKMGGCUMJMCPE-GSJFWJNXSA-N 277.129 -0.353 50 20 CBGD O=C(N[C@@H]1CCCOCC1)c1ccc(B(O)O)c(F)c1 584970447 CKLJNGIWYSMCNM-SNVBAGLBSA-N 281.092 -0.196 50 20 CBGD CCN1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H](C)C1 584988262 JMOIKHOCLCUZMC-LLVKDONJSA-N 276.145 -0.467 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@@H](O)CC1 584995215 SIVVMBMIUPQPBR-SNVBAGLBSA-N 281.092 -0.508 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1[C@H]2CC[C@H]1COC2 584997534 DUZAQKZLGLNLIK-RYUDHWBXSA-N 261.086 -0.630 50 20 CBGD C[C@H]1CC[C@@H](O)CN1C(=O)c1ccc(B(O)O)c(F)c1 584999233 DRLXOGMZNCCBMC-WCBMZHEXSA-N 281.092 -0.509 50 20 CBGD C[C@H]1[C@H](O)CCCN1C(=O)c1ccc(B(O)O)c(F)c1 585000043 WJBYKNFWGRKHKZ-QPUJVOFHSA-N 281.092 -0.509 50 20 CBGD OC[C@H](CC(F)(F)F)NCc1ccc(B(O)O)cc1 585032713 ZALMXAKZESDTLG-JTQLQIEISA-N 277.051 -0.231 50 20 CBGD C[C@H](C[S@](C)=O)NCc1ccc(B(O)O)cc1F 585034948 NSBWCEQNSQNTKE-CVJBHZAOSA-N 273.138 -0.638 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccccn1 728436268 FAWVWMRKVOVXSW-MRVPVSSYSA-N 270.314 -0.531 50 20 CBGD COCCCNC(=O)NNC(=O)CCn1ccnn1 732062592 FZWSDRHKEKRUAU-UHFFFAOYSA-N 270.293 -0.965 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](C(=O)O)C1 736847028 JKHBGGJZCZQTSD-DTWKUNHWSA-N 271.317 -0.271 50 20 CBGD COc1ccc(C(=O)NNC(=O)c2cnn(C)c2)nn1 737570853 UJABASYTVANJAJ-UHFFFAOYSA-N 276.256 -0.707 50 20 CBGD Cn1cc(CC(=O)NNC(=O)N2CCOCC2)cn1 751387325 RBOQMGDMQRUPMA-UHFFFAOYSA-N 267.289 -0.964 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(CC)C(=O)C1 755289620 GUOSYBZJVLAROK-SECBINFHSA-N 270.333 -0.904 50 20 CBGD NC(=O)CSc1ccccc1NC(=O)NNC(=O)CO 755807038 ZJMSZTASYPQMFT-UHFFFAOYSA-N 298.324 -0.591 50 20 CBGD Cc1ncc(NC(=O)NNC(=O)Cc2cc[nH]n2)cn1 756369628 TXRRZUYCUIXUBV-UHFFFAOYSA-N 275.272 -0.096 50 20 CBGD CCOC(=O)[C@H]1CCC(=NNC(=O)C(N)=O)[C@@H](C)C1 761250484 BFGARHAVNSWWHN-YUMQZZPRSA-N 269.301 -0.057 50 20 CBGD CCOC(=O)CCN(C)[C@H](C)C(=O)NNC(=O)CC 764236902 VNHPTJPOTMGVQL-SECBINFHSA-N 273.333 -0.183 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C(C)(C)CO 772073763 BKHFEZNDVSYZJR-ZETCQYMHSA-N 260.290 -0.506 50 20 CBGD COc1nc(C)ccc1C(=O)NNC(=O)CN(C)C 777521929 LZDJVVBIEXXEQG-UHFFFAOYSA-N 266.301 -0.279 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CN2CCN(C)C(=O)C2)o1 780875339 REJVVJLSYYZBIR-UHFFFAOYSA-N 294.311 -0.877 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=S)NCC=C 798304650 FKBJASUYFNJZNJ-JTQLQIEISA-N 266.370 -0.235 50 20 CBGD CCc1c(C(=O)NNC(=O)N2CCN(C)CC2)cnn1C 807380751 OOIVJXNAIQUDOB-UHFFFAOYSA-N 294.359 -0.416 50 20 CBGD CC[C@H](CO)N[C@@H](C)C(=O)NNC(=O)CC(C)C 816831468 UIBNHUQYLWCKGN-VHSXEESVSA-N 259.350 -0.071 50 20 CBGD CC(C)[C@@H](NS(C)(=O)=O)C(=O)NN(C)C1CC1 819647004 HKTZQJYOLWQQSI-SECBINFHSA-N 263.363 -0.314 50 20 CBGD CCO/C=C(\C#N)C(=O)NNC(=O)N1CCN(C)CC1 819720920 IJQARYFDEKIACM-MDZDMXLPSA-N 281.316 -0.581 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc(-c2nn[nH]n2)cs1 821583431 VDRXWYAVOPZSCX-UHFFFAOYSA-N 295.328 -0.749 50 20 CBGD CNC(=S)N(C)NC(=O)c1cc(OC)ncn1 822548255 ZKTLJOAZHDZRAG-UHFFFAOYSA-N 255.303 -0.434 50 20 CBGD CCN(CCO)NC(=O)[C@H](C)Sc1nncn1C 823852457 HXCYCXMBEKQUNP-QMMMGPOBSA-N 273.362 -0.359 50 20 CBGD CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ncccn1 841354317 MOJZHAWCNHVSMH-JGVFFNPUSA-N 250.258 -0.337 50 20 CBGD CC[C@H]1COCC1=NNC(=O)[C@H]1CCS(=O)(=O)C1 853285575 WUFQLOCHLGQPQY-IUCAKERBSA-N 274.342 -0.050 50 20 CBGD CC(C)[C@@H](C(=O)NNC(=O)c1cc[nH]n1)N1CCCC1=O 855359389 PYGLRFQBBDYTNN-NSHDSACASA-N 293.327 -0.182 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)C2CCC2)[nH]1 857121353 XQOSQPJKQRWOMW-UHFFFAOYSA-N 250.258 -0.325 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CCc2cc(F)ccc21 857170627 QAFHGOJCQUZYPI-SNVBAGLBSA-N 252.245 -0.005 50 20 CBGD CO[C@H]1C[C@H](NC(=O)NNC(=O)c2cnn(C)c2)C1 858984782 VMMYGUYQZBVJHV-KYZUINATSA-N 267.289 -0.459 50 20 CBGD COc1cc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)[nH]n1 861378803 AWZMLSIDGDGIOS-RQJHMYQMSA-N 283.288 -0.004 50 20 CBGD CSC(C)(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862463962 PNIGNRRHYIZSMI-ZCFIWIBFSA-N 259.331 -0.446 50 20 CBGD COC(=O)c1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)n1C 863149484 AOXVAENREFMODY-SECBINFHSA-N 292.295 -0.460 50 20 CBGD CCOC(=O)[C@H](C)CNC(=O)c1ccc(B(O)O)cc1 863875737 BWRVYKUGKVMRSV-SECBINFHSA-N 279.101 -0.705 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1cn[nH]c1 863927920 VGDUCLVQNWGJPC-WCBMZHEXSA-N 266.301 -0.085 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)Cc1cc(C)[nH]n1 869012125 GZEBYZJAIJRJDU-LBPRGKRZSA-N 289.339 -0.494 50 20 CBGD OB(O)c1cccc(CNCCO[C@@H]2CCCCO2)c1 894795115 RQCRDFRHSBASCH-CQSZACIVSA-N 279.145 -0.001 50 20 CBGD CN(C)CC(=O)NNC(=O)CN(C)CCc1ccccc1 896128005 FMADFASCFFUIKD-UHFFFAOYSA-N 292.383 -0.130 50 20 CBGD C[C@H](NCc1ccccc1B(O)O)[C@H](C)C(=O)O 901444421 GOCUXYGMHBJNHV-IUCAKERBSA-N 251.091 -0.435 50 20 CBGD Cc1ccccc1CC(=O)NNC(=O)CN1CC[C@@H]1CO 934017632 QNPKFXTUDWUCLX-CYBMUJFWSA-N 291.351 -0.248 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(F)nc1 1116730394 MEHGUOWNNSJICD-UHFFFAOYSA-N 283.263 -0.148 50 20 CBGD CCCNC(=O)NNC(=O)C1CCN(C(C)=O)CC1 1251292957 ITYHLKFZXNRSJO-UHFFFAOYSA-N 270.333 -0.015 50 20 CBGD Cc1cccc(NNC(=O)c2cn(CC(N)=O)nn2)c1 1252237130 IOKGILJNQFNXAA-UHFFFAOYSA-N 274.284 -0.171 50 20 CBGD Cc1nc(O)nc(S)c1C(=O)NN(C)[C@H](C)CO 1263844583 IOPZSTYECDRFCV-RXMQYKEDSA-N 272.330 -0.263 50 20 CBGD CN1N=C(C(=O)NNC(=O)CC(F)(F)F)CCC1=O 1317928506 NGNQPYMAFAAKIM-UHFFFAOYSA-N 280.206 -0.306 50 20 CBGD CCN1CCC[C@H]1CNC(=S)NNC(=O)C(=O)OC 1318912556 VAYRPXMSXFIDMO-QMMMGPOBSA-N 288.373 -0.861 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CCC[C@H]1OC 1319931122 YVBGUAIDEBYTPD-JGVFFNPUSA-N 273.289 -0.695 50 20 CBGD CCc1nnc(C)cc1C(=O)NNC(=O)C(=O)NC(C)C 1323861251 DOVCUDAUUJCRBK-UHFFFAOYSA-N 293.327 -0.367 50 20 CBGD CCNC(=O)CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1326111786 OFLDWODBIBUPQI-SECBINFHSA-N 291.373 -0.995 50 20 CBGD NC(=O)c1ccc(C(=O)N2CC[C@H](B(O)O)C2)s1 1329214281 DSOYBNLHMJBTOR-LURJTMIESA-N 268.103 -0.464 50 20 CBGD NC(=O)c1ccc(OCC(=O)N2CC[C@@H](B(O)O)C2)cc1 1329216544 XYABMXWOYSBEGK-SNVBAGLBSA-N 292.100 -0.760 50 20 CBGD O=C(NNC(=S)NCC1CC1)c1cnccn1 1329353549 GDZLJFVJMWXJCC-UHFFFAOYSA-N 251.315 -0.005 50 20 CBGD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H](B(O)O)C1 1329673035 VCZGYVMGQGWBJR-RXMQYKEDSA-N 254.011 -0.993 50 20 CBGD CC(C)NC(=S)NNC(=O)Cn1ccccc1=O 1330160878 KQPKXXZJYDPTLT-UHFFFAOYSA-N 268.342 -0.248 50 20 CBGD CNC(=O)c1cccc(C(=O)NN(C)[C@@H](C)CO)n1 1330262587 WFAQLZMQTXBRRK-QMMMGPOBSA-N 266.301 -0.601 50 20 CBGD O=C(NNC(=O)N1CCC2(CC1)OCCO2)c1cn[nH]c1 1331537142 PHJKYZOAPGJYSM-UHFFFAOYSA-N 295.299 -0.397 50 20 CBGD CCNC(=O)CN(CC)C(=O)NNC(=O)c1cn[nH]c1 1331537666 ZEOVIAPQWMTXEI-UHFFFAOYSA-N 282.304 -0.778 50 20 CBGD CC[C@]1(C(=O)NNC(=S)NC(C)C)CCNC1=O 1335450500 ZNDWTXXQGBYUHO-NSHDSACASA-N 272.374 -0.194 50 20 CBGD C[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)[C@@H]1CCC(=O)N1 1351381788 PJLGGAQTAFMYPP-APPZFPTMSA-N 279.300 -0.986 50 20 CBGD O=C(c1cccc(-n2cccn2)n1)N1CC[C@@H](B(O)O)C1 1351729128 MWOVXDFZUOZFKQ-SNVBAGLBSA-N 286.100 -0.044 50 20 CBGD N#CC1=CCN(Cc2cc(=O)n3[nH]c(N)nc3n2)CC1 1412960523 FXMTWSMVNQADBN-UHFFFAOYSA-N 271.284 -0.345 50 20 CBGD Cc1cc(=NNC(=O)[C@H]2CN3CCN2C[C@@H]3C)cc[nH]1 1520352359 KQRGGTFCSFQDJA-WCQYABFASA-N 275.356 -0.357 50 20 CBGD C[C@]1(C(=O)NNC(=O)NCCN)C[C@@H]1Br 1576351350 YMMQHASAMOMKLZ-XNCJUZBTSA-N 279.138 -0.551 50 20 CBGD COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN 1578810819 BPFRPJOUVCRTEH-SSDOTTSWSA-N 275.305 -0.177 50 20 CBGD Cc1cnc(F)c(C(=O)NNC(=O)[C@H]2CCN2)c1 1579822187 MPBHXXDBFXVVIS-MRVPVSSYSA-N 252.249 -0.348 50 20 CBGD O=C(NNC(=O)[C@H]1CCN1)c1cc2ccccc2oc1=O 1580733524 XCANVJRCPZWCMV-SNVBAGLBSA-N 287.275 -0.084 50 20 CBGD C[C@@](NC(=O)c1ccc(B(O)O)cc1)(C(=O)O)C1CC1 1593156931 RNHORLVKIMWFTO-ZDUSSCGKSA-N 277.085 -0.651 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CCSCC(=O)O 1593456532 ISGQHNSTIRWTOM-SSDOTTSWSA-N 250.320 -0.462 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2csc(C(=O)O)n2)n[nH]1 1607579742 FLBNVHQDJONEOR-UHFFFAOYSA-N 295.280 -0.052 50 20 CBGD O=C(CN1CC[C@@H](O)C1)NNC(=O)c1ccccc1 61708417 PVTFDZFHWZVKNI-LLVKDONJSA-N 263.297 -0.486 50 20 CBGD CN1C(=O)C[C@H](NS(=O)(=O)CBr)C1=O 127515923 MXYDSYJVFYAZBS-BYPYZUCNSA-N 285.119 -0.985 50 20 CBGD COc1cc(C(=O)NNC(=O)Cn2nc(C)cc2C)on1 182124087 YOLQRUYSHAFXMU-UHFFFAOYSA-N 293.283 -0.042 50 20 CBGD NC(=O)[C@@H]1CN(S(=O)(=O)CCCCCl)CCO1 184412496 RBAMFAAYILKROA-QMMMGPOBSA-N 284.765 -0.479 50 20 CBGD C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)CN(C)C 247249432 NMWLVWTVEBMROL-OUAUKWLOSA-N 270.377 -0.043 50 20 CBGD CN(C)C/C=C/C(=O)NNC(=O)NCC(F)(F)F 281317428 SODXVKGOVRVLGB-ONEGZZNKSA-N 268.239 -0.003 50 20 CBGD COC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)c1cnn(C)c1 285516204 OMQACCSULCXTAM-RKDXNWHRSA-N 280.284 -0.620 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)[C@@H]1CCCO1 292077359 FIRFRQWQSMCEEB-BQBZGAKWSA-N 259.262 -0.943 50 20 CBGD COCCN(C)NC(=O)CNC(=O)COc1ccccc1 293694657 SOWSZRPEDLFWLP-UHFFFAOYSA-N 295.339 -0.209 50 20 CBGD CO[C@@H](C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)c1cnn(C)c1 294235665 NAFOHZZBQZGWKN-INTQDDNPSA-N 296.327 -0.178 50 20 CBGD CNC(=O)NCCC(=O)NNc1nc2ccccn2n1 294790060 CJAOOVSWVYEEPJ-UHFFFAOYSA-N 277.288 -0.509 50 20 CBGD CCOC(=O)NNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 490596527 OBXUOIQMYQLCSC-IUCAKERBSA-N 297.311 -0.061 50 20 CBGD COC(=O)NNC(=O)[C@H]1CC(=O)N(CC(C)C)C1 496419514 XLZURLZWGUVCSJ-QMMMGPOBSA-N 257.290 -0.122 50 20 CBGD COC(=O)NNC(=O)c1cccc(OCC(N)=O)c1 496568397 GYXDBARWQLFIDU-UHFFFAOYSA-N 267.241 -0.449 50 20 CBGD NC(=O)N1CCC(C(=O)Nc2cccc(B(O)O)c2)CC1 584911235 ZRYPEKKIYQDSMS-UHFFFAOYSA-N 291.116 -0.904 50 20 CBGD CN(C)[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584939788 KWWVADGNJUFQPS-CYBMUJFWSA-N 276.145 -0.467 50 20 CBGD CCC[C@H](O)CNC(=O)c1ccc(B(O)O)c(F)c1 584960763 UKHGUYPGHGVWHF-VIFPVBQESA-N 269.081 -0.604 50 20 CBGD C[C@H](O)[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584971815 FKHJQGLFJZOFAB-GXSJLCMTSA-N 263.102 -0.791 50 20 CBGD CC(C)(O)CN(C(=O)c1cc(B(O)O)ccc1F)C1CC1 584975227 UUTLASMTXFMOSR-UHFFFAOYSA-N 295.119 -0.119 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCO[C@H](C2CC2)C1 584977251 OLESUYDLOGQBEO-ZDUSSCGKSA-N 293.103 -0.244 50 20 CBGD O=C(NCCCOC(F)F)c1ccc(B(O)O)cc1 584987505 PSZAZYRRJUSTDI-UHFFFAOYSA-N 273.044 -0.275 50 20 CBGD C[C@@H](NCc1ccccc1B(O)O)c1nncn1C 585022312 LYOWUJAJRCTCNT-SECBINFHSA-N 260.106 -0.654 50 20 CBGD CCNC(=O)N1CC[C@H](NCc2ccccc2B(O)O)C1 585031421 UOXXLLIWKLBKIQ-LBPRGKRZSA-N 291.160 -0.740 50 20 CBGD C[C@H](NCc1ccc(B(O)O)o1)[C@H]1CCCOC1 585035030 XIUOUZSAKVNJPH-UWVGGRQHSA-N 253.107 -0.136 50 20 CBGD CCO[C@@H]1C[C@@H](NCc2ccc(B(O)O)cc2)[C@@H]1OC 585035821 YZEYYTQLHNYMPQ-MCIONIFRSA-N 279.145 -0.352 50 20 CBGD CCOCc1nc([C@H](C)NCc2ccc(B(O)O)o2)no1 585040543 GDLOOJXLVZMAJQ-QMMMGPOBSA-N 295.104 -0.270 50 20 CBGD O=C(CSc1ccc2c(c1)OCCO2)NCB(O)O 585058856 RTRXKTKYATYEFG-UHFFFAOYSA-N 283.114 -0.322 50 20 CBGD COc1ccc(OC(C)(C)C(=O)NCB(O)O)cc1 585063257 VJBCNQMEUXQZMK-UHFFFAOYSA-N 267.090 -0.019 50 20 CBGD NC(=O)CNC(=S)NNC(=O)c1ccccc1 727065646 OLZALPFHMPVKLN-UHFFFAOYSA-N 252.299 -0.719 50 20 CBGD NC(=O)C(=O)NN=Cc1cnn(-c2ccc(F)cc2)c1 728172304 BHMBLQDEUFOQKI-UHFFFAOYSA-N 275.243 -0.053 50 20 CBGD O=C(O)NCC(=O)NNC(=O)CNc1ccccc1 738651795 ODJJIYHOCGVGKJ-UHFFFAOYSA-N 266.257 -0.487 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@H]1C(=O)O)NC1CCCC1 739454121 QLEGSZDTHHSCGE-JGVFFNPUSA-N 255.274 -0.020 50 20 CBGD O=C(CCn1cccn1)NNC(=O)C(=O)N1CCCC1 748240467 GKABYZRWCRQMPZ-UHFFFAOYSA-N 279.300 -0.957 50 20 CBGD COc1ccccc1C1(C(=O)NNC(=O)CO)CC1 753452933 VJWLVMRQDRUUHT-UHFFFAOYSA-N 264.281 -0.134 50 20 CBGD CCC[C@H](C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758048760 VRHDGGXEZOXERO-JGVFFNPUSA-N 279.362 -0.492 50 20 CBGD COC(=O)c1cc(NC(=O)C(=O)NNC(C)=O)ccc1C 763516499 JUPLCKGVDJMQOS-UHFFFAOYSA-N 293.279 -0.113 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(F)c1F 764299602 GEBKLCNRKUWSBR-UHFFFAOYSA-N 287.222 -0.303 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1c(F)cccc1F 764421148 GGFXHJSMGRTPCZ-UHFFFAOYSA-N 273.195 -0.957 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)c1cc(C)[nH]n1 768277211 BZPWRLAQJHTJSW-SSDOTTSWSA-N 267.289 -0.606 50 20 CBGD O=C(CCn1cc[nH]c(=O)c1=O)NNc1ccccn1 777469383 KPJIASUSCFHLCJ-UHFFFAOYSA-N 275.268 -0.535 50 20 CBGD COc1cc(C(=O)NNC(=O)CO)cc(OC)c1C 777782229 YUHGHPYSDKLGBT-UHFFFAOYSA-N 268.269 -0.234 50 20 CBGD CC(=O)OC(C)(C)C(=O)NNC(=O)Cn1nc(C)cc1C 779725237 RFCXDXXZRWXRPR-UHFFFAOYSA-N 296.327 -0.011 50 20 CBGD CN(NC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1)C(N)=O 782125709 ZQVJNFMWJHIAHQ-UHFFFAOYSA-N 277.240 -0.315 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ccc(C#N)cn2)CC1 788167034 UAYXFRJMWWAGDL-UHFFFAOYSA-N 288.311 -0.445 50 20 CBGD COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NNC(=O)CO)c1 788591883 WWLIGEPIBUZZIC-GXSJLCMTSA-N 294.307 -0.053 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CC[C@H](C(=O)OC)CC1 797839584 LTDUEXIPRNAAQC-ZKCHVHJHSA-N 257.290 -0.074 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCc2cnn(C)c2C1 799100618 LDWOUWWYFNAFRX-SECBINFHSA-N 279.344 -0.766 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1CCc2cnn(C)c2C1 799100622 LDWOUWWYFNAFRX-VIFPVBQESA-N 279.344 -0.766 50 20 CBGD O=C(CN1CCOC[C@@]12CCOC2)NNC(=O)C1CC1 799348160 ZWKAWQPZMYRTCQ-ZDUSSCGKSA-N 283.328 -0.965 50 20 CBGD COC(=O)N(C)NC(=O)c1c(Br)nnn1C 811521138 DMGZOKNTJBRENW-UHFFFAOYSA-N 292.093 -0.079 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccncc1 811861156 VVYCKIXKYBQWJC-UHFFFAOYSA-N 253.258 -0.494 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NCC(Cl)Cl 819795412 WXZOQWZMDOPULW-SCSAIBSYSA-N 263.146 -0.156 50 20 CBGD Cc1cc(CC(=O)NN=C2CCN(CCO)CC2)n[nH]1 819803850 YFSPBPBQNNRUHQ-UHFFFAOYSA-N 279.344 -0.179 50 20 CBGD Cc1nn(C)c(-n2cccn2)c1C(=O)NN(C)C[C@@H](C)O 821217562 LAWBYYDKBVFVQS-SECBINFHSA-N 292.343 -0.128 50 20 CBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)NCC1CC1 823805091 XTCMDXHPYDXBMK-SECBINFHSA-N 254.290 -0.652 50 20 CBGD CCOC(=O)[C@H](CC(=O)NN(C)[C@@H](C)CO)C(C)=O 823921883 DMXLAZWPAXPXRI-WCBMZHEXSA-N 274.317 -0.511 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NC1CCN(C)CC1 825573618 DHYAASOISVUMDJ-MWLCHTKSSA-N 284.360 -0.164 50 20 CBGD Cc1cc(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n[nH]1 826056935 ZQQNIPYOJDSKNY-SCZZXKLOSA-N 281.316 -0.026 50 20 CBGD CCCC[C@H](NC(N)=O)C(=O)NN(C)CCOC 837623209 NKLCKKWWFKFLBP-VIFPVBQESA-N 260.338 -0.177 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)CC[C@H]1N 843353946 RRELPCBQYHQBCQ-WCBMZHEXSA-N 254.334 -0.787 50 20 CBGD CC(C)[C@](C)(CN)NCC(=O)NNC(=O)C1CC1 843356470 RIZDXTHBZIJZJY-LBPRGKRZSA-N 256.350 -0.493 50 20 CBGD O=S(=O)(CBr)N[C@@H](CO)CCF 846018698 WGPWIQBMVDHYGP-RXMQYKEDSA-N 264.116 -0.021 50 20 CBGD C=C[C@H](CO)NCC(=O)NNC(=O)c1ccc(C)cc1 852714400 NHEBRLHIIQAIHB-GFCCVEGCSA-N 277.324 -0.107 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)C2(O)CCCCC2)N1 862456414 PERMNJXMXQDRGE-QMMMGPOBSA-N 269.301 -0.892 50 20 CBGD CC[C@@]1(O)CCCN(CC(=O)NNC(=O)C2CC2)C1 879312185 GDMUMZKWXACGKQ-CYBMUJFWSA-N 269.345 -0.219 50 20 CBGD CC(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 920430010 DBDXLOMSVPOSOE-JTQLQIEISA-N 276.296 -0.403 50 20 CBGD CN1CC[C@H]1CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 925405663 YUDGJTBBLOEQHV-GXSJLCMTSA-N 290.389 -0.929 50 20 CBGD CNC(=O)NNC(=O)c1cnc2cc(C)ccn2c1=O 1115887065 RPNKJURDKNXMNK-UHFFFAOYSA-N 275.268 -0.423 50 20 CBGD CC1(O)CCC(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 1119665609 VNVOAUUTBZRMCE-XQVHRTOBSA-N 298.343 -0.711 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)Cc1ccncc1 1119882310 IHRCHRDUQQWFNA-SNVBAGLBSA-N 276.296 -0.608 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1cnccn1 1261497596 FECQNWCVDZOCIJ-KOLCDFICSA-N 278.312 -0.018 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(O)nc1 1317732108 JKLFTBJVPXFKLM-UHFFFAOYSA-N 266.257 -0.927 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCCCCNC(N)=O)cn1 1318621324 NGOSGWWKRAGOLO-UHFFFAOYSA-N 296.331 -0.590 50 20 CBGD CCC1(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CC1 1318938460 LAEAJBVPGRMRGK-QMMMGPOBSA-N 274.342 -0.241 50 20 CBGD N#CCC(=O)NNC(=O)CNC(=O)c1ccco1 1320682006 JELBCWMQIUXGLA-UHFFFAOYSA-N 250.214 -0.930 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cn(C(C)(C)C)nn1 1321018167 YEPSZZLIMNUJPD-UHFFFAOYSA-N 296.331 -0.681 50 20 CBGD CS(=O)(=O)CCCC(=O)NNc1ncncc1F 1326367037 LTAAADSZPGVKMR-UHFFFAOYSA-N 276.293 -0.116 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)C(=O)Nc2ccsc2)N1 1329123788 SMQNMJKNPZMIGY-ZETCQYMHSA-N 296.308 -0.887 50 20 CBGD C[C@H](C#N)C(=O)NNC(=O)CNC(=O)c1ccco1 1330270468 KMIUWJKMCUUEQH-SSDOTTSWSA-N 264.241 -0.684 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCc2cncn2C)cn1 1344381690 QQNPRVUTMAKEPR-UHFFFAOYSA-N 276.300 -0.453 50 20 CBGD COc1ccc(C(=O)NNC(=O)NCC(F)(F)F)nn1 1344524866 SSUMNUJGKSYJFR-UHFFFAOYSA-N 293.205 -0.009 50 20 CBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)c1ccc[nH]1 1574282337 VSKHTLVKKIOBSA-KBUNVGBDSA-N 251.242 -0.114 50 20 CBGD O=C(NNc1ncccc1[N+](=O)[O-])[C@H]1COCCN1 1574333662 HCRZSRKJUIXBIA-SSDOTTSWSA-N 267.245 -0.579 50 20 CBGD CCn1cc(C(=O)NNC(=O)[C@H]2CCCNC2)nn1 1578344110 HUBARJOEMOIDFU-QMMMGPOBSA-N 266.305 -0.941 50 20 CBGD COCCN(CC(C)C)NC(=O)CN1CCNCC1=O 1579027089 ZYYXJCLQXFSOEA-UHFFFAOYSA-N 286.376 -0.946 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H](C(=O)O)C(C)C 1594018201 MVVUXOVMVKYINN-VIFPVBQESA-N 276.289 -0.846 50 20 CBGD NC(=O)[C@@H](Cc1ccc(Cl)cc1)NNC(=O)C(=O)O 1608226868 FVXZWQXWBATRTK-MRVPVSSYSA-N 285.687 -0.558 50 20 CBGD O=C(NNc1ncncc1F)c1c[nH]c(-c2nn[nH]n2)c1 1609560017 QCDRTIULDGFGNX-UHFFFAOYSA-N 289.234 -0.119 50 20 CBGD O=C(NN=Cc1ccc(C(=O)O)c(O)c1)C(=O)NC1CC1 1776027239 MKKDMBGDRCVTTO-UHFFFAOYSA-N 291.263 -0.181 50 20 CBGD NNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 420170 AUBOCCZGZXCZJN-JTQLQIEISA-N 299.352 -0.253 50 20 CBGD CCNC(=S)NNC(=O)Cc1cc(O)[nH]c(=S)n1 7466324 NYLVJZJSDJIVHM-UHFFFAOYSA-N 287.370 -0.098 50 20 CBGD O=C(Cn1cncn1)NNC(=O)NCc1ccco1 49162571 JRPIXRKIGWSYKR-UHFFFAOYSA-N 264.245 -0.598 50 20 CBGD C[C@H](C(=O)O)N(C)CC(=O)NNC(=O)c1cccs1 54068698 OQCIOWJPQHQZQU-SSDOTTSWSA-N 285.325 -0.086 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2nccnc2N)n1 54671590 MEVMNWYBIRFICG-UHFFFAOYSA-N 289.299 -0.667 50 20 CBGD CSC[C@@H](C)C(=O)NNC(=O)C(=O)NC1CC1 66819588 FEPSNQIAPFYAQE-ZCFIWIBFSA-N 259.331 -0.589 50 20 CBGD CNC(=O)[C@H]1CCCCN1CC(=O)NNC(=O)C1CC1 112976822 JJIIMDFNRXHZLP-SNVBAGLBSA-N 282.344 -0.856 50 20 CBGD Cn1c(=O)c2cc(NC=C(C#N)C#N)cnc2n(C)c1=O 125944863 GMKSOQKXDIPTNW-UHFFFAOYSA-N 282.263 -0.025 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CCCN1C(=O)NC(C)C 268529292 WOALTRZEZVTYCR-QMMMGPOBSA-N 271.321 -0.471 50 20 CBGD O=C1CCC[C@@H](C(=O)NNC(=O)c2ccccc2O)N1 270619925 RJVSJNSIWPDLJM-VIFPVBQESA-N 277.280 -0.178 50 20 CBGD CC[C@H](C(=O)NNC(=O)C(C)(C)O)N1CCCC1=O 276167227 AXAPDPUDNRAAAH-MRVPVSSYSA-N 271.317 -0.694 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1COCCN1CC 378541893 GOLBHBLXCVPMAM-VIFPVBQESA-N 258.322 -0.600 50 20 CBGD COC(=O)NCCC(=O)NNC(=O)NCC(F)(F)F 494606614 GTRJMKKCUQPWSV-UHFFFAOYSA-N 286.210 -0.375 50 20 CBGD CC[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)CCO1 584926859 DWQUYPFYRSDSMY-JTQLQIEISA-N 281.092 -0.244 50 20 CBGD O=C(NC[C@H]1CCCCO1)c1cc(B(O)O)ccc1F 584935267 FBFBYRPOMVMHBX-SNVBAGLBSA-N 281.092 -0.196 50 20 CBGD COCC[C@@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584936099 DSOQDPAAHMHWCI-MRVPVSSYSA-N 269.081 -0.340 50 20 CBGD C[C@@]1(NC(=O)c2cc(B(O)O)ccc2F)CCOC1 584966794 LTKKVQRLZYHHAQ-GFCCVEGCSA-N 267.065 -0.586 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@@H]1CO 584966955 NGDWJJIUIUGPHT-SECBINFHSA-N 267.065 -0.898 50 20 CBGD C[C@H]1[C@H](CO)CCN1C(=O)c1cc(B(O)O)ccc1F 584981050 AMQQPUUGUGBGPQ-IUCAKERBSA-N 281.092 -0.652 50 20 CBGD O=C(NCC1[C@H]2COC[C@H]12)c1cc(B(O)O)ccc1F 584989044 KEXMIFALISGRBQ-GHMZBOCLSA-N 279.076 -0.872 50 20 CBGD CCn1nc(C)c(CNC(=O)c2ccc(B(O)O)cc2)n1 585001701 ZCXRGUOABUOCNV-UHFFFAOYSA-N 288.116 -0.784 50 20 CBGD Cc1nc2n(n1)C[C@H](NCc1ccccc1B(O)O)CC2 585020308 RXEKUFMORWAJFS-GFCCVEGCSA-N 286.144 -0.629 50 20 CBGD CN(C)[C@]1(CNCc2ccc(B(O)O)cc2)CCSC1 585025971 HIECECRINBFNFW-AWEZNQCLSA-N 294.229 -0.107 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H](C)N1C(=O)CCC1=O 727731469 HNTQWZQDOZLCHH-QMMMGPOBSA-N 284.316 -0.346 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc[nH]1 728437569 UKXOHEGKCNWFII-MRVPVSSYSA-N 272.330 -0.207 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1nccnc1N 731852525 WCTPSDUYWFYUPV-UHFFFAOYSA-N 261.245 -0.835 50 20 CBGD Cc1cc(NNC(=O)[C@H](C)S(C)(=O)=O)nc(C)n1 736716515 HXMUMKNSFGAVKZ-ZETCQYMHSA-N 272.330 -0.030 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)CCNC(=O)O)cc1 739102255 UJJAGZRIKXDYAK-UHFFFAOYSA-N 276.252 -0.023 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=O)c1cccc(N(C)C)c1 754958871 SDFMQCXMOUJEPS-CQSZACIVSA-N 295.339 -0.089 50 20 CBGD CC[C@H]1CC[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)O1 756924752 OQPBZMUAYCHPJH-UWVGGRQHSA-N 283.328 -0.286 50 20 CBGD CO[C@@H]1Cc2ccc(NC(=O)NNC(=O)CO)cc2C1 758053505 DXKSMQOCYQZZMQ-LLVKDONJSA-N 279.296 -0.055 50 20 CBGD CN(C)C(=O)Cn1cc(NC(=O)NNC(=O)C2CC2)cn1 764673301 UWZPZANFBFHGJO-UHFFFAOYSA-N 294.315 -0.466 50 20 CBGD Cc1cccc(C(=O)NNC(=O)c2ccc(O)nn2)n1 765741812 BUGRGSFRFJYCDE-UHFFFAOYSA-N 273.252 -0.040 50 20 CBGD CNC(=O)NNC(=O)c1ncn(-c2ccccc2)n1 768481101 JMUQFRBNSQXILS-UHFFFAOYSA-N 260.257 -0.159 50 20 CBGD O=C(CO)NNC(=O)c1ccc(OCC(F)F)nc1 777782909 WHFHDQYBKJVXJA-UHFFFAOYSA-N 275.211 -0.521 50 20 CBGD C[C@@H](O)C(=O)NNc1ccccc1S(C)(=O)=O 787126224 MBFSTLOXYCTELD-SSDOTTSWSA-N 258.299 -0.086 50 20 CBGD CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)C(=O)NC(C)C 794820921 PJDMBDGHEXDKJF-SNVBAGLBSA-N 298.343 -0.941 50 20 CBGD C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)Cc2cc[nH]n2)O1 800485694 NAUZKVRDNNNMOM-XLDPMVHQSA-N 266.301 -0.087 50 20 CBGD C#Cc1cncc(C(=O)NNC(=O)C(=O)N2CCCC2)c1 806718357 YTXOEXNQDSWQGX-UHFFFAOYSA-N 286.291 -0.554 50 20 CBGD Cc1cn2ccnc(C(=O)NN(C)[C@H](C)CO)c2n1 823927734 FFRCQCZMVJTCAA-SECBINFHSA-N 263.301 -0.005 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C[C@H]1CCC(=O)N1C 826753458 GAOURFUDRCVBRS-MRVPVSSYSA-N 279.300 -0.510 50 20 CBGD CC[C@H](CO)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 827280392 BGXBCTWVCVCJSM-IWSPIJDZSA-N 259.306 -0.487 50 20 CBGD CC(C)(O)C(=O)NNC(=O)C[C@@H]1CCCC[C@H]1O 830696947 LEZRXFCLXXQHIY-DTWKUNHWSA-N 258.318 -0.154 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H](C)CC(=O)O 831697023 WGAUFRZPJIBNAZ-SSDOTTSWSA-N 261.278 -0.536 50 20 CBGD Cc1cccc(C(=O)NNC(=O)C[C@@H]2CCC(=O)N2)n1 834816332 SPNXRSQPEGMMDA-VIFPVBQESA-N 276.296 -0.180 50 20 CBGD CC(C)S(=O)(=O)CC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843643472 IEFHWHYAOSOOSW-IUCAKERBSA-N 292.357 -0.618 50 20 CBGD COCCN(C)NC(=O)c1cn(C)nc1COC 848378064 HNIGUCCUAYETET-UHFFFAOYSA-N 256.306 -0.211 50 20 CBGD COc1ccnc(NNC(=O)[C@H](C)[C@H]2CCC(=O)N2)n1 858404538 VJJURMXOFRRLKL-HTQZYQBOSA-N 279.300 -0.157 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2csc3cncn23)N1 862454740 JNKCCGBEQMKLTJ-LURJTMIESA-N 293.308 -0.565 50 20 CBGD CCc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(O)c1 862458281 BSQATGLTEROGAC-SNVBAGLBSA-N 291.307 -0.006 50 20 CBGD COC1CC(C(=O)NNc2nccn(C)c2=O)C1 863894100 JSJJHAJMTDXBBF-UHFFFAOYSA-N 252.274 -0.352 50 20 CBGD C=CCOCC(=O)NNC(=O)Cc1cc(C)[nH]n1 869012258 LBTWTXXLHJODNZ-UHFFFAOYSA-N 252.274 -0.389 50 20 CBGD C[C@H]1C[C@@H](C(=O)NNC(=O)c2cccnn2)CO1 882057551 YGCSAFGOVCWTLA-JGVFFNPUSA-N 250.258 -0.337 50 20 CBGD CCn1cnc2c1CCN(C(=O)c1cccc(B(O)O)c1)C2 886606351 TUXKOTLCOHOWMJ-UHFFFAOYSA-N 299.139 -0.219 50 20 CBGD C[C@]1(C(=O)NOCC(N)=O)C[C@H]1Br 907213612 GVBRBDXBLWFSAI-FBCQKBJTSA-N 251.080 -0.307 50 20 CBGD CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)CN1CCCC1=O 913732573 AYUBWCRHTMDEGU-JOYOIKCWSA-N 285.344 -0.183 50 20 CBGD CN(C(=O)/C(C#N)=C/c1cnn(C)c1)[C@@H]1COC[C@H]1O 923836316 JXRWPQRRTMMSLZ-IPANGIIDSA-N 276.296 -0.455 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCC2CCOCC2)N1 1118859354 ADQKNVFHTRDMOX-JTQLQIEISA-N 298.343 -0.588 50 20 CBGD Cc1ncc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C)n1 1118968782 FVKFAMRGGODFLQ-SECBINFHSA-N 277.284 -0.867 50 20 CBGD O=C(CCl)Nc1cnn(CC(=O)N2CCOCC2)c1 1253969027 YCUNHOGCNUDZDE-UHFFFAOYSA-N 286.719 -0.081 50 20 CBGD Cc1cc(Cl)cnc1NC(=O)C(=O)NNC(=O)CO 1261214987 ODNCHDNABZLORD-UHFFFAOYSA-N 286.675 -0.878 50 20 CBGD C=C[C@H](COC)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1261454086 XWOMTRWSVLWXFQ-BBBLOLIVSA-N 271.317 -0.057 50 20 CBGD COCc1cc(C=NNC(=O)[C@H]2CCC(=O)N2)no1 1261833323 SYLDQRHULCIXLL-SECBINFHSA-N 266.257 -0.450 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)n1ccnc1 1318035499 YPYHEXRFQDOPIG-MRVPVSSYSA-N 267.289 -0.884 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C#N)cc1F 1320241818 ZIJHCYJUWCJDEY-UHFFFAOYSA-N 294.242 -0.570 50 20 CBGD NC(=O)c1cc(C(=O)NNc2ncncc2F)c[nH]1 1324455690 ARXWNIVLCVOSCR-UHFFFAOYSA-N 264.220 -0.200 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCc3cccnc32)N1 1329078968 RUSACDKTFMIGJI-ZJUUUORDSA-N 288.307 -0.463 50 20 CBGD COCCCNC(=S)N(C)NC(=O)c1cnnc(O)c1 1330710813 URFUNQUVUHJJRR-UHFFFAOYSA-N 299.356 -0.330 50 20 CBGD COc1cccc(C[C@@H](O)C(=O)NN(C)[C@@H](C)CO)c1 1330878692 FXAOMASTGKSTFC-GXFFZTMASA-N 282.340 -0.058 50 20 CBGD CC(C)n1nccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1331690100 HEKLYXYWXDCLLG-MRVPVSSYSA-N 279.300 -0.496 50 20 CBGD CC(C)n1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 1348388124 NUNRHLHIJVBLSJ-QMMMGPOBSA-N 279.300 -0.496 50 20 CBGD O=C(COCc1ccccn1)N1CC[C@H](B(O)O)C1 1350601571 OCEUWYXEQYOZKS-JTQLQIEISA-N 264.090 -0.327 50 20 CBGD Cn1ncc(Cl)c1C(=O)NNC(=O)C(=O)NC1CC1 1351127129 AZGQWQFXZIDJNW-UHFFFAOYSA-N 285.691 -0.887 50 20 CBGD O=C(O)c1cccnc1NNC(=O)[C@@H]1CCS(=O)(=O)C1 1574820514 RHJVAYMOBZRKGZ-SSDOTTSWSA-N 299.308 -0.342 50 20 CBGD C=CC[C@@]1(C(=O)NNC(=O)c2ncon2)CCCN1 1574897192 HNPMJWPCOFVOAB-NSHDSACASA-N 265.273 -0.471 50 20 CBGD CN1CCNC[C@H]1C(=O)NNc1nncc(N)c1Cl 1578539113 XXNUEXQZVZUAMO-ZETCQYMHSA-N 285.739 -0.941 50 20 CBGD CNC[C@H](C)CNC(=O)NNC(=O)c1ncccn1 1578625760 ZSCLMVSVIHCLQA-QMMMGPOBSA-N 266.305 -0.724 50 20 CBGD CNC(=S)N(C)NC(=O)CCSCC(=O)O 1598661738 LOKFCXSUXNQBRJ-UHFFFAOYSA-N 265.360 -0.338 50 20 CBGD Cc1oc(C(=O)O)cc1C(=O)NNC(=O)CN(C)C 1600826185 JGFFIJYFSPZCAU-UHFFFAOYSA-N 269.257 -0.391 50 20 CBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)c1cnsn1 1604878474 OHXNPAKUXTYRSL-SCSAIBSYSA-N 258.259 -0.590 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 42871480 WMHHNOCZWVQZKF-ZETCQYMHSA-N 293.345 -0.088 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCO1)c1cnn2cccnc12 42968602 PLADTHUAVLUDGV-VIFPVBQESA-N 275.268 -0.331 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)c2cccn2C)C1 81233712 MKIYSXFPQSGWDP-JTQLQIEISA-N 266.301 -0.883 50 20 CBGD C#CCOCCC(=O)NNC(=O)c1cc(C)n[nH]1 133294630 QMUQYYWIWGRQCY-UHFFFAOYSA-N 250.258 -0.481 50 20 CBGD O=C(NNC(=O)C1=CCCCC1)C(=O)NC1CC1 154445142 GXAIKOIZMFFPFQ-UHFFFAOYSA-N 251.286 -0.087 50 20 CBGD Cn1cc(C(=O)NNC(=O)COC(C)(C)C)cn1 182930490 RTEHGPYOBHUBKC-UHFFFAOYSA-N 254.290 -0.004 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)c2cccn2C)C1 188177251 VCVCFNZMJXMJBT-UHFFFAOYSA-N 264.285 -0.736 50 20 CBGD COCCS(=O)(=O)NNC(=O)NCc1ccco1 265647064 SIXGCEILCYZRMS-UHFFFAOYSA-N 277.302 -0.440 50 20 CBGD COc1nccnc1NNC(=O)C1=NN(C)C(=O)CC1 274068968 JTRJGBWBCLDNLD-UHFFFAOYSA-N 278.272 -0.464 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)CN(C)C 275929922 CFJFNSIYSHISDU-UHFFFAOYSA-N 258.322 -1.000 50 20 CBGD O=C(NNC(=O)[C@@H]1COCCO1)c1ccccc1O 298393012 DKJVUWFOJGRGLI-JTQLQIEISA-N 266.253 -0.431 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=O)c1cccn1C 298595649 ZGQRCLRERUXPNJ-UHFFFAOYSA-N 268.273 -0.516 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1ccc([N+](=O)[O-])[nH]1 299326921 AYJXUTMPNAPNAA-UHFFFAOYSA-N 283.244 -0.391 50 20 CBGD CCN1CCO[C@@H](C(=O)NNC(=O)Cc2ccncc2)C1 364337863 HOICKHUIEZMDSN-GFCCVEGCSA-N 292.339 -0.508 50 20 CBGD O=S(=O)(CBr)NCCN1CCC1 379331039 ZKWKQFGKNMDEGR-UHFFFAOYSA-N 257.153 -0.036 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)c2cccs2)C[C@@H]1O 387899636 JTYZQTJARCRXNQ-IUCAKERBSA-N 283.353 -0.178 50 20 CBGD CN(CC(=O)NNC(=O)CO)C(=O)OCc1ccccc1 496278914 ZIVJAWOBTSHLDC-UHFFFAOYSA-N 295.295 -0.605 50 20 CBGD C[C@](O)(CNC(=O)c1ccc(B(O)O)cc1)C(F)(F)F 584968277 VSPOKRMICPFOIS-JTQLQIEISA-N 291.034 -0.591 50 20 CBGD CCc1nnc(CNC(=O)c2cccc(B(O)O)c2)s1 584991261 XCFRSCLIJFPARU-UHFFFAOYSA-N 291.141 -0.290 50 20 CBGD O=C(c1cccc(B(O)O)c1)N(CC1CC(O)C1)C1CC1 584997361 AWXWUJULFZGGCB-UHFFFAOYSA-N 289.140 -0.258 50 20 CBGD C[C@@H]1[C@@H](O)CCCN1C(=O)c1ccc(B(O)O)c(F)c1 585000038 WJBYKNFWGRKHKZ-PELKAZGASA-N 281.092 -0.509 50 20 CBGD CC(C)COC[C@H](O)CNCc1ccccc1B(O)O 585018677 ONCABRFPXOYBTL-CYBMUJFWSA-N 281.161 -0.511 50 20 CBGD C[C@@H](NCc1ccccc1B(O)O)c1nnc2n1CCC2 585033253 BXIXUYZFOPWFAO-SNVBAGLBSA-N 286.144 -0.245 50 20 CBGD O=C1[C@H](NCc2ccc(B(O)O)cc2F)CCN1C1CC1 585039400 UKJYLXRAXMAKNK-CYBMUJFWSA-N 292.119 -0.642 50 20 CBGD O=S1(=O)CCC[C@H](CNCc2ccccc2B(O)O)C1 585041036 SVYYIEJBADOXQC-LLVKDONJSA-N 297.185 -0.719 50 20 CBGD OC[C@H](NCc1ccccc1B(O)O)[C@@H]1CCCOC1 585046146 NZTUMKUGIXATIW-OCCSQVGLSA-N 279.145 -0.757 50 20 CBGD COc1ccc(Cn2cc(C(=O)NCB(O)O)cn2)cc1 585062193 ROJFYPOQKSBHIV-UHFFFAOYSA-N 289.100 -0.318 50 20 CBGD Cc1cc(C(=O)NCB(O)O)ccc1N1CCOCC1 585063060 RVRBFFQXUZABMH-UHFFFAOYSA-N 278.117 -0.427 50 20 CBGD CCCN(C)CC(=O)NNC(=O)Cn1nc(C)cc1C 730273506 VORVMUMVGULSPL-UHFFFAOYSA-N 281.360 -0.011 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCCCN1C 735516692 WOHDFOYTRGMJGQ-SNVBAGLBSA-N 265.317 -0.037 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](CC(N)=O)C1 746675929 REYRZIFQFZXVJM-ZJUUUORDSA-N 284.360 -0.480 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)CS(C)(=O)=O 746824615 BVBFGLWUXJYELI-QMMMGPOBSA-N 264.347 -0.139 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1ccncc1 748454194 PIPBBVGGCKYOSY-SNVBAGLBSA-N 296.327 -0.037 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CC12CCOCC2 748848736 WFZGFOVYEZAOST-VIFPVBQESA-N 255.318 -0.488 50 20 CBGD CC(CN1C(=O)CCC1=O)=NNC(=O)N1CCOCC1 754940763 ATBDHHDSEIGUCA-UHFFFAOYSA-N 282.300 -0.447 50 20 CBGD Cn1[nH]cnc1=NC(=O)NNC(=O)C1CCCC1 757759968 DDNFHOXONQVKBJ-UHFFFAOYSA-N 252.278 -0.420 50 20 CBGD O=C(NNC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccnc1 763263681 LANMXYNCBWHXFI-UHFFFAOYSA-N 276.212 -0.212 50 20 CBGD CCOC(=O)NNC(=O)Nc1cnn(CC(=O)N(C)C)c1 770048779 MDGKIYOLSZDKDX-UHFFFAOYSA-N 298.303 -0.246 50 20 CBGD CCc1nn(C)cc1C(=O)NNC(=O)c1cnn(C)c1 770754971 HOYZHBYHMYREGW-UHFFFAOYSA-N 276.300 -0.209 50 20 CBGD O=C(CO)NNC(=O)c1ccc([N+](=O)[O-])cc1O 776188839 OTHMFKYOSRZNBS-UHFFFAOYSA-N 255.186 -0.946 50 20 CBGD COc1cc(C=NNC(=O)CO)ccc1OCCC(=O)O 783858808 GCUITWHGTSCSAQ-UHFFFAOYSA-N 296.279 -0.009 50 20 CBGD Cc1cc(C)nc(NNC(=O)NCc2nnn(C)n2)n1 787436808 ICMANKCQIMKRHR-UHFFFAOYSA-N 277.292 -0.557 50 20 CBGD COCCO[C@@H](C)C(=O)NN=Cc1cn(C)cn1 794519475 LTVLMSXLWIAQPE-VIFPVBQESA-N 254.290 -0.078 50 20 CBGD COc1ccc(C=NNC(=O)C(N)=O)c(C)c1OC 807944958 WZOZEKYVTOBKFS-UHFFFAOYSA-N 265.269 -0.052 50 20 CBGD CC(C)n1cc(C=NNC(=O)CN2CCCC2=O)nn1 807956284 OWLIELDPHHGGIL-UHFFFAOYSA-N 278.316 -0.069 50 20 CBGD Nc1ncc2c(n1)CCCC2=NNC(=O)C(=O)NC1CC1 814777893 IMCCTBDYJCENCA-UHFFFAOYSA-N 288.311 -0.506 50 20 CBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1ccccc1 816816826 JKTPXGHPOKFYIF-VIFPVBQESA-N 299.352 -0.225 50 20 CBGD COCC1(C(=O)NN(C)[C@H](C)CO)CCOCC1 823922957 NVNLUSHLXPTTLQ-SNVBAGLBSA-N 260.334 -0.227 50 20 CBGD CCNC(=O)[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 825594197 GOABNXQMVWJWDG-XHNCKOQMSA-N 286.332 -0.734 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CO[C@H](C)C1 827258677 CLMZNRUQAPWVAS-KATARQTJSA-N 271.317 -0.081 50 20 CBGD CN(CC1CC1)S(=O)(=O)NNC(=O)[C@@H]1CCCCO1 830034199 NDGRUSMPWVZNAV-JTQLQIEISA-N 291.373 -0.237 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CC12CCNCC2 831180953 SUFONBUCYYXJBY-SECBINFHSA-N 270.333 -0.505 50 20 CBGD CNC(=O)NNS(=O)(=O)C[C@H](OC)C(C)C 842581475 KUGZDNZWCUJDTP-ZETCQYMHSA-N 253.324 -0.579 50 20 CBGD COC(=O)C[C@@H](C)CC(=O)NNC(=O)c1ccnnc1 848231349 ZDKWZJPNXWNBGB-QMMMGPOBSA-N 280.284 -0.173 50 20 CBGD C=C[C@@H](O)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 854576161 ZCSFZGZHGKJRME-LLVKDONJSA-N 299.352 -0.073 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H]2CCC[C@]2(N)C1 857086900 ZIFNMPXZECKNHN-KWBADKCTSA-N 268.361 -0.255 50 20 CBGD COCC1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCC1 858425739 JTBJKGUQRNCNQK-SECBINFHSA-N 298.343 -0.588 50 20 CBGD CCCCC[C@@H](O)C(=O)NNC(=O)CS(C)(=O)=O 863465631 HBPZWUNFIDTSHW-MRVPVSSYSA-N 280.346 -0.880 50 20 CBGD COC(=O)[C@@](C)(CO)NS(=O)(=O)CCCCCl 867380263 FXGFGUXDNYOWIM-SECBINFHSA-N 287.765 -0.151 50 20 CBGD COCCOCC(=O)NNC(=O)c1cnn(C(C)C)c1 869906530 NJYTXZSFIVOYFA-UHFFFAOYSA-N 284.316 -0.112 50 20 CBGD C[C@@]1(C(=O)NCCNS(C)(=O)=O)C[C@H]1Br 905841080 XDKZKOSRLBQVLP-HTRCEHHLSA-N 299.190 -0.175 50 20 CBGD C[C@H](O)CN(C)NC(=O)CC[C@@]1(C)CCC(=O)N1 910155592 NKVMZSOMSTXYQG-JOYOIKCWSA-N 257.334 -0.221 50 20 CBGD C/C(=C\C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1 917624975 JGVKEFQHYBPUEW-QEHWCHDUSA-N 286.353 -0.075 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)OCC1CC1 920818713 PRYIKTFNMFTIRO-QMMMGPOBSA-N 271.317 -0.527 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H]1CSCC(=O)N1 930717704 JJRRVXQJVFLEOV-ZETCQYMHSA-N 274.346 -0.652 50 20 CBGD CCOCC(=O)NNC(=O)NCc1c(O)nnc(C)c1C 1116087270 CXCQWYBCCHRLKC-UHFFFAOYSA-N 297.315 -0.334 50 20 CBGD COCCn1cc(C(=O)NNc2ncncc2F)nn1 1118778340 OWUYBWPQZXTXFV-UHFFFAOYSA-N 281.251 -0.390 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)C2CCOCC2)C1 1119344155 FPCOGEPSAPSOLO-UHFFFAOYSA-N 269.301 -0.961 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H](C)Cn1cccn1 1252438430 OREIDKQJQCXMBY-QMMMGPOBSA-N 283.288 -0.977 50 20 CBGD CN(Cc1cscn1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1261791171 IFZUZDRQQYOADA-QMMMGPOBSA-N 297.340 -0.406 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)C(C)(C)C 1262596880 WPCPMRIBUNCNQT-SECBINFHSA-N 257.334 -0.099 50 20 CBGD NC(=O)c1cccc(C(=O)NNc2nc3ccccn3n2)n1 1320827092 KVOHUWXDCHZTRW-UHFFFAOYSA-N 297.278 -0.020 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1CCc2nncn2C1 1326187721 OVKNYRMYGKSOBT-MRVPVSSYSA-N 282.373 -0.256 50 20 CBGD CCn1nncc1C(=O)NNc1ncc(F)cn1 1326316487 YUHMTBBNFNJNAN-UHFFFAOYSA-N 251.225 -0.016 50 20 CBGD COC1(C=NNC(=O)[C@@H]2CCC(=O)N2)CCOCC1 1329109393 BVILWOXTERKWES-VIFPVBQESA-N 269.301 -0.437 50 20 CBGD CN(C[C@H]1CCCOC1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329192196 RKZOXJNKLZZTBS-ZJUUUORDSA-N 298.343 -0.636 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccc([C@H](C)O)cc1 1330489890 RWRZOJSPYWQSGD-QMMMGPOBSA-N 295.295 -0.257 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)n1cc(CCN(C)C)nn1 1331227984 OCHSTZDKWHLKFC-VIFPVBQESA-N 282.348 -0.499 50 20 CBGD CCc1ocnc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1335330944 ZQROLZQWZZWHSX-ZCFIWIBFSA-N 266.257 -0.723 50 20 CBGD O=C(NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)c1ccc[nH]1 1335538663 AVDMTELSDFQGCA-ATZCPNFKSA-N 279.296 -0.173 50 20 CBGD COC(=O)[C@H]1C[C@@H](C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1 1358353045 GTOUPAAWEPZZHM-DOLQZWNJSA-N 284.312 -0.242 50 20 CBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)c1cccn1C 1520747559 QBUTVUOQIVPJFB-PWSUYJOCSA-N 291.355 -0.826 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)CCCCCN)CC1 1578546406 QJVIEHNTHUFMKR-UHFFFAOYSA-N 270.333 -0.821 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@@H]1NCc2n[nH]cc21 1580573791 NTUWVMAFVQAPLL-GFCCVEGCSA-N 286.295 -0.661 50 20 CBGD CC[C@@H](C(=O)O)N(C)C(=O)c1cccc(B(O)O)c1 1589438225 WIRDONIWDHKVTR-JTQLQIEISA-N 265.074 -0.698 50 20 CBGD Cn1nc(C(=O)O)cc1C(=O)NNc1ncccn1 1594568087 HNZARTBFPYCPGL-UHFFFAOYSA-N 262.229 -0.335 50 20 CBGD O=C(NNC(=O)c1cc(C(=O)O)no1)c1ccncc1 1601554789 HILOTVCYJHLOKZ-UHFFFAOYSA-N 276.208 -0.157 50 20 CBGD COc1ccnc(NNC(=O)NC[C@@H](C)C(=O)O)n1 1604899039 TVYXYGUZDTWYEO-ZCFIWIBFSA-N 269.261 -0.168 50 20 CBGD O=C(NNC(=O)[C@H]1COCCO1)c1ccc(Cl)nc1 48791856 FDINCUWSKJLOJK-MRVPVSSYSA-N 285.687 -0.089 50 20 CBGD CNC(=O)NNC(=O)Cn1cccc(C(F)(F)F)c1=O 48949954 RXEDKNFROOJVMQ-UHFFFAOYSA-N 292.217 -0.173 50 20 CBGD CC(=O)NNC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 120012579 KEJJYSAGWXSAID-DTORHVGOSA-N 267.285 -0.671 50 20 CBGD Cc1ccc(F)c(NC(=O)C(=O)NNC(=O)CN(C)C)c1 126412581 VXPWJQAFUZAMNA-UHFFFAOYSA-N 296.302 -0.218 50 20 CBGD O=C(CO)NNC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 182756136 VJUUJLUKCLRIIN-UHFFFAOYSA-N 287.275 -0.001 50 20 CBGD COc1cc(C)nc(NNC(=O)CCNC(N)=O)n1 266952547 USPVHFFZYWJKQD-UHFFFAOYSA-N 268.277 -0.705 50 20 CBGD COc1cccc(NNC(=O)[C@H]2CC[C@H](C(N)=O)O2)n1 281350595 WTLQKVFUDMRNEC-HTQZYQBOSA-N 280.284 -0.434 50 20 CBGD CC(C)CC(=O)NNC(=O)c1ccc(C(N)=O)cn1 299598385 GYHNDWVIUFSKGA-UHFFFAOYSA-N 264.285 -0.012 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cc(C)c2nccn2c1 495670632 ONMAIEXLLVZIPX-UHFFFAOYSA-N 291.267 -0.032 50 20 CBGD CO[C@H](C(=O)Nc1cccc(B(O)O)c1)[C@@H]1CCOC1 584913047 ZAUQVYQPUWCMMO-SKDRFNHKSA-N 279.101 -0.644 50 20 CBGD CC(C)N1CC(NC(=O)c2ccc(B(O)O)cc2)C1 584976067 IYLKGFPGQRUNJN-UHFFFAOYSA-N 262.118 -0.811 50 20 CBGD CC1(C)CN(C(=O)c2cc(B(O)O)ccc2F)CC[C@@H]1O 584979346 RKZNRQMKEJQCPE-LBPRGKRZSA-N 295.119 -0.262 50 20 CBGD C[C@@H]1CCC[C@@]1(O)CNC(=O)c1cccc(B(O)O)c1 584994658 MOJMTHGUZPMOIP-QMTHXVAHSA-N 277.129 -0.353 50 20 CBGD C[C@@H](Cc1cnn(C)c1)NC(=O)c1ccc(B(O)O)cc1 584996964 SEFNEFCJQFILBT-JTQLQIEISA-N 287.128 -0.539 50 20 CBGD C[C@@H](C#N)N(C(=O)c1cccc(B(O)O)c1)C1CC1 585007656 YNYXKFCWQKBULB-VIFPVBQESA-N 258.086 -0.117 50 20 CBGD OB(O)c1ccc(CNCCCN2CCOCC2)cc1 585014752 ZPWGMAWQGWJWDE-UHFFFAOYSA-N 278.161 -0.822 50 20 CBGD CC(C)C(=O)NCCNCc1ccc(B(O)O)cc1F 585033190 ZRGQRMIKMIDDBW-UHFFFAOYSA-N 282.124 -0.633 50 20 CBGD CN1C[C@H](CNCc2ccc(B(O)O)cc2F)CC1=O 585047986 YYCNOWPISZLYKT-VIFPVBQESA-N 280.108 -0.927 50 20 CBGD NC(=O)c1ccc(N2CC[C@@H](B(O)O)C2)c([N+](=O)[O-])c1 585073043 HRRXHLGFMFPFEG-MRVPVSSYSA-N 279.061 -0.253 50 20 CBGD NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)CCCCl)C1 707498157 RZRCXTVGYMSJCZ-SSDOTTSWSA-N 290.794 -0.692 50 20 CBGD CCS(=O)(=O)CCNC(=O)NNC(=O)CC(C)C 727943206 FWNXXNSOPVAWTG-UHFFFAOYSA-N 279.362 -0.202 50 20 CBGD CN1CCCC[C@@H]1C(=O)NNC(=O)c1cnn(C)c1 735522579 UBSHOLCHOYQYHS-SNVBAGLBSA-N 265.317 -0.335 50 20 CBGD O=C(CO)NNC(=O)c1ccc(-n2ccnc2S)cc1 753451141 ALYFKMKIIRVDQJ-UHFFFAOYSA-N 292.320 -0.086 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNc1cc(Cl)nc(N)n1 753453997 BAARLDJDQLDYDO-YFKPBYRVSA-N 284.707 -0.224 50 20 CBGD CCC(=O)NNC(=O)Nc1ccn(CC(=O)OC)n1 756645936 MFQCLGULVHUJRX-UHFFFAOYSA-N 269.261 -0.381 50 20 CBGD CN(C)c1cccc(C(=O)NNC(=O)c2cnn(C)n2)c1 785706342 SVARSUZIOAXIAQ-UHFFFAOYSA-N 288.311 -0.044 50 20 CBGD COc1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)nn1 802026409 QWGBLLSAGLOUFZ-UHFFFAOYSA-N 288.267 -0.231 50 20 CBGD COCC(=O)NN=C(C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 811644627 CWBYHCMPNFQSFR-UHFFFAOYSA-N 290.279 -0.297 50 20 CBGD O=C(CN1CCCC1)NNC(=O)[C@H]1CCCCO1 823236713 DJNXDVPFRIYYMQ-SNVBAGLBSA-N 255.318 -0.201 50 20 CBGD CCN(CCO)NC(=O)[C@](C)(O)Cn1c(C)cccc1=O 823878934 AMCYPPKVQNJSBD-CQSZACIVSA-N 297.355 -0.747 50 20 CBGD CCOC(=O)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 825523833 VUBXTZPSXZXOFI-UHFFFAOYSA-N 265.233 -0.414 50 20 CBGD Cc1cc(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)n(C)n1 826738857 CIZBNGGQILFTRT-ONGXEEELSA-N 295.343 -0.016 50 20 CBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)O)c[nH]1 831348318 AFBRUXMVIBXLDK-UHFFFAOYSA-N 263.231 -0.738 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](C)N1C(=O)CCC1=O 843641056 BBSZXFRXGNBUPO-CIUDSAMLSA-N 297.311 -0.904 50 20 CBGD Cc1nccn1CC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843971201 PNARROLIYQVXMC-WPRPVWTQSA-N 266.301 -0.236 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CCC1 843973802 LSOHIANLCHVLFL-RKDXNWHRSA-N 283.328 -0.525 50 20 CBGD CCCN1CCC[C@H]1C(=O)NNC(=O)N1CCN(C)CC1 854379318 WXKFNVJMNQYXOD-LBPRGKRZSA-N 297.403 -0.151 50 20 CBGD CCOCCO[C@H](C)C(=O)NN(C)C(=S)NC 854925529 HQOXWFUHEXZVTD-MRVPVSSYSA-N 263.363 -0.105 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@@H](O)c1cnn(C)c1)C1CC1 855097044 IGILNTUSRWTJQL-XCBNKYQSSA-N 297.384 -0.253 50 20 CBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)c2cc[nH]n2)CCO1 855356049 FOUQPYDNCFSVRR-SFYZADRCSA-N 252.274 -0.014 50 20 CBGD CO[C@@]1(C)C[C@H]1NC(=O)NNC(=O)c1cn[nH]c1 858623411 UILNXMRKZABFAA-XCBNKYQSSA-N 253.262 -0.469 50 20 CBGD C[C@@H]1COCCCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 858697502 UBOMRZYDAXLANK-RKDXNWHRSA-N 284.316 -0.883 50 20 CBGD CN1C(=O)[C@@H]2CN(S(=O)(=O)CCl)C[C@@H]2C1=O 867764048 CHIYZDXLQJCAHI-OLQVQODUSA-N 266.706 -0.941 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCC[C@H](CF)C2)N1 883737907 MWKPAHNTYOKEOE-BDAKNGLRSA-N 286.307 -0.313 50 20 CBGD CN1CCO[C@H](C(=O)NNc2ncncc2Cl)C1=O 907606080 XSDIETVXNRIMRI-SSDOTTSWSA-N 285.691 -0.570 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1c2c(nn1C)CCC2 911445639 ZTBMHMXPOQGDDM-QMMMGPOBSA-N 252.318 -0.134 50 20 CBGD C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 912977558 JIEYQCOLMMSNIO-NGZCFLSTSA-N 281.312 -0.606 50 20 CBGD COc1ccc(S(=O)(=O)NNC(C)=O)cc1[N+](=O)[O-] 916108229 WBTNUCKGCKWXMY-UHFFFAOYSA-N 289.269 -0.067 50 20 CBGD COCCCNC(=O)NNC(=O)/C=C\c1cn(C)cn1 930732851 BJQAFDMTDWGRCD-PLNGDYQASA-N 281.316 -0.200 50 20 CBGD O=C(CC[C@H]1CCOC1)NNC(=O)[C@H]1CCC(=O)N1 1118884239 CSMOJXXQBWIPII-DTWKUNHWSA-N 269.301 -0.771 50 20 CBGD COc1c(C(=O)NNC(=O)c2cnn(C)c2)c(C)nn1C 1251915276 SUKZZFAQXYTJGC-UHFFFAOYSA-N 292.299 -0.455 50 20 CBGD Cc1ccn2c(=O)c(C(=O)NNC(=O)N(C)C)cnc2c1 1318043372 URDPNYUEDQFSLT-UHFFFAOYSA-N 289.295 -0.081 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)C[C@H]1CCOC1 1320847295 IXVANODOGYVEKM-QMMMGPOBSA-N 265.335 -0.481 50 20 CBGD COCC(=O)NCCC(=O)NNC(=O)c1cccc(C)n1 1321092365 BXEIRBOSZKTFDV-UHFFFAOYSA-N 294.311 -0.696 50 20 CBGD C[C@H](CO[C@H]1CCOC1)NC(=O)NNC(=O)c1cn[nH]c1 1328788855 ICHTUSGCDXIJCG-SCZZXKLOSA-N 297.315 -0.452 50 20 CBGD Cc1cnc2nc(C(=O)NNC(=S)NC(C)C)nn2c1 1330705281 SHIOOMQKOYLXKI-UHFFFAOYSA-N 293.356 -0.050 50 20 CBGD O=C(CCCCO)NNC(=O)Cc1cccnc1 1331871808 HYUYJQYQGTWYGL-UHFFFAOYSA-N 251.286 -0.066 50 20 CBGD C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)C1CCNCC1 1338695924 IRWBBHJCJJVSNA-SCZZXKLOSA-N 270.333 -0.649 50 20 CBGD O=C(CN1C(=O)CCC1=O)NNc1nc2ccccn2n1 1347313885 UQMIEVAKDVBGTL-UHFFFAOYSA-N 288.267 -0.679 50 20 CBGD C[C@H](CN)NC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br 1347977434 GAKCSTACIGQABP-FWWHASMVSA-N 292.177 -0.261 50 20 CBGD O=C(NC[C@@H]1C[C@@H]2CC[C@H](C1)N2)NNC(=O)c1cn[nH]c1 1580703076 HFGZIDKCHRENPH-GUDFOSOFSA-N 292.343 -0.116 50 20 CBGD C[C@@H](CC(=O)O)NC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1589001573 MPRQPXSUQLQGSC-JQCXWYLXSA-N 285.300 -0.253 50 20 CBGD CC(C)CN(CCC(=O)O)C(=O)c1cccc(B(O)O)c1 1591332340 SWFDKYXJHHIDTA-UHFFFAOYSA-N 293.128 -0.061 50 20 CBGD CO[C@@](C)(C(=O)O)C(=O)NN=c1cc[nH]cc1C 1593926573 KCMSUNMUWPLXOD-LLVKDONJSA-N 253.258 -0.255 50 20 CBGD COC(=O)N(C)NS(=O)(=O)c1cc(C(=O)O)no1 1598875833 NQKUWQQYLPXCMT-UHFFFAOYSA-N 279.230 -0.736 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCCC12CCOCC2 1601552925 NSBUYNYPACXPFN-QMMMGPOBSA-N 285.300 -0.249 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@]1(C(=O)O)CCCO1 1603479599 GDWJNRZIFWNZNB-SXMVTHIZSA-N 286.284 -0.807 50 20 CBGD O=C(O)c1ccc(CC(=O)N2CC[C@H](B(O)O)C2)cn1 1608879334 DJFUFAVAZSUEFO-VIFPVBQESA-N 278.073 -0.602 50 20 CBGD COCCNC(=O)NNC(=O)Cn1nc(C)cc1C 42843134 RWUNMTGKGMBMHZ-UHFFFAOYSA-N 269.305 -0.523 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)c2c[nH]nn2)c1 103437014 HXVAKYFZAVGXNQ-UHFFFAOYSA-N 256.225 -0.249 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc2[nH]c(=O)n(C)c2c1 119336195 BNTMUJNQPLDDLV-UHFFFAOYSA-N 277.284 -0.217 50 20 CBGD COCCn1cc(C(=O)NNC(=O)NC2CC2)ccc1=O 143224746 YTPICSVJNVYPCY-UHFFFAOYSA-N 294.311 -0.399 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cccc2cn[nH]c12 170796815 KSRIDGRYKAKOEV-UHFFFAOYSA-N 261.285 -0.115 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1COc2ccccc21 175943857 JMLVACCADUYBOE-JTQLQIEISA-N 263.297 -0.128 50 20 CBGD CCN1CCO[C@@H](C(=O)NNc2nc3ccccn3n2)C1 191886129 UACHHUUHEFZLMK-SNVBAGLBSA-N 290.327 -0.107 50 20 CBGD COC(=O)NCCCC(=O)NNC(=O)N1CCOCC1 264483734 IGGXQUHRAIVDPH-UHFFFAOYSA-N 288.304 -0.804 50 20 CBGD C=CCCCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 273529786 UZOWZIIYMHPYHE-MRVPVSSYSA-N 277.346 -0.572 50 20 CBGD CN(NC(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1)C(N)=O 280893561 DFBKKYXLRIIWKP-SSDOTTSWSA-N 286.288 -0.485 50 20 CBGD COC(=O)NNC(=O)CN1C(=O)COc2ccccc21 298312951 SPECSNPDAOUDKO-UHFFFAOYSA-N 279.252 -0.201 50 20 CBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=O)c1ccccn1 496187905 HTPLINKCPAZPNK-POYBYMJQSA-N 264.241 -0.661 50 20 CBGD CC(C)(C)[C@@H](CO)NC(=O)c1cccc(B(O)O)c1 584972741 GEAFGMIJBPVJAK-LLVKDONJSA-N 265.118 -0.497 50 20 CBGD CC(C)[C@@H](NC(=O)c1cccc(B(O)O)c1)c1ncon1 584982647 MGALMNLMFBEIAN-LLVKDONJSA-N 289.100 -0.124 50 20 CBGD O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(B(O)O)cc1 585003064 KPRZZUCSTBLDPJ-UTUOFQBUSA-N 261.086 -0.584 50 20 CBGD C[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)C1(CO)CC1 585005707 DLEURGXUKVFJEY-MRVPVSSYSA-N 281.092 -0.604 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCO[C@@H]2CCC[C@@H]21 585009917 HJTLAYSCVNOICO-QWHCGFSZSA-N 293.103 -0.101 50 20 CBGD OB(O)c1ccc(CNC[C@@H]2CN3CCC[C@H]3CO2)cc1 585022075 IGSWSUSWQPHGCV-LSDHHAIUSA-N 290.172 -0.681 50 20 CBGD C[C@](O)(CNCc1ccc(B(O)O)o1)C(F)(F)F 585031349 DBJORHLZMUMIIZ-QMMMGPOBSA-N 267.012 -0.638 50 20 CBGD OB(O)c1cccc(CNCCN2CCSCC2)c1 585032949 RTWQEFOFYJZKLN-UHFFFAOYSA-N 280.202 -0.495 50 20 CBGD CCc1nc([C@@H](C)NCc2ccc(B(O)O)cc2)n[nH]1 585033393 CDFNQCFOTLCZAV-SECBINFHSA-N 274.133 -0.102 50 20 CBGD C[C@@H]1C[C@@H](CNCc2ccc(B(O)O)o2)CCO1 585034821 OFBGGEBOFMZWGY-ZJUUUORDSA-N 253.107 -0.136 50 20 CBGD O=S(=O)(c1ccc(Cl)nc1)N1CC[C@H](B(O)O)C1 585058317 XQPVWUOCBKPQHS-ZETCQYMHSA-N 290.537 -0.028 50 20 CBGD NC(=O)c1ccc(/C=C/C(=O)N2CC[C@@H](B(O)O)C2)cc1 585069770 SARGOBHILHHJLA-MJRJWQSSSA-N 288.112 -0.126 50 20 CBGD CC[C@H](C)C(=O)NNC(=S)NCCS(C)(=O)=O 729154386 VQIIHINKLGLWLD-ZETCQYMHSA-N 281.403 -0.428 50 20 CBGD CC(CS(=O)(=O)c1ccccc1)=NNC(=O)C(N)=O 735408573 JCTDUSSZWXBTJL-UHFFFAOYSA-N 283.309 -0.562 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1cn[nH]c1 754659958 OOLBFBUHWZCGIO-MRVPVSSYSA-N 253.306 -0.213 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cnc2[nH]cnc2c1 755276969 ODJUTCYAPOFCCZ-UHFFFAOYSA-N 285.267 -0.315 50 20 CBGD C[C@@]1(CNC(=O)NNC(=O)C(=O)N2CCCC2)CCCO1 756084654 OGTJMAGLYPKMHY-ZDUSSCGKSA-N 298.343 -0.492 50 20 CBGD NC(=O)C(=O)NN=Cc1ccc(O)c(C(=O)O)c1 777420948 IEOOFMLJHANCMH-UHFFFAOYSA-N 251.198 -0.974 50 20 CBGD CN(NC(=O)c1c2c(nn1C)CCCC2)C(N)=O 778417800 YCGODZOELZBGRK-UHFFFAOYSA-N 251.290 -0.046 50 20 CBGD COC(=O)c1ccccc1NNC(=O)C1=NNC(=O)C1 780732925 QKWWPKGZGXDGRW-UHFFFAOYSA-N 276.252 -0.208 50 20 CBGD CN(C)CC(=O)NNC(=O)c1c[nH]nc1-c1cnn(C)c1 781921971 ZCEFAYCSIZJSAT-UHFFFAOYSA-N 291.315 -0.867 50 20 CBGD COC1(C(=O)NNC(=O)c2cc(C)[nH]n2)CCOCC1 786481423 CTIDPRRMCGLQIY-UHFFFAOYSA-N 282.300 -0.325 50 20 CBGD Cc1cc(CC(=O)NNC(=O)N=c2cc[nH]cc2)n[nH]1 802028963 GSUHVDKMDUSCRB-UHFFFAOYSA-N 274.284 -0.070 50 20 CBGD Cn1cnc(C(=O)NNC(=O)CC(F)(F)F)cc1=O 823828568 CFONXJOFDRIFDF-UHFFFAOYSA-N 278.190 -0.506 50 20 CBGD CCN(CCO)NC(=O)[C@](C)(O)Cn1ccc(C)cc1=O 823879494 NKXKRLWPQXWRCQ-CQSZACIVSA-N 297.355 -0.747 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](CNC)C1 843349004 CJRDPPGUFVEAON-NXEZZACHSA-N 256.350 -0.526 50 20 CBGD COC(=O)C[C@H](C)CC(=O)NNC(=O)C(=O)NC(C)C 847298907 RVAFFAPZSQYVLA-MRVPVSSYSA-N 287.316 -0.752 50 20 CBGD C[C@@H](OC[C@H]1CCCO1)C(=O)NNC(=O)c1cc[nH]n1 855359169 HTTUKJAOUDFGHT-RKDXNWHRSA-N 282.300 -0.245 50 20 CBGD CCCNC(=O)NNC(=O)Cn1cc(C(=O)OC)cn1 858809318 UALRPWPBKDBGCV-UHFFFAOYSA-N 283.288 -0.590 50 20 CBGD O=C(CCn1cccc1)NNC(=O)[C@@H]1CCC(=O)N1 862456746 SFDQVBAYKKBPTH-VIFPVBQESA-N 264.285 -0.696 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H](O)C1CCCCC1 863464524 IDBQIXKRCYPSLL-JTQLQIEISA-N 292.357 -0.880 50 20 CBGD CCn1ncc(C(=O)NNC(=O)C(=O)N2CCCC2)c1C 865070145 DZMVJPYBBKOKDN-UHFFFAOYSA-N 293.327 -0.405 50 20 CBGD CCN(CC)C(=O)CNC(=O)NN(C)C(=O)OC 875154384 XTECRHSWIDSYEG-UHFFFAOYSA-N 260.294 -0.233 50 20 CBGD C#CCCCC(=O)NNC(=S)NCC(=O)N(C)C 899620773 SHHBQRRWJWJEIB-UHFFFAOYSA-N 270.358 -0.627 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CCCNC(=O)c1cccnc1 910161298 VOPPUXWXWXVPFI-LLVKDONJSA-N 294.355 -0.065 50 20 CBGD C#CCN1CCC[C@H](NC(=O)c2ccc(B(O)O)cc2)C1 923593809 CUXBBWTWBLTASP-AWEZNQCLSA-N 286.140 -0.806 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ncn(C)n1 1118125643 XBQQNAGOEPKFEC-JGVFFNPUSA-N 282.304 -0.930 50 20 CBGD C[C@@]1(NNC(=O)N[C@@H]2CCOC2)CCS(=O)(=O)C1 1319658527 VOYLCVHTSOQXDK-PSASIEDQSA-N 277.346 -0.844 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@@H](C)c1nc(C)no1 1320099573 HGISUBXKYLBREM-RQJHMYQMSA-N 269.305 -0.025 50 20 CBGD NC(=O)c1cc(CNS(=O)(=O)CBr)on1 1320267337 YLDVWXRAMKTHAZ-UHFFFAOYSA-N 298.118 -0.455 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CO[C@H]1CCOC1 1320374543 NQAXSEOCRHWVOT-BDAKNGLRSA-N 288.300 -0.719 50 20 CBGD Cn1c(=O)oc2c(NC(=O)NNC(=O)CCO)cccc21 1320401041 SOIVEASEKUIVOL-UHFFFAOYSA-N 294.267 -0.333 50 20 CBGD COc1ccc(NNC(=O)C(=O)Nc2ccn(C)n2)nc1 1321590795 FOLOVQOVLBXYTL-UHFFFAOYSA-N 290.283 -0.095 50 20 CBGD NC(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccc[nH]2)C1 1321783018 AZFIGWNQQXGHII-QMMMGPOBSA-N 279.300 -0.434 50 20 CBGD CC[C@H](OC)C(=O)NNc1nc(O)c2cnn(C)c2n1 1322739919 YFTXSFPTWOSPED-ZETCQYMHSA-N 280.288 -0.063 50 20 CBGD CC(=O)N[C@@H](CC(=O)NNc1ccc(C#N)cc1)C(N)=O 1322847094 UXNCVFMJZJLYSY-NSHDSACASA-N 289.295 -0.619 50 20 CBGD C[C@@H]1COCC[C@H]1CNC(=O)NNC(=O)C(=O)NC1CC1 1323840694 PFPNYEPWAKXEFF-BDAKNGLRSA-N 298.343 -0.732 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 1330107602 GNVGNRDVWOTEBA-HLTSFMKQSA-N 269.301 -0.773 50 20 CBGD CO[C@@H](C=NNC(=O)CS(C)(=O)=O)[C@H]1CCOC1 1331723529 UUQNRUWAQGRPKE-IUCAKERBSA-N 278.330 -0.816 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1ncccn1 1331895833 ZTRIPGYXNQZNJY-UHFFFAOYSA-N 251.246 -0.837 50 20 CBGD C[C@]1(CNC(=O)C[C@@H](O)CN)C[C@H]1Br 1342286548 WDXRNXRJNZPLBR-ZXFLCMHBSA-N 265.151 -0.014 50 20 CBGD Cn1nncc1NNC(=O)[C@@H]1CCc2c[nH]nc2C1 1347708589 CNZWRXFNNKPFMR-SSDOTTSWSA-N 261.289 -0.214 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)NCCOCCCN)cn1 1579958522 FDCONOASGBXBCM-GHXNOFRVSA-N 277.328 -0.191 50 20 CBGD CCC(CC)(NC(=O)c1cccc(B(O)O)c1)C(=O)O 1595097581 ACIAWSUEWUFVGF-UHFFFAOYSA-N 279.101 -0.260 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1C[C@H](C(=O)O)C1 1604833245 BIFLQNSRMMEGQL-FNCVBFRFSA-N 285.300 -0.395 50 20 CBGD Cn1ncc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1N 1606275751 XSONEXVMFPHCPO-UHFFFAOYSA-N 299.298 -0.061 50 20 CBGD Cn1nnc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)n1 1606284340 JOBVVCHZVUAYAO-UHFFFAOYSA-N 286.259 -0.853 50 20 CBGD C[C@H](NC(=O)NNC(=O)C(=O)O)c1cncc(F)c1 1607455592 KIHUMTULVBZPBD-YFKPBYRVSA-N 270.220 -0.303 50 20 CBGD O=C(O)[C@@H]1CCC[C@@H](C(=O)N2CC[C@@H](B(O)O)C2)C1 1608620470 MCLGTSGAXRKQDO-OPRDCNLKSA-N 269.106 -0.047 50 20 CBGD CCNC(=O)CN(CC)[C@@H](C)C(=O)NNC(=O)CC 111198337 GOQBFZLBCQMUTK-VIFPVBQESA-N 272.349 -0.610 50 20 CBGD Cc1cc(C)n2nc(C(=O)NNC(=O)NC3CC3)nc2n1 138651865 WWMBGTCXXXAIMF-UHFFFAOYSA-N 289.299 -0.152 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C)OC 265882050 MZYIBVIEXPLBMC-ZETCQYMHSA-N 259.306 -0.527 50 20 CBGD CCO/C=C(\C#N)C(=O)N(C)C[C@H](O)CN1CCOCC1 269456942 FXCFDIDNSBPLPC-YLSINNKHSA-N 297.355 -0.418 50 20 CBGD COCCS(=O)(=O)CC(=O)NNc1cccc(F)n1 286554240 JYOFFQQPYOCTBV-UHFFFAOYSA-N 291.304 -0.275 50 20 CBGD COC(=O)COCC(=O)NNC(=O)c1ccccn1 287358306 RWTOKWZBGVFROH-UHFFFAOYSA-N 267.241 -0.968 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1cc(N(C)C)ncn1 290751350 QVAIAFVUBIESJB-UHFFFAOYSA-N 281.320 -0.743 50 20 CBGD CCN1CCC[C@H]1CNC(=O)c1cccc(B(O)O)c1 584925903 SLGFOKZJVLJDGA-ZDUSSCGKSA-N 276.145 -0.420 50 20 CBGD C[C@H]1CN(C)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584941027 BXZATUPEYIYDDJ-VIFPVBQESA-N 280.108 -0.718 50 20 CBGD Cn1cc(C(C)(C)NC(=O)c2cccc(B(O)O)c2)cn1 584949704 GSRFTHZUXFLVBO-UHFFFAOYSA-N 287.128 -0.235 50 20 CBGD COC[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584951480 QUQAWJPDYRKZLD-SECBINFHSA-N 281.092 -0.386 50 20 CBGD CN(C)CCN(C)C(=O)c1ccc(B(O)O)c(F)c1 584954127 FSDDZEGQWKMMST-UHFFFAOYSA-N 268.097 -0.861 50 20 CBGD NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(B(O)O)c1 584960165 IZDVPTCGXUDSKC-RYUDHWBXSA-N 290.128 -0.860 50 20 CBGD O=C(N[C@@H]1C[C@@H]1C(F)F)c1cc(B(O)O)ccc1F 585002629 BEFUQNNRIKCIMQ-IONNQARKSA-N 273.019 -0.111 50 20 CBGD OB(O)c1ccc(CNCCCn2cncn2)cc1 585021471 LHXPIYFYRUQCTH-UHFFFAOYSA-N 260.106 -0.862 50 20 CBGD CSC[C@@](C)(O)CNCc1cccc(B(O)O)c1 585025315 QYBPGMLDLGJVOP-LBPRGKRZSA-N 269.175 -0.430 50 20 CBGD C[C@H]1CN(C2CC2)C[C@@H]1NCc1ccc(B(O)O)cc1 585028689 OHBFSBRETZVKMX-NHYWBVRUSA-N 274.173 -0.061 50 20 CBGD OB(O)c1cccc(CNCCOC[C@@H]2CCCO2)c1 585030325 YWWMRJRCHNZGGT-AWEZNQCLSA-N 279.145 -0.348 50 20 CBGD CCOc1ccc(C(=O)NCB(O)O)cc1[N+](=O)[O-] 585057803 KWVIIVQTVIZZSL-UHFFFAOYSA-N 268.034 -0.265 50 20 CBGD O=C(NCB(O)O)c1cc(-c2cccs2)[nH]n1 585061350 WFLPTXOCAVQFRB-UHFFFAOYSA-N 251.076 -0.120 50 20 CBGD C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NCB(O)O)O1 585062343 GXTKJJREGBIBPK-DGCLKSJQSA-N 292.144 -0.596 50 20 CBGD C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@H](B(O)O)C1 585068618 CSUUTNQNLMKHNY-MXWKQRLJSA-N 254.139 -0.066 50 20 CBGD Cc1cc(NNC(=O)[C@H]2CCS(=O)(=O)C2)nc(C)n1 736716923 WKXKJYDLHPLTHI-VIFPVBQESA-N 284.341 -0.029 50 20 CBGD C[C@H](C(=O)NNc1ccnc(N(C)C)n1)S(C)(=O)=O 740114033 NLROCNRBHLQKHP-SSDOTTSWSA-N 287.345 -0.581 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)C)[C@@H]1CCCCNC1=O 744393532 NYUOQTAAQHTKHC-SNVBAGLBSA-N 298.387 -0.220 50 20 CBGD CN(C)C(=O)NNC(=O)CN1C(=O)c2ccccc2C1=O 746008335 NIWWAEOFVHYJCY-UHFFFAOYSA-N 290.279 -0.415 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C1=CCCCO1 746103005 DGYVDKKPHFGHSL-UHFFFAOYSA-N 255.274 -0.647 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H](C)CS(C)(=O)=O 746838381 DTMNWOBNJHWYAL-ZETCQYMHSA-N 265.335 -0.593 50 20 CBGD CCOCCNC(=S)NNC(=O)Cc1cc(C)[nH]n1 750984069 PEUVJZDJNKVAMC-UHFFFAOYSA-N 285.373 -0.208 50 20 CBGD CCO[C@H](C)C(=O)NNC(=O)CNC(=O)c1ccco1 751202319 RCZNLOJVCVVXGT-MRVPVSSYSA-N 283.284 -0.418 50 20 CBGD CN(CC(=O)NNC(=O)c1cccs1)C1CC(O)C1 759873434 NRNAWPLQGIBIMH-UHFFFAOYSA-N 283.353 -0.036 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(OC)cc1 764300152 LTQIALNCLHVBBM-UHFFFAOYSA-N 281.268 -0.573 50 20 CBGD Cc1cc(C(=O)NNC(=O)C2(C(=O)NC3CC3)CC2)n[nH]1 768276664 BMCBKEUESKABKN-UHFFFAOYSA-N 291.311 -0.462 50 20 CBGD COC(=O)[C@@H]1C[C@H](C)CCN1CC(=O)NNC(=O)C1CC1 775807359 RPARKTHBBHLYMS-KOLCDFICSA-N 297.355 -0.183 50 20 CBGD Cn1cc([C@H](CO)NS(=O)(=O)CBr)cn1 782473396 UDDHFFAYWLJJDD-ZETCQYMHSA-N 298.162 -0.275 50 20 CBGD CO[C@@H](C)CCC(=O)NNC(=O)C(=O)NC1CC1 782552373 IAYXHEDIAZHKND-ZETCQYMHSA-N 257.290 -0.773 50 20 CBGD C[C@@H]1C[C@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)CO1 784028701 ZMIGUVIXPUTEPV-OUAUKWLOSA-N 290.385 -0.096 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@H](O)c2cccnc2)CC1 807378559 FZBQRJQILNINGB-LLVKDONJSA-N 293.327 -0.897 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCNC(=O)[C@H]1C(C)C 827778180 QEWSUNIPMKWGRI-LLVKDONJSA-N 284.360 -0.754 50 20 CBGD CCCNCCNC(=O)NNC(=O)[C@H]1CCCCO1 841962118 WJNRRJBLACOQLA-SNVBAGLBSA-N 272.349 -0.115 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2C[C@H]3C[C@H]3N2)n1 843441666 HIMJUTQPVLIGCK-HLTSFMKQSA-N 263.301 -0.013 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnn2cccnc12 843644680 PKXSQAGOSHYMGQ-IUCAKERBSA-N 289.295 -0.085 50 20 CBGD CCCC(C)(C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 846634438 VIUKPPQLLSQWPN-QMMMGPOBSA-N 293.389 -0.102 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)Cc1nc(C)no1 847090986 DDBUXPQKIPEDIY-ZETCQYMHSA-N 269.305 -0.244 50 20 CBGD O=C(NNc1ncnc2ccsc12)C1(O)CNC1 852811996 NIMWBLPGEAEQEZ-UHFFFAOYSA-N 265.298 -0.531 50 20 CBGD COC[C@@H](OC)C(=O)NNc1ccnc(N(C)C)n1 857132424 FUWVWJMUIKGGGP-MRVPVSSYSA-N 269.305 -0.353 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCCc2ccco2)N1 858089103 FSUBWERYPXUPHT-SECBINFHSA-N 280.284 -0.569 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1ccc(C=O)cc1 858168424 VKFQVZDUNRSSCT-UHFFFAOYSA-N 291.307 -0.286 50 20 CBGD CC(=O)OCC(C)(C)CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862462099 UNRSAGCVHHCCRS-SECBINFHSA-N 299.327 -0.608 50 20 CBGD C[C@H]1CC(=NNC(=O)[C@@H]2CCC(=O)N2)c2nccn21 863149493 ARQGHFUSEMBRGF-YUMQZZPRSA-N 261.285 -0.053 50 20 CBGD C=C[C@](C)(CC)C(=O)NNC(=O)CS(C)(=O)=O 863465151 VGSKEFDXGKNSPA-SNVBAGLBSA-N 262.331 -0.219 50 20 CBGD CO[C@H](CNC(=O)c1ccc(B(O)O)cc1)C(F)(F)F 865851356 LXSUGPIQOPUFRG-SECBINFHSA-N 291.034 -0.327 50 20 CBGD CCn1ccc(C(=O)NNC(=O)COCCOC)n1 869903137 KTATZVAIFMPITO-UHFFFAOYSA-N 270.289 -0.673 50 20 CBGD CO[C@@H]1CN[C@](C)(C(=O)NNc2ncccn2)C1 876590376 UYMWUYWMKRZPNX-KWQFWETISA-N 251.290 -0.313 50 20 CBGD CC1CCN(C(=O)C(=O)NNC(=O)C2CCOCC2)CC1 883068589 ZXYCBXUWICNYHV-UHFFFAOYSA-N 297.355 -0.181 50 20 CBGD Cc1cc(OCC(=O)NNC(=O)c2cc[nH]n2)no1 918690826 YUANMRFRYLIKKZ-UHFFFAOYSA-N 265.229 -0.454 50 20 CBGD Cn1cc(C=NNC(=O)C(N)=O)c(-c2cccnc2)n1 1115892717 JEWCAIDQFBGXKU-UHFFFAOYSA-N 272.268 -0.583 50 20 CBGD Cc1nc(O)nc(S)c1C(=O)NN(C)[C@@H](C)CO 1263844584 IOPZSTYECDRFCV-YFKPBYRVSA-N 272.330 -0.263 50 20 CBGD CCc1nnsc1C(=O)NNC(=O)C(=O)N1CCCC1 1318221506 RLYBHRSWCGBIRL-UHFFFAOYSA-N 297.340 -0.516 50 20 CBGD Cn1cc(C(=O)NNC(=O)NNC(=O)C(C)(C)C)cn1 1318624582 XDZKIWGOSRLINL-UHFFFAOYSA-N 282.304 -0.559 50 20 CBGD CC(C)CONC(=O)NNC(=O)C(=O)NC1CC1 1319399564 REIWDBHYGKUAPL-UHFFFAOYSA-N 258.278 -0.817 50 20 CBGD C=CCNC(=S)NNC(=O)c1coc(C(N)=O)c1 1322555215 MOKRRJBOLSHMLS-UHFFFAOYSA-N 268.298 -0.327 50 20 CBGD O=C1C[C@H](C(=O)NNC(=O)CC(F)(F)F)CCN1 1328687304 DNFGLDGMCKXSIV-RXMQYKEDSA-N 267.207 -0.388 50 20 CBGD N#CCCN1CCN(CC(=O)NNC(=O)C2CC2)CC1 1330676504 QRXTVPXYMLSDCJ-UHFFFAOYSA-N 279.344 -0.925 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCn2ccnc2C1 1332175268 MRSYWVYWPLMIOW-NXEZZACHSA-N 252.318 -0.211 50 20 CBGD C#CCOCCNC(=O)NNc1nncc(N)c1Cl 1337653357 MRDBWGLHVALTIK-UHFFFAOYSA-N 284.707 -0.012 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccc(C(N)=O)nc1 1337930366 WTPVYVVEBXAVSI-UHFFFAOYSA-N 295.299 -0.839 50 20 CBGD NCC(F)(F)CNC(=O)NNc1nncc(N)c1Cl 1348563069 RFYKMUBBTCKLCO-UHFFFAOYSA-N 295.681 -0.068 50 20 CBGD Cn1ccc(C(=O)NNC(=O)C2CCOCC2)cc1=O 1353562112 SNQSPZPUULYDIX-UHFFFAOYSA-N 279.296 -0.427 50 20 CBGD O=C(/C=C/CN1CCOCC1)NNC(=O)[C@H]1CCCNC1 1580493368 FRMVFCPGYKUORZ-KMOQFTEPSA-N 296.371 -0.978 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc(C(=O)O)cn1 1589415032 DUIVJUQLSZEFAE-RQJHMYQMSA-N 294.267 -0.639 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)N2CC(C(=O)O)C2)cn1 1594536017 AWOOGQBYINBQFR-XNWCZRBMSA-N 260.253 -0.130 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccoc1CC(=O)O 1606870644 YHBYQEPJEXDEEM-UHFFFAOYSA-N 299.283 -0.113 50 20 CBGD O=C(O)CC1CC(NC(=O)NNC(=O)c2cnsn2)C1 1608692153 PHKRTJGCXXDCEK-UHFFFAOYSA-N 299.312 -0.265 50 20 CBGD O=C(CO)NN=C1CCc2ccc(-c3nn[nH]n3)cc21 1609528625 HJUHVXCYVDCXSZ-UHFFFAOYSA-N 272.268 -0.375 50 20 CBGD C[C@@H](CN1CCCCC1)NC(=O)NNC(=O)C(=O)O 1609742772 QIMYWJYWWAHVGA-QMMMGPOBSA-N 272.305 -0.724 50 20 CBGD CCOC(=O)NNC(=O)Cc1c(C)nc(C)[nH]c1=O 31223688 NWGPAVXQYNJZBF-UHFFFAOYSA-N 268.273 -0.293 50 20 CBGD CNC(=O)NNC(=O)/C=C/c1ccccc1-c1nnn[nH]1 103640850 USAFJRICQXYAOS-VOTSOKGWSA-N 287.283 -0.160 50 20 CBGD CN(C)CC(=O)NNC(=O)c1c[nH]c2ccccc2c1=O 113423783 IJUPFMPPFBZJJZ-UHFFFAOYSA-N 288.307 -0.149 50 20 CBGD COc1cc(F)cc(NNC(=O)Cn2cnnn2)c1 130909036 VWHCHGRUBVFJIG-UHFFFAOYSA-N 266.236 -0.036 50 20 CBGD C[C@H]1[C@@H](C)OCCN1CC(=O)NNC(=O)C1CC1 139206365 PKDFVOQSEGQBFJ-DTWKUNHWSA-N 255.318 -0.347 50 20 CBGD CN1CCC[C@H]1C(=O)NNC(=O)c1cccn1C 264028938 RDTWKOVMNUVPQP-JTQLQIEISA-N 250.302 -0.120 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)[C@H](C)O)cc1 276060146 CLVBDILEEBMZMQ-VIFPVBQESA-N 252.270 -0.098 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1nc2ccccn2n1 276836908 LXUFQPLDVFXXLZ-UHFFFAOYSA-N 292.299 -0.723 50 20 CBGD COC(=O)COCC(=O)NNc1cc(Cl)nc(N)n1 288637352 RKAHTHBJBALGGT-UHFFFAOYSA-N 289.679 -0.655 50 20 CBGD COC(=O)c1cn(CC(=O)NCC(Cl)Cl)nn1 289182582 VZGMWCKQGVDMBI-UHFFFAOYSA-N 281.099 -0.015 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)NC2CC2)n1C 294227806 SQTKQOPVEPIAAT-UHFFFAOYSA-N 280.284 -0.082 50 20 CBGD COc1nccnc1NNC(=O)[C@H]1C[C@]12CCOC2 364086855 POURNQZNSCFGQI-PELKAZGASA-N 264.285 0.355 50 20 CBGD COCCO[C@H](C)C(=O)Nc1cccc(B(O)O)c1 584912269 LZMUHMRQXUTKQH-SECBINFHSA-N 267.090 -0.644 50 20 CBGD C[C@H]1CO[C@H](C)CN1C(=O)c1ccc(B(O)O)c(F)c1 584927128 CUEXCZCCXDUUBG-DTWKUNHWSA-N 281.092 -0.245 50 20 CBGD CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(B(O)O)cc1 584938395 DVIZUFSEFZTYLP-UWVGGRQHSA-N 292.144 -0.601 50 20 CBGD C[C@@H]1CC[C@H](CO)CN1C(=O)c1cccc(B(O)O)c1 584967245 HJSZZVRPNCORPD-MNOVXSKESA-N 277.129 -0.401 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)[C@H](C)CN1C 584969272 KPNPGDNSEGVSHQ-VHSXEESVSA-N 294.135 -0.330 50 20 CBGD C[C@@H](NC(=O)c1cc(B(O)O)ccc1F)c1ncnn1C 584980203 SYRQTRSMMUKBFF-SSDOTTSWSA-N 292.079 -0.875 50 20 CBGD CC1(F)CC(NC(=O)c2ccc(B(O)O)cc2)C1 584994822 ODVKHQYWASEUJX-UHFFFAOYSA-N 251.066 -0.013 50 20 CBGD O=C(NC[C@H](CO)CC1CC1)c1cccc(B(O)O)c1 585006237 SPPORTFUPRTAGA-LLVKDONJSA-N 277.129 -0.495 50 20 CBGD C[C@H]1COCCN1CCNCc1cccc(B(O)O)c1 585032199 CUEVTSSTKCUNCB-LBPRGKRZSA-N 278.161 -0.823 50 20 CBGD CCN(C)C(=O)[C@H](C)NCc1cccc(B(O)O)c1 585038190 VPLGZYXDNKVQHA-JTQLQIEISA-N 264.134 -0.677 50 20 CBGD OB(O)c1ccc(CNc2cnn(CCF)c2)o1 585049428 PTOFPVQNIBKHPV-UHFFFAOYSA-N 253.042 -0.263 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=S)N[C@@H](C)C1CC1 751620659 KRLKAZGJVXRHBF-NKWVEPMBSA-N 272.374 -0.195 50 20 CBGD CSCCNC(=S)NNC(=O)c1cnn(C)c1 752763404 MGGAYQGVSWENFF-UHFFFAOYSA-N 273.387 -0.108 50 20 CBGD O=C(NCCn1cccc1)NNC(=O)C(=O)NC1CC1 753051033 XMTDZRXCGHFQOF-UHFFFAOYSA-N 279.300 -0.903 50 20 CBGD Cn1cc([C@H](CO)NC(=O)NNC(=O)C2CCCC2)cn1 753340069 PFXNWNBXSLEQBE-NSHDSACASA-N 295.343 -0.026 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCNC(=O)C2)c(O)c1 754462599 RQNZYQIYNSOBPL-SECBINFHSA-N 291.307 -0.012 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(C)c1F 764299379 GWTZAALOBNWLLT-UHFFFAOYSA-N 283.259 -0.134 50 20 CBGD C[C@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)C(C)(C)O 768260105 RKMZGUNLRYZNMI-QMMMGPOBSA-N 287.360 -0.154 50 20 CBGD CS(=O)(=O)NCCC(=O)NNc1ccccn1 777471696 YNYJHHIJFKWRQK-UHFFFAOYSA-N 258.303 -0.536 50 20 CBGD Cc1cc(C)cc(C(=O)NCC(=O)NNC(=O)CO)c1 777781673 HBGBXERZJQFLDG-UHFFFAOYSA-N 279.296 -0.827 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CC1OCCO1 788630658 MYENFLLEZISKHO-UHFFFAOYSA-N 253.258 -0.451 50 20 CBGD CO[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)C1CC1 792145918 RGTXAGUGRJULAX-SNVBAGLBSA-N 252.274 -0.475 50 20 CBGD COC(=O)NNC(=O)Cn1nnc2ccccc2c1=O 792606821 JPZMADLDQBLTSX-UHFFFAOYSA-N 277.240 -0.821 50 20 CBGD Cn1cc(C(=O)NNC(=O)C[C@H]2CCCOC2)cn1 793528541 UXALMENOVCPEHG-SECBINFHSA-N 266.301 -0.002 50 20 CBGD COC(=O)COCC(=O)NNC(=O)c1ccc(C#N)cc1 806688458 VBCYWGNUHHDRMZ-UHFFFAOYSA-N 291.263 -0.491 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)C(C)(C)C(N)=O 807369300 VAYOZQYZRXRVDX-UHFFFAOYSA-N 289.332 -0.566 50 20 CBGD C[C@H](C(=O)NNC(=O)N1CCN(C)CC1)c1cnn(C)c1 807381002 ZFIMRUXRGGINEV-JTQLQIEISA-N 294.359 -0.488 50 20 CBGD CC(=O)NCC(=O)NCC(=O)NNc1cccc(Cl)n1 817011798 KFSDGBGHBJTUNH-UHFFFAOYSA-N 299.718 -0.570 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCCCC(=O)O)cn1 821287562 PNZOKONQRZOGLH-UHFFFAOYSA-N 283.288 -0.381 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCCc2nn[nH]c21 823921976 GLDDANJZJKIPKW-JGVFFNPUSA-N 253.306 -0.432 50 20 CBGD COc1ncc(/C=C/C(=O)NN(C)[C@H](C)CO)cn1 823935657 VAENRNLZZGZNSH-XNPJLODASA-N 266.301 -0.158 50 20 CBGD CCCCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 825290731 GTBQTTLSLWSONY-UHFFFAOYSA-N 292.303 -0.061 50 20 CBGD O=C(CCOc1ccccc1)NNC(=O)NC1CNC1 841951897 RRNHGJJYKDBIJE-UHFFFAOYSA-N 278.312 -0.242 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843655713 WFBGAQJFUXCUGP-HRDYMLBCSA-N 292.357 -0.761 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H]1CCCS(=O)(=O)C1 845297791 XIYMDGSBIAXRSU-SECBINFHSA-N 291.373 -0.058 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H]2C(N)=O)cc1 847405390 IXFYBPZZWVENJC-GHMZBOCLSA-N 286.291 -0.169 50 20 CBGD O=C(CC(=O)NNC(=O)c1cc[nH]n1)NCC(F)(F)F 855356996 WZRKBZQHZAOWAB-UHFFFAOYSA-N 293.205 -0.761 50 20 CBGD CC1=C(C(=O)NNC(=O)c2cc[nH]n2)C(=O)OC1(C)C 855359503 ULWWWLFKDCPPLJ-UHFFFAOYSA-N 278.268 -0.177 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)OCC(F)(F)F 856026912 RFMLAXLCTIHFDX-YFKPBYRVSA-N 274.195 -0.033 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@H]2CCOC(=O)N2)n1 861460548 FNZHJHFBSSVQEN-SECBINFHSA-N 278.268 -0.350 50 20 CBGD O=Cc1ccc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 862463604 IIMDJANCWPSSOY-NSHDSACASA-N 289.291 -0.532 50 20 CBGD COc1cc(C=NNC(=O)[C@H]2CCC(=O)N2)sn1 863150819 CEIMPYPYMWHXHV-SSDOTTSWSA-N 268.298 -0.120 50 20 CBGD CC(C)OC(=O)[C@H](C)NC(=O)c1ccc(B(O)O)cc1 863886018 SCKSOKKPNVEMNH-VIFPVBQESA-N 279.101 -0.564 50 20 CBGD COCCOCC(=O)NNC(=O)C1CC2(CC2)C1 869900854 IOJXDTDLBUUROC-UHFFFAOYSA-N 256.302 -0.013 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CN(C)CCO2)cc1O 882049289 PBZSUPGLHJMXPS-GFCCVEGCSA-N 293.323 -0.208 50 20 CBGD C[C@@H]1C(=O)CCCN1C(=O)c1cccc(B(O)O)c1 885064189 ZYAPRBRIWTWYFP-SECBINFHSA-N 261.086 -0.440 50 20 CBGD C#CCSCC(=O)O[C@H](C)C(=O)NNC(=O)CC 885898451 JELSPADYFHAHOC-MRVPVSSYSA-N 272.326 -0.158 50 20 CBGD CNS(=O)(=O)c1ccccc1N1CC[C@@H](B(O)O)C1 900966014 QAACWJCELVCDCZ-SECBINFHSA-N 284.146 -0.352 50 20 CBGD O=C(O)C(F)(F)CNS(=O)(=O)CBr 905999700 PJOMOZIUPQBPSN-UHFFFAOYSA-N 282.062 -0.022 50 20 CBGD COC(=O)c1cc(C(=O)NN(C)C[C@@H](C)O)ccn1 910163128 MCPVBSONKQAJDI-MRVPVSSYSA-N 267.285 -0.174 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](CCN)C1 923485579 WCGZALHVCLVRJZ-NXEZZACHSA-N 256.350 -0.397 50 20 CBGD CN1CC(=O)N(CCCC(=O)NNC(=O)C2CC2)C1=O 1317993356 ZTRSHNKAFAWLDH-UHFFFAOYSA-N 282.300 -0.782 50 20 CBGD O=C(NNC(=O)[C@@H]1CCSC1)C(=O)Nc1ccccn1 1319149730 JAQKNLMYIVUFRI-MRVPVSSYSA-N 294.336 -0.079 50 20 CBGD CC(C)n1nccc1NC(=O)C(=O)NNC(=O)CN(C)C 1320357139 MREGAOUGJULGPI-UHFFFAOYSA-N 296.331 -0.889 50 20 CBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccn(C)n1 1320520242 KOQXAJXTOYKVHC-SSDOTTSWSA-N 267.289 -0.448 50 20 CBGD CC(=O)N[C@@H](CC(=O)NNc1ncccc1F)C(N)=O 1322800331 VXJJBUPTQQGFAT-QMMMGPOBSA-N 283.263 -0.956 50 20 CBGD Cc1ccc(/C=C/C(=O)NNC(=O)CS(C)(=O)=O)cn1 1331832324 AVAHUCJTQIHVLG-AATRIKPKSA-N 297.336 -0.405 50 20 CBGD Cc1nc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)cs1 1335353325 KCPOPHBSYYRXAL-MRVPVSSYSA-N 282.325 -0.580 50 20 CBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)C(=O)N2CCCC2)CCO1 1337066325 YWDBQYGEAKXKOA-UWVGGRQHSA-N 298.343 -0.493 50 20 CBGD Cc1ccc2c(c1)N(C(=O)C(=O)NNC(=O)CCO)CC2 1337981760 SGVUHMLZSFWTJT-UHFFFAOYSA-N 291.307 -0.586 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)NOCCC(F)(F)F 1338501094 HUZNQXIRXKQKAW-UHFFFAOYSA-N 298.221 -0.521 50 20 CBGD CCn1ncc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)n1 1549312442 FANIKZYJQIOXDC-VXGBXAGGSA-N 292.343 -0.389 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@H](OC)C(=O)O 1574237010 KXGVHUPZJSYKQW-VIFPVBQESA-N 282.252 -0.444 50 20 CBGD C=CCCC[C@H](N)C(=O)NNc1nccn(C)c1=O 1574908236 JCJVGOVWEPKNJO-VIFPVBQESA-N 265.317 -0.093 50 20 CBGD C[C@H]1CCN[C@H](C(=O)NNC(=O)c2ncon2)C1 1576745848 WMHKLWVHZZSYJZ-BQBZGAKWSA-N 253.262 -0.781 50 20 CBGD C[C@@](NC(=O)c1cc(B(O)O)ccc1F)(C(=O)O)C1CC1 1593145753 HOYXDZXQQPYRDG-ZDUSSCGKSA-N 295.075 -0.511 50 20 CBGD CC1(CNC(=O)NNC(=O)C(=O)O)CCOCC1 1594020256 QRHGEHBMJSNTRF-UHFFFAOYSA-N 259.262 -0.782 50 20 CBGD O=C(Cc1ccccn1)NNC(=O)[C@@H]1CC(C(=O)O)=NO1 1594711300 PIIILUIRTUDQJU-VIFPVBQESA-N 292.251 -0.999 50 20 CBGD Cc1nn2c(C=NNC(=O)C(=O)O)c(C)nc2s1 1600788831 FGAIDUPQZJTLFN-UHFFFAOYSA-N 267.270 -0.058 50 20 CBGD O=C(NCC[C@@H]1C[C@H]1C1CC1)NNC(=O)C(=O)O 1601508565 UFIQLNACYKWEIS-SFYZADRCSA-N 255.274 -0.162 50 20 CBGD C[C@H](C(=O)O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 1602804789 LSYSEWVWLPQGPW-OIBJUYFYSA-N 294.263 -0.306 50 20 CBGD NCC(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2 1842876838 OTJOJBDBNOBUCP-MRVPVSSYSA-N 263.700 -0.317 50 20 CBGD COC(=O)CCCNC(=S)NNC(=O)C1CC1 7926580 MDFKRAICFZFXJE-UHFFFAOYSA-N 259.331 -0.155 50 20 CBGD CNC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 48644290 SPHHSEMRJXWBAY-UHFFFAOYSA-N 275.268 -0.493 50 20 CBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1 126444157 GQMXHVSHPLQONM-UHFFFAOYSA-N 298.730 -0.013 50 20 CBGD NC(=O)[C@H]1CN(S(=O)(=O)CCCCCl)CCO1 184412516 RBAMFAAYILKROA-MRVPVSSYSA-N 284.765 -0.479 50 20 CBGD CC[C@@](C)(OC)C(=O)NNC(=O)C(=O)NC1CC1 280947689 JJWWYFIBLCJDOB-LLVKDONJSA-N 257.290 -0.773 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)NCCn1cnc(C#N)n1 286676084 BYYUKFSCXMHWNY-UHFFFAOYSA-N 293.331 -0.084 50 20 CBGD CCn1nncc1C(=O)NNC(=O)c1cccn1C 292725794 IIMHRFVFABPZOZ-UHFFFAOYSA-N 262.273 -0.289 50 20 CBGD COc1cccc(C(=O)NCC(=O)NNC(C)=O)c1 298312791 SGGHHNULSIWMEH-UHFFFAOYSA-N 265.269 -0.408 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNc1nc(C)cc(OC)n1 367643374 IQQDJYCHQAGJKB-JTQLQIEISA-N 295.343 -0.043 50 20 CBGD O=C(CN1CCCCCC1=O)Nc1cccc(B(O)O)c1 404927697 ALFNZUBFQJIQIJ-UHFFFAOYSA-N 290.128 -0.293 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)Cn1cccnc1=O 490753961 LMLJMYZXUSWXHY-UHFFFAOYSA-N 268.273 -0.201 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CC[C@H](CO)[C@H](O)C1 491176599 QNAFERLTAFRJEA-LFTXZHPPSA-N 254.286 -0.368 50 20 CBGD CNC(=O)NNC(=O)[C@H]1C[C@H]2C=C[C@H]1N(C(=O)OC)C2 496982791 PSHMKQGSCBDEKL-HRDYMLBCSA-N 282.300 -0.411 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1[C@H]2OCCC[C@@H]21 584914368 VUIYRAIIOUGXAQ-UTUOFQBUSA-N 261.086 -0.270 50 20 CBGD CNC(=O)C1(NC(=O)c2ccc(B(O)O)cc2)CCCC1 584938594 MDLSMBOHIWRZLQ-UHFFFAOYSA-N 290.128 -0.845 50 20 CBGD C[C@H]1CN(C)[C@H](C)CN1C(=O)c1ccc(B(O)O)cc1 584969318 LEWNQCJSVHYKMQ-MNOVXSKESA-N 276.145 -0.469 50 20 CBGD N#C[C@H]1CSCCN1C(=O)c1cccc(B(O)O)c1 584970228 NEANSMFCCZRIFF-NSHDSACASA-N 276.126 -0.552 50 20 CBGD C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)[C@H](C)CN1C 584970405 YRMVPCPYKSGTBY-WDEREUQCSA-N 276.145 -0.469 50 20 CBGD CC(C)(O)C(C)(C)NC(=O)c1cccc(B(O)O)c1 584970484 ZBKYMVSXOSKIFU-UHFFFAOYSA-N 265.118 -0.354 50 20 CBGD CCO[C@@H]1COCC[C@@H]1NC(=O)c1ccc(B(O)O)cc1 584976881 UWIBFTCMHJKOBB-QWHCGFSZSA-N 293.128 -0.710 50 20 CBGD C[C@H]1COCC[C@@H]1CNC(=O)c1ccc(B(O)O)cc1 584988797 FAXZOTMEPSPBEB-CMPLNLGQSA-N 277.129 -0.231 50 20 CBGD C[C@H]1CC[C@@H](CNC(=O)c2cc(B(O)O)ccc2F)O1 584998974 UIRJNULIEVIOLS-WPRPVWTQSA-N 281.092 -0.197 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@H]2CCOC[C@@H]2C1 585004765 MTEHZEIFWAMKRE-NEPJUHHUSA-N 275.113 -0.525 50 20 CBGD CC(C)COC[C@H](O)CNCc1ccc(B(O)O)cc1 585018755 RELBVUWIMDESEB-CQSZACIVSA-N 281.161 -0.511 50 20 CBGD CC(C)(C)NC(=O)CCNCc1ccc(B(O)O)cc1F 585024610 YUVMOEUDBLVAMA-UHFFFAOYSA-N 296.151 -0.100 50 20 CBGD OC[C@H](CNCc1ccc(B(O)O)o1)CC1CC1 585047351 NVGYGLNZMRCZHL-JTQLQIEISA-N 253.107 -0.542 50 20 CBGD O=C(NCB(O)O)[C@@H]1C[C@@]12CCOc1ccccc12 585060388 PXAHBGQAJCGLAS-GXFFZTMASA-N 261.086 -0.145 50 20 CBGD O=C([C@H]1CC(=O)N(C2CC2)C1)N1CC[C@@H](B(O)O)C1 585076777 ZKZIREVLJRRGLK-DTWKUNHWSA-N 266.106 -0.927 50 20 CBGD O=C(O)NCCC(=O)NNC(=O)CNc1ccccc1 738656288 CNRSBNLYOVCILE-UHFFFAOYSA-N 280.284 -0.096 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]1C(=O)O)[C@H]1Cc2ccccc2O1 739453534 KLGJZFHIKFLFLC-FXPVBKGRSA-N 290.275 -0.142 50 20 CBGD CNC(=O)c1ccc(NC(=O)NNC(=O)COC)cc1 755498632 DRXXYQCBOALJHN-UHFFFAOYSA-N 280.284 -0.155 50 20 CBGD Cn1ncc(C(=O)NNc2cc(Cl)nc(N)n2)c1N 758592133 FCQFIPVYJJNEMF-UHFFFAOYSA-N 282.695 -0.215 50 20 CBGD COCCCC(C)=NNC(=O)[C@H](C)NS(C)(=O)=O 759194349 AUVFBIMRUVQABS-VIFPVBQESA-N 279.362 -0.157 50 20 CBGD COCC(=O)NN=C1C(=O)Nc2cc3c(cc21)OCCO3 761818484 KHGZPLYNRUHEBO-UHFFFAOYSA-N 291.263 -0.123 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CCN(C(=O)CC)C1 773058995 KSIIDCKPFZJWLZ-QMMMGPOBSA-N 256.306 -0.405 50 20 CBGD COCCCOCC(=O)NNC(=O)c1cnn(C)c1 775748603 HDORNPHQBVYKSB-UHFFFAOYSA-N 270.289 -0.766 50 20 CBGD COc1nnccc1NC(=O)NNC(=O)c1cnn(C)c1 808903195 ZWMHCSZEPQYWEG-UHFFFAOYSA-N 291.271 -0.315 50 20 CBGD CN(C)c1ncc(C=NNC(=O)Cc2cc[nH]n2)n1C 814956941 IFKMJEUIKDVQAH-UHFFFAOYSA-N 275.316 -0.098 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCCCN(C)C1=O 824016996 XNGKGJZYDRNNJP-AXFHLTTASA-N 297.355 -0.183 50 20 CBGD CC(=O)NCCN(C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 827259770 LRHHRCNETYXULA-WCBMZHEXSA-N 286.332 -0.780 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2C[C@H]2C(=O)O)n1 831972817 RGXVXTDQXTXWLJ-NKWVEPMBSA-N 266.257 -0.043 50 20 CBGD O=C(O)NCC(=O)NNc1nccc(N2CCOCC2)n1 832397574 YFFBGQSVKKIKFX-UHFFFAOYSA-N 296.287 -0.976 50 20 CBGD COC(=O)C12CC(C(=O)NNC(=O)C3CC3)(C1)C2 843752223 LOKVSDLEWNCAGF-UHFFFAOYSA-N 252.270 -0.113 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1 843971297 BXEBVCIWIZBFGE-HTQZYQBOSA-N 269.301 -0.915 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCc3cncn3C2)n[nH]1 844139261 XOWYVPSSFOMJKM-SECBINFHSA-N 288.311 -0.062 50 20 CBGD CCS(=O)(=O)N[C@@H](CCSC)C(=O)NNC(C)=O 849174579 YHONAQGQNSURDB-QMMMGPOBSA-N 297.402 -0.785 50 20 CBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)c1ccc[nH]1 849192820 FRCFAWBJEFWWBW-UHFFFAOYSA-N 295.343 -0.768 50 20 CBGD COC(=O)[C@@H]1[C@H](O)CCCN1S(=O)(=O)CCl 849386163 AGUARGKFKOEGKO-RQJHMYQMSA-N 271.722 -0.489 50 20 CBGD Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H]2CC(=O)N2)c1 854190758 IMGWVORSPWJPHZ-LLVKDONJSA-N 291.307 -0.282 50 20 CBGD C[C@@H](NC(=S)NNC(=O)CCn1ccnn1)C1CC1 855098622 GFWNAQLQOVHCPJ-MRVPVSSYSA-N 282.373 -0.038 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNc1ncc(Cl)cn1 857354438 RLSKNMUNDWJVLI-BYPYZUCNSA-N 258.669 -0.370 50 20 CBGD C[C@H](Cc1ccco1)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858134610 FDWGIDZNLXIIJG-PSASIEDQSA-N 294.311 -0.180 50 20 CBGD CCOCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 860614342 JVRJJUUORDKZRS-SECBINFHSA-N 264.347 -0.485 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)N[C@@H]1CCNC1 861707011 LOZTXXYGQQGBSN-SECBINFHSA-N 294.311 -0.537 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H](O)C2CCCCC2)N1 862458399 FJWSCKGKCHNZEZ-KOLCDFICSA-N 283.328 -0.646 50 20 CBGD Cc1cc(=NNC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc[nH]1 862509552 PNXSLEATMGJXQH-NSHDSACASA-N 298.368 -0.321 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1CCCCS1 863464253 AJYKOBBUVLPOQF-SSDOTTSWSA-N 280.371 -0.536 50 20 CBGD COc1cccnc1C(=O)NNC(=O)N1CCOCC1 865046075 DWUSFDGTVUYQIK-UHFFFAOYSA-N 280.284 -0.223 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc(C(F)F)[nH]n1 878681379 PHGVHWNUKDMSIR-UHFFFAOYSA-N 261.232 -0.330 50 20 CBGD CN1C(=O)CCC[C@H]1C(=O)NNC(=O)CC1CC1 908446764 COOZBZIVQMCSNL-VIFPVBQESA-N 253.302 -0.055 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cc2n(n1)CCCC2=O 911443853 ALLXACSKUXOSSL-QMMMGPOBSA-N 266.301 -0.183 50 20 CBGD O=C1CSC[C@@H](C(=O)NNc2cccc(F)n2)N1 935961327 BTWLKQXHVAPNBW-LURJTMIESA-N 270.289 -0.105 50 20 CBGD CC(C)(O)CCNC(=O)NNC(=O)c1cn[nH]c1 1118863596 WNUHYCNGXFEDMW-UHFFFAOYSA-N 255.278 -0.485 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1CCN2CCC[C@H]2C1 1118864939 VCWXIYLQPSHQNT-MNOVXSKESA-N 292.343 -0.020 50 20 CBGD C[C@H](CC(=O)NNC(=O)CS(C)(=O)=O)n1cccn1 1118895134 IEEKLUWBEKGBMT-MRVPVSSYSA-N 288.329 -0.974 50 20 CBGD CN(NC(=O)CN1C(=O)CNC1=O)c1ccccc1 1256497229 ULUYCLKEBMFLJW-UHFFFAOYSA-N 262.269 -0.294 50 20 CBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)C1CCC1 1263730437 ZDBJBMHIIANFAF-ONGXEEELSA-N 266.345 -0.678 50 20 CBGD COC(=O)NNC(=O)c1cnc2c(c1)nnn2C 1320383382 CZTCIHJQGXMBQQ-UHFFFAOYSA-N 250.218 -0.636 50 20 CBGD CN(C)CC(=O)NNc1nc(O)c2cnn(C)c2n1 1324382270 BVINMTJIXLMVJO-UHFFFAOYSA-N 265.277 -0.926 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H](OC)C1CCCC1 1328186941 WEBQZVNBPGLDPT-VIFPVBQESA-N 287.316 -0.305 50 20 CBGD O=C(CN1CCC(CO)CC1)NNc1ncccn1 1335673501 LNXHGGXKORJPIO-UHFFFAOYSA-N 265.317 -0.376 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1CCCC(=O)N1C 1339305499 IIFNAHMHLSEJJP-QMMMGPOBSA-N 272.374 -0.099 50 20 CBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)CC(F)(F)F 1349952539 YTVIYVUTPJTXIE-SFYZADRCSA-N 294.277 -0.526 50 20 CBGD O=C1CN(CC(=O)NNc2ccccc2C(=O)O)CCN1 1602649213 OUYZKJYVBZERBP-UHFFFAOYSA-N 292.295 -0.740 50 20 CBGD CCOC(=O)c1cccc(C=NNC(=O)NCC(=O)O)n1 1605574347 PPXMENYZPJBVPC-UHFFFAOYSA-N 294.267 -0.024 50 20 CBGD CN1CCO[C@H](C(=O)NNc2ccc(C(=O)O)cn2)C1 1606249117 GJMHWFHVNVKCPC-VIFPVBQESA-N 280.284 -0.447 50 20 CBGD O=C(NNC(=O)c1ccc[nH]c1=O)c1ccccn1 21001330 GGBUJRCYBMIDJA-UHFFFAOYSA-N 258.237 -0.155 50 20 CBGD CCCCNC(=O)NNC(=O)C[C@H]1CCS(=O)(=O)C1 48645016 QSFQFCUZHKSWKT-SECBINFHSA-N 291.373 -0.058 50 20 CBGD CCNC(=O)NNC(=O)Cn1c(C)c(C)sc1=O 49183756 HCYYEKHXXUOUJH-UHFFFAOYSA-N 272.330 -0.123 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ncccc2O)cn1 117987614 VIQQRIVUTGVSCA-UHFFFAOYSA-N 261.241 -0.405 50 20 CBGD COCC(=O)N[C@H](C(=O)NNC(=O)NC1CC1)C(C)C 265899886 NFIUAGYZEIBLRX-JTQLQIEISA-N 286.332 -0.734 50 20 CBGD O=C1COc2ncc(C(=O)NNC(=O)C3CCC3)cc2N1 271571040 XBWSYUDPMRCSTE-UHFFFAOYSA-N 290.279 -0.026 50 20 CBGD COc1cccc(OCC(=O)NNC(=O)C(C)(C)O)c1 276284009 QMFLTFPLIVWUOG-UHFFFAOYSA-N 282.296 -0.008 50 20 CBGD O=C(Cc1ncccc1F)NNC(=O)N1CCOCC1 279478672 ICFOIISBGMLOBK-UHFFFAOYSA-N 282.275 -0.164 50 20 CBGD C=CCNC(=S)NNC(=O)CN1CCCCC1=O 280869821 BRDVJMPMPVMDBG-UHFFFAOYSA-N 270.358 -0.320 50 20 CBGD CCOC(=O)/C(C#N)=C/NNC(=O)C(=O)N1CCCC1 299472800 HPIRVHHXWFTYKH-CMDGGOBGSA-N 280.284 -0.800 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)Cc1ccncc1 373225759 CRJUUOLGKSRWLZ-GFCCVEGCSA-N 292.339 -0.508 50 20 CBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)OC)C1 495327284 XMQVUAQKJDXWGF-MRVPVSSYSA-N 293.345 -0.565 50 20 CBGD COC(=O)NNC(=O)c1cn(CC(=O)C(C)(C)C)nn1 495449444 WUDIIPCGJYTYEJ-UHFFFAOYSA-N 283.288 -0.106 50 20 CBGD COC(=O)N(C)NS(=O)(=O)N1C[C@H]2CC[C@H]1C2 496516732 DEPNYRJPWIWVGH-YUMQZZPRSA-N 263.319 -0.082 50 20 CBGD CCCNC(=O)CCNC(=O)c1cc(B(O)O)ccc1F 584933668 JFHVRDJBKBUKHM-UHFFFAOYSA-N 296.107 -0.848 50 20 CBGD CC[C@@H](NC(=O)c1ccc(B(O)O)cc1)c1n[nH]c(C)n1 584953863 YMFNCTHMRWSGEQ-LLVKDONJSA-N 288.116 -0.326 50 20 CBGD CC(C)(CO)NC(=O)c1cc(B(O)O)ccc1F 584966454 AIUNCIYKBXHWMB-UHFFFAOYSA-N 255.054 -0.994 50 20 CBGD C[C@@H](CNC(=O)c1ccc(B(O)O)c(F)c1)[S@@](C)=O 584967030 PJOWQZONDSCXSN-ZDVLTJLQSA-N 287.121 -0.998 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC(OC(F)F)C1 584982524 GLYPRGSNBHECBC-UHFFFAOYSA-N 271.028 -0.570 50 20 CBGD COCC1(C)CN(C(=O)c2cccc(B(O)O)c2)C1 584984341 WSIZWJVLFIHCPO-UHFFFAOYSA-N 263.102 -0.525 50 20 CBGD CC(C)[C@@H](CO)CNC(=O)c1ccc(B(O)O)c(F)c1 584990138 PMDPQYSBUXNXSU-SNVBAGLBSA-N 283.108 -0.500 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@@]1(C)CO 585009115 PMAGDLUQEPLSHH-XPTSAGLGSA-N 295.119 -0.404 50 20 CBGD OC[C@H](NCc1ccc(B(O)O)o1)C1CCCCC1 585027416 SGNBGQDOQNYJHB-LBPRGKRZSA-N 267.134 -0.010 50 20 CBGD OB(O)c1ccc(CNC[C@H](O)C2CCOCC2)c(F)c1 585028123 HYNXRYICLPCXIP-AWEZNQCLSA-N 297.135 -0.617 50 20 CBGD CCN(CC)CCOCCNCc1ccc(B(O)O)o1 585034055 FNOFQOXSBJKCHM-UHFFFAOYSA-N 284.165 -0.593 50 20 CBGD COC[C@@H](NCc1ccccc1B(O)O)[C@@H]1CCCO1 585039134 OTRONWMVRLNLMG-KGLIPLIRSA-N 279.145 -0.350 50 20 CBGD OB(O)c1ccc(CNC[C@H](O)C2CC2)c(F)c1 585040306 IJNHXHNVXOWYGK-LBPRGKRZSA-N 253.082 -0.634 50 20 CBGD O=C(NCB(O)O)c1cccc(Cl)c1[N+](=O)[O-] 585056853 CQCAONQMUBRKHP-UHFFFAOYSA-N 258.426 -0.010 50 20 CBGD COc1cnc2ccccc2c1C(=O)NCB(O)O 585062003 BJOXFDYEJZMXLV-UHFFFAOYSA-N 260.058 -0.015 50 20 CBGD Cc1[nH]nc(C(=O)NNC(=O)NC(C)C)c1[N+](=O)[O-] 729347127 MHJDDXCYQPRPRQ-UHFFFAOYSA-N 270.249 -0.021 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)CSCC(N)=O)cc1 735655756 JHMFTCVNNJVBGO-UHFFFAOYSA-N 292.320 -0.462 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1cccnc1 748265310 DJZAFWIJOJHGDZ-SNVBAGLBSA-N 296.327 -0.037 50 20 CBGD O=C(CN1CCO[C@@H]([C@H]2CCCO2)C1)NNC(=O)C1CC1 756897223 WFGCQYODEZOGKY-VXGBXAGGSA-N 297.355 -0.576 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cc2n(n1)CCCO2 761666206 OFKVOEKKQPMABL-UHFFFAOYSA-N 295.299 -0.648 50 20 CBGD CC(C)C(=O)NNC(=O)NCCc1ccnn1C 762593472 PUDDRFFOIQBRRB-UHFFFAOYSA-N 253.306 -0.051 50 20 CBGD CCN1C[C@@H](C(=O)NNc2nccnc2OC)CC1=O 764483564 FDPZRVFLEJMJAB-QMMMGPOBSA-N 279.300 -0.203 50 20 CBGD CN(NC(=O)Cc1ccc(-n2cnnn2)cc1)C(N)=O 770439530 IZVJOVIXSBBRCK-UHFFFAOYSA-N 275.272 -0.754 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1CC(=O)C1 772233410 YLNOTQMXNLHQMC-ZCFIWIBFSA-N 256.258 -0.545 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C1(O)CCC1 773633444 GGOBPUKIDOLPQU-UHFFFAOYSA-N 287.316 -0.427 50 20 CBGD CCNC(=O)N(C)NC(=O)CCCn1cncn1 780708719 JGYKGHNAIJQXQJ-UHFFFAOYSA-N 254.294 -0.249 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CC[C@H]2C(N)=O)n1 816827093 DULKIDPPEFPZBM-ZJUUUORDSA-N 293.327 -0.841 50 20 CBGD O=C1C[C@H](C(=O)NNC(=S)NCCc2cccs2)N1 820164406 AEJXDWKODPDPLU-MRVPVSSYSA-N 298.393 -0.326 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CN(C)[C@@H]1CCSC1 823939620 MULUTGHLFCCKIE-VHSXEESVSA-N 261.391 -0.233 50 20 CBGD COC(=O)NCCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 826927263 CUEBTPULXNEKMK-SFYZADRCSA-N 288.304 -0.902 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@@]1(C)CCC(=O)N1 826946789 PXSQMIPARHUBMB-IGJMFERPSA-N 298.343 -0.590 50 20 CBGD C=C[C@H](CC)CC(=O)NNC(=O)CS(C)(=O)=O 827588057 LFCJNPYCKUTSBN-MRVPVSSYSA-N 262.331 -0.219 50 20 CBGD CONC(=O)CNC(=O)[C@@]1(C)C[C@@H]1Br 832749659 XFHGEQIVRSRJSJ-XNCJUZBTSA-N 265.107 -0.046 50 20 CBGD CC[C@H](C(=O)NNC(=O)c1cc(C)[nH]n1)[C@H](C)O 842235671 MACVNLXUNNVJLW-YUMQZZPRSA-N 254.290 -0.114 50 20 CBGD O=C(CNC(=O)C1CCCCC1)NNC(=O)c1cc[nH]n1 855363066 XNFUDIIYIKJMJO-UHFFFAOYSA-N 293.327 -0.133 50 20 CBGD CO[C@@H]1C[C@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1(C)C 858273800 HKABYMJJPRZCNE-XHNCKOQMSA-N 298.343 -0.591 50 20 CBGD CC(=O)NC(C)(C)C(=O)NNC(=O)c1cn[nH]c1 862471424 DWAIMBFUESMKCW-UHFFFAOYSA-N 253.262 -0.915 50 20 CBGD O=C1CC[C@H](C(=O)NN=Cc2ccc(C(=O)O)[nH]2)N1 863148971 NXAGWAACQKXXOC-SSDOTTSWSA-N 264.241 -0.558 50 20 CBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1cncnc1C 863151214 IMMLSPTVJRUKIS-SNVBAGLBSA-N 261.285 -0.096 50 20 CBGD C#CCSCCNC(=O)c1cccc(B(O)O)c1 863873260 CXGXTBBGSCCLOY-UHFFFAOYSA-N 263.127 -0.537 50 20 CBGD COCCn1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cn1 869069034 XWXPPJXCHLKGBU-GXSJLCMTSA-N 296.327 -0.285 50 20 CBGD CCN(CCO)NC(=O)c1cc2n(n1)CCCC2=O 911442903 CSTZBQJNIDBXLP-UHFFFAOYSA-N 266.301 -0.181 50 20 CBGD COCCCNC(=O)NNC(=O)c1snnc1C 1116775857 HQYJSEDOWQODLH-UHFFFAOYSA-N 273.318 -0.173 50 20 CBGD CC(C)C(=O)N1CCC(C(=O)NNC(=O)CN(C)C)CC1 1318462860 UJWMYTUQWGLYEG-UHFFFAOYSA-N 298.387 -0.410 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)[C@H]3CCCOC3)nc21 1322739802 VLUHKGPDWDXKPU-ZETCQYMHSA-N 292.299 -0.061 50 20 CBGD COc1ccnc(NNC(=O)Cc2nnc(C)o2)n1 1326053702 MSLXNPJOJZCMRN-UHFFFAOYSA-N 264.245 -0.138 50 20 CBGD Cc1nnc(C(=O)NNC(=O)N2CCOCC2)s1 1333924571 RVOQNMMDZAHFDD-UHFFFAOYSA-N 271.302 -0.467 50 20 CBGD COCC(=O)NCCC(=O)NCCCSC#N 1334389611 PVSFSOGDWGLCMF-UHFFFAOYSA-N 259.331 -0.140 50 20 CBGD C[C@]1(CNC(=O)Cn2nnc(N)n2)C[C@@H]1Br 1337299645 MQYDMVODTVRULP-YLWLKBPMSA-N 289.137 -0.455 50 20 CBGD O=C1C[C@H](CNC(=O)NNc2ncc(Cl)cn2)CN1 1347928641 KKLDHKHIFMCZMK-LURJTMIESA-N 284.707 -0.108 50 20 CBGD CCOc1cc(C(=O)NNc2cnnn2C)on1 1351218713 YHDHPHOUXJFPLU-UHFFFAOYSA-N 252.234 -0.041 50 20 CBGD O=C(NN=C1CCOC1)[C@H]1CN2CCC[C@H]2CO1 1549316727 HXGGSPHDRGZVIU-WDEREUQCSA-N 253.302 -0.258 50 20 CBGD CN(N)C(=O)CCNS(=O)(=O)c1cccnc1 1573877646 VBYLCNVSJDEBKV-UHFFFAOYSA-N 258.303 -0.918 50 20 CBGD CCN(CCO)NC(=O)c1cc(-c2nn[nH]n2)cn1C 1590714296 AUQZDQIMCGORCI-UHFFFAOYSA-N 279.304 -0.836 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)o1 1590744531 QXJRKGVIFIFIRX-UHFFFAOYSA-N 265.233 -0.576 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNc1ncccc1C(=O)O 1593858107 DZXZZQSYUGEWSA-LURJTMIESA-N 282.256 -0.033 50 20 CBGD CS(=O)(=O)CC(=O)NN=C1C[C@H]2C[C@H](C(=O)O)[C@H]1C2 1599747340 QPLCSHHNNLWHOQ-PRJMDXOYSA-N 288.325 -0.366 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)CCCC(=O)O 1603486431 UHRCQICMIZJJFT-QMMMGPOBSA-N 259.306 -0.271 50 20 CBGD NC(=O)COc1ccc(C=NNC(=O)C(=O)O)cc1 1608235588 SFRQDCBQDZHLIM-UHFFFAOYSA-N 265.225 -0.915 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1sccc1C#N 52034100 MOLVWMQFSZIKFR-UHFFFAOYSA-N 280.309 -0.095 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)c2cccs2)CCN1 88060693 KMESATTWEZTIGK-SECBINFHSA-N 282.369 -0.197 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 130155135 UIWRQJVNYITFBS-VHSXEESVSA-N 284.360 -0.022 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CN(C)[C@@H]1CCSC1 153477381 DSSBEBZELHILFK-SECBINFHSA-N 297.384 -0.084 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)c1cccn1C 176442673 DTWYULIIDJPFCC-MRVPVSSYSA-N 287.341 -0.533 50 20 CBGD COC(=O)NCCCC(=O)NNC(=O)c1ccccn1 264454404 QFVGYWFRYKEASM-UHFFFAOYSA-N 280.284 -0.021 50 20 CBGD CS[C@H](C)CC(=O)NNC(=O)C(=O)NC(C)C 270135830 NONZKXKDYSWMMP-SSDOTTSWSA-N 261.347 -0.200 50 20 CBGD NC(=O)NC1(C(=O)NNC(=O)NC2CCCCC2)CC1 270888582 BZWABPLCNIIKQF-UHFFFAOYSA-N 283.332 -0.150 50 20 CBGD C[C@H]1COCC[C@@H]1C(=O)Nc1cccc(B(O)O)c1 405028741 NHHLLFPFSYGASS-CABZTGNLSA-N 263.102 -0.023 50 20 CBGD C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(B(O)O)c(F)c1 584999805 DPZBUIIKSIQVIM-GWCFXTLKSA-N 293.103 -0.174 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)CO1 585003275 JKHCYVQRTXAYIJ-VXNVDRBHSA-N 267.065 -0.587 50 20 CBGD CCN1CC[C@@H](CNCc2cccc(B(O)O)c2)C1 585017044 JFWNRFDZQXIDHK-ZDUSSCGKSA-N 262.162 -0.202 50 20 CBGD Cc1n[nH]cc1CCCNCc1ccc(B(O)O)o1 585017461 BLRCJSFPXUIHFF-UHFFFAOYSA-N 263.106 -0.287 50 20 CBGD C[C@H]1CN(C)CC[C@H]1NCc1ccccc1B(O)O 585022147 JVLUORNRUGLOSG-SMDDNHRTSA-N 262.162 -0.204 50 20 CBGD O=S(=O)(NCB(O)O)c1ncccc1C(F)(F)F 585057178 OGJGRCXGZZTKEP-UHFFFAOYSA-N 284.024 -0.609 50 20 CBGD CS(=O)(=O)NCCC(=O)NNc1ccc(Cl)nn1 735687394 GEDVHHKESZNWAS-UHFFFAOYSA-N 293.736 -0.488 50 20 CBGD C[C@@]1(NNC(=O)N[C@@H]2CCSC2)CCS(=O)(=O)C1 745899289 MFFRPWVZTGVGQQ-PSASIEDQSA-N 293.414 -0.127 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C)C#N 746291278 GVJGTBUOEAKFQK-ZETCQYMHSA-N 254.290 -0.402 50 20 CBGD Cc1cccc(C(=O)NNC(=O)C(=O)N2CCCC2)n1 748241392 YKHGVAZDNJAXNP-UHFFFAOYSA-N 276.296 -0.227 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc2c(c1)OCO2 755326794 ZWMVWJVLULTMSC-UHFFFAOYSA-N 253.214 -0.440 50 20 CBGD Cn1cc(NC(=O)NNC(=O)c2cnccn2)cn1 755492613 IFPRKOOHYBVVOE-UHFFFAOYSA-N 261.245 -0.323 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)Nc1cccn(C)c1=O 756685711 SQWACXMMWVINHV-UHFFFAOYSA-N 290.283 -0.117 50 20 CBGD CN(NC(=O)c1cn(Cc2ccccc2)nn1)C(N)=O 778416590 DWOSSXYVACDCKC-UHFFFAOYSA-N 274.284 -0.018 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN[C@H]1CCCC[C@H]1C(N)=O 782540619 XEYDVOVYMWWRBB-ZJUUUORDSA-N 298.387 -0.186 50 20 CBGD C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)N1CCOCC1 800329047 ZMPSIEFBDYCCHS-AEJSXWLSSA-N 271.317 -0.127 50 20 CBGD CCN1CCO[C@@H](C(=O)NNc2nnc(C)c(O)n2)C1 806364637 CSVUDHUYJUBUDC-MRVPVSSYSA-N 282.304 -0.951 50 20 CBGD O=C(CN1CCCS1(=O)=O)NCC(Cl)Cl 808131497 WRTZNNRIPVJANA-UHFFFAOYSA-N 275.157 -0.058 50 20 CBGD CCN(CC)C(=O)CCC(=O)NNc1cnnn1C 816771610 SRUAPWPHBFMRGV-UHFFFAOYSA-N 268.321 -0.093 50 20 CBGD CN1C[C@@H](C(=O)NNC(=O)c2cccc(F)n2)CC1=O 818387033 KKZWDFZXFWNQGT-ZETCQYMHSA-N 280.259 -0.540 50 20 CBGD CCN(CCO)NC(=O)CC(=O)NCC(F)(F)F 823873960 JPBCTAUAONJKQS-UHFFFAOYSA-N 271.239 -0.600 50 20 CBGD COC(=O)c1cc(C(=O)NN(C)[C@@H](C)CO)c[nH]1 823922785 MUFMOSRWSUONOW-ZETCQYMHSA-N 255.274 -0.241 50 20 CBGD CC(C)CC(=O)NNC(=O)C1=NN(C)C(=O)CC1 825314141 MTCBZPNPXLOIEQ-UHFFFAOYSA-N 254.290 -0.212 50 20 CBGD CCC(=O)N1CCN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1 827259883 MEOLIENRFIIGIK-NXEZZACHSA-N 298.343 -0.336 50 20 CBGD CC[C@H](CO)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 827280391 BGXBCTWVCVCJSM-HLTSFMKQSA-N 259.306 -0.487 50 20 CBGD CCOC(=O)c1cc(C=NNC(=O)NCC(=O)OC)[nH]n1 842530256 QRQJYCFCCQZCBS-UHFFFAOYSA-N 297.271 -0.608 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1C 843655329 IVGNVFAGCVIHNH-HLTSFMKQSA-N 269.301 -0.820 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(C(N)=O)c1 843971728 DIFWFVGHUSRRBJ-KWQFWETISA-N 291.307 -0.029 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)C(C)(C)O 845991986 GJBGPWQJFVDOLV-UHFFFAOYSA-N 259.306 -0.933 50 20 CBGD Cn1cnn(CCC(=O)NNC(=O)CC(C)(C)C)c1=O 848370005 VMIVOMGWUBTVST-UHFFFAOYSA-N 283.332 -0.445 50 20 CBGD O=S(=O)(CBr)NC[C@@H]1CNCCO1 850588452 HDISNKQETGIMEH-LURJTMIESA-N 273.152 -0.753 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H](C)CN1CCOCC1 854923342 RYFDDXWRNZQABB-SECBINFHSA-N 274.390 -0.578 50 20 CBGD O=C1N[C@H](C(=O)NNC(=O)C2CCCC2)CCO1 858429814 RORRQCCCAFNLPN-QMMMGPOBSA-N 255.274 -0.178 50 20 CBGD CC(C)[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 858694953 CVUUMTXKRFZSCJ-UWVGGRQHSA-N 298.343 -0.637 50 20 CBGD C#C[C@H](NC(=O)c1ccc(B(O)O)cc1)[C@H]1CCCO1 863879545 VFUWSTMJGKTOAB-QWHCGFSZSA-N 273.097 -0.723 50 20 CBGD CCOC(=O)[C@H](C)[C@@H](C)NC(=O)c1cccc(B(O)O)c1 863879681 XYLOSLYZNJBGPM-NXEZZACHSA-N 293.128 -0.316 50 20 CBGD CC[C@@]1(C(=O)NNC(=O)NC2CC2)CCNC1=O 865014735 MHNLRMKYWULYLA-LLVKDONJSA-N 254.290 -0.605 50 20 CBGD Cn1cc(C[C@@H](CO)CNS(=O)(=O)CCl)cn1 867473342 HIULHLGNOKRBHS-SECBINFHSA-N 281.765 -0.313 50 20 CBGD COC(=O)NNC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F 878000953 NUHHPBZQPHHSGI-RFZPGFLSSA-N 283.206 -0.312 50 20 CBGD NC(=O)[C@H]1CSCCN1S(=O)(=O)CCCCl 882039361 VKFPGZZRYSOGAV-SSDOTTSWSA-N 286.806 -0.152 50 20 CBGD CCCN(C)CC(=O)NNC(=O)c1cccnn1 882060854 XHFXXWOCQZONBH-UHFFFAOYSA-N 251.290 -0.421 50 20 CBGD C[C@@]1(C(=O)N[C@@H](CO)C(N)=O)C[C@@H]1Br 908136593 DBBBNVYGPLUTII-ZVQZEWSASA-N 265.107 -0.878 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cccc(-n2cncn2)n1 910139607 BTCACAFHOHHWOD-SECBINFHSA-N 276.300 -0.380 50 20 CBGD O=C(N[C@@H](CO)C[C@@H]1CCCO1)c1ccc(B(O)O)cc1 923751286 ZIWODDCOBWINTR-OLZOCXBDSA-N 293.128 -0.974 50 20 CBGD NC(=O)c1c[nH]c(C(=O)NNC(=O)Cc2ccncc2)c1 1116203539 NSONLWYVDUHOCL-UHFFFAOYSA-N 287.279 -0.488 50 20 CBGD O=C(NCCc1ccccn1)NNC(=O)c1cn[nH]c1 1119129105 UBIXFBUIJVLCRQ-UHFFFAOYSA-N 274.284 -0.009 50 20 CBGD Cn1cccc1C(=O)NNS(=O)(=O)c1ccnn1C 1318198891 FTGNOHMICDWUNX-UHFFFAOYSA-N 283.313 -0.618 50 20 CBGD CN(C)c1nccc(NNC(=O)C[C@H]2COC(=O)C2)n1 1319801569 ZINFTESMKAGKKC-MRVPVSSYSA-N 279.300 -0.061 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)C[C@@H]1CCCC(=O)N1 1323665059 RUQNJJWVQCKHDH-NSHDSACASA-N 290.323 -0.170 50 20 CBGD CCNC(=O)N(C)NC(=O)C[C@@H]1CCCS(=O)(=O)C1 1324993670 CVUZQTNHPPUWOR-VIFPVBQESA-N 291.373 -0.106 50 20 CBGD COCC#CC(=O)NNC(=O)NCC(F)(F)F 1328369160 MTQCNHAMDOUBNT-UHFFFAOYSA-N 253.180 -0.471 50 20 CBGD Cc1nc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)[nH]c1C 1330645480 OEXVXNRYZRYHJY-SECBINFHSA-N 284.341 -0.089 50 20 CBGD COc1nccnc1NNC(=O)c1ccc(C(N)=O)nc1 1331366191 PKRAKVWZSBTFNM-UHFFFAOYSA-N 288.267 -0.264 50 20 CBGD CCN(CCO)NC(=O)Cn1c(=O)oc2ccccc21 1332467993 CKLDAACDYCTPII-UHFFFAOYSA-N 279.296 -0.060 50 20 CBGD C[C@H](C(=O)NNC(=O)NC1CC1)[C@H]1CCC(=O)N1 1334938440 BDTDVFCNPVSACR-POYBYMJQSA-N 254.290 -0.606 50 20 CBGD Cn1c(C(=O)NNC(=O)Cc2cccnc2)cccc1=O 1335801649 HHCMAKOGYJYJRB-UHFFFAOYSA-N 286.291 -0.216 50 20 CBGD Cc1cc(C)nc(NNC(=O)c2cn(C)c(=O)nc2O)n1 1337351858 GXMRXULCZFSTAO-UHFFFAOYSA-N 290.283 -0.350 50 20 CBGD COCCC[C@H](C)C(=O)NNC(=O)C(=O)NC(C)C 1337365975 RWBGHOSYMSHVSY-VIFPVBQESA-N 273.333 -0.279 50 20 CBGD O=C(CC[C@@H]1NC(=O)NC1=O)NNc1ncc(Cl)cn1 1348045859 LPVQNJFMEURQFM-LURJTMIESA-N 298.690 -0.439 50 20 CBGD Cn1nc(C2CC2)nc1CC(=O)NNC(=O)c1cn[nH]c1 1348386880 IOGVPWPRYQBWAP-UHFFFAOYSA-N 289.299 -0.581 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H]1CN2CCN1C[C@@H]2C 1520824253 HTKPSHRJVNJVKY-QWRGUYRKSA-N 283.376 -0.495 50 20 CBGD CS(=O)(=O)SCCNC(=O)[C@]12C[C@H]1CCCN2 1579348876 NQIHFMTZHBAWHW-SCZZXKLOSA-N 278.399 -0.063 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CC[C@H]1C(=O)O 1589415644 KJJHKMRNLZGODR-JQCXWYLXSA-N 270.285 -0.330 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H](C(=O)O)C(C)(C)C 1593691941 HVPGXOLJDYRDTQ-MRVPVSSYSA-N 259.306 -0.558 50 20 CBGD O=C(O)C1=NO[C@@H](C(=O)NNc2ccnc(F)c2)C1 1594889901 NYUJXUYANHIZSO-SSDOTTSWSA-N 268.204 -0.107 50 20 CBGD O=C(CN1CCC[C@@H]2C[C@@]21C(=O)O)NNC(=O)C1CC1 1601313811 XNVLNUOTJAZGBK-RNCFNFMXSA-N 281.312 -0.517 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CO[C@H](CCC(=O)O)C1 1603202669 QIIBWXHXBYGOOR-KXUCPTDWSA-N 274.317 -0.400 50 20 CBGD CC(C)C(=O)NNC(=O)CN[C@@](C)(CCF)C(=O)O 1603706571 ZKZTZGQRVSZWKP-NSHDSACASA-N 277.296 -0.418 50 20 CBGD CNC(=O)NNC(=O)c1cnn(-c2ccccc2)n1 48950387 URSKKZRPOIWGBW-UHFFFAOYSA-N 260.257 -0.159 50 20 CBGD CCOC(=O)NCCC(=O)NNC(=O)NCC1CC1 49166499 XHEOODUNDBROTD-UHFFFAOYSA-N 272.305 -0.137 50 20 CBGD O=C([C@H]1CCCO1)N1CCN(S(=O)(=O)CCl)CC1 104341752 SVLSHNMHLBGQFT-SECBINFHSA-N 296.776 -0.164 50 20 CBGD C=CCNC(=S)NNC(=O)CNC(=O)c1ccoc1C 119929487 ZSGJPGDWVGGXDN-UHFFFAOYSA-N 296.352 -0.001 50 20 CBGD C[C@H](OC[C@H]1CCCO1)C(=O)NNc1nnc[nH]1 293878614 JMMVUIMHRBJSOT-JGVFFNPUSA-N 255.278 -0.168 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)c2cccs2)C[C@H]1N 300092849 UXWTYGMLXNOPOA-RKDXNWHRSA-N 282.369 -0.212 50 20 CBGD C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc(B(O)O)c1 584911204 HGABERBFJJYGRB-CYBMUJFWSA-N 290.128 -0.224 50 20 CBGD CN1CCC[C@@H](CN(C)C(=O)c2ccc(B(O)O)cc2)C1 584947305 LBZKPXVMMCASSP-GFCCVEGCSA-N 290.172 -0.220 50 20 CBGD COC[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)C(C)C 584952184 STESUPXTTHIIOG-LBPRGKRZSA-N 283.108 -0.094 50 20 CBGD CN(C(=O)CNCc1ccc(B(O)O)o1)C1CCCCC1 585031027 OQCCDZGDMMBGBK-UHFFFAOYSA-N 294.160 -0.160 50 20 CBGD CS(=O)(=O)C1(CNCc2ccc(B(O)O)o2)CCC1 585039766 VDUSIWBIGPADKE-UHFFFAOYSA-N 287.146 -0.984 50 20 CBGD O=C1C[C@H](NCc2cccc(B(O)O)c2)[C@@H]2CCCCN12 585042507 SNLHEQVODQZWIZ-KBPBESRZSA-N 288.156 -0.391 50 20 CBGD OB(O)c1ccccc1CNCc1nc(C2CC2)n[nH]1 585043411 LVKJMUUUFSMJQS-UHFFFAOYSA-N 272.117 -0.348 50 20 CBGD CC(C)(C(N)=O)c1nc(-c2cccc(B(O)O)c2)no1 585052623 SGZDOYOMDPYFSQ-UHFFFAOYSA-N 275.073 -0.821 50 20 CBGD CC(=O)Nc1ccc(S(=O)(=O)NCB(O)O)c(F)c1 585054678 PSTLYYAYBVXWHW-UHFFFAOYSA-N 290.081 -0.926 50 20 CBGD CSc1ccccc1S(=O)(=O)NCB(O)O 585059407 MOQWMJWUSYGQBO-UHFFFAOYSA-N 261.133 -0.301 50 20 CBGD O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NCB(O)O 585060977 NBKCKHSXOZMNLQ-VMPITWQZSA-N 288.112 -0.045 50 20 CBGD O=C(Cn1cnnn1)NNC(=O)c1ccc([N+](=O)[O-])cc1 725869617 XGSIQLQWNONCCX-UHFFFAOYSA-N 291.227 -0.958 50 20 CBGD CC(=O)N1CCC[C@H](C(=O)NNC(=O)C2CC2)C1 727942905 JIONBOHQUMNDEN-JTQLQIEISA-N 253.302 -0.198 50 20 CBGD CN(CC(=O)NNC(=O)c1cnn(C)c1)C(=O)C1CC1 735471196 UDFLWGAPNLYTMP-UHFFFAOYSA-N 279.300 -0.951 50 20 CBGD CCC(=O)NNS(=O)(=O)c1n[nH]c(C)c1C(=O)O 736848758 XTBIPKCSKUBMKO-UHFFFAOYSA-N 276.274 -0.864 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)COCC1CC1 740850141 VPFYMHBKGIDZHT-UHFFFAOYSA-N 285.344 -0.135 50 20 CBGD Nc1c(O)nc(O)nc1C(=O)NNC(=O)c1ccccc1 742240043 IMUCCYSVWJNALN-UHFFFAOYSA-N 289.251 -0.455 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN[C@H](C(N)=O)C(C)(C)C 748824711 NXZLBJANCSPTMW-SECBINFHSA-N 286.376 -0.331 50 20 CBGD CNS(=O)(=O)c1csc(C(=O)NNC(C)=O)c1 748837288 CAKXAANLIVCUCJ-UHFFFAOYSA-N 277.327 -0.563 50 20 CBGD C[C@H]1[C@H](C)N(CC(=O)NNC(=O)C2CC2)CCN1C 771465750 DCGLZAIIAWXVRA-UWVGGRQHSA-N 268.361 -0.432 50 20 CBGD COc1ccc(C(C)=O)cc1CC(=O)NNC(=O)CO 777781662 GJAMPDQGQWKFIF-UHFFFAOYSA-N 280.280 -0.420 50 20 CBGD C[C@H]1CCN(S(=O)(=O)NNC(=O)N2CCOCC2)C1 777930902 ODLBPRXLJYKQLT-VIFPVBQESA-N 292.361 -0.881 50 20 CBGD Cn1cnn(CC(=O)NNc2ccc(Cl)nc2)c1=O 781426721 FSSAXHZWYQSNDN-UHFFFAOYSA-N 282.691 -0.227 50 20 CBGD CC(C)(O)CC(=O)NNC(=O)CNC(=O)c1cccnc1 792649357 UMAWLAXVBKHMIS-UHFFFAOYSA-N 294.311 -0.880 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(C)(N)CC1 843375547 ZJPJIRYJEFZMQU-SECBINFHSA-N 256.350 -0.255 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1C[C@@]12CCOC2 843656951 NWPDGBXAXQBSAU-AVWBDOJWSA-N 268.313 -0.015 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@@H]2CCC[C@]2(CN)C1 846224233 IGFWMNLJOCWGDQ-SUNKGSAMSA-N 282.388 -0.007 50 20 CBGD C=C[C@@](C)(O)C(=O)NN(C)C(=S)NCCCOC 854285927 JTXPBUKQUBDDJR-LLVKDONJSA-N 275.374 -0.203 50 20 CBGD CN1CCN(C(=O)NNC(=O)C[C@H]2C[C@H]3CC[C@H]2O3)CC1 854381946 VWZZQJNKDMPBPM-IJLUTSLNSA-N 296.371 -0.068 50 20 CBGD C=C[C@@H]1OCCC[C@H]1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858518172 FVLYGQJHXRTTGK-BBBLOLIVSA-N 296.327 -0.671 50 20 CBGD CN(NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)C1CC1 862038112 UVORFSJHDGIOJX-SECBINFHSA-N 277.328 -0.102 50 20 CBGD CCN(CCC(=O)OC)C(=O)c1cc(B(O)O)ccc1F 863871523 QSGHNTDCRUVESM-UHFFFAOYSA-N 297.091 -0.469 50 20 CBGD O=C(NNC(=O)C1CCOCC1)N[C@@H]1CCN(C2CC2)C1 883415868 HEEBNFWSJDFSHF-LLVKDONJSA-N 296.371 -0.020 50 20 CBGD O=C(NCC[C@H](O)C1CC1)c1ccc(B(O)O)cc1 890712910 CDMQZKNPWWEOKF-LBPRGKRZSA-N 263.102 -0.743 50 20 CBGD COC(=O)[C@H](CO)NC(=O)[C@]1(C)C[C@@H]1Br 905868778 VNOXTHNFBDWLBW-ATVXKPNKSA-N 280.118 -0.190 50 20 CBGD CO[C@H](C)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 917623044 ZVRLMGSITXTDSX-RKDXNWHRSA-N 264.347 -0.486 50 20 CBGD CCCNC(=O)NNC(=O)[C@H]1CCN(C)C(=O)C1 921039256 LRNXGSVRXXMAOC-QMMMGPOBSA-N 256.306 -0.405 50 20 CBGD C[C@@H](NC(=S)NNC(=O)CCn1cnnn1)C1CC1 1119592123 YEILMMJPEPOWJH-SSDOTTSWSA-N 283.361 -0.643 50 20 CBGD CCOc1ncccc1NC(=O)C(=O)NNC(C)=O 1321139883 ACPJJPIIUWNPSG-UHFFFAOYSA-N 266.257 -0.414 50 20 CBGD C[S@@](=O)c1ccc(CC(=O)NNC(=O)CO)cc1 1321297001 GXVBNWIMKGDDOW-GOSISDBHSA-N 270.310 -0.894 50 20 CBGD CN(NC(=O)Cc1csc(N2CCOCC2)n1)C(N)=O 1321486482 VVZOQASITIZVLX-UHFFFAOYSA-N 299.356 -0.436 50 20 CBGD Cc1ccc(/C=C\C(=O)NNC(=O)CS(C)(=O)=O)cn1 1331832326 AVAHUCJTQIHVLG-WAYWQWQTSA-N 297.336 -0.405 50 20 CBGD CSCCNC(=S)NNC(=O)c1ncon1 1333937905 CTKICDHGABACDL-UHFFFAOYSA-N 261.332 -0.459 50 20 CBGD C[C@H](C(=O)NNC(=O)N=c1cc[nH]cc1)[C@@H]1CCC(=O)N1 1335202840 RAWIIGNPTARBTQ-WPRPVWTQSA-N 291.311 -0.429 50 20 CBGD C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)CS(C)(=O)=O 1335365462 AORDTVXDTUVJKU-YUMQZZPRSA-N 290.341 -0.816 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccoc2Cl)N1 1336669322 GYPGFNKIROYORH-LURJTMIESA-N 271.660 -0.027 50 20 CBGD COC(=O)C(=O)NN=C1C(=O)Nc2ccc(F)cc21 1339878607 AABAMLXJZJDOSX-UHFFFAOYSA-N 265.200 -0.229 50 20 CBGD COCCC[C@H](C)C(=O)NNC(=O)C(=O)NC1CC1 1341927673 GGQGSAJTNXZNTO-QMMMGPOBSA-N 271.317 -0.525 50 20 CBGD Cc1nnsc1C=NNC(=O)[C@@H](C)NS(C)(=O)=O 1343846736 BJYFVQBZZWDEQR-ZCFIWIBFSA-N 291.358 -0.766 50 20 CBGD C[C@H](NC(=O)NNC(=O)C1CCC1)[C@H]1CN(C)CCN1C 1347185454 JSHLUILDKHMEOU-CMPLNLGQSA-N 297.403 -0.249 50 20 CBGD C[C@H](C(=O)N1CC[C@H](B(O)O)C1)c1cnn(C)c1 1351728540 GKXZXOCYNMYOOI-WPRPVWTQSA-N 251.095 -0.401 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1 1358228770 VASLGYVSAGOZLS-VIFPVBQESA-N 281.272 -0.358 50 20 CBGD O=C(C[C@]1(O)CCCNC1)NNC(=O)[C@H]1CCCS1 1580497664 FYLXIFNQRCMMQY-BXKDBHETSA-N 287.385 -0.466 50 20 CBGD CC(=O)c1ccc(CCNC(=O)NNC(=O)C(=O)O)cc1 1589283908 UELCFIXLIDDAJQ-UHFFFAOYSA-N 293.279 -0.153 50 20 CBGD CCC[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)O 1596018319 IKGHNCODDFPXIJ-JTQLQIEISA-N 283.064 -0.511 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)O)cc1F 1603052896 XUMGRJYNMUUWLQ-UHFFFAOYSA-N 283.215 -0.370 50 20 CBGD C[C@H]1CN(C)C[C@@H](C(=O)NN=Cc2ccc(C(=O)O)[nH]2)O1 1776092645 WWCPAMUOMICGRE-KWQFWETISA-N 294.311 -0.118 50 20 CBGD CS(=O)(=O)CC(=O)NN=Cc1cc(C(=O)O)cs1 1776097114 LECUXBCLWQSYQY-UHFFFAOYSA-N 290.322 -0.059 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)n1C 50818710 SLQPXBNTOZWHMG-UHFFFAOYSA-N 266.301 -0.381 50 20 CBGD O=C(Cc1ccccc1F)NNC(=O)[C@@H]1COCCO1 66785481 KEDCMRNNECWWOD-NSHDSACASA-N 282.271 -0.069 50 20 CBGD O=C(NNc1cccnn1)N[C@H]1CC(=O)N(C2CC2)C1 79043179 RAZXBRPIDVVBLV-QMMMGPOBSA-N 276.300 -0.134 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(CC)CC1 111191762 BJQHZXXQCHEZNP-SNVBAGLBSA-N 256.350 -0.430 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 130155790 UIWRQJVNYITFBS-ZJUUUORDSA-N 284.360 -0.022 50 20 CBGD CCCNC(=O)NNC(=O)[C@H]1CCN(C(=O)CC)C1 133793765 GCNQFLIAAUTDNQ-VIFPVBQESA-N 270.333 -0.015 50 20 CBGD COC(=O)NNC(=O)COc1c(C)nn(C)c1C 274328924 ZKBFHKGVWIUOMY-UHFFFAOYSA-N 256.262 -0.197 50 20 CBGD CC(C)(O)C(=O)NNC(=O)C(C)(C)NC(=O)C(F)(F)F 278068117 ZAJIFBFEBCQIFC-UHFFFAOYSA-N 299.249 -0.638 50 20 CBGD CN(C)C(=O)NNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 299401053 VRKIJRQPMGXCKH-RKDXNWHRSA-N 296.327 -0.536 50 20 CBGD O=C(NNC(=O)[C@@H]1CC1(Cl)Cl)C(=O)N1CCCC1 299551826 LJFUGHFMKSCULX-LURJTMIESA-N 294.138 -0.050 50 20 CBGD O=c1nc(CNS(=O)(=O)CBr)[nH]o1 379405801 UXGYDIWZMJFXTP-UHFFFAOYSA-N 272.080 -0.865 50 20 CBGD CCN(C[C@@H](C)C#N)C(=O)c1ccc(B(O)O)cc1 584930654 PLKFFHYCCSEKRQ-JTQLQIEISA-N 260.102 -0.012 50 20 CBGD C[C@@H](NC(=O)c1cccc(B(O)O)c1)[C@@H]1CCOC1 584950383 JQVBTXMHVCXWTE-MWLCHTKSSA-N 263.102 -0.479 50 20 CBGD CCC(CC)[C@H](O)CNC(=O)c1ccc(B(O)O)cc1 584959489 HNSOWQSRIBBXRF-CYBMUJFWSA-N 279.145 -0.107 50 20 CBGD CC[C@@](C)(CO)NC(=O)c1cccc(B(O)O)c1 584968400 WYTGNAFQRDLCOK-LBPRGKRZSA-N 251.091 -0.743 50 20 CBGD CCN(C(=O)c1ccc(B(O)O)c(F)c1)[C@@H](C)CO 584994605 LXTFPNICIZBWNK-QMMMGPOBSA-N 269.081 -0.652 50 20 CBGD C[C@@H]1CCCN(CCNCc2ccc(B(O)O)o2)C1 585015870 NWBUPKKBJVTEFJ-LLVKDONJSA-N 266.150 -0.219 50 20 CBGD O=C1CCCCN1CCCNCc1ccc(B(O)O)cc1 585022199 KRSGMZYTFHSDTH-UHFFFAOYSA-N 290.172 -0.141 50 20 CBGD O=S(=O)(NCB(O)O)c1ncccc1Br 585057148 NLKVQZLRCOTZDQ-UHFFFAOYSA-N 294.923 -0.866 50 20 CBGD Cc1ccc(C)c(S(=O)(=O)NCB(O)O)c1[N+](=O)[O-] 585059673 WPAUGUZJQGBWFH-UHFFFAOYSA-N 288.090 -0.498 50 20 CBGD O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)NCB(O)O 585060300 DMKCZGYZEXUJER-CYBMUJFWSA-N 292.144 -0.594 50 20 CBGD Cn1cc(C(=O)NNC(=O)Cn2ccccc2=O)cn1 732305282 GWSSFAWLGONZIT-UHFFFAOYSA-N 275.268 -0.957 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@H]1CCN(C)C(=O)C1 745139784 UFQHPBAOQULNPZ-QMMMGPOBSA-N 256.306 -0.406 50 20 CBGD CC(C)NC(=O)NNC(=O)CCC(=O)N1CCOCC1 745146349 MQPPDVWYDSPNQP-UHFFFAOYSA-N 286.332 -0.636 50 20 CBGD CC(=O)N(C)c1ccc(NC(=O)NNC(=O)CO)cc1 756260691 BQXRRZNDPMMCDP-UHFFFAOYSA-N 280.284 -0.186 50 20 CBGD COc1ccnc(NNC(=O)[C@H]2CCN(C)C2=O)n1 772134484 UTQCOKJMCNIGTP-SSDOTTSWSA-N 265.273 -0.593 50 20 CBGD C[C@@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)[C@@H](C(N)=O)C1 778294263 RNNDJAJFMUQFRP-NXEZZACHSA-N 298.387 -0.234 50 20 CBGD Cc1ccc(C(=O)NNC(=O)c2cnn[nH]2)cc1O 779516547 XYNODDSNFPWBBC-UHFFFAOYSA-N 261.241 -0.106 50 20 CBGD CCn1cc(C=NNC(=O)NCC(=O)OC)cn1 779823518 QTIUTQMWNYSNGT-UHFFFAOYSA-N 253.262 -0.291 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CO[C@H](C)C1 784398801 VELPEOJCXQPULU-HTRCEHHLSA-N 252.274 -0.096 50 20 CBGD O=C(CCn1cnccc1=O)NNC(=O)NC1CCCC1 794253488 CYFQEOGXJABOEX-UHFFFAOYSA-N 293.327 -0.094 50 20 CBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)CC2CC2)o1 819140515 LCYYBPIHRAPVJS-UHFFFAOYSA-N 287.297 -0.512 50 20 CBGD CC(=O)N[C@@](C)(C(=O)NN(C)[C@@H](C)CO)C(C)C 823384043 AGGGSZJDCRFDJO-JOYOIKCWSA-N 259.350 -0.119 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccc2c(c1)C(=O)NCCO2 823384156 CYOPHHPQYMEDFZ-VIFPVBQESA-N 293.323 -0.234 50 20 CBGD CC(C)CN1C[C@H](C(=O)NN(C)[C@@H](C)CO)CC1=O 823977266 SDGKBKRJSDOIOF-WDEREUQCSA-N 271.361 -0.165 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](CO)CC1CC1 827276047 YCRSVCFCQIOGSA-INTQDDNPSA-N 285.344 -0.097 50 20 CBGD COC(=O)c1ccccc1NNC(=O)[C@@H]1CC(=O)N1 831706947 QJCRYDDPWNBJIF-VIFPVBQESA-N 263.253 -0.195 50 20 CBGD O=C(NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCCCO1 833255740 IAXHNKCDSPHVSD-KOLCDFICSA-N 295.339 -0.286 50 20 CBGD O=C(CNC(=O)[C@@H]1CCCN1)NNC(=O)c1ccccc1 844204092 MIVPJYSNZJPBSJ-NSHDSACASA-N 290.323 -0.684 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2CCO[C@H]2CN)n1 852841562 MHNMXRPCBNUXND-IUCAKERBSA-N 281.316 -0.399 50 20 CBGD CO[C@](C)(C(=O)O)C(=O)NNC(=O)c1ccccc1 852945291 XEMFLWYKMASAIJ-LBPRGKRZSA-N 266.253 -0.063 50 20 CBGD CNC(=S)N(C)NC(=O)C(C)(C)NC(=O)OC 854924208 RKHHJZABHDYSHY-UHFFFAOYSA-N 262.335 -0.412 50 20 CBGD CCN(CC)C[C@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858278936 MBBFMAYISRJAFP-UWVGGRQHSA-N 299.375 -0.674 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2cccc(F)n2)N1 860946112 FTQYOGQSKXHNSB-LURJTMIESA-N 281.247 -0.348 50 20 CBGD O=C(CSc1ccncc1)NNC(=O)[C@H]1CCC(=O)N1 862450234 YBGZTVKSCDBSSB-SECBINFHSA-N 294.336 -0.400 50 20 CBGD CSc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)ccn1 862452828 OHMOSNBMKRNJOJ-MRVPVSSYSA-N 294.336 -0.157 50 20 CBGD COCCC1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCC1 862457389 IFFWQDBZOMNUNT-VIFPVBQESA-N 283.328 -0.381 50 20 CBGD CCc1ccc(O)c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862460330 FYPGIFMAYIXKEW-JTQLQIEISA-N 291.307 -0.006 50 20 CBGD C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cn[nH]c1 862469465 KUSXPPHVHMULRH-BDAKNGLRSA-N 250.258 -0.238 50 20 CBGD Cc1c(CC(=O)NNC(=O)c2cn[nH]c2)cnn1C 862470555 QVIWPAWRVLKQFB-UHFFFAOYSA-N 262.273 -0.545 50 20 CBGD O=C(NCC(=O)C1CC1)c1cc(B(O)O)ccc1F 863878795 RCULPMOJPRPISA-UHFFFAOYSA-N 265.049 -0.786 50 20 CBGD CO[C@@H](CNC(=O)c1cccc(B(O)O)c1)C(F)(F)F 865850987 GBHGKOAFNLAHCM-VIFPVBQESA-N 291.034 -0.327 50 20 CBGD CCC(=O)N[C@H](CCSC)C(=O)NN(C)C[C@@H](C)O 910170668 PEFOHZFIJRGLGJ-NXEZZACHSA-N 291.417 -0.022 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)C1CC=CC1 913731061 SONKOPRUJRQWNH-UHFFFAOYSA-N 251.286 -0.278 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)C1CC2(CC2)C1 913734061 GQEKHZMGCOKGBJ-UHFFFAOYSA-N 265.313 -0.054 50 20 CBGD CN(CCS(N)(=O)=O)C(=O)[C@@]1(C)C[C@@H]1Br 913805016 CZSPEHGWIOMNAU-XPUUQOCRSA-N 299.190 -0.093 50 20 CBGD O=C(NNC(=O)c1ccc(Cl)cc1O)c1n[nH]c(O)n1 918361661 GCPZKHIIBHANKN-UHFFFAOYSA-N 297.658 -0.056 50 20 CBGD Cc1cc(C)nc(NNC(=O)CS(C)(=O)=O)n1 919700277 CPPXQFFMGGSOGI-UHFFFAOYSA-N 258.303 -0.419 50 20 CBGD O=C(NCCCO[C@H]1CCOC1)NNC(=O)c1cn[nH]c1 1118859926 GIQTYTVDWSVYOV-JTQLQIEISA-N 297.315 -0.451 50 20 CBGD COCC(=O)NCCC(=O)NNC(=O)C1CCCC1 1318510076 UCDSAECOAHPASH-UHFFFAOYSA-N 271.317 -0.523 50 20 CBGD CCc1cc(CNC(=O)NNC(=O)c2cnn(C)c2)n[nH]1 1318648080 ZOKRDEFPMMDHJU-UHFFFAOYSA-N 291.315 -0.150 50 20 CBGD O=C(NCCCN1C(=O)CNC1=O)NNc1cccnn1 1318973342 ITBUJPKXLIZAKW-UHFFFAOYSA-N 293.287 -0.955 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CO[C@@H]1CCOC1 1319361743 PYDFMTPBXPBMRT-MRVPVSSYSA-N 268.273 -0.715 50 20 CBGD Cn1cc(C(=O)NNc2nccnc2Cl)c(O)nc1=O 1322882626 IRSKLOWQHLRFGS-UHFFFAOYSA-N 296.674 -0.314 50 20 CBGD CC(C)C(=O)NNC(=O)NCCn1cnc(C#N)n1 1322943526 VQSIZCPFVSGROW-UHFFFAOYSA-N 265.277 -0.864 50 20 CBGD COCCNC(=O)/C(C#N)=C\c1cn(CC(=O)O)nn1 1323050529 BUPBOGCCOXPOBK-YWEYNIOJSA-N 279.256 -0.968 50 20 CBGD Cn1cc(CNC(=O)NNC(=O)Cc2ccncc2)cn1 1323485341 HOGOANDBMAZTBA-UHFFFAOYSA-N 288.311 -0.112 50 20 CBGD COc1ncncc1NC(=O)C(=O)NNC(=O)C(C)(C)C 1323888624 CEFUERWSRHBZMT-UHFFFAOYSA-N 295.299 -0.383 50 20 CBGD O=C1CC[C@@H](C(=O)NN=CCCc2cnoc2)N1 1329192034 RPVBZKWYDZYUNU-VIFPVBQESA-N 250.258 -0.012 50 20 CBGD CCOCCOCCCC(=O)N1CC[C@@H](B(O)O)C1 1329291818 GTJFIHSZPCNAET-LLVKDONJSA-N 273.138 -0.105 50 20 CBGD Cn1c(C(=O)NNC(=O)C2CCOCC2)cccc1=O 1332675039 VUJQJXNHSLTPEY-UHFFFAOYSA-N 279.296 -0.427 50 20 CBGD COC(=O)C(=O)NNC(=S)NCCCSC 1339878645 ABFZXFKBXYCVDR-UHFFFAOYSA-N 265.360 -0.592 50 20 CBGD COc1cccc(NNC(=O)[C@@H]2CN3CCN2C[C@@H]3C)n1 1348212357 MCYHHMKHNSRPMN-QWRGUYRKSA-N 291.355 -0.078 50 20 CBGD C[C@H]1[C@@H](CO)CCCN1C(=O)NNC(=O)c1cn[nH]c1 1351351478 FFSFHOLOGATJBN-DTWKUNHWSA-N 281.316 -0.143 50 20 CBGD CC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)[C@H]1CCN1 1575015078 LPHIBEMZTYJXIK-NXEZZACHSA-N 270.333 -0.954 50 20 CBGD CC[C@]1(C(=O)NNC(=O)c2ccc(=O)n(C)c2)CCCN1 1577198794 WMAQPPLHVMOWNW-CQSZACIVSA-N 292.339 -0.322 50 20 CBGD CCO/C=C(/C#N)C(=O)n1ncc(-c2nn[nH]n2)c1N 1578341004 JQASCGRSIXWIOQ-WAYWQWQTSA-N 274.244 -0.270 50 20 CBGD CC(C)(C)[C@H](NCC(=O)NNC(=O)C1CC1)C(=O)O 1589717901 SNLMDAJNZPFJBS-SECBINFHSA-N 271.317 -0.367 50 20 CBGD CC(C)(C)[C@@H](NCC(=O)NNC(=O)C1CC1)C(=O)O 1589717902 SNLMDAJNZPFJBS-VIFPVBQESA-N 271.317 -0.367 50 20 CBGD O=C1C[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)N1 1593381946 QGAWYHFOJLIQOZ-MRVPVSSYSA-N 273.256 -0.802 50 20 CBGD CC(C)(O)C(=O)NNC(=O)C1(C(=O)O)CCSCC1 1602953734 MVVDYTKWKPXWDQ-UHFFFAOYSA-N 290.341 -0.497 50 20 CBGD O=C(NNC(=O)c1ccnc(-c2nn[nH]n2)c1)c1ccoc1 1609558658 ZUPPJINYCHEAFS-UHFFFAOYSA-N 299.250 -0.071 50 20 CBGD NC(=O)c1csc(C(=O)NNC(=O)[C@@H]2CCCO2)c1 53508895 OMDSSAGTHJNDGP-ZETCQYMHSA-N 283.309 -0.213 50 20 CBGD CCCNC(=O)CN(CCC)CC(=O)NNC(=O)C1CC1 112977343 WSABJJGUHLMJMM-UHFFFAOYSA-N 298.387 -0.218 50 20 CBGD CCN(CC(=O)NNC(=O)c1cc(C)n[nH]1)C1CC1 153890525 FUNNABLEEKKPSZ-UHFFFAOYSA-N 265.317 -0.037 50 20 CBGD O=S1(=O)CC[C@H](NS(=O)(=O)CBr)C1 157714868 DGAJKLAEUHRVTL-YFKPBYRVSA-N 292.176 -0.555 50 20 CBGD Cn1cc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cn1 265595996 STRCQOFFOIPOME-UHFFFAOYSA-N 297.315 -0.294 50 20 CBGD CN1C[C@@H](NC(=O)NNC(=O)c2ccccc2)CC1=O 267469068 BTFGJCLBMOQELJ-JTQLQIEISA-N 276.296 -0.139 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@H]1CCCCS1(=O)=O 273150032 HJYQYAROGIKCRT-SNVBAGLBSA-N 299.352 -0.247 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CNC(=O)c1cccc(F)c1 278027655 ULAUGQWVXGAZSZ-UHFFFAOYSA-N 297.286 -0.526 50 20 CBGD COCCOCCC(=O)NNC(=O)c1ccncc1 299256674 RISOQUWILACTJX-UHFFFAOYSA-N 267.285 -0.104 50 20 CBGD C[C@@H](C(=O)NNC(=O)CO)N(C)C(=O)OC(C)(C)C 496601877 ZOWQCJSQWWWNBJ-ZETCQYMHSA-N 275.305 -0.619 50 20 CBGD CN(C)C(C)(C)CNC(=O)c1ccc(B(O)O)cc1 584924697 LDIHWUXNTUMGGT-UHFFFAOYSA-N 264.134 -0.564 50 20 CBGD CC(C)NC(=O)CN(C)C(=O)c1ccc(B(O)O)c(F)c1 584925994 WKYZQSHDPSMVMW-UHFFFAOYSA-N 296.107 -0.898 50 20 CBGD CN1CCN(C(=O)c2ccc(B(O)O)cc2)C(C)(C)C1=O 584956752 AJWOLORMAIMMTA-UHFFFAOYSA-N 290.128 -0.941 50 20 CBGD CN(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(B(O)O)cc2)C1 584959864 GZKXWSJVCNQLAU-UONOGXRCSA-N 290.172 -0.031 50 20 CBGD C[C@@H]1C[C@H](NC(=O)c2cc(B(O)O)ccc2F)CCO1 584968837 FNCWMJBVFBFKLI-PSASIEDQSA-N 281.092 -0.197 50 20 CBGD CCOCCN(C)C(=O)c1ccc(B(O)O)cc1 584970894 USHUMEXHVUCUDS-UHFFFAOYSA-N 251.091 -0.525 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@](F)(CO)C1 584989965 MBASVBVLKSBELC-CYBMUJFWSA-N 299.082 -0.558 50 20 CBGD CC(C)N1CC[C@@H](N(C)C(=O)c2cccc(B(O)O)c2)C1 584998673 GNCUFDFPCXFAAG-CQSZACIVSA-N 290.172 -0.079 50 20 CBGD NC(=O)C1(CNCc2ccc(B(O)O)o2)CCCC1 585032114 BKVMKLPWRPYZLZ-UHFFFAOYSA-N 266.106 -0.905 50 20 CBGD CCc1nc([C@@H](C)NCc2ccc(B(O)O)o2)n[nH]1 585035654 WKGUWAXHBYJNAK-SSDOTTSWSA-N 264.094 -0.509 50 20 CBGD C[C@H]1[C@H](CNCc2ccc(B(O)O)cc2)N(C)CCN1C 585043295 LUCFJHUJVKOKSZ-WFASDCNBSA-N 291.204 -0.910 50 20 CBGD CN1C(=O)CC[C@H](C(=O)NCB(O)O)[C@H]1c1ccccc1 585059341 JXGHQJCLQNKOEB-WCQYABFASA-N 290.128 -0.276 50 20 CBGD CCc1ccc(S(C)(=O)=O)cc1C(=O)NCB(O)O 585063030 QZELYSSCKJFJRV-UHFFFAOYSA-N 285.130 -0.606 50 20 CBGD CCNC(=O)NNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 726529127 JYVLVNRDZPHTEM-UHFFFAOYSA-N 284.276 -0.123 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cscn1 728435376 ZJOBGEZSUPQQGI-LURJTMIESA-N 276.343 -0.469 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](COC)C1 739919032 HRSDTWFJJFKCEV-UWVGGRQHSA-N 257.334 -0.099 50 20 CBGD CN(C)C(=O)NN=C1CCN(S(C)(=O)=O)CC1 747630244 LDWCRDLASHFUFZ-UHFFFAOYSA-N 262.335 -0.331 50 20 CBGD CN(CC(=O)NNC(=O)CC1CCCC1)S(C)(=O)=O 749942666 DEXDNVDYFXNUDG-UHFFFAOYSA-N 291.373 -0.395 50 20 CBGD CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)CO)C1 753443786 AHSNTKYHSZTXDX-VHSXEESVSA-N 285.344 -0.589 50 20 CBGD CC(C)Cc1nnc(NC(=O)NNC(=O)CO)s1 755412661 RGJFPZFLHFVLLT-UHFFFAOYSA-N 273.318 -0.118 50 20 CBGD CN(C)N(C(=O)C1=COCC1)[C@@H]1CCS(=O)(=O)C1 792852888 AAYGUKDDNHSKCL-SNVBAGLBSA-N 274.342 -0.217 50 20 CBGD CCOC1(C(=O)NNC(=O)C(=O)NC2CC2)CCCC1 794622544 ZYVHOQSMADUOLG-UHFFFAOYSA-N 283.328 -0.238 50 20 CBGD O=C(CN1CC[C@](F)(CO)C1)NNC(=O)c1ccccc1 802013164 VNFNZQZZVQKCPH-CQSZACIVSA-N 295.314 -0.146 50 20 CBGD CCN(CCO)NC(=O)Cn1c(=O)cnc2ccccc21 823837877 HQNORLDPJSJEGC-UHFFFAOYSA-N 290.323 -0.258 50 20 CBGD NC(=O)NCCC(=O)NNc1ccc(-c2nn[nH]n2)cc1 826392887 RESDGYKUGZXNQO-UHFFFAOYSA-N 290.287 -0.632 50 20 CBGD CO[C@@H]1COC[C@H]1NC(=O)NNC(=O)[C@H]1CCCCO1 827473020 AXIFVZQKYWTMMW-OPRDCNLKSA-N 287.316 -0.700 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccn(C)c1=O 831481404 PIEKBUPZVFMQFM-DTWKUNHWSA-N 294.311 -0.037 50 20 CBGD CC(C)C[C@@H](C(N)=O)C(=O)NNC(=O)c1cccn1C 839473082 YKTSKWJWKGRGLA-VIFPVBQESA-N 280.328 -0.066 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(N)=O)cc1 843648329 PZZJQLRMNNQNEZ-GZMMTYOYSA-N 291.307 -0.029 50 20 CBGD CN(NC(=O)[C@H](CO)NC(=O)c1cccc(F)n1)C1CC1 846268852 RLDXEZVDTSHDMG-JTQLQIEISA-N 296.302 -0.563 50 20 CBGD CN([C@H]1CCNC1)S(=O)(=O)CBr 850582874 WHYJQBLQICNWLZ-LURJTMIESA-N 257.153 -0.038 50 20 CBGD O=C(NNC(=S)NCC1CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 855092370 BOPXNCKVIMFBCK-HTQZYQBOSA-N 272.330 -0.053 50 20 CBGD CS(=O)(=O)C1(C(=O)NNc2nc[nH]n2)CCCC1 857261266 JIZFVGITNVGUDH-UHFFFAOYSA-N 273.318 -0.395 50 20 CBGD CCN(CCSC)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858702996 ROQNMRFVOXRUQQ-QMMMGPOBSA-N 288.373 -0.309 50 20 CBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 862094905 RRMOAAOGFNAQCB-BBBLOLIVSA-N 271.317 -0.671 50 20 CBGD C[C@@H](NNC(=O)CCn1ncn(C)c1=O)C(F)(F)F 862319809 AQQRUXHTGHPOLY-ZCFIWIBFSA-N 281.238 -0.457 50 20 CBGD CCOC(=O)N[C@@H](C(=O)NNC(=O)c1cn[nH]c1)C(C)C 862475017 WCOAFMJRUZRUIG-SECBINFHSA-N 297.315 -0.059 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCN1C1CCCC1 873836999 IRMXHNGRKIWAOT-LLVKDONJSA-N 296.371 -0.325 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@]1(C)C[C@H](OC)CN1 876884914 MEMRSJKKYWJTLR-GZMMTYOYSA-N 258.322 -0.554 50 20 CBGD COC(=O)CSCCC(=O)NN(C)C[C@H](C)O 910166367 VRPIROSEPDATFC-QMMMGPOBSA-N 264.347 -0.374 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H](C)NC(=O)c1ccoc1 910170461 LVSPZQGDNPBIHK-DTWKUNHWSA-N 269.301 -0.258 50 20 CBGD COC[C@@H](C)NC(=S)NNC(=O)CCN(C)C 916124435 KTXQDPWGSAIEBA-MRVPVSSYSA-N 262.379 -0.532 50 20 CBGD C[S@](=O)CCNC(=O)NNC(=O)Cc1ccncc1 1116195580 NIWNYRZJZISHGS-IBGZPJMESA-N 284.341 -0.667 50 20 CBGD Cc1onc(N)c1S(=O)(=O)NNC(=O)C(C)C 1117777557 USKKIKNFRBLEEI-UHFFFAOYSA-N 262.291 -0.469 50 20 CBGD Cn1cc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)nn1 1118240552 ILZWRDIIVMPPGO-VIFPVBQESA-N 282.304 -0.785 50 20 CBGD O=C(NNc1nc[nH]n1)[C@@H]1CCc2ncncc2C1 1261501601 GXPVJMREARAFCN-SSDOTTSWSA-N 259.273 -0.157 50 20 CBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(Cl)nc1 1320232920 UUFWXTIBKIDMBS-UHFFFAOYSA-N 299.718 -0.618 50 20 CBGD C[C@H](C(=O)NNC(=O)c1ccc[nH]1)S(C)(=O)=O 1321708328 IUYUUPWMIXVFNL-ZCFIWIBFSA-N 259.287 -0.791 50 20 CBGD COCc1ccccc1CNC(=O)NNC(=O)C(=O)OC 1322253456 KNEFIRZQPHIBHA-UHFFFAOYSA-N 295.295 -0.164 50 20 CBGD Cn1nnc2c1C[C@@H](C(=O)NNc1cccnn1)CC2 1326065483 BXKLNLHOSDDEGW-QMMMGPOBSA-N 273.300 -0.147 50 20 CBGD C[C@H]1CCN(CC(=O)NNC(=O)C2CC2)C[C@@H]1C(=O)O 1326186618 AKKOCNZDHHYHPZ-WPRPVWTQSA-N 283.328 -0.414 50 20 CBGD COc1ccnc(C(=O)NNc2nccn(C)c2=O)c1 1326394883 RQKCNUDSLNBUDW-UHFFFAOYSA-N 275.268 -0.059 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCc2nncn2C1 1330878707 GJOKIJGMUMZENN-BDAKNGLRSA-N 253.306 -0.816 50 20 CBGD O=C(O)C1(C(=O)N2CC[C@H](B(O)O)C2)CCSCC1 1331894279 CAQSQTQZWFULIS-QMMMGPOBSA-N 287.146 -0.340 50 20 CBGD CCC1(Cn2cc(C(=O)NN(C)C(N)=O)nn2)COC1 1347741534 CZBMXNNJGHNWAX-UHFFFAOYSA-N 282.304 -0.640 50 20 CBGD O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)CCl 1347759512 MOCWHEBCOPZXNH-HJWRWDBZSA-N 293.732 -0.372 50 20 CBGD Cc1onc(CO)c1C(=O)NNC(=O)[C@@H]1CCCCO1 1349811055 HPWDRGFOEPNJBN-VIFPVBQESA-N 283.284 -0.195 50 20 CBGD O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)NNC(=O)[C@@H]1CCC(=O)N1 1351628693 SUGSERTVPYKTJV-QCLAVDOMSA-N 281.312 -0.630 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1cc(C2CC2)no1 1351667576 RWKDGVNOLDTOQL-UHFFFAOYSA-N 287.297 -0.642 50 20 CBGD CN(C)[C@@H]1CCC[C@H](C(=O)NNC(=O)CCN)C1 1578410279 FQVHKMDQHGKHOS-VHSXEESVSA-N 256.350 -0.397 50 20 CBGD COC(=O)C[C@H](N)C(=O)NNC(=S)NC(C)(C)C 1578819225 RNRYISLREQYHDC-LURJTMIESA-N 276.362 -0.829 50 20 CBGD CC(C)(CO)CCCNC(=O)NNC(=O)C(=O)O 1590782562 TXSXCFCRWKLSQA-UHFFFAOYSA-N 261.278 -0.800 50 20 CBGD CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1OC 1591212057 JHFUNCQUSAFQJA-UHFFFAOYSA-N 291.271 -0.551 50 20 CBGD O=C(NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1cccnn1 1593157356 KCHMYTDGAOCTJD-UHFFFAOYSA-N 299.254 -0.940 50 20 CBGD COCC(=O)NCCC(=O)NNc1cccc(C(=O)O)c1 1599143331 RQTULIRLBAYLMI-UHFFFAOYSA-N 295.295 -0.019 50 20 CBGD CC(C)(C)[C@@H](C(=O)O)C(=O)NNC(=O)[C@@H]1COCCO1 1602852796 QKJHUOLTNIAKEU-JGVFFNPUSA-N 288.300 -0.704 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@](F)(C(=O)O)C1 1609028030 IHGRMEPMZQUNCD-GFCCVEGCSA-N 281.048 -0.995 50 20 CBGD Cn1nc(C(=O)NNC(=O)CC(C)(C)C)ccc1=O 103198807 IDAVRCDIEAIXNR-UHFFFAOYSA-N 266.301 -0.023 50 20 CBGD Cc1cc(C(=O)NNC(=O)CN(C)C)c(N)c([N+](=O)[O-])c1 113424570 REXDSRHOADUMEN-UHFFFAOYSA-N 295.299 -0.192 50 20 CBGD O=C(CCOc1ccccc1)NNC(=O)[C@H]1CCC(=O)N1 264392557 MOOUFAYCXYFJPB-LLVKDONJSA-N 291.307 -0.119 50 20 CBGD O=C(NNc1nnc[nH]1)[C@H]1CC(=O)N(Cc2ccco2)C1 293987429 RSHHJBRVFYQBAT-QMMMGPOBSA-N 290.283 -0.111 50 20 CBGD COC(=O)NNS(=O)(=O)c1c[nH]c(C(=O)O)c1 490937281 QHVNELHJTSKNRU-UHFFFAOYSA-N 263.231 -0.738 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1CCOC1 494642234 WKNQCGRIJHLNCN-MRVPVSSYSA-N 287.316 -0.305 50 20 CBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)OC)C1 495327285 XMQVUAQKJDXWGF-QMMMGPOBSA-N 293.345 -0.565 50 20 CBGD C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NNC(=O)CO 495902721 CSFHOZNFRSKRRN-HTQZYQBOSA-N 289.332 -0.325 50 20 CBGD Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc(B(O)O)cc1 584939615 KNIAZNWJHWDBRV-VIFPVBQESA-N 287.128 -0.101 50 20 CBGD C[C@@H]1CN(C)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584941026 BXZATUPEYIYDDJ-SECBINFHSA-N 280.108 -0.718 50 20 CBGD CCN1CC[C@@H](N(C)C(=O)c2ccc(B(O)O)c(F)c2)C1 584942951 XOMKFHPXVLWIAH-LLVKDONJSA-N 294.135 -0.328 50 20 CBGD CCN(C(=O)c1cccc(B(O)O)c1)C1CCN(C)CC1 584998323 PQUJMBPRJNAUSC-UHFFFAOYSA-N 290.172 -0.077 50 20 CBGD C[C@@H]1C[C@@H](CO)CN(C(=O)c2ccc(B(O)O)cc2)C1 584998873 BPVFTIVUBQSAQE-GHMZBOCLSA-N 277.129 -0.543 50 20 CBGD O=C(CCNCc1cccc(B(O)O)c1)N1CCCC1 585014238 LNJMMJRGUQFBON-UHFFFAOYSA-N 276.145 -0.532 50 20 CBGD C[C@]1(c2nc(-c3cccc(B(O)O)c3)no2)CNC(=O)C1 585052932 BLHAABLWEJROBE-CYBMUJFWSA-N 287.084 -0.806 50 20 CBGD CCCC[C@@H](NC(N)=O)C(=O)N1CC[C@H](B(O)O)C1 585076030 KFKJJDAGDNVQKL-DTWKUNHWSA-N 271.126 -0.711 50 20 CBGD COCCCNC(=S)N(C)NC(=O)c1cnccn1 726075743 FHDKHLAXSYUKOX-UHFFFAOYSA-N 283.357 -0.036 50 20 CBGD CC(C)C(=O)NNC(=O)[C@H](C)N1C(=O)CCC1=O 727723876 VCTZKWCNWVRYGX-ZETCQYMHSA-N 255.274 -0.673 50 20 CBGD CCNC(=O)NNC(=O)CNC(=O)CCC(C)C 732063355 OFAKJMMQWGYKEW-UHFFFAOYSA-N 258.322 -0.111 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CN1CCCC1=O 732082955 NSLNWSUHQHVXOE-UHFFFAOYSA-N 265.273 -0.898 50 20 CBGD CN(C)CC(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1 736761344 DMXJZGBIDMUBJZ-UHFFFAOYSA-N 273.300 -0.122 50 20 CBGD O=C(NNC(=O)c1ccoc1)c1ccc(-c2nn[nH]n2)nc1 738134226 HCVAOMLTLCHGLP-UHFFFAOYSA-N 299.250 -0.071 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)CC(=O)O 738801368 DUYPGAUXAFQAPK-MRVPVSSYSA-N 259.306 -0.415 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCC[C@@H](C)OC 748629117 ZNBZUSHJBXFULE-ZJUUUORDSA-N 291.348 -0.207 50 20 CBGD CC(C)(C#N)C(=O)NNC(=O)CNC(=O)c1ccco1 751204258 YLONHDYLYKUWRA-UHFFFAOYSA-N 278.268 -0.293 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=O)c1ccccc1 754956758 AQPYHTSGRDRPBB-GFCCVEGCSA-N 252.270 -0.155 50 20 CBGD CCC(CC)CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758041046 VDGDJZWQKXMNMB-MRVPVSSYSA-N 293.389 -0.102 50 20 CBGD Cc1cc2cc(NC(=O)C(=O)NNC(=O)CO)ccc2[nH]1 764420249 BQFQFWDMSYJOQA-UHFFFAOYSA-N 290.279 -0.445 50 20 CBGD CCNC(=O)N(C)NC(=O)CCSc1nnnn1C 780708271 HOMZXKHVKZMHKW-UHFFFAOYSA-N 287.349 -0.615 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NN=Cc1cnc(N)nc1 781584876 BBVBMNJUTXBVBC-SNVBAGLBSA-N 292.343 -0.523 50 20 CBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNC(=O)C(C)C 792015485 AWNNHKZYVZESMC-AWEZNQCLSA-N 295.339 -0.289 50 20 CBGD CC(C)(O)C(=O)NNC(=O)COCc1ccccn1 813530208 NOPXYGVIKJQBAO-UHFFFAOYSA-N 267.285 -0.484 50 20 CBGD O=C(NN=C[C@H]1CCCOC1)N[C@H]1CCS(=O)(=O)C1 814814319 HCBQCJGYJOJXOX-ZJUUUORDSA-N 289.357 -0.115 50 20 CBGD Cc1csc(=O)n1CCC(=O)NNc1nc[nH]n1 816632422 IFSZWPDKHDHDMP-UHFFFAOYSA-N 268.302 -0.130 50 20 CBGD C[C@](C#N)(CC(=O)O)C(=O)NNC(=O)c1ccccn1 819847839 PIOVQPYJXBPSGF-GFCCVEGCSA-N 276.252 -0.153 50 20 CBGD CN1CCN(C(=O)NNC(=O)CN2CCCC2)CC1 822764301 BOHHDDPYMGWTAF-UHFFFAOYSA-N 269.349 -0.930 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCOC[C@@H]1C 827267219 GPLUHTOSMJZYBR-GUBZILKMSA-N 271.317 -0.127 50 20 CBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)NC1CCCC1 841387370 SKXPQPJNTBSHKA-XPUUQOCRSA-N 270.289 -0.244 50 20 CBGD CCOC(=O)NCCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843971585 CMUZCNPZNWVIOE-DTWKUNHWSA-N 287.316 -0.305 50 20 CBGD CC(C)C(=O)NNC(=O)CN(C[C@@H](C)O)C1CC1 847107792 VRGGPIITGFBFEC-SECBINFHSA-N 257.334 -0.365 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1nc2ncccn2n1 855007277 UPDRBXCOTLZRGP-HTQZYQBOSA-N 290.283 -0.690 50 20 CBGD COc1cccc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862448497 FCHPUBIYHDHZTA-NSHDSACASA-N 291.307 -0.336 50 20 CBGD CC(C)Cn1nccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862458859 FEDCTASOJKDLEG-VIFPVBQESA-N 293.327 -0.421 50 20 CBGD CN1C(=O)C(=NNC(=O)[C@H]2CCC(=O)N2)c2ccccc21 863147162 ZZSJSTRFADMPDA-SECBINFHSA-N 286.291 -0.238 50 20 CBGD CC(C)OC(=O)[C@@H](C)CNC(=O)c1ccc(B(O)O)cc1 863874068 OQSGGJAHXHLWIJ-JTQLQIEISA-N 293.128 -0.316 50 20 CBGD C#C[C@@H](NCc1ccccc1B(O)O)[C@H]1CCCO1 863890844 FPSSCCLINWHGCR-ZIAGYGMSSA-N 259.114 -0.363 50 20 CBGD O=C(COCC1CC1)NNC(=O)c1cccnn1 882061131 YMSAXUAWMSNHCN-UHFFFAOYSA-N 250.258 -0.336 50 20 CBGD O=S(=O)(CCCCl)N[C@@H]1CCc2nnnn2CC1 882273904 XWJPXGKTZWCJQG-MRVPVSSYSA-N 293.780 -0.074 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1C[C@H]2CC[C@H]1[C@@H](O)C2 884438930 OKNACTBOVLFWON-SVNGYHJRSA-N 297.355 -0.003 50 20 CBGD OC[C@H](C[C@@H]1CCCO1)NCc1cccc(B(O)O)c1 895749194 PMYKJYGAURDRST-KBPBESRZSA-N 279.145 -0.614 50 20 CBGD CC[C@H](C)[C@H](NNC(=O)[C@@H]1CCC(=O)N1)C(=O)OC 905774944 SJUDKSUFIXOIBC-NRPADANISA-N 271.317 -0.527 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 910139287 KFQWYMVNTPPQAB-NXEZZACHSA-N 295.343 -0.883 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cnc2n(c1=O)CCS2 910180669 YODZFRMQJCDUAH-ZETCQYMHSA-N 284.341 -0.694 50 20 CBGD CC[C@@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)N(C)C 911505121 RILPCVHFRWVXHX-BBBLOLIVSA-N 257.334 -0.101 50 20 CBGD Cc1cc(C(=O)NN(C)C(N)=O)ccc1S(N)(=O)=O 1116492394 KZTPBOBYYBAMAV-UHFFFAOYSA-N 286.313 -0.702 50 20 CBGD COC(=O)N(C)NC(=O)Cc1nc2ncccn2n1 1117184972 QTXNFBCRNGTRAM-UHFFFAOYSA-N 264.245 -0.604 50 20 CBGD Cc1cc[nH]c1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1120376332 JXZUTLGHQWLDEG-ZETCQYMHSA-N 250.258 -0.637 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNc1ccc(-n2ccnc2)nn1 1261089984 DNRAXVTXFWKGQX-QMMMGPOBSA-N 289.299 -0.370 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ncccn1 1261498206 YCNHIAINECETDV-UWVGGRQHSA-N 278.312 -0.018 50 20 CBGD NC(=O)C[C@H]1CCCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1329192077 CPOJOZSTWMJBBM-MRVPVSSYSA-N 294.315 -0.649 50 20 CBGD COCCN(C)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 1329444861 GCOWLOITEHVNMR-SECBINFHSA-N 296.414 -0.484 50 20 CBGD C[C@H](C(=O)NNC(=O)N(C)C)n1cnc2c(N)ncnc21 1330237890 PWBIPVMQGHDMES-ZCFIWIBFSA-N 292.303 -0.728 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CCc2nnc(C)n2C1 1330862768 OBOQUHRMEFNYHH-QMMMGPOBSA-N 282.373 -0.384 50 20 CBGD CC(=O)N1CC[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)C1 1331338237 OXNNVNFLHPYWNN-SECBINFHSA-N 279.300 -0.421 50 20 CBGD N#CSCCCNC(=O)c1cn(CC(N)=O)nn1 1347701608 KLYMDVWXZKTSRG-UHFFFAOYSA-N 268.302 -0.902 50 20 CBGD CC(C)n1ccc(C(=O)NNC(=O)CS(C)(=O)=O)n1 1348435529 FZDNAZGYVAKJEI-UHFFFAOYSA-N 288.329 -0.730 50 20 CBGD C[C@H](CO)N(C)NC(=O)CN1CCC(CO)CC1 1353728763 WJFSBXOEDNDMFJ-SNVBAGLBSA-N 259.350 -0.966 50 20 CBGD COC(=O)[C@@H](N)CCC(=O)NNc1ccc(OC)cn1 1573928357 WVCVUTFQDGURHJ-VIFPVBQESA-N 282.300 -0.186 50 20 CBGD CCCn1ncc(C(=O)NNC(=O)NCCN)c1C 1577625081 ZLCYNNPIPPGTKN-UHFFFAOYSA-N 268.321 -0.496 50 20 CBGD NCC[C@H](NC(=O)NNC(=O)c1cc[nH]n1)C(F)F 1580283469 PYZWAWQTPXQGGS-YFKPBYRVSA-N 276.247 -0.664 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](C(=O)O)C1CC1 1589417102 SVTAWRCXLWELDR-NBEYISGCSA-N 270.285 -0.330 50 20 CBGD Cc1cc(NC(=O)NNC(=O)CO)cc(-c2nn[nH]n2)c1 1592027296 NOSUWZWAMLTJBO-UHFFFAOYSA-N 291.271 -0.680 50 20 CBGD CCCCNC(=O)NNC(=O)c1cnc(C(=O)O)cn1 1595759825 QAXSEVHDAWCSBX-UHFFFAOYSA-N 281.272 -0.081 50 20 CBGD CS(=O)(=O)CC1CCC(=NNC(=O)C(=O)O)CC1 1599748699 RQDVCWIIYKFYJH-UHFFFAOYSA-N 276.314 -0.222 50 20 CBGD O=C(CCO)NNC(=O)Nc1ccc(C(=O)O)cn1 1601280441 MWOKHGSNILFZFA-UHFFFAOYSA-N 268.229 -0.685 50 20 CBGD O=C(O)Cc1ccc(NC(=O)NNC(=O)CO)cc1 1602125314 XWONBHHKQOSEQT-UHFFFAOYSA-N 267.241 -0.541 50 20 CBGD COc1nccnc1NNC(=O)c1cc(C(=O)O)on1 1610373237 RZQLFZVITBPKCM-UHFFFAOYSA-N 279.212 -0.072 50 20 CBGD COC(=O)NNC(=O)c1ccc2c(c1)[nH]c(=O)n2C 158695235 FWMIXECHBAMTKT-UHFFFAOYSA-N 264.241 -0.133 50 20 CBGD COc1cc(C)nc(NNC(=O)C2(CN)CCOCC2)n1 284756533 YARWJGDQXJPGJX-UHFFFAOYSA-N 295.343 -0.008 50 20 CBGD COC(=O)COCC(=O)NNC(=O)c1ccccc1OC 287628805 ZKBVEDULMTWRIW-UHFFFAOYSA-N 296.279 -0.354 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc(C#N)cc(N(C)C)c1 295251447 MUGJPYJYEBSTAZ-UHFFFAOYSA-N 289.339 -0.053 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1COCCN1C1CCCC1 369148342 SHEZKQZCBLODJP-LLVKDONJSA-N 299.371 -0.452 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1C[C@H]1c1nc[nH]n1 584913632 HNJPDDBSENBAQP-ZJUUUORDSA-N 272.073 -0.773 50 20 CBGD COCC[C@H](COC)NC(=O)c1ccc(B(O)O)c(F)c1 584991236 WQYXZZWVSLIDKX-SNVBAGLBSA-N 299.107 -0.713 50 20 CBGD CN(CCN1CCCCC1)C(=O)c1cccc(B(O)O)c1 585004239 AIOJJFAOJHFEQY-UHFFFAOYSA-N 290.172 -0.076 50 20 CBGD CC(C)N1CC[C@H](NCc2ccc(B(O)O)cc2F)C1=O 585028869 OMZFQAMPQVYFAH-ZDUSSCGKSA-N 294.135 -0.396 50 20 CBGD CC[C@H](C)NC(=O)[C@H](C)NCc1ccc(B(O)O)o1 585032991 TTZMCIJGQBLDSW-IUCAKERBSA-N 268.122 -0.648 50 20 CBGD C[C@@H](COC1CCCC1)CS(=O)(=O)NCB(O)O 585059406 MNHZUVPSKURCRZ-VIFPVBQESA-N 279.167 -0.487 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)c1cnccn1 728852052 KGXRTKSYDWPUPB-UHFFFAOYSA-N 257.253 -0.125 50 20 CBGD COC(=O)NCCC(=O)NNC(=O)NCC1CC1 730773746 WRRUOWGTEAXIEH-UHFFFAOYSA-N 258.278 -0.527 50 20 CBGD O=C1CC(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)=NN1 732257188 FKOWYCASEFIGHF-UHFFFAOYSA-N 291.223 -0.768 50 20 CBGD CC(C)(C(=O)NNC(=O)C1=NNC(=O)C1)c1ccccc1 732290441 PQSOPQBTLPJAJS-UHFFFAOYSA-N 288.307 -0.013 50 20 CBGD CC(C)[C@@H](C)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 733138105 DJNJMKGWBIBILY-BDAKNGLRSA-N 291.373 -0.204 50 20 CBGD C[C@@H](Cn1cccn1)NCC(=O)NNC(=O)C1CC1 733198993 OVUKLSFUXYDVND-VIFPVBQESA-N 265.317 -0.581 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCc2c[nH]nc2C1 750720053 LOPGPQSVJDJQFW-MRVPVSSYSA-N 265.317 -0.286 50 20 CBGD CCO[C@@H](C)C(=O)NNC(=O)CNC(=O)c1ccco1 751202321 RCZNLOJVCVVXGT-QMMMGPOBSA-N 283.284 -0.418 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCc2n[nH]cc2C1 767115648 MVGXKULIXISVSD-SECBINFHSA-N 281.316 -0.366 50 20 CBGD CCO[C@@H]1C[C@@H]1C(=O)O[C@H](C)C(=O)NNC(=O)CC 772026646 UXJKJTQLWMOGIR-HRDYMLBCSA-N 272.301 -0.100 50 20 CBGD COC(=O)[C@H](C)SCC(=O)NNC(=O)C1CC1 777503652 BOBJIGFCPLWBKQ-LURJTMIESA-N 260.315 -0.162 50 20 CBGD O=C(CO)NNC(=O)c1cccc(N2CCCC2=O)c1 777781857 NLHBHPUVNZMNDJ-UHFFFAOYSA-N 277.280 -0.433 50 20 CBGD CCN(C)C(=O)CNC(=O)NNC(=O)c1cccc(C)n1 793060344 AKIXGIKETPQUOP-UHFFFAOYSA-N 293.327 -0.188 50 20 CBGD O=C1CCC[C@H](C(=O)NNC(=O)C2CCCC2)N1 799557586 YAFKCKKVUVFGSF-SECBINFHSA-N 253.302 -0.007 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cccc(C#N)n2)cn1 810418261 XEECPYUZHJBLLG-UHFFFAOYSA-N 270.252 -0.238 50 20 CBGD COCCC(COC)=NNC(=O)Cc1cc(O)nc(O)n1 812225909 DYXBMBHSOZOQIS-UHFFFAOYSA-N 298.299 -0.415 50 20 CBGD CC(C)(O)C(=O)NNC(=O)Cn1cc(Cl)cn1 813529781 HOMUHLMHMBGYFV-UHFFFAOYSA-N 260.681 -0.545 50 20 CBGD O=C(NNC(=O)[C@H]1CCCS(=O)(=O)C1)c1ccccn1 816808083 ARAATDKFPVDBLJ-VIFPVBQESA-N 297.336 -0.333 50 20 CBGD C=C[C@@H](O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 816809164 MWXNNWYFQCNZGN-SECBINFHSA-N 265.225 -0.097 50 20 CBGD CCN(CCO)NC(=O)c1ccc(=O)n(CCOC)c1 823852768 OZAMLNGXSSLKPI-UHFFFAOYSA-N 283.328 -0.546 50 20 CBGD CNc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1F 824857166 PHXZESBTXXYQKK-SNVBAGLBSA-N 294.286 -0.093 50 20 CBGD COC(=O)CCCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843653854 DPMKPOPVTKUERN-IUCAKERBSA-N 272.301 -0.098 50 20 CBGD COC(=O)C12CC(C(=O)NNC(=O)N(C)C)(C1)C2 843780045 ZITXICLEUKPSJV-UHFFFAOYSA-N 255.274 -0.368 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H]1CCc2nnnn2CC1 845302210 PHRRUSLQYNJNBT-MRVPVSSYSA-N 281.320 -0.634 50 20 CBGD O=C(NCCN1CCCC1=O)NNC(=O)[C@H]1CCCCO1 845487142 TXPOFKQGDUWTAX-SNVBAGLBSA-N 298.343 -0.492 50 20 CBGD O=C(CCN1C(=O)CCNC1=S)NN=c1cc[nH]cc1 847691840 VTEILSJBKLHVOT-UHFFFAOYSA-N 293.352 -0.557 50 20 CBGD CC(C)(C)n1nnc(CC(=O)NNC(=O)CC2CC2)n1 854667204 IWCCQRQJINQUMZ-UHFFFAOYSA-N 280.332 -0.082 50 20 CBGD CC[C@H](C(=O)NNC(=O)c1cc[nH]n1)C(=O)OC 855356205 IHXOTWOGKNNSAK-ZCFIWIBFSA-N 254.246 -0.630 50 20 CBGD CCN(C[C@@H]1CCCO1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858699384 PIHNKJGWPZHKPS-VHSXEESVSA-N 298.343 -0.493 50 20 CBGD C[C@H](OCC1CC1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862453661 LXZMEGPAIXYVRK-CBAPKCEASA-N 269.301 -0.773 50 20 CBGD C[C@@H](Oc1ccccn1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862462105 UPMRMGGGWZGAIP-RKDXNWHRSA-N 292.295 -0.725 50 20 CBGD CC(C)(C)[C@H](NC(N)=O)C(=O)NNC(=O)c1cn[nH]c1 862470913 YFBKJAABJKXIOO-SSDOTTSWSA-N 282.304 -0.746 50 20 CBGD CC(C)(C)[C@@H](NC(N)=O)C(=O)NNC(=O)c1cn[nH]c1 862470914 YFBKJAABJKXIOO-ZETCQYMHSA-N 282.304 -0.746 50 20 CBGD Cc1cnn(CCC(=O)NNC(=O)c2cn[nH]c2)c1 862474346 LAFHZQMSSFKVBJ-UHFFFAOYSA-N 262.273 -0.234 50 20 CBGD O=C1CC[C@@H](C(=O)NN=C2CCCn3ccnc32)N1 863151020 GASUYNLQZGXUNX-VIFPVBQESA-N 261.285 -0.224 50 20 CBGD Cc1[nH]c(C=NNC(=O)CS(C)(=O)=O)cc1C(=O)O 863186541 BBGDBXRWOZABSI-UHFFFAOYSA-N 287.297 -0.484 50 20 CBGD C[C@@H]1CN(C2CC2)CC1=NNC(=O)CS(C)(=O)=O 863188047 XXIFTIXQRSYJPV-MRVPVSSYSA-N 273.358 -0.383 50 20 CBGD CC(=O)[C@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 863883454 ALIKOPNLCNKGQO-CYBMUJFWSA-N 275.113 -0.050 50 20 CBGD O=C(CCn1cccn1)NNC(=O)CN1CCCC1=O 913730563 ZWPUSYAKYKEDOK-UHFFFAOYSA-N 279.300 -0.957 50 20 CBGD CNC(=O)NNC(=O)[C@]12CCC(=O)N1CCS2 920746650 YXSYKLRGNUUYIU-SECBINFHSA-N 258.303 -0.988 50 20 CBGD CCCNC(=O)NNC(=O)CCn1cc([N+](=O)[O-])cn1 921038263 NVRXEAFBRXBLQQ-UHFFFAOYSA-N 284.276 -0.078 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)c1cnn(C)c1C 1116187303 NWCKDFSKUQQFCB-LURJTMIESA-N 283.288 -0.707 50 20 CBGD COCCS(=O)(=O)CC(=O)NNc1ncncc1F 1117730454 GQZBTJAAJJISPS-UHFFFAOYSA-N 292.292 -0.880 50 20 CBGD O=C(NCC(=O)N1CC[C@@H](B(O)O)C1)c1cccs1 1118915101 FMCSPPARMJRNBL-MRVPVSSYSA-N 282.130 -0.447 50 20 CBGD Nc1cnnc(NNC(=O)[C@H]2CCNC(=O)C2)c1Cl 1253123997 NRQKGXRBORIWML-YFKPBYRVSA-N 284.707 -0.319 50 20 CBGD Cc1cccc(C(=O)NNC(=O)NCC(=O)N(C)C)n1 1256315158 AEPGGSBNBHXDNM-UHFFFAOYSA-N 279.300 -0.578 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)c(O)n1 1318221885 XIEVVNOXDDXHHO-UHFFFAOYSA-N 292.295 -0.521 50 20 CBGD COC(=O)C(=O)NNC(=O)Nc1cccnc1OC 1319034675 FAIYQIUIKQSZJV-UHFFFAOYSA-N 268.229 -0.584 50 20 CBGD CCCc1cc(NC(=O)C(=O)NNC(=O)C2CC2)n(C)n1 1321140614 OMMKGNAKJMWJQZ-UHFFFAOYSA-N 293.327 -0.132 50 20 CBGD CN1N=C(C(=O)NNc2ncnc3[nH]cnc23)CCC1=O 1322146147 XVRDMJZOAVQTOC-UHFFFAOYSA-N 288.271 -0.596 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=S)NC(C)C 1322528533 BJACWFDNKHHQBC-SSDOTTSWSA-N 275.378 -0.273 50 20 CBGD O=C(CN1C(=O)CNC1=O)NNc1cccc(F)n1 1323968906 NFCYPCGFJZNKTR-UHFFFAOYSA-N 267.220 -0.784 50 20 CBGD Cn1cc(C(=O)NNC(=O)N[C@H]2CC[C@H](O)CC2)cn1 1325509451 KLEVJQORYIEZGZ-MGCOHNPYSA-N 281.316 -0.332 50 20 CBGD COc1nccnc1NNC(=O)COCc1nncn1C 1329625871 YQJRGLPQEDXZTI-UHFFFAOYSA-N 293.287 -0.726 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cnc(C3CC3)[nH]2)N1 1330107558 FAWMHEDGBGZBSU-ZETCQYMHSA-N 277.284 -0.673 50 20 CBGD C=CCNC(=S)NNC(=O)c1cn(C2CC2)nn1 1331496489 BHXIPVGLJCDGDG-UHFFFAOYSA-N 266.330 -0.092 50 20 CBGD O=C(COC[C@H]1CCCO1)NNC(=O)C1CCOCC1 1332290380 IZWLGYSECFKPLT-LLVKDONJSA-N 286.328 -0.244 50 20 CBGD CCCNC(=O)CCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1335419602 UFHXVEFXXOFPOV-VIFPVBQESA-N 298.343 -0.891 50 20 CBGD CCn1cc(C(=O)C(=O)NNC(=O)NCCCOC)cn1 1335903606 BVKLWZOIFNBZIR-UHFFFAOYSA-N 297.315 -0.547 50 20 CBGD CN1CCC(CC(=O)NNC(=O)Cc2cc[nH]n2)CC1 1343707371 KNGRDOZWXHBEJJ-UHFFFAOYSA-N 279.344 -0.169 50 20 CBGD Cc1noc(CCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1 1346068232 KFHLLCUMFAHDLS-VXNVDRBHSA-N 282.300 -0.117 50 20 CBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)c1ccc[nH]1 1520747424 OWKJQZGFRNUOBK-GXSJLCMTSA-N 277.328 -0.836 50 20 CBGD CSCC[C@H](N)CC(=O)NNC(=O)CN(C)C 1579380043 GHDUEFYRUKPMNR-QMMMGPOBSA-N 262.379 -0.834 50 20 CBGD O=C(CCCCCO)NNC(=O)NC1CCNCC1 1580528423 JDUQMEIDCIFDPR-UHFFFAOYSA-N 272.349 -0.379 50 20 CBGD Cc1onc(CC(=O)NNC(=O)N(C)C)c1-c1nn[nH]n1 1592516468 MQYKXMHHZLTCRL-UHFFFAOYSA-N 294.275 -0.992 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@H]2CC[C@H]1[C@@H](C(=O)O)C2 1609682874 SGOXFFITSRNXIT-DCAQKATOSA-N 297.355 -0.025 50 20 CBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)NCC(F)(F)F 1609886296 HIFFRDWSZUBMCC-SCSAIBSYSA-N 271.195 -0.010 50 20 CBGD O=C(O)C(=O)NN=Cc1cccc2c1OCCO2 1610714465 RQPDHNGZRFAQCR-UHFFFAOYSA-N 250.210 -0.008 50 20 CBGD COCCNC(=O)NNC(=O)COc1ccc(C#N)cc1 42843122 NGJUOINDCLHCIH-UHFFFAOYSA-N 292.295 -0.086 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)[C@H](C)NC(N)=O 67467257 NNPBDIJMQZGFHR-QMMMGPOBSA-N 294.311 -0.558 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(C)C2)o1 84374078 DXPZLHNRXYGKRD-MRVPVSSYSA-N 265.269 -0.173 50 20 CBGD CN1C[C@@H](C(=O)NNC(=O)c2cccc(C#N)c2)CC1=O 103402195 IKUQNLSIOIVFMQ-NSHDSACASA-N 286.291 -0.202 50 20 CBGD COc1ccccc1C(=O)NNC(=O)c1c[nH]nn1 104643608 WZEJRTJPUKNPNO-UHFFFAOYSA-N 261.241 -0.112 50 20 CBGD COc1ccnc(NNC(=O)[C@H]2CN(C)CCO2)n1 266133716 KMFLJIZOITVMSI-MRVPVSSYSA-N 267.289 -0.741 50 20 CBGD O=S(=O)(CBr)NCC1(CO)COC1 388268654 DSFSIGVWQKHTDZ-UHFFFAOYSA-N 274.136 -0.733 50 20 CBGD CCNC(=O)CCC(=O)Nc1cccc(B(O)O)c1 584909531 FCCRWHRNXMRJSZ-UHFFFAOYSA-N 264.090 -0.779 50 20 CBGD COC1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584926749 ZYNJEFLRNMZXOJ-UHFFFAOYSA-N 281.092 -0.244 50 20 CBGD CCn1cnnc1CNC(=O)c1cc(B(O)O)ccc1F 584928289 CKQYWMBDLFDDAC-UHFFFAOYSA-N 292.079 -0.953 50 20 CBGD CN1CCC[C@H](CNC(=O)c2cccc(B(O)O)c2)C1 584944833 SKCHOXWOMNYLBJ-LLVKDONJSA-N 276.145 -0.562 50 20 CBGD CC[C@@H](NC(=O)c1cccc(B(O)O)c1)c1n[nH]c(C)n1 584953213 SGORVYPXXJFGRL-LLVKDONJSA-N 288.116 -0.326 50 20 CBGD CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1cccc(B(O)O)c1 584968108 HRQZZXNUQKJDNJ-NWDGAFQWSA-N 290.128 -0.989 50 20 CBGD C[C@@H](c1cnn(C)c1)N(C)C(=O)c1ccc(B(O)O)cc1 584971411 RRTIRGRBXGFBDH-JTQLQIEISA-N 287.128 -0.067 50 20 CBGD C[C@@H]1CN(C2CC2)C[C@@H]1NCc1ccccc1B(O)O 585028699 ONFCLWGTCHUVHK-ABAIWWIYSA-N 274.173 -0.061 50 20 CBGD C[C@](O)(CNCc1ccc(B(O)O)cc1)C(F)(F)F 585032450 UZWVNIPEKMPEOS-JTQLQIEISA-N 277.051 -0.231 50 20 CBGD COC[C@H](NCc1ccccc1B(O)O)[C@@H]1CCCO1 585039132 OTRONWMVRLNLMG-KBPBESRZSA-N 279.145 -0.350 50 20 CBGD CCCN(CCC)S(=O)(=O)N1CC[C@H](B(O)O)C1 585057296 BQYGMSCXOHHQEW-JTQLQIEISA-N 278.183 -0.098 50 20 CBGD O=C(NCB(O)O)c1n[nH]c2ccc(Cl)cc12 585073160 VLANVJPSZOJQCI-UHFFFAOYSA-N 253.454 -0.042 50 20 CBGD COCCCNC(=O)NNC(=O)c1c(C)nn(C)c1OC 732755876 IANPULJQLAYJLM-UHFFFAOYSA-N 299.331 -0.282 50 20 CBGD N=C1NC(=O)[C@@H](CC(=O)NNC(=O)C2CCCC2)S1 742532572 FWMSFLVQMLFMFF-SSDOTTSWSA-N 284.341 -0.120 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)CCCC(N)=O)n1 746347328 UPEFBIDNJCAOAQ-UHFFFAOYSA-N 281.316 -0.697 50 20 CBGD O=C(CO)NNC(=O)CCCn1c(=O)oc2ccccc21 753445661 SAZWXXMZWHBNTM-UHFFFAOYSA-N 293.279 -0.486 50 20 CBGD CCn1nccc1C=NNC(=O)[C@H](C)NS(C)(=O)=O 753701321 UIGSPUZIDMJKJQ-QMMMGPOBSA-N 287.345 -0.709 50 20 CBGD CCOCC(=O)NNC(=O)Nc1cccn(C)c1=O 756685098 NBGQRMAEAGDDRU-UHFFFAOYSA-N 268.273 -0.426 50 20 CBGD Cn1[nH]cnc1=NC(=O)NNC(=O)c1ccccc1O 757759982 DRANHIDAACXXED-UHFFFAOYSA-N 276.256 -0.591 50 20 CBGD COCC1(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 778687443 FJLDDWZUALHHMH-UHFFFAOYSA-N 295.295 -0.417 50 20 CBGD CCOc1cnc(C(=O)NNC(=O)c2c[nH]nc2C)cn1 778756563 VHFHNOHRKNAMDF-UHFFFAOYSA-N 290.283 -0.018 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cccc(O)c1O 779815988 FKEQPABMEHBWGZ-UHFFFAOYSA-N 267.241 -0.096 50 20 CBGD CC(C)C(=O)NNC(=O)c1cnc2c(c1)nnn2C 781070073 FEKWQTSGUBQQGS-UHFFFAOYSA-N 262.273 -0.220 50 20 CBGD O=C(CNC(=O)C1CC1)NNC(=O)N=c1cc[nH]cc1 802025435 GODHRESWQREZAG-UHFFFAOYSA-N 277.284 -0.818 50 20 CBGD N#Cc1cc(O)cc(C(=O)NNc2ccc(C(N)=O)nn2)c1 809715490 JDRIYZVKZWGOPF-UHFFFAOYSA-N 298.262 -0.090 50 20 CBGD CO[C@H]1CCC[C@H](C(=O)NNC(=O)C(=O)NC(C)C)C1 814379679 VGVPRVKJBUJUKS-UWVGGRQHSA-N 285.344 -0.136 50 20 CBGD C=CCC(F)(F)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 814802243 XYNPAXWEMGFAPV-ZETCQYMHSA-N 296.295 -0.220 50 20 CBGD CN1CC(=O)N(CCCC(=O)NNC(=O)CC2CC2)C1=O 819139956 BCQCCUJIHCWBHZ-UHFFFAOYSA-N 296.327 -0.392 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 823846102 BMAOEHLYHFGGMA-MRVPVSSYSA-N 297.277 -0.257 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccccc1-n1cnnn1 823977476 XUFSSWGZMQSVFR-VIFPVBQESA-N 276.300 -0.380 50 20 CBGD CCOC(=O)[C@H](CC(=O)NNC(=O)NC(C)C)C(C)=O 824404601 UBHIRMHASIOMPP-SECBINFHSA-N 287.316 -0.116 50 20 CBGD O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1COCCO1 826447995 DGGNTIRHKJZXBT-JTQLQIEISA-N 290.283 -0.275 50 20 CBGD COCCN(C)NC(=O)[C@]12CCC(=O)N1CCS2 837620840 CBTGAMVNWRCWSE-LLVKDONJSA-N 273.358 -0.339 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1nccn2ccnc12 843972924 WJFOKZRHJJCHKR-DTWKUNHWSA-N 289.295 -0.085 50 20 CBGD C=CC(=O)NCCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843979468 OHEXFUCIWHOSBC-RKDXNWHRSA-N 269.301 -0.749 50 20 CBGD CC(C)[C@H](N)C(=O)NCC(=O)NNC(=O)c1ccccc1 844204412 MWXYWKSMMDWBOC-LBPRGKRZSA-N 292.339 -0.453 50 20 CBGD CCC(=O)N1CC[C@@H](C(=O)NN(C)CCOC)C1 848377808 CGVUVTUWZHJOQY-SNVBAGLBSA-N 257.334 -0.146 50 20 CBGD CC(Cn1cncn1)=NNC(=O)C(=O)NC(C)C 853282486 GMCOPQPYKFLMCQ-UHFFFAOYSA-N 252.278 -0.705 50 20 CBGD O=C(NNc1ccc(Cl)cn1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 856091640 RWCJEFAZHYZVJQ-FXPVBKGRSA-N 299.714 -0.409 50 20 CBGD COc1cccc(C=NNC(=O)[C@@H]2CCC(=O)N2)n1 863152914 ITAIMKGDQSQRSN-VIFPVBQESA-N 262.269 -0.181 50 20 CBGD O=C(NCCCCCCO)c1cc(B(O)O)ccc1F 863877812 GTSYEDJJTSAHED-UHFFFAOYSA-N 283.108 -0.212 50 20 CBGD C[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CCN1C 866097194 ITCXFGCCGZMFSL-VIFPVBQESA-N 280.108 -0.718 50 20 CBGD CNC(=O)NN=Cc1cn(C[C@@H]2CCCO2)nn1 872344459 GGDXEVWXAIEXLG-VIFPVBQESA-N 252.278 -0.280 50 20 CBGD C[C@H](O)CN(C)NC(=O)CN1Cc2ccccc2C1=O 910165204 HRUVYTKTCKIGHK-JTQLQIEISA-N 277.324 -0.014 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCCN1C(C)C 929443984 BERHALNCUNANLO-SNVBAGLBSA-N 284.360 -0.469 50 20 CBGD CC(C)S(=O)(=O)CC(=O)NNC(=O)N(C)C 1115911976 WZXJFXHWBHSOKY-UHFFFAOYSA-N 251.308 -0.888 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCOC2(CCCC2)C1 1116306783 IYIYVSTWQUEHFA-SECBINFHSA-N 299.327 -0.018 50 20 CBGD O=C(NNC(=O)c1ocnc1C1CC1)C(=O)N1CCCC1 1117665943 NSDJTTCLALKKHC-UHFFFAOYSA-N 292.295 -0.065 50 20 CBGD Cn1nnc2cc(C(=O)NNc3nc[nH]n3)ccc21 1117760118 NTRBPGNISMSJCT-UHFFFAOYSA-N 258.245 -0.157 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)C1(F)CCOCC1 1118923536 ZSRDBRKJFAHFDV-UHFFFAOYSA-N 270.264 -0.382 50 20 CBGD O=C(NNC(=O)[C@@H]1CCNC1=O)c1ccc(Cl)cc1O 1261764942 SHGKZJUXZKBCOZ-MRVPVSSYSA-N 297.698 -0.057 50 20 CBGD CC[C@@H](F)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1262579690 WZCINFMGGYOZDT-RNFRBKRXSA-N 266.294 -0.683 50 20 CBGD CN1CCCC[C@@H]1CNC(=O)c1cccc(B(O)O)c1 1262652891 SXCXDIDTBCOZDH-CYBMUJFWSA-N 276.145 -0.420 50 20 CBGD N#Cc1ccc(C(=O)NNS(=O)(=O)c2cnc[nH]2)cc1 1318659173 BKYRPQAHZSSGDB-UHFFFAOYSA-N 291.292 -0.095 50 20 CBGD CCC1(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1318935975 RLRREZYIBYHCMO-MRVPVSSYSA-N 289.357 -0.306 50 20 CBGD Cc1oc(C(=O)NNC(=O)N(C)C)cc1S(N)(=O)=O 1319127056 NJDRMKNUCZVBBX-UHFFFAOYSA-N 290.301 -0.849 50 20 CBGD O=C(NNC(=O)c1cc2n(n1)CCCO2)NC1CC1 1320894512 NGIULDXFYAPTRF-UHFFFAOYSA-N 265.273 -0.228 50 20 CBGD O=C(CSCCN1CCOCC1)NNC(=O)C1CC1 1323116252 YYFQDRVNFPNOTN-UHFFFAOYSA-N 287.385 -0.391 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccnn1-c1ccccc1 1325507439 YVWWJHJMUMYKJV-UHFFFAOYSA-N 287.279 -0.022 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@]1(F)CCOC1 1326708018 GZFYCMNUIQPNIN-LBPRGKRZSA-N 299.258 -0.715 50 20 CBGD CC[C@@H]1C[C@@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 1329079228 VYEHGFAMKZQKJO-AEJSXWLSSA-N 283.328 -0.382 50 20 CBGD C[C@H](NC(=O)NNC(=O)C1CCCC1)c1nnnn1C 1343077731 XZFFYDYSHAMTER-ZETCQYMHSA-N 281.320 -0.208 50 20 CBGD O=C(O)CC1(C(=O)NNC(=O)c2ncon2)CCC1 1574671307 FRBDCPYCILBOFQ-UHFFFAOYSA-N 268.229 -0.524 50 20 CBGD CCN(CCO)NC(=O)c1c[nH]nc1[C@@H]1CCNC1 1577725706 KYJIBNISDQZMAJ-SECBINFHSA-N 267.333 -0.554 50 20 CBGD C/C(C#N)=C/Cn1c(=O)c(-c2nn[nH]n2)c(C)n(C)c1=O 1588924379 LXRCJJROXOWAIL-DAXSKMNVSA-N 287.283 -0.495 50 20 CBGD CCOC(=O)CC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1590759264 AMCYURSWCOEGML-UHFFFAOYSA-N 291.271 -0.342 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)COCC(=O)O 1591703101 DHNWJWGHUXZLOQ-UHFFFAOYSA-N 292.288 -0.976 50 20 CBGD CCOC[C@@H](C(=O)O)N(C)CC(=O)NNC(=O)C(C)C 1596877029 HLCTVUBBUIPHQS-VIFPVBQESA-N 289.332 -0.789 50 20 CBGD NC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1 1606426460 BUZMCNXUZPTCIL-BDAKNGLRSA-N 287.283 -0.569 50 20 CBGD Cn1ncc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1N 1609482369 YFTQYFNNRJRNBV-UHFFFAOYSA-N 299.298 -0.061 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cccc(C(=O)O)c1 48961972 KRUYZWQBGVCOOS-UHFFFAOYSA-N 273.270 -0.493 50 20 CBGD CN(C)C(=O)CCNS(=O)(=O)CBr 127129018 FZOAZERGOVIATI-UHFFFAOYSA-N 273.152 -0.264 50 20 CBGD CC(=O)N1CCC[C@H]1C(=O)NNC(=O)C1CCC1 264672711 HBVCPJURNMXPSU-JTQLQIEISA-N 253.302 -0.055 50 20 CBGD Cc1ccc(NNC(=O)N[C@H]2CC(=O)N(C)C2)nn1 267467257 BGAMKNQNRSAIEQ-QMMMGPOBSA-N 264.289 -0.358 50 20 CBGD CCOC(=O)C(C)(C)C(=O)NNC(=O)C(=O)N1CCCC1 270582080 ALACYIXUONRZLI-UHFFFAOYSA-N 299.327 -0.655 50 20 CBGD NC(=O)c1ccc(NNC(=O)C2SCCS2)nn1 270828828 HESLIJCZUUQZQR-UHFFFAOYSA-N 285.354 -0.175 50 20 CBGD Cc1cccnc1NNC(=O)CN1CCCS1(=O)=O 276678871 FDWAXHQRFZUQAW-UHFFFAOYSA-N 284.341 -0.131 50 20 CBGD C=CCNC(=S)NNC(=O)CCn1cccn1 281339404 URAFUVIYECKJPW-UHFFFAOYSA-N 253.331 -0.046 50 20 CBGD COC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)NC1CC1 285076750 LSPSUZCDIABPPN-HTQZYQBOSA-N 255.274 -0.322 50 20 CBGD COC(=O)NNS(=O)(=O)c1ccc(OC)nc1 285258720 XFSPYPOYFOUMNC-UHFFFAOYSA-N 261.259 -0.361 50 20 CBGD COCCN(C)NC(=O)c1ccccc1-n1cnnn1 288403000 GDTSJYGYDZIUOE-UHFFFAOYSA-N 276.300 -0.115 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cncn2C)O1 294020483 WQGNPYVBMKCZPI-CBAPKCEASA-N 252.274 -0.251 50 20 CBGD COCCN(C)NC(=O)c1cc(S(N)(=O)=O)c(C)o1 294309505 HZVPNFNWQQTAAO-UHFFFAOYSA-N 291.329 -0.542 50 20 CBGD CC(C)(C)C(=O)NCC(=O)NNC(=O)N1CCOCC1 299404442 WXASNKUHHVJCKP-UHFFFAOYSA-N 286.332 -0.778 50 20 CBGD CCS(=O)(=O)NCCNS(=O)(=O)CCCCl 390348902 LLSPLZDLOWLPCM-UHFFFAOYSA-N 292.810 -0.526 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@H]1CCCN(O)C1=O 491081576 HBQBLYICSWDGKO-FUOZMLNRSA-N 253.258 -0.073 50 20 CBGD CC(C)(C)N1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584934099 PBLPDSFJKMAQEP-UHFFFAOYSA-N 290.172 -0.077 50 20 CBGD COC[C@@H](NC(=O)c1cccc(B(O)O)c1)C(C)C 584949668 GNFBHRFIRJWLPX-GFCCVEGCSA-N 265.118 -0.233 50 20 CBGD CN(C(=O)c1ccc(B(O)O)cc1)C1CCC(CO)CC1 584957349 FRIKTEDPROFBBZ-UHFFFAOYSA-N 291.156 -0.011 50 20 CBGD C[S@@](=O)C1(CNC(=O)c2cccc(B(O)O)c2)CC1 584986689 KTDXROUQCOEINW-LJQANCHMSA-N 281.142 -0.993 50 20 CBGD C[C@@H]1COCC[C@@H]1CNC(=O)c1ccc(B(O)O)c(F)c1 584989716 TYLLTVAPEVUZKJ-MWLCHTKSSA-N 295.119 -0.092 50 20 CBGD CC(C)n1cc(CNC(=O)c2cccc(B(O)O)c2)nn1 584992013 IZBVWDVCCGGYBZ-UHFFFAOYSA-N 288.116 -0.531 50 20 CBGD OB(O)c1ccc(CNC[C@@H]2CCCO2)c(F)c1 585013996 FOMPLMALLNYASZ-NSHDSACASA-N 253.082 -0.226 50 20 CBGD CCCN1CC[C@H](CNCc2ccc(B(O)O)o2)C1 585018720 PZGXEJPNJHTIJK-LLVKDONJSA-N 266.150 -0.219 50 20 CBGD C[C@H](CN1CCCC1=O)NCc1ccc(B(O)O)cc1 585018764 RLCQDXDJDUCIQX-LLVKDONJSA-N 276.145 -0.533 50 20 CBGD OB(O)c1ccc(CNC[C@H](O)C(F)(F)F)c(F)c1 585021764 NQAPYOVBTJAXSJ-VIFPVBQESA-N 281.014 -0.482 50 20 CBGD CC(C)C(=O)NCCCNCc1ccc(B(O)O)o1 585031553 HGHJQQCYWJPXQJ-UHFFFAOYSA-N 268.122 -0.789 50 20 CBGD COc1ccc(C)cc1-n1ccc(C(=O)NCB(O)O)n1 585061710 FJGKIFOUYSDILK-UHFFFAOYSA-N 289.100 -0.069 50 20 CBGD O=C1CC(C(=O)NNC(=O)COc2ccccc2F)=NN1 732257465 PLZMYTDLHBHUAL-UHFFFAOYSA-N 294.242 -0.772 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C(C)(C)NC(=O)O 738827683 MSGRLCISKWBCSU-UHFFFAOYSA-N 269.261 -0.475 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(C#N)s1 749529877 DKORPQRIFYEXOB-UHFFFAOYSA-N 252.299 -0.058 50 20 CBGD O=C(O)c1ccc(C=NNC(=O)[C@@H]2COCCO2)[nH]1 749815398 YIUBNAZEPINBRP-VIFPVBQESA-N 267.241 -0.422 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)Cc1cn[nH]c1 754660633 PYLMFIGRSNUUHB-UHFFFAOYSA-N 251.290 -0.601 50 20 CBGD COC[C@@H](C)CC(=O)NNC(=O)Cc1cc[nH]n1 755290697 SYNVNNGBKQCHOV-QMMMGPOBSA-N 254.290 -0.228 50 20 CBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccoc2)co1 757641534 HDXDGNDECYRIDS-UHFFFAOYSA-N 299.264 -0.405 50 20 CBGD CCOCC(=O)NNC(=O)Nc1cc(OC)ncn1 757759378 YQSYRYJBBDBOAZ-UHFFFAOYSA-N 269.261 -0.326 50 20 CBGD Cc1ccc(C(=O)NNC(=O)N=c2nc[nH]n2C)c(O)c1 757760786 IPZWIQVXGMWHLG-UHFFFAOYSA-N 290.283 -0.282 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H]1CN2CCCN1CC2 763480241 ZNXLGDIOLDPOLH-LLVKDONJSA-N 268.361 -0.430 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cnc(C)nc1N 772190137 KLVIZKVGULPTBD-LURJTMIESA-N 295.299 -0.530 50 20 CBGD COC(=O)CNC(=O)NN=C1COc2cc(O)ccc21 779823136 KOKPCAOJPXJBSC-UHFFFAOYSA-N 279.252 -0.039 50 20 CBGD COc1cccc(NNC(=O)c2ccc(=O)n(C)n2)n1 780768931 GZNIYQHEWNZCMW-UHFFFAOYSA-N 275.268 -0.059 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCC[C@H](C(N)=O)C2)n[nH]1 787184109 NJTNJSHSVMSBGK-IUCAKERBSA-N 293.327 -0.229 50 20 CBGD CCCC[C@H](C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 800690885 SGFDGYYLCOFNTI-DTWKUNHWSA-N 293.389 -0.102 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)CCCC(N)=O 807371942 VEHRAQIFSDEUIS-UHFFFAOYSA-N 289.332 -0.421 50 20 CBGD CC(C)(C)n1cnc(C(=O)NNC(=O)N2CCOCC2)n1 812536077 PKNSKSJYZROLBL-UHFFFAOYSA-N 296.331 -0.280 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F 823828948 KMXMGXKGVGBIOL-JGVFFNPUSA-N 297.277 -0.354 50 20 CBGD COCCn1cc(C(=O)NN(C)[C@@H](C)CO)ccc1=O 823970361 FWTHREOKFJFXJS-JTQLQIEISA-N 283.328 -0.548 50 20 CBGD O=C(NN=c1cc[nH]cc1)c1ccc(-c2nn[nH]n2)cn1 826449579 ZOEMZVGPFFKHMI-UHFFFAOYSA-N 282.267 -0.165 50 20 CBGD O=S(=O)(CCl)N[C@@H]1CCCN(CCCO)C1 831810536 QOXKMWHNBCPNKN-SECBINFHSA-N 270.782 -0.051 50 20 CBGD O=C(O)NNS(=O)(=O)c1cc(F)cc(C(=O)O)c1 833280324 HCZNIRIRAMTRHD-UHFFFAOYSA-N 278.217 -0.015 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(=O)n(C)c1 843641275 BHEQEGWLQGZAFT-WPRPVWTQSA-N 279.296 -0.429 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843647305 YLSTUWWWKBGGJV-APPZFPTMSA-N 257.290 -0.963 50 20 CBGD O=S(=O)(CCl)NC[C@@H](CO)[C@@H]1CCOC1 849391688 SWODVALACGGSSM-SFYZADRCSA-N 257.739 -0.253 50 20 CBGD CON(C)CCNS(=O)(=O)CBr 849408344 GFVFZECPIPMKEP-UHFFFAOYSA-N 261.141 -0.249 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)Cc1cn(C)nn1 852553091 LTRCJZASPGQNOR-JTQLQIEISA-N 296.375 -0.171 50 20 CBGD Nc1ncccc1C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 853388835 QAKXTMNXUNVWSS-NEPJUHHUSA-N 289.339 -0.023 50 20 CBGD CC1=NO[C@@H](C(=O)NNC(=O)c2cccn2C)C1 854288203 WWGDHFRKEDRSQH-SECBINFHSA-N 250.258 -0.049 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)c1cccc(F)n1 856422954 IOKMXBJRLLTLDR-UHFFFAOYSA-N 268.248 -0.492 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2C=CCC2)N1 858608117 IVZARJBWWYRFIB-JGVFFNPUSA-N 252.274 -0.686 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2ccc(F)nc2)N1 860790822 FLUSSEYTWLSWDQ-SSDOTTSWSA-N 281.247 -0.348 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 862095839 QJCUORSTRZGKJK-KATARQTJSA-N 283.328 -0.527 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cscn2)N1 862454290 FAEMWTVATHOQKR-RXMQYKEDSA-N 254.271 -0.817 50 20 CBGD CCOC(=O)[C@@H](CC)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862461593 QGJLVUVPXFDTCN-JGVFFNPUSA-N 285.300 -0.998 50 20 CBGD Cc1cnc(COCC(=O)NNC(=O)c2cn[nH]c2)o1 862469695 ALXPFHFZCBATIA-UHFFFAOYSA-N 279.256 -0.316 50 20 CBGD COC(=O)[C@@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 863869995 WLYVEHWUHNEBLV-NSHDSACASA-N 277.085 -0.856 50 20 CBGD CC(C)(CN1CCOCC1)C(=O)NNC(=O)NC1CC1 874193584 BVDCZEFUEKCJCM-UHFFFAOYSA-N 284.360 -0.162 50 20 CBGD C[C@@H](Cc1cnccn1)NCc1cccc(B(O)O)c1 876975577 FXNBKWHTJLRELZ-NSHDSACASA-N 271.129 -0.123 50 20 CBGD COCCN1C[C@@H](C(=O)NNC(=O)C(C)(C)C)CC1=O 920451482 GUZNMBQPNYOOQX-VIFPVBQESA-N 285.344 -0.325 50 20 CBGD CCCNC(=O)NNC(=O)c1c[nH]c(C(N)=O)c1 1115900135 SLGJVPFRFXOPFC-UHFFFAOYSA-N 253.262 -0.532 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)c1cc2n(n1)CCO2 1117660567 ABPQDOYWCSIYFA-UHFFFAOYSA-N 287.279 -0.326 50 20 CBGD Cc1nnc(NNC(=O)[C@@H](C)Cc2cnc[nH]2)nc1O 1118968118 PFUMQZNTDPNVCN-LURJTMIESA-N 277.288 -0.069 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCc2n[nH]cc2C1 1319732236 DIZHYOMEUDBNGK-QMMMGPOBSA-N 293.327 -0.813 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1[C@H](C)[C@H](OC)C1(C)C 1320639114 BBHUFKDSPXOIBF-RNJXMRFFSA-N 287.316 -0.451 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCc1ccnn1C 1325977595 ZCNQZWIUJMIWAQ-GXSJLCMTSA-N 295.343 -0.282 50 20 CBGD Nc1cnnc(NNC(=O)[C@@H]2CSCN2)c1Cl 1326339028 OEDCRASVFFADIL-YFKPBYRVSA-N 274.737 -0.182 50 20 CBGD O=C(NCCN1CCCC1=O)NNC(=O)c1ccc[nH]1 1326506815 ZRUYBRPHYUUMOZ-UHFFFAOYSA-N 279.300 -0.419 50 20 CBGD COC(=O)C(=O)NN=Cc1c(C2CC2)cnn1C 1327648212 KFAYEJCEOSLIJZ-UHFFFAOYSA-N 250.258 -0.079 50 20 CBGD O=C(Cc1ccoc1)NNC(=O)[C@H]1CCC(=O)N1 1329077454 DJBZJJFSJVQMDK-MRVPVSSYSA-N 251.242 -0.752 50 20 CBGD O=C(CN1CCOC1=O)NNC(=S)Nc1ccccn1 1330311859 DXABMOCDLNBKKN-UHFFFAOYSA-N 295.324 -0.149 50 20 CBGD C=CCNC(=S)NNC(=O)c1ccn(COC)n1 1330704231 NLGHUSMQCBVCDO-UHFFFAOYSA-N 269.330 -0.218 50 20 CBGD N#Cc1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cn1 1331897700 YWBFUUGWLIRSPV-QMMMGPOBSA-N 281.102 -0.809 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cccc(N2CCC2=O)c1 1344117090 SHYWBYSAJMHPGF-UHFFFAOYSA-N 290.279 -0.471 50 20 CBGD Cc1cc(CCC(=O)NNC(=O)[C@H]2CCCNC2)n[nH]1 1579589462 HTMXMYRUAVOCDL-JTQLQIEISA-N 279.344 -0.202 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@H]2NCC23CCCC3)n[nH]1 1579590353 YEYUENNOEOICQP-GFCCVEGCSA-N 291.355 -0.060 50 20 CBGD O=C(NNC(=O)[C@H]1CCCC12OCCO2)[C@@H]1CCN1 1580733000 LSCXGHZKSYMINO-BDAKNGLRSA-N 269.301 -0.961 50 20 CBGD Cn1ncc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)n1 1592599574 HNTNZWWCIOYIKK-UHFFFAOYSA-N 285.271 -0.248 50 20 CBGD Cc1nnc(NNC(=O)[C@@H](C(=O)O)C(C)C)nc1O 1594492810 LVIAMISOFFFWJC-LURJTMIESA-N 269.261 -0.314 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCCC(=O)O 1594712279 FARLOIHWSLROTB-SSDOTTSWSA-N 274.273 -0.270 50 20 CBGD CCOC1CC2(C1)C[C@H]2NC(=O)NNC(=O)C(=O)O 1596851056 UDFIWTZCYYJIOO-UXEXPGAESA-N 271.273 -0.641 50 20 CBGD CSc1nnc(CNC(=O)NNC(=O)C(=O)O)s1 1599828677 AEVVOWFLNUXEMT-UHFFFAOYSA-N 291.314 -0.825 50 20 CBGD CC(C)(C(N)=O)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 1609073322 KLMOYRCSFYGLCX-UHFFFAOYSA-N 289.299 -0.179 50 20 CBGD CCOC(=O)NNS(=O)(=O)CC(C)(C)C(=O)O 1610019258 NWGKBOUURBGQNL-UHFFFAOYSA-N 268.291 -0.322 50 20 CBGD CO[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)C(=O)O 1610235639 PLWFGORUAAPSSQ-RNFRBKRXSA-N 259.262 -0.784 50 20 CBGD Cn1ncc(C(=O)O)c1C=NNC(=O)c1cc[nH]n1 1776091944 OZYKCMIQKWSGFF-UHFFFAOYSA-N 262.229 -0.395 50 20 CBGD O=C(CN1CCOCC1)NNC(=O)c1ccccn1 270796110 YMDQCFWBIBVCRJ-UHFFFAOYSA-N 264.285 -0.825 50 20 CBGD CN(NC(=O)CN1C(=O)COc2ccccc21)C(N)=O 271420505 YPWRJSYDBIQYPI-UHFFFAOYSA-N 278.268 -0.546 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccccc1-n1cnnn1 272699576 TTWZDBGKGUAJSV-UHFFFAOYSA-N 289.299 -0.032 50 20 CBGD O=C(CN1CCOCC1)NNc1nc2ccccn2n1 276892305 YDOVKMBNHTYDIQ-UHFFFAOYSA-N 276.300 -0.495 50 20 CBGD C[C@@H](CN(C)C)NC(=O)NNC(=O)Cc1ccncc1 287974151 JETPPCPASCYWRK-JTQLQIEISA-N 279.344 -0.095 50 20 CBGD CC(C)[C@H](O)C(=O)NNC(=O)NCC(F)(F)F 291800770 XXBSVPVFUMJTDV-YFKPBYRVSA-N 257.212 -0.104 50 20 CBGD CCCCCOCC(=O)NNC(=O)C(=O)NC1CC1 299382670 NJMKIRANILAKRE-UHFFFAOYSA-N 271.317 -0.381 50 20 CBGD CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)N2CCOCC2)C1 368540455 WDZBZYUJVDFFAY-CYBMUJFWSA-N 298.343 -0.682 50 20 CBGD O=C(NC[C@H]1CN2CCC[C@@H]2CO1)NNc1ncccn1 369047703 ONQZJCFTJNTQCT-MNOVXSKESA-N 292.343 -0.034 50 20 CBGD O=C(NC[C@H]1CCCCO1)c1ccc(B(O)O)c(F)c1 584935217 CCMLGQYKBIXPSZ-SNVBAGLBSA-N 281.092 -0.196 50 20 CBGD CC(C)(CCO)NC(=O)c1cc(B(O)O)ccc1F 584967268 HWNSRMAHJKQMGN-UHFFFAOYSA-N 269.081 -0.604 50 20 CBGD O=C(NC1(CO)CCCC1)c1cc(B(O)O)ccc1F 584967272 HXWIOIRIYMUEFB-UHFFFAOYSA-N 281.092 -0.460 50 20 CBGD Cc1n[nH]c(C)c1CCNC(=O)c1cccc(B(O)O)c1 584996641 NIYJCZIYQBJRAG-UHFFFAOYSA-N 287.128 -0.321 50 20 CBGD CN1CC[C@@H]2CN(C(=O)c3ccc(B(O)O)c(F)c3)C[C@@H]21 585000672 ZLJGJKWODYYNQZ-MFKMUULPSA-N 292.119 -0.718 50 20 CBGD O=C(NCC12CC(CO1)C2)c1ccc(B(O)O)c(F)c1 585010664 WGDKCIJZXRZHID-UHFFFAOYSA-N 279.076 -0.586 50 20 CBGD OB(O)c1ccccc1CNCCCN=c1cc[nH]cc1 585027294 ZFMAAJJBTDQEKH-UHFFFAOYSA-N 285.156 -0.225 50 20 CBGD OB(O)c1ccc(CNCc2cn3c(n2)CCCC3)o1 585032800 MJFKFLHVXUKODY-UHFFFAOYSA-N 275.117 -0.218 50 20 CBGD OB(O)c1cccc(CN[C@@H]2CCn3ccnc3C2)c1 585036513 LYHWSUMHURWQQZ-CYBMUJFWSA-N 271.129 -0.333 50 20 CBGD CCc1nnc(CNCc2ccc(B(O)O)o2)s1 585041629 RIPULOKISVXIMZ-UHFFFAOYSA-N 267.119 -0.337 50 20 CBGD C[C@](CO)(CCF)NCc1ccccc1B(O)O 585050126 RYSYBLKETJRLDM-GFCCVEGCSA-N 255.098 -0.433 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCN(C)C(=O)C1 732083147 VUIRUTFCHKCILR-MRVPVSSYSA-N 279.300 -0.652 50 20 CBGD O=C(Cc1cccnc1)NNS(=O)(=O)C[C@H]1CCCO1 735646781 SZEUNGWHYHFETL-LLVKDONJSA-N 299.352 -0.246 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](COC)C1 739919027 HRSDTWFJJFKCEV-NXEZZACHSA-N 257.334 -0.099 50 20 CBGD COCCN(CCC#N)CC(=O)NNC(=O)C1CC1 744405593 UFCRWRMSLACYMC-UHFFFAOYSA-N 268.317 -0.594 50 20 CBGD COc1ccccc1C(=O)NNC(=O)c1nc[nH]n1 746173380 NHFPOZXUKRCYBY-UHFFFAOYSA-N 261.241 -0.112 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C)C#N 746291275 GVJGTBUOEAKFQK-SSDOTTSWSA-N 254.290 -0.402 50 20 CBGD Cc1cc(C)c(C(=O)NNC(=O)C(=O)NC2CC2)o1 749334918 HUIRTKPOGVEQBR-UHFFFAOYSA-N 265.269 -0.064 50 20 CBGD CCCNC(=O)NNS(=O)(=O)CCOCCOC 754750452 QETHBZYLEKQSJJ-UHFFFAOYSA-N 283.350 -0.807 50 20 CBGD CN1CCCC[C@H]1C(=O)NNC(=O)Cc1cc[nH]n1 755285380 RLEIDHCZBULZMT-JTQLQIEISA-N 265.317 -0.416 50 20 CBGD CNc1nnc(CC(=O)NNC(=O)C(C)C)s1 759376068 GYPJACKWOUHMPQ-UHFFFAOYSA-N 257.319 -0.074 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1c(F)cc(F)cc1F 764420690 DVXIZLYAJLCGRP-UHFFFAOYSA-N 291.185 -0.818 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1cccc2cccnc12 764421578 NKRCZYZDJFIAKC-UHFFFAOYSA-N 288.263 -0.687 50 20 CBGD COC[C@H](C)C(C)=NNC(=O)[C@@H](C)NS(C)(=O)=O 777886264 VGORUWHTFZOLPZ-IONNQARKSA-N 279.362 -0.301 50 20 CBGD CCN(CC(=O)NNC(=O)C1CC1)C[C@H](O)C(F)(F)F 778204909 ZBTJXDVDRXDBCS-QMMMGPOBSA-N 297.277 -0.211 50 20 CBGD Cc1nonc1C(=O)NNC(=O)CNC(=O)OC(C)(C)C 778438412 WEWUKWMHXLUIBO-UHFFFAOYSA-N 299.287 -0.336 50 20 CBGD C[C@H]1CC[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1 780795118 WRYIMSMGJPGJNA-IONNQARKSA-N 268.317 -0.216 50 20 CBGD COC(=O)c1cccc(NNC(=O)Cn2cnnn2)c1 781038884 OQAJQJSJQFDOLR-UHFFFAOYSA-N 276.256 -0.397 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C1CCC(O)CC1 792195764 RYXBFGJDDLUDLH-UHFFFAOYSA-N 299.371 -0.010 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)NCC(F)(F)F)CCC1 798315743 PEYPZSSYPMSQAL-UHFFFAOYSA-N 282.222 -0.465 50 20 CBGD COC[C@]1(C(=O)NNc2nc(C)cc(OC)n2)CCNC1 817944148 YCHUNSOTMNWBPF-ZDUSSCGKSA-N 295.343 -0.137 50 20 CBGD CCN(CCO)NC(=O)CNC(=O)c1cccc(OC)c1 823833786 JDHBVYWUZLHYTH-UHFFFAOYSA-N 295.339 -0.230 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1c[nH]nc1-c1cnn(C)c1 823934067 AWZUWJQPFAKTNU-MRVPVSSYSA-N 278.316 -0.232 50 20 CBGD C[C@H](NC(=O)C(C)(C)C)C(=O)NN(C)[C@@H](C)CO 823977561 ZSNKBLSLICMARH-IUCAKERBSA-N 259.350 -0.119 50 20 CBGD O=C(CCOc1ccccc1)NNC(=O)[C@@H]1CCNC1=O 824702948 UUAJLRWHDDHWFS-LLVKDONJSA-N 291.307 -0.261 50 20 CBGD CCO[C@H]1C[C@H]1C(=O)NNC(=O)c1cccnn1 828830523 RBRJTFQRHOHQGU-APPZFPTMSA-N 250.258 -0.337 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H](CC(C)C)C(N)=O 839718001 QAEVTCYCEPZVHM-MRVPVSSYSA-N 258.322 -0.174 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1 843971300 BXEBVCIWIZBFGE-SFYZADRCSA-N 269.301 -0.915 50 20 CBGD Cc1onc(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1C#N 843980554 USOPCRNOXMHIRB-VXNVDRBHSA-N 292.295 -0.030 50 20 CBGD CCn1cc(CNC(=O)NNc2cccnn2)nn1 852538483 GMQVGWFUWNUEHG-UHFFFAOYSA-N 262.277 -0.086 50 20 CBGD Cn1cc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)nn1 853388656 LUWLKNWOSPLBGC-MNOVXSKESA-N 278.316 -0.872 50 20 CBGD Cc1cc(S(N)(=O)=O)oc1C(=O)NNC(=O)C(C)C 854214901 UJHSKDJUCSOCMC-UHFFFAOYSA-N 289.313 -0.348 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ncccc2F)CC1 854381972 WWOPOCIBHDDBEJ-UHFFFAOYSA-N 281.291 -0.178 50 20 CBGD O=CN1CCC[C@H]1C(=O)NNC(=O)CC(F)(F)F 854997723 RQPWMOZYXRYVCS-LURJTMIESA-N 267.207 -0.293 50 20 CBGD C[C@@H](NNC(=O)[C@@H]1CN(C)CCO1)C(F)(F)F 862311938 XDIGSWGGZXBLRI-RQJHMYQMSA-N 255.240 -0.111 50 20 CBGD CCOC(=O)c1cc(C=NNC(=O)[C@H]2CCC(=O)N2)[nH]n1 863151962 YZUIXXCFULNCKS-MRVPVSSYSA-N 293.283 -0.685 50 20 CBGD COC(=O)CC(=O)NNC(=O)Cc1ccccc1OC 908273681 CKNGWTLYOQNCJN-UHFFFAOYSA-N 280.280 -0.052 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@H](C)CN1CCOCC1 914851925 VSQPOCXERNTKCC-SNVBAGLBSA-N 272.349 -0.307 50 20 CBGD COCCCC(=O)NNC(=O)CN1CCCC1=O 920432539 BOMVIUZQSASGNW-UHFFFAOYSA-N 257.290 -0.817 50 20 CBGD COCCN1C[C@H](C(=O)NNC(=O)C(C)(C)C)CC1=O 920451479 GUZNMBQPNYOOQX-SECBINFHSA-N 285.344 -0.325 50 20 CBGD C[C@@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)n1cccc1 1116413641 DLUROHQVHPDLQV-UWVGGRQHSA-N 299.352 -0.369 50 20 CBGD C=CCNC(=S)NNC(=O)c1ccc(OC)nn1 1116909616 BFZUGZKFGMZOPV-UHFFFAOYSA-N 267.314 -0.220 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)nn1 1252850662 AADGTRRRBRYERO-ZXFLCMHBSA-N 277.284 -0.414 50 20 CBGD Cc1nn(C)c(-n2ccnc2C)c1C(=O)NN(C)C(N)=O 1322415449 FJNWTYGBIGJRHV-UHFFFAOYSA-N 291.315 -0.122 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCNC(=O)C1 1324108266 ZAPOBTHOZYIUDJ-SFYZADRCSA-N 285.300 -0.998 50 20 CBGD COC1(C(=O)NNC(=O)c2cnn(C)c2)CCOCC1 1327379331 QHQYLWBLPGIXEA-UHFFFAOYSA-N 282.300 -0.623 50 20 CBGD CC(C)(C=NNC(=O)c1cn[nH]c1)S(C)(=O)=O 1329196815 USXWHDJXTRZFAN-UHFFFAOYSA-N 258.303 -0.052 50 20 CBGD O=C(CCn1ccccc1=O)N1CC[C@H](B(O)O)C1 1329292104 HOHVGRXRAYGCBP-JTQLQIEISA-N 264.090 -0.686 50 20 CBGD O=C(NC1CC1)C1(C(=O)N2CC[C@H](B(O)O)C2)CC1 1331825327 AJZJCGSMFVNTDV-QMMMGPOBSA-N 266.106 -0.880 50 20 CBGD NC(=O)COc1ccccc1C(=O)N1CC[C@@H](B(O)O)C1 1331828386 XIXKXUDLSZUAON-SECBINFHSA-N 292.100 -0.760 50 20 CBGD CCn1nnc(C)c1C=NNC(=O)CS(C)(=O)=O 1335347759 WAAXXVIAMZWDBX-UHFFFAOYSA-N 273.318 -0.899 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1csnn1 1337965811 BEYHXHGLOAPSHS-UHFFFAOYSA-N 257.275 -0.775 50 20 CBGD CCNC(=O)NNC(=O)c1cc(-c2nn[nH]n2)ccc1F 1578238339 LLMXYJGULQRXSD-UHFFFAOYSA-N 293.262 -0.030 50 20 CBGD CCn1ncc(C(=O)NNC(=O)[C@@H]2CCN2)c1C 1578363728 VNOPZXQNDWLOOK-VIFPVBQESA-N 251.290 -0.666 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1NC2 1579057232 WLRVRCIXTDNVBT-GMTAPVOTSA-N 285.344 -0.815 50 20 CBGD NCCCC(=O)NNC(=O)Nc1ccn(CCF)n1 1580289012 IKAAPYYFIQBIIF-UHFFFAOYSA-N 272.284 -0.256 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CC[C@H]1C(=O)O 1588465405 IHHFBFFAJGFXBM-RNFRBKRXSA-N 257.315 -0.222 50 20 CBGD C[C@H]1CC[C@H](C(=O)O)CN1C(=O)c1ccc(B(O)O)cc1 1589302729 KJLMXMKZWHUDRG-ONGXEEELSA-N 291.112 -0.308 50 20 CBGD CC[C@@H](CNCc1ccccc1B(O)O)C(=O)O 1589552442 PQZXEPKOHKVGID-VIFPVBQESA-N 251.091 -0.433 50 20 CBGD COc1ccccc1C(=O)NNC(=O)COCC(=O)O 1594140202 DEOABZGUOZSRAF-UHFFFAOYSA-N 282.252 -0.443 50 20 CBGD CN1CCCC(C)(C)[C@@H]1CNC(=O)NNC(=O)C(=O)O 1606223452 PXTWKURKBGKRDG-QMMMGPOBSA-N 286.332 -0.478 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1ccnnc1 1606858088 JBPAISHUNUBLKN-UHFFFAOYSA-N 283.255 -0.191 50 20 CBGD CC(=O)NNS(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C 1609063969 QTKMUYCTGWRWGR-UHFFFAOYSA-N 296.312 -0.495 50 20 CBGD O=C(NNC(=O)[C@@H]1COCCO1)c1ccc2c(c1)OCO2 32661161 SVRDGCRITAOJGF-NSHDSACASA-N 294.263 -0.408 50 20 CBGD CNC(=O)NNC(=O)c1ccc(-n2cnnn2)c(C)c1 48950229 LOYVYJSYOBSHQW-UHFFFAOYSA-N 275.272 -0.455 50 20 CBGD CC(C)[C@H](C(=O)NNC(=O)c1cnn(C)c1)N(C)C 125684414 JDKNONLTTITTQB-SNVBAGLBSA-N 267.333 -0.233 50 20 CBGD Cn1cccc1C(=O)NNS(=O)(=O)C[C@@H]1CCCO1 171806337 VTRICVJKRMVRRU-VIFPVBQESA-N 287.341 -0.232 50 20 CBGD CNC(=O)[C@@H]1CN(C(=O)NNC(=O)C(C)(C)C)CCO1 272785444 OVNHBZJAYVVJJY-QMMMGPOBSA-N 286.332 -0.780 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCS1(=O)=O)c1ccccn1 273316060 YCJSSYLFROOJFA-JTQLQIEISA-N 297.336 -0.190 50 20 CBGD COC(=O)N(C)NC(=O)Cn1ccc([N+](=O)[O-])n1 286385680 OIXDCIFFLUKLCM-UHFFFAOYSA-N 257.206 -0.479 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cn1 292111959 JDFFULJZPPCXGY-JTQLQIEISA-N 293.279 -0.192 50 20 CBGD C#CCn1ccnc1C=NNC(=O)N1CCN(C)CC1 491734614 SGICIMQWWOYNQQ-UHFFFAOYSA-N 274.328 -0.193 50 20 CBGD COCCOCCN(C)C(=O)c1ccc(B(O)O)cc1 584991252 CSQRWSRIMVESAB-UHFFFAOYSA-N 281.117 -0.899 50 20 CBGD CN(C)C1(CNC(=O)c2ccc(B(O)O)c(F)c2)CC1 585001226 SZXPXVJFXTZBPD-UHFFFAOYSA-N 280.108 -0.671 50 20 CBGD CCN1CC[C@@H](CNCc2ccc(B(O)O)cc2)C1 585017266 RNKHNFUKBYGIQO-ZDUSSCGKSA-N 262.162 -0.202 50 20 CBGD OB(O)c1ccc(CNC[C@@H](O)COCC2CC2)c(F)c1 585019408 AJLQFESSJSKDGM-CYBMUJFWSA-N 297.135 -0.617 50 20 CBGD CC(C)CNC(=O)CNCc1cccc(B(O)O)c1 585021911 PVYHQHVKTICCDY-UHFFFAOYSA-N 264.134 -0.772 50 20 CBGD C[C@H]1CC[C@@H](C)N1CC(=O)N1CC[C@H](B(O)O)C1 585068615 CSUUTNQNLMKHNY-AXFHLTTASA-N 254.139 -0.066 50 20 CBGD CC(C)CC(=O)NNC(=S)NCCNS(C)(=O)=O 727068045 QKLWBOHEGKKAPJ-UHFFFAOYSA-N 296.418 -0.923 50 20 CBGD CN1CCN(CC(=O)NNC(=O)c2cccnc2)CC1 731866582 PGPIZTILGPRMNY-UHFFFAOYSA-N 277.328 -0.910 50 20 CBGD O=C(Cn1cnnn1)NNc1nc(-c2ccncc2)no1 732065326 AJJVTQWLRPGNGN-UHFFFAOYSA-N 287.243 -0.739 50 20 CBGD CNC(=O)[C@@H](C)CN(C)CC(=O)NNC(=O)C(C)(C)C 747967271 QWGUBAHQAVTWBH-VIFPVBQESA-N 286.376 -0.506 50 20 CBGD CCN(CC)C(=O)CCC(=O)NNc1nnc(C)c(O)n1 755682411 NWCYMSJGKCXRRZ-UHFFFAOYSA-N 296.331 -0.023 50 20 CBGD COC[C@@H](C)CC(=O)NNc1nccn(C)c1=O 755832235 MMDKUVONDCEMGS-QMMMGPOBSA-N 254.290 -0.104 50 20 CBGD CO[C@@H](C(=O)NNC(=O)C(=O)NC1CC1)C(C)C 771106462 MHJMETROWZGOJW-MRVPVSSYSA-N 257.290 -0.917 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1C[C@@]12CCOC2 772360184 UUFIMZUEYPDJFA-IGJMFERPSA-N 284.312 -0.098 50 20 CBGD CO[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)C(=O)NC1CC1 775457963 JXQRGTUKZCYXDG-PSASIEDQSA-N 298.343 -0.590 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNC(=O)N=c1cc[nH]cc1 802028019 GXOOSEJSQHLRAL-NSHDSACASA-N 293.327 -0.623 50 20 CBGD Cn1c(C(=O)NNC(=O)CO)cc2ccccc2c1=O 807195833 MBCFFRXFOZEBFD-UHFFFAOYSA-N 275.264 -0.708 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccc2c(c1)OCO2 811907788 OZCGZHJJGIHSMZ-UHFFFAOYSA-N 296.279 -0.161 50 20 CBGD CCN(CCO)NC(=O)[C@H]1COCCN1CC(F)(F)F 823884990 RGDCNPURZXIARW-SECBINFHSA-N 299.293 -0.405 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CCCn1ccccc1=O 823952980 WBJZCXWBZCHQGG-NSHDSACASA-N 267.329 -0.028 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 823977122 OWTBKURFMYDIJM-CSMHCCOUSA-N 297.277 -0.213 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@@H]1CCCc2nn[nH]c21 824404368 OWKSXASYWYUHLO-SSDOTTSWSA-N 266.305 -0.037 50 20 CBGD C#CCN(C)CCCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 826867233 JKVFOPFXJYSTHJ-NEPJUHHUSA-N 296.371 -0.303 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CC1OCCCO1 843657570 POTWMESRPGKNGR-IUCAKERBSA-N 272.301 -0.288 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C[C@H]1CCOC1 843661400 ZDQNPQPELKENLM-OPRDCNLKSA-N 256.302 -0.015 50 20 CBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)C1CCCC1 847335912 FZCRKJVVKSWDQC-DTWKUNHWSA-N 253.302 -0.165 50 20 CBGD COC[C@@H](C)CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862455012 CIFBCQDNPULTSI-JGVFFNPUSA-N 257.290 -0.915 50 20 CBGD C[C@H]1CN(C2CC2)CC1=NNC(=O)[C@H]1CCC(=O)N1 863148959 NUMVZFIDSQFYQA-WCBMZHEXSA-N 264.329 -0.149 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@]2(CCOC2)C1 866503424 QQXHGSFCJXXRPW-AWEZNQCLSA-N 275.113 -0.381 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@H](C(F)F)C1 868097943 QJFYKFPPZAAVMM-JTQLQIEISA-N 285.055 -0.528 50 20 CBGD O=C(NNC(=O)[C@H]1CCCN1C1CC1)c1cccnn1 882057821 AOVFMSLYQNBBDT-LLVKDONJSA-N 275.312 -0.136 50 20 CBGD CCC[C@@H](OC)C(=O)NNC(=O)CN1CCCC1=O 913733042 TWNNICSDZIMENV-SECBINFHSA-N 271.317 -0.429 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CSCC(N)=O 915263052 MMCJDKSQWXGPEZ-UHFFFAOYSA-N 270.314 -0.995 50 20 CBGD CCc1cc(C(=O)NNC(=O)CN2CCCC2=O)n[nH]1 920435394 HHAKKKDFWMPIPC-UHFFFAOYSA-N 279.300 -0.645 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)NOC[C@H]1CCOC1 1116749134 AQSXXDHFGNOKGY-NSHDSACASA-N 294.311 -0.077 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H]1CN2CCN1C[C@@H]2C 1123572716 BQKMCIRWROYJBY-VHSXEESVSA-N 285.417 -0.722 50 20 CBGD Cc1ncoc1C(=O)NNC(=O)C(=O)N1CCCC1 1318952165 KFEAQSBHGARADR-UHFFFAOYSA-N 266.257 -0.634 50 20 CBGD CNC(=O)c1cccc(C(=O)NNC(=O)c2cccnc2)n1 1319699242 APOYEMQHWCZNFZ-UHFFFAOYSA-N 299.290 -0.089 50 20 CBGD Cc1c(NC(=O)C(=O)NNC(=O)CC2CC2)cnn1C 1320233330 YVNOZOFWLKAZNC-UHFFFAOYSA-N 279.300 -0.385 50 20 CBGD Cc1nc(C(=O)NNc2ccc(C(N)=O)nn2)co1 1321753353 JDBMMUFCXVKVKL-UHFFFAOYSA-N 262.229 -0.371 50 20 CBGD O=C(NNS(=O)(=O)C[C@H]1CCCOC1)c1cc[nH]n1 1327385514 CVCUYOOSXJDPHK-QMMMGPOBSA-N 288.329 -0.600 50 20 CBGD COCC(=O)NCCC(=O)NNC(=O)NCc1ccco1 1328075341 HLHLQBCNHMKWCG-UHFFFAOYSA-N 298.299 -0.737 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CCC(=O)[C@H](C)C1 1329608449 OBBIOLLQIXUTLU-NXEZZACHSA-N 286.328 -0.198 50 20 CBGD COC/C(C)=C/C(=O)NNC(=O)[C@H]1CCC(=O)N1 1330108233 NNOIAKCZSKEVFY-WVXIBAHESA-N 255.274 -0.995 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnn2ccncc12 1332467654 DCBIQRRSUZWLGJ-DTWKUNHWSA-N 289.295 -0.085 50 20 CBGD COc1ncncc1NC(=O)C(=O)NNC(=O)CC(C)C 1337969851 VSEBXYJTBBUWMV-UHFFFAOYSA-N 295.299 -0.383 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)c1n[nH]c2c1CCCC2 1342037405 SKFFMYNTUREYJA-UHFFFAOYSA-N 293.327 -0.424 50 20 CBGD CCSC1(CNC(=O)NNC(=O)C(=O)OC)CC1 1350603016 NZTLWDWFFBWQPB-UHFFFAOYSA-N 275.330 -0.225 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CCNCC1(C)C 1578100635 ZFWGYLWXAQUERR-VIFPVBQESA-N 272.349 -0.259 50 20 CBGD O=C(NNC(=O)C1(O)Cc2ccccc2C1)[C@H]1CCN1 1580733532 XIHHCMQDRJRKCN-LLVKDONJSA-N 275.308 -0.974 50 20 CBGD C[C@@](C#N)(CC(=O)O)C(=O)NNC(=O)[C@H]1CCCCO1 1588541862 NSZUDKCCBAICOC-PELKAZGASA-N 283.284 -0.293 50 20 CBGD C[C@@]1(C(=O)O)CCCN1C(=O)c1ccc(B(O)O)cc1 1589184721 BLGVJIKWSMCGJC-ZDUSSCGKSA-N 277.085 -0.554 50 20 CBGD CN(NC(=O)c1ccsc1-c1nn[nH]n1)C(N)=O 1591154526 VTLLAMDNMOAGBW-UHFFFAOYSA-N 267.274 -0.417 50 20 CBGD Cn1nc(C(=O)O)cc1C(=O)NNC(=O)CC1CC1 1594569539 YRVMOGMVHCVGIL-UHFFFAOYSA-N 266.257 -0.321 50 20 CBGD CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)N1CCN(C)CC1 1602970080 KRWVAAPMCNQUOS-SECBINFHSA-N 286.332 -0.669 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O 1604859413 KCYVCEBUXCKASP-ODXREFDESA-N 269.301 -0.805 50 20 CBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(O)O)[C@@H](F)Cl 1792899303 NLHHOQJSQVWPPT-ULAWRXDQSA-N 294.710 -0.530 50 20 CBGD O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1F)c1c[nH]nn1 104648111 SECVHUAALGAAFP-UHFFFAOYSA-N 294.202 -0.073 50 20 CBGD COC1(CC(=O)NNC(=O)C(=O)NC2CC2)CCC1 276723098 ZTMQBOUKYFZYTP-UHFFFAOYSA-N 269.301 -0.628 50 20 CBGD C[C@H](O)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 294574464 HCDQFMSZYOOFGN-QMMMGPOBSA-N 287.341 -0.239 50 20 CBGD CC(C)COC(=O)N1CCC(=NNC(=O)C(N)=O)CC1 495784595 GHGDRWKOOOFDCP-UHFFFAOYSA-N 284.316 -0.168 50 20 CBGD COCCN(CCOC)S(=O)(=O)NN(C)C(=O)OC 495947582 QTUACNCHWIPNKE-UHFFFAOYSA-N 299.349 -0.971 50 20 CBGD CCCN1C[C@@H](C(=O)Nc2cccc(B(O)O)c2)CC1=O 584912589 SHPARVCPOROKAI-JTQLQIEISA-N 290.128 -0.437 50 20 CBGD CC[C@H](NC(=O)c1cccc(B(O)O)c1)[C@@H](C)O 585000189 YDWUGBGARLDUPS-KCJUWKMLSA-N 251.091 -0.744 50 20 CBGD O=C(N[C@@H]1C[C@H](O)C12CCC2)c1ccc(B(O)O)c(F)c1 585005210 BIDYTQBGDLPJIQ-NEPJUHHUSA-N 293.103 -0.461 50 20 CBGD O=C1C[C@@H](NCc2ccc(B(O)O)o2)[C@@H]2CCCCN12 585041812 HDDGAWZWVHPYFN-MNOVXSKESA-N 278.117 -0.798 50 20 CBGD O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCB(O)O 585061452 XURYSOBEBKMDPS-UHFFFAOYSA-N 295.495 -0.878 50 20 CBGD CC(C)(NC(=O)O)C(=O)NNC(=O)Cc1ccccn1 736337475 QCRINUFWOINWHR-UHFFFAOYSA-N 280.284 -0.182 50 20 CBGD C[C@@H]1CN(CCNC(=O)NNc2cccnn2)CCO1 737044530 QALNAXNVRLEVAC-SNVBAGLBSA-N 280.332 -0.177 50 20 CBGD CCN1CCO[C@@H](C(=O)NNC(=O)C2CCC2)C1 746246121 JLSVQAZRJOJQDU-SNVBAGLBSA-N 255.318 -0.345 50 20 CBGD C[C@H]1CC(=NNC(=O)C(=O)NC2CC2)CN1C1CC1 753954656 HBRBHBGBPMVHAV-QMMMGPOBSA-N 264.329 -0.006 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H](O)c1cccnc1 764879388 CRMZJLZUUDDPKL-SNVBAGLBSA-N 282.300 -0.518 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(O)CCCC1 772006121 SZSFWHUITYJPDW-QMMMGPOBSA-N 272.301 -0.219 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 781063660 JPWHSJZYLAFFJQ-SNVBAGLBSA-N 299.375 -0.911 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@@H](C)C#N 781943262 BNKNCOSXSQEXDU-IUCAKERBSA-N 272.305 -0.472 50 20 CBGD C[C@H]1CN(C)C(=O)CN1C(=O)NNC(=O)C(C)(C)C 782575793 PPCOPNGXHNMMLU-QMMMGPOBSA-N 270.333 -0.064 50 20 CBGD C[C@@H]([C@H](C)C(=O)NNC(=O)C1CC1)S(C)(=O)=O 788262017 ACGVMISOKKQPGM-BQBZGAKWSA-N 262.331 -0.387 50 20 CBGD CCOC(=O)c1nn(C)cc1/C=C(\C#N)S(N)(=O)=O 792907511 VUHFAILKJRGKRM-XBXARRHUSA-N 284.297 -0.250 50 20 CBGD CO[C@H](C(=O)NNC(=O)C(C)(C)O)c1cnn(C)c1 798997722 LTXCINLSZSJEGX-QMMMGPOBSA-N 270.289 -0.974 50 20 CBGD CSC1(C=NNC(=O)[C@H](C)NS(C)(=O)=O)CC1 800813216 RXLPFSRUMVYIPV-ZETCQYMHSA-N 279.387 -0.078 50 20 CBGD COC(=O)N(C)NC(=O)C[C@H]1SC(=N)NC1=O 804125232 SQXSYIVJTZVSMT-SCSAIBSYSA-N 260.275 -0.728 50 20 CBGD CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1cnnn1C 814762666 HKOWKNAIBQIEEN-SNVBAGLBSA-N 294.359 -0.376 50 20 CBGD C[C@](C#N)(CC(=O)O)C(=O)NNC(=O)c1cccnc1 819848934 VMJRQXVCUPIBAP-GFCCVEGCSA-N 276.252 -0.153 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CCCCN1C(C)=O 823852333 DKESVFTUKCYCMT-LLVKDONJSA-N 257.334 -0.267 50 20 CBGD C[C@H](CO)N(C)NC(=O)CNC(=O)OCC(F)(F)F 823959317 FXXBELHKOCZLBB-ZCFIWIBFSA-N 287.238 -0.381 50 20 CBGD COC(=O)NCCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 826927261 CUEBTPULXNEKMK-HTQZYQBOSA-N 288.304 -0.902 50 20 CBGD C[C@H]1CN(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CCO1 827268442 OQGQELRXZACZHL-GUBZILKMSA-N 271.317 -0.127 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ncn(C)n1 831835170 LAVSWFFVRRJLQL-NKWVEPMBSA-N 268.277 -0.607 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1cccc(C#N)n1 831880818 IXPMLIJVRGBKCQ-UHFFFAOYSA-N 262.273 -0.332 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1 843657522 PMOIRRXVOXUKNM-OIBJUYFYSA-N 269.301 -0.963 50 20 CBGD COC/C(C)=C/C(=O)NNC(=O)C(=O)N1CCCC1 845353735 DUZNFPLBJLYQTE-VQHVLOKHSA-N 269.301 -0.651 50 20 CBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1nc2ccccn2n1 847891912 KPUHPNMIXWLINH-YUMQZZPRSA-N 274.284 -0.316 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=S)NCC1CCC1 855092031 NCWAZTUKSINRGF-UHFFFAOYSA-N 272.374 -0.240 50 20 CBGD COC[C@@H](C)CNC(=O)NNC(=O)c1cn[nH]c1 858190554 KQWFGRROAADCDV-ZETCQYMHSA-N 255.278 -0.364 50 20 CBGD C=CCCO[C@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862454235 SIGDRNWXPZWYKI-BDAKNGLRSA-N 269.301 -0.606 50 20 CBGD C[C@@H]1CC(=NNC(=O)[C@H]2CCC(=O)N2)CCN1C 863148607 GAXWGVDCANRIQS-PSASIEDQSA-N 252.318 -0.149 50 20 CBGD CCOCCNC(=S)NNC(=O)COCCOC 865244242 IMTGBFBOOMURPT-UHFFFAOYSA-N 279.362 -0.819 50 20 CBGD CCOC(C)(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 869385536 NNQIYODFJGRCQE-SSDOTTSWSA-N 257.290 -0.773 50 20 CBGD CCOC(=O)[C@H](CC1CC1)NCC(=O)NNC(=O)C1CC1 879983191 WAGPIRDRVUZWQY-NSHDSACASA-N 297.355 -0.135 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@@H]1CCNC1=O 899998842 WHGUMAYPUZJSME-ZCFIWIBFSA-N 258.347 -0.584 50 20 CBGD C[C@H](O)CN(C)NC(=O)C(=O)c1ccc(O)cc1 910149308 BZLMOGYILUFNSZ-QMMMGPOBSA-N 252.270 -0.081 50 20 CBGD COCCC[C@H](C)C(=O)NNC(=O)CN1CCCC1=O 913732364 SMQVJETYHIQDKT-JTQLQIEISA-N 285.344 -0.181 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1cccc[n+]1[O-] 916160417 KLBNEEPBDKTAIO-UHFFFAOYSA-N 260.253 -0.267 50 20 CBGD C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 926024640 BPFIVWIIAZMXMI-KYXWUPHJSA-N 271.317 -0.223 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H](C)CS(C)(=O)=O 1116188963 WAXUPPFXOQDTTP-SSDOTTSWSA-N 281.403 -0.429 50 20 CBGD CCCNC(=O)NNC(=O)c1ccc(C(N)=O)o1 1116341178 VDNWENMUHBPAGF-UHFFFAOYSA-N 254.246 -0.268 50 20 CBGD COC(=O)NNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 1116355620 GHOOXQALMOSHOL-SSDOTTSWSA-N 290.301 -0.606 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)[C@H]1CCCOC1 1118806342 VCZDTYDXXMURFF-LPEHRKFASA-N 298.343 -0.590 50 20 CBGD NC(=O)[C@@H](NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 1118952093 RCOLCGZATXBWEH-ONGXEEELSA-N 276.296 -0.888 50 20 CBGD O=C(CCc1cnccn1)NNC(=O)C(=O)N1CCCC1 1321202697 OVVYOFFZIGCPCR-UHFFFAOYSA-N 291.311 -0.821 50 20 CBGD C[C@H](C(=O)NNc1ncnc2[nH]cnc12)S(C)(=O)=O 1322023000 QUSOCQYPSKJNAM-RXMQYKEDSA-N 284.301 -0.771 50 20 CBGD O=C(NNC(=O)c1ccncc1Cl)C(=O)NC1CC1 1322212878 YQWJSZIHKHZFJM-UHFFFAOYSA-N 282.687 -0.225 50 20 CBGD O=C(NNC(=O)c1ccc(O)c(F)c1)C(=O)NC1CC1 1325601397 LHDCRKFYMYXDNF-UHFFFAOYSA-N 281.243 -0.429 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@]1(F)CCOC1 1326553832 WGDMVBIVZWYSON-HQJQHLMTSA-N 276.264 -0.396 50 20 CBGD CCc1nocc1C=NNC(=O)CS(C)(=O)=O 1329197242 ZGPPUCSWGZTVRG-UHFFFAOYSA-N 259.287 -0.268 50 20 CBGD COC(=O)N(C)NC(=O)NC[C@H]1CN(C)CCN1C 1336403001 UTBUZXMRNMSLOI-VIFPVBQESA-N 273.337 -0.855 50 20 CBGD Cc1nnc2n1C[C@H](C(=O)NNC(=O)NC1CC1)CC2 1340966636 HYWHAPHEFRNSLB-MRVPVSSYSA-N 278.316 -0.358 50 20 CBGD C[C@H]1c2nncn2CCN1CC(=O)NNC(=O)C1CC1 1343602902 PQIWPZDTGPRGSJ-QMMMGPOBSA-N 278.316 -0.788 50 20 CBGD O=C(NNc1ncncc1F)N[C@H]1CCS(=O)(=O)C1 1356383039 VDHSCHUBTULDSM-LURJTMIESA-N 289.292 -0.571 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)CCCCCN 1575007120 WSWDMMCAGWDUTB-UHFFFAOYSA-N 286.376 -0.185 50 20 CBGD Cc1cccnc1CCCNC(=O)NNC(=O)C(=O)O 1600591426 OZVVPQAGZXXBMW-UHFFFAOYSA-N 280.284 -0.262 50 20 CBGD O=C(NNC(=O)C1CCC1)N[C@H]1C[C@@H](C(=O)O)C1 1601553506 KHEFYMBTSWUXGV-OCAPTIKFSA-N 255.274 -0.020 50 20 CBGD C[C@@H](O)CN(C)NC(=O)C1(C(=O)O)CCSCC1 1603268719 NNQHJLAVHIKGBK-MRVPVSSYSA-N 276.358 -0.072 50 20 CBGD C[C@@H]1CC[C@H](C(=O)NNC(=O)NCCC(=O)O)O1 1605004161 CYLNPTNITUXAEH-RNFRBKRXSA-N 259.262 -0.641 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1608289219 UYRQFXKAGXOAQZ-UHNVWZDZSA-N 284.190 -0.282 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(NC(C)=O)cc1 48961994 ZVQBKNMVAHKHTA-UHFFFAOYSA-N 286.313 -0.233 50 20 CBGD O=C(CCn1cncn1)NNC(=O)NCC1CC1 49166642 QVRJMENKWPRWNJ-UHFFFAOYSA-N 252.278 -0.591 50 20 CBGD CC(C)NC(=O)NNC(=O)CNC(=O)C(C)(C)C 119553898 QGAMFPSLNZVVHM-UHFFFAOYSA-N 258.322 -0.113 50 20 CBGD CCCc1cc(C(=O)NNC(=O)CN(C)C)[nH]n1 174954889 WUCSLNORNFNILS-UHFFFAOYSA-N 253.306 -0.315 50 20 CBGD CCN1C[C@@H](C(=O)NNC(=O)c2ccncc2)CC1=O 193116642 ORNWQUSCXYZEMS-JTQLQIEISA-N 276.296 -0.289 50 20 CBGD COC[C@H](O)CCNS(=O)(=O)CBr 227982727 AVAKMJNYXCRJCB-ZCFIWIBFSA-N 276.152 -0.344 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)CN(C)C)cc1 263932621 YXQRNRZUEHELMT-UHFFFAOYSA-N 279.296 -0.204 50 20 CBGD Cn1/c(=N\NC(=O)[C@@H](N)CC(N)=O)sc2ccccc21 269633140 PSYQBKRZKRQIIA-GIQSTDFOSA-N 293.352 -0.626 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cccc(-n2cnnn2)c1 273020735 RJRSXWIMXMSEEU-UHFFFAOYSA-N 289.299 -0.032 50 20 CBGD Cc1cccc(C(=O)NNC(=O)c2nnn(C)c2C)n1 279758751 DZNSKUHDBZRQRT-UHFFFAOYSA-N 274.284 -0.098 50 20 CBGD O=C(NNS(=O)(=O)c1ccccc1)N1CCOCC1 299337177 BWBRDMSHCOVEFB-UHFFFAOYSA-N 285.325 -0.078 50 20 CBGD CC(C)C[C@@H](C(N)=O)C(=O)Nc1cccc(B(O)O)c1 584912868 WUEFJFYEIYYKNX-NSHDSACASA-N 278.117 -0.548 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCOC2(CCC2)C1 584967896 CZCSVKBJTXKQLB-UHFFFAOYSA-N 293.103 -0.099 50 20 CBGD C=CC[C@H](CO)CNC(=O)c1ccc(B(O)O)cc1 584969022 ABWSFTWXLFFSFL-JTQLQIEISA-N 263.102 -0.719 50 20 CBGD C[C@H]1[C@@H](C)N(C)CCN1C(=O)c1cc(B(O)O)ccc1F 584970936 VKSPPMOECCQPGX-ZJUUUORDSA-N 294.135 -0.330 50 20 CBGD C[C@H](O)[C@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584972146 OCMAORKGSQGTSB-WPRPVWTQSA-N 281.092 -0.652 50 20 CBGD CO[C@@]1(CNC(=O)c2ccc(B(O)O)c(F)c2)CCOC1 584973947 DGJKVNVJAGUGAV-CYBMUJFWSA-N 297.091 -0.959 50 20 CBGD C=CCN(C(=O)c1ccc(B(O)O)cc1)[C@@H]1CCOC1 584981152 RXBSZJWFDNMANY-CYBMUJFWSA-N 275.113 -0.217 50 20 CBGD COCC[C@@]1(NC(=O)c2cccc(B(O)O)c2)CCOC1 584983355 WHIAIUSVFSQJTA-CQSZACIVSA-N 293.128 -0.708 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC(CF)C1 585002443 VOZSLVNZJGPRLT-UHFFFAOYSA-N 255.029 -0.453 50 20 CBGD C[C@H](O)CN(C(=O)c1ccc(B(O)O)c(F)c1)C1CC1 585008130 KJUSHWXQDRVYLZ-QMMMGPOBSA-N 281.092 -0.509 50 20 CBGD CC(C)[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CCN1 585010568 MVUMFWLCKSVXPI-ZDUSSCGKSA-N 294.135 -0.425 50 20 CBGD CNC(=O)[C@H]1CCC[C@H]1NCc1cccc(B(O)O)c1 585031412 FMLAUOMLKOKAGV-QWHCGFSZSA-N 276.145 -0.629 50 20 CBGD C[C@@H]1CCCN1CCNCc1ccccc1B(O)O 585033746 JPIZRNQVFLTKAB-GFCCVEGCSA-N 262.162 -0.060 50 20 CBGD O=C(NCc1nc(-c2cccc(B(O)O)c2)no1)C1CC1 585052015 QVUJGUGTGZKBKD-UHFFFAOYSA-N 287.084 -0.557 50 20 CBGD Cc1cc(C(=O)NCB(O)O)c2c(C)nn(C)c2n1 585061191 MOTAHGANEHWQQG-UHFFFAOYSA-N 262.078 -0.673 50 20 CBGD CCC[C@H](C)N1C[C@H](C(=O)NCB(O)O)CC1=O 585061778 GTRYAYYUBQORHX-DTWKUNHWSA-N 256.111 -0.848 50 20 CBGD CN(C)c1ncc(CN2CC[C@H](B(O)O)C2)cn1 585077106 QZQOZEKQUWLRRZ-JTQLQIEISA-N 250.111 -0.409 50 20 CBGD CN(C)CC(=O)NNC(=O)CCc1cccnc1 727488770 YUPDGOROZQDROZ-UHFFFAOYSA-N 250.302 -0.277 50 20 CBGD CNC(=O)c1ccc(C(=O)NNC(=O)c2ccc[nH]2)cn1 728513733 VEYHUWBQPANVRD-UHFFFAOYSA-N 287.279 -0.156 50 20 CBGD O=C(NNC(=O)[C@@]12CCC(=O)N1CCS2)C1CCC1 732142556 XXTKTTDVNLQTRZ-LBPRGKRZSA-N 283.353 -0.001 50 20 CBGD CC(C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CC1 733252546 VWTGOAQPJULFBD-QMMMGPOBSA-N 277.346 -0.882 50 20 CBGD O=C(CCC(=O)N1CCOCC1)NNc1cnccn1 734245057 IJBNUXGJHOTIDX-UHFFFAOYSA-N 279.300 -0.441 50 20 CBGD CC(=NNC(=O)C(=O)N1CCCC1)c1cnccn1 734748911 YZGWENZIOHNSCE-UHFFFAOYSA-N 261.285 -0.061 50 20 CBGD COc1cccc(C(=O)NNC(=O)[C@H]2C[C@@H]2C(=O)O)c1O 738084572 ZOKHHZZNLMBKEB-YUMQZZPRSA-N 294.263 -0.118 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H](COC)C1CC1 754203498 JJPVIVNKOWZUGR-WPRPVWTQSA-N 257.334 -0.053 50 20 CBGD COC1(C(=O)NNC(=O)C(=O)NC(C)C)CCCC1 754654669 ZOIITCZCURCCPW-UHFFFAOYSA-N 271.317 -0.382 50 20 CBGD COCC(=O)NNC(=O)Nc1cc(C(N)=O)ccc1F 756065294 IENOZUGYZOZCBR-UHFFFAOYSA-N 284.247 -0.276 50 20 CBGD C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC=C(C#N)CC1 774911431 DCTSAIWJSCGLKW-SECBINFHSA-N 271.342 -0.051 50 20 CBGD Cc1ccn(C)c1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 784311118 QPCAZZRRSGSHPU-SECBINFHSA-N 299.352 -0.471 50 20 CBGD C[C@@H](O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 786687756 HATVWPBYAPHMTF-SSDOTTSWSA-N 290.279 -0.925 50 20 CBGD COCCC(COC)=NNC(=O)C(=O)NC1CC1 812224322 KRBRMUJDBGRRAG-UHFFFAOYSA-N 257.290 -0.580 50 20 CBGD CC(C)CCC(=O)NNC(=O)N1CCO[C@H](C(=O)O)C1 817872019 IDZHBUOKNVZLIF-VIFPVBQESA-N 287.316 -0.051 50 20 CBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CC2CC2)ccn1 819110217 VZYMAAUOPRTIJT-UHFFFAOYSA-N 298.324 -0.710 50 20 CBGD C#C[C@H](C)NC(=O)NNC(=O)[C@@H](C)OCCOC 820426909 AWXHKVFMUZPSGZ-DTWKUNHWSA-N 257.290 -0.610 50 20 CBGD C[C@H]1CN(C[C@@H](C)O)CCN1S(=O)(=O)CCl 820796410 JDGKPEHWKNQKMH-DTWKUNHWSA-N 270.782 -0.101 50 20 CBGD O=C(NNc1cccnn1)c1cc(-c2nn[nH]n2)c[nH]1 823280898 HWTZOBHLBFFGCY-UHFFFAOYSA-N 271.244 -0.258 50 20 CBGD C[C@H](NC(=S)NNC(=O)C[C@@H]1CCC(=O)N1)C1CC1 855101323 UWRNFESRMUCUCW-CBAPKCEASA-N 284.385 -0.051 50 20 CBGD CCOC[C@H]1CN([C@H](C)C(=O)NNC(=O)CC)CCO1 859772886 VAOXBEOAUIABJC-GHMZBOCLSA-N 287.360 -0.330 50 20 CBGD CCS(=O)(=O)N[C@H](C)C(=O)NN[C@@H](C)C(F)(F)F 862319912 MNAKIGSVGGUIJC-RITPCOANSA-N 291.295 -0.114 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CCC=CO2)N1 862460980 KGEFWJXWQVIOEP-HTQZYQBOSA-N 253.258 -0.895 50 20 CBGD O=C(NNS(=O)(=O)CCCCF)c1cn[nH]c1 863412977 ACCUTJKIEIEQLA-UHFFFAOYSA-N 264.282 -0.276 50 20 CBGD CC[C@@]1(NC(=O)c2ccc(B(O)O)cc2)CCOC1 867761528 UMYHUNCZRCBSOS-CYBMUJFWSA-N 263.102 -0.335 50 20 CBGD COC(=O)N(C)NC(=O)N[C@H](C)CN1CCCC1=O 875127536 MAKFEDHYUBRIMS-MRVPVSSYSA-N 272.305 -0.090 50 20 CBGD COC(OC)C(=O)NNC(=O)c1ccccc1O 895523238 ZPBFMHWGDYTYTN-UHFFFAOYSA-N 254.242 -0.228 50 20 CBGD C[C@H](O)CN(C)NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 910183918 UTPRFMIAXHWMQT-DCAQKATOSA-N 297.355 -0.495 50 20 CBGD Cn1nnc2c1C[C@@H](C(=O)NNC(=O)NCC1CC1)CC2 1117666821 OESWVJXICMKQFV-VIFPVBQESA-N 292.343 -0.340 50 20 CBGD Cc1ccc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 1118884464 ZFHIMRFTZYUVEA-SNVBAGLBSA-N 276.296 -0.641 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C(C)=O)cc1 1320241552 VWPZNYKBGSPGMB-UHFFFAOYSA-N 293.279 -0.379 50 20 CBGD N#Cc1ncn(CCNC(=O)NNC(=O)C2CCC2)n1 1325002734 WRDFOWOPMHSHCO-UHFFFAOYSA-N 277.288 -0.720 50 20 CBGD CN(C)CCNC(=S)NNC(=O)c1cc[nH]n1 1327065659 IPVWJVDIUJFTCK-UHFFFAOYSA-N 256.335 -0.920 50 20 CBGD CNC(=O)NNC(=O)c1c(Br)nnn1C 1327658135 QLHXBMSAWVCZRH-UHFFFAOYSA-N 277.082 -0.849 50 20 CBGD O=C(CO[C@H]1CCOC1)NNC(=O)N=c1cc[nH]cc1 1344704743 GQBZVNZPZFVEDQ-JTQLQIEISA-N 280.284 -0.538 50 20 CBGD COc1cccc(NNC(=O)CN2C(=O)CCC2=O)n1 1527957323 ROGITLAODOSUJQ-UHFFFAOYSA-N 278.268 -0.318 50 20 CBGD Cc1cc(CC(=O)NNC(=O)c2ccc(C(=O)O)[nH]2)n[nH]1 1574691594 NEXJLPLEUUOKEQ-UHFFFAOYSA-N 291.267 -0.252 50 20 CBGD O=C(NNC(=O)[C@@H]1CCN1)c1cnc2[nH]ncc2c1 1580736209 OEPCHGMDCABXFP-QMMMGPOBSA-N 260.257 -0.919 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)C(C)(C)C(=O)O)nc21 1605561617 JULBVTWFEMNAMQ-UHFFFAOYSA-N 294.271 -0.377 50 20 CBGD C[C@H](C(=O)O)C(=O)NNC(=O)COc1ccc(C#N)cc1 1609701118 PTLLETKXENEQFV-QMMMGPOBSA-N 291.263 -0.195 50 20 CBGD COc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1F 8402876 GYYDSLWVUYGZQI-UHFFFAOYSA-N 295.270 -0.126 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=S)NC1CC1 26814559 WTHUZEODKTXSBT-UHFFFAOYSA-N 282.325 -0.333 50 20 CBGD CCNC(=O)NNC(=O)c1cc(C)nc2c1c(=O)[nH]n2C 139187849 OPHRQIFBUZWSKW-UHFFFAOYSA-N 292.299 -0.466 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(-n2cnnn2)c(C)c1 139188831 BKVDPBYTYNEHNY-UHFFFAOYSA-N 289.299 -0.065 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@H]2CCOC2)n1 179149750 XFWXMZZQJDKBMV-JTQLQIEISA-N 281.316 -0.381 50 20 CBGD Cc1ccccc1-n1cc(C(=O)NNC(=O)CO)cn1 182756946 GYEYBJNOVMVQCS-UHFFFAOYSA-N 274.280 -0.066 50 20 CBGD O=C(CC1CC1)NNC(=O)C[C@@H]1CCCC(=O)N1 294125311 KRMJUGVJYSZXEL-VIFPVBQESA-N 253.302 -0.007 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN(C)C(=O)OC(C)(C)C 496644121 OXDAGMXWPKKENK-SSDOTTSWSA-N 295.361 -0.178 50 20 CBGD CCCCN(CCCO)C(=O)c1cccc(B(O)O)c1 584970679 FTKCNIIWCBVMGD-UHFFFAOYSA-N 279.145 -0.009 50 20 CBGD O=C(NC[C@@H](O)C1CCC1)c1ccc(B(O)O)c(F)c1 584999894 NIOUOAHCIACNJY-GFCCVEGCSA-N 281.092 -0.604 50 20 CBGD OB(O)c1ccc(CNC[C@@H](O)C2CCOCC2)cc1 585028854 OCWGGQPGBVZKRW-CQSZACIVSA-N 279.145 -0.757 50 20 CBGD CC[C@](C)(CO)CNCc1ccccc1B(O)O 585030287 QYYBYMDINHLJHN-ZDUSSCGKSA-N 251.135 -0.135 50 20 CBGD OB(O)c1ccc(CNC[C@@H]2CN3CCCC[C@H]3CO2)o1 585033894 HYDNUVKZXMDRTR-WCQYABFASA-N 294.160 -0.698 50 20 CBGD O=C(NCB(O)O)[C@H](c1ccccc1)N1CCCCC1=O 585056191 QHMTUVGEEJOXQH-ZDUSSCGKSA-N 290.128 -0.132 50 20 CBGD O=S(=O)(CCCN1CCCC1)N1CC[C@@H](B(O)O)C1 585057768 ZOOFPUKXOLYYTP-LLVKDONJSA-N 290.194 -0.649 50 20 CBGD O=C(NCB(O)O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 585057836 LOWLPZIFQQOGAJ-QMMMGPOBSA-N 296.519 -0.179 50 20 CBGD CCOc1ccc(C(=O)NCB(O)O)cc1OC 585059035 XPGBALJWMHTSDT-UHFFFAOYSA-N 253.063 -0.164 50 20 CBGD C[C@@H](COCC(=O)NCB(O)O)c1ccccc1 585062521 KBRRZKIADYWJEN-JTQLQIEISA-N 251.091 -0.065 50 20 CBGD C[C@@H](C(=O)NNc1ccnc(N(C)C)n1)S(C)(=O)=O 740114034 NLROCNRBHLQKHP-ZETCQYMHSA-N 287.345 -0.581 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cnn(CC)c1 740851270 XERMOIZNHWBMAN-UHFFFAOYSA-N 295.343 -0.031 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cc(C(=O)O)oc1C 746055363 GYJBPFKBQOHOIJ-UHFFFAOYSA-N 277.258 -0.591 50 20 CBGD CCCCNC(=O)NNS(=O)(=O)c1cn(C)cn1 751272843 RWQHYIWUDLLAKS-UHFFFAOYSA-N 275.334 -0.287 50 20 CBGD CC[C@@H](C)n1nc(C(=O)NNC(=O)CO)cc1C 753439231 WQGUGJISZFNBQY-SSDOTTSWSA-N 254.290 -0.084 50 20 CBGD O=C(CO)NNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 753445582 PAEBAKBWHLBREU-UHFFFAOYSA-N 296.283 -0.073 50 20 CBGD COc1cccc([C@H](O)C(=O)NNC(=O)C(C)(C)O)c1 768259367 LOWSSPHTGNRDBI-JTQLQIEISA-N 282.296 -0.353 50 20 CBGD CN(NC(=O)c1cccc(-n2cccn2)n1)C(N)=O 770438073 ITGIGUVBYJJAIR-UHFFFAOYSA-N 260.257 -0.077 50 20 CBGD Cc1cc(NNC(=O)CN2CCN(C)C(=O)C2)nc(C)n1 781934317 DRBUMMJVUQHUCG-UHFFFAOYSA-N 292.343 -0.689 50 20 CBGD C=C[C@](C)(O)CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 792855055 NSDRISIBVJRYSF-PWSUYJOCSA-N 290.385 -0.194 50 20 CBGD CCCNC(=O)NNC(=O)[C@H](OC)c1cnn(C)c1 798931582 GFLAGOOWEXVCMH-SECBINFHSA-N 269.305 -0.152 50 20 CBGD CC(C)(C(=O)NNC(=O)Cc1cc[nH]n1)N1CCOCC1 801152274 ODRUMHVQCIGFNY-UHFFFAOYSA-N 295.343 -0.790 50 20 CBGD C[C@@](C#N)(CC(=O)O)C(=O)NNC(=O)Cc1ccncc1 819848859 VARPXNMFLWYMDH-ZDUSSCGKSA-N 290.279 -0.224 50 20 CBGD COCCn1cc(C(=O)NN(C)[C@@H](C)CO)cn1 823907037 GDLLJZXWODOMNY-VIFPVBQESA-N 256.306 -0.513 50 20 CBGD C[C@H](CO)N(C)NC(=O)/C=C1\SCC(=O)N1C 823913092 NYEGMVWFPFMNLF-GDRUQYFBSA-N 259.331 -0.623 50 20 CBGD COc1ncc(/C=C\C(=O)NN(C)[C@@H](C)CO)cn1 823935656 VAENRNLZZGZNSH-WBSSQXGSSA-N 266.301 -0.158 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)C2(Br)CC2)N1 824856805 KOQFNDAVIPTXIL-RXMQYKEDSA-N 290.117 -0.660 50 20 CBGD COCCOCC(=O)NNC(=O)c1cnc(Cl)n1C 825136103 FRGBOMMZVVBOBQ-UHFFFAOYSA-N 290.707 -0.503 50 20 CBGD C=C[C@](C)(O)C(=O)NNC(=S)NCCSC 831575310 FNPCAJKNZAHVDH-VIFPVBQESA-N 263.388 -0.218 50 20 CBGD CCC[C@H](C(=O)NN=c1cc[nH]cc1)S(N)(=O)=O 831867673 FFNMUEFGJGPTGW-SECBINFHSA-N 272.330 -0.596 50 20 CBGD CCCN1C[C@@H](C(=O)NN(C)CCOC)CC1=O 840454044 VAOSTFKLBHTCDJ-JTQLQIEISA-N 257.334 -0.146 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)C[C@@H]1CCCO1 842591994 HVIYAZWWEMKNCU-LPEHRKFASA-N 292.357 -0.459 50 20 CBGD CC(=O)N1CCC[C@H](C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1 843646586 WLOXVSNTGUCXLY-ZMLRMANQSA-N 297.355 -0.183 50 20 CBGD COc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)on1 843660798 LIZWWTWNOGWNOE-RQJHMYQMSA-N 269.257 -0.131 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)C2)n[nH]1 843843290 WNTHGXYXWWXSJC-ZETCQYMHSA-N 250.258 -0.152 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2CCO[C@@H]2CN)n1 852841561 MHNMXRPCBNUXND-DTWKUNHWSA-N 281.316 -0.399 50 20 CBGD CC[C@H]1COCC1=NNC(=O)Cc1cc(O)nc(O)n1 853312266 OEALGEFGGNRYOY-ZETCQYMHSA-N 280.284 -0.041 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1ncc(F)cc1F 857533285 QXYYIACYJCCYOQ-UHFFFAOYSA-N 288.254 -0.092 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NOC2CCCCC2)N1 858374733 VEAVHBWYAWZSLI-SECBINFHSA-N 284.316 -0.140 50 20 CBGD O=C(CCc1ccc(O)cc1)NNC(=O)[C@@H]1CCC(=O)N1 862460147 CZXGSYFJVSCLBH-NSHDSACASA-N 291.307 -0.249 50 20 CBGD O=C1CC[C@H](C(=O)NN=Cc2cccc(O)c2O)N1 863145261 ILRVADAOSNZPLG-MRVPVSSYSA-N 263.253 -0.174 50 20 CBGD COCCOCC(=O)NNC(=O)c1cnn2ccccc12 869909377 UBWNJPNBVLVAES-UHFFFAOYSA-N 292.295 -0.242 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1C[C@H]2CC[C@H]1[C@@H](O)C2 884438929 OKNACTBOVLFWON-HTFCKZLJSA-N 297.355 -0.003 50 20 CBGD O=C(CCC(=O)N1CCOCC1)NNc1ncccn1 913044427 YXLRZUNXLZMLNO-UHFFFAOYSA-N 279.300 -0.441 50 20 CBGD CCCNC(=O)NNC(=O)c1ccc(OCC(N)=O)cc1 921042257 JCSYRIZTRZBMQX-UHFFFAOYSA-N 294.311 -0.095 50 20 CBGD COC(=O)C(=O)NN[C@@H](C(=O)OC)c1ccccc1F 1116538436 NQPPVWAWESNDAO-SECBINFHSA-N 284.243 -0.166 50 20 CBGD Cn1cc(C(=O)NNC(=O)CC[C@]2(C)CCC(=O)N2)cn1 1254636327 IGCPWYAXMSWOAL-ZDUSSCGKSA-N 293.327 -0.370 50 20 CBGD O=C(NNC(=O)c1ccc2nc[nH]c2c1)C(=O)NC1CC1 1317736520 DSQNMWQLLOOXTJ-UHFFFAOYSA-N 287.279 -0.398 50 20 CBGD O=C(CC1CC1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1317993646 SVZFINXQNIZEKC-MRVPVSSYSA-N 275.330 -0.696 50 20 CBGD CN(C)C(=O)NNC(=O)Cc1csc(-c2nc[nH]n2)n1 1318357035 UYIDOPKQKBBVRX-UHFFFAOYSA-N 295.328 -0.227 50 20 CBGD Cn1ccnc(NNC(=O)[C@H]2CCCOC2)c1=O 1319352883 MRGLBRKKBBEGJD-QMMMGPOBSA-N 252.274 -0.350 50 20 CBGD CNC(=O)CCCCC(=O)NNC(=O)NC1CC1 1320483934 YABYVHDXSNXLME-UHFFFAOYSA-N 256.306 -0.214 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 1324111747 HFUCORLQUDUQTH-AXTSPUMRSA-N 255.318 -0.898 50 20 CBGD NS(=O)(=O)c1ccccc1NNC(=O)c1cnccn1 1324864985 VZUWJCLFWRDRKR-UHFFFAOYSA-N 293.308 -0.119 50 20 CBGD CCc1nn(C)cc1NC(=O)C(=O)NNC(=O)CC1CC1 1325516857 VPWYFCAZUDOOKR-UHFFFAOYSA-N 293.327 -0.132 50 20 CBGD COCCN(C)NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 1326806085 PZVLNTMDCIXUIW-JTQLQIEISA-N 290.385 -0.189 50 20 CBGD Cc1cnccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1330516530 LWBDJEAYPCPIFS-VIFPVBQESA-N 262.269 -0.570 50 20 CBGD CNC(=O)C1CCN(CC(=O)NNC(=O)C2CC2)CC1 1334130401 UOEOCAURMCEZFH-UHFFFAOYSA-N 282.344 -0.998 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@]12CCC[C@@H]1C2 1336527741 RXGTWSMXBPXMAY-BXKDBHETSA-N 256.302 -0.013 50 20 CBGD Cc1cncc(NC(=O)C(=O)NNC(=O)C2CC2)c1 1342590265 GOEPLNCYOIOFDQ-UHFFFAOYSA-N 262.269 -0.114 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCc2ncncc2C1 1350779029 WMVPINKNALPBRT-VHSXEESVSA-N 264.329 -0.075 50 20 CBGD O=C(C[C@H]1C[C@H]2CC[C@H]1O2)NNC(=O)[C@@H]1CCC(=O)N1 1351628692 SUGSERTVPYKTJV-DOLQZWNJSA-N 281.312 -0.630 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2csc(CO)n2)CC1 1351970431 BLCPHROFZLGLES-UHFFFAOYSA-N 299.356 -0.763 50 20 CBGD C[C@H](CNC(=O)NNc1cccnn1)N1CCN(C)CC1 1520190903 HCCVOZQEMRSFGK-LLVKDONJSA-N 293.375 -0.261 50 20 CBGD Nc1cnccc1C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1 1549312193 CROQHOOHTOIPPL-AAEUAGOBSA-N 289.339 -0.023 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CO[C@@H](CCC(=O)O)C1 1573888061 OJDUKNVHRIXWTO-YUMQZZPRSA-N 273.289 -0.393 50 20 CBGD CC(=O)Nc1cncc(C(=O)NNC(=O)[C@@H](C)C(=O)O)c1 1588526114 LANHLOKKTSHIQP-ZCFIWIBFSA-N 294.267 -0.478 50 20 CBGD O=C(NNc1nc[nH]n1)c1coc(-c2nn[nH]n2)c1 1593166639 MFLSAAWEZZAUIX-UHFFFAOYSA-N 261.205 -0.665 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1C[C@@H]1c1ccccc1 1601552644 CAUBBMHFEUGRMO-RKDXNWHRSA-N 263.253 -0.043 50 20 CBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 1604095248 RTCMAGANBHTOPA-UYXSQOIJSA-N 270.285 -0.188 50 20 CBGD O=C(O)CSCC(=O)NNC(=O)Cc1ccccc1O 1606302123 UPUYNBJYODZYSQ-UHFFFAOYSA-N 298.320 -0.100 50 20 CBGD Cc1ccc(NNC(=O)NC[C@H](F)C(=O)O)nn1 1607810226 VESNQVFOTRZCNG-LURJTMIESA-N 257.225 -0.166 50 20 CBGD Cn1ccc(NNC(=O)c2cc(C(=O)O)nn2C)n1 1608127699 LYUXFOHYRWPMTF-UHFFFAOYSA-N 264.245 -0.391 50 20 CBGD N[C@@H]1CCCN(CC(=O)NNC(=O)c2cccs2)C1 41029764 QKKBZVFIPNFUNQ-SECBINFHSA-N 282.369 -0.068 50 20 CBGD COc1ccccc1CCC(=O)NNC(=O)CO 180961298 DHPJGJZPXKBZCH-UHFFFAOYSA-N 252.270 -0.233 50 20 CBGD CC[C@H](C(=O)NNC(=O)C(=O)NC(C)C)N1CCCC1=O 266792495 FJLDEVSEOCZTFF-SECBINFHSA-N 298.343 -0.941 50 20 CBGD Cc1cc(C)n2nc(C(=O)NNC(=O)C(C)(C)O)nc2n1 276335792 ZBCLRHDAANZQQP-UHFFFAOYSA-N 292.299 -0.727 50 20 CBGD COCCN(C)NC(=O)CNC(=O)c1ccc(C#N)cc1 288369942 HTWHXZBYJFHFAG-UHFFFAOYSA-N 290.323 -0.103 50 20 CBGD O=C(O)[C@]1(NS(=O)(=O)CBr)CCOC1 367250065 DVVPOFGGIUOLAF-LURJTMIESA-N 288.119 -0.498 50 20 CBGD COC(=O)Cc1occc1C(=O)NNC(=O)OC 495892020 LYVZYBBGSYNBKJ-UHFFFAOYSA-N 256.214 -0.004 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]([C@H]2CCOC2)C1 584965854 SFXWDQLNKDBFLN-STQMWFEESA-N 289.140 -0.135 50 20 CBGD COC[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F 584970086 SHQOVIKIYHDDQZ-SSDOTTSWSA-N 255.054 -0.730 50 20 CBGD C[C@H](C[S@](C)=O)N(C)C(=O)c1ccc(B(O)O)cc1 584973102 LSGHVXRKUFRGIN-HOGDKLEQSA-N 283.158 -0.795 50 20 CBGD C[C@H]1[C@H](CO)CCN1C(=O)c1cccc(B(O)O)c1 584982710 PTAQNFSTYLGMNM-ONGXEEELSA-N 263.102 -0.791 50 20 CBGD COCC[C@@H](COC)NC(=O)c1ccc(B(O)O)c(F)c1 584991234 WQYXZZWVSLIDKX-JTQLQIEISA-N 299.107 -0.713 50 20 CBGD C[C@@H]1C[C@H](O)CN(C(=O)c2ccc(B(O)O)cc2)C1 584998227 CPZAUORFZAOSFN-SKDRFNHKSA-N 263.102 -0.791 50 20 CBGD O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(B(O)O)ccc1F 585003800 XRKKIGBHETYZBU-FXAINCCUSA-N 279.076 -0.445 50 20 CBGD COC[C@@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 585010544 UHZAOCFJLWDMMS-LBPRGKRZSA-N 263.102 -0.383 50 20 CBGD OC[C@H](CC(F)(F)F)NCc1cccc(B(O)O)c1 585031820 KOTPXBQCAUYOTP-JTQLQIEISA-N 277.051 -0.231 50 20 CBGD C[C@H](CNCc1ccc(B(O)O)cc1F)N(C)C 585033062 WINZWYQVMOWHHW-SECBINFHSA-N 254.114 -0.455 50 20 CBGD CCCCC(=O)N1CSC[C@@H]1C(=O)NCB(O)O 585059208 DMCOTSBJXMGOPH-MRVPVSSYSA-N 274.151 -0.794 50 20 CBGD O=C(NCB(O)O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 585060208 BTFQTYGBJKJNJQ-UHFFFAOYSA-N 290.044 -0.478 50 20 CBGD O=C(NCC(=O)N1CC[C@H](B(O)O)C1)C1CCCCC1 585071199 OIHRRORRRFFDIP-NSHDSACASA-N 282.149 -0.242 50 20 CBGD O=C1CCCCCCN1CC(=O)N1CC[C@H](B(O)O)C1 585077659 SZUJBMJJMVXOCK-NSHDSACASA-N 282.149 -0.146 50 20 CBGD C[C@H](NC(=O)NNC(=O)Cc1cccnc1)C(=O)N(C)C 728957700 IEJCJLNQFUFFOT-VIFPVBQESA-N 293.327 -0.569 50 20 CBGD O=C(NN=C1CCOC1)N[C@H]1CCS(=O)(=O)C1 731925683 QRKZFTDMBNBQKT-QMMMGPOBSA-N 261.303 -0.751 50 20 CBGD O=C(CNCC(F)(F)F)NNC(=O)Cc1cccnc1 733149713 DNOAGXDFPGQEPP-UHFFFAOYSA-N 290.245 -0.077 50 20 CBGD O=C(CC1(O)CCCC1)NNC(=O)N1CCOCC1 746184222 IBBIAMWVISCUDH-UHFFFAOYSA-N 271.317 -0.245 50 20 CBGD Cc1cc(C(=O)NNC(=O)CO)ccc1N1CCNC1=O 753443245 WCRNCNKQVLXMRM-UHFFFAOYSA-N 292.295 -0.722 50 20 CBGD COCC(=O)NN=C(C)c1cccc(S(N)(=O)=O)c1 761821997 QSKYWLCIOXKSMB-UHFFFAOYSA-N 285.325 -0.179 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)c1cc(C)[nH]n1 768273268 BORTUOXIPTYFLI-NSHDSACASA-N 275.312 -0.423 50 20 CBGD C[C@]1(CCC(=O)NNC(=O)C2CC2)CCC(=O)N1 770465504 FFISYOWQESTQKY-GFCCVEGCSA-N 253.302 -0.007 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccc(=O)n(C)c1 770548252 DSWKQZPFECCNEM-UHFFFAOYSA-N 252.274 -0.309 50 20 CBGD CC[C@@H](CO)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 779580399 YWZQCOJTAMZKLX-JOYOIKCWSA-N 294.307 -0.008 50 20 CBGD CN(NC(=O)CC(=O)NCC(F)(F)F)C(N)=O 779674662 JFOOGCWBMNUHJT-UHFFFAOYSA-N 256.184 -0.903 50 20 CBGD O=C(Cn1cccnc1=O)NNc1ccnc(F)c1 781365367 GXIVQHPGBQUHFZ-UHFFFAOYSA-N 263.232 -0.079 50 20 CBGD C[C@H]1C[C@H](C(=O)NNC(=O)CNC(=O)c2ccco2)CO1 784091042 ZCXZDFDZPPYDBJ-IUCAKERBSA-N 295.295 -0.418 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)c2ccccn2)C1 788488352 JQKIUNQFPCGTBV-UHFFFAOYSA-N 262.269 -0.679 50 20 CBGD CC(C)C(CS(=O)(=O)N(C)C)=NNC(=O)CN(C)C 794901122 AJDDUUWSDNEPPC-UHFFFAOYSA-N 292.405 -0.432 50 20 CBGD COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)CO)C2 814896179 MRKHAVWFUAHXSZ-QWRGUYRKSA-N 255.318 -0.276 50 20 CBGD CN(NC(=O)[C@H](CS(C)(=O)=O)c1ccccc1)C(N)=O 816958164 HEHVZZDMNPEMCM-SNVBAGLBSA-N 299.352 -0.144 50 20 CBGD COCCN(C)NC(=O)[C@@H](C)CN1CCOCC1 819745182 SRAPOPWPAINEEK-NSHDSACASA-N 259.350 -0.436 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CCSc1nnnn1C 823970461 HDUIAFQRJQCOOH-ZETCQYMHSA-N 274.350 -0.964 50 20 CBGD COC(=O)C[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F 829732660 RRYXJAPLZLXEIZ-SSDOTTSWSA-N 283.064 -0.813 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2nncn2c1 843649576 VRWOHUXLKOVAJD-PSASIEDQSA-N 289.295 -0.085 50 20 CBGD CC(C)(O)C(=O)NNC(=O)Cc1cnn2ccccc12 843865493 RSXSQWZGIWJPNQ-UHFFFAOYSA-N 276.296 -0.205 50 20 CBGD CCONC(=O)CNC(=O)NNc1nc2ccccn2n1 845537743 HXTDSYMGVWYZIH-UHFFFAOYSA-N 293.287 -0.577 50 20 CBGD CN(C)c1ncc(C(=O)NNC(=O)CO)cc1Cl 848372717 CFRUVOSCPWSTJC-UHFFFAOYSA-N 272.692 -0.446 50 20 CBGD NCCCC(=O)NNC(=O)Nc1ccnc(OCCO)c1 850767540 MNWWDWNQGZWAFH-UHFFFAOYSA-N 297.315 -0.656 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@H](O)C1CC1 854377320 KUMGGGAZAONSSJ-SECBINFHSA-N 250.258 -0.573 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=S)N[C@@H](C)C1CC1 855099172 SSWDQTIQPUMEPR-CPCISQLKSA-N 275.374 -0.322 50 20 CBGD CO[C@](C)(C(=O)NNC(=O)c1cc[nH]n1)C1CC1 855356476 RVTWYSVFUATGLC-NSHDSACASA-N 252.274 -0.014 50 20 CBGD C=CC(=O)N(C)CC(=O)NNc1nc(C)cc(OC)n1 859795045 CJOWDWJHHANFRH-UHFFFAOYSA-N 279.300 -0.119 50 20 CBGD COc1ncccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862450857 CLLPAJPPUSCLSF-MRVPVSSYSA-N 278.268 -0.870 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1ccncc1 863190414 VQOKDBMWGXJSTI-UHFFFAOYSA-N 255.299 -0.034 50 20 CBGD CCOC(=O)NNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 863399249 BHRZPRCJEGCFKJ-UHFFFAOYSA-N 293.261 -0.732 50 20 CBGD CON1CCC(NC(=O)c2cc(B(O)O)ccc2F)CC1 863884344 IHBMBXDEADFTBJ-UHFFFAOYSA-N 296.107 -0.739 50 20 CBGD C=CCOC[C@@H](NCc1cccc(B(O)O)c1)C(=O)OC 863891574 UEABDRRLUDWSHO-CYBMUJFWSA-N 293.128 -0.800 50 20 CBGD CCOC(C)(C)C(=O)NNC(=O)COCCOC 869901648 UEUHJBACLBWMHC-UHFFFAOYSA-N 262.306 -0.388 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1ccnc(N(C)C)c1 880608059 CHEPRLOJKRQISY-UHFFFAOYSA-N 280.332 -0.138 50 20 CBGD CCCN(C(=O)c1cccc(B(O)O)c1)[C@H](C)C(=O)OC 888605964 MOWHJBCGPMYSND-SNVBAGLBSA-N 293.128 -0.220 50 20 CBGD CC[C@@H](CN1CCOCC1)NCc1ccc(B(O)O)cc1 896620211 YTASPHPHDOGAPW-HNNXBMFYSA-N 292.188 -0.433 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1CCCC(=O)N1C 906417064 IGANPHDUKSUFIV-VIFPVBQESA-N 286.332 -0.636 50 20 CBGD CO[C@H](C(=O)NN(C)C[C@@H](C)O)c1cnn(C)c1 910150387 QTHQSDUKAIXDFA-SCZZXKLOSA-N 256.306 -0.549 50 20 CBGD CC(C)C(=O)NNC(=S)NCCCN1CCOCC1 916122590 AXOUGIINNIOPPW-UHFFFAOYSA-N 288.417 -0.140 50 20 CBGD COC(=O)N(C)NC(=O)c1ccc(S(N)(=O)=O)o1 1117157385 MNUAWSPQKAAFQR-UHFFFAOYSA-N 277.258 -0.730 50 20 CBGD COc1ccnc(C(=O)NNC(=O)C(=O)NC(C)C)c1 1118207184 UVRVIOZKIOWJQI-UHFFFAOYSA-N 280.284 -0.624 50 20 CBGD CS(=O)(=O)CC(=O)NN=C1CCc2cccnc21 1119298229 AXIFGFSXDCVTSO-UHFFFAOYSA-N 267.310 -0.107 50 20 CBGD C[C@@H](CS(C)(=O)=O)C(=O)NN(C)[C@H](C)CO 1261910605 DXECJXYRQODZAM-JGVFFNPUSA-N 252.336 -0.989 50 20 CBGD CC(C)NC(=O)NNC(=O)c1cccc(C(N)=O)n1 1320247141 IZWLMJGFLHXCFH-UHFFFAOYSA-N 265.273 -0.467 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cccc(OCC#N)c1 1321183343 CTIQHYOKESCTMH-UHFFFAOYSA-N 292.251 -0.085 50 20 CBGD CNC(=S)N(C)NC(=O)CCCCNC(N)=O 1328415906 FDNOUFOSYUCAMS-UHFFFAOYSA-N 261.351 -0.708 50 20 CBGD O=C(NNC(=O)[C@H]1CCCOC1)C1CCOCC1 1334305782 AKFZKBXLGBCQSU-JTQLQIEISA-N 256.302 -0.013 50 20 CBGD COCCCOCCC(=O)N1CC[C@@H](B(O)O)C1 1348490353 QDETVPXIHPLDGP-SNVBAGLBSA-N 259.111 -0.495 50 20 CBGD Nc1ncc(C(=O)NNC(=O)[C@H]2CCCO2)s1 1580471487 JBLHHVASMZONQL-RXMQYKEDSA-N 256.287 -0.335 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@](C)(C(=O)O)C1 1588799597 SUSNRJHODBODQM-LBPRGKRZSA-N 271.317 -0.414 50 20 CBGD C[C@@H](CC(=O)O)NC(=O)NNC(=O)[C@@H]1CCCCO1 1589000703 CXPWGEGDKCDCIS-YUMQZZPRSA-N 273.289 -0.251 50 20 CBGD CC[C@@H](CNC(=O)NNC(=O)[C@H]1CCCCO1)C(=O)O 1589538795 NOKNKMPKWCMBLU-DTWKUNHWSA-N 287.316 -0.003 50 20 CBGD CN1C[C@@H](C(=O)NNc2ccccc2C(=O)O)NC1=O 1606197889 NOGYMCUYOHRDHS-VIFPVBQESA-N 278.268 -0.149 50 20 CBGD CNC(=O)NNC(=O)CNC(=O)c1ccccc1 57292302 XHZFBUOIPMFQSQ-UHFFFAOYSA-N 250.258 -0.623 50 20 CBGD CCNC(=O)NNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 68454633 NEFCTCOVSQFVEB-LBPRGKRZSA-N 297.315 -0.943 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCCNC(=O)C2CC2)[nH]n1 151152875 WKBMVDYBYJIYDJ-UHFFFAOYSA-N 293.327 -0.214 50 20 CBGD COc1nccnc1NNC(=O)[C@@H](C)CN1CCOCC1 274119640 SGJZICFVPWGDOD-JTQLQIEISA-N 295.343 -0.103 50 20 CBGD O=C(NNc1ncccn1)[C@@H]1COCCN1CC(F)F 274624035 QTOGJNFDZPDRNZ-QMMMGPOBSA-N 287.270 -0.114 50 20 CBGD Cc1c(CC(=O)NNC(=O)N2CCOCC2)cnn1C 292233120 RVIVYYOHZPYHED-UHFFFAOYSA-N 281.316 -0.656 50 20 CBGD CCCNC(=O)CCC(=O)NNC(=O)[C@@H]1CCCO1 294576508 HDIPAKMJYYKVDQ-VIFPVBQESA-N 271.317 -0.381 50 20 CBGD COCC(=O)NNC(=O)CCNC(=O)OC(C)(C)C 494970851 KHGYCXRMIHNSFU-UHFFFAOYSA-N 275.305 -0.305 50 20 CBGD COC(=O)NNC(=O)Cn1cc([N+](=O)[O-])nc1C 495366957 LCFOWPCCJCZGMN-UHFFFAOYSA-N 257.206 -0.513 50 20 CBGD O=C(NCC1(O)CCCCC1)c1ccc(B(O)O)c(F)c1 584948670 IXKCMAILBHGGIR-UHFFFAOYSA-N 295.119 -0.070 50 20 CBGD C[C@@H]1C[C@H](NC(=O)c2ccc(B(O)O)cc2)CN1C1CC1 584957664 KLOJVYMMYLGRAY-MFKMUULPSA-N 288.156 -0.279 50 20 CBGD C[C@@H]1CN(C)C[C@@H]1NC(=O)c1cccc(B(O)O)c1 584958959 WFAKJQBAEISQRC-SKDRFNHKSA-N 262.118 -0.954 50 20 CBGD CS[C@H](CO)[C@@H](C)NC(=O)c1cccc(B(O)O)c1 584962653 JIXHCINFRJVMES-LDYMZIIASA-N 283.158 -0.791 50 20 CBGD O=C(NCCC1=CCOCC1)c1cccc(B(O)O)c1 584964336 CUJLWJPAZCHLHG-UHFFFAOYSA-N 275.113 -0.167 50 20 CBGD CC1(C)CN(C(=O)c2cccc(B(O)O)c2)CC[C@H]1O 584979532 WQHSTTGAOAPWCH-GFCCVEGCSA-N 277.129 -0.401 50 20 CBGD O=C(NC[C@H]1CCSC1)c1ccc(B(O)O)c(F)c1 584984423 YKEQSESHDJAYTN-MRVPVSSYSA-N 283.133 -0.012 50 20 CBGD C[C@@H]1COCC[C@@H]1CNC(=O)c1cc(B(O)O)ccc1F 584989620 RFPPBBHKFJLOPB-NXEZZACHSA-N 295.119 -0.092 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@H](F)[C@H](F)C1 584997295 CVHISPDOFIVRSZ-AOOOYVTPSA-N 273.019 -0.363 50 20 CBGD COC[C@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 585010543 UHZAOCFJLWDMMS-GFCCVEGCSA-N 263.102 -0.383 50 20 CBGD OB(O)c1ccc(CNCCc2nncn2C2CC2)cc1 585024704 BBOJMMDFDJJDQG-UHFFFAOYSA-N 286.144 -0.375 50 20 CBGD O=C1C[C@@H](CNCc2ccccc2B(O)O)CN1C1CC1 585045427 HUYFTPONSGGIOO-NSHDSACASA-N 288.156 -0.533 50 20 CBGD CCCn1cc(C(=O)N2CC[C@@H](B(O)O)C2)cn1 585066848 SBKVZNOOPJULIO-SNVBAGLBSA-N 251.095 -0.018 50 20 CBGD CC(C)CC(=O)NNC(=O)CN1CCN(C)CC1 732262334 VBYMKUCSPIGSSI-UHFFFAOYSA-N 256.350 -0.573 50 20 CBGD C[C@@H](CS(C)(=O)=O)NC(=O)NNC(=O)C1CCC1 733659770 FIBJGMNECURPEY-ZETCQYMHSA-N 277.346 -0.450 50 20 CBGD CC(C)(NC(=O)O)C(=O)NNC(=O)NCC1CC1 736336536 HNPQCPAKYBJVMJ-UHFFFAOYSA-N 258.278 -0.227 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H]1CO 744407750 QTHUGVXTYTVZGY-VIFPVBQESA-N 257.334 -0.363 50 20 CBGD COc1c(F)ccc(F)c1C(=O)NNC(=O)CO 753440684 WZDDXABQLSPFSM-UHFFFAOYSA-N 260.196 -0.273 50 20 CBGD CCCNC(=O)CCC(=O)NNC(=O)Cc1cc[nH]n1 755276164 KGGAJSKVMCRGNI-UHFFFAOYSA-N 281.316 -0.594 50 20 CBGD Cc1cc(NC(=O)NNC(=O)c2cnccn2)n(C)n1 755430221 PNMRPGZCGYAZED-UHFFFAOYSA-N 275.272 -0.015 50 20 CBGD Cn1cc(NC(=O)NNC(=O)c2cnn(C)c2)cn1 755494653 ZNQVZSJNEGJSAG-UHFFFAOYSA-N 263.261 -0.380 50 20 CBGD CCN(CC)CC(=O)NNC(=O)C(=O)Nc1ccccn1 758840054 RTYYRZTWZRWBNJ-UHFFFAOYSA-N 293.327 -0.491 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)NCC1CC1 761388939 JOSVQPSDRVQAPK-LURJTMIESA-N 258.278 -0.529 50 20 CBGD COCC(=O)NN=C1CCN(CCN2CCOCC2)CC1 761821715 MVIFWUXQCBYFLM-UHFFFAOYSA-N 298.387 -0.467 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 770436886 BKRMBZILCKDTFX-UWVGGRQHSA-N 288.348 -0.928 50 20 CBGD N#Cc1ccc(CSCC(=O)NNC(=O)CO)cc1 777781934 ISKDKOVQDIBHIY-UHFFFAOYSA-N 279.321 -0.069 50 20 CBGD CCN(CC(=O)NNC(=O)C(C)(C)C)[C@@H]1CCNC1=O 799354209 NUVQVQZJMLAWGO-SECBINFHSA-N 284.360 -0.610 50 20 CBGD CN1CCN(C(=O)NNC(=O)Cc2ccoc2)CC1 807382058 VLTOZVSIWNCYIL-UHFFFAOYSA-N 266.301 -0.190 50 20 CBGD COCCN(C)NC(=O)CCSCC(=O)OC 808073255 HUEAYZSFCKCLKG-UHFFFAOYSA-N 264.347 -0.108 50 20 CBGD C=C[C@@H](O)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1 814551568 VKJKCTIDGHSPDK-LLVKDONJSA-N 292.291 -0.154 50 20 CBGD O=C(NNC(=O)[C@@H](O)C1CC1)c1ccc2c(c1)OCCO2 820121078 DUHWVGPWJLWVPG-LBPRGKRZSA-N 292.291 -0.010 50 20 CBGD CN1C(=O)CC[C@@H](NC(=O)NNc2ccncn2)C1=O 823905787 LYBZNHXTCPBYCZ-SSDOTTSWSA-N 278.272 -0.750 50 20 CBGD CC(=O)N1CCCC[C@H]1C(=O)NN(C)[C@H](C)CO 823971202 QLYFIUBBJATXLI-KOLCDFICSA-N 257.334 -0.269 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2C[C@H]2C(=O)O)n[nH]1 832864452 GPIFVTNGHSRTNR-NTSWFWBYSA-N 252.230 -0.800 50 20 CBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=O)[C@@H]1CCCCO1 841437965 GURQWMVUVQMCGS-BIIVOSGPSA-N 271.273 -0.800 50 20 CBGD CNCCNC(=O)NNC(=O)COc1ccc(C)cc1 841935333 FDQZRRRIKJQZMT-UHFFFAOYSA-N 280.328 -0.076 50 20 CBGD CNC(=S)N(C)NC(=O)C(C)(C)CNC(C)=O 854927684 OFAACGDSHGWDSN-UHFFFAOYSA-N 260.363 -0.384 50 20 CBGD Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCNC2)o1 861710133 JYJDEOQDOMTZSA-MRVPVSSYSA-N 252.274 -0.106 50 20 CBGD Cc1csc(C(=O)NNC(=O)[C@@H]2CC(=O)NC(=O)N2)c1 862479288 JPDGOHJFGGVEPC-LURJTMIESA-N 296.308 -0.584 50 20 CBGD Cc1sccc1C(=O)NNC(=O)CS(C)(=O)=O 863466023 OIEXCKHZBRENGE-UHFFFAOYSA-N 276.339 -0.138 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CN1CCCC1 873836441 WDJGVIBQJHDYHM-UHFFFAOYSA-N 250.302 -0.118 50 20 CBGD CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 900455633 XCTOVTXNKGCZIA-RKDXNWHRSA-N 271.317 -0.837 50 20 CBGD CN1C(=O)CS/C1=C\C(=O)N1CC[C@H](B(O)O)C1 902552929 ZKIYCHPZMIVUGN-SOBCLFBASA-N 270.119 -0.892 50 20 CBGD CCn1cc(C(=O)NNC(=O)c2cccn2C)nn1 929435833 QAMUOLYHLNURAP-UHFFFAOYSA-N 262.273 -0.289 50 20 CBGD CCNC(=O)NNC(=O)c1c(C)oc2ncn(C)c(=O)c12 1115899466 FVCJMHGJSXXHNP-UHFFFAOYSA-N 293.283 -0.201 50 20 CBGD Cc1cc(C(=O)NNc2ccc(C(N)=O)nn2)no1 1116251705 WTRUYSYUUNQVIC-UHFFFAOYSA-N 262.229 -0.371 50 20 CBGD CON=CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1117717558 OXIAFYZFPZIXFQ-QMMMGPOBSA-N 263.319 -0.889 50 20 CBGD Nc1cnnc(NNC(=O)[C@@H](O)C2CC2)c1Cl 1118673837 BRLMIMGFNZWOEW-ZETCQYMHSA-N 257.681 -0.074 50 20 CBGD O=C(CCc1nccs1)NNC(=O)[C@H]1CCC(=O)N1 1118885138 VQQRJHRENKGVKN-SSDOTTSWSA-N 282.325 -0.498 50 20 CBGD NC(=O)c1csc(C(=O)N2CC[C@@H](B(O)O)C2)c1 1118916739 UAYTZQKZZNKWCG-SSDOTTSWSA-N 268.103 -0.464 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)OCC(F)(F)F)N1 1261754868 NHNZFROKNWHEFV-SCSAIBSYSA-N 269.179 -0.415 50 20 CBGD COCCO[C@H]1CCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1261791908 FIUXGKOIOBWCLP-JTQLQIEISA-N 297.315 -0.499 50 20 CBGD CN(C)C(=O)CCCNC(=O)NNC(=O)c1ccc[nH]1 1317964341 ONNUMBHAWPJVKO-UHFFFAOYSA-N 281.316 -0.173 50 20 CBGD CN(C)C(=O)NNC(=O)CSc1nncs1 1318042968 JPMNLMBOFBFRLC-UHFFFAOYSA-N 261.332 -0.067 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@H](C)S(C)(=O)=O 1318068778 LCPREOHRHAAXHA-LURJTMIESA-N 251.308 -0.842 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 1320224702 VDCWJQSXAAXKOU-UHFFFAOYSA-N 288.267 -0.627 50 20 CBGD O=C(CCO)NNC(=O)Nc1cnn(C(F)F)c1 1320567140 PCJIAZQPCSWRAN-UHFFFAOYSA-N 263.204 -0.187 50 20 CBGD C[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)C[C@H]1C(=O)O 1326186614 AKKOCNZDHHYHPZ-PSASIEDQSA-N 283.328 -0.414 50 20 CBGD CN(C[C@@H]1CCOC1)C(=O)NNC(=O)c1cn[nH]c1 1331313061 QXVPBEVPOOTWQB-QMMMGPOBSA-N 267.289 -0.268 50 20 CBGD O=C(c1cccnc1-n1cccn1)N1CC[C@@H](B(O)O)C1 1331825897 FEEPRTHIVMIAIG-SNVBAGLBSA-N 286.100 -0.044 50 20 CBGD Cn1cc(C(=O)NNC(=O)CO)c(C(F)(F)F)c1 1337815086 SIOZATWLIKJHON-UHFFFAOYSA-N 265.191 -0.203 50 20 CBGD C[C@@H]1COC[C@H]1NC(=O)NNC(=O)C1CCNCC1 1338695923 IRWBBHJCJJVSNA-PSASIEDQSA-N 270.333 -0.649 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1nccn1C 1347048886 XHUBJNLBDFEMDJ-ZJUUUORDSA-N 280.328 -0.075 50 20 CBGD CN(CCCn1ccnc1)C(=O)NNC(=O)c1cn[nH]c1 1351351264 CHIWWNYXADPFJC-UHFFFAOYSA-N 291.315 -0.017 50 20 CBGD Nc1ncccc1C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1 1549318614 QAKXTMNXUNVWSS-NWDGAFQWSA-N 289.339 -0.023 50 20 CBGD CCN(C(=O)c1cccc(B(O)O)c1)[C@H]1CCCNC1 1577646044 FNZUUXLRTUBURR-ZDUSSCGKSA-N 276.145 -0.420 50 20 CBGD O=C(NNC(=O)c1ccccn1)C1=NO[C@@]2(CCNC2)C1 1580736868 AISJYUVFGURURC-ZDUSSCGKSA-N 289.295 -0.649 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNc1ncccc1C(=O)O 1588499532 PLHPNXGMMZPHQV-ZCFIWIBFSA-N 266.257 -0.253 50 20 CBGD C[C@H](O)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1591769897 BUTBWZMMTQHOEL-LURJTMIESA-N 276.256 -0.992 50 20 CBGD O=C(O)c1ccccc1NNC(=O)[C@]1(O)CCOC1 1602471116 CUAOHCYAZPQSFY-LBPRGKRZSA-N 266.253 -0.021 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2 1606017941 QBVSYYOKQRVGOR-XPXLGCRWSA-N 295.339 -0.392 50 20 CBGD CN(C)CCNC(=S)NNC(=O)c1ccc[nH]1 7011462 KDQAFEFUWDLDDQ-UHFFFAOYSA-N 255.347 -0.315 50 20 CBGD Cc1nnc(NNC(=O)CN2CCCCCC2=O)nc1O 23460927 SXNLJBAWJUKSRD-UHFFFAOYSA-N 294.315 -0.269 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(C(N)=O)cc1 49165835 OEPCQJAAGZVDKE-UHFFFAOYSA-N 250.258 -0.251 50 20 CBGD CNC(=O)NNC(=O)c1ccc(-c2nnn[nH]2)cc1 95296300 VFXJEALYANZYEF-UHFFFAOYSA-N 261.245 -0.560 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCO[C@H](C#N)C1 111229772 DZQFJHDSAPUOFJ-DTWKUNHWSA-N 254.290 -0.843 50 20 CBGD Cn1ncc(C(=O)NNC(=O)C(C)(C)O)c1-n1cccc1 190074716 DNBHEYZLIGDDFN-UHFFFAOYSA-N 291.311 -0.257 50 20 CBGD CN(C)C(=O)CCNC(=O)NNc1nc2ccccn2n1 191146125 WLQZRIYXFQIIOS-UHFFFAOYSA-N 291.315 -0.166 50 20 CBGD CCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)N(C)C 263912918 WEUCGGAEMUDVAO-QMMMGPOBSA-N 288.373 -0.010 50 20 CBGD C#CCNC(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C 272976204 AEKHXJODMUFDRI-MRVPVSSYSA-N 284.316 -0.137 50 20 CBGD NC(=O)NC(=O)CCNS(=O)(=O)CCCCCl 275790830 ODHXDRBMNFCQJC-UHFFFAOYSA-N 285.753 -0.490 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CC[C@@H]1C(=O)OC 285201465 RHQPXEJKCUOPON-YUMQZZPRSA-N 271.342 -0.133 50 20 CBGD Cc1ncccc1CC(=O)NNC(=O)C(C)(C)O 286755209 KFQOQXNDGNWGKM-UHFFFAOYSA-N 251.286 -0.149 50 20 CBGD CCO[C@]1(C(=O)Nc2cccc(B(O)O)c2)CCOC1 405069416 YPSVUDINLCDTID-CYBMUJFWSA-N 279.101 -0.500 50 20 CBGD COC(=O)NNC(=O)Cc1ccc(-n2cnnn2)cc1 495408638 SSSHDGIOLUETMJ-UHFFFAOYSA-N 276.256 -0.408 50 20 CBGD CC[C@@H](C)NC(=O)CCNC(=O)c1cccc(B(O)O)c1 584934837 XVHMVAZNXYTTCU-SNVBAGLBSA-N 292.144 -0.599 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 584974672 WXRVQVOMTVSNPI-LJUAHTATSA-N 293.103 -0.652 50 20 CBGD CN(CCCCO)C(=O)c1ccc(B(O)O)c(F)c1 584979872 IVFGIEWRVVXUMP-UHFFFAOYSA-N 269.081 -0.650 50 20 CBGD O=C(NCc1nc(C2CC2)n[nH]1)c1ccc(B(O)O)cc1 584996087 XGADBQMPZINSHN-UHFFFAOYSA-N 286.100 -0.708 50 20 CBGD C[C@@H](CN1CCCCC1)NCc1ccc(B(O)O)o1 585017951 OUPQSJXPTMELPK-NSHDSACASA-N 266.150 -0.077 50 20 CBGD OC[C@@H](CC(F)(F)F)NCc1ccc(B(O)O)cc1 585032714 ZALMXAKZESDTLG-SNVBAGLBSA-N 277.051 -0.231 50 20 CBGD OCC[C@H](NCc1ccccc1B(O)O)C1CCOCC1 585036081 DHAFSLHNWBAVRA-HNNXBMFYSA-N 293.172 -0.366 50 20 CBGD COC[C@H](NCc1ccccc1B(O)O)[C@H]1CCCO1 585039135 OTRONWMVRLNLMG-UONOGXRCSA-N 279.145 -0.350 50 20 CBGD C[C@H]1Sc2ccc(C(=O)NCB(O)O)cc2NC1=O 585055724 DGVIFZUGFZITBM-ZCFIWIBFSA-N 280.114 -0.139 50 20 CBGD COc1cccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)c1 585056348 NFPQWYOSSUXKPR-VIFPVBQESA-N 285.130 -0.067 50 20 CBGD O=C([C@H]1COCCN1C1CCCC1)N1CC[C@@H](B(O)O)C1 585063915 KHMKYBWNGNRFCB-DGCLKSJQSA-N 296.176 -0.295 50 20 CBGD CCOCC(=O)NNC(=S)NC1CCN(C)CC1 731160697 AIALTTXRGNAJFF-UHFFFAOYSA-N 274.390 -0.388 50 20 CBGD CCOC(=O)[C@H]1CCCCN1CC(=O)NNC(=O)C1CC1 733193513 SXEJGYOCPZUDKZ-LLVKDONJSA-N 297.355 -0.039 50 20 CBGD CCO[C@@H]1C[C@H]1C(=O)NNC(=O)C(=O)NC(CC)CC 740851274 XKKLBJRUTUEKFG-NXEZZACHSA-N 285.344 -0.136 50 20 CBGD COc1ccnc(NNC(=O)[C@H](C)CS(C)(=O)=O)n1 746830386 NZERTWBSQFGKQF-SSDOTTSWSA-N 288.329 -0.391 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C[C@H]2SC(=N)NC2=O)o1 752781703 XEDODMPOWUMTMI-SSDOTTSWSA-N 296.308 -0.095 50 20 CBGD NC(=O)c1ccc(CNC(=O)NNC(=O)C2CCC2)cn1 753939235 INSCDZVMMQUCQZ-UHFFFAOYSA-N 291.311 -0.189 50 20 CBGD O=C(NNC(=O)[C@H]1CN2CCCN1CC2)c1ccccn1 763258854 MVPSFDPLSRWOAN-GFCCVEGCSA-N 289.339 -0.768 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1 764299345 GPKPPWTXRALWEK-UHFFFAOYSA-N 269.232 -0.442 50 20 CBGD Cc1ccc(F)c(NC(=O)C(=O)NNC(=O)CO)c1 764421029 IXVXSLBSCUUTHH-UHFFFAOYSA-N 269.232 -0.788 50 20 CBGD CSCCNC(=S)NNC(=O)c1nonc1C 770248864 VHYCLNJTJMKBDC-UHFFFAOYSA-N 275.359 -0.150 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@]1(C)CCOC1 772314709 IEVNBYRMIWVLQC-PELKAZGASA-N 272.301 -0.098 50 20 CBGD CN(NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)C(N)=O 778418582 NWAWDPXKCCMZJD-UHNVWZDZSA-N 282.222 -0.515 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)NC(C)C)co1 780227560 QJPXXAPOMBDITD-UHFFFAOYSA-N 253.258 -0.126 50 20 CBGD CCNC(=O)NNC(=O)COCc1ccnn1C 785955444 KGPVXJQWPRNVLT-UHFFFAOYSA-N 255.278 -0.713 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](C(=O)OC)[C@H]1C 787325444 QQWVVDNCCQRELC-UTLUCORTSA-N 285.344 -0.184 50 20 CBGD CCNC(=O)NNC(=O)[C@@](C)(O)Cn1c(C)cccc1=O 792085539 OTCHZSMAHZWUGD-ZDUSSCGKSA-N 296.327 -0.742 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)NCC(=O)NCC#N 804868275 BNYBLKGWDIYVAN-UHFFFAOYSA-N 289.295 -0.421 50 20 CBGD O=C(NCC1CC1)NNC(=O)c1cc2n(n1)CCO2 810583688 FVVAEJIPTSTKTA-UHFFFAOYSA-N 265.273 -0.371 50 20 CBGD COC(=O)CNC(=O)NN=Cc1snnc1C 814227181 RFOJMEITBZQTKR-UHFFFAOYSA-N 257.275 -0.347 50 20 CBGD CN(NC(=O)COc1ccc(CO)cc1)C(N)=O 816958400 QEUJHYHEYJOHBA-UHFFFAOYSA-N 253.258 -0.401 50 20 CBGD C[C@H](OCCc1ccccc1)C(=O)NNC(=O)CO 827893426 DMLVNPAEHGFLGI-JTQLQIEISA-N 266.297 -0.226 50 20 CBGD COC(=O)Cn1ccc(NC(=O)NNC(=O)O)n1 831192357 HXNPPGGYIJPVBO-UHFFFAOYSA-N 257.206 -0.640 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@]2(C)CCCCO2)CC1 839733050 HPJIRRSZDFHGIW-CYBMUJFWSA-N 284.360 -0.066 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H]2CC[C@@H](C1)N2 843352436 KZWXXVRWKZNEEQ-AXFHLTTASA-N 268.361 -0.241 50 20 CBGD Cc1cnn(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1 843648791 ZGKQECLHRBQDOJ-VHSXEESVSA-N 266.301 -0.236 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccn(C)n1 843649869 XYGRUIHJQITPNQ-SFYZADRCSA-N 252.274 -0.394 50 20 CBGD CC[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)[C@H](C)O 844146418 MXAAUZCXBABFLB-AATLWQCWSA-N 258.318 -0.034 50 20 CBGD NC(=O)c1ncn(CC(=O)NNC(=O)CC2CCCC2)n1 846633927 VSHXZAQXTNNXIF-UHFFFAOYSA-N 294.315 -0.895 50 20 CBGD Cc1nn(CC(=O)NN(C)C(=O)OC(C)(C)C)c(=O)n1C 848220785 WLFIUTFRXBWAQD-UHFFFAOYSA-N 299.331 -0.212 50 20 CBGD CO[C@@]1(C)C[C@H]1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 852394648 VTCJJWFCEXCKFZ-SREGZZRCSA-N 271.317 -0.081 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@@H](C)[C@](C)(CO)C1 852705451 WWHARHFYFURHGU-MFKMUULPSA-N 271.361 -0.260 50 20 CBGD CNC(=S)N(C)NC(=O)C(=O)NCc1ccc(F)cc1 854924951 YCGZOMANUNLVBM-UHFFFAOYSA-N 298.343 -0.091 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@@H]1CCNC1=O)C1CC1 855095619 NGYKWSVPBRWLKD-POYBYMJQSA-N 270.358 -0.584 50 20 CBGD CCC(CC)(CO)C(=O)NNC(=O)c1cc[nH]n1 855355437 YLLPVMWUIVVSTR-UHFFFAOYSA-N 254.290 -0.031 50 20 CBGD O=C(CCCn1ccnc1)NNC(=O)c1cn[nH]c1 862471386 CFCHKASUATXOPX-UHFFFAOYSA-N 262.273 -0.152 50 20 CBGD CC[C@@H](C)NC(=S)NNC(=O)[C@H]1CCC(=O)N1 863204164 RLDKXHDHODEFDS-RNFRBKRXSA-N 258.347 -0.441 50 20 CBGD CC1(OCC(=O)NNC(=O)CS(C)(=O)=O)CCC1 863464582 QQAFHXFINJMRJV-UHFFFAOYSA-N 278.330 -0.862 50 20 CBGD CC[C@@H](NC(=O)c1cccc(B(O)O)c1)C(OC)OC 863880450 ZYYQUEOAUIKOGZ-LLVKDONJSA-N 281.117 -0.506 50 20 CBGD CC(C)(C#N)CNC(=O)c1cc(B(O)O)ccc1F 867319754 OQVMJSBUHCNSRI-UHFFFAOYSA-N 264.065 -0.215 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 871595440 FNDZLKBTJCTDCE-SNVBAGLBSA-N 277.280 -0.265 50 20 CBGD CC[C@H](O)[C@@H](C)C(=O)NNC(=O)NCCCOC 900385021 PJMKSFUSNYXFAB-BDAKNGLRSA-N 261.322 -0.240 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccc(S(C)(=O)=O)o1 910168329 SHXMJZLYLBQOIW-SSDOTTSWSA-N 276.314 -0.360 50 20 CBGD Cc1cc(F)ncc1C(=O)NNC(=O)CN1CCCC1=O 913729979 GUASZKOTUAJRAH-UHFFFAOYSA-N 294.286 -0.087 50 20 CBGD CC[C@@H]1CC[C@@H](C(=O)NNC(=O)CN2CCCC2=O)O1 913731265 AWSQVSNKIBEAQH-ZJUUUORDSA-N 283.328 -0.286 50 20 CBGD O=C(Cn1ccccc1=O)NNC(=O)N=c1cc[nH]cc1 919897037 UPNPCYCPEIXKFL-UHFFFAOYSA-N 287.279 -0.482 50 20 CBGD COC(=O)c1ccc(F)c(S(=O)(=O)NNC(C)=O)c1 920308366 GQOVSJUAIGYVKQ-UHFFFAOYSA-N 290.272 -0.058 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2ccncc2)N1 1118810777 MPJPQXPLBWQWTO-VIFPVBQESA-N 277.284 -0.809 50 20 CBGD O=C(Cc1ccc(F)cn1)NNC(=O)[C@@H]1CCC(=O)N1 1119255074 PXWHICXGKLYIQM-VIFPVBQESA-N 280.259 -0.811 50 20 CBGD O=C(CCO)NNC(=O)Nc1ccc2c(c1)C(=O)NCC2 1254981295 OVUZGMUABDTCDO-UHFFFAOYSA-N 292.295 -0.492 50 20 CBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)C2CCOCC2)CO1 1262031212 KOCVEUKUIMABFU-PSASIEDQSA-N 256.302 -0.015 50 20 CBGD O=C(CCl)NCCS(=O)(=O)N1CCOCC1 1320466223 GYYQVQLIIGIQMZ-UHFFFAOYSA-N 270.738 -0.997 50 20 CBGD O=C(CN1CCC(=O)NC1=O)NNc1ccnc(F)c1 1323613206 WZUFUPLOPBWQHE-UHFFFAOYSA-N 281.247 -0.394 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1nc(C)cs1 1325539417 MGSCTOCXUJEMBC-UHFFFAOYSA-N 258.259 -0.223 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccc(F)nc1 1325555403 SDWRUBFTMQJMDB-UHFFFAOYSA-N 256.193 -0.454 50 20 CBGD CCC1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCOCC1 1331802584 FFIXOEPVMDQROI-VIFPVBQESA-N 283.328 -0.381 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(C#N)CCOCC1 1332471037 UAKQJYYZISVIEY-NXEZZACHSA-N 281.312 -0.121 50 20 CBGD CN(C)N(C(=O)c1cc(=O)cc[nH]1)[C@H]1CCS(=O)(=O)C1 1342459418 UMIPBMRUHVBRQI-VIFPVBQESA-N 299.352 -0.519 50 20 CBGD CCn1cc(CNC(=O)NNC(=O)c2cn[nH]c2)cn1 1348110600 LKCHPRFNLJYXRS-UHFFFAOYSA-N 277.288 -0.230 50 20 CBGD C[C@]1(C(=O)NNC(=O)C2CCC2)C[C@@H](N)CCO1 1576350184 MCBCVUXQZSOLBK-JOYOIKCWSA-N 255.318 -0.170 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H]1C[C@H]1C(=O)O 1594644083 LCDCDNAQENPBQX-UYXSQOIJSA-N 285.300 -0.538 50 20 CBGD O=C(O)c1cncc(NC(=O)c2cccc(B(O)O)c2)c1 1595272029 XCUWMPFBBZZNQG-UHFFFAOYSA-N 286.052 -0.288 50 20 CBGD O=C(NC1(C(=O)O)CCC1)c1cccc(B(O)O)c1 1601429216 KNAHTXZKRZCGBS-UHFFFAOYSA-N 263.058 -0.897 50 20 CBGD O=C(O)COCCNC(=O)NNc1ccccn1 1602079841 JLTKHGKXZSYZQM-UHFFFAOYSA-N 254.246 -0.191 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCC[C@@H](C(=O)O)C1=O 1603706381 QSWCQVMDNQMHFB-MRVPVSSYSA-N 285.300 -0.887 50 20 CBGD NC[C@@H]1CCN(CC(=O)NNC(=O)c2ccccc2)C1 50248894 RMGVZSYPVSLKNA-NSHDSACASA-N 276.340 -0.272 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1ccccc1O 61476814 BCZCMGNVSAXNKB-UHFFFAOYSA-N 277.280 -0.224 50 20 CBGD CC(C)NC(=O)CCCC(=O)NNC(=O)CN(C)C 113423531 VXUZTSNMPLQOMW-UHFFFAOYSA-N 272.349 -0.610 50 20 CBGD O=C(NNc1ccc(Cl)nn1)[C@@H]1COCCO1 172439851 MUAXTIOAMPXJIE-LURJTMIESA-N 258.665 -0.012 50 20 CBGD COC(=O)C(C)(C)NCC(=O)NNC(=O)c1ccccc1 272132889 RZDLVIDFLXQTSL-UHFFFAOYSA-N 293.323 -0.011 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)[C@H]2CCCC(=O)N2)n1 273513914 PPOLZBRGIGKVFD-RXMQYKEDSA-N 284.707 -0.176 50 20 CBGD C=CCCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 273543038 XHPOXBDMMLVFHW-SSDOTTSWSA-N 263.319 -0.962 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1CCCC(=O)N1 274087269 MOKPLNNCVVVIPI-ZETCQYMHSA-N 265.273 -0.403 50 20 CBGD COC(=O)NNC(=O)[C@@H](C)n1nnnc1C(C)(C)C 274177934 CLTFPHYIFPLNKO-ZCFIWIBFSA-N 270.293 -0.081 50 20 CBGD O=C(O)CCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 274362609 SPCBUXPQYCQCAM-JTQLQIEISA-N 294.263 -0.161 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)C(C)(C)O)ccn1 276192795 DXUXLRDUYAWYCU-UHFFFAOYSA-N 281.268 -0.600 50 20 CBGD Cc1noc(C)c1CC(=O)NNC(=O)N1CCN(C)CC1 278768578 XZXDVROIDQHUPA-UHFFFAOYSA-N 295.343 -0.178 50 20 CBGD NC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)c2ccccc2F)O1 279748320 XVPHKLXJBPHWGS-NXEZZACHSA-N 295.270 -0.380 50 20 CBGD COCCN(C)NC(=O)c1nc2nc(C)cc(C)n2n1 288448927 JDKNTELHZURBHF-UHFFFAOYSA-N 278.316 -0.036 50 20 CBGD C[C@H]1CCNC(=O)[C@@H]1NC(=O)NNc1ncncc1F 293384446 OJSVZMCETPHIEX-POYBYMJQSA-N 282.279 -0.234 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccnn2C)O1 293951083 QCKSHIVMIMZYQW-CBAPKCEASA-N 252.274 -0.251 50 20 CBGD CN1C[C@H](C(=O)NNC(=O)c2ccncc2)CC1=O 298340081 KBWQYGJBBRHRQQ-SECBINFHSA-N 262.269 -0.679 50 20 CBGD CCOC(=O)NCCCC(=O)NNc1nnc(C)c(O)n1 493832039 PFDZYAFRLINJED-UHFFFAOYSA-N 298.303 -0.145 50 20 CBGD CC(C)(C)C[C@H](O)CNC(=O)c1ccc(B(O)O)cc1 584948721 ODOYWAUECKOLAN-LBPRGKRZSA-N 279.145 -0.107 50 20 CBGD C[C@H](O)CCN(C)C(=O)c1cc(B(O)O)ccc1F 584957827 RZOFYQWVZKPEAW-QMMMGPOBSA-N 269.081 -0.652 50 20 CBGD CN1CC=C(CCNC(=O)c2cccc(B(O)O)c2)CC1 584967844 NNNSUBCQXCYJNG-UHFFFAOYSA-N 288.156 -0.252 50 20 CBGD CCN1C[C@@H](C)N(C(=O)c2ccc(B(O)O)cc2)C[C@H]1C 584969267 SONASGROIWGIQO-VXGBXAGGSA-N 290.172 -0.079 50 20 CBGD O=C(NCC12CC(CO1)C2)c1cc(B(O)O)ccc1F 585010505 SWPVEIIHLYFCQP-UHFFFAOYSA-N 279.076 -0.586 50 20 CBGD CN1CCC(O)(CNCc2ccc(B(O)O)cc2F)CC1 585025519 WGCNMJVDVPQPDU-UHFFFAOYSA-N 296.151 -0.948 50 20 CBGD CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCB(O)O 585059662 WGIIZYCEPPEORR-ZJUUUORDSA-N 285.153 -0.665 50 20 CBGD CN(C)CCOc1ccccc1C(=O)NCB(O)O 585059834 CLNFQNNUIKQGIO-UHFFFAOYSA-N 266.106 -0.631 50 20 CBGD O=C(Cn1c(S)nnc1-c1cccs1)NCB(O)O 585060768 JSODEYRQRUFSPH-UHFFFAOYSA-N 298.158 -0.577 50 20 CBGD O=C(O)NCCC(=O)NNC(=O)c1cccnc1 739937954 JMQMLWPWRNHGOF-UHFFFAOYSA-N 252.230 -0.500 50 20 CBGD C[C@H]1COCCN1CC(=O)NNC(=O)C(C)(C)C 744386981 KOINPNYXERNAEE-VIFPVBQESA-N 257.334 -0.099 50 20 CBGD CC(C)[C@H]1C(=O)NCCN1CC(=O)NNC(=O)C(C)(C)C 744397077 ZMADUIZCDGHMIU-NSHDSACASA-N 298.387 -0.364 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)Cc1cc[nH]n1 746293348 RZOOLECCOJHRRX-UHFFFAOYSA-N 281.316 -0.596 50 20 CBGD COCCCNC(=O)NNC(=O)C[C@](C)(O)C1CC1 755663976 FEWURKYPDCFLFO-LBPRGKRZSA-N 273.333 -0.096 50 20 CBGD COCCn1nc(C)c(NC(=O)NNC(=O)COC)c1C 757871032 CPWHJYQYCUZWNM-UHFFFAOYSA-N 299.331 -0.055 50 20 CBGD C[C@@H]1CC[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C1 758050935 DKDKMTQWXXONLK-IWSPIJDZSA-N 291.373 -0.492 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](O)[C@H](CC)C1 761129194 YJLATWOPVNPGLZ-IVZWLZJFSA-N 257.334 -0.365 50 20 CBGD Cc1cc(C)n(CC(=O)NN=C2CCN(C)C2=O)n1 761770291 UOMXJVUSYWWHEW-UHFFFAOYSA-N 263.301 -0.166 50 20 CBGD Cn1ccc2c(NC(=O)C(=O)NNC(=O)CO)cccc21 764422141 QAHKLFSVXSBCAJ-UHFFFAOYSA-N 290.279 -0.744 50 20 CBGD CNC(=O)NNC(=O)[C@@H](O)c1cccc(OC)c1 764874185 MNWAPSMWTRSJQJ-VIFPVBQESA-N 253.258 -0.311 50 20 CBGD Cc1cc(C)nc(NNC(=O)Cn2cnc(C#N)n2)n1 769095582 OJWBWUFCHCQJLN-UHFFFAOYSA-N 272.272 -0.300 50 20 CBGD CN(NC(=O)c1cccnc1-n1cccn1)C(N)=O 770436773 QCTBDIWHRTXPNR-UHFFFAOYSA-N 260.257 -0.077 50 20 CBGD CC(=O)NNC(=O)COCCNC(=O)c1ccccc1 784605640 AVWZSJIEOAQALJ-UHFFFAOYSA-N 279.296 -0.400 50 20 CBGD COc1cccc(C[C@@H](O)C(=O)NNC(=O)N(C)C)c1 785408220 ISSCFYBZOPMXGL-LLVKDONJSA-N 281.312 -0.099 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2nccn2C1)NC1CC1 786828763 ZIIPPSBYHWVOQV-QMMMGPOBSA-N 263.301 -0.062 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CC12CCOCC2 787949792 HXSNWCQTBRTMSC-MRVPVSSYSA-N 256.302 -0.279 50 20 CBGD COC(=O)c1cc(/C=C(\C#N)S(N)(=O)=O)c[nH]1 799893579 IWWOMSNMDROPQV-FARCUNLSSA-N 255.255 -0.046 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@](C)(O)C1CC1 804398398 WWNCHIFTAWMJSK-ZDUSSCGKSA-N 285.344 -0.400 50 20 CBGD O=C(CCN1C(=O)CCC1=O)NNc1ncncc1F 817083246 DIOQGFFVTZUASL-UHFFFAOYSA-N 281.247 -0.402 50 20 CBGD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NN 825644871 JAPBDDBCRFWOBD-ZCFIWIBFSA-N 256.266 -0.183 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843647306 YLSTUWWWKBGGJV-CBAPKCEASA-N 257.290 -0.963 50 20 CBGD CCCN(C)CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843976203 WCHGTGGFODMXDS-ZJUUUORDSA-N 257.334 -0.099 50 20 CBGD NC(=O)[C@]1(NS(=O)(=O)CCCCCl)CCOC1 848503763 OURXXLXCGXRNDE-VIFPVBQESA-N 284.765 -0.431 50 20 CBGD C[C@@H]1CN(S(=O)(=O)CBr)C[C@H]1N 850586652 BDMAJEMIKGYHEE-PHDIDXHHSA-N 257.153 -0.052 50 20 CBGD O=C(Cn1cnnn1)NNc1ncc(F)cc1F 857532708 VJKMUMLVVKTXQR-UHFFFAOYSA-N 255.188 -0.510 50 20 CBGD CO[C@H](C1CC1)[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858522015 VNQAAXJGRVAIMW-HDBBIHSSSA-N 298.343 -0.591 50 20 CBGD CC[C@@]1(C)CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 858699686 WLPGPKMNXXSYTA-RNCFNFMXSA-N 298.343 -0.493 50 20 CBGD CCCNC(=O)NNC(=O)[C@H](NC(C)=O)C(C)C 858808705 KQMLHEAPDSIQNC-SECBINFHSA-N 258.322 -0.113 50 20 CBGD C#C[C@@H](NCc1cccc(B(O)O)c1)[C@H]1CCCO1 863890627 AYAQELCDBNZLES-ZIAGYGMSSA-N 259.114 -0.363 50 20 CBGD CCOC(=O)[C@H](C)NC(=O)c1cc(B(O)O)ccc1F 864980128 CYLDGHZZOOOAMX-ZETCQYMHSA-N 283.064 -0.813 50 20 CBGD COC(=O)N1CCC[C@@H](NCc2ccccc2B(O)O)C1 876997186 PPHIQXGIVJJEJZ-GFCCVEGCSA-N 292.144 -0.313 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)c2cccnn2)CO1 882057552 YGCSAFGOVCWTLA-SFYZADRCSA-N 250.258 -0.337 50 20 CBGD COC(=O)[C@@H]1CC[C@H](NC(=O)c2cccc(B(O)O)c2)C1 926521372 SLGGBSOFRLWSRH-PWSUYJOCSA-N 291.112 -0.562 50 20 CBGD N#Cc1ncn(CC(=O)NNc2ncncc2Cl)n1 1116711527 QYKOQQQLYBORBA-UHFFFAOYSA-N 278.663 -0.264 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)nn1 1118228972 VDQQESQQLZPIIG-KXUCPTDWSA-N 293.283 -0.620 50 20 CBGD CC(C)(C)C(=O)NCCNC(=O)NNC(=O)c1cn[nH]c1 1261789161 VRSMPYHGFYKTBJ-UHFFFAOYSA-N 296.331 -0.484 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccc(OC)nc1 1318883583 ZTSNCQKRQIPIDL-UHFFFAOYSA-N 282.256 -0.906 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1cccc([N+](=O)[O-])c1 1319004879 ZOIQBVPZQDEYFB-UHFFFAOYSA-N 296.239 -0.402 50 20 CBGD CNC(=O)C1(C(=O)NNc2ncc(F)cn2)CC1 1323085167 PZGLXDPMDJLODQ-UHFFFAOYSA-N 253.237 -0.415 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C1CCC1 1324392816 WONGTUKHGNWUQU-VIFPVBQESA-N 263.301 -0.212 50 20 CBGD CC(C)C(=O)NNC(=O)CSc1nncn1C 1324675942 DRLPZOACMVIXRY-UHFFFAOYSA-N 257.319 -0.289 50 20 CBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ncc(F)cn1 1329906513 WSRCVSOKZMARDZ-RNFRBKRXSA-N 253.237 -0.430 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@H]2CN(C)CCO2)cc1 1330269412 COUKEDXIXVEPQB-GFCCVEGCSA-N 293.323 -0.213 50 20 CBGD Cc1nnc(NNC(=O)[C@@H](NC=O)C(C)C)nc1O 1331869576 UOWVNUYAYSEUAA-ZETCQYMHSA-N 268.277 -0.901 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCC2CC2)n(C)c1=O 1331902111 ZWEZEWYIZGCUQH-UHFFFAOYSA-N 267.289 -0.922 50 20 CBGD CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1337369851 MKHNLOBULCUJCM-DJLDLDEBSA-N 269.301 -0.773 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccnc(O)c1 1342877923 YKZMQRYDEHPCKK-SSDOTTSWSA-N 281.268 -0.110 50 20 CBGD O=C(NNC(=O)[C@@H]1NCC12CCCC2)c1ncon1 1580736445 STDWTTFRSVIAAW-ZETCQYMHSA-N 265.273 -0.637 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(C(=O)O)CC=CC1 1603480036 NDJXDIQCWPLZED-IUCAKERBSA-N 282.296 -0.020 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)nn1 1608244548 IMOAHSSLFJRNRD-NKWVEPMBSA-N 293.283 -0.481 50 20 CBGD O=C(O)CCCCC(=O)NNC(=O)c1cn[nH]c1 1608710077 VPRRQEIAWKCLSW-UHFFFAOYSA-N 254.246 -0.184 50 20 CBGD CC[C@H](C(=O)O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 1609886507 NDIHFHWHRVBRGR-FXQIFTODSA-N 258.274 -0.330 50 20 CBGD Cc1cccc(C(=O)NNC(=O)COCC(=O)O)n1 1610518760 WDEFSQDVJWVRMF-UHFFFAOYSA-N 267.241 -0.748 50 20 CBGD O=C(CNc1ccccc1)NNC(=O)c1c[nH]nn1 104830835 CRZDNKRPRYAXIY-UHFFFAOYSA-N 260.257 -0.322 50 20 CBGD CC(C)[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)N(C)C 106913556 OVMUILJCMGEEOT-SNVBAGLBSA-N 284.360 -0.658 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](CNC(C)=O)C1 111207920 XTHJSBYYJMZBRX-ZYHUDNBSSA-N 298.387 -0.220 50 20 CBGD CC[C@H](C(=O)NNC(=O)NCCCOC)N(C)C 165401037 BGNPSDOTKJSIQE-SECBINFHSA-N 260.338 -0.307 50 20 CBGD CN1CCN(C)[C@@H](CNS(=O)(=O)CCl)C1 225369506 OVIRNSQOVJCFSM-QMMMGPOBSA-N 255.771 -0.652 50 20 CBGD CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccnn1C 263839645 HXWBRCMZXSQGOS-SSDOTTSWSA-N 260.319 -0.224 50 20 CBGD COc1cccc(NNC(=O)CSCC(N)=O)n1 272493658 FFPCGTUUMKHQFH-UHFFFAOYSA-N 270.314 -0.248 50 20 CBGD Cc1cccc(C(=O)NNC(=O)C2(NC(N)=O)CC2)n1 279760123 FEQFJSRJEHWLEG-UHFFFAOYSA-N 277.284 -0.648 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(=O)n(C)c2)O1 294022157 WTAOVQFEJAQCQU-WPRPVWTQSA-N 279.296 -0.286 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCO1)c1ccc2[nH]nnc2c1 294170974 WCYKUQKKORFNBM-JTQLQIEISA-N 275.268 -0.102 50 20 CBGD CN(NC(=O)[C@]1(O)CCc2ccccc2C1)C(N)=O 367062324 LVSIPIKHHAWYTI-ZDUSSCGKSA-N 263.297 -0.052 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCc2nc[nH]c2C1 584911807 NGHOPDWKUQESQK-SECBINFHSA-N 285.112 -0.167 50 20 CBGD C[C@@H](C#N)CN(C)C(=O)c1cc(B(O)O)ccc1F 584935091 YENLEYJOFBUAQU-QMMMGPOBSA-N 264.065 -0.263 50 20 CBGD CC(C)[C@@H](O)CCNC(=O)c1ccc(B(O)O)cc1 584949287 DFSZBRAGIYPFKU-LBPRGKRZSA-N 265.118 -0.497 50 20 CBGD CN(C)[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)CC1 584981357 CKYWHXYYQRRADC-AWEZNQCLSA-N 290.172 -0.077 50 20 CBGD C=CCN(C)CCN(CC)C(=O)c1ccc(B(O)O)cc1 584981828 IMOBAYBQROJYMF-UHFFFAOYSA-N 290.172 -0.054 50 20 CBGD Cc1nn(C)cc1[C@@H](C)NCc1ccc(B(O)O)o1 585021541 BFAWOQRNQJNDSQ-MRVPVSSYSA-N 263.106 -0.148 50 20 CBGD CC(C)[C@@H](O)CNCc1ccc(B(O)O)cc1F 585025614 YPXWLZUMVKRBPM-LBPRGKRZSA-N 255.098 -0.388 50 20 CBGD CC(C)(C)N1C[C@@H](C(=O)N2CC[C@@H](B(O)O)C2)CC1=O 585074794 CQDCMCCBKRPGAY-VHSXEESVSA-N 282.149 -0.291 50 20 CBGD Cn1cccc1C=NNC(=O)[C@H]1CCS(=O)(=O)C1 730575671 GBVNVLAAORDIME-VIFPVBQESA-N 269.326 -0.090 50 20 CBGD CC(=O)N1CCC[C@@H](C(=O)NNC(=O)N2CCOCC2)C1 745991669 CAIGQQSRUVZFKQ-LLVKDONJSA-N 298.343 -0.682 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 746005942 DPTRGTIIZRPGCM-MRVPVSSYSA-N 270.333 -0.064 50 20 CBGD N#Cc1ccc(NNC(=O)CN2CCC(=O)NC2=O)cc1 748106410 OPZIAYIEPVNRRJ-UHFFFAOYSA-N 287.279 -0.057 50 20 CBGD O=C(CO)NNC(=O)Nc1ccn(Cc2ccncc2)n1 756649409 GYYIDNGLTDEEGJ-UHFFFAOYSA-N 290.283 -0.529 50 20 CBGD Cc1cc(C(=O)NNC(=S)NCCN(C)C)n[nH]1 764496782 BHKRHJFRUGMDQA-UHFFFAOYSA-N 270.362 -0.611 50 20 CBGD CC(=O)NNC(=O)CCOc1cccc(C(N)=O)c1 765989492 BDWWRFCIUHUXMV-UHFFFAOYSA-N 265.269 -0.278 50 20 CBGD COC(=O)Cc1cccc(C(=O)NNC(=O)C(C)(C)O)c1 768259376 LRQVMDDCAHYATI-UHFFFAOYSA-N 294.307 -0.066 50 20 CBGD CN(NC(=O)Cc1cnn(-c2ccccc2)n1)C(N)=O 778415075 OAHAJJHLXWJYQG-UHFFFAOYSA-N 274.284 -0.149 50 20 CBGD CCCN(C)CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 792850599 OZUBRPUUGLCWBQ-NSHDSACASA-N 291.417 -0.180 50 20 CBGD CC(C)[C@@H](O)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 792856396 YDHGLRBMAVRQSW-NXEZZACHSA-N 278.374 -0.504 50 20 CBGD Cc1cc(C)n(CCC(=O)NNC(=O)C(=O)NC2CC2)n1 794157322 FSEYXDLEVYRIMR-UHFFFAOYSA-N 293.327 -0.684 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(N)nc1 807970458 KPUJPVOMTHVGFB-ZETCQYMHSA-N 285.329 -0.948 50 20 CBGD Cc1nn(C)c(C)c1OCC(=O)NNc1nc[nH]n1 816633792 MWMUACGNVSXIKG-UHFFFAOYSA-N 265.277 -0.323 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](CO)OC(C)(C)C1 817279123 ITTDTNALLQFGDY-UWVGGRQHSA-N 287.360 -0.596 50 20 CBGD C[C@@H](CNS(=O)(=O)CCl)CN1CCN(C)CC1 820792967 NATGDEHIURVTNZ-JTQLQIEISA-N 283.825 -0.014 50 20 CBGD CCCNC(=O)NNC(=O)[C@H](C)NS(=O)(=O)CC 823950598 INFOIRZUDMPLTR-ZETCQYMHSA-N 280.350 -0.945 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cc[nH]n1 825795457 LGSSXTVZRNGZGV-IONNQARKSA-N 267.289 -0.335 50 20 CBGD C[C@H](N)[C@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 843354311 YBGFXESLRMPUCL-ONGXEEELSA-N 268.361 -0.397 50 20 CBGD CN1CCN(CC(=O)NCCCSC#N)CC1 854362328 KCSUYVRZYQLTDD-UHFFFAOYSA-N 256.375 -0.046 50 20 CBGD CN1C(=O)CC[C@@H]1CC(=O)NNC(=O)N=c1cc[nH]cc1 854377067 GKUGUNOTWMHMIN-SNVBAGLBSA-N 291.311 -0.333 50 20 CBGD C[C@]1(CNC(=O)Cn2cnnn2)C[C@@H]1Br 857690361 RXZDUZAVRVORMD-POYBYMJQSA-N 274.122 -0.037 50 20 CBGD CO[C@@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CC1 858493014 ZRZVWOHZNRJNTC-BDAKNGLRSA-N 284.316 -0.980 50 20 CBGD CCCCNC(=O)NNC(=O)Cn1cc(C(=O)OC)cn1 858778474 KGYFJXZYOPDRJB-UHFFFAOYSA-N 297.315 -0.200 50 20 CBGD COCCC1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 862457099 AXURXUXUKAEVEW-QMMMGPOBSA-N 269.301 -0.771 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc3c([nH]2)CCCC3)N1 862461238 ONNCZCCQLJEVMZ-SNVBAGLBSA-N 290.323 -0.067 50 20 CBGD O=C(CCCC1CC1)NNC(=O)[C@H]1CCC(=O)N1 862461259 JHDWBTLDQIZPEQ-SECBINFHSA-N 253.302 -0.007 50 20 CBGD C#Cc1ccccc1CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862461609 KQOJGMKYKBTBEY-GFCCVEGCSA-N 285.303 -0.364 50 20 CBGD CN(CC(=O)NNC(=O)CS(C)(=O)=O)c1ccccc1 863459975 KSOBYZUMBWUNQX-UHFFFAOYSA-N 299.352 -0.685 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@H](CCO)C1 866805931 CDCMGUWDRRYSKQ-NSHDSACASA-N 277.129 -0.399 50 20 CBGD CC[C@@H](NC(C)=O)C(=O)NNc1ccnc(N(C)C)n1 878918084 DZUSJUFMBZZMFT-SECBINFHSA-N 280.332 -0.100 50 20 CBGD CCCN1C[C@@H](C(=O)NNC(=O)C2CCOCC2)CC1=O 883072020 WJHHODNNJCIOQV-NSHDSACASA-N 297.355 -0.181 50 20 CBGD C[C@@]1(C(=O)NOCC(N)=O)C[C@@H]1Br 907213614 GVBRBDXBLWFSAI-MHTLYPKNSA-N 251.080 -0.307 50 20 CBGD Cc1cnn(CCC(=O)NNC(=O)CN2CCCC2=O)c1 920432984 MJDHDAUEXOUYMJ-UHFFFAOYSA-N 293.327 -0.649 50 20 CBGD C[C@H]1C[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)CCN1C 1116168612 OCNMRUZNSBBZSM-WCBMZHEXSA-N 297.359 -0.922 50 20 CBGD CN(NC(=O)c1ccc2c(c1)NC(=O)CO2)C(N)=O 1116449987 ZYZVQQYCPJVIOR-UHFFFAOYSA-N 264.241 -0.327 50 20 CBGD Cc1c(C(=O)NNC(=O)N(C)C)nnn1-c1ccn(C)n1 1117736613 UDFJZBLNDBVJSL-UHFFFAOYSA-N 292.303 -0.775 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)[C@H]1CCCOC1 1118806340 VCZDTYDXXMURFF-GUBZILKMSA-N 298.343 -0.590 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@@H]1C1CC1)[C@@H]1CCS(=O)(=O)C1 1261232850 WDQTUQDMLRTGRW-BBBLOLIVSA-N 286.353 -0.385 50 20 CBGD CNC(=O)COc1cccc(CC(=O)NNC(=O)NC)c1 1319416588 JLUDOFMRCFBSEN-UHFFFAOYSA-N 294.311 -0.686 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cc(C(C)C)on1 1320232005 HLININWNZFZPGR-UHFFFAOYSA-N 284.272 -0.470 50 20 CBGD CN(C)C(=O)CNC(=O)C(=O)NNc1ccc(Cl)nc1 1320580596 WGXNJUKBERUCPS-UHFFFAOYSA-N 299.718 -0.618 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccncn1 1326768087 ZXUARKGTFINUHD-WCBMZHEXSA-N 279.300 -0.268 50 20 CBGD COCC(=O)NCCC(=O)NNc1cccc(F)n1 1328642377 YBSVNAUWBYEHOB-UHFFFAOYSA-N 270.264 -0.184 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](C)COCC1CC1 1329637705 WATPTQOPPSJCES-SSDOTTSWSA-N 273.289 -0.695 50 20 CBGD COCCn1cc(NC(=O)NNC(=O)COC)ccc1=O 1337778580 AYBDVLGBAUXMBY-UHFFFAOYSA-N 298.299 -0.706 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1NCC[C@@H]2CCCC[C@@H]21 1578413457 PBNREQPWTZCNGV-GMXVVIOVSA-N 282.388 -0.136 50 20 CBGD C[C@H]1CC[C@@H](C(=O)O)CN1C(=O)c1ccc(B(O)O)cc1 1589302721 KJLMXMKZWHUDRG-GXSJLCMTSA-N 291.112 -0.308 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)c1ccc(C)o1 1593911680 PBIPYRAEGNQFQR-SSDOTTSWSA-N 256.214 -0.551 50 20 CBGD COc1ccc(NC(=O)NNC(=O)[C@H](OC)C(=O)O)cc1 1594105894 FLSJYGCDZCHHPD-VIFPVBQESA-N 297.267 -0.053 50 20 CBGD NC(=O)c1ccc(NNC(=O)C23CC(C(=O)O)(C2)C3)nn1 1601167172 NVHSNJLFHTUARM-UHFFFAOYSA-N 291.267 -0.727 50 20 CBGD O=C(N[C@H](CC1CC1)C(=O)O)c1cc(B(O)O)ccc1F 1601407976 XCKKKEROWJSWEK-LLVKDONJSA-N 295.075 -0.511 50 20 CBGD O=C(NNC(=O)c1ncccn1)c1ccnc(C(=O)O)c1 1601557318 KETRJESTOWKWIS-UHFFFAOYSA-N 287.235 -0.355 50 20 CBGD O=C(O)c1cc(C(=O)NNC(=O)C2CCC2)on1 1602247139 MIFXMEFNXREXKD-UHFFFAOYSA-N 253.214 -0.066 50 20 CBGD COC(=O)N(C)NC(=O)Cc1noc(C)c1-c1nn[nH]n1 1609300290 LVKGMHIYXZAZCO-UHFFFAOYSA-N 295.259 -0.565 50 20 CBGD CCOC(=O)CC(=O)NNC(=O)c1ccccn1 58168155 PXUMFLACOYRBNG-UHFFFAOYSA-N 251.242 -0.204 50 20 CBGD COc1ncccc1C(=O)NNC(=O)Cc1cc[nH]n1 106417983 MSTUCLXZQDYXRH-UHFFFAOYSA-N 275.268 -0.183 50 20 CBGD COc1ccccc1C(=O)NNS(=O)(=O)N(C)C 266061696 VEVJCTMFIAQYKE-UHFFFAOYSA-N 273.314 -0.264 50 20 CBGD C=CCS(=O)(=O)CCNC(=O)NNC(=O)CC(C)C 272963915 MEYZSRILBIFLQY-UHFFFAOYSA-N 291.373 -0.036 50 20 CBGD NC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccccc2F)O1 279748324 XVPHKLXJBPHWGS-ZJUUUORDSA-N 295.270 -0.380 50 20 CBGD O=C(NCCC(=O)N1CCCC1)c1cccc(B(O)O)c1 584925778 NZPPRDNIFHKKGO-UHFFFAOYSA-N 290.128 -0.891 50 20 CBGD O=C(N[C@H]1CCN(C2CC2)C1)c1cc(B(O)O)ccc1F 584932986 DHXSYBJHZOTFSL-JTQLQIEISA-N 292.119 -0.528 50 20 CBGD C[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C[C@@H]1O 584970542 PTZOZGBYOCCSOV-CABZTGNLSA-N 263.102 -0.791 50 20 CBGD CCOCCN(C)C(=O)c1cccc(B(O)O)c1 584970560 QFHDGJLOZQAYME-UHFFFAOYSA-N 251.091 -0.525 50 20 CBGD COC1(CNC(=O)c2cc(B(O)O)ccc2F)CCC1 584972522 ZGOTUEHJAHFROA-UHFFFAOYSA-N 281.092 -0.196 50 20 CBGD C[C@H](O)C[C@H](C)NC(=O)c1cc(B(O)O)ccc1F 584972638 CJIPSXAJFOBSLC-YUMQZZPRSA-N 269.081 -0.605 50 20 CBGD C/C=C/C[C@H](CO)NC(=O)c1cc(B(O)O)ccc1F 584978150 QVYJGGXHZYFRKH-VMZHVLLKSA-N 281.092 -0.438 50 20 CBGD CCc1nnc(CNC(=O)c2ccc(B(O)O)cc2)s1 584990995 QNBFRFFENNLDPV-UHFFFAOYSA-N 291.141 -0.290 50 20 CBGD CC1(C)C[C@@]1(C#N)NC(=O)c1ccc(B(O)O)cc1 584991178 VRFOFHFOWVSDKV-ZDUSSCGKSA-N 258.086 -0.212 50 20 CBGD CN(C[C@H]1CCCN1C)C(=O)c1ccc(B(O)O)c(F)c1 585000749 OQLNXIFHLKNFPF-LLVKDONJSA-N 294.135 -0.328 50 20 CBGD CC[C@](C)(O)CNCc1ccc(B(O)O)cc1F 585014764 CTKSPGYNRQHFRI-LBPRGKRZSA-N 255.098 -0.244 50 20 CBGD C[C@H](CNCc1ccc(B(O)O)cc1)CN1CCOCC1 585025290 QHJNEBQGIQAHCH-CYBMUJFWSA-N 292.188 -0.576 50 20 CBGD O=S1(=O)CCCC[C@@H]1CNCc1ccccc1B(O)O 585035514 VLJPLLDZFBRJMR-GFCCVEGCSA-N 297.185 -0.577 50 20 CBGD C=CC[C@@H](CO)NCc1ccc(B(O)O)cc1F 585038815 IFVHENACZQCXFI-NSHDSACASA-N 253.082 -0.468 50 20 CBGD CC[C@@H](NCc1ccc(B(O)O)cc1F)C(=O)NC 585044435 ILKWASDCXWLCIK-LLVKDONJSA-N 268.097 -0.880 50 20 CBGD OB(O)c1cccc(-c2noc(C[C@H]3CCOC3)n2)c1 585052882 ACQCOEPMWAJRHG-SECBINFHSA-N 274.085 -0.005 50 20 CBGD Cn1ncc(N2CC[C@@H](B(O)O)C2)c(Cl)c1=O 585073727 OHWABUOOPDAPHH-ZCFIWIBFSA-N 257.486 -0.513 50 20 CBGD CN(C)c1nccc(NNC(=O)CCNC(=O)O)n1 737383311 BGAKLGFUCOKXSR-UHFFFAOYSA-N 268.277 -0.357 50 20 CBGD CN1CC[C@@H](NC(=O)NNC(=O)C2CCCC2)C1=O 739059582 PKIRIDLRRLEAFB-SECBINFHSA-N 268.317 -0.262 50 20 CBGD COc1ncc(C(=O)NNC(=O)Cc2ccncc2)cn1 747324700 HYJYKKQZVUUUMJ-UHFFFAOYSA-N 287.279 -0.116 50 20 CBGD C[C@H]1CN(C)CC1=NNC(=O)[C@@H]1CCS(=O)(=O)C1 752159464 DAGSFWLUKROKMK-DTWKUNHWSA-N 273.358 -0.525 50 20 CBGD COc1ccc(OCC(=O)NNC(=O)CO)cc1C 753451635 GNMCLICHOUNUEG-UHFFFAOYSA-N 268.269 -0.478 50 20 CBGD C#CC(=O)NNC(=O)Cc1nc2ccccc2n1C 753889581 QHLPNZXEJLMSBM-UHFFFAOYSA-N 256.265 -0.104 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@@H]2COCCO2)nc1 759729321 HUIMFTUTEQFWOW-VIFPVBQESA-N 281.268 -0.273 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](C)[S@@](=O)CC1 759870321 RBPSZOQFKPSAIR-GJPGNPISSA-N 289.401 -0.225 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1cccc2nonc12 765060418 SFWAMURCFVMXHN-UHFFFAOYSA-N 285.285 -0.265 50 20 CBGD O=C(NNc1ncc(F)cn1)[C@@H]1CN2CCCN1CC2 765312090 VELZVDUHMDRBGY-JTQLQIEISA-N 280.307 -0.551 50 20 CBGD CC(=O)[C@@H]1C[C@H](CC(=O)NNC(=O)CO)C1(C)C 776189087 ZYWVTASOXOCGPA-BDAKNGLRSA-N 256.302 -0.233 50 20 CBGD CCNC(=O)N(C)NC(=O)Nc1nccn(C)c1=O 785862328 QZMFPKLXRAIYNF-UHFFFAOYSA-N 268.277 -0.522 50 20 CBGD C=CCNC(=S)NNC(=O)[C@]1(O)CCSC1 798306601 NCQPWDDWZMAOPG-VIFPVBQESA-N 261.372 -0.464 50 20 CBGD O=C(COc1ccccc1)NCC(=O)NNc1nc[nH]n1 816632651 SMDUKYJTCXJNGZ-UHFFFAOYSA-N 290.283 -0.557 50 20 CBGD CCO/C=C(/C#N)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)O 820377837 LHFNTVSKWSNLOI-ANHFWZFOSA-N 297.311 -0.132 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CC(c2cn(C)nc2C)=NO1 823377758 XRNTYIHNBAKYEK-GFCCVEGCSA-N 295.343 -0.433 50 20 CBGD C[C@H](CO)N(C)NC(=O)CS(=O)(=O)C(C)(C)C 823939630 MZANXVRXNMDIJS-MRVPVSSYSA-N 266.363 -0.457 50 20 CBGD CCN(CC)S(=O)(=O)CC(=O)NN(C)[C@H](C)CO 823959791 PNBUSGUERORPPR-SECBINFHSA-N 281.378 -0.998 50 20 CBGD CC(C)(O)C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 827749085 QLYVAGBNJGEBKC-UHFFFAOYSA-N 291.156 -0.011 50 20 CBGD COCCOCC(=O)NNC(=O)C1(C(C)C)COC1 827869936 PWQKYTXRHPGTGA-UHFFFAOYSA-N 274.317 -0.531 50 20 CBGD COC(=O)C[C@H]1CCCN1CC(=O)NNC(=O)C(C)C 828428051 HDLXHXMJBCEJGV-SNVBAGLBSA-N 285.344 -0.183 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)[C@H]2CC[C@H]2C(N)=O)c1 847441542 ZMJSWWVCUUPBPT-MNOVXSKESA-N 286.291 -0.169 50 20 CBGD CNC(=O)NCCC(=O)NNC(=O)CC(F)(F)F 855001193 XHXHDKQXDWOAIN-UHFFFAOYSA-N 270.211 -0.595 50 20 CBGD COc1cccc(NNC(=O)[C@]2(O)CCOC2)n1 857483099 PUQYRJKLKHKEMV-NSHDSACASA-N 253.258 -0.315 50 20 CBGD O=C(NNC(=O)c1cnc2n1CCC2)c1cn[nH]c1 862469432 KGUXJKCCVZVIHD-UHFFFAOYSA-N 260.257 -0.373 50 20 CBGD CS(=O)(=O)CC(=O)NN=C1CCCc2nc(N)ccc21 863185917 HIUQDWPHCZHVPF-UHFFFAOYSA-N 296.352 -0.135 50 20 CBGD COCCOCC(=O)NN=C1CNC(=O)c2ccccc21 872399905 KTLOQDDTLPCKGT-UHFFFAOYSA-N 291.307 -0.087 50 20 CBGD O=C(NC[C@H]1COCO1)NNC(=O)[C@H]1CCCCO1 923841877 AKFUBFRBXUQKPY-DTWKUNHWSA-N 273.289 -0.741 50 20 CBGD CC[S@](C)(=O)=NC(=O)c1ccc(B(O)O)cc1 925867319 ZZPAIGQLPSTZSZ-KRWDZBQOSA-N 255.104 -0.376 50 20 CBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccn(C)c1=O 1116597841 QMFMNZBJKSNXEY-QMMMGPOBSA-N 294.311 -0.483 50 20 CBGD NC(=O)C(=O)NN=Cc1nc(-c2ccccc2)no1 1318174204 IOXXCLFQTAWPMH-UHFFFAOYSA-N 259.225 -0.328 50 20 CBGD NC(=O)c1ccc(C(=O)NNc2ncc(F)cn2)nc1 1319774566 RTNVONGXBPXCTQ-UHFFFAOYSA-N 276.231 -0.134 50 20 CBGD CN(NC(=O)c1cc(N2CCOCC2)ccn1)C(N)=O 1324358067 OZCJNDGYIJIANQ-UHFFFAOYSA-N 279.300 -0.427 50 20 CBGD Cn1ncc([N+](=O)[O-])c1C(=O)NNC(=O)CC1CC1 1324748421 WRDLSBHGPPOAPE-UHFFFAOYSA-N 267.245 -0.111 50 20 CBGD CO[C@@H](C=NNC(=O)CS(C)(=O)=O)[C@@H]1CCOC1 1331723522 UUQNRUWAQGRPKE-BDAKNGLRSA-N 278.330 -0.816 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1cnn(C2CC2)c1 1335369318 XRFNHOIDBKHZIH-UHFFFAOYSA-N 286.313 -0.976 50 20 CBGD CC1(C)CC[C@@H](CO)N(C(=O)c2ccc(B(O)O)cc2)C1 1347320701 QWMKEPNZMAJGHL-ZDUSSCGKSA-N 291.156 -0.011 50 20 CBGD O=C(CSCc1cnn[nH]1)NNC(=O)c1cn[nH]c1 1577958237 GPNQIAJVOAGXRK-UHFFFAOYSA-N 281.301 -0.778 50 20 CBGD O=C(NNC(=O)[C@@H]1CCN1)c1ccc(Br)nc1 1580733395 UATLHWTXYIUNRK-ZETCQYMHSA-N 299.128 -0.033 50 20 CBGD O=C(O)COCC(=O)NNc1nc(-c2ccncc2)no1 1595106904 BUXWKRKSYGWRTR-UHFFFAOYSA-N 293.239 -0.324 50 20 CBGD CC[C@H](CNC(=O)c1ccc(B(O)O)cc1)C(=O)O 1595160662 OSAZYQBTKWRQRG-MRVPVSSYSA-N 265.074 -0.793 50 20 CBGD O=C(O)C[C@@H](NC(=O)c1cccc(B(O)O)c1)C1CC1 1601904935 HCQSQFKQUGKSOD-LLVKDONJSA-N 277.085 -0.651 50 20 CBGD CN(NC(=O)c1cccc(OCC(=O)O)c1)C(N)=O 1606180773 GVVLIVVPRGEKQB-UHFFFAOYSA-N 267.241 -0.195 50 20 CBGD CC(C)(O)C(=O)NNC(=O)C12CCC(C(=O)O)(CC1)C2 1609681233 ULCQWRAZISJMOG-UHFFFAOYSA-N 284.312 -0.060 50 20 CBGD COCCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 42842955 RGYNKMYSLIRFLY-SECBINFHSA-N 265.335 -0.986 50 20 CBGD CCCCNC(=O)NNC(=O)Cn1cccnc1=O 49143647 XITKJZAKMFDKHC-UHFFFAOYSA-N 267.289 -0.626 50 20 CBGD CCNC(=O)NNC(=O)CCn1c(C)csc1=O 49165754 ZANXJDGYHVVMAS-UHFFFAOYSA-N 272.330 -0.041 50 20 CBGD O=C(CC1CCC1)NNC(=O)C(=O)N1CCCC1 79842176 MZUOSJQHJGTRLY-UHFFFAOYSA-N 253.302 -0.054 50 20 CBGD CCCn1cc(C(=O)NNC(=O)CN(C)C)cn1 180328591 NBCYCGBAAHLSCU-UHFFFAOYSA-N 253.306 -0.384 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)COc1ccccc1O 263829643 USLWPZMWDRUURJ-UHFFFAOYSA-N 295.295 -0.557 50 20 CBGD CCCOCC(=O)NNC(=O)CNC(=O)c1cccnc1 268855771 PVFQFZQIRHYTPN-UHFFFAOYSA-N 294.311 -0.615 50 20 CBGD CCOC(=O)NCC(=O)NNC(=O)c1cc(C)n[nH]1 269078059 VLADYIIYGSLTHP-UHFFFAOYSA-N 269.261 -0.775 50 20 CBGD CC1=C(C(=O)NNC(=O)C(=O)N2CCCC2)CCCO1 270040609 JRZJBNXGBMYUDV-UHFFFAOYSA-N 281.312 -0.159 50 20 CBGD CCn1c(NNC(=O)CO)nc2ccccc2c1=O 270771785 QKSFRLZJZCZCPH-UHFFFAOYSA-N 262.269 -0.148 50 20 CBGD Cc1ccn(C[C@](C)(O)C(=O)NNC(=O)C2CC2)c(=O)c1 279179482 RTHAYCRRCKJLJI-AWEZNQCLSA-N 293.323 -0.535 50 20 CBGD COCC1(C(=O)NNC(=O)C(=O)NC(C)C)CCC1 284551110 PPKDNSONIXMNJD-UHFFFAOYSA-N 271.317 -0.525 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNC(=O)c1cccc(C)n1 373760019 UTMXDIYKTQEXBJ-LBPRGKRZSA-N 292.339 -0.128 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CCN1C 584950373 JJWQAHWZCVHTDA-MFKMUULPSA-N 276.145 -0.421 50 20 CBGD O=C(NC[C@H]1CCC[C@H](O)C1)c1ccc(B(O)O)c(F)c1 584951460 QNQYMDNMYKANGJ-ONGXEEELSA-N 295.119 -0.214 50 20 CBGD C[S@](=O)C1(CNC(=O)c2cccc(B(O)O)c2)CC1 584986688 KTDXROUQCOEINW-IBGZPJMESA-N 281.142 -0.993 50 20 CBGD COCCOCCCNCc1ccc(B(O)O)o1 585014644 AHMUPGIRIFNSOP-UHFFFAOYSA-N 257.095 -0.898 50 20 CBGD CN(C)[C@@H]1CCC[C@H](NCc2ccc(B(O)O)o2)C1 585025936 GTCVCRZWLXYCPV-WDEREUQCSA-N 266.150 -0.078 50 20 CBGD CN1CC=C(CNCc2ccc(B(O)O)cc2)CC1 585035056 PFELBLCUAIMDOC-UHFFFAOYSA-N 260.146 -0.282 50 20 CBGD COc1ccc2c(c1)OC[C@H](C(=O)NCB(O)O)C2 585062143 QNMZUXXUQLFFFC-SECBINFHSA-N 265.074 -0.626 50 20 CBGD CN(C)C(=O)NNC(=O)C1(C(=O)NC2CC2)CC1 726164416 QTWPGCNSOOCABX-UHFFFAOYSA-N 254.290 -0.652 50 20 CBGD CCNC(=O)CCC(=O)NNC(=O)NCCCOC 732063678 ZVPRBELWVXRZHI-UHFFFAOYSA-N 274.321 -0.730 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(C(N)=O)cn1 732084666 WCFQLBHZFGZLCI-UHFFFAOYSA-N 288.267 -0.713 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCc3c[nH]nc3C2)cn1 742688276 URWVVTYESQLKHY-QMMMGPOBSA-N 288.311 -0.291 50 20 CBGD Cn1nccc1C(=O)NNC(=O)Cc1ccncc1 747323070 ZLJHHSSNPLSWNT-UHFFFAOYSA-N 259.269 -0.181 50 20 CBGD CCc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)n[nH]1 748241284 TYSPYBRVXDYJDY-UHFFFAOYSA-N 279.300 -0.645 50 20 CBGD COC[C@H](C)CC(=O)NNC(=O)C(=O)N1CCCC1 755269000 ULQQOSKQGAGKNO-SECBINFHSA-N 271.317 -0.571 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnn(-c2cccnc2)c1 771568889 ZWGYDKWZFZHGPE-UHFFFAOYSA-N 288.311 -0.410 50 20 CBGD COC(=O)c1cc(S(=O)(=O)NNC(C)=O)cn1C 775249548 UETKXVTVZVOSOY-UHFFFAOYSA-N 275.286 -0.859 50 20 CBGD O=C(NN=Cc1ccc(F)nc1)C(=O)NC1CC1 777430191 OCYUIZLRSPVOMH-UHFFFAOYSA-N 250.233 -0.051 50 20 CBGD COC(=O)Cn1cc(C(C)=NNC(=O)C(F)F)nn1 782239156 ZOCSNVXPWLMVJE-UHFFFAOYSA-N 275.215 -0.444 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCC1(C#N)CC1 797580617 ASHIYLSJNYLBMN-SECBINFHSA-N 284.316 -0.328 50 20 CBGD CC(=O)NNC(=O)[C@H]1COCCN1CC(F)F 806307711 HKHITZOHDOBUMP-SSDOTTSWSA-N 251.233 -0.880 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCCCN2C)CC1 807382326 AULURUAAZBEUFZ-LLVKDONJSA-N 283.376 -0.541 50 20 CBGD CCOCC1(C(=O)NNC(=O)N2CCN(C)CC2)CC1 807382594 MASOBOJENZAIHJ-UHFFFAOYSA-N 284.360 -0.209 50 20 CBGD CN(NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C1CC1 819643944 VOTTVODMOOWLBW-UHFFFAOYSA-N 296.352 -0.391 50 20 CBGD O=C(CCOc1ccccc1)NNC(=O)C[C@H]1CC(=O)N1 824701764 GNPQGAFWGWEBAN-SNVBAGLBSA-N 291.307 -0.119 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cnn(C)c1N 842548988 FPSJYOSJUFFMMF-CBAPKCEASA-N 251.290 -0.123 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)S(C)(=O)=O 843654049 YXEVLLSUFSWTRV-HTQZYQBOSA-N 292.357 -0.618 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CNCC(F)(F)F 843971558 CHJYMRPKFSUISN-RNFRBKRXSA-N 283.250 -0.289 50 20 CBGD CSCC[C@H](O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843980322 SUESWIRRQJWYNR-HLTSFMKQSA-N 276.358 -0.327 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cnc[nH]1 853303430 NHPMXHPUMLFBJG-SSDOTTSWSA-N 273.318 -0.812 50 20 CBGD CNC(=S)N(C)NC(=O)C1(C(=O)NC2CC2)CCC1 854923924 NFCCBGLJXVBTFC-UHFFFAOYSA-N 284.385 -0.097 50 20 CBGD Cc1nc(CC(=O)NNC(=O)OCC(F)(F)F)n[nH]1 856026435 YMJSOQPPHGDQGO-UHFFFAOYSA-N 281.194 -0.025 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)c1cccc(F)n1 856422758 CWEOFIUVRYHQOP-QMMMGPOBSA-N 280.259 -0.398 50 20 CBGD Cc1ncc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 860599058 VSQVXRIANOYJQA-MRVPVSSYSA-N 278.272 -0.784 50 20 CBGD CCCCO[C@@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862454200 RKFSOWZTHJCDNV-DTWKUNHWSA-N 271.317 -0.382 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2ncncc2C1)c1cn[nH]c1 862469460 KSNOAUMBXQXVJH-MRVPVSSYSA-N 286.295 -0.234 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 863465783 LCPLSARWTDDDAO-HRDYMLBCSA-N 274.342 -0.385 50 20 CBGD CC(C)[C@H](NC=O)C(=O)NNc1ccnc(N(C)C)n1 863882978 SJPSWOGGKZSYDY-JTQLQIEISA-N 280.332 -0.244 50 20 CBGD O=C(NC[C@@H]1CCCOC1)c1ccc(B(O)O)cc1 864953985 INWHAQSGCILQJK-JTQLQIEISA-N 263.102 -0.477 50 20 CBGD COCCOCC(=O)NNC(=O)c1[nH]ccc1C 869905199 KUBMVIQOHKMXKD-UHFFFAOYSA-N 255.274 -0.253 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H](C)OCC1CC1 869909022 FTGYVFBPOSGXTI-VIFPVBQESA-N 274.317 -0.388 50 20 CBGD O=Cc1cccc(OCC(=O)N2CC[C@H](B(O)O)C2)c1 874970483 WOKZBUBKZNXIKF-NSHDSACASA-N 277.085 -0.047 50 20 CBGD CCC(=O)NNC(=S)NCCCN1CCOCC1 916112793 KEXWHOIRGZVLJB-UHFFFAOYSA-N 274.390 -0.386 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCCCC1 920297548 BVEKLIVQBAYSGZ-QMMMGPOBSA-N 291.373 -0.348 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1cncs1 920434154 RCKQNSYFNAOIQP-UHFFFAOYSA-N 268.298 -0.474 50 20 CBGD CN1CCN(C(=O)NNC(=O)/C=C\c2cn(C)cn2)CC1 935859725 BJMNUDIRIBGAJT-ARJAWSKDSA-N 292.343 -0.579 50 20 CBGD Cn1c(NNC(=O)c2cnn[nH]2)nc2ccccc2c1=O 1116053775 WETOQOHXZKOGKQ-UHFFFAOYSA-N 285.267 -0.192 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CC[C@H](SC)C1 1116182090 UCNOSDRIELKYSX-BQBZGAKWSA-N 275.330 -0.226 50 20 CBGD O=C(c1ccnc(-n2cccn2)c1)N1CC[C@@H](B(O)O)C1 1118916634 QUSWOFVUVRYSHG-LLVKDONJSA-N 286.100 -0.044 50 20 CBGD Cc1n[nH]c(C)c1[C@H](C)C(=O)NNC(=O)C(=O)NC(C)C 1254581644 GACRJDYDTVGITP-ZETCQYMHSA-N 295.343 -0.198 50 20 CBGD O=C(NN=CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1319730261 STBWNMZNFZQVHX-NXEZZACHSA-N 274.342 -0.050 50 20 CBGD CC(C)NC(=O)NNC(=O)Cn1cc([C@H](C)O)nn1 1322604698 QAXQDONNDVBWQP-ZETCQYMHSA-N 270.293 -0.930 50 20 CBGD CCn1cc(NC(=O)C(=O)NNC(=O)CC2CC2)cn1 1323945081 PSDYMIWYVVCIEV-UHFFFAOYSA-N 279.300 -0.211 50 20 CBGD O=C(CCl)N1CCC(O)(CN2CCOCC2)CC1 1327857538 HKRDVSWYBMHZCP-UHFFFAOYSA-N 276.764 -0.089 50 20 CBGD COC[C@H](OC)C(=O)NNc1nncc(N)c1Cl 1328472308 XYNAASPNZNBDSR-LURJTMIESA-N 275.696 -0.183 50 20 CBGD COC[C@@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)C[C@@H](C)O1 1328803532 DMTLARZPKZQMPX-SCZZXKLOSA-N 297.315 -0.500 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cnn(C(C)C)c1 1329015908 GNMZLNIDQBQOJW-UHFFFAOYSA-N 283.288 -0.804 50 20 CBGD CC(=O)NCC(=O)N1CCCN(C(=O)CCl)CC1 1329303583 KYIXWSWLPMRUJF-UHFFFAOYSA-N 275.736 -0.578 50 20 CBGD CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)CCl 1329304555 TZNSWSYBXHTNNZ-LBPRGKRZSA-N 276.764 -0.043 50 20 CBGD Cc1noc(C2CC2)c1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331617189 YMDZHXOAQYIHIL-QMMMGPOBSA-N 292.295 -0.100 50 20 CBGD C[C@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)S(C)(=O)=O 1334587738 HEWLOKAOQHOVOR-BUBXLPKJSA-N 296.352 -0.124 50 20 CBGD NNC(=O)NCCN1Cc2ccccc2OCC1=O 1335635039 MLGSYSDFVIKJAC-UHFFFAOYSA-N 264.285 -0.420 50 20 CBGD CN1CCC(C(=O)NNC(=O)C(=O)N2CCCC2)CC1 1339035959 JGWLAIULGYWSMS-UHFFFAOYSA-N 282.344 -0.902 50 20 CBGD CS(=O)(=O)c1ccccc1NNC(=O)[C@H]1CCNC1=O 1351132194 JSODIVRTIVLVRZ-QMMMGPOBSA-N 297.336 -0.331 50 20 CBGD CNCC(=O)NNC(=O)CCNC(=O)OC(C)(C)C 1573896451 OAAJHTCKCSXHLX-UHFFFAOYSA-N 274.321 -0.732 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@H]1CCN1)C(=O)OC(C)(C)C 1575068510 CVFWXIRPEQNRPV-HTQZYQBOSA-N 271.317 -0.527 50 20 CBGD CCC(=O)NNC(=O)Nc1ccnc(-c2nn[nH]n2)c1 1590365357 GWWVDLKZNHJKMV-UHFFFAOYSA-N 276.260 -0.176 50 20 CBGD C[C@@H](O)CN(C)NC(=O)Cc1ccc(C(=O)O)nc1 1593456353 DABMONIESHVQJX-MRVPVSSYSA-N 267.285 -0.334 50 20 CBGD O=C(CO)NCCC(=O)NNc1ccc(F)c(C(=O)O)c1 1601330109 LJIQSXBQXZAHIN-UHFFFAOYSA-N 299.258 -0.534 50 20 CBGD CCc1nnc(CNC(=O)NNC(=O)C(=O)O)s1 1605869274 AFAJDTWILRBHIW-UHFFFAOYSA-N 273.274 -0.985 50 20 CBGD COc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)c(F)c1 8402130 XHNCMOAIFQVJHX-UHFFFAOYSA-N 295.270 -0.126 50 20 CBGD Cc1ccnc2nc(C(=O)NNC(=O)c3ccc[nH]3)nn12 96991766 MDUVCKKKLHZZPI-UHFFFAOYSA-N 285.267 -0.164 50 20 CBGD O=C(CO)NNC(=O)CCCOc1ccccc1 180949821 TWPDDQOEEZXORE-UHFFFAOYSA-N 252.270 -0.015 50 20 CBGD O=S(=O)(CCCCl)NC[C@@]1(O)CCOC1 227191536 YIIRJJHJOJNHCS-QMMMGPOBSA-N 257.739 -0.314 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2CCCN2)n1 237305659 FMSVREANGPIHSA-MRVPVSSYSA-N 251.290 -0.011 50 20 CBGD O=C(COCc1ccccc1)NNC(=O)Cn1cnnn1 265647992 WJANGSWQKMGQIW-UHFFFAOYSA-N 290.283 -0.963 50 20 CBGD O=C(Cc1ccco1)NNC(=O)C(=O)N1CCCC1 268841699 ZQPFREKNWXYYSD-UHFFFAOYSA-N 265.269 -0.408 50 20 CBGD CN1CCN(C(=O)NNC(=O)C2CC=CC2)CC1 278565797 IAJKJXFQKZIXSZ-UHFFFAOYSA-N 252.318 -0.059 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCN(C(=O)CN(C)C)CC1 294219389 CZRJSRBFXXPXQT-VAWYXSNFSA-N 294.355 -0.337 50 20 CBGD C[C@@H](C(=O)NN(C)C(N)=O)N1C(=O)NC2(CCCC2)C1=O 367949525 FYMYGMLCDHSYAI-ZETCQYMHSA-N 297.315 -0.719 50 20 CBGD O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NNc1ncccn1 369047702 ONQZJCFTJNTQCT-GHMZBOCLSA-N 292.343 -0.034 50 20 CBGD C[C@H](C(=O)Nc1cccc(B(O)O)c1)N1CCSCC1 584910794 DUDKMBNYJWZCEX-SNVBAGLBSA-N 294.185 -0.258 50 20 CBGD CC[C@@H](C)[C@@H](O)CNC(=O)c1ccc(B(O)O)cc1 584961149 ZNDZBEXLZKAMHR-SKDRFNHKSA-N 265.118 -0.497 50 20 CBGD CN(C[C@@H]1CCC[C@@H]1O)C(=O)c1ccc(B(O)O)cc1 584967625 YMUVECQPPVVPRX-AAEUAGOBSA-N 277.129 -0.401 50 20 CBGD CC[C@@](C)(CCO)NC(=O)c1cc(B(O)O)ccc1F 584971676 XIKPAHOWEXPSLO-ZDUSSCGKSA-N 283.108 -0.214 50 20 CBGD C[C@@H]1C[C@@H](O)CN1C(=O)c1cc(B(O)O)ccc1F 584980144 RNORQBBTYPPIJT-VXNVDRBHSA-N 267.065 -0.899 50 20 CBGD O=C(NC[C@@H](O)C1CCC1)c1cc(B(O)O)ccc1F 584998582 FXCCRNOSHAMVBB-GFCCVEGCSA-N 281.092 -0.604 50 20 CBGD CS(=O)(=O)CCCNCc1ccc(B(O)O)cc1F 585022216 KUXWONPCSLONRX-UHFFFAOYSA-N 289.137 -0.970 50 20 CBGD CC[C@H](C)[C@@H](CO)NCc1ccc(B(O)O)cc1 585025265 PTBDTGMDCRWNCH-GXFFZTMASA-N 251.135 -0.137 50 20 CBGD Cc1nc2ccc(C(=O)NCB(O)O)cc2nc1C 585061576 VZOGCZMEEFXSGX-UHFFFAOYSA-N 259.074 -0.012 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc[nH]1 728437967 YZVBSRXUWAXZLS-SSDOTTSWSA-N 258.303 -0.598 50 20 CBGD C#CC(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12 753889829 WOWWVWNXKKTVSV-UHFFFAOYSA-N 284.275 -0.189 50 20 CBGD C=CCNC(=O)c1ccc(NC(=O)NNC(=O)CO)cc1 756111808 SMNRLPHWMSYHHO-UHFFFAOYSA-N 292.295 -0.253 50 20 CBGD NC(=O)[C@@H]1CC[C@H](CNC(=O)NNc2ccccn2)O1 759776443 NBACDRFLRKDFAA-BDAKNGLRSA-N 279.300 -0.259 50 20 CBGD O=C(CCCN1C(=O)CCC1=O)NNc1ncc(F)cn1 760904935 BPBWAQPMCNPRDD-UHFFFAOYSA-N 295.274 -0.012 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)c1ccc(C#N)cc1 761151236 XFVGOIHIHDFOGH-UHFFFAOYSA-N 275.268 -0.752 50 20 CBGD Cc1cn2ccnc(C(=O)NNC(=O)c3cnn(C)c3)c2n1 761925759 JFJDFYZCGUDMNX-UHFFFAOYSA-N 299.294 -0.154 50 20 CBGD CC(C)(C)c1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)[nH]n1 763136310 MOTAGNVISJRAKR-SSDOTTSWSA-N 293.327 -0.253 50 20 CBGD CO[C@H](C)C(C)=NNC(=O)[C@@H](C)NS(C)(=O)=O 763172385 LGTIEHMFXIHSDV-HTQZYQBOSA-N 265.335 -0.549 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cccnc1OC(C)C 763515495 OHTGOLMGUDKNEO-UHFFFAOYSA-N 280.284 -0.025 50 20 CBGD O=C(CO)NNC(=O)Cc1csc(-c2cccnc2)n1 777781368 RUMLXHRYCBXUQC-UHFFFAOYSA-N 292.320 -0.113 50 20 CBGD CCCNC(=O)NNC(=O)c1cccc(C(N)=O)n1 781954149 DBIVXSITGHDVCI-UHFFFAOYSA-N 265.273 -0.466 50 20 CBGD Cn1ncc(C(=O)NNC(=O)COc2ccc(F)cc2)n1 785691966 XSOVBCOWDOLLQN-UHFFFAOYSA-N 293.258 -0.206 50 20 CBGD CS[C@H](C)C(=O)NNC(=O)N1CCN(C)CC1 788166553 PSJVKIHZUBNMAD-MRVPVSSYSA-N 260.363 -0.274 50 20 CBGD CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)C(=O)NC1CC1 792852807 HUPQKVUSEUQXCB-IONNQARKSA-N 271.317 -0.527 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NN=C1C(=O)OC[C@@H]1C 794879483 MQUARQXDNRUUFA-ZJUUUORDSA-N 283.328 -0.380 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)[C@H]1CCCOC1 796198298 IVSSKSSDWHZRIN-JTQLQIEISA-N 255.318 -0.345 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CCC(=O)N1C 798305925 MAXHDKNXYSENDF-ZETCQYMHSA-N 256.331 -0.712 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCCC(=O)N1 800244781 KRVUNUJSZHAKMT-HTQZYQBOSA-N 285.300 -0.856 50 20 CBGD Cc1nn[nH]c1C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C 805547717 UJFNUGNLQUZOJS-QMMMGPOBSA-N 297.315 -0.148 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCCC23OCCO3)cn1 806880925 BSAGMGICOMTGNN-JTQLQIEISA-N 294.311 -0.276 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@](C)(O)C1CCC1 813378551 RNQWIQDECOVHOJ-LBPRGKRZSA-N 271.317 -0.791 50 20 CBGD Cn1nc(C(=O)NNC(=O)CC2CC2)ccc1=O 819125811 BBYJVHONPVONQZ-UHFFFAOYSA-N 250.258 -0.659 50 20 CBGD CC1=C(C(=O)NN(C)[C@@H](C)CO)[C@H](C)n2ncnc2N1C 823934288 FERAIIYXFLZYGQ-WPRPVWTQSA-N 294.359 -0.093 50 20 CBGD C[C@H](CO)N(C)NC(=O)C(=O)Nc1ccccc1 823970925 MZDYVOXUDLHTAE-SECBINFHSA-N 251.286 -0.031 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccc2c(c1)OCC(=O)N2 823986942 CMAWOKHEALOZJZ-QMMMGPOBSA-N 279.296 -0.025 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)C)C(C)(C)C(=O)O 830676432 FOAWHBMTCNKQBA-UHFFFAOYSA-N 273.333 -0.025 50 20 CBGD CSCCNC(=S)NNC(=O)Cc1n[nH]c(C)n1 831575314 FQWIOHABFPVIHL-UHFFFAOYSA-N 288.402 -0.486 50 20 CBGD O=C(CN1CC[C@]2(CCNC2)C1)NNC(=O)C1CC1 843368198 ONSRCTPLLZLQGP-ZDUSSCGKSA-N 266.345 -0.771 50 20 CBGD Cc1nn(C)cc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843650935 ITYAAAOBSMMTGZ-RKDXNWHRSA-N 266.301 -0.085 50 20 CBGD CN(C)c1ncccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862450867 CPWCWALVHOKEBU-VIFPVBQESA-N 291.311 -0.813 50 20 CBGD Cn1ncc2c1CCCC2=NNC(=O)[C@H]1CCC(=O)N1 863146186 UGGGHWIYBZPKPA-SNVBAGLBSA-N 275.312 -0.145 50 20 CBGD O=C(NN=C1CCN(CCO)CC1)c1cn[nH]c1 863154003 KLVPNSLQNVOESY-UHFFFAOYSA-N 251.290 -0.416 50 20 CBGD COC(=O)c1cnc(N2CC[C@H](B(O)O)C2)c([N+](=O)[O-])c1 864234051 OPJIWAMTSSBKNE-QMMMGPOBSA-N 295.060 -0.171 50 20 CBGD COC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 913176748 OXSKAVXBRWZBTC-UHFFFAOYSA-N 276.252 -0.066 50 20 CBGD NC(=O)c1cccc(NC(=O)NNC(=O)CCO)c1 1116616310 FPJBWYOMVASTDR-UHFFFAOYSA-N 266.257 -0.679 50 20 CBGD CNC(=O)NCC(=O)NNc1ccc(-n2ccnc2)nn1 1117277846 NPUMBQOROWZLSF-UHFFFAOYSA-N 290.287 -0.966 50 20 CBGD Cc1n[nH]c(C)c1[C@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1118884761 PSBIQQZLVHUYLA-RCOVLWMOSA-N 293.327 -0.444 50 20 CBGD CO[C@@H](CN)CC(=O)NNc1nncc(N)c1Cl 1261494702 AEEZLPBPBNONCT-RXMQYKEDSA-N 274.712 -0.481 50 20 CBGD O=C(NC[C@H]1COCCO1)NNC(=O)c1ccc[nH]1 1317933987 BGMAHYYQRNDWQX-QMMMGPOBSA-N 268.273 -0.626 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)N(C)C)cn1 1318037848 WYSDFOXWMZHXAN-UHFFFAOYSA-N 266.257 -0.216 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1nc(C)cs1 1320347448 QJQYFIFZNCPLCL-UHFFFAOYSA-N 256.287 -0.053 50 20 CBGD Nc1cnnc(NNC(=O)[C@@]2(O)CCOC2)c1Cl 1328665413 GYZDTXLDSVTHID-SECBINFHSA-N 273.680 -0.693 50 20 CBGD O=C(NNc1ccc(Cl)nn1)c1n[nH]c(O)n1 1328714382 IZRASQNIFQPYQX-UHFFFAOYSA-N 255.625 -0.289 50 20 CBGD COCCCNC(=O)NNC(=O)Cc1ncc[nH]1 1330234327 QPKHFGJGKIYJHE-UHFFFAOYSA-N 255.278 -0.681 50 20 CBGD C[C@H](NC(=O)NNC(=O)c1cccc(F)n1)C(=O)N(C)C 1330567968 YXQPZNCUQKHMOR-ZETCQYMHSA-N 297.290 -0.359 50 20 CBGD CCOC1(C(=O)NNC(=O)c2cccnn2)CCOCC1 1332656480 ANZUYFROHMONEC-UHFFFAOYSA-N 294.311 -0.177 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCC(F)(F)C1 1333356310 FGBPGJSOMTVNNY-RXMQYKEDSA-N 265.216 -0.322 50 20 CBGD COCC(=O)NCCC(=O)NN=c1cc[nH]cc1 1337483023 OMPFBPDTGRTIGE-UHFFFAOYSA-N 252.274 -0.901 50 20 CBGD C[C@@H](C[S@@](C)=O)NC(=O)NNC(=O)c1ccc[nH]1 1337716664 REJXDBDSLQJUTF-ULCDLSAGSA-N 272.330 -0.274 50 20 CBGD CCN1CC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCNC1 1577768276 XBPWHNWRIYBTSB-NXEZZACHSA-N 254.334 -0.772 50 20 CBGD COc1ccc(C=O)cc1C(=O)NNC(=O)[C@@H]1CCN1 1579203504 KAZUUFUGIJFATQ-JTQLQIEISA-N 277.280 -0.369 50 20 CBGD C[C@]1(C(=O)O)CCN(C(=O)c2cccc(B(O)O)c2)C1 1589196633 FBSAKWKVUSXPMO-ZDUSSCGKSA-N 277.085 -0.697 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)CC[C@H]1C(=O)O 1599925864 XWVWZFWBLGKQAZ-JOYOIKCWSA-N 291.112 -0.451 50 20 CBGD O=C(CCn1cncn1)NNc1ccc(C(=O)O)cn1 1601300065 DVKRQIJPXJSBCV-UHFFFAOYSA-N 276.256 -0.095 50 20 CBGD O=C(CN1C[C@H]2CC[C@H]1[C@H](C(=O)O)C2)NNC(=O)C1CC1 1601307037 SYLHQHCJZQVUOS-GDPRMGEGSA-N 295.339 -0.271 50 20 CBGD CN(NC(=O)c1ccc(-c2nn[nH]n2)o1)C(N)=O 1604826989 REENMFVEIVYDMT-UHFFFAOYSA-N 251.206 -0.885 50 20 CBGD COc1ccc(C=NNC(=O)C(=O)O)cc1OCC(N)=O 1607242394 FTKKTJOKMDQFJS-UHFFFAOYSA-N 295.251 -0.906 50 20 CBGD COc1ccc(C(=O)O)cc1C=NNC(=O)CO 1776052685 IETFZPCNDDNNQN-UHFFFAOYSA-N 252.226 -0.164 50 20 CBGD CNC(=O)NNC(=O)CSc1nnnn1C1CC1 48949865 MLWRBZFXFBLNFI-UHFFFAOYSA-N 271.306 -0.940 50 20 CBGD CC1CCN(CC(=O)NNC(=O)C(=O)NC(C)C)CC1 125940762 JDTUAUAWLQCEDB-UHFFFAOYSA-N 284.360 -0.610 50 20 CBGD O=C(NNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1c[nH]nn1 135381342 AREQFSPGCXRJDT-UHFFFAOYSA-N 294.202 -0.073 50 20 CBGD Cc1cc(C)nc(NNC(=O)Cn2ncn(C)c2=O)n1 181086915 MYHXZIKQQSTLIU-UHFFFAOYSA-N 277.288 -0.868 50 20 CBGD COC[C@@H](CO)NS(=O)(=O)CCCCCl 234878255 UFJXRIHZSFBESY-MRVPVSSYSA-N 259.755 -0.068 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H](OC)c1cnn(C)c1 282514754 XSVBBUNDGBASKZ-VIFPVBQESA-N 269.305 -0.200 50 20 CBGD CCOC(=O)NCCC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 293901460 LNIFSEYKKPHCRS-IUCAKERBSA-N 287.316 -0.163 50 20 CBGD O=C(/C=C\C1CCOCC1)NNC(=O)C(=O)N1CCCC1 491796916 NNBVWPQPFQJNPH-ARJAWSKDSA-N 295.339 -0.261 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1cn[nH]c1 494456212 UKUJOYBJFQMUTP-UHFFFAOYSA-N 283.288 -0.305 50 20 CBGD COC(=O)N(C)NS(=O)(=O)N1CCC[C@@H]1C 496794793 PNAPUDLEYSIRTJ-ZETCQYMHSA-N 251.308 -0.082 50 20 CBGD O=C(NC[C@@H]1CCC[C@@H](O)C1)c1cccc(B(O)O)c1 584948467 CMLYNXNQNVAWKQ-ZWNOBZJWSA-N 277.129 -0.353 50 20 CBGD CC(C)(C)C[C@@H](O)CNC(=O)c1ccc(B(O)O)cc1 584948719 ODOYWAUECKOLAN-GFCCVEGCSA-N 279.145 -0.107 50 20 CBGD COC[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)C(C)C 584952183 STESUPXTTHIIOG-GFCCVEGCSA-N 283.108 -0.094 50 20 CBGD CC[C@@](C)(CCO)NC(=O)c1ccc(B(O)O)c(F)c1 584971644 WJZWBYVSTJQNDK-ZDUSSCGKSA-N 283.108 -0.214 50 20 CBGD CC(C)(O)CCNC(=O)c1cc(B(O)O)ccc1F 584976795 MMPRSUFSAUZFLU-UHFFFAOYSA-N 269.081 -0.604 50 20 CBGD C[C@@H]1[C@@H](CO)CCN1C(=O)c1cccc(B(O)O)c1 584982708 PTAQNFSTYLGMNM-MWLCHTKSSA-N 263.102 -0.791 50 20 CBGD C[C@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)c2nccn21 584996438 HNVGRUBBSRJAKU-JOYOIKCWSA-N 285.112 -0.001 50 20 CBGD O=C(NC[C@H]1CCN1C1CC1)c1ccc(B(O)O)c(F)c1 585005294 DGXDAFGIQMYKAY-LLVKDONJSA-N 292.119 -0.528 50 20 CBGD Cc1nc(CCNCc2cccc(B(O)O)c2)n[nH]1 585033970 LGTVNJKIEYUJMW-UHFFFAOYSA-N 260.106 -0.875 50 20 CBGD CC(=O)N1CCC[C@H](CNCc2cccc(B(O)O)c2)C1 585039034 MNWJVNVHZKWHRK-CQSZACIVSA-N 290.172 -0.286 50 20 CBGD OC[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NCc1ccccc1B(O)O 585040186 GZFRXRUJOKDOAL-HTTKSJEASA-N 275.157 -0.137 50 20 CBGD C[C@H](CCCO)CNCc1ccccc1B(O)O 585043771 QYBJOSIWPIQNKV-LLVKDONJSA-N 251.135 -0.135 50 20 CBGD OB(O)c1ccc(CNCC23CC(CO2)C3)c(F)c1 585049607 SPCXLAJDFOETCT-UHFFFAOYSA-N 265.093 -0.226 50 20 CBGD O=C1C[C@H](c2nc(-c3ccc(B(O)O)cc3)no2)CCN1 585050823 MDGIKFZKDKOQQS-SECBINFHSA-N 287.084 -0.590 50 20 CBGD COCCOc1cccc(C(=O)NCB(O)O)c1 585061784 GWNAMJNMXXJSAY-UHFFFAOYSA-N 253.063 -0.546 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccccn1 728435437 AQQNGVGFMHWWRF-VIFPVBQESA-N 284.341 -0.141 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCN(C)[C@@H](C)C1 741464762 TXERNGDQSTWDCE-IUCAKERBSA-N 290.389 -0.490 50 20 CBGD Cn1cc(CC(=O)NNC(=O)c2cccnc2)cn1 751281711 UUYUBLAKBGXIRV-UHFFFAOYSA-N 259.269 -0.181 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(C#N)[nH]1 751994252 NKYWTORHKDSBAI-UHFFFAOYSA-N 291.311 -0.048 50 20 CBGD CC(C)Cc1cc(C(=O)NNC(=O)CO)cc(O)n1 753444379 MISXQYHIDCDCNJ-UHFFFAOYSA-N 267.285 -0.261 50 20 CBGD C[S@@](=O)Cc1ccccc1NC(=O)NNC(=O)CO 762888054 NLBBUQZYJHCWGH-LJQANCHMSA-N 285.325 -0.290 50 20 CBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)NC2CCCC2)nn1 763029342 KEQQJGROKHQJLQ-MRVPVSSYSA-N 296.331 -0.396 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C)nn1C 772038573 XABRSLJWKDBRNK-MRVPVSSYSA-N 282.300 -0.169 50 20 CBGD O=C(CNC1(CO)CCCCC1)NNC(=O)C1CC1 776590284 FSLPEZNJPALBEC-UHFFFAOYSA-N 269.345 -0.171 50 20 CBGD CC(=O)N[C@H](C(=O)NNC(=O)C(C)(C)O)C1CCCC1 787947426 ODXAYQDNIFRHRK-JTQLQIEISA-N 285.344 -0.400 50 20 CBGD CN(C)CC(=O)NNC(=O)CCc1ccccc1C(N)=O 792638101 KJYFTMLVPAWMCV-UHFFFAOYSA-N 292.339 -0.573 50 20 CBGD CCn1ncnc1CNC(=O)NNc1ncccn1 793462254 RZZVQCHSGBAXFC-UHFFFAOYSA-N 262.277 -0.086 50 20 CBGD Cn1nncc1C(=O)NNC(=O)c1ccc2c(c1)OCO2 798824864 FFLIKLXOIBQLMP-UHFFFAOYSA-N 289.251 -0.381 50 20 CBGD CC(=O)NCC(=O)NNC(=O)Nc1ccccc1 801987615 PYSPUDLXPSSAPZ-UHFFFAOYSA-N 250.258 -0.025 50 20 CBGD O=C(COCc1cccnc1)NNC(=O)N1CCOCC1 805170605 IFCMZFKNISQRBX-UHFFFAOYSA-N 294.311 -0.329 50 20 CBGD N#Cc1ncn(CCNC(=O)NNC(=O)C2CCCC2)n1 805352117 VAHDHRITYKVXHA-UHFFFAOYSA-N 291.315 -0.330 50 20 CBGD Cc1nnsc1C(=O)NNC(=O)N1CCN(C)CC1 807381694 FCRLUHJZFXCLNQ-UHFFFAOYSA-N 284.345 -0.552 50 20 CBGD COC(=O)c1cc(C(=O)NN(C)[C@@H](C)CO)ccn1 823947586 ZVLZQRYYFDYEEE-QMMMGPOBSA-N 267.285 -0.174 50 20 CBGD CCC[C@H](C(=O)NNc1cnccn1)S(N)(=O)=O 832395276 JASKRQFFDMRCMC-SSDOTTSWSA-N 273.318 -0.623 50 20 CBGD CC(C)C(=O)NNS(=O)(=O)c1ccc(C(=O)O)nc1 833466820 GOTMAMFYDSFZFZ-UHFFFAOYSA-N 287.297 -0.255 50 20 CBGD CC(=O)N[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)C(C)C 843644840 GJIMDALYXUDUCU-MIMYLULJSA-N 285.344 -0.281 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CN1CCSC1=O 843649949 XZLRRBKOEBURJM-HTQZYQBOSA-N 287.341 -0.272 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H]1C[C@H](O)C1(C)C 846953309 ABEMCTJMRRVMQN-YIZRAAEISA-N 257.334 -0.319 50 20 CBGD O=C(NNC(=O)[C@H]1CCCS1(=O)=O)c1ccccc1O 848368038 RLUQJGCSNDMIKE-SNVBAGLBSA-N 298.320 -0.270 50 20 CBGD CC[C@@H](C(=O)NNC(=O)c1cc[nH]n1)C(=O)OC 855356204 IHXOTWOGKNNSAK-LURJTMIESA-N 254.246 -0.630 50 20 CBGD O=C1CC[C@H](CC(=O)NNC(=O)c2cccc(F)n2)CN1 856428559 XSDUGFJBRGCXPZ-MRVPVSSYSA-N 294.286 -0.102 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCC[C@@H]2C2CC2)N1 858698708 ZCAONBUQGAUZHU-VHSXEESVSA-N 280.328 -0.120 50 20 CBGD C[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)[C@@H](C)[C@@H]1C 858702172 CSZRRLPDKVTRTP-IMSYWVGJSA-N 282.344 -0.018 50 20 CBGD CCCN1CCC[C@@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862453734 NBQDBCOMLSWLEV-NXEZZACHSA-N 282.344 -0.713 50 20 CBGD COC1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCCC1 862459262 QHTJTPVUICWNEQ-MRVPVSSYSA-N 269.301 -0.628 50 20 CBGD COCCOCC(C)=NNC(=O)[C@@H]1CCC(=O)N1 863149445 ZWEGFBJGOOPEBW-VIFPVBQESA-N 257.290 -0.580 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)COC1CCCCC1 863459473 CCHYUPBDYQTLPQ-UHFFFAOYSA-N 292.357 -0.472 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)c1ccc(B(O)O)cc1 863870852 OGLBIHBTECXOJR-UHFFFAOYSA-N 280.089 -0.464 50 20 CBGD COCCOCC(=O)NNC(=O)CN1[C@@H](C)CC[C@H]1C 869909784 JEZRLLFUMYZRRA-PHIMTYICSA-N 287.360 -0.330 50 20 CBGD C[C@]1(C(=O)NNC(=O)c2cccnn2)CCOC1 882057298 SWFBFWDIDUHINA-NSHDSACASA-N 250.258 -0.336 50 20 CBGD C#CCN(C)CCCNCc1cccc(B(O)O)c1 894863455 CTAKMQCNTBLTMQ-UHFFFAOYSA-N 260.146 -0.589 50 20 CBGD CN(CCc1ccccc1)CC(=O)NNC(=O)CO 897312920 PWHAGOIDGDLVQI-UHFFFAOYSA-N 265.313 -0.699 50 20 CBGD C#CCCCC(=O)NNS(=O)(=O)c1cnn(C)c1C 901964512 LXCBORPYKLJWSQ-UHFFFAOYSA-N 284.341 -0.158 50 20 CBGD Cn1ccc(S(=O)(=O)NNC(=O)c2ccccn2)n1 1115963126 XCMVMGUTMFFTPQ-UHFFFAOYSA-N 281.297 -0.562 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccon1 1116119178 HUAWSZWGSQCBJQ-UHFFFAOYSA-N 268.273 -0.260 50 20 CBGD NC(=O)c1ccc(NNC(=O)C[C@H]2CCOC2)nn1 1116776196 KUEVOYNBZYAQQX-SSDOTTSWSA-N 265.273 -0.555 50 20 CBGD CCCONC(=O)NNC(=O)C(=O)Nc1ccccn1 1118196568 AYEHMKJKEDRABP-UHFFFAOYSA-N 281.272 -0.308 50 20 CBGD O=C(CCO)NN=C1CS(=O)(=O)Cc2ccccc21 1118526197 VLRNENWYBUDELH-UHFFFAOYSA-N 282.321 -0.182 50 20 CBGD O=C(COC(F)F)NNC(=O)C(=O)Nc1ccccn1 1257445226 WBZSRXSJTSPYRJ-UHFFFAOYSA-N 288.210 -0.593 50 20 CBGD Cn1cc(C(=O)NNS(=O)(=O)c2cncc(F)c2)cn1 1318610976 BDZOFGAXDANULE-UHFFFAOYSA-N 299.287 -0.423 50 20 CBGD COCc1cc(C(=O)NNC(=O)NC2CC2)no1 1318736103 FWDPQDZTZJRDBS-UHFFFAOYSA-N 254.246 -0.073 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCCOCC(C)C 1318942075 NGAILVAALWAWEE-UHFFFAOYSA-N 275.305 -0.448 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H](C)N2C(=O)CCC2=O)n[nH]1 1319820376 CLSLBPKJDBFKNE-SSDOTTSWSA-N 293.283 -0.983 50 20 CBGD CON=CC(=O)NNc1nccc(N2CCOCC2)n1 1325704007 ZRMFKHHZJCPWMW-UHFFFAOYSA-N 280.288 -0.612 50 20 CBGD O=S(=O)(N1CC[C@@H](B(O)O)C1)N1C[C@H]2CC[C@H]1C2 1329657059 NTBYIPASHJGLQS-AEJSXWLSSA-N 274.151 -0.736 50 20 CBGD CCn1nccc1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1329753546 ISPNSJBKFZAEOF-SECBINFHSA-N 294.315 -0.988 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2snnc2C2CC2)N1 1333253285 MUTQYPGUENHBQF-LURJTMIESA-N 295.324 -0.545 50 20 CBGD NC(=O)N1CCC[C@H](C(=O)NNC(=O)CC(F)(F)F)C1 1334459274 RMYPQUUBUBFWCI-LURJTMIESA-N 296.249 -0.123 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H]1CN2CCN1C[C@H]2C 1347056307 QJEQLDCOPXAJIV-BDAKNGLRSA-N 256.306 -0.896 50 20 CBGD CCC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](B(O)O)C2)C1 1348489757 BNSORAPWXZWCDB-WDEREUQCSA-N 282.149 -0.290 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1c(Br)nnn1C 1350779260 ZRYHLQCOYWFLGZ-YFKPBYRVSA-N 292.137 -0.465 50 20 CBGD CCOC(Cn1cc(C(=O)N(C)N)nn1)OCC 1573795762 KWMAXJYXVAGART-UHFFFAOYSA-N 257.294 -0.377 50 20 CBGD CC(=O)NNC(=O)Nc1cnn(C(C)(C)C(=O)O)c1 1589150036 ITNWMYFNZANAOP-UHFFFAOYSA-N 269.261 -0.125 50 20 CBGD COC(=O)NNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1591275599 PNAOCBQHTRKCPJ-UHFFFAOYSA-N 298.284 -0.584 50 20 CBGD CNC(=O)NNC(=O)Cc1cccc(C(=O)O)c1 1598650514 HRBQAALOJHUHOZ-UHFFFAOYSA-N 251.242 -0.113 50 20 CBGD Cc1nnc(NNC(=O)c2ccc(C(=O)O)cn2)n1C 1608018541 JTSSLBBASHEIAO-UHFFFAOYSA-N 276.256 -0.026 50 20 CBGD CCCS(=O)(=O)CC(=O)NNC(=O)NC1CC1 49144729 ZGUVPGMHYYMHPB-UHFFFAOYSA-N 263.319 -0.696 50 20 CBGD Cc1ccc(C(=O)NNC(=O)N[C@H]2CCN(C)C2=O)o1 84160434 MFCSEXYAXZGHPN-QMMMGPOBSA-N 280.284 -0.237 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(C(=O)N(C)C)cc1 113425937 LAABBICNCJRFTR-UHFFFAOYSA-N 292.339 -0.289 50 20 CBGD COC(=O)[C@@H]1COCCN1S(=O)(=O)CCl 159757120 BWJXPRQOWDIMDW-LURJTMIESA-N 257.695 -0.614 50 20 CBGD CCN(C)C(=O)CNC(=O)NNc1cccnn1 186199551 CGKDYIIKSOEFNE-UHFFFAOYSA-N 252.278 -0.419 50 20 CBGD CC(=O)NCC(=O)NNC(=O)Cc1ccc(F)cc1 192571150 WEZJLUFZLVNPHR-UHFFFAOYSA-N 267.260 -0.348 50 20 CBGD COCCCNC(=O)NNC(=O)CCCNC(=O)OC 264422560 IPXQSYVSYRYUAC-UHFFFAOYSA-N 290.320 -0.511 50 20 CBGD COC(=O)C[C@@H](C)C(=O)NNc1ncnc2nc[nH]c12 268391701 CZQSNJYSUAJXFS-ZCFIWIBFSA-N 278.272 -0.005 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H](CC)C(=O)OC 281388769 XTDHBPFGSZDHAO-ZETCQYMHSA-N 259.331 -0.133 50 20 CBGD CO[C@@H](C(=O)NNC(=O)c1cc(C)n[nH]1)c1cnn(C)c1 281426500 AMWSLASMZNNVRE-SNVBAGLBSA-N 292.299 -0.400 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNc1ncncc1F 294186088 XBDINOHECCEFSL-SSDOTTSWSA-N 270.268 -0.104 50 20 CBGD O=C(CN1CCCCC1=O)NNC(=O)c1cccnc1 299208111 DFFXCVYRNAGUTG-UHFFFAOYSA-N 276.296 -0.145 50 20 CBGD CN(C)C(=O)NNC(=O)Cn1nc2n(c1=O)CCCCC2 368794428 IRHRXXIGFCVOAH-UHFFFAOYSA-N 296.331 -0.926 50 20 CBGD CN1C(=O)CN(C(=O)/C(C#N)=C/c2cnn(C)c2)CC1=O 491103347 KVQVZSIHWDMFIV-XCVCLJGOSA-N 287.279 -0.846 50 20 CBGD C[C@@H]1CN(C)CC[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584936332 CFUHJSOROCHLMN-RNCFNFMXSA-N 294.135 -0.425 50 20 CBGD C[C@H](CCCO)NC(=O)c1cc(B(O)O)ccc1F 584959089 WXAHGZLKOGOJDA-MRVPVSSYSA-N 269.081 -0.604 50 20 CBGD O=C(NC[C@H](CO)C1CC1)c1cc(B(O)O)ccc1F 584990975 PSUQMUYBNYSBBP-SECBINFHSA-N 281.092 -0.746 50 20 CBGD C[C@@](O)(CNCc1ccc(B(O)O)o1)c1ccco1 585025762 BYLNMYZJEJCXDR-GFCCVEGCSA-N 265.074 -0.450 50 20 CBGD C[C@@H]1[C@H](NCc2ccc(B(O)O)o2)CCCN1C 585034642 KVLVXFPPDUYOPP-MWLCHTKSSA-N 252.123 -0.468 50 20 CBGD Cc1nnc(CNCc2cccc(B(O)O)c2)s1 585035471 ULNIZDYIFNLXDD-UHFFFAOYSA-N 263.131 -0.184 50 20 CBGD C[C@@H]1C[C@H](NCc2ccc(B(O)O)o2)c2ncnn21 585046777 YFOGCFDWCORYSF-APPZFPTMSA-N 262.078 -0.654 50 20 CBGD CC(C)(C)N1C[C@@H](CNCc2ccc(B(O)O)o2)CC1=O 585049633 ILVLEEQGHWXEGE-SNVBAGLBSA-N 294.160 -0.304 50 20 CBGD O=C(NNC(=O)C1(C(=O)NC2CC2)CCC1)NC1CC1 729343388 PVKPANCRVIXLKU-UHFFFAOYSA-N 280.328 -0.072 50 20 CBGD C[C@H]1COCCN1CCNC(=O)NNC(=O)c1ccc[nH]1 729613224 AQKKVKNRDVTGET-JTQLQIEISA-N 295.343 -0.321 50 20 CBGD O=C(CC1(O)CCCC1)NNC(=O)C(=O)NC1CC1 735841081 NKQALAAFAJOTBS-UHFFFAOYSA-N 269.301 -0.892 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H](NC(=O)O)C(C)C 738335897 ZYMXUOOWLYCADC-MRVPVSSYSA-N 283.288 -0.229 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1C[C@@H]1C(=O)O 738827658 KGFJFJJLVRPMCU-WDSKDSINSA-N 252.230 -0.800 50 20 CBGD CN(C)C(=O)NNC(=O)CCCN1C(=O)NC(C)(C)C1=O 746003800 STMNCYYQYRGRSD-UHFFFAOYSA-N 299.331 -0.601 50 20 CBGD CCNC(=O)NNC(=O)C1(S(C)(=O)=O)CCCC1 749852385 ZFJWPPIFRXJWBB-UHFFFAOYSA-N 277.346 -0.306 50 20 CBGD C[C@@H]1CC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)CN1C 761805037 WLAQRLQJNYGYQO-BDAKNGLRSA-N 273.358 -0.383 50 20 CBGD C[C@H]1C[C@@H](C(=O)NNC(=O)CN(C)C)CCC1=O 764106211 RWKKDRSGPPMEJI-IUCAKERBSA-N 255.318 -0.299 50 20 CBGD CCC1(C(=O)NNc2nc(O)c3cnn(C)c3n2)COC1 770980984 VPZHVFOGQJRVAS-UHFFFAOYSA-N 292.299 -0.061 50 20 CBGD CNC(=O)NNC(=O)c1cc([N+](=O)[O-])c(F)cc1N 801839136 XBOIQTWLSKWOBP-UHFFFAOYSA-N 271.208 -0.110 50 20 CBGD CN1CCN(C(=O)NNC(=O)COC(C)(C)C)CC1 807382363 BABRKLOSGLKGIN-UHFFFAOYSA-N 272.349 -0.210 50 20 CBGD COCCN(C)NC(=O)Cc1c(C)[nH]c2ccnn2c1=O 808075536 QPPXGXFNWUOTPV-UHFFFAOYSA-N 293.327 -0.517 50 20 CBGD Cn1nncc1NNC(=O)[C@H]1COCCN1C1CCCC1 816772298 UMRZWCRPNQPBTI-LLVKDONJSA-N 294.359 -0.098 50 20 CBGD O=C(NNc1ncncc1F)[C@@H]1CN2CCCN1CC2 817078467 GDHYSSQIQAZEIQ-JTQLQIEISA-N 280.307 -0.551 50 20 CBGD CCOC(=O)[C@@H](CC(=O)NN(CC)CCO)C(C)=O 823885004 RTLQXUCCHPBWIB-JTQLQIEISA-N 274.317 -0.510 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 823977216 QZOWAMYGIAKRNH-QMMMGPOBSA-N 291.307 -0.130 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CC[C@H](C(N)=O)C1 826935288 YBIROTFZZPIUPG-QEYWKRMJSA-N 298.343 -0.604 50 20 CBGD COC(=O)c1nscc1S(=O)(=O)NNC(=O)O 831471043 NCNABWCWUXUCBU-UHFFFAOYSA-N 281.271 -0.609 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCS(=O)(=O)C1)c1ccncc1 845072701 QRBUMGLMSFQYGB-SNVBAGLBSA-N 297.336 -0.333 50 20 CBGD Cc1cccnc1NNC(=O)C1(S(N)(=O)=O)CC1 846002038 KUEUQEMZZYZWPP-UHFFFAOYSA-N 270.314 -0.346 50 20 CBGD O=C(Cn1cc(C2CC2)cn1)NNC(=O)C(=O)NC1CC1 854290945 KISFJJSUXNZORL-UHFFFAOYSA-N 291.311 -0.814 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@@H]2CC(=O)N2)c(F)c1 854899518 OIOHABLZNMZEDP-VIFPVBQESA-N 281.243 -0.056 50 20 CBGD CN1CC[C@H](C(=O)NNC(=S)NCC2CCC2)C1=O 855089337 MWNHUHYQZPGMLP-SECBINFHSA-N 284.385 -0.240 50 20 CBGD C[C@H](NC(=S)NNC(=O)Cn1cccnc1=O)C1CC1 855103346 QRAQNADEUVNOAC-QMMMGPOBSA-N 295.368 -0.463 50 20 CBGD CC(=O)NCCNC(=O)NNc1ncc(Cl)cn1 856830335 KDXXTJZQFQMHRC-UHFFFAOYSA-N 272.696 -0.108 50 20 CBGD CCC[C@@H]1C[C@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858263755 MXJDZTMUOFEEAW-HRDYMLBCSA-N 268.317 -0.216 50 20 CBGD Cc1ccc(C(=O)NNC(=O)NC[C@H]2COCCN2)o1 861683413 NLXSSWOASGMBNS-VIFPVBQESA-N 282.300 -0.480 50 20 CBGD COc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)ccc1F 862457269 FMFJDEAIOWJWFD-SECBINFHSA-N 295.270 -0.126 50 20 CBGD O=C(CC(=O)NNC(=O)c1cn[nH]c1)NCC(F)(F)F 862470809 KJICAYLSRZVSAQ-UHFFFAOYSA-N 293.205 -0.761 50 20 CBGD Cc1cccc(NNC(=O)CN2CCCS2(=O)=O)n1 862523974 QDYUDXMNYCXUDR-UHFFFAOYSA-N 284.341 -0.131 50 20 CBGD COC1CC(C(=O)NNc2nnc(C)c(O)n2)C1 863854827 BVPXKJLFRZFWFU-UHFFFAOYSA-N 253.262 -0.246 50 20 CBGD CN1CCC(C=NNC(=O)C(=O)NC2CC2)CC1 872338068 UHOJPPLSPKSWEK-UHFFFAOYSA-N 252.318 -0.291 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2CC23CCC3)N1 873080606 QXFDCVGMWMQBQT-HTQZYQBOSA-N 266.301 -0.462 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 894133933 MIXQKJLUVHCHOE-UFSYXXTASA-N 251.330 -0.013 50 20 CBGD O=C(NCc1ncc2c(n1)CCC2)c1ccc(B(O)O)cc1 909642402 PRFNCOHOQUKPRG-UHFFFAOYSA-N 297.123 -0.425 50 20 CBGD COC(=O)C(=O)NN=Cc1cc(C(=O)OC)ccc1O 1116195957 QMCBDZWZTNNPJC-UHFFFAOYSA-N 280.236 -0.198 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@H]2CC23CCOCC3)nn1 1116252479 DMZAHBBPVJNIGF-MRVPVSSYSA-N 291.311 -0.165 50 20 CBGD CCc1cc(C(=O)NNc2nccn(C)c2=O)nn1C 1116528260 VBYAHXVPOAYVEE-UHFFFAOYSA-N 276.300 -0.167 50 20 CBGD O=C(CCO)NNC(=O)Nc1cnn(CC(F)(F)F)c1 1116616334 GOHFECZVPHLRIK-UHFFFAOYSA-N 295.221 -0.020 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1ccnn1C 1118173284 YCOLAMFCPGZDLJ-YUMQZZPRSA-N 288.329 -0.845 50 20 CBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1nncc(N)c1Cl 1118372926 AAZRMDWXFRHITR-WHFBIAKZSA-N 284.707 -0.333 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@H]1CO 1263119324 DPOKFIFIGSUVGR-XHNCKOQMSA-N 257.290 -0.781 50 20 CBGD CC(C)(C)NC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1319100297 XFMOXDYJTWCLKV-SSDOTTSWSA-N 277.346 -0.450 50 20 CBGD CN(NC(=O)c1cccc(CS(N)(=O)=O)c1)C(N)=O 1320142638 NOGRKGXEUJYSSS-UHFFFAOYSA-N 286.313 -0.870 50 20 CBGD CNS(=O)(=O)c1ccc(C(=O)NNc2cccnn2)o1 1320174741 NBHFVRYYIKNWSM-UHFFFAOYSA-N 297.296 -0.265 50 20 CBGD CN(C)C(=O)NNC(=O)c1cnc2c(c1)nnn2C 1320991732 INOIYTPKURSBTE-UHFFFAOYSA-N 263.261 -0.721 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C1=NN(C)C(=O)CC1 1321683913 VMWNEHSDICTMGB-UHFFFAOYSA-N 278.272 -0.913 50 20 CBGD Cn1nncc1CNC(=O)NNC(=O)C(C)(C)C 1323462924 XHZHAQHHVJPQST-UHFFFAOYSA-N 254.294 -0.308 50 20 CBGD Cc1cc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)ncn1 1326191894 BOJUFGFCBOTHPD-SECBINFHSA-N 297.340 -0.395 50 20 CBGD Cn1nncc1NNC(=O)[C@H]1CCc2n[nH]cc2C1 1328637103 OHYNBSCDJWLICM-ZETCQYMHSA-N 261.289 -0.214 50 20 CBGD CC(=O)N(C)CC(=O)NNc1ccc(-n2ccnc2)nn1 1328670332 VZFWEXRBADWVJU-UHFFFAOYSA-N 289.299 -0.416 50 20 CBGD COC(=O)N(C)NC(=O)NC1CCN(CC#N)CC1 1330223798 RNVFILNLUJZKLH-UHFFFAOYSA-N 269.305 -0.113 50 20 CBGD CC(C)(C)S(=O)(=O)CC(=O)N1CC[C@H](B(O)O)C1 1351728839 JMGOIGUOENREAR-QMMMGPOBSA-N 277.151 -0.725 50 20 CBGD CCN(CCO)NC(=O)c1cn(C2CCOCC2)nn1 1352229619 LIMGDKDOILYVKP-UHFFFAOYSA-N 283.332 -0.411 50 20 CBGD C[C@@H](O)[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)O 1599843825 LTAHRBKUWVQAAD-MYYKYRARSA-N 278.268 -0.723 50 20 CBGD C[C@H](CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)C(=O)O 1603183729 AHCHLTPEKTVMIE-PRJMDXOYSA-N 273.289 -0.538 50 20 CBGD O=C(NNC(=O)C(=O)O)Nc1ccc2c(c1)OCCO2 1608478502 ZMGGZEMPZZKGHR-UHFFFAOYSA-N 281.224 -0.305 50 20 CBGD COC(=O)N(C)NC(=O)c1ncc(-c2nn[nH]n2)cc1C 1609300586 XEJHMWDPTJDGED-UHFFFAOYSA-N 291.271 -0.087 50 20 CBGD CC1=C/C(=C/NNC(=O)C[N+](C)(C)C)N=C1C(=O)O 1776011848 UDPZAVFRKMQZNH-UHFFFAOYSA-O 267.309 -0.360 50 20 CBGD O=S(=O)(CCCCl)NCCN1CCOCC1 36881916 WIJOUEFIBMFNLA-UHFFFAOYSA-N 270.782 -0.133 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CO)cc1[N+](=O)[O-] 180949740 OHBXOHRMLFOFCK-UHFFFAOYSA-N 253.214 -0.343 50 20 CBGD COC[C@@H](CCO)NS(=O)(=O)CCCCl 228444185 HCAWUQWGRNCOCY-MRVPVSSYSA-N 259.755 -0.068 50 20 CBGD CC#CCNC(=O)NNC(=O)CNC(=O)c1cccs1 270736447 SOOSVPIZBRLCJH-UHFFFAOYSA-N 294.336 -0.168 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=S)NCCSC 271400616 KFBVDQSMEKSBSN-UHFFFAOYSA-N 294.402 -0.457 50 20 CBGD O=C(NNc1ccc(Cl)nn1)[C@H]1CN2CCCN1CC2 362078236 LNMDXLGIIWGHDF-SECBINFHSA-N 296.762 -0.037 50 20 CBGD C[C@H](CN1CCCC1=O)NC(=O)c1cccc(B(O)O)c1 584935506 MSIROOYTKGFOMC-SNVBAGLBSA-N 290.128 -0.893 50 20 CBGD Cc1noc([C@H](C)NC(=O)c2cccc(B(O)O)c2)n1 584938048 VHAIYTASZANHNP-ZETCQYMHSA-N 275.073 -0.451 50 20 CBGD CC[C@H](O)CCCNC(=O)c1ccc(B(O)O)c(F)c1 584953246 AJYAYASQGPVZJN-JTQLQIEISA-N 283.108 -0.214 50 20 CBGD NC(=O)CC1(NC(=O)c2ccc(B(O)O)c(F)c2)CCC1 584957971 MYVJQVNMUSYNFG-UHFFFAOYSA-N 294.091 -0.967 50 20 CBGD CC(C)(O)CN(C(=O)c1ccc(B(O)O)cc1)C1CC1 584973845 KICLSYGPFZLWGG-UHFFFAOYSA-N 277.129 -0.258 50 20 CBGD C[C@@H](CO)N(CC1CCC1)C(=O)c1cccc(B(O)O)c1 584974429 OSUAFDVEUUYMJR-NSHDSACASA-N 291.156 -0.011 50 20 CBGD O=C(N[C@@H]1C[C@@H]2OCCC[C@H]21)c1cc(B(O)O)ccc1F 584978816 DKQBYCJZOLTROD-BIMULSAOSA-N 293.103 -0.197 50 20 CBGD C[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)CC[S@](=O)C1 584983235 PQZBRFGYWXDMCF-SBKAZYGRSA-N 295.169 -0.793 50 20 CBGD CCC[C@H](NC(=O)Cc1ccccc1)C(=O)NCB(O)O 585059519 QIOGKMYXKCPIEF-LBPRGKRZSA-N 292.144 -0.358 50 20 CBGD CCOCCOc1ccccc1C(=O)NCB(O)O 585059535 QRYCKIFOROGKEK-UHFFFAOYSA-N 267.090 -0.156 50 20 CBGD O=C(NN=Cc1ccc([N+](=O)[O-])o1)C(=O)NC1CC1 744816999 BRTGHCZHJALEHS-UHFFFAOYSA-N 266.213 -0.084 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1cccc(C(=O)O)c1 745833698 DCEJFOWXAVZZBP-UHFFFAOYSA-N 287.297 -0.151 50 20 CBGD Cc1oc(S(N)(=O)=O)cc1C(=O)NNC(=O)C(C)C 754179711 GUJUJUGDZKSODU-UHFFFAOYSA-N 289.313 -0.348 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)Sc1ncnn1C 758426522 PWRKOEHZVUIOIS-LURJTMIESA-N 257.319 -0.147 50 20 CBGD CO[C@H](C(=O)NNC(=O)CNC(=O)c1ccco1)C(C)C 769912624 WARPFYRJBYHNIJ-NSHDSACASA-N 297.311 -0.172 50 20 CBGD Cc1nc([N+](=O)[O-])cn1CCC(=O)NN(C)C(N)=O 770438338 RIMAQAMFHIINLD-UHFFFAOYSA-N 270.249 -0.468 50 20 CBGD C[C@@H]1CC[C@@H](C(=O)NNC(=O)C(=O)NC2CC2)C1 776339838 XEVSVMLDGFBNDK-HTQZYQBOSA-N 253.302 -0.151 50 20 CBGD CC(C)(O)C(=O)NN=C1C(=O)Nc2cc(O)ccc21 785461604 NJVQEXDBWQIOQG-UHFFFAOYSA-N 263.253 -0.065 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)/C=C\COC 786598198 AZAXLRDUSLNNMF-SLGIHZDVSA-N 258.274 -0.322 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1CCC[C@H](C(N)=O)C1 786845220 MCHVWGNQNUWJBJ-YUMQZZPRSA-N 256.306 -0.420 50 20 CBGD O=C(CN[C@@H]1CCC[C@H]1CCO)NNC(=O)C1CC1 794576234 IPLVHMPCWGNVHQ-GXSJLCMTSA-N 269.345 -0.316 50 20 CBGD CN(C)[C@H](C(=O)NNC(=O)C1CCC1)c1cncn1C 798291920 PMBKMYSQWSTBQG-NSHDSACASA-N 279.344 -0.030 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cnn3c2OCCC3)n[nH]1 815886630 CKONSTKAKIZHJO-UHFFFAOYSA-N 290.283 -0.228 50 20 CBGD CCOCCn1cc(C(=O)NN(C)[C@@H](C)CO)cn1 823907052 GVIXKLRFLQQJHG-JTQLQIEISA-N 270.333 -0.123 50 20 CBGD CCCN1C[C@H](C(=O)NN(C)[C@H](C)CO)CC1=O 823917017 CWAXNHCPVQYCGG-NXEZZACHSA-N 257.334 -0.411 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=O)COc1ccccc1O 826774544 WCYQELSZFOWYPE-LLVKDONJSA-N 298.295 -0.420 50 20 CBGD C[C@@H](Oc1ccccn1)C(=O)NNC(=O)C(C)(C)O 830690048 FYLOOMIKGBOIIW-MRVPVSSYSA-N 267.285 -0.233 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccn(C)n1 831401468 VFQGLMXQLUCMSP-YUMQZZPRSA-N 267.289 -0.002 50 20 CBGD CON(C)C(=O)CCC(C)=NNC(=O)CN(C)C 834954273 LNVHLCRFMOEBCC-UHFFFAOYSA-N 258.322 -0.160 50 20 CBGD NC[C@@H]1CCCCN1CC(=O)NNC(=O)C1CC1 843348058 RTXJFTUOJHRSSV-JTQLQIEISA-N 254.334 -0.643 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)NCC1CC1 843972586 UXUCBWOFSGOWHJ-APPZFPTMSA-N 269.301 -0.915 50 20 CBGD CCCN(C)CC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843976201 WCHGTGGFODMXDS-UWVGGRQHSA-N 257.334 -0.099 50 20 CBGD COCCN(C)NC(=O)c1ccnc(N)c1[N+](=O)[O-] 848055923 JJNJHOZSMCYZHZ-UHFFFAOYSA-N 269.261 -0.205 50 20 CBGD COCCN(C)NC(=O)[C@@H]1CCCS1(=O)=O 848055929 JKFWLOFUMAGCCP-QMMMGPOBSA-N 250.320 -0.827 50 20 CBGD COCCN(C)NC(=O)c1ccc(S(C)(=O)=O)o1 848377279 GJKQAAOMQOKDBZ-UHFFFAOYSA-N 276.314 -0.094 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)Cc1nnc(O)o1 852189068 VEELBKSSTTUJBA-LURJTMIESA-N 271.277 -0.847 50 20 CBGD CO[C@H](C=NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1 853285226 RRDPKFNBJCSHOO-NXEZZACHSA-N 274.342 -0.052 50 20 CBGD O=C1C[C@@H](C(=O)NCC(Cl)Cl)NC(=O)N1 854451198 UNXXEOBLJQVLQC-VKHMYHEASA-N 254.073 -0.496 50 20 CBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)c1cccc(F)n1 856427441 XPKLKSXBFGZSOZ-XNCJUZBTSA-N 282.231 -0.521 50 20 CBGD CN(CCNC(=O)NNC(=O)c1cn[nH]c1)C1CC1 858281472 KJMMROXDWLWTEF-UHFFFAOYSA-N 266.305 -0.552 50 20 CBGD O=C(CCOCC(F)(F)F)NNC(=O)[C@H]1CCC(=O)N1 862452801 ZMDWKNMIMLZDPF-ZCFIWIBFSA-N 297.233 -0.619 50 20 CBGD COC(=O)CCC(C)=NNC(=O)[C@@H]1CCC(=O)N1 863147401 DYYUOXKLBAFHGM-QMMMGPOBSA-N 255.274 -0.290 50 20 CBGD COc1ccsc1C(=O)NNC(=O)CS(C)(=O)=O 863461573 NRPVIRWLWNZMCW-UHFFFAOYSA-N 292.338 -0.438 50 20 CBGD C=CCC(F)(F)C(=O)NNC(=O)CS(C)(=O)=O 863466538 XLPKVSDAXVPMEK-UHFFFAOYSA-N 270.257 -0.610 50 20 CBGD O=C1NC(=O)N2CCN(S(=O)(=O)CCCCl)C[C@H]12 882048067 CCWWNDRGVFDGEK-SSDOTTSWSA-N 295.748 -0.819 50 20 CBGD CCN(CC)CC(=O)NNC(=O)c1cccnn1 882059413 WNJYDQLEHHGLJK-UHFFFAOYSA-N 251.290 -0.421 50 20 CBGD Cc1cc(O)cc(=O)n1CC(=O)NN(C)C[C@H](C)O 910165652 JJXFBWNTDBIKEF-VIFPVBQESA-N 269.301 -0.794 50 20 CBGD CN1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)[C@@H](CO)C1 912737612 QKSIEUFSOHFLPP-YQJFHSMKSA-N 289.339 -0.538 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccc([N+](=O)[O-])cc1 916272239 GNZHCOIEWOCDFX-UHFFFAOYSA-N 250.214 -0.080 50 20 CBGD COCCn1c(C)cc(C=NNC(=O)C(N)=O)c1C 916274938 ZLPYUMBIVJOZRY-UHFFFAOYSA-N 266.301 -0.313 50 20 CBGD Cc1cc(OCC(=O)NNC(=O)[C@@H]2CCOC2)no1 921147627 ICYWOAGZFGIVLA-MRVPVSSYSA-N 269.257 -0.454 50 20 CBGD O=C(NNC(=O)c1ccnc(F)c1)C(=O)NC1CC1 1115928381 CAUXUYMHKWRLNA-UHFFFAOYSA-N 266.232 -0.740 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)[C@@H]1CCCOC1 1118806339 VCZDTYDXXMURFF-AEJSXWLSSA-N 298.343 -0.590 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1C#N 1254905129 KTONGWRCWGZLRE-UHFFFAOYSA-N 294.242 -0.570 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1cnc2n1CCCC2 1261088546 OOFOEQRGJBPQQM-UHFFFAOYSA-N 295.299 -0.777 50 20 CBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)Cc1ccncc1 1261548425 PJKCYQLLGMJKMH-NXEZZACHSA-N 276.296 -0.717 50 20 CBGD CCCNC(=O)NNC(=O)[C@H]1CCCN(C(N)=O)C1 1318039325 IKPCKYQDEVMNRK-QMMMGPOBSA-N 271.321 -0.483 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cnns1 1318043139 NNAJHGDILKOKMN-UHFFFAOYSA-N 257.275 -0.775 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCCc1c[nH]nc1C 1318942037 MPOUDQXRZWBNLO-UHFFFAOYSA-N 283.288 -0.846 50 20 CBGD COc1ccc(NNC(=O)c2ccc(=O)n(C)n2)nc1 1320651434 UHCJHUMJQWTQKK-UHFFFAOYSA-N 275.268 -0.059 50 20 CBGD O=C(NNC(=O)c1conc1C1CC1)C(=O)N1CCCC1 1325890080 WHUOWHALPCFWEG-UHFFFAOYSA-N 292.295 -0.065 50 20 CBGD CC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H](B(O)O)C1 1331895604 MTNLLTTWVUWQPA-GHMZBOCLSA-N 268.122 -0.537 50 20 CBGD COC(=O)[C@@H]1CC[C@H](NCc2ccccc2B(O)O)C1 1336843723 SFFWPQKIZYVPFA-PWSUYJOCSA-N 277.129 -0.202 50 20 CBGD Cc1cccc(NC(=O)C(=O)NNC(=O)CCO)c1 1337980242 DXVTVDRJUHIQCU-UHFFFAOYSA-N 265.269 -0.537 50 20 CBGD Cc1nn(C(F)F)c(C)c1CC(=O)NNC(=O)CO 1341891047 OAUGPLPHLDUUTL-UHFFFAOYSA-N 276.243 -0.423 50 20 CBGD CS(=O)(=O)c1ccc(NNC(=O)C[C@H]2CC(=O)N2)cc1 1347732895 OODIBUNLBMJWQB-SECBINFHSA-N 297.336 -0.188 50 20 CBGD O=C(NCC1=CCCOC1)NNC(=O)c1cn[nH]c1 1348110307 HMVXFAGRFWTZBB-UHFFFAOYSA-N 265.273 -0.300 50 20 CBGD O=C1CC[C@H](C(=O)NN=Cc2cnc3n2CCC3)N1 1348411118 IQWRYHQKDVREOI-SECBINFHSA-N 261.285 -0.442 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H]1CN2CCN1C[C@H]2C 1520824251 HTKPSHRJVNJVKY-GHMZBOCLSA-N 283.376 -0.495 50 20 CBGD CCC[C@@H](C)N1C[C@H](C(=O)NNC(=O)CCCN)CC1=O 1577344530 DNSJILQEIWWECE-GHMZBOCLSA-N 298.387 -0.090 50 20 CBGD CC(C)(C)[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)O 1590441488 RVFQFNPBIVMZIN-SNVBAGLBSA-N 279.101 -0.405 50 20 CBGD CN(NC(=O)c1csc(-c2nn[nH]n2)c1)C(N)=O 1591154214 IFQSITVGNWVSBE-UHFFFAOYSA-N 267.274 -0.417 50 20 CBGD O=C(O)CCC(=O)NNC(=O)COc1ccccc1O 1594996949 XBIWIVMVZIUXFV-UHFFFAOYSA-N 282.252 -0.217 50 20 CBGD CCNC(=O)NNC(=O)c1cccc(C(=O)O)n1 1596470964 QOJWYTCBMCFWQP-UHFFFAOYSA-N 252.230 -0.256 50 20 CBGD O=C(O)Cc1ccc(NNC(=O)[C@@H]2CC(=O)N2)cc1 1602127047 DEJZHOKQOHNJGW-VIFPVBQESA-N 263.253 -0.355 50 20 CBGD O=C(O)[C@H]1C[C@@H](O)CN1CCI 1608606141 FYOOZZGSINNNOQ-PHDIDXHHSA-N 285.081 -0.059 50 20 CBGD COC[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 112985362 WHTLEUPOMIDKJV-SNVBAGLBSA-N 269.345 -0.098 50 20 CBGD C[C@@]1(O)CCCN(CC(=O)NNC(=O)C2CC2)C1 124796653 KGHZKNKVMQFVQO-GFCCVEGCSA-N 255.318 -0.609 50 20 CBGD CC[C@H](C)OCC(=O)NNC(=O)c1cnn(C)c1 152500093 PFGOEELLANYLAN-QMMMGPOBSA-N 254.290 -0.004 50 20 CBGD CN1CC[C@@H](NC(=O)NNC(=O)C(C)(C)C)C1=O 172378566 QLNLKTSFBLXGRE-SSDOTTSWSA-N 256.306 -0.406 50 20 CBGD COCCn1ccc(C(=O)NNC(=O)c2ccncc2)n1 188878935 FAOSYCWORJCXMB-UHFFFAOYSA-N 289.295 -0.001 50 20 CBGD CN(C)C[C@](C)(O)CNS(=O)(=O)CBr 227981876 SFFPBJWFCLINIK-SSDOTTSWSA-N 289.195 -0.429 50 20 CBGD CNc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)cn1 287761832 JDVWEYNDRYRHGD-UHFFFAOYSA-N 292.343 -0.275 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 365649386 JJJPCLSECOBWFE-LPEHRKFASA-N 271.317 -0.270 50 20 CBGD COC(=O)NCCC(=O)NNC(=O)c1cc(C)[nH]n1 493606567 WJKTUBLFMUTHBV-UHFFFAOYSA-N 269.261 -0.775 50 20 CBGD COCCc1noc(COc2ccc(B(O)O)cc2)n1 584909738 PTLJUEDHOBRCIA-UHFFFAOYSA-N 278.073 -0.483 50 20 CBGD C[C@@H](C#N)CNC(=O)c1ccc(B(O)O)c(F)c1 584941171 FPSHETGIBMLPJN-ZETCQYMHSA-N 250.038 -0.605 50 20 CBGD CC[C@@H](CCO)NC(=O)c1cc(B(O)O)ccc1F 584962520 HXRGYDITIQTJSA-VIFPVBQESA-N 269.081 -0.604 50 20 CBGD CC[C@](C)(CO)NC(=O)c1cc(B(O)O)ccc1F 584967569 MCWOEEOPRLIWJL-GFCCVEGCSA-N 269.081 -0.604 50 20 CBGD O=C(N[C@H]1CCSC1)c1ccc(B(O)O)cc1 584985161 HKMYITQXCCJGIS-JTQLQIEISA-N 251.116 -0.398 50 20 CBGD CSC[C@H](CCO)NCc1ccccc1B(O)O 585029707 RQLDSGGAXDEBLE-NSHDSACASA-N 269.175 -0.430 50 20 CBGD O=C1C[C@@H](NCc2cccc(B(O)O)c2)[C@@H]2CCCCN12 585042508 SNLHEQVODQZWIZ-KGLIPLIRSA-N 288.156 -0.391 50 20 CBGD CC(C)(O)Cc1nc(-c2cccc(B(O)O)c2)no1 585052635 SMDKERPDHLQNDE-UHFFFAOYSA-N 262.074 -0.270 50 20 CBGD O=S(=O)(c1ccc2c(c1)CCO2)N1CC[C@@H](B(O)O)C1 585061183 RLYNEFBOAQNUGT-SNVBAGLBSA-N 297.141 -0.141 50 20 CBGD Nc1ccc(N2CC[C@H](B(O)O)C2)nc1[N+](=O)[O-] 585078600 HRBDEYXFCANSCG-LURJTMIESA-N 252.039 -0.375 50 20 CBGD CC(=O)Nc1nc(C(=O)NNC(=O)c2cnn[nH]2)cs1 729457632 LVRHJLFAUDKWNP-UHFFFAOYSA-N 295.284 -0.706 50 20 CBGD CCS(=O)(=O)CC(C)=NNC(=O)[C@@H](C)OCCOC 748260761 XRNVDWBNVGVIKD-SNVBAGLBSA-N 294.373 -0.035 50 20 CBGD CN1CCC[C@H](NC(=O)NNC(=O)C(C)(C)C)C1=O 748665166 QXEIYCGEIPJDRK-QMMMGPOBSA-N 270.333 -0.016 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc(-n2cccn2)nc1 755851214 MVZLHZNGDYAHRB-UHFFFAOYSA-N 276.256 -0.588 50 20 CBGD CCCNC(=O)c1ccc(NC(=O)NNC(=O)CO)cc1 756123236 DPHLYEIZVQNIEG-UHFFFAOYSA-N 294.311 -0.029 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1C[C@@H]1C1CC1 758034369 FZBMXRJASGWXDK-NBEYISGCSA-N 289.357 -0.882 50 20 CBGD O=C(NNC(=O)C1CCC1)c1n[nH]cc1[N+](=O)[O-] 764215464 NCNGDSLPUYIOFH-UHFFFAOYSA-N 253.218 -0.121 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(Cl)c(F)c1 764428308 FBMQDZOXMCWNTK-UHFFFAOYSA-N 289.650 -0.443 50 20 CBGD Cn1ncc2c1C[C@H](C(=O)NNC(=O)C(C)(C)O)CC2 798997677 KPCCOPAPCMRYDJ-MRVPVSSYSA-N 280.328 -0.557 50 20 CBGD O=C(CO)NNC(=O)N[C@@H](C1CC1)C(F)(F)F 808866716 YGVLKHCSCFDBGN-LURJTMIESA-N 255.196 -0.350 50 20 CBGD COCCCNC(=O)NN=C1CCS(=O)(=O)CC1 814819673 PEUOILHGXUVLLV-UHFFFAOYSA-N 277.346 -0.113 50 20 CBGD COc1cc(C)nc(NNC(=O)C(OC)OC)n1 820502383 PEVOINKFBSLQDM-UHFFFAOYSA-N 256.262 -0.144 50 20 CBGD CC(=O)N[C@H](C(=O)NN(C)C[C@@H](C)O)C(C)(C)C 821217543 KVBBAAFRMNFGHK-PSASIEDQSA-N 259.350 -0.119 50 20 CBGD CCn1cc(-c2nn[nH]n2)c(=O)n(C/C=C\C#N)c1=O 821565511 WDCDXQIUDBVGLW-ARJAWSKDSA-N 273.256 -0.710 50 20 CBGD CCN(CCO)NC(=O)c1cccnc1N1CCOCC1 823841148 DDHYNVXLSKVUTN-UHFFFAOYSA-N 294.355 -0.123 50 20 CBGD CCOC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 825524019 YOHWRVORMGQUQY-UHFFFAOYSA-N 265.233 -0.414 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC(=O)N(C)C[C@@H]1C 827276380 ZXDQIBJXVGDAMZ-LPEHRKFASA-N 298.343 -0.685 50 20 CBGD O=C(NNC(=O)[C@@H]1CSCCS1)c1ncon1 832825819 IIEWFBMRJXIERN-YFKPBYRVSA-N 274.327 -0.321 50 20 CBGD Cc1c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cnn1C 843641731 HNQAOFGPVPJCKI-IUCAKERBSA-N 266.301 -0.085 50 20 CBGD CCCN(C)CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843976200 WCHGTGGFODMXDS-NXEZZACHSA-N 257.334 -0.099 50 20 CBGD COC(=O)N(C)NS(=O)(=O)N1CCCOCC1 845932306 RCPDMUIKSSYINM-UHFFFAOYSA-N 267.307 -0.844 50 20 CBGD CC(C)c1nccnc1NNC(=O)C1(S(N)(=O)=O)CC1 846019051 OESZNTSVOIVENL-UHFFFAOYSA-N 299.356 -0.136 50 20 CBGD CN(CC(Cl)Cl)C(=O)CNS(=O)(=O)N(C)C 854481041 SFAFRWBZGIYUBE-UHFFFAOYSA-N 292.188 -0.356 50 20 CBGD O=C(NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1cc[nH]n1 855355799 ASJJWYZLKVYGNW-FTLITQJKSA-N 250.258 -0.404 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)c1cccc(Cl)n1 857326419 WWZQTSTWAYDHOP-UHFFFAOYSA-N 284.703 -0.026 50 20 CBGD COC[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(C)C 858246687 BLAIIWPAASQFOH-IUCAKERBSA-N 286.332 -0.734 50 20 CBGD CCn1cc(C(=O)NNC(=S)NCCSC)nn1 935197291 AGMCBNNWFDERRQ-UHFFFAOYSA-N 288.402 -0.230 50 20 CBGD COCCCCNC(=O)NNC(=O)c1cnn(C)c1 1116084133 PALCIPVQYVTRRN-UHFFFAOYSA-N 269.305 -0.209 50 20 CBGD COC1CCN(C(=O)NNC(=O)c2ncccn2)CC1 1122032795 IRVXIDAOZYYSEH-UHFFFAOYSA-N 279.300 -0.058 50 20 CBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)Cc1ccncc1 1261548426 PJKCYQLLGMJKMH-UWVGGRQHSA-N 276.296 -0.717 50 20 CBGD CCCNC(=S)NNC(=O)C(=O)Nc1ccccn1 1323799370 BUGCFOCCGGVOOP-UHFFFAOYSA-N 281.341 -0.075 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cncnc1C 1324108236 YLEXSKIWJUQTPC-MRVPVSSYSA-N 280.284 -0.112 50 20 CBGD CCOC(=O)N1CCC(C(=O)N2CC[C@H](B(O)O)C2)CC1 1329291279 BYAVHIAXSBAPSQ-NSHDSACASA-N 298.148 -0.070 50 20 CBGD CSCC[C@H](NC(N)=O)C(=O)NNC(=O)C1CC1 1331260653 DIXVKPWTVGJENW-ZETCQYMHSA-N 274.346 -0.666 50 20 CBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNc1ncc(F)cn1 1346709925 IBIKFMQUCIMRQR-PSASIEDQSA-N 280.307 -0.553 50 20 CBGD COCn1ccc(C(=O)NNC(=O)N2CCOCC2)n1 1350611717 CFQDUKKJUJZCCQ-UHFFFAOYSA-N 283.288 -0.826 50 20 CBGD Cc1cccc(NC(=S)NNC(=O)[C@@H](N)CO)c1C 1574165469 KFQZINMLMSNLSB-VIFPVBQESA-N 282.369 -0.059 50 20 CBGD C[C@H](OCc1cnn[nH]1)C(=O)NNc1ncccn1 1575880838 XEPRZQGIUYSMBO-ZETCQYMHSA-N 263.261 -0.357 50 20 CBGD O=C1CC[C@@H]2[C@H]1[C@@H]2C(=O)NNC(=O)[C@@H]1CCCNC1 1580732807 JWXHYDPOLFSSBX-YJFSRANCSA-N 265.313 -0.642 50 20 CBGD C=C(CCC(=O)O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1588630048 BZJQBCQJNPYCDL-DTWKUNHWSA-N 270.285 -0.020 50 20 CBGD CCOCCNC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1604432765 KSFXPUGJBPPWDX-UHFFFAOYSA-N 292.303 -0.076 50 20 CBGD O=C(Cn1ccc(C(=O)O)n1)NNC(=O)C1CCCC1 1608378044 OZJOTQIEPNEAKA-UHFFFAOYSA-N 280.284 -0.081 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cc(C)c(C(=O)O)[nH]1 1610185100 JVEROTRYCKRBGT-UHFFFAOYSA-N 282.256 -0.173 50 20 CBGD O=C(Cn1cc(CO)nn1)NNC(=O)c1cccs1 52222756 YFEKFCPRQWAKJX-UHFFFAOYSA-N 281.297 -0.707 50 20 CBGD CNC(=O)NNC(=O)Cc1csc(N2CCCC2=O)n1 56375280 JAEXYGAAAVSZES-UHFFFAOYSA-N 297.340 -0.227 50 20 CBGD C[C@H](OCC1CC1)C(=O)NNC(=O)c1cnn(C)c1 117681742 QDDGKOVIMTUEID-QMMMGPOBSA-N 266.301 -0.004 50 20 CBGD CN(C)CC(=O)NNC(=O)Cc1ccc(C#N)cc1 172160246 CMNBRMZFKVETOH-UHFFFAOYSA-N 260.297 -0.190 50 20 CBGD CN(NC(=O)Cn1c(=O)cnc2ccccc21)C(N)=O 181090303 QNQFGBLEFSBGFV-UHFFFAOYSA-N 275.268 -0.562 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CCN1C(=O)CCC1=O 263837297 RMDYUEWDZJTALI-UHFFFAOYSA-N 292.295 -0.675 50 20 CBGD COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)CN(C)C 265031371 GFIDDIMAEYGAGT-VIFPVBQESA-N 288.348 -0.534 50 20 CBGD COCC(=O)N(C)CC(=O)NNC(=O)CC(C)(C)C 270526849 SZYQLHSMJWGQDW-UHFFFAOYSA-N 273.333 -0.325 50 20 CBGD C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)C(=O)NC1CC1 282646230 KSWHIRRBNGNOND-OOZYFLPDSA-N 269.301 -0.774 50 20 CBGD COC(=O)N(C)NC(=O)c1c(OC)ncnc1OC 286168093 BOXMHLRLZYIHGD-UHFFFAOYSA-N 270.245 -0.163 50 20 CBGD COC(=O)NNC(=O)CNC(=O)c1ccc(C#N)cc1 495407533 KYZNFRREVZSZKY-UHFFFAOYSA-N 276.252 -0.325 50 20 CBGD C[C@H](CC#N)NC(=O)c1cc(B(O)O)ccc1F 584943404 DGWLRMKRCPFOCV-SSDOTTSWSA-N 250.038 -0.463 50 20 CBGD O=C(N[C@@H]1CCCOCC1)c1cc(B(O)O)ccc1F 584971671 WWYBSMGKODOEIH-SNVBAGLBSA-N 281.092 -0.196 50 20 CBGD C=CCO[C@H](C)CNC(=O)c1ccc(B(O)O)c(F)c1 584987602 WFGLNLOEZSIPPV-SECBINFHSA-N 281.092 -0.174 50 20 CBGD CC[C@H](O)[C@H](CC)NC(=O)c1cc(B(O)O)ccc1F 584996538 KDGNILPTSXOQRA-RYUDHWBXSA-N 283.108 -0.215 50 20 CBGD CC[C@H](O)[C@@H](CC)NC(=O)c1ccc(B(O)O)cc1 584997203 YHGVUNADKKIZMY-NEPJUHHUSA-N 265.118 -0.354 50 20 CBGD CN1CCN(CCCCNCc2ccc(B(O)O)o2)CC1 585017810 LIOFAQSFRFELMU-UHFFFAOYSA-N 295.192 -0.923 50 20 CBGD CS[C@H](CO)[C@@H](C)NCc1ccc(B(O)O)cc1F 585028087 HMANHSAWETWASA-PRHODGIISA-N 287.165 -0.293 50 20 CBGD C[C@@H]1[C@H](CNCc2cccc(B(O)O)c2)N(C)CCN1C 585043686 SOFDAFQZDUEDCO-DOMZBBRYSA-N 291.204 -0.910 50 20 CBGD CN(C)[C@@H]1CC[C@H](NCc2ccc(B(O)O)cc2)C1 585049345 DIWHSJSTUJGLHS-UONOGXRCSA-N 262.162 -0.061 50 20 CBGD O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCB(O)O 585055194 ZYVHUTVLDHMMBB-UHFFFAOYSA-N 294.481 -0.462 50 20 CBGD O=S(=O)(/C=C/c1ccc(F)cc1)NCB(O)O 585055689 HEIWCIISNYPDQM-AATRIKPKSA-N 259.067 -0.272 50 20 CBGD O=S(=O)(c1ccc(F)nc1F)N1CC[C@H](B(O)O)C1 585057146 NLJQVOMXVZZKFT-LURJTMIESA-N 292.072 -0.403 50 20 CBGD C[C@@H]1CCCCN1S(=O)(=O)N1CC[C@@H](B(O)O)C1 585058354 YOUHYLOXYIUSIL-NXEZZACHSA-N 276.167 -0.346 50 20 CBGD O=C(CNC(=O)c1ccc(O)cc1)NNC(=O)C1CC1 727482917 WQHOLYYQOJBKPC-UHFFFAOYSA-N 277.280 -0.321 50 20 CBGD CS(=O)(=O)NCCNC(=O)NNc1ccc(F)cn1 731363053 SQXSGOVOADVTNK-UHFFFAOYSA-N 291.308 -0.604 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](N(C)C)C1 732205638 UVAWHJFWCHNBEH-WDEREUQCSA-N 270.377 -0.042 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1C[C@@H]1C(=O)O 737763081 VITZFPBOIXJDKJ-BQBZGAKWSA-N 259.262 -0.926 50 20 CBGD CCO[C@H]1C[C@H]1C(=O)NNC(=O)C(=O)NC(CC)CC 740851277 XKKLBJRUTUEKFG-ZJUUUORDSA-N 285.344 -0.136 50 20 CBGD CCN1CCO[C@@H](C(=O)NNC(=O)CC(C)C)C1 746111663 BYGZZRSBGFMPSC-SNVBAGLBSA-N 257.334 -0.099 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H](CC(N)=O)C1 746676449 WKITVZSIOGAXPI-SNVBAGLBSA-N 298.387 -0.233 50 20 CBGD Cc1nc(Cl)cc(NNC(=O)CCNC(N)=O)n1 748333224 DABRXVKQSALRIN-UHFFFAOYSA-N 272.696 -0.060 50 20 CBGD COc1ccnc(NNC(=O)N[C@@H]2CCOC2)n1 752703818 KSZSPFYJSRXLGH-SSDOTTSWSA-N 253.262 -0.100 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21 755279806 TTWSCLUGXVHYOA-FBIMIBRVSA-N 264.285 -0.475 50 20 CBGD O=C(CO)NNC(=O)Nc1cnc(C2CC2)nc1 756370817 KIEQXKYSAZJEPW-UHFFFAOYSA-N 251.246 -0.501 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCC2 764294855 GCAGTQZTNUVLTM-UHFFFAOYSA-N 291.307 -0.092 50 20 CBGD C[C@H](O)C[C@H]1COCCN1CC(=O)NNC(=O)C1CC1 767032415 XJOOEXQWUGLZIL-ONGXEEELSA-N 285.344 -0.985 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CN1CCCC1=O 771970063 VKIINSNYHKQKMD-QMMMGPOBSA-N 285.300 -0.902 50 20 CBGD CCNC(=O)CCCC(=O)NNC(=O)N1CCN(C)CC1 773656079 AYTLKIITYPZUJQ-UHFFFAOYSA-N 299.375 -0.719 50 20 CBGD CC(C)C(=O)NNC(=O)NC[C@@H]1CCCCS1(=O)=O 784440721 KGIYKEMYKDUPGJ-VIFPVBQESA-N 291.373 -0.060 50 20 CBGD NC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)C2CC2)C1 786681805 BVBBYGZSBZBGET-IUCAKERBSA-N 253.302 -0.165 50 20 CBGD C=CCNC(=S)NNC(=O)Cn1ccc([N+](=O)[O-])n1 798305265 MHZPBMMGDBCVHH-UHFFFAOYSA-N 284.301 -0.527 50 20 CBGD CNC(=O)[C@H](C)NC(=O)NNC(=O)c1cccc(C#N)c1 814296144 PXQZVUQSDAZYIE-QMMMGPOBSA-N 289.295 -0.363 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ncc(OC)cn1 816006599 GTXKYZXTCIQFIX-UHFFFAOYSA-N 253.262 -0.209 50 20 CBGD C[C@@H](CC(=O)NNC(=O)N1CCOCC1)n1cccn1 819194338 VMUQLDJNLXCGJM-JTQLQIEISA-N 281.316 -0.093 50 20 CBGD COC(=O)[C@H]1C[C@H](NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1 824168049 VOYZHRSBEZSUCT-KYXWUPHJSA-N 299.327 -0.307 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](C(=O)O)[C@@H](C)C1 828570358 AURFSJAZSACQKY-XHNCKOQMSA-N 271.317 -0.415 50 20 CBGD CO[C@H](C)CS(=O)(=O)NNC(=O)[C@@H]1CCCCO1 830037260 PXBOKQXZWQVUBZ-BDAKNGLRSA-N 280.346 -0.459 50 20 CBGD Cc1ncsc1C(=O)NNC(=O)NC1CN(C(=O)O)C1 830835362 ZTLCXMFXUVAQIK-UHFFFAOYSA-N 299.312 -0.242 50 20 CBGD C#CCO[C@@H](C)C(=O)NNC(=O)N=c1cc[nH]cc1 831940410 WJYHHFOVFMDXDL-VIFPVBQESA-N 262.269 -0.306 50 20 CBGD C[C@@H](CC(=O)NNC(=O)N1CCOCC1)n1ccnc1 845335141 ASQRMXFJXZGURG-JTQLQIEISA-N 281.316 -0.093 50 20 CBGD C[C@@H](C(=O)NNC(=S)N[C@H](C)C1CC1)S(C)(=O)=O 855101779 CAKPJFACJGESKX-RQJHMYQMSA-N 293.414 -0.287 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnc2n1CCC2 857105348 JZBYBYMZXRXSSR-UHFFFAOYSA-N 251.290 -0.848 50 20 CBGD Cn1cc([C@@H](O)C(=O)NNc2cc(Cl)nc(N)n2)cn1 857486792 SELKGGQTIXCLGR-MRVPVSSYSA-N 297.706 -0.378 50 20 CBGD COc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862450326 YQFMXQXXOAZBKW-JTQLQIEISA-N 277.280 -0.265 50 20 CBGD COc1cc(C)cnc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862458640 HHNDSPQGASFFPN-QMMMGPOBSA-N 292.295 -0.562 50 20 CBGD CCCCCCOCC(=O)NNC(=O)CS(C)(=O)=O 863461486 KZJXFTSYBMSSEI-UHFFFAOYSA-N 294.373 -0.225 50 20 CBGD O=S(=O)(CCl)NCCCN1CCCS1(=O)=O 867574936 BBWKULKTUUNUJV-UHFFFAOYSA-N 290.794 -0.472 50 20 CBGD CCO[C@H]1C[C@@H]1C(=O)NNC(=O)Cc1cc(C)[nH]n1 869012218 KGBKDBOWEHZATG-UWVGGRQHSA-N 266.301 -0.167 50 20 CBGD C[C@@]1(C(=O)NCC(=O)NCCO)C[C@H]1Br 907009797 QRABPOLDACPMRQ-HZGVNTEJSA-N 279.134 -0.615 50 20 CBGD CN(C)CCNC(=S)NNC(=O)CC(F)(F)F 917596673 WDIBYQAFTXNCCC-UHFFFAOYSA-N 272.296 -0.004 50 20 CBGD O=C(NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccncc1 919147908 QLHHZMDKOXSGRJ-SNVBAGLBSA-N 288.307 -0.147 50 20 CBGD CCNC(=O)CCC(=O)NNC(=S)NC(C)C 1251761913 TYJPTLRWLHGHOX-UHFFFAOYSA-N 260.363 -0.194 50 20 CBGD Cc1ncccc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1318608618 UBFZHAJAVGPGSZ-SECBINFHSA-N 297.336 -0.414 50 20 CBGD CC(C)NC(=S)NNC(=O)C(=O)NCC1CC1 1320662943 SPVFWPSKGVIBJP-UHFFFAOYSA-N 258.347 -0.584 50 20 CBGD C#CCn1ccnc1C=NNC(=O)C(=O)NC1CC1 1323313060 XJSGXNXXGQAMFD-UHFFFAOYSA-N 259.269 -0.755 50 20 CBGD CCOC(=O)C[C@@H]1CCCN1CC(=O)NNC(=O)C1CC1 1324216155 LSRVTCYQXLSESB-NSHDSACASA-N 297.355 -0.039 50 20 CBGD CCNC(=O)N(C)NC(=O)c1n[nH]c2c1CNCC2 1326353766 QFHXOVPSLHHKQK-UHFFFAOYSA-N 266.305 -0.639 50 20 CBGD C[C@H](C(=O)NNc1ncncc1F)n1cncn1 1343996402 BBBOHQPREGOBSW-ZCFIWIBFSA-N 251.225 -0.089 50 20 CBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNc1ccncn1 1348696079 NWPKBDDDIHJRNE-UWVGGRQHSA-N 262.317 -0.692 50 20 CBGD C[C@H]1[C@H](NCc2cccc(B(O)O)c2)C[C@H]2CC[C@H]1N2 1576588157 QWTIQMVENVDFRZ-JUDXGUMMSA-N 274.173 -0.015 50 20 CBGD CC(C)[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)O 1588957932 BLXCGHGYNGAFHO-JTQLQIEISA-N 265.074 -0.795 50 20 CBGD O=C(NNc1ccncn1)c1cc(-c2nn[nH]n2)ccn1 1593167257 FMHAZRZUPBWZNJ-UHFFFAOYSA-N 283.255 -0.191 50 20 CBGD Cc1c(C(=O)NNC(=O)[C@H](C(=O)O)C(C)(C)C)nnn1C 1594256897 XNNLVPOBGUWBEW-SSDOTTSWSA-N 297.315 -0.369 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CCO[C@H](C(=O)O)C1 1596860295 IMMGWHOJYUVIKF-FUOZMLNRSA-N 254.242 -0.258 50 20 CBGD O=C(N[C@@H](CC1CC1)C(=O)O)c1cc(B(O)O)ccc1F 1601407977 XCKKKEROWJSWEK-NSHDSACASA-N 295.075 -0.511 50 20 CBGD O=C(O)Cc1occc1C(=O)NNC(=O)c1ccnnc1 1602155437 SONKPOFSNVOIHZ-UHFFFAOYSA-N 290.235 -0.229 50 20 CBGD CCS(=O)(=O)CC(=O)NNC(=O)NCc1ccco1 49162369 FQMISKNTNDJKEC-UHFFFAOYSA-N 289.313 -0.455 50 20 CBGD COCCC1(C(=O)NNC(=O)c2cnn(C)c2)CC1 133835366 LMIQNNSJHCFEKL-UHFFFAOYSA-N 266.301 -0.002 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)c1ccccn1 270482876 JGFGXZRNFOVLIO-ZETCQYMHSA-N 266.257 -0.413 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCS1(=O)=O)c1ccncc1 274571376 CAGHGBNJOGBMHO-SNVBAGLBSA-N 297.336 -0.190 50 20 CBGD O=C(NNC(=O)C1CC1)c1cnc2[nH]c(=O)[nH]c2c1 289164933 RHLUMWOYKMHISA-UHFFFAOYSA-N 261.241 -0.578 50 20 CBGD C[C@@H]1CC(=O)N[C@H](C(=O)NNC(=O)c2ccc[nH]2)C1 292656234 CSNNXFDXQKQQRP-CBAPKCEASA-N 264.285 -0.310 50 20 CBGD O=C(CC1CC1)NNC(=O)c1cc2n(n1)CCO2 294301187 WXVDYYSXDHRVMP-UHFFFAOYSA-N 250.258 -0.163 50 20 CBGD COC(=O)NNC(=O)CCC(=O)c1cnn(C)c1 492666554 ARJQMFRIQJSKFM-UHFFFAOYSA-N 254.246 -0.230 50 20 CBGD Cn1cc(CCCNC(=O)c2ccc(B(O)O)cc2)cn1 584939156 FTJPHZWNUVPEFH-UHFFFAOYSA-N 287.128 -0.538 50 20 CBGD CCN1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584941266 HWAPAEDFFWTADN-UHFFFAOYSA-N 294.135 -0.327 50 20 CBGD C[C@H](NC(=O)c1cccc(B(O)O)c1)[C@@H](C)n1cncn1 584944532 RGZCELUITZEWPO-VHSXEESVSA-N 288.116 -0.663 50 20 CBGD CCC[C@H](NC(=O)c1ccc(B(O)O)cc1)c1nn[nH]n1 584960149 HXZOHACISDBVRK-JTQLQIEISA-N 289.104 -0.849 50 20 CBGD O=C(NCC1=CCCOC1)c1ccc(B(O)O)c(F)c1 584989231 AVXXJTBJAXVYSA-UHFFFAOYSA-N 279.076 -0.418 50 20 CBGD CCC[C@@]1(CO)CCN(C(=O)c2ccc(B(O)O)cc2)C1 584994106 XLFQHQNCXGJBRU-OAHLLOKOSA-N 291.156 -0.009 50 20 CBGD CCCNC(=O)CCNCc1ccc(B(O)O)cc1F 585018751 RCEJDUFULUZONR-UHFFFAOYSA-N 282.124 -0.489 50 20 CBGD OB(O)c1ccc(CNC[C@@H](O)C(F)(F)F)cc1 585020870 BOOVRDZIBAANFG-SECBINFHSA-N 263.024 -0.621 50 20 CBGD C[C@H](NCc1cccc(B(O)O)c1)c1nncn1C 585022696 WRDDYZHKDDRNEA-VIFPVBQESA-N 260.106 -0.654 50 20 CBGD C[C@@](O)(CNCc1ccc(B(O)O)o1)c1ccccc1 585024156 UTHSSHBKPOLAAK-CQSZACIVSA-N 275.113 -0.043 50 20 CBGD COCCCN(C)CCNCc1cccc(B(O)O)c1 585026168 CNXKNTUOSJJWHO-UHFFFAOYSA-N 280.177 -0.576 50 20 CBGD C[C@H](CCN1CCOCC1)NCc1ccc(B(O)O)o1 585032844 NWONCWDFPYPFBV-LLVKDONJSA-N 282.149 -0.840 50 20 CBGD OB(O)c1ccc(CNCC[C@@]2(O)CCCOC2)c(F)c1 585045450 HYVYIFVYVRTYKU-AWEZNQCLSA-N 297.135 -0.473 50 20 CBGD CCCN1C[C@@H](NCc2ccc(B(O)O)cc2)CC1=O 585048306 NNUUHVZZBQHGCW-ZDUSSCGKSA-N 276.145 -0.533 50 20 CBGD CC[C@H](O)Cc1nc(-c2ccc(B(O)O)cc2)no1 585053360 FCVIXJVSPIMVCN-JTQLQIEISA-N 262.074 -0.270 50 20 CBGD C[C@@H]1Cc2cc(S(=O)(=O)NCB(O)O)ccc2O1 585055771 IXWJBCITBPRYNZ-SSDOTTSWSA-N 271.103 -0.700 50 20 CBGD CCc1nc(S(=O)(=O)NCB(O)O)cn1CC1CC1 585057197 OZRUNDLCRILRKZ-UHFFFAOYSA-N 287.150 -0.854 50 20 CBGD Cc1ccc(N2C[C@H](C(=O)NCB(O)O)CC2=O)cc1F 585061343 WDBINFYXMZMSLI-SECBINFHSA-N 294.091 -0.385 50 20 CBGD O=C(Cc1cnn2ccccc12)N1CC[C@@H](B(O)O)C1 585063696 FRTGZWLJLPVWCN-LLVKDONJSA-N 273.101 -0.048 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccsc1 729276156 XZKBQDVQVLMAED-ZCFIWIBFSA-N 291.354 -0.553 50 20 CBGD CCN1C[C@H](C(=O)NNC(=O)c2c[nH]nc2C)CC1=O 732084473 JRTAMYSOLKXVMV-MRVPVSSYSA-N 279.300 -0.652 50 20 CBGD CN(C)CCCCC(=O)NNC(=O)c1cnn(C)c1 735522603 UXLGETQNFGZBEB-UHFFFAOYSA-N 267.333 -0.087 50 20 CBGD Cc1cc(NNC(=O)CN2CCN(C)CC2)nc(C)n1 736716486 FZXJBZUKSVKDEB-UHFFFAOYSA-N 278.360 -0.216 50 20 CBGD N#CCOc1ccc(CC(=O)NNC(=O)CO)cc1 753442161 AJZCHGNFGYTFQY-UHFFFAOYSA-N 263.253 -0.729 50 20 CBGD Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=O)Cc1cc[nH]n1 755286950 REGLWVSQFPZJRI-UHFFFAOYSA-N 292.255 -0.340 50 20 CBGD COCCO[C@@H](C)C(=O)NN=Cc1cncn1C 755760059 HGJZXYQYKHRJQI-VIFPVBQESA-N 254.290 -0.078 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1cnc(C)nc1 756366743 IQORKTQGTLOIJL-MRVPVSSYSA-N 297.315 -0.011 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1cnn(C(F)F)c1 775707181 FZXQSXBNRLLVEO-UHFFFAOYSA-N 276.247 -0.008 50 20 CBGD CCOCC(=O)NNC(=O)Nc1ccnc(C)n1 776498102 YZQWMILBPCDBLR-UHFFFAOYSA-N 253.262 -0.026 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)NOC1CCCCC1 779687286 HKKWRGTYLUFRRN-UHFFFAOYSA-N 284.316 -0.140 50 20 CBGD CCNC(=O)CC(=O)O[C@@H](C)C(=O)NNC(=O)CC 782346703 XFTFTAHENIHIOM-ZETCQYMHSA-N 273.289 -0.998 50 20 CBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@H](C)O)c1 786688159 IXAZRLCSYQDUEK-ZETCQYMHSA-N 268.269 -0.154 50 20 CBGD O=C(NCC1CC1)NNC(=O)C(=O)NCC1CC1 788502646 UKJMPVYUNVBDRT-UHFFFAOYSA-N 254.290 -0.747 50 20 CBGD CNC(=O)C(=O)NNC(=O)CSc1ccccc1O 789706102 NAOCITCDPBPNMI-UHFFFAOYSA-N 283.309 -0.622 50 20 CBGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(N)=O 792527810 TTWQKXTWXVOMSR-LURJTMIESA-N 285.687 -0.260 50 20 CBGD CN(C)N(C(=O)[C@@H](O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 792849722 LEQUMZVVSGVCRW-VHSXEESVSA-N 292.401 -0.114 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cnc(N(C)C)n1C 811647452 NHMXVCLQNIWKOM-UHFFFAOYSA-N 282.304 -0.708 50 20 CBGD CC(C)OC1CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)C1 814835075 GFAQFXQHBVKYEG-HNHGDDPOSA-N 291.373 -0.016 50 20 CBGD CCc1nc(C)c(C(=O)NNC(=O)C(=O)N2CCCC2)o1 815164491 XJSPSXSSYDUUPT-UHFFFAOYSA-N 294.311 -0.071 50 20 CBGD CC(=O)N[C@H](C(=O)NN(C)[C@@H](C)CO)C(C)(C)C 823917700 MOYSQHYVQRMKNF-WCBMZHEXSA-N 259.350 -0.119 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(=O)NC1CC1 825610756 KKWMDEKTEOJUOW-APPZFPTMSA-N 284.316 -0.980 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCC(C)(C)O 826537044 GZVJFUXHTYMVQI-DTWKUNHWSA-N 273.333 -0.097 50 20 CBGD C[C@H](CC(=O)O)C(=O)NNC(=O)c1ccncc1 827304513 WOGMRIMAAHLUGT-SSDOTTSWSA-N 251.242 -0.047 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(/C=C\C(=O)O)cc1 831001086 UXJDNMJXRNJVIT-DAXSKMNVSA-N 299.308 -0.093 50 20 CBGD C[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)[C@@H]1CN 843351462 WALNQNOWLZAWOH-MWLCHTKSSA-N 268.361 -0.397 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1C 843655332 IVGNVFAGCVIHNH-YIZRAAEISA-N 269.301 -0.820 50 20 CBGD Cc1nc(SCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)n[nH]1 843977068 FLDUNNWIKZKBJC-XPUUQOCRSA-N 299.356 -0.222 50 20 CBGD COCCN(C)NC(=O)CCN1C(=O)CCNC1=S 848057547 XBMXUOAMSVQERV-UHFFFAOYSA-N 288.373 -0.907 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1cncc(O)c1 848386240 KWMHQXYCFFJVPA-KCJUWKMLSA-N 279.296 -0.098 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)C1(n2cnnn2)CC1 857113702 AJGCALJDOCYWJR-UHFFFAOYSA-N 266.305 -0.254 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1CCc2nncn2C1 857539809 GHTBBSHSUMHLRJ-MRVPVSSYSA-N 289.299 -0.218 50 20 CBGD CC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 862451652 OZTIIHKZHNSACW-NSHDSACASA-N 289.291 -0.071 50 20 CBGD CC(C)(C)C(=O)NCCC(=O)NNC(=O)c1cn[nH]c1 862473205 IXBNQQIVNWQZJB-UHFFFAOYSA-N 281.316 -0.277 50 20 CBGD C[C@H](NNC(=O)c1ccc(B(O)O)cc1)C(F)(F)F 863887074 CQWVPFIEVLXCKF-LURJTMIESA-N 276.023 -0.448 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@H](C)n1ccnc1 869903262 OWZBWBPYHQUAQS-JTQLQIEISA-N 284.316 -0.355 50 20 CBGD CN1C(=O)CS/C1=C\C(=O)NNC(=O)C1CC1 873750899 LRTNWSBVPIZHMU-WTKPLQERSA-N 255.299 -0.410 50 20 CBGD OB(O)c1cccc(CNCCO[C@@H]2CCOC2)c1 897200335 UCVFNRDIJWCABZ-CYBMUJFWSA-N 265.118 -0.739 50 20 CBGD Cc1csc(C(=O)NNC(=O)NCC#CCO)c1 923763845 CPZIVYIXYNLSBU-UHFFFAOYSA-N 267.310 -0.004 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)NC[C@@H]1COCO1 923856792 PFSWEPRLIFBPLE-RXMQYKEDSA-N 271.195 -0.358 50 20 CBGD CNC(=O)NNC(=O)c1cn(CC(=O)C(C)(C)C)nn1 1116174865 SDOMTUKDDDXHCF-UHFFFAOYSA-N 282.304 -0.533 50 20 CBGD CN(NC(=O)c1ccc(-n2ccnc2)nc1)C(N)=O 1116451057 MDOZMRJSGKSAPF-UHFFFAOYSA-N 260.257 -0.077 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@@H]2C[C@@]23CCOC3)nn1 1116600863 ROMWNZBSVZJQSC-JVXZTZIISA-N 277.284 -0.555 50 20 CBGD COC(=O)C1(C(=O)NNC(=O)C2CCOCC2)CC1 1119507967 SYTKYUPIBOMGAO-UHFFFAOYSA-N 270.285 -0.486 50 20 CBGD COC(=O)c1cnc(C(=O)NN=c2cc[nH]cc2)cn1 1254753554 HXFFSOWQQKZXII-UHFFFAOYSA-N 273.252 -0.163 50 20 CBGD CC(=O)N[C@@H](CC(=O)NNc1cccc(C#N)c1)C(N)=O 1261747620 TXRNYEUJAJKQTH-NSHDSACASA-N 289.295 -0.619 50 20 CBGD CC#CCCCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1320298114 SHCPVMLDOWLUCI-JTQLQIEISA-N 286.353 -0.238 50 20 CBGD CCc1ncsc1NC(=O)C(=O)NNC(C)=O 1321141130 WOUSXZCRHGQHIP-UHFFFAOYSA-N 256.287 -0.189 50 20 CBGD CNc1ccc(C(=O)NNc2ccc(C(N)=O)nn2)cn1 1323261893 XJSFJFRBXQRWHM-UHFFFAOYSA-N 287.283 -0.231 50 20 CBGD CCOC1CC(CC(=O)NNC(=O)C(=O)N2CCCC2)C1 1324477123 BJZQCEMTTSUVOM-UHFFFAOYSA-N 297.355 -0.039 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCCN2CCCC[C@H]12 1326745391 XKGRAKRCLGZZKQ-VHSXEESVSA-N 298.343 -0.493 50 20 CBGD CC[C@@H]1C[C@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 1329079229 VYEHGFAMKZQKJO-BBBLOLIVSA-N 283.328 -0.382 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1cncnc1 1332468663 IOZLPLVWCIFUFK-KOLCDFICSA-N 278.312 -0.018 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cn(Cc2ccccn2)nn1 1334203071 POGNAWBINOGROU-JTQLQIEISA-N 290.327 -0.321 50 20 CBGD CN1CCCC[C@H](C(=O)NNC(=O)[C@@H]2CCCNC2)C1=O 1578528039 BMTTZEOHUNJHBR-GHMZBOCLSA-N 296.371 -0.608 50 20 CBGD CNNC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl 1578741167 HDPVVAYQHCUHKF-VIFPVBQESA-N 298.730 -0.436 50 20 CBGD CSCC[C@@H](N)C(=O)NNC(=O)C1CCOCC1 1579377497 HZUPXLIYPYBOHE-SECBINFHSA-N 275.374 -0.359 50 20 CBGD O=C(Cc1cnccc1Cl)NNC(=O)[C@H]1CCN1 1580576477 MZNUENIETZEEMW-SECBINFHSA-N 268.704 -0.213 50 20 CBGD CC(=O)NNC(=O)c1cc(O)cc(-c2nn[nH]n2)c1 1588870111 ZXBRSSPRAQUKTI-UHFFFAOYSA-N 262.229 -0.647 50 20 CBGD CCNC(=O)NNC(=O)C1(CC(=O)O)CCOCC1 1589909654 VYQDDRMHICUIKD-UHFFFAOYSA-N 273.289 -0.392 50 20 CBGD COC(=O)N(C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1591272444 HHJKEDQWAASCLZ-UHFFFAOYSA-N 265.233 -0.462 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@@H](Cn1cncn1)C(=O)O 1596860514 AFKVOIDWYCRXIF-QRJSTWQJSA-N 279.256 -0.709 50 20 CBGD CC(C)[C@H](C(=O)O)C(=O)NNC(=O)N1CCN(C)CC1 1602970081 KRWVAAPMCNQUOS-VIFPVBQESA-N 286.332 -0.669 50 20 CBGD CCOCC(=O)NNC(=O)Nc1ccn(CC(=O)O)n1 1603834234 GHBOZPDDDRZQNE-UHFFFAOYSA-N 285.260 -0.843 50 20 CBGD N#C/C=C\Cn1c(=O)c(C#N)cn(CC(=O)O)c1=O 1605581854 NORHQVPJLXLJQN-UPHRSURJSA-N 260.209 -0.954 50 20 CBGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)C2CCC2)c1C 270999900 LLBYBYKGHYLTDL-UHFFFAOYSA-N 278.312 -0.042 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc2c(c1)NC(=O)CO2 276330635 YDWXROLWUZHHJE-UHFFFAOYSA-N 293.279 -0.451 50 20 CBGD O=C1CCCC[C@H](C(=O)NNC(=O)C2CCC2)N1 279128312 WSJYZTHSIAALMY-SECBINFHSA-N 253.302 -0.007 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 299384449 PFIMZGMIQNPYKD-ZCFIWIBFSA-N 296.249 -0.300 50 20 CBGD COC(=O)N(C)NC(=O)Cc1c(C)[nH]c2ccnn2c1=O 496282639 JKHOMAFZVCSJPF-UHFFFAOYSA-N 293.283 -0.397 50 20 CBGD C[C@H](CNC(=O)c1cccc(B(O)O)c1)Cn1ccnc1 584951120 UZEBWQJOGUIMCO-LLVKDONJSA-N 287.128 -0.371 50 20 CBGD C[C@@]1(O)CCCN(C(=O)c2cccc(B(O)O)c2)C1 584970148 VBTXFFTUNJPCEX-CYBMUJFWSA-N 263.102 -0.647 50 20 CBGD CO[C@H](C)CN(C)C(=O)c1ccc(B(O)O)cc1 584989678 SOCLDNRAWVUGRF-SECBINFHSA-N 251.091 -0.527 50 20 CBGD C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc(B(O)O)c1 584998539 RFOZRANYRJMGMQ-NEPJUHHUSA-N 261.086 -0.560 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@H]2C[C@H](CO)[C@H]2C1 585010225 LMZLTJZRZMKIJO-MXWKQRLJSA-N 293.103 -0.794 50 20 CBGD CCS(=O)(=O)CCCNCc1ccccc1B(O)O 585046129 NSLGCLVKGUOIMZ-UHFFFAOYSA-N 285.174 -0.719 50 20 CBGD OC[C@H](CNCc1ccccc1B(O)O)CC1CC1 585047228 LFHUJMBMZAYIPE-LBPRGKRZSA-N 263.146 -0.135 50 20 CBGD O=S(=O)(c1ccc2c(c1)CCO2)N1CC[C@H](B(O)O)C1 585061182 RLYNEFBOAQNUGT-JTQLQIEISA-N 297.141 -0.141 50 20 CBGD CN(CC(=O)NNC(=O)c1ccccn1)C(=O)C1CC1 733123361 IPHLDAXUMKSIFZ-UHFFFAOYSA-N 276.296 -0.289 50 20 CBGD CCN1CCC[C@H]1CN1C[C@H](C(=O)NNC(C)=O)CC1=O 733356981 YODABPDAUDLLAY-NEPJUHHUSA-N 296.371 -0.514 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cccc(C(=O)O)c1C 737543842 TXAIXAWCSWSWTC-UHFFFAOYSA-N 287.297 -0.184 50 20 CBGD Cc1ccc(F)c2c1NC(=O)C2=NNC(=O)C(N)=O 750916578 OKHGEOFEJIKDQD-UHFFFAOYSA-N 264.216 -0.608 50 20 CBGD COc1ccnc(NNC(=O)CCN2CCOCC2)n1 751321683 NUTOPKGXWRJJCZ-UHFFFAOYSA-N 281.316 -0.349 50 20 CBGD Cn1cc(C=NNC(=O)CNC(=O)c2cccs2)nn1 755678626 KHEQVUMBWZDABX-UHFFFAOYSA-N 292.324 -0.243 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccccc1C#N 755699995 UTUAGDVXEJJTRB-SECBINFHSA-N 294.336 -0.054 50 20 CBGD C=CCCOCC(=O)NNc1ccc(C(N)=O)nn1 757392094 KGNHDADUQSKDMX-UHFFFAOYSA-N 265.273 -0.389 50 20 CBGD CCCOc1cccnc1C(=O)NNC(=O)CO 760872052 AWVLYTCESWJSDU-UHFFFAOYSA-N 253.258 -0.376 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1CCS(=O)(=O)C1 764471481 VVEKVLDMXPWXIP-SSDOTTSWSA-N 286.313 -0.637 50 20 CBGD O=C(NN=C1CCN2CCC[C@@H]12)[C@H]1CCS(=O)(=O)C1 765565219 RNNREGVCZJTPNK-ONGXEEELSA-N 285.369 -0.239 50 20 CBGD CNC(=O)NNC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O 772687345 WAGSZWALYQLTON-MRVPVSSYSA-N 292.361 -0.993 50 20 CBGD CN(CCO)c1ccc(C=NNC(=O)CO)cc1 776782550 CZKMSAOZJHBKLJ-UHFFFAOYSA-N 251.286 -0.443 50 20 CBGD O=C(CO)NNC(=O)c1ccc(OC[C@H]2CCCO2)cc1 777781278 LVGYLWJYXIMOPY-GFCCVEGCSA-N 294.307 -0.002 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc2nn[nH]c2cc1F 781920701 KTBZFUSRHPDBDJ-UHFFFAOYSA-N 280.263 -0.580 50 20 CBGD CCNC(=O)N(C)NC(=O)N1CCS(=O)(=O)CC1 788665999 KNNZTPMDAZCZOD-UHFFFAOYSA-N 278.334 -0.997 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)CN1CCCC1 820216080 KOVBKHMGWQPOJX-UHFFFAOYSA-N 284.360 -0.466 50 20 CBGD CSCCNC(=S)NNC(=O)CN1CCCC1 821492015 KAIUYCRTEQOHIE-UHFFFAOYSA-N 276.431 -0.060 50 20 CBGD O=C1C[C@@H](C(=O)NNC(=O)NCCc2cccs2)N1 823810960 YCVWNTVZQVTPSC-QMMMGPOBSA-N 282.325 -0.491 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCN(C)C(=O)C1(C)C 828037286 YOAOVSCCABCEHO-UHFFFAOYSA-N 284.360 -0.658 50 20 CBGD CNC(=O)NNC(=O)c1c(C)[nH]c(C(=O)O)c1C 831001128 WPXMLDFVWUOWKY-UHFFFAOYSA-N 254.246 -0.096 50 20 CBGD CCN[C@H](C)CNC(=O)NNC(=O)[C@@H]1CCCCO1 841984945 JLMCHPOZZAWHSB-ZJUUUORDSA-N 272.349 -0.116 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)C[C@@H]1CCCO1 842591992 HVIYAZWWEMKNCU-GUBZILKMSA-N 292.357 -0.459 50 20 CBGD C=C[C@H](C)ONC(=O)NN[C@]1(C)CCS(=O)(=O)C1 845637643 CZBIJAWSSQUHKG-WCBMZHEXSA-N 277.346 -0.127 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCCn2ccnc21 848405172 BRFRGHIMAWVMKB-MRVPVSSYSA-N 299.356 -0.565 50 20 CBGD C[C@H](NC(=S)NNC(=O)C(C)(C)C(N)=O)C1CC1 855100252 XXYXEWSGAUAXOA-LURJTMIESA-N 272.374 -0.208 50 20 CBGD C[C@@H](NC(=S)NNC(=O)CCn1cncn1)C1CC1 855102737 MWRDSMVIJQMTQQ-MRVPVSSYSA-N 282.373 -0.038 50 20 CBGD O=C(Cn1nnc2c1CCCC2)NNC(=O)c1cc[nH]n1 855355587 ARYGTLAMMSNKLA-UHFFFAOYSA-N 289.299 -0.659 50 20 CBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)OCC(F)(F)F 856022552 GOOURLCEZQTXSN-DMTCNVIQSA-N 285.178 -0.197 50 20 CBGD CC(=O)N[C@@H](CC(=O)NNc1ccc(C)c(F)c1)C(N)=O 856229325 GQPQHPHERFVHTD-NSHDSACASA-N 296.302 -0.043 50 20 CBGD CNC(=O)NCC(=O)NNc1ncc(Cl)cn1 857729066 IWQOIPVIKVRVSL-UHFFFAOYSA-N 258.669 -0.498 50 20 CBGD CCC[C@H](OCC)C(=O)NNC(=O)C(=O)NC1CC1 858168546 WJFMPUWRZNCQDW-VIFPVBQESA-N 271.317 -0.382 50 20 CBGD C[C@@H](C(=O)NNC(=O)NCC(F)(F)F)[C@@H]1CCC(=O)N1 861514561 GANUWZMURMKEJT-RITPCOANSA-N 296.249 -0.206 50 20 CBGD O=C(NNC(=O)C1CC1)c1ccc(-n2cncn2)nc1 861775239 VTGAZEUKNIGIQJ-UHFFFAOYSA-N 272.268 -0.167 50 20 CBGD COCCC1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCC1 862457388 IFFWQDBZOMNUNT-SECBINFHSA-N 283.328 -0.381 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C=C1CCCC1 863460177 NYHLPNFLDVNJRD-UHFFFAOYSA-N 260.315 -0.321 50 20 CBGD O=C(NC[C@H]1CCC=CO1)c1cc(B(O)O)ccc1F 863879908 HCOMZRKSZSJWAR-SNVBAGLBSA-N 279.076 -0.072 50 20 CBGD Cn1cncc1CNC(=O)NNC(=O)[C@H]1CCCCO1 869223711 SINPMXQMCWCVOC-SNVBAGLBSA-N 281.316 -0.180 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@@H](O)C1)[C@@H]1COc2ccccc2O1 873751813 XIVSQAXLODBKAR-SBMIAAHKSA-N 292.291 -0.255 50 20 CBGD Cn1cnc(C(=O)NNC(=O)C2CCCC2)cc1=O 873992198 ZJKBOLZMIDZMKP-UHFFFAOYSA-N 264.285 -0.269 50 20 CBGD CN([C@H]1CCNC1=O)S(=O)(=O)CCCCl 882022145 AYZMGEXOUAAEEO-ZETCQYMHSA-N 254.739 -0.235 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)CCn1cncn1 899992591 GKIITIAAEGPNEY-UHFFFAOYSA-N 270.362 -0.038 50 20 CBGD CN1C(=O)CCC[C@@H]1C(=O)NNC(=O)c1cccc(F)n1 912733726 XSGILNUWLXORNE-SECBINFHSA-N 294.286 -0.007 50 20 CBGD CC(=O)NCC(=O)NNC(=O)COc1ccc(C)c(C)c1 913450237 HQJGJSDITHNBLN-UHFFFAOYSA-N 293.323 -0.034 50 20 CBGD CCNC(=O)NNC(=O)CN1C(=O)COc2ccccc21 916526396 IOAJQZOVTYNUTM-UHFFFAOYSA-N 292.295 -0.238 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCC1(N(C)C)CC1 922986703 JQOWQMOWQRKFMC-ZJUUUORDSA-N 284.360 -0.164 50 20 CBGD CCN1CCC[C@H](NC(=O)c2ccc(B(O)O)cc2)C1=O 928863283 GEMFXYKJVNOYGE-LBPRGKRZSA-N 290.128 -0.893 50 20 CBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)NCC2CC2)nn1 1116284865 CXSXAQOQDWJELG-SSDOTTSWSA-N 282.304 -0.928 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)NOC[C@@H]1CCOC1 1116749133 AQSXXDHFGNOKGY-LLVKDONJSA-N 294.311 -0.077 50 20 CBGD CNC(=O)NNC(=O)Cc1ccc([S@](C)=O)cc1 1116903172 FNJRJPWICYDJRQ-SFHVURJKSA-N 269.326 -0.073 50 20 CBGD CN(C)C1(C(=O)NNC(=O)C2CCOCC2)CC1 1262030918 ANINHGQBFXGKPO-UHFFFAOYSA-N 255.318 -0.345 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCC(=O)NC1 1321705802 DJINEMKNBNAWBT-SSDOTTSWSA-N 265.273 -0.995 50 20 CBGD CONC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1322478273 AGIUSOMKQLBDKZ-UHFFFAOYSA-N 294.315 -0.415 50 20 CBGD COc1cnc(NC(=O)NNC(=O)CCO)s1 1324695183 XVIYWRANWUXPRN-UHFFFAOYSA-N 260.275 -0.313 50 20 CBGD C[C@H](NNC(=O)Cn1cnc(N)n1)C(F)(F)F 1329536286 UCJQZYDOLHJGHT-BYPYZUCNSA-N 252.200 -0.568 50 20 CBGD Cn1c(S)nnc1CCNC(=O)NNC(=O)C1CCC1 1330715085 KJWKCNQBCMGQBU-UHFFFAOYSA-N 298.372 -0.223 50 20 CBGD Cc1cc(C)nc(NNC(=O)CN2C(=O)CNC2=O)n1 1337740823 VAVRMECXXAPZHV-UHFFFAOYSA-N 278.272 -0.912 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CCC(F)(F)C1 1339732068 AZEJIYPCUWZSCY-LURJTMIESA-N 279.243 -0.075 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cccc(C(C)=O)c1 1342589121 BOSJGILHTXIVNB-UHFFFAOYSA-N 263.253 -0.005 50 20 CBGD COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCl 1348502974 OHZITSFWYFMJKW-WDSKDSINSA-N 250.682 -0.592 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@@H]2CN3CCN2C[C@@H]3C)n1 1350849943 DUBJPGQLUUOISR-RYUDHWBXSA-N 290.371 -0.075 50 20 CBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NN[C@H](C)C(F)(F)F 1521747504 LLSKOVPCYBUWJZ-IWSPIJDZSA-N 280.294 -0.054 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2CO[C@@H](CCC(=O)O)C2)n1C 1574436178 HHEFUWJTAXISRU-BDAKNGLRSA-N 297.315 -0.163 50 20 CBGD C#CCCCC(=O)NNC(=O)Nc1ccnn1C1CNC1 1574545042 MBPZNNDTXPVMJM-UHFFFAOYSA-N 290.327 -0.016 50 20 CBGD COCC[C@@H](N)C(=O)NNC(=O)c1cccc(N(C)C)c1 1578997341 DNGWTWHPLPUTMN-GFCCVEGCSA-N 294.355 -0.123 50 20 CBGD O=C(NNC(=O)[C@@H]1CCN1)c1nncc2ccccc12 1580735921 HUPKRJZQLOHCHR-JTQLQIEISA-N 271.280 -0.247 50 20 CBGD CC(C)N1CCC[C@H](CNC(=O)NNC(=O)C(=O)O)C1 1591623861 FOPPILARTLNBRE-SECBINFHSA-N 286.332 -0.478 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@@]1(C(=O)O)CCCO1 1594675977 QTBHYCPQPRROTF-MRVPVSSYSA-N 284.190 -0.280 50 20 CBGD CO[C@](C)(C1CC1)[C@@H](C)NC(=O)NNC(=O)C(=O)O 1599036395 WCIUZNYOTIQFMF-KBUNVGBDSA-N 273.289 -0.395 50 20 CBGD COCC(=O)NNC(=O)Nc1ccc(C(=O)O)nc1 1599143182 OKIFJPYDNQUBGZ-UHFFFAOYSA-N 268.229 -0.421 50 20 CBGD Cc1nnc(NNC(=O)CSCC(=O)O)n1C 1605444680 PHAJABWEKQHSOM-UHFFFAOYSA-N 259.291 -0.616 50 20 CBGD O=C(O)CCNC(=O)NNC(=O)N=c1cc[nH]cc1 1606195505 UIRSJLJZOGKWAL-UHFFFAOYSA-N 267.245 -0.686 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C12CC(C(=O)O)(C1)C2 1607939502 QAUMNKBKHDYQPG-UHFFFAOYSA-N 278.268 -0.266 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccc(OCC(=O)O)cc1 1609553242 RPQHIZHLDLOCKB-UHFFFAOYSA-N 279.252 -0.525 50 20 CBGD CNC(=O)NNC(=O)CCCN1C(=O)NC(C)(C)C1=O 48949607 ZWBPXDFRSYRRTJ-UHFFFAOYSA-N 285.304 -0.943 50 20 CBGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNC(=O)NC1CC1 49458269 GBDIKVYHUFTTLF-UHFFFAOYSA-N 282.260 -0.407 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)c2ccccc2)CC1 68369081 MBPMVWFZGNRHHB-UHFFFAOYSA-N 261.281 -0.026 50 20 CBGD CN(C)CCN1C[C@@H](C(=O)NNC(=O)C(C)(C)C)CC1=O 81257670 VVVQSAPVBLZGFC-JTQLQIEISA-N 298.387 -0.410 50 20 CBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CC2)cc1 105009260 VSAHBMWIGZVCJY-UHFFFAOYSA-N 297.336 -0.234 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CC(=O)NC1CC1 111194925 APVTYTWHSQCKAW-MRVPVSSYSA-N 270.333 -0.857 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CN2CC[C@H](O)C2)cc1 114470704 MGMYUVUUUBPRJT-LBPRGKRZSA-N 277.324 -0.177 50 20 CBGD O=C(CNS(=O)(=O)CBr)NC1CC1 127019978 IVDOLHIFEKWZTM-UHFFFAOYSA-N 271.136 -0.463 50 20 CBGD O=C(NCCn1cc([N+](=O)[O-])cn1)NNc1ncccn1 161434757 AAJUSHCTHPKKMY-UHFFFAOYSA-N 292.259 -0.092 50 20 CBGD CC[C@H](C(=O)NNC(=O)N1CCOCC1)N(C)C 178669384 FEBQEYXHUOQTHH-SECBINFHSA-N 258.322 -0.600 50 20 CBGD Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)CO)cn2)n1 180953803 KXQWXXZHBIKXQF-UHFFFAOYSA-N 289.295 -0.363 50 20 CBGD COc1cc(F)cc(NNC(=O)Cn2ncn(C)c2=O)c1 182615345 MZQOMFWVHNPNPF-UHFFFAOYSA-N 295.274 -0.127 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@H](C)S(C)(=O)=O)n1 279852811 UDPOZRVFNQPQIT-QMMMGPOBSA-N 285.325 -0.416 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CC[C@@H]1C(=O)OC 285709800 DTPXBSPLFXQGJW-SFYZADRCSA-N 257.290 -0.122 50 20 CBGD COc1nccnc1NNC(=O)C[C@H]1CCCC(=O)N1 290574174 UAFYFKSIKAUTLU-MRVPVSSYSA-N 279.300 -0.013 50 20 CBGD O=C(CN1CCCCC1=O)Nc1cccc(B(O)O)c1 584911795 YXLJKEBKXFWOPE-UHFFFAOYSA-N 276.101 -0.683 50 20 CBGD CC(C)(C)[C@@H](NC(N)=O)C(=O)Nc1cccc(B(O)O)c1 584912492 GHDHHJLOVJQKQA-JTQLQIEISA-N 293.132 -0.612 50 20 CBGD O=C(N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO)c1cccc(B(O)O)c1 584962606 IQXHOBGNNVKPAE-TXFQPVFDSA-N 289.140 -0.497 50 20 CBGD CN(C(=O)c1cc(B(O)O)ccc1F)[C@@H]1CCC[C@H]1O 584988884 UNJCASOTQBDBES-VXGBXAGGSA-N 281.092 -0.509 50 20 CBGD C[C@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@H]1CO 585010981 VRFZBLAQUWZYOE-ONGXEEELSA-N 295.119 -0.404 50 20 CBGD CCCN1CC[C@H](NCc2ccc(B(O)O)cc2)C1 585050100 QSQOVASCIKHHPH-AWEZNQCLSA-N 262.162 -0.060 50 20 CBGD O=C(NCB(O)O)c1ccc(Br)cn1 585061704 YLILETFHSKPBLR-UHFFFAOYSA-N 258.868 -0.414 50 20 CBGD CCNC(=O)NNC(=O)c1n[nH]c(C)c1[N+](=O)[O-] 729342861 CFFOMOCGUKGTQU-UHFFFAOYSA-N 256.222 -0.410 50 20 CBGD Cn1cccc1C(=O)NNC(=O)C1(C(N)=O)CC1 731598095 NHRDVENKOOPQFM-UHFFFAOYSA-N 250.258 -0.948 50 20 CBGD CCS(=O)(=O)CC(C)=NNC(=O)c1cnn(C)c1 735412047 IRHZZWSMCOKJPP-UHFFFAOYSA-N 272.330 -0.040 50 20 CBGD O=C(CNC(=O)C1CC1)NNc1ncnc2[nH]cnc12 740746683 DPURIMZJNHDANX-UHFFFAOYSA-N 275.272 -0.678 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)[C@H]1COCCO1 744450791 BWJVXRAJSOWSAH-RXMQYKEDSA-N 271.195 -0.706 50 20 CBGD CN(C)C(=O)NNC(=O)CNC(=O)NCc1ccco1 746014657 JGXMJSUMPIYXMO-UHFFFAOYSA-N 283.288 -0.619 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)Cc2ccncc2)C1 747428148 GWXGORXICYMLEW-LLVKDONJSA-N 262.313 -0.277 50 20 CBGD O=C(CC1CCCC1)NNC(=O)c1n[nH]c(O)n1 749940885 VYESFZHDRSZNLB-UHFFFAOYSA-N 253.262 -0.148 50 20 CBGD Cc1nnc2n1C[C@H](C(=O)NNC(=O)c1ccc[nH]1)CC2 750722169 GTYJWDFYPPXOSC-SECBINFHSA-N 288.311 -0.062 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H]1CCOC1 752707134 VJZJJSFDFPEFJD-DTWKUNHWSA-N 275.305 -0.843 50 20 CBGD COCC(=O)NNC(=O)Nc1c(OC)ncnc1N(C)C 757708148 CXMYKZNOIJYZAG-UHFFFAOYSA-N 298.303 -0.650 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H](C)C1CC1 758043650 JBHKXFVJLPPYJM-SFYZADRCSA-N 291.373 -0.492 50 20 CBGD COCC(=O)N(C)CC(=O)NNC(=O)C1CCCC1 758393424 KBQHSPVRBJVFJI-UHFFFAOYSA-N 271.317 -0.571 50 20 CBGD COCCC1(C(=O)NNC(=O)C(=O)N2CCCC2)CCC1 760469309 CSVSRIXLZLPUPM-UHFFFAOYSA-N 297.355 -0.037 50 20 CBGD Cc1ccc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)cn1 764911969 OXELVGNXYWLSAY-SECBINFHSA-N 284.341 -0.222 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccncc1F 769621899 AWAIOBAOKQYDNM-UHFFFAOYSA-N 271.248 -0.355 50 20 CBGD COC1CCC(C(=O)NNC(=O)CN(C)C)CC1 781921968 YWWVAUIURGSEAA-UHFFFAOYSA-N 257.334 -0.099 50 20 CBGD COC(=O)c1cc(S(=O)(=O)NNC(C)=O)cnc1C 793349562 RBTKBZPKQFUANU-UHFFFAOYSA-N 287.297 -0.494 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(C#N)c(F)c1 793379483 CPHMUZVSMKGXBM-UHFFFAOYSA-N 272.261 -0.180 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1cccc(F)n1 804766696 NDPOFOQGHWWAAJ-UHFFFAOYSA-N 262.266 -0.787 50 20 CBGD O=CN1CCC[C@H]1C(=O)NNC(=O)NC1CCCC1 824342475 IQSXCYDUYDVZQH-JTQLQIEISA-N 268.317 -0.120 50 20 CBGD CN1CCCC[C@H]1C(=O)NNC(=O)c1cn[nH]c1 824862955 KRUIPVHRPZCWQS-VIFPVBQESA-N 251.290 -0.345 50 20 CBGD O=C(O)c1cc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)c[nH]1 833297818 JPUCARONFDEWPK-QMMMGPOBSA-N 299.308 -0.402 50 20 CBGD O=C(CCc1ccccc1)NNC(=O)[C@@]1(O)CCOC1 840304161 JMSWIBHCTTYNLK-CQSZACIVSA-N 278.308 -0.082 50 20 CBGD CN(C)N(C(=O)C1=COCCO1)[C@@H]1CCS(=O)(=O)C1 844340785 DMTNRRCQGIVCNI-SECBINFHSA-N 290.341 -0.633 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@H]1CCCS1(=O)=O 847391452 ZOWDPIXZYDQQED-MRVPVSSYSA-N 275.330 -0.696 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NOCc2ccccc2)N1 858107721 WCHWJXOBBOEOOW-SNVBAGLBSA-N 292.295 -0.273 50 20 CBGD CCC[C@@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)OC 858500882 UDSNCDNECXQICS-IUCAKERBSA-N 286.332 -0.590 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2cncc(F)c2)N1 861055605 MTTWCSNHUDSUAS-QMMMGPOBSA-N 281.247 -0.348 50 20 CBGD C[C@@H](C(=O)NNC(=O)NCC(F)(F)F)[C@H]1CCC(=O)N1 861514560 GANUWZMURMKEJT-PHDIDXHHSA-N 296.249 -0.206 50 20 CBGD COCCC(C)(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862461073 LMHNRKBOVCUBRM-QMMMGPOBSA-N 271.317 -0.525 50 20 CBGD Cc1cccc(NNC(=O)Cn2nc(C)n(C)c2=O)n1 862517552 CGAZJQUXVPURLV-UHFFFAOYSA-N 276.300 -0.263 50 20 CBGD O=C1CC[C@H](C(=O)NN=C2CCN3CCC[C@@H]23)N1 863148018 QXPXWSVKGZEQDX-ZJUUUORDSA-N 250.302 -0.395 50 20 CBGD CS(=O)(=O)CC(=O)NN=C1COc2ccccc21 863186417 XBPVDQUXYUVSET-UHFFFAOYSA-N 268.294 -0.056 50 20 CBGD O=C(NCCOC1CCC1)c1cc(B(O)O)ccc1F 863874160 QJYAIJMVEHKHFZ-UHFFFAOYSA-N 281.092 -0.196 50 20 CBGD C[C@H](NC(=O)c1ccc(B(O)O)cc1)C(C)(C)O 863875426 WCDUZNSVGNTIML-QMMMGPOBSA-N 251.091 -0.744 50 20 CBGD Cc1cccc(NNC(=O)NCCN2CCNC(=O)C2)n1 875476701 FHFKRZUQBNYSMC-UHFFFAOYSA-N 292.343 -0.552 50 20 CBGD C#CCSCC(=O)O[C@@H](C)C(=O)NNC(=O)CC 885898452 JELSPADYFHAHOC-QMMMGPOBSA-N 272.326 -0.158 50 20 CBGD C#CCCCC(=O)NNC(=S)NCCS(C)(=O)=O 899619870 CPPQGTYEIHABNH-UHFFFAOYSA-N 291.398 -0.670 50 20 CBGD COc1ccnc(NNC(=O)CCS(C)(=O)=O)n1 917099503 FTWQDBZWTVWVJE-UHFFFAOYSA-N 274.302 -0.637 50 20 CBGD O=C(NNC(=O)c1cnn[nH]1)c1ccc2c(c1)OCCO2 918302734 WMODTKHWHOENAQ-UHFFFAOYSA-N 289.251 -0.349 50 20 CBGD O=C(COC(=O)C1(O)CCC1)NNC(=O)c1ccccc1 918759679 MHCMQBNJRHRTAD-UHFFFAOYSA-N 292.291 -0.094 50 20 CBGD CSCCNC(=O)NNC(=O)C(=O)Nc1ccccn1 1118517506 ZUHDNIARTKZXJW-UHFFFAOYSA-N 297.340 -0.287 50 20 CBGD O=C(NNC(=O)N1CC[C@@H]2OCC[C@@H]2C1)c1cn[nH]c1 1118810566 KGRPDBBTLYCWFA-SCZZXKLOSA-N 279.300 -0.125 50 20 CBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)c1ccncc1 1123465970 ZFKNPOMTSKRNCV-JQWIXIFHSA-N 289.339 -0.769 50 20 CBGD COc1ccnc(NNC(=O)N[C@@H](C)c2nnnn2C)n1 1123737731 HTRFIKKTBVLWGH-LURJTMIESA-N 293.291 -0.604 50 20 CBGD O=C(CNC(=O)c1cccnc1)NN=Cc1csnn1 1253049984 VUOAJYCISFAZMC-UHFFFAOYSA-N 290.308 -0.187 50 20 CBGD Cn1ccnc(NNC(=O)c2n[nH]c3c2CCC3)c1=O 1319052598 LIMZKMHQYXMWFK-UHFFFAOYSA-N 274.284 -0.251 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)NC2CC2)ns1 1322038476 BLOAWXSABBJVBS-UHFFFAOYSA-N 268.298 -0.509 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCn3cncc3C2)cn1 1322895793 VTLSGPFZTUOLNR-VIFPVBQESA-N 288.311 -0.360 50 20 CBGD Cc1nnc(NNC(=O)COCc2cccnc2)nc1O 1323050187 WOWGTHIDGNYZEQ-UHFFFAOYSA-N 290.283 -0.059 50 20 CBGD Cc1cc(NC(=O)NNC(=O)CCO)ccc1C(N)=O 1323984790 DIYAMFGOXJHRCK-UHFFFAOYSA-N 280.284 -0.371 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(C(N)=O)c[nH]1 1326662011 RKADALMHULPGPJ-SVRRBLITSA-N 280.284 -0.700 50 20 CBGD COCCN(C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1327096811 NCPNTYVXWOTJPN-UHFFFAOYSA-N 284.272 -0.634 50 20 CBGD C[C@@H](CO)N(C)NC(=O)Cn1nc2n(c1=O)CCCCC2 1329863197 XITLXZOBNFKNSM-JTQLQIEISA-N 297.359 -0.885 50 20 CBGD O=C(CC1OCCO1)NNC(=O)C1CCOCC1 1332352877 VJNJHTZYKZIWAW-UHFFFAOYSA-N 258.274 -0.677 50 20 CBGD CNC(=O)c1cccc(C(=O)NNC(=O)NC(C)C)n1 1333112782 PGGMXEFFRNHGPC-UHFFFAOYSA-N 279.300 -0.206 50 20 CBGD CCC[C@@H](C)N1C[C@@H](C(=O)NNC(=O)CCCN)CC1=O 1577344531 DNSJILQEIWWECE-MNOVXSKESA-N 298.387 -0.090 50 20 CBGD O=C(NNC(=O)[C@@]12CCC[C@@H]1NCC2)c1ncon1 1580735880 GLGGZSOBUFBCRU-WRWORJQWSA-N 265.273 -0.637 50 20 CBGD C[C@H](Cc1cccnc1)NC(=O)NNC(=O)C(=O)O 1592897507 CJAZLUFIEBYMET-SSDOTTSWSA-N 266.257 -0.572 50 20 CBGD O=C(c1coc(-c2nn[nH]n2)c1)N1CC[C@H](B(O)O)C1 1593366804 BLYAWQZXXKHWAZ-ZETCQYMHSA-N 277.049 -0.851 50 20 CBGD CCC(=O)NNS(=O)(=O)c1ccc(C#N)cc1C(=O)O 1594712441 MLSWBVXNNYJMGY-UHFFFAOYSA-N 297.292 -0.024 50 20 CBGD O=C(NNC(=O)[C@@H](C(=O)O)C1CCCC1)C(=O)NC1CC1 1594779022 ISFSYUPCKJXCSU-VIFPVBQESA-N 297.311 -0.697 50 20 CBGD CC(C)[C@@H](CNC(=O)NNC(=O)c1cccnn1)C(=O)O 1602985050 OZYSVQRNBQQJCZ-MRVPVSSYSA-N 295.299 -0.223 50 20 CBGD COc1ccnc(NNC(=O)[C@H](C)n2cncn2)n1 47493455 MGZJTGDPULXTLH-ZETCQYMHSA-N 263.261 -0.219 50 20 CBGD CN1CCN(CC(=O)NNC(=O)CC2CCCC2)CC1 111591652 VAPSGUHTNJNGDW-UHFFFAOYSA-N 282.388 -0.039 50 20 CBGD COc1ccnc(C(=O)NNC(=O)CN(C)C)c1 116444637 HYPIFUWPSXVDLG-UHFFFAOYSA-N 252.274 -0.587 50 20 CBGD C[C@@H](N)C(=O)NNc1nc2ccccc2c(=O)n1C 151543526 OFWCGXZIGIYYDP-SSDOTTSWSA-N 261.285 -0.276 50 20 CBGD CN1CCO[C@@H](C(=O)NNc2ccnc(F)c2)C1 182427240 GECCPEKXAJYOJM-SECBINFHSA-N 254.265 -0.006 50 20 CBGD O=C1CCC[C@H](C(=O)NNC(=O)c2ccccc2O)N1 270619920 RJVSJNSIWPDLJM-SECBINFHSA-N 277.280 -0.178 50 20 CBGD C[C@@H](C(=O)NN(C)C(N)=O)N1C(=O)[C@H]2CCCC[C@H]2C1=O 272147870 FTOGWMBYFSQNBC-XHNCKOQMSA-N 296.327 -0.408 50 20 CBGD CC[C@H](C)CONC(=O)NNC(=O)C(=O)N1CCCC1 291940115 UFLDGJZCKXLGHV-VIFPVBQESA-N 286.332 -0.083 50 20 CBGD CCN(C)CCNC(=O)c1ccc(B(O)O)cc1 584944447 AHBSQTGJPFOICR-UHFFFAOYSA-N 250.107 -0.952 50 20 CBGD CCN1CC[C@H](NC(=O)c2cccc(B(O)O)c2)C[C@@H]1C 584949193 DTDGXCNLCRWJFW-FZMZJTMJSA-N 290.172 -0.031 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N(CCO)C1CC1 584959071 CQFMAAPDHIKVEJ-UHFFFAOYSA-N 267.065 -0.898 50 20 CBGD CN(C[C@@H]1CCC[C@@H]1O)C(=O)c1cc(B(O)O)ccc1F 584967230 SOIWWLQEDVJWEL-ZANVPECISA-N 295.119 -0.262 50 20 CBGD O=C(NC1CCC(CO)CC1)c1cccc(B(O)O)c1 584971526 AQIYBKJULYFVSS-UHFFFAOYSA-N 277.129 -0.353 50 20 CBGD O=C(N[C@@H]1CCC[C@H]1CCO)c1cc(B(O)O)ccc1F 584973900 KTEPHWAGTFAGLA-TVQRCGJNSA-N 295.119 -0.214 50 20 CBGD CN1CCCC[C@H](CNC(=O)c2cccc(B(O)O)c2)C1 585009704 ADYZZUOTINAYEA-GFCCVEGCSA-N 290.172 -0.172 50 20 CBGD OB(O)c1ccc(CNC[C@H]2COc3ccccc3O2)o1 585015060 NGMWHFYRAAYBLI-NSHDSACASA-N 289.096 -0.111 50 20 CBGD C[C@H]1CN(CCNCc2cccc(B(O)O)c2)CCO1 585022126 JDPCMQRCXSTHCD-LBPRGKRZSA-N 278.161 -0.823 50 20 CBGD CCCN1CC[C@H](NCc2ccccc2B(O)O)C1 585050129 RZGWOSQRLOBPPU-ZDUSSCGKSA-N 262.162 -0.060 50 20 CBGD O=S(=O)(NCB(O)O)c1cnc2ccsc2c1 585056597 ZDUCZTLVIXRVJU-UHFFFAOYSA-N 272.116 -0.413 50 20 CBGD O=C(NCC(=O)N1CC[C@@H](B(O)O)C1)NC1CCCCC1 585076683 OHMQHEHIWBKYQW-SNVBAGLBSA-N 297.164 -0.306 50 20 CBGD O=C(NNc1nc(-c2ccncc2)no1)[C@H]1COCCO1 728072427 JRPZKVGAYXMWMP-SECBINFHSA-N 291.267 -0.010 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)Cn1cccn1 728852717 QJDXBURYEMJUBF-UHFFFAOYSA-N 259.269 -0.332 50 20 CBGD CC[C@@H]1C(=O)NCCN1[C@H](C)C(=O)NNC(=O)CC(C)C 738327146 WFBUHTPRCWJVCB-GHMZBOCLSA-N 298.387 -0.221 50 20 CBGD COCCCCC(=O)NNC(=O)N1CCOCC1 746846746 FZOBYRGNWHDICW-UHFFFAOYSA-N 259.306 -0.124 50 20 CBGD O=C(CO)NNC(=O)Nc1ccn(Cc2ccccn2)n1 756648626 WOASYJPDUDXKHW-UHFFFAOYSA-N 290.283 -0.529 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CC12CCC2 759693130 FVIYQBVQTGAGIK-QMMMGPOBSA-N 253.302 -0.151 50 20 CBGD CO[C@@H](C)C(C)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 763164715 YOLLOKSEYLDNDF-DTWKUNHWSA-N 277.346 -0.117 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1ccc2[nH]ccc2c1 764429726 WTKDTGVWVSYKQL-UHFFFAOYSA-N 276.252 -0.754 50 20 CBGD CCO[C@@H]1CCCC1=NNC(=O)[C@@H](C)NS(C)(=O)=O 766446382 HRGYNKZTUMRJML-PSASIEDQSA-N 291.373 -0.015 50 20 CBGD CCn1cc(NC(=O)NNC(=O)CN(C)C)ccc1=O 775546024 QOXYHHZMQNEZTC-UHFFFAOYSA-N 281.316 -0.418 50 20 CBGD CCN(C)C(=O)[C@H](C)NC(=O)NNC(=O)c1ccc[nH]1 788898689 BODDDPGUADLDPJ-QMMMGPOBSA-N 281.316 -0.175 50 20 CBGD COC(=O)c1cc(C=NNC(=O)CN(C)C)on1 814832565 IFUJDAIYPVGSQE-UHFFFAOYSA-N 254.246 -0.527 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCc2nccn2C1 823918476 XMKUPDVCHZXFKM-NXEZZACHSA-N 252.318 -0.211 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ncn(C(C)(C)C)n1 823922443 KUHPSUAIAROOMD-QMMMGPOBSA-N 255.322 -0.010 50 20 CBGD COc1cccc(NNC(=O)[C@H]2OCCN(C)C2=O)n1 824801384 RBJMLBHJEZAZCW-SNVBAGLBSA-N 280.284 -0.610 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCc1cnn(C)c1 825721141 JYXTUFZWIBPGNV-GXSJLCMTSA-N 295.343 -0.282 50 20 CBGD O=C(NN=Cc1ccccc1-c1nn[nH]n1)C(=O)NC1CC1 826444704 QRZNXIXFEQUPMN-UHFFFAOYSA-N 299.294 -0.405 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1NC(=O)O[C@H]1C 843970876 MMDIAAZCRYMTMT-DKXJUACHSA-N 271.273 -0.944 50 20 CBGD CO[C@H](CC(=O)NNC(=O)C(=O)NC1CC1)C(F)(F)F 845110227 YNOWCAQEWZJJDX-ZCFIWIBFSA-N 297.233 -0.620 50 20 CBGD CNC(=O)NCCC(=O)NNC(=O)OCC(F)(F)F 856019070 OOXYEXGWFLRPBD-UHFFFAOYSA-N 286.210 -0.375 50 20 CBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cccc(F)n1 856424676 QUWSJAARQYSZKD-NKWVEPMBSA-N 281.243 -0.209 50 20 CBGD O=C(NNc1ncc(Cl)cn1)C1=NN2CCCN=C2N1 857729651 CRBPFNAQXVDPBL-UHFFFAOYSA-N 294.706 -0.449 50 20 CBGD C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NNC(=O)c1cn[nH]c1 858296659 SHTRFQYHFVPVQW-GZMMTYOYSA-N 292.343 -0.164 50 20 CBGD COC1(CCNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCC1 858489589 HNNPORZPYKUTKN-SECBINFHSA-N 298.343 -0.445 50 20 CBGD C#CC1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 858701087 BAFKNRNUIFCZEL-JTQLQIEISA-N 278.312 -0.649 50 20 CBGD C[C@H](OC[C@H]1CCCO1)C(=O)NNC(=O)c1cn[nH]c1 862474893 SMAHIJPBDGDERG-WCBMZHEXSA-N 282.300 -0.245 50 20 CBGD C#CC[C@@H](CCOC)NC(=O)c1cc(B(O)O)ccc1F 863890430 OWAZSXLGWVAMHD-NSHDSACASA-N 293.103 -0.336 50 20 CBGD Cn1cc(N2C[C@@H](C(=O)NNc3nc[nH]n3)CC2=O)cn1 863917095 USHVAMOBFZLZQJ-ZETCQYMHSA-N 290.287 -0.966 50 20 CBGD O=C(N[C@H]1CCN2CCC[C@@H]2C1)c1cccc(B(O)O)c1 864906624 QRMHSOWKXZVGNG-UONOGXRCSA-N 288.156 -0.277 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@]1(C)CCCOC1 869907082 ASVRMHGFMPXSSA-LBPRGKRZSA-N 274.317 -0.387 50 20 CBGD COC(=O)[C@](C)(CO)NS(=O)(=O)CCCCl 882248982 WONABQKOGLMLGJ-QMMMGPOBSA-N 273.738 -0.541 50 20 CBGD C[C@H]1CN(C(=O)NNC(=O)c2cccnn2)C[C@@H](C)O1 883849049 QXOADBFKIRUMQD-DTORHVGOSA-N 279.300 -0.060 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc([C@@H]2CCCN2C)[nH]n1 896128134 GVTFZGPCTCLEPX-NSHDSACASA-N 294.359 -0.501 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2 907624245 BUEPMXQYAUVXJE-OPVBNTEQSA-N 276.720 -0.166 50 20 CBGD CCc1n[nH]cc1C(=O)NNC(=O)NCCCOC 920862027 IXEFNKCIFHDISC-UHFFFAOYSA-N 269.305 -0.047 50 20 CBGD Cn1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 1118884658 MJNIUSRHONXOHE-QMMMGPOBSA-N 250.258 -0.935 50 20 CBGD CC(C)(C)n1cnc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 1118885348 YPDKWERINZBSJU-SSDOTTSWSA-N 294.315 -0.927 50 20 CBGD Cc1nc(O)nc(S)c1C(=O)NN(C)C[C@@H](C)O 1263841906 YOCROJFLFXTXET-RXMQYKEDSA-N 272.330 -0.263 50 20 CBGD NC(=O)C(=O)NN=Cc1cncc(Br)c1 1320401419 YWMRVXLECSWCKE-UHFFFAOYSA-N 271.074 -0.221 50 20 CBGD Cc1nnc(O)c(C(=O)NNC(=O)C(C)(C)O)c1C 1320809282 UKMVHTULYSFQOV-UHFFFAOYSA-N 268.273 -0.669 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1C[C@@]12CCOC2 1323940583 GXTWFDGSDASUAD-QPUJVOFHSA-N 269.301 -0.915 50 20 CBGD Cc1nn(CCO)c(C)c1C=NNC(=O)Cc1cc[nH]n1 1324258715 OFFDCLPRCXXOMX-UHFFFAOYSA-N 290.327 -0.092 50 20 CBGD C=CCn1cc(C(=O)NNC(=O)NCCCOC)nn1 1326370225 JTVZVPVOXARQAA-UHFFFAOYSA-N 282.304 -0.555 50 20 CBGD C[C@H](C(=O)NNC(=O)c1ccncc1)[C@@H]1CCC(=O)N1 1328688701 DGGABGORWFYGOI-WPRPVWTQSA-N 276.296 -0.243 50 20 CBGD COC[C@@H]1CCCN1C(=O)NNC(=O)c1cn[nH]c1 1329194079 UAKCLVAMYLVSDO-VIFPVBQESA-N 267.289 -0.125 50 20 CBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)CCN1C 1329735956 QPFWWWYJEADBKW-WPRPVWTQSA-N 280.332 -0.164 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cccnc2F)N1 1330109826 WXGFCZCVLZJTSY-ZETCQYMHSA-N 266.232 -0.740 50 20 CBGD COC(=O)COCC(=O)NNc1nncc(N)c1Cl 1330191958 QRLSSNMMPIOLGN-UHFFFAOYSA-N 289.679 -0.655 50 20 CBGD NC(=O)N1CCC[C@H]1C(=O)NNc1ncccn1 1330677193 CVNLGYMPGMFEEE-ZETCQYMHSA-N 250.262 -0.537 50 20 CBGD COC(=O)C(=O)NN[C@@H](C(=O)N(C)C)c1ccccc1 1330772567 AUWARNLNEMUZPY-SNVBAGLBSA-N 279.296 -0.390 50 20 CBGD O=C(N[C@@H]1CN2CCC1CC2)c1cccc(B(O)O)c1 1336617125 OXWLNXBVIXFFCS-CYBMUJFWSA-N 274.129 -0.810 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCO[C@@H](C)C1 1337295861 ZUMLZFVBHBGLNO-DTWKUNHWSA-N 271.317 -0.527 50 20 CBGD CNC(=O)NNC(=O)c1ccc(F)c(S(C)(=O)=O)c1 1340309271 UJOJRMYKIPPLOI-UHFFFAOYSA-N 289.288 -0.197 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1ccnn1C(C)C 1342593471 YAJGLYNDNBFPQB-UHFFFAOYSA-N 267.289 -0.040 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCn3ccnc3C2)cn1 1347955579 WDBLFAWZKDVYHE-VIFPVBQESA-N 288.311 -0.360 50 20 CBGD CC(C)[C@@H]1C[C@H](C(=O)NNC(=O)C(=O)NC2CC2)CCO1 1351934915 MQBIISRXGCMWFY-KOLCDFICSA-N 297.355 -0.136 50 20 CBGD Cc1cccc(NC(=S)NNC(=O)[C@H](N)CO)c1C 1574165468 KFQZINMLMSNLSB-SECBINFHSA-N 282.369 -0.059 50 20 CBGD COc1ccc(NC(=O)NNC(=O)[C@@H](O)CN)cc1 1579228556 SIIAATQVMQHZMC-VIFPVBQESA-N 268.273 -0.833 50 20 CBGD COC[C@@H](OC)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 1591383365 PZRROMPFIRVPGM-SNVBAGLBSA-N 292.299 -0.029 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@@H](CC1OCCO1)C(=O)O 1596864496 WJWCXLHIFBNEEY-FLOXNTQESA-N 284.268 -0.237 50 20 CBGD CN1CCN(C(=O)NN=Cc2cc(C(=O)O)no2)CC1 1598611041 UPXSHMBOJXXRNQ-UHFFFAOYSA-N 281.272 -0.336 50 20 CBGD CNC(=O)NCCC(=O)NNc1ccc(C(=O)O)cn1 1598653013 ISOUOGRGMYGNCS-UHFFFAOYSA-N 281.272 -0.458 50 20 CBGD O=C(NCc1cccc(CO)c1)NNC(=O)C(=O)O 1601541596 XVBBLEPMHGSIKM-UHFFFAOYSA-N 267.241 -0.906 50 20 CBGD CC(C)[C@H](CNC(=O)NNC(=O)c1cccnn1)C(=O)O 1602985051 OZYSVQRNBQQJCZ-QMMMGPOBSA-N 295.299 -0.223 50 20 CBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)c1nc[nH]c2ncnc1-2 1604878238 LLNLDDYMNSHTIZ-RXMQYKEDSA-N 292.255 -0.824 50 20 CBGD COC(=O)C(=O)NN[C@@H](C(=O)O)c1ccsc1 1606317674 YPAJKIXYXMRWSX-ZCFIWIBFSA-N 258.255 -0.332 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccc(C(=O)O)cn1 1610257283 KHLIDBCGMOJKQA-UHFFFAOYSA-N 296.283 -0.240 50 20 CBGD COCc1cccc(C(=O)NNC(=O)C(=O)NC2CC2)c1 8402381 LCNBRDFNZPYRBK-UHFFFAOYSA-N 291.307 -0.127 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccccc1OC 48962024 PVODKVATUNSZDF-UHFFFAOYSA-N 259.287 -0.183 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)CCN1 88060700 JIKXUIDCEGJNIJ-NSHDSACASA-N 276.340 -0.259 50 20 CBGD CCOCCNC(=O)NNC(=O)Cc1cccnc1 103511460 QIVJSLZUNYHEBG-UHFFFAOYSA-N 266.301 -0.009 50 20 CBGD CN1N=C(C(=O)NNC(=O)c2ccccc2O)CCC1=O 105319928 ZLCNULATIARYBU-UHFFFAOYSA-N 290.279 -0.239 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)c(F)c1 126455837 OZENAAPFHXETSE-UHFFFAOYSA-N 296.302 -0.218 50 20 CBGD O=C(NNc1ccccc1[N+](=O)[O-])[C@H]1C[C@H](O)CN1 163462664 HPYQUAAZNGBINM-IONNQARKSA-N 266.257 -0.239 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNC(=O)NC1CCCCC1 263746984 VVTDPJRDYRVTMU-ZETCQYMHSA-N 271.321 -0.294 50 20 CBGD COC(=O)N(C)CC(=O)NNc1ncnc2nc[nH]c12 266437683 FWOVDAZGNGRCSV-UHFFFAOYSA-N 279.260 -0.506 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)CS(C)(=O)=O 299063772 PLOACCVRXCLQSV-UHFFFAOYSA-N 270.310 -0.199 50 20 CBGD CCN1CCO[C@@H](C(=O)NNC(=O)c2cccnc2)C1 363583188 OEXBOCCKUQTXBV-LLVKDONJSA-N 278.312 -0.437 50 20 CBGD Cc1nc(CNS(=O)(=O)CBr)n[nH]1 392309672 DZADMSWEALMVSS-UHFFFAOYSA-N 269.124 -0.115 50 20 CBGD C[C@@]1(C(=O)Nc2cccc(B(O)O)c2)CCC(=O)NC1 584914485 XVUYCQCSAAYTRP-CYBMUJFWSA-N 276.101 -0.779 50 20 CBGD Cn1ncc2c1CCC[C@H]2NC(=O)c1ccc(B(O)O)cc1 584931405 TXJOBAGSGGVKCN-CYBMUJFWSA-N 299.139 -0.093 50 20 CBGD O=C(N[C@H]1CCC[C@@H]1CCO)c1cc(B(O)O)ccc1F 584973898 KTEPHWAGTFAGLA-RNCFNFMXSA-N 295.119 -0.214 50 20 CBGD C[C@H]1COCC[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584983278 PVXKLFWXTAYUKI-UFBFGSQYSA-N 281.092 -0.340 50 20 CBGD OCCN1CCC(CNCc2ccccc2B(O)O)CC1 585021476 LIVCKWTYJYUPPU-UHFFFAOYSA-N 292.188 -0.840 50 20 CBGD COCCCN(C)CCNCc1ccccc1B(O)O 585025954 AHBIGCAUNOLFQP-UHFFFAOYSA-N 280.177 -0.576 50 20 CBGD COc1cc(CNCc2ccc(B(O)O)o2)ccn1 585032928 RIZWVRCEHGMYFG-UHFFFAOYSA-N 262.074 -0.347 50 20 CBGD OC[C@H](CC(F)F)NCc1ccc(B(O)O)cc1 585038075 RIJOYIILLVJOFK-JTQLQIEISA-N 259.061 -0.528 50 20 CBGD Cn1ccnc1[C@H](NCc1ccc(B(O)O)o1)C1CC1 585040926 SHRPPCACXUNHJM-GFCCVEGCSA-N 275.117 -0.066 50 20 CBGD Cc1nnsc1CNCc1cccc(B(O)O)c1 585043010 JHNGVSRDKXVDTO-UHFFFAOYSA-N 263.131 -0.184 50 20 CBGD COCC1(NCc2ccc(B(O)O)cc2F)CCOCC1 585043327 MXZXPZPUQLYFKT-UHFFFAOYSA-N 297.135 -0.209 50 20 CBGD Cn1cc(-c2nc(C(=O)NCB(O)O)cs2)cn1 585061843 JGBIQZSTBYUDCE-UHFFFAOYSA-N 266.091 -0.715 50 20 CBGD CCS(=O)(=O)C[C@@H](C)NC(=O)NNc1cccnn1 737047967 TXPYUDVEJLLRSD-MRVPVSSYSA-N 287.345 -0.074 50 20 CBGD CN(C)C(=O)NNC(=O)CCOC[C@@H]1CCCO1 746001411 MAKZRQMBILINDK-VIFPVBQESA-N 259.306 -0.126 50 20 CBGD CCO/C=C(/C#N)C(=O)NCCS(=O)(=O)CC 746510355 LTAYAWPGRIFRLT-HJWRWDBZSA-N 260.315 -0.019 50 20 CBGD O=C(NNC(=S)NC[C@H]1CCOC1)N1CCOCC1 749691464 ZSBCMZOJXHHJTP-SECBINFHSA-N 288.373 -0.556 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H](COC)C1CC1 750446723 OFZOCZNPJRIKOC-VIFPVBQESA-N 259.306 -0.222 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@@](C)(O)C1CC1 755425516 KQOPBXGDWCODCJ-GFCCVEGCSA-N 271.317 -0.791 50 20 CBGD COC(=O)Cc1cccc(C(=O)NNC(=O)CO)c1 779402991 ITFAORSVCWGXLC-UHFFFAOYSA-N 266.253 -0.845 50 20 CBGD O=C(Cn1cnnn1)NNc1ncncc1Cl 781823495 IZLTXZJSBXWSOE-UHFFFAOYSA-N 254.641 -0.740 50 20 CBGD O=C(NNC(=O)[C@H](O)C1CCCCC1)C(=O)N1CCCC1 783592504 GBMKJGIRMHIWAO-LLVKDONJSA-N 297.355 -0.303 50 20 CBGD CO[C@@H](C)CCC(=O)NNC(=O)N1CCN(C)CC1 788166399 MABWLOJUTVNYST-JTQLQIEISA-N 272.349 -0.210 50 20 CBGD CC(C)N(C)c1ccc(C=NNC(=O)C(N)=O)cn1 790142952 OYHNVGROMXNMKN-UHFFFAOYSA-N 263.301 -0.138 50 20 CBGD CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)C(=O)NC1CC1 792852802 HUPQKVUSEUQXCB-APPZFPTMSA-N 271.317 -0.527 50 20 CBGD CC1=C(C(=O)NNC(=O)C2CCC2)S(=O)(=O)CCO1 798291421 JRTOIEIBNIFRAW-UHFFFAOYSA-N 288.325 -0.390 50 20 CBGD Cc1cc(O)cc(=O)n1CC(=O)NNc1ncncc1F 817079132 IXBXMPRVKIRLNA-UHFFFAOYSA-N 293.258 -0.065 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)CC2CC2)o1 819136565 ZZLXDFGHMPJUPE-UHFFFAOYSA-N 251.242 -0.060 50 20 CBGD CCC(=O)N1CCC[C@H](C(=O)NN(C)[C@H](C)CO)C1 823971494 VKULJFJZKWHMCJ-MNOVXSKESA-N 271.361 -0.021 50 20 CBGD CN(CC(=O)NNC(=O)[C@H]1CCC(=O)N1)CC(C)(C)C 824857595 UYNHWDLMOWSZRL-SECBINFHSA-N 284.360 -0.610 50 20 CBGD CCNC(=O)[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 825594195 GOABNXQMVWJWDG-DJLDLDEBSA-N 286.332 -0.734 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCCNC(=O)C1CC1 843976322 XTJYULPDXZHIOJ-ONGXEEELSA-N 297.355 -0.135 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@H](C)S(C)(=O)=O)C1CC1 855101775 CAKPJFACJGESKX-BQBZGAKWSA-N 293.414 -0.287 50 20 CBGD C[C@@H]1N(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCOC1(C)C 858696187 KMQWKIKCPYILOH-IUCAKERBSA-N 298.343 -0.495 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1CC(OC)C1 859846842 JQIPJUSJVVVMSZ-UEJVZZJDSA-N 272.301 -0.100 50 20 CBGD C=CCCOCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862453479 WBQYNOJEJKYEFF-QMMMGPOBSA-N 255.274 -0.995 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C=C(C1CC1)C1CC1 863460439 WXLAJEVPQYPJFP-UHFFFAOYSA-N 286.353 -0.075 50 20 CBGD COC(=O)CCC(=O)COc1ccc(B(O)O)cc1 863866534 VMZICWGCGBNGOH-UHFFFAOYSA-N 266.058 -0.733 50 20 CBGD CC1=NO[C@@H](CNC(=O)c2cccc(B(O)O)c2)C1 863883940 SHTVYSYYMUXFOS-LLVKDONJSA-N 262.074 -0.739 50 20 CBGD CCOC(=O)[C@H](C)N(C)C(=O)c1cc(B(O)O)ccc1F 863885795 OWKBUSXDLZLCQN-QMMMGPOBSA-N 297.091 -0.471 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@@H]1CCCNC1=O)C1CC1 869218995 PQRATHHHBAGUEG-IONNQARKSA-N 284.385 -0.194 50 20 CBGD OCC[C@@H](NCc1ccc(B(O)O)cc1)C(F)(F)F 895884585 KPIMGCAHMLANBP-SNVBAGLBSA-N 277.051 -0.231 50 20 CBGD CO[C@]1(C(=O)NNC(=O)c2cc[nH]n2)CCSC1 898587883 SFPFQEVCKRJRQZ-SNVBAGLBSA-N 270.314 -0.307 50 20 CBGD CCNC(=O)NNC(=O)CCN1CCN(C(C)C)CC1 900386279 PLBCERZTMYYNDY-UHFFFAOYSA-N 285.392 -0.247 50 20 CBGD CCO/C=C(/C#N)C(=O)N1C[C@H](O)C[C@@]1(C)CO 912662322 IVALYGUCFLIWBP-UDNGQWLYSA-N 254.286 -0.225 50 20 CBGD C[C@H](NNC(=O)[C@H]1OCCN(C)C1=O)C(F)(F)F 912898804 QYYCMBHAJFNSGV-NTSWFWBYSA-N 269.223 -0.585 50 20 CBGD CCOCCCC(=O)NNC(=O)CN1CCCC1=O 920432926 KAYDIHFEDWYNCK-UHFFFAOYSA-N 271.317 -0.427 50 20 CBGD C[C@@H](CO)CCCNC(=O)NNC(=O)C(=O)NC1CC1 1116396269 SKIIPOZCJTVXSW-MRVPVSSYSA-N 286.332 -0.996 50 20 CBGD C[C@@H](C(=O)NNc1ncncc1F)n1cnc(C#N)n1 1117730865 WCCZFGGMEVOVQY-LURJTMIESA-N 276.235 -0.217 50 20 CBGD COC(=O)COCC(=O)NNC(=S)NC(C)(C)C 1119528411 ZMQWSSXOKBFBHU-UHFFFAOYSA-N 277.346 -0.530 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@H]1CCOC1 1261451957 OKDHUGKXBGUGTI-GUBZILKMSA-N 271.317 -0.222 50 20 CBGD Cn1cc(C(=O)NNC(=O)N[C@H]2CCCOCC2)cn1 1319965077 AENUVJSKGXQPSC-JTQLQIEISA-N 281.316 -0.067 50 20 CBGD COC(=O)NNC(=O)c1ccc2nnc(O)n2c1 1320545539 HAPDFLGCFOHWGH-UHFFFAOYSA-N 251.202 -0.564 50 20 CBGD C[C@H](NC(=O)NNC(=O)C(=O)N1CCCC1)[C@H]1CCOC1 1321151498 YBXIWKRJWAMKGD-UWVGGRQHSA-N 298.343 -0.636 50 20 CBGD COC(=O)C(=O)NN=Cc1ncc(C2OCCO2)s1 1322092358 OBQHVKGVZSYLPH-UHFFFAOYSA-N 285.281 -0.188 50 20 CBGD Cc1cc(C=NNC(=O)C(=O)N2CCCC2)ncn1 1324162584 HOZOHPXXUMIYMY-UHFFFAOYSA-N 261.285 -0.142 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 1324930477 JKJYQGAUPUHVMB-SECBINFHSA-N 298.320 -0.913 50 20 CBGD Cc1nnc(NNC(=O)c2cnc(S)[nH]2)nc1O 1325204011 OWFZGHSHZZHRTN-UHFFFAOYSA-N 267.274 -0.346 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1CCOCC1 1326364774 VFFBQOAOZGRXDI-PSASIEDQSA-N 256.302 -0.015 50 20 CBGD NNC(=O)NCc1ccc(CN2CCNC2=O)cc1 1332557782 PBTISDCRNZKTQO-UHFFFAOYSA-N 263.301 -0.115 50 20 CBGD CCCNC(=O)CCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 1335419597 UFHXVEFXXOFPOV-SECBINFHSA-N 298.343 -0.891 50 20 CBGD CC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CCO)cc1 1337980432 GCRVPXKUTBQMFU-UHFFFAOYSA-N 293.279 -0.643 50 20 CBGD Cc1nnc2n1C[C@H](C(=O)NN(C)C(N)=O)CC2 1341910993 ZYZCEZYYEDTEFK-SSDOTTSWSA-N 252.278 -0.809 50 20 CBGD O=C(O)Cc1ccc(NNC(=O)N[C@H]2CCNC2=O)cc1 1602128664 YTMVLZKLWQHRRK-JTQLQIEISA-N 292.295 -0.172 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(C(=O)O)cn1 1604057754 RLQZWWHPKGWGMV-UHFFFAOYSA-N 266.257 -0.898 50 20 CBGD CN1C[C@H](C(=O)NNc2ccc(C(=O)O)cc2F)NC1=O 1606197962 PFQYGNZFTSUCSB-SECBINFHSA-N 296.258 -0.009 50 20 CBGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)NC1CC1 7436937 RHLXOGJLEVBVRS-LLVKDONJSA-N 289.291 -0.584 50 20 CBGD C[S@](=O)CCNS(=O)(=O)CBr 163927080 BUXYTMJBXIEEKM-SNVBAGLBSA-N 264.166 -0.363 50 20 CBGD CC[C@H](C(=O)NNC(=O)c1cnn(C)c1)C(=O)OC 276644553 MZECRHREOVABSZ-MRVPVSSYSA-N 268.273 -0.620 50 20 CBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNC(=O)Nc2ccccc2)O1 282880236 VHGGTBNPDOCINA-VHSXEESVSA-N 292.295 -0.128 50 20 CBGD COC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)c1cnn(C)c1 285516203 OMQACCSULCXTAM-IUCAKERBSA-N 280.284 -0.620 50 20 CBGD CO/N=C/C(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C 290315060 CLMYRXITGCVHKC-LFKKQGMHSA-N 288.304 -0.321 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CN1CCCCCCC1=O 373130103 IJTFWWXFELNOGK-UHFFFAOYSA-N 285.344 -0.303 50 20 CBGD O=C(N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1CO)c1cccc(B(O)O)c1 584962607 IQXHOBGNNVKPAE-ZNIXKSQXSA-N 289.140 -0.497 50 20 CBGD O=C(CCCNCc1ccccc1B(O)O)NC1CC1 585024650 ZMODRROHJSXHMZ-UHFFFAOYSA-N 276.145 -0.485 50 20 CBGD CCc1nc([C@H](C)NCc2ccc(B(O)O)o2)n[nH]1 585035658 WKGUWAXHBYJNAK-ZETCQYMHSA-N 264.094 -0.509 50 20 CBGD O=S(=O)(c1ccc2c(c1)COC2)N1CC[C@H](B(O)O)C1 585058376 YVMVNOAJXDWPMC-NSHDSACASA-N 297.141 -0.046 50 20 CBGD O=C(NCB(O)O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 585061115 PZCZJVTWXINJFC-QMMMGPOBSA-N 296.519 -0.179 50 20 CBGD CCCC[C@H](NC(N)=O)C(=O)N1CC[C@@H](B(O)O)C1 585076028 KFKJJDAGDNVQKL-BDAKNGLRSA-N 271.126 -0.711 50 20 CBGD COc1ccccc1CC(=O)NNC(=S)NCC(N)=O 727080292 MJBQZVDHKRHTTP-UHFFFAOYSA-N 296.352 -0.782 50 20 CBGD Cc1ncc(C(=O)NNC(=O)CNC(=O)c2ccco2)[nH]1 732282835 WAYZILGDWYMALU-UHFFFAOYSA-N 291.267 -0.498 50 20 CBGD O=C(NNC(=O)c1ccc(C(=O)O)cc1)C(=O)NC1CC1 739455383 ZYTWWWDGXSMFRS-UHFFFAOYSA-N 291.263 -0.576 50 20 CBGD C[C@@H](C(=O)NNC(=O)Cc1ccncc1)N(C)C 750624631 ARMFGBGKULHYOZ-VIFPVBQESA-N 250.302 -0.278 50 20 CBGD CNC(=O)[C@H]1CN(C(=O)NNC(=O)C2CCCC2)CCO1 753335048 KQJQDGQTYCDYCP-SNVBAGLBSA-N 298.343 -0.636 50 20 CBGD O=C(CO)NNC(=O)CCNC(=O)c1cccs1 753445908 VNYVAMUFDJVFHS-UHFFFAOYSA-N 271.298 -0.992 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCNC(=O)C2)c(O)c1 754462608 RQNZYQIYNSOBPL-VIFPVBQESA-N 291.307 -0.012 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)CCOCC 768494257 KSNZLCVLBIDZHT-UHFFFAOYSA-N 253.324 -0.481 50 20 CBGD Cc1coc2ccc(NC(=O)C(=O)NNC(=O)CO)cc12 773497244 SXCZCDMCVQMXSI-UHFFFAOYSA-N 291.263 -0.181 50 20 CBGD CC(C)[C@H](F)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 784143376 CMWNYKAMNWCSPE-YUMQZZPRSA-N 295.336 -0.502 50 20 CBGD NC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)NC2CC2)C1 786827490 OJNIEIFMCPMEJA-YUMQZZPRSA-N 268.317 -0.229 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2nccn2C1)NC1CC1 786828759 ZIIPPSBYHWVOQV-MRVPVSSYSA-N 263.301 -0.062 50 20 CBGD O=C(CC1OCCCO1)NNC(=O)c1cccnc1 788626969 XKKLQVQSTUOSTN-UHFFFAOYSA-N 265.269 -0.004 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2C)n1 794084229 POMADEXQNSBCCZ-SNVBAGLBSA-N 276.296 -0.228 50 20 CBGD O=C1CCC[C@H](C(=O)NNc2ncc(F)cn2)N1 799712630 IJFGTWRSPZATRF-SSDOTTSWSA-N 253.237 -0.273 50 20 CBGD C[C@H](CO)N(C)NC(=O)Cc1ccc(C(N)=O)cc1 823927656 CPUXKYDPDDNQDG-SECBINFHSA-N 265.313 -0.328 50 20 CBGD COc1ccc(NNC(=O)[C@@H]2CC(=O)NC(=O)N2)nc1 832650381 XVZQBIVAJQEJST-ZETCQYMHSA-N 279.256 -0.869 50 20 CBGD CCN1C[C@@H](NC(=O)NNc2nccc(OC)n2)CC1=O 838678291 ZJOVLXZQXVPTFU-QMMMGPOBSA-N 294.315 -0.268 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cn(CC(=O)O)nn1 842551944 GPAUUNQKJJWDDV-CBAPKCEASA-N 281.272 -0.762 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCCN1C 843971543 CEQZNPLODNJIHA-LPEHRKFASA-N 255.318 -0.347 50 20 CBGD CCNC(=O)N(C)NC(=O)Cn1nnc2c1CCCC2 847687742 WASYRSYAPLWFQQ-UHFFFAOYSA-N 280.332 -0.151 50 20 CBGD O=C(NNC(=O)C1CC1)c1cccc(-n2cncn2)n1 854180005 GPJZTYUIPXLDNL-UHFFFAOYSA-N 272.268 -0.167 50 20 CBGD C=CCn1cc(C(=O)NN(C)C(=S)NC)nn1 854927930 UHPGSWUMOWNNNJ-UHFFFAOYSA-N 254.319 -0.455 50 20 CBGD CCC[C@H](OCC)C(=O)NNC(=O)C(=O)N1CCCC1 858935351 JTXZBHSEXSPOQS-JTQLQIEISA-N 285.344 -0.039 50 20 CBGD CC(C)n1cc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 860715377 UWIABHBJVFDEKG-SECBINFHSA-N 294.315 -0.105 50 20 CBGD CCn1ncc(C)c1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 861211841 PONMKMAIJNMEMQ-QMMMGPOBSA-N 294.315 -0.357 50 20 CBGD O=C(/C=C\c1ccco1)NNC(=O)[C@H]1CCC(=O)N1 862448780 HHHSLUACRZHTPC-AZVKUDOFSA-N 263.253 -0.281 50 20 CBGD CCO/C=C(/C#N)C(=O)NCCCS(=O)(=O)NC 863432158 UCVFPFXVLCCONB-HJWRWDBZSA-N 275.330 -0.514 50 20 CBGD CCOC(=O)C[C@@H](C)NC(=O)c1cccc(B(O)O)c1 863879903 GXDCSLHCMQQNLY-SECBINFHSA-N 279.101 -0.562 50 20 CBGD CCN(CC)C[C@@H](C)NC(=O)c1cccc(B(O)O)c1 865807917 ZSZZQXZZYHRGKJ-LLVKDONJSA-N 278.161 -0.174 50 20 CBGD CCN1CC[C@@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)C1=O 868838788 QMXWSRMICGSPSY-ZJUUUORDSA-N 298.343 -0.493 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1O[C@H](C)C[C@H]1C 869904526 AEEJNIULMKIQRW-FXPVBKGRSA-N 274.317 -0.390 50 20 CBGD CN(C(=O)c1cc(B(O)O)ccc1F)[C@@H]1CCCC[C@H]1O 869927034 RHHWGSZFZZPSFH-CHWSQXEVSA-N 295.119 -0.119 50 20 CBGD O=C(NNC(=O)N1C[C@H]2COC[C@H]2C1)c1cn[nH]c1 873081180 WSFDHVNYJCGYJN-DTORHVGOSA-N 265.273 -0.658 50 20 CBGD O=C(CN1CCOCC1=O)NNc1ccc(F)cn1 874648608 VZEIZBIPYMCPMP-UHFFFAOYSA-N 268.248 -0.477 50 20 CBGD C=CCCOCC(=O)NNC(=O)CN1CCCC1=O 920433140 OYVQGMUZZLTGKQ-UHFFFAOYSA-N 269.301 -0.651 50 20 CBGD C=CCCOCC(=O)NNc1nnc(C)c(O)n1 920437664 DEDOZJZIOTZTGE-UHFFFAOYSA-N 253.262 -0.079 50 20 CBGD Cc1n[nH]c(C)c1C=NNC(=O)Cc1cc(O)nc(O)n1 1116155568 FLSJHIAESOEPSC-UHFFFAOYSA-N 290.283 -0.079 50 20 CBGD O=C(CC1CC(F)(F)C1)NNC(=O)[C@H]1CCC(=O)N1 1118909854 NFKIFABDLYAXHN-SSDOTTSWSA-N 275.255 -0.152 50 20 CBGD COC[C@@](C)(NC(=O)NNC(=O)CCO)C(F)(F)F 1119842857 GUDZRPFCADWTLB-MRVPVSSYSA-N 287.238 -0.333 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C1(C)CCOCC1 1251514607 VPEQLKOOJBLKGF-UHFFFAOYSA-N 271.317 -0.525 50 20 CBGD O=C(Cc1cscn1)NNC(=O)CN1CCCC1=O 1262186151 PUEUZLIVRZEMDO-UHFFFAOYSA-N 282.325 -0.545 50 20 CBGD CNC(=O)NNC(=O)c1cnc2ccc(C)cn2c1=O 1317963358 VMFMSVQMULEGKI-UHFFFAOYSA-N 275.268 -0.423 50 20 CBGD NC(=O)c1cnc(C(=O)NNC(=O)NC2CC2)c(Cl)c1 1319628708 YRAIUTJODSAFHX-UHFFFAOYSA-N 297.702 -0.060 50 20 CBGD CN(NC(=O)c1nnc(O)c2ccccc12)C(N)=O 1319843024 WHHJVIZZLUDUTK-UHFFFAOYSA-N 261.241 -0.009 50 20 CBGD CCNC(=O)CCC(=O)NNC(=O)Cc1cccnc1 1322684510 IFYCKMALKAVFAK-UHFFFAOYSA-N 278.312 -0.312 50 20 CBGD COC(=O)N(C)NC(=O)[C@H]1CCc2nncn2C1 1325022685 HKFAFFNHQOKCHH-ZETCQYMHSA-N 253.262 -0.430 50 20 CBGD O=C(CO)NNC(=O)C1(Oc2ccccc2)CC1 1325503530 LIWPKBGIJIEDGT-UHFFFAOYSA-N 250.254 -0.262 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1328894761 DVFVPMLDZOYHPO-YIZRAAEISA-N 260.290 -0.780 50 20 CBGD O=C(CN1C(=O)CNC1=O)NNc1ccc(Cl)nc1 1330089481 NCFHYIHJRXHKIU-UHFFFAOYSA-N 283.675 -0.270 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CN(C)CCO2)cc1 1330269413 COUKEDXIXVEPQB-LBPRGKRZSA-N 293.323 -0.213 50 20 CBGD CC(=O)N1CCN(C(=O)NNC(=O)c2cn[nH]c2)[C@@H](C)C1 1331312354 HRKDGIQLEYSOFQ-QMMMGPOBSA-N 294.315 -0.683 50 20 CBGD O=C(C[C@H]1C[C@H]2CC[C@H]1O2)NNC(=O)CN1CCCC1=O 1332272820 APVPANGYXBUKJT-GMTAPVOTSA-N 295.339 -0.286 50 20 CBGD O=C(NN=C1CCS(=O)(=O)C1)C1CCOCC1 1336995417 OKSGMKNGAOHNHX-UHFFFAOYSA-N 260.315 -0.296 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1338815431 JSJIIQJOFVCYOX-XHNCKOQMSA-N 257.290 -0.660 50 20 CBGD COCCO[C@H](C)C(=O)NN=Cc1ncnn1C 1345931587 SCMZXKGVTVHPCG-MRVPVSSYSA-N 255.278 -0.683 50 20 CBGD COCCOCC(=O)NNC(=O)/C=C\[C@@H]1CCOC1 1348740361 AYJQFJHEEYQPRK-MXQLGCADSA-N 272.301 -0.611 50 20 CBGD CN1CC[C@@H]1CNC(=O)NNC(=O)c1cnn(C)c1 1350955196 HRUFXZNPNZLUBG-SECBINFHSA-N 266.305 -0.932 50 20 CBGD C=C(CCC(=O)O)C(=O)NNC(=O)c1cc(C)[nH]n1 1573337981 VGBXIVSDVRJRBC-UHFFFAOYSA-N 266.257 -0.100 50 20 CBGD COC(=O)[C@@H](N)CCC(=O)NN=c1cc[nH]c(C)c1 1573927609 FCHBLSKSOGRHHD-JTQLQIEISA-N 266.301 -0.464 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1C[C@@H](N)C1(C)C 1579057247 WVZMCXURYKPRIS-DTWKUNHWSA-N 273.333 -0.830 50 20 CBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1ncccc1C(=O)O 1589415721 LLCIARKWQRGIGF-VDTYLAMSSA-N 280.240 -0.280 50 20 CBGD O=C(O)CNC(=O)NN=Cc1cn2cccnc2n1 1602071986 GSMSPGLGCRZBFN-UHFFFAOYSA-N 262.229 -0.553 50 20 CBGD C#CCCCC(=O)NNC(=O)Cn1ccc(C(=O)O)n1 1602701187 AQZHTLTUUHNVGL-UHFFFAOYSA-N 278.268 -0.468 50 20 CBGD C[C@H]1CN(CCC(=O)O)CCN1S(=O)(=O)CCl 1609873638 KBAPXPXZSHZVCT-QMMMGPOBSA-N 284.765 -0.007 50 20 CBGD COC(=O)C(=O)NN[C@H](C(=O)O)c1cccnc1 1610149801 PZSOTXHHELUDNA-ZETCQYMHSA-N 253.214 -0.999 50 20 CBGD Cn1cc(C(=O)O)cc1C=NNC(=O)CS(C)(=O)=O 1776096984 AUJGKDQPZGPADW-UHFFFAOYSA-N 287.297 -0.782 50 20 CBGD CNC(=O)NNC(=O)CSc1nncn1C(C)C 48949926 HVZBCLGLGPYOOS-UHFFFAOYSA-N 272.334 -0.089 50 20 CBGD CC(C)c1cc(C(=O)NNC(=O)CN(C)C)n(C)n1 175340486 SUAAHYBWSJSTLW-UHFFFAOYSA-N 267.333 -0.134 50 20 CBGD CC(C)(C)C(=O)C(=O)NNC(=O)N1CCOCC1 266894006 XEWUFRMEYCODDN-UHFFFAOYSA-N 257.290 -0.325 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2CC(=O)N(C)C2)n1 266937107 OWWRGMPUPGPSDE-MRVPVSSYSA-N 279.300 -0.285 50 20 CBGD Cc1cnc(C(=O)NNC(=O)N2CCN(C)CC2)cn1 278691751 RHLCRVZQGFEWRZ-UHFFFAOYSA-N 278.316 -0.613 50 20 CBGD CO[C@H](C(=O)NNC(=O)c1cc(C)n[nH]1)c1cnn(C)c1 281426499 AMWSLASMZNNVRE-JTQLQIEISA-N 292.299 -0.400 50 20 CBGD CN1C[C@@H](C(=O)NNC(=O)c2ccc[nH]2)CC1=O 298293123 MFIARJPJCYIXOR-ZETCQYMHSA-N 250.258 -0.746 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)NCC(F)(F)F 374005279 FOUNBLNXDDZQHB-SSDOTTSWSA-N 298.265 -0.400 50 20 CBGD C[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CCCO1 584938901 DYANNTIALHOQGR-VIFPVBQESA-N 281.092 -0.244 50 20 CBGD CC(C)[C@@H](O)CNC(=O)c1cccc(B(O)O)c1 584959308 FZNAQWOOJSVRAU-NSHDSACASA-N 251.091 -0.887 50 20 CBGD CO[C@@H]1CCC[C@@H]1CNC(=O)c1cccc(B(O)O)c1 584971337 PQSMEZGRUFSFAH-DGCLKSJQSA-N 277.129 -0.089 50 20 CBGD CC[C@H](C)C[C@@H](CO)NC(=O)c1cccc(B(O)O)c1 585003243 IVHLMXQLXXUMKQ-GWCFXTLKSA-N 279.145 -0.107 50 20 CBGD Cc1nnc(CN(C)C(=O)c2cc(B(O)O)ccc2F)o1 585007733 ZOTSPGQPPKPTHD-UHFFFAOYSA-N 293.063 -0.531 50 20 CBGD C[C@@H](NCc1ccccc1B(O)O)[C@@H](C)N1CCOCC1 585024119 QPJZIJLVTPJSPL-CHWSQXEVSA-N 292.188 -0.435 50 20 CBGD CCn1cccc(CNCc2ccc(B(O)O)cc2)c1=O 585039455 VFAHGGULVZGPSD-UHFFFAOYSA-N 286.140 -0.162 50 20 CBGD OB(O)c1ccc(CN[C@@H]2C[C@@H](O)C23CCC3)c(F)c1 585047366 OCPYQXHSOVHBHD-CHWSQXEVSA-N 279.120 -0.101 50 20 CBGD OB(O)c1ccc(-c2noc(CN3CCOCC3)n2)cc1 585055363 XRXYSBVTHZBGLN-UHFFFAOYSA-N 289.100 -0.751 50 20 CBGD O=S(=O)(c1ccc(Cl)nc1)N1CC[C@@H](B(O)O)C1 585058316 XQPVWUOCBKPQHS-SSDOTTSWSA-N 290.537 -0.028 50 20 CBGD Cc1ccccc1-n1cc(C(=O)NCB(O)O)cn1 585060772 YIMTXCHGPXEYGK-UHFFFAOYSA-N 259.074 -0.077 50 20 CBGD CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCB(O)O)C1 585060832 ZPKUTUFRBULSIL-NSHDSACASA-N 299.180 -0.418 50 20 CBGD CN(C)S(=O)(=O)c1ccccc1N1CC[C@@H](B(O)O)C1 585079301 XLSQVUDXCDYMAK-SNVBAGLBSA-N 298.173 -0.010 50 20 CBGD CN(CC(=O)NNC(=O)c1cccs1)[C@@H]1COC[C@H]1O 708744806 AATLFAVQUUJWJX-RKDXNWHRSA-N 299.352 -0.799 50 20 CBGD O=C(CNc1ccccc1)NNC(=O)[C@H]1C[C@@H]1C(=O)O 739308235 IBHOSXTUUZOCTH-UWVGGRQHSA-N 277.280 -0.033 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN(CCO)C1CC1 744387544 BVKFMSHQZGDZCJ-UHFFFAOYSA-N 257.334 -0.363 50 20 CBGD CCOCC(=O)NNc1nccc(N2CCOCC2)n1 746289986 FJXMNOFCFHDHHM-UHFFFAOYSA-N 281.316 -0.207 50 20 CBGD CC(C)NC(=O)C(=O)NN=Cc1cccc(C(N)=O)c1 755613004 ZZZHSXBYAOPLND-UHFFFAOYSA-N 276.296 -0.240 50 20 CBGD COCC(=O)NNC(=O)Nc1ccnc(C(=O)N(C)C)c1 756647755 RKYGKLPFQQJTHS-UHFFFAOYSA-N 295.299 -0.418 50 20 CBGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)C2CC2)C1 773050045 PFKAPJMZWOMQRX-VIFPVBQESA-N 253.302 -0.198 50 20 CBGD CON=CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 773692828 LUHSDPGZYKRZEX-UHFFFAOYSA-N 266.213 -0.012 50 20 CBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccccc1 779846728 OMEJXDCJJVNTBW-UHFFFAOYSA-N 287.297 -0.648 50 20 CBGD CN(NC(=O)c1cc2nn[nH]c2cc1F)C(N)=O 781963679 ZHTOXEDMSAUUFB-UHFFFAOYSA-N 252.209 -0.248 50 20 CBGD CSC1(C(=O)NNC(=O)C(=O)N2CCCC2)CC1 789751099 GMZZLHZLOMOUQP-UHFFFAOYSA-N 271.342 -0.348 50 20 CBGD C=CCNC(=S)NNC(=O)C1(C(=O)NC)CCC1 798304672 GSXJOCPFOHQFOQ-UHFFFAOYSA-N 270.358 -0.416 50 20 CBGD O=C1C[C@@H]2CC[C@H](C1)N2CC(=O)NNC(=O)C1CC1 809983109 ZXQBKEIVQLWDTG-AOOOYVTPSA-N 265.313 -0.260 50 20 CBGD CCN(CC)S(=O)(=O)CC(=O)NN(C)C1CC1 819647392 NWELHEHKYARZLV-UHFFFAOYSA-N 263.363 -0.217 50 20 CBGD C[C@H](CNS(=O)(=O)CCl)CN1CCN(C)CC1 820792968 NATGDEHIURVTNZ-SNVBAGLBSA-N 283.825 -0.014 50 20 CBGD COC(OC)C(=O)NNC(=S)NCCSC 821492800 XVWJHZIXRMITFR-UHFFFAOYSA-N 267.376 -0.536 50 20 CBGD CC(=O)N[C@@](C)(C(=O)NN(C)[C@H](C)CO)C(C)C 823384041 AGGGSZJDCRFDJO-BXKDBHETSA-N 259.350 -0.119 50 20 CBGD CN(NC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]21)C(N)=O 831519479 NIYIENNJUCTWCJ-HLTSFMKQSA-N 268.317 -0.277 50 20 CBGD O=C(NNC(=O)[C@@H](F)C(F)(F)F)c1ncon1 832825955 MUZMDAMJOHDORK-UWTATZPHSA-N 256.115 -0.269 50 20 CBGD CCc1nn(C)cc1C=NNC(=O)NCC(=O)O 833678070 KMCSCDURKOMKQI-UHFFFAOYSA-N 253.262 -0.300 50 20 CBGD Cc1ccc(-c2n[nH]cc2C=NNC(=O)C(N)=O)o1 839384538 FTTDUPVKUHHXQJ-UHFFFAOYSA-N 261.241 -0.086 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cn1ccc([N+](=O)[O-])n1 843643381 IBNYCSBZQVMQQH-HTQZYQBOSA-N 297.271 -0.636 50 20 CBGD CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843646908 ROFRCUWOYRMIAL-XFWSIPNHSA-N 256.302 -0.016 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](C)[C@@H](CO)C1 856795205 CDJGNLBQVUKHNP-OUAUKWLOSA-N 271.361 -0.117 50 20 CBGD C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)[C@H]1C 858935576 NMJFOWYIJLTHQC-UKKRHICBSA-N 297.355 -0.184 50 20 CBGD COC(=O)[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1C 863880099 NYAFZPIEMGSOEF-CABZTGNLSA-N 291.112 -0.610 50 20 CBGD C[C@@H](O)CN(CC(F)F)C(=O)c1ccc(B(O)O)cc1 863884737 CHWLVQOVLYGZRD-MRVPVSSYSA-N 287.071 -0.546 50 20 CBGD COC(=O)[C@H]1C[C@@H](NCc2ccc(B(O)O)cc2)C1 863891834 DKCZEPJVRIZWTA-KLPPZKSPSA-N 263.102 -0.592 50 20 CBGD O=C(NNS(=O)(=O)N1CCCC1)C1CCOCC1 882805736 SRZXPXVYRVRKDA-UHFFFAOYSA-N 277.346 -0.626 50 20 CBGD C#CCOCCNC(=O)NNC(=O)C1CCOCC1 883565793 BECYGWFJWHESGS-UHFFFAOYSA-N 269.301 -0.607 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)c1cccc(B(O)O)c1 900001844 XVRDWNSLDZOLTL-UHFFFAOYSA-N 295.173 -0.726 50 20 CBGD Cc1ccncc1CC(=O)NNC(=O)CN1CCCC1=O 913733582 NVAJHLKCJUWGIA-UHFFFAOYSA-N 290.323 -0.298 50 20 CBGD COC(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)OC2 917716793 AGYSMJPXOAEAEG-UHFFFAOYSA-N 286.265 -0.094 50 20 CBGD O=C(NCCc1ccccn1)NNC(=O)[C@H]1CCOC1 921208211 JQRZIXOEWQYJRG-JTQLQIEISA-N 278.312 -0.009 50 20 CBGD CC[C@@H]1C(=O)NCCCN1CC(=O)NNC(=O)C(C)(C)C 933215870 CIZOCRXWODMOQH-SNVBAGLBSA-N 298.387 -0.220 50 20 CBGD O=C(NN=Cc1ccc[nH]1)C(=O)NN=Cc1ccc[nH]1 1115813245 XINRBXJEHSZOAN-UHFFFAOYSA-N 272.268 -0.057 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1O 1116717683 UHQBEACLSJTWTQ-UHFFFAOYSA-N 288.263 -0.697 50 20 CBGD Cn1cc(C(=O)NN[C@@H](C(N)=O)c2ccc(C#N)cc2)cn1 1251919694 RAZMIMKFOOMIDL-GFCCVEGCSA-N 298.306 -0.247 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)[C@H]2CCCCO2)C1 1262626398 ODCIZCAPJREVSM-NXEZZACHSA-N 271.317 -0.967 50 20 CBGD COC(=O)N(C)NC(=O)Cn1cc(C2CC2)nn1 1322015674 UFKHIUQUMYSQMM-UHFFFAOYSA-N 253.262 -0.115 50 20 CBGD CN(C)CC[C@H](N)C(=O)NNc1nncc(N)c1Cl 1326907980 SYVAEDAPRAPWDA-LURJTMIESA-N 287.755 -0.566 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCCS1(=O)=O 1329041190 ZZFQUSBGYOMYKU-MRVPVSSYSA-N 286.313 -0.944 50 20 CBGD C[C@@]1(CNC(=O)Cn2nnc(N)n2)C[C@H]1Br 1337299644 MQYDMVODTVRULP-XRGYYRRGSA-N 289.137 -0.455 50 20 CBGD CC1(C#N)CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 1348122480 IEWDESLNSOHOKN-VIFPVBQESA-N 293.327 -0.369 50 20 CBGD Cn1nnc2c1C[C@@H](C(=O)NNC(=O)c1cn[nH]c1)CC2 1348389041 RWZOWEXGXZFWFV-ZETCQYMHSA-N 289.299 -0.896 50 20 CBGD COCc1csc(C(=O)NNC(=O)C(=O)NC2CC2)c1 1351127582 FMYIETBARLTWQG-UHFFFAOYSA-N 297.336 -0.066 50 20 CBGD C[C@@H](N)c1nc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cs1 1576176132 SDRSJPHLCHPIAF-RITPCOANSA-N 297.340 -0.798 50 20 CBGD CC[C@@H]1[C@@H](C(=O)NN(C)C(=O)N2CCNCC2)CCN1C 1578228532 AIPOZXGLWCTOHE-NWDGAFQWSA-N 297.403 -0.295 50 20 CBGD CNC(=O)Nc1ccc(C(=O)NNC(=O)[C@H]2CCN2)cc1 1578557709 NCUKWLZDFNLBIZ-SNVBAGLBSA-N 291.311 -0.439 50 20 CBGD Cc1c(C(F)(F)F)n[nH]c1C(=O)NNC(=O)[C@@H]1CCN1 1579528713 QOKXFFVOPONJBB-YFKPBYRVSA-N 291.233 -0.140 50 20 CBGD CC(=O)NNC(=O)c1nc(O)c(-c2nn[nH]n2)cc1C 1588869978 NYLFISDCUFJRJE-UHFFFAOYSA-N 277.244 -0.943 50 20 CBGD COCC#CC(=O)NNc1cccc(-c2nn[nH]n2)c1 1591361102 JFFIWAQZUVEXAA-UHFFFAOYSA-N 272.268 -0.040 50 20 CBGD O=C(O)C1=NO[C@@H](C(=O)NNc2cccnn2)C1 1594890740 SVHBSTHSQWXIFS-ZCFIWIBFSA-N 251.202 -0.851 50 20 CBGD CCN(CCO)NC(=O)COCc1ocnc1C(=O)O 1596340925 UCABYLKWUJNJKV-UHFFFAOYSA-N 287.272 -0.765 50 20 CBGD Cc1ccc(CCNC(=O)NNC(=O)C(=O)O)o1 1600408049 PECWDABXNGSOQI-UHFFFAOYSA-N 255.230 -0.454 50 20 CBGD Cn1cccc1C(=O)NNC(=O)C1(C(=O)O)CC1 1600978836 RXVGVFIFRUZLHB-UHFFFAOYSA-N 251.242 -0.349 50 20 CBGD O=C(NC[C@H]1C[C@H]1C(=O)O)NNC(=O)c1cccc(F)n1 1601528200 SUQMKNIZZJWOAU-RNFRBKRXSA-N 296.258 -0.115 50 20 CBGD CC[C@@H](C)[C@@H](NNC(=O)c1nnn(C)c1C)C(=O)O 1604946234 NZIQXVHYDPFRKH-HTRCEHHLSA-N 269.305 -0.143 50 20 CBGD O=C(O)CCSCCNC(=O)c1ccc(B(O)O)cc1 1608733266 QLJAIZUFKJUNGH-UHFFFAOYSA-N 297.141 -0.696 50 20 CBGD CC(C)NC(=S)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1609100400 JVEJMWGINFDDLS-UHFFFAOYSA-N 294.344 -0.288 50 20 CBGD NC(=O)CN1CCC(NS(=O)(=O)CCCCl)CC1 37843417 OAJPMMSHYCWKID-UHFFFAOYSA-N 297.808 -0.516 50 20 CBGD COCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 41781286 DRAQGSRNTIWFPV-SNVBAGLBSA-N 266.253 -0.380 50 20 CBGD CNC(=O)NNC(=O)CCS(=O)(=O)C1CCCC1 48950484 NOTLAFLZKDMRDV-UHFFFAOYSA-N 277.346 -0.306 50 20 CBGD CC1CCN(CC(=O)NNC(=O)C(=O)NC2CC2)CC1 125947289 ONQVSCDKPNOERB-UHFFFAOYSA-N 282.344 -0.856 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1ccsc1 171068829 FCNLKIFMIJTOLJ-UHFFFAOYSA-N 269.326 -0.037 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCCS1 266595421 UFBOMLDVGAPSAQ-SSDOTTSWSA-N 259.331 -0.446 50 20 CBGD CC(C)OCCC(=O)NNC(=O)CNC(=O)c1ccco1 299708092 YNDDVBKDUPCIQW-UHFFFAOYSA-N 297.311 -0.028 50 20 CBGD CC1CCN(C(=O)C(=O)Nc2cccc(B(O)O)c2)CC1 584913641 HOHKQBMJUAERLM-UHFFFAOYSA-N 290.128 -0.437 50 20 CBGD CCC[C@](C)(O)CNC(=O)c1ccc(B(O)O)cc1 584953974 IDKXXKIMUISVMA-ZDUSSCGKSA-N 265.118 -0.353 50 20 CBGD C[C@H]1[C@H](NC(=O)c2ccc(B(O)O)cc2)CCCN1C 584972738 GBUBYWURLHSJCS-GXFFZTMASA-N 276.145 -0.421 50 20 CBGD C[C@H](F)CCNC(=O)c1ccc(B(O)O)c(F)c1 584992802 ORRZFIMMAYLOJF-ZETCQYMHSA-N 257.045 -0.017 50 20 CBGD CC#CC[C@H](CO)NC(=O)c1ccc(B(O)O)c(F)c1 585002634 BHWLNJSORJDFME-SNVBAGLBSA-N 279.076 -0.990 50 20 CBGD O=C(NC[C@@H](CO)CC1CC1)c1cccc(B(O)O)c1 585006239 SPPORTFUPRTAGA-NSHDSACASA-N 277.129 -0.495 50 20 CBGD CN(CC1(C)COC1)C(=O)c1ccc(B(O)O)c(F)c1 585010883 ZLWDCNMFDBKDKQ-UHFFFAOYSA-N 281.092 -0.386 50 20 CBGD CC(C)C[C@H](CO)NCc1ccccc1B(O)O 585018062 GLLCOCFRBOAFMH-GFCCVEGCSA-N 251.135 -0.137 50 20 CBGD C[C@@H](CNCc1ccc(B(O)O)cc1F)[S@](C)=O 585034431 KXMSRBQPURWIRV-ASCAZGACSA-N 273.138 -0.638 50 20 CBGD O=C1C[C@@H](NCc2ccc(B(O)O)cc2F)CN1C1CC1 585034725 SNGJKUHZLAMRMI-LLVKDONJSA-N 292.119 -0.642 50 20 CBGD C[C@H]1NC(=O)CC[C@@H]1CNCc1ccc(B(O)O)cc1F 585046787 WEDUTBPKUXKOGR-NXEZZACHSA-N 294.135 -0.490 50 20 CBGD O=S(=O)(NCB(O)O)c1cnn(-c2ccccc2F)c1 585056569 XREJSLLSXZIVPX-UHFFFAOYSA-N 299.092 -0.698 50 20 CBGD O=C(NCB(O)O)c1cc(F)ccc1N1CCOCC1 585061419 RSLDJCMHSUAYLO-UHFFFAOYSA-N 282.080 -0.596 50 20 CBGD CO[C@@H]1CCCCC1=NNC(=O)[C@@H](C)NS(C)(=O)=O 728434441 LSYCMGGXFYQQNF-PSASIEDQSA-N 291.373 -0.015 50 20 CBGD O=C(NCCN1C(=O)CCC1=O)NNC(=O)C1CCC1 733803529 ZIPYKGGPDRCTIK-UHFFFAOYSA-N 282.300 -0.734 50 20 CBGD COc1ncc(C(=O)NNC(=O)NCC2CC2)cn1 733953462 LMHQRDHLMWPUGW-UHFFFAOYSA-N 265.273 -0.161 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@H]1COCCO1)C1CC1 745172999 BFAPQEJHNXZUCG-VXNVDRBHSA-N 273.358 -0.304 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H](C)[C@@H]1CCOC1 745862600 YOPHNUHKRYQBNW-DTWKUNHWSA-N 259.306 -0.222 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2ccnnc2C)n[nH]1 753297417 DOERDJGFNJKOQC-UHFFFAOYSA-N 260.257 -0.109 50 20 CBGD O=C(CO)NNC(=O)Nc1cnn(Cc2ccccn2)c1 756740528 YWYVZYCTRAVTHF-UHFFFAOYSA-N 290.283 -0.529 50 20 CBGD COCC(=O)NN[C@H](Cc1ccccc1)C(N)=O 758146431 LCACIRRHLNVEDZ-SNVBAGLBSA-N 251.286 -0.650 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CN(C)C(=O)OC 772019627 IBDOLBXMDMGZHX-SSDOTTSWSA-N 289.288 -0.826 50 20 CBGD Cc1cccc(OCC(=O)NNC(=O)c2nc[nH]n2)c1 772707100 OKLCQFSTJCATQV-UHFFFAOYSA-N 275.268 -0.047 50 20 CBGD CO[C@H](C(=O)NNC(=O)c1ccc[nH]1)c1cnn(C)c1 798844001 UVGVJQIKDLTRTR-JTQLQIEISA-N 277.284 -0.103 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H](OC)c1cnn(C)c1 798930949 DRFKLBOINNEOHT-JTQLQIEISA-N 299.331 -0.526 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1cccc2c1OCO2 800834207 QMGGORGHYLITPS-UHFFFAOYSA-N 287.297 -0.120 50 20 CBGD CNC(=O)NNS(=O)(=O)C[C@@H](CC(C)C)OC 817355198 MKYYXLMKAJTPAR-MRVPVSSYSA-N 267.351 -0.189 50 20 CBGD CCN(CCO)NC(=O)CNC(=O)c1ccoc1C 823873533 CPHWCZCXNDITEG-UHFFFAOYSA-N 269.301 -0.337 50 20 CBGD Cc1nc2ccnn2cc1C(=O)NN(C)[C@H](C)CO 823917285 GZSBJZHDZDPQJR-MRVPVSSYSA-N 263.301 -0.005 50 20 CBGD CC1CCN(C(=O)C(=O)NN(C)[C@H](C)CO)CC1 823934616 IKUUILLSSIOJPU-SNVBAGLBSA-N 257.334 -0.411 50 20 CBGD C#CCN1CCC(C(=O)NN(C)[C@H](C)CO)CC1 823965656 REIOIRAXUJXIDG-LLVKDONJSA-N 253.346 -0.325 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cccc(F)c1C(=O)O 831000698 LEWQSJYSCADQCV-UHFFFAOYSA-N 291.260 -0.354 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)[C@@H]2CC(=O)N2)n1 831982832 HBQKCXNXSFRDBH-VKHMYHEASA-N 256.653 -0.956 50 20 CBGD CC(C)CC(=O)NNC(=O)CN(C)CC(=O)NC(C)C 849208535 AXBQESVGCJXOCV-UHFFFAOYSA-N 286.376 -0.364 50 20 CBGD CO[C@H](C=NNC(=O)[C@@H](C)NS(C)(=O)=O)C1CC1 853303915 TXEXGRIYJTXISV-VXNVDRBHSA-N 277.346 -0.549 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCNC1=O 854388422 JXNUDWZYGFHCHC-QMMMGPOBSA-N 287.316 -0.941 50 20 CBGD C[C@H](CC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CC1 862454100 QIUWPDJWUHIWKL-VXNVDRBHSA-N 253.302 -0.151 50 20 CBGD O=C(Cc1ccc(F)c(F)c1)NNC(=O)[C@H]1CCC(=O)N1 862456449 PUAYJCDBYWHNPM-SNVBAGLBSA-N 297.261 -0.067 50 20 CBGD COC[C@H](C)[C@@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862463170 ZHIXUDHKQLJPPH-DJLDLDEBSA-N 271.317 -0.669 50 20 CBGD C/C(=C/c1ccco1)C(=O)NNC(=O)CS(C)(=O)=O 863466831 COKBAIVZMXIKFD-VURMDHGXSA-N 286.309 -0.125 50 20 CBGD COC(=O)[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 863872660 WGKCDPXDWFHEIH-NSHDSACASA-N 291.112 -0.608 50 20 CBGD O=C(NCCOCC(F)F)c1cccc(B(O)O)c1 863880230 RNJRTWRFRKIZLX-UHFFFAOYSA-N 273.044 -0.622 50 20 CBGD CO[C@H](CNC(=O)c1cccc(B(O)O)c1)C(F)(F)F 865850986 GBHGKOAFNLAHCM-SECBINFHSA-N 291.034 -0.327 50 20 CBGD O=C(/C=C/CN1CCOCC1)NNC(=O)CC1CC1 868590389 OIIWTUBIRDXQKT-OWOJBTEDSA-N 267.329 -0.178 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CCO2)CC1 868935904 GOZNEMUTDNWDGM-UHFFFAOYSA-N 275.113 -0.239 50 20 CBGD CC[C@]1(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CCNC1=O 869069287 ZTOAOCUJHFDIKT-ZDMBXUJBSA-N 283.328 -0.525 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@@]1(C)CCNC1=O 874450126 PHWIRUCPDWMGBB-AWEZNQCLSA-N 291.307 -0.018 50 20 CBGD COc1cccnc1C(=O)NNC(=O)CN(C)C 878681298 MGXABEIIFALLLS-UHFFFAOYSA-N 252.274 -0.587 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)N2CCOC[C@H]2CCO)cn1 889880159 GKTDQYWABJHRLC-MVXISAMASA-N 290.323 -0.063 50 20 CBGD CC[C@H](O)[C@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 900455469 XCTOVTXNKGCZIA-IUCAKERBSA-N 271.317 -0.837 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21 913433437 IEZLBEACDVBTRL-AVPPRXQKSA-N 270.285 -0.978 50 20 CBGD O=C(NNC(=O)[C@]12CCC(=O)N1CCS2)NC1CC1 920822336 LFYDSXXTNKQVDA-LLVKDONJSA-N 284.341 -0.455 50 20 CBGD CN(C)[C@H]1[C@@H]2CN(CC(=O)NNC(=O)C(C)(C)C)C[C@@H]21 931279392 BXIQLCIAHOUMRD-IAZYJMLFSA-N 282.388 -0.328 50 20 CBGD C#CC1(O)CN(CC(=O)NNC(=O)c2ccc(C)cc2)C1 934445738 CSZZESHUVQJBCB-UHFFFAOYSA-N 287.319 -0.564 50 20 CBGD COc1cc(C=NNC(=O)C(N)=O)ccc1OC(C)=O 1115813006 IHCSBLSKNSUEPF-UHFFFAOYSA-N 279.252 -0.444 50 20 CBGD Cn1nncc1S(=O)(=O)NNC(=O)C1CCCC1 1118954014 MLLXDGLCWAFLMA-UHFFFAOYSA-N 273.318 -0.685 50 20 CBGD COCCCNC(=O)NNC(=O)c1ncoc1C 1318160726 LJHOJDSIYRPWJD-UHFFFAOYSA-N 256.262 -0.036 50 20 CBGD CCNC(=O)CCC(=O)NNC(=O)c1cnn(C)c1 1318621184 KJLFGEJPHVBISV-UHFFFAOYSA-N 267.289 -0.903 50 20 CBGD Cc1ccc(C(=O)NCC(=O)NN(C)C(N)=O)s1 1320143379 RMJHDMLPZSCJPE-UHFFFAOYSA-N 270.314 -0.172 50 20 CBGD Cn1nc(C(=O)NNC(=O)N=c2cc[nH]cc2)ccc1=O 1321450162 XUOGHRUFYQYRCS-UHFFFAOYSA-N 288.267 -0.936 50 20 CBGD COC(=O)C(=O)NN=Cc1n[nH]c2cc(C(=O)O)ccc12 1323197801 SNQNDKHZSDVBRY-UHFFFAOYSA-N 290.235 -0.116 50 20 CBGD CCc1cc(NC(=O)C(=O)NNC(=O)CCO)ccc1F 1323242338 CGACWQZMPOKFQH-UHFFFAOYSA-N 297.286 -0.144 50 20 CBGD CCn1cc(C(=O)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cn1 1327149004 AFWOSCSWZDTCTD-PSASIEDQSA-N 294.311 -0.342 50 20 CBGD C[C@@H](NNC(=O)C[C@H]1CC(=O)NC1=O)C(F)(F)F 1333486082 YSZXPLIFAVFLLN-RFZPGFLSSA-N 267.207 -0.389 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)nc1 1338712379 UYPWAOWLVYXBKJ-UHFFFAOYSA-N 287.279 -0.663 50 20 CBGD CS/C=C/C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1340035209 OUFGVNLRGZOGNW-XBBYQOBLSA-N 278.355 -0.555 50 20 CBGD C[S@](=O)CCCNC(=O)NNc1cccnn1 1341913210 FHFRNNKPJMNWDW-KRWDZBQOSA-N 257.319 -0.129 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(O)n1 1349454657 CLSBDPSJJWWLCN-SFYZADRCSA-N 265.269 -0.027 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1C[C@H]1N 1578071760 NPWYYFHXDBKWPC-JGVFFNPUSA-N 259.306 -0.730 50 20 CBGD C[C@@H](O)[C@H](N)C(=O)NNc1ccc(C(F)(F)F)nn1 1579420315 ZKKAAROLGAXLDF-FBCQKBJTSA-N 279.222 -0.353 50 20 CBGD COC(=O)C(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1F 1591225937 FTCJBXYWXOAWRH-UHFFFAOYSA-N 292.230 -0.371 50 20 CBGD C[C@H]1CCCN([C@H](C)CNC(=O)NNC(=O)C(=O)O)C1 1594383693 PJLWFYOMDKODPA-DTWKUNHWSA-N 286.332 -0.478 50 20 CBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)Cc1ccncc1 1594755305 GHPNRCIJAUMOEP-SECBINFHSA-N 265.269 -0.118 50 20 CBGD COC(=O)CN(CC(=O)O)S(=O)(=O)CCCCl 1598862369 DWGJEYDGJHYMAT-UHFFFAOYSA-N 287.721 -0.495 50 20 CBGD CCC[C@@](C)(NC(=O)c1ccc(B(O)O)cc1)C(=O)O 1605199313 ZVUHGXHRVICXLE-CYBMUJFWSA-N 279.101 -0.260 50 20 CBGD CSCCCNC(=S)NNC(=O)C(=O)O 1607398367 RVOWKYOGOIRFDN-UHFFFAOYSA-N 251.333 -0.681 50 20 CBGD O=C(NCCCO)C1CCN(C(=O)CCl)CC1 37654303 YVERGOYWDCSDTG-UHFFFAOYSA-N 262.737 -0.038 50 20 CBGD CCCCNC(=O)NNC(=O)CNC(=O)c1ccncc1 64427384 PBRRCGKOTKLUIL-UHFFFAOYSA-N 293.327 -0.058 50 20 CBGD NC(=O)c1csc(C(=O)NNC(=O)NC2CC2)c1 143204482 GBDPWGUZZWHCKS-UHFFFAOYSA-N 268.298 -0.047 50 20 CBGD COCCC(=O)NNC(=O)CNC(=O)c1cccs1 263862221 IPOYEKAYBVRXNG-UHFFFAOYSA-N 285.325 -0.338 50 20 CBGD COC(=O)NC(C)(C)C(=O)NNC(=O)c1ccc[nH]1 264319510 XGACLTJKOSMPEA-UHFFFAOYSA-N 268.273 -0.090 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@H]1CCc2cn[nH]c2C1 266251654 AYNMLKYGSOUYIL-VIFPVBQESA-N 293.327 -0.412 50 20 CBGD COc1cc(C)nc(NNC(=O)N[C@@H]2CCN(C)C2=O)n1 266922245 COIAHQJFWUFJRV-MRVPVSSYSA-N 294.315 -0.350 50 20 CBGD CCOC(=O)NNC(=O)CC1(CS(C)(=O)=O)CC1 492945289 OVJHOKFPCMRWSN-UHFFFAOYSA-N 278.330 -0.021 50 20 CBGD CC(C)N(C)CCCNC(=O)c1ccc(B(O)O)c(F)c1 584928633 KGFKUPRHSJPPIT-UHFFFAOYSA-N 296.151 -0.034 50 20 CBGD CO[C@@H](C)CCNC(=O)c1ccc(B(O)O)c(F)c1 584939891 MJTLNJJUTPKXKC-QMMMGPOBSA-N 269.081 -0.340 50 20 CBGD C[C@@](O)(CNC(=O)c1ccc(B(O)O)cc1)C(F)(F)F 584968278 VSPOKRMICPFOIS-SNVBAGLBSA-N 291.034 -0.591 50 20 CBGD CC[C@@H](C)[C@H](CO)NC(=O)c1cc(B(O)O)ccc1F 584969665 OYWCRCKNMRSYIJ-PELKAZGASA-N 283.108 -0.358 50 20 CBGD C[C@H]1[C@@H](C)N(C(=O)c2cccc(B(O)O)c2)CC[S@@]1=O 584985031 GERUICZRRVANMJ-ARNPGYACSA-N 295.169 -0.652 50 20 CBGD C[C@@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)CS1 585002251 RCIRRRLXASEQQT-KCJUWKMLSA-N 265.143 -0.010 50 20 CBGD O=S1(=O)CCCC[C@H]1CNCc1ccc(B(O)O)o1 585035490 UVRAZLQRACANIB-JTQLQIEISA-N 287.146 -0.984 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc(Br)s1 585054686 PZILYRMNGHIUPU-UHFFFAOYSA-N 299.964 -0.199 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)C(=O)NC1CC1)N(C)C1CC1 729618110 ZZVCRAPNEKSTRD-QMMMGPOBSA-N 297.359 -0.922 50 20 CBGD O=C(CN1CCC(C2OCCO2)CC1)NNC(=O)C1CC1 733194940 WZDYOKAACDOSEC-UHFFFAOYSA-N 297.355 -0.371 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ncccn1 743329948 SPBXUNFKDRNRHQ-UHFFFAOYSA-N 289.251 -0.739 50 20 CBGD O=C(C[C@@H]1NC(=O)NC1=O)NNc1cccc([N+](=O)[O-])c1 764998321 UDBOHGQJXMNUJD-QMMMGPOBSA-N 293.239 -0.364 50 20 CBGD CC(C)(C(N)=O)C(=O)NNC(=O)c1cccnc1 767404147 WOLZASAQJQNQHW-UHFFFAOYSA-N 250.258 -0.646 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNc1ccc(C(N)=O)nn1 771393359 ZVOKRQCFFBVLLE-NKWVEPMBSA-N 265.273 -0.556 50 20 CBGD CCO[C@@H](C)C(=O)NNC(=O)N1CCN(C)CC1 788169149 JHVRGSFBRBKYFT-VIFPVBQESA-N 258.322 -0.600 50 20 CBGD CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)C(=O)NC(C)C 794820920 PJDMBDGHEXDKJF-JTQLQIEISA-N 298.343 -0.941 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@](C)(C(N)=O)C1 796579074 CBHDCJDEYCDWJD-PELKAZGASA-N 270.333 -0.870 50 20 CBGD C=CCNC(=S)NNC(=O)C(C)(C)S(C)(=O)=O 798305084 IFSMUZAAZFHUJE-UHFFFAOYSA-N 279.387 -0.509 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccnc(OC)c1 807014720 JQZQOKSZJAJVOA-UHFFFAOYSA-N 295.299 -0.279 50 20 CBGD CC(=O)CCC(=O)NNC(=O)N1CCN(C)CC1 808033494 LIZOYUJJBROPEV-UHFFFAOYSA-N 256.306 -0.656 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@H](CC(N)=O)C1 808773419 LSFMSEZROBOIDX-GHMZBOCLSA-N 298.387 -0.234 50 20 CBGD Cn1cncc1C(=O)NNC(=O)COc1ccccc1O 809672477 RXEGUOZXYDBZOM-UHFFFAOYSA-N 290.279 -0.034 50 20 CBGD Cc1cc(C#N)cnc1C(=O)NNC(=O)N1CCOCC1 815146932 MLOGFINLRMYISV-UHFFFAOYSA-N 289.295 -0.052 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F 823901710 DTCDKOYPXYLZMQ-GJMOJQLCSA-N 297.277 -0.355 50 20 CBGD CC(C)C#CC(=O)NNC(=O)C(=O)N1CCCC1 824877269 LPRPZLUASWJFML-UHFFFAOYSA-N 251.286 -0.584 50 20 CBGD COc1ncc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cn1 843653119 WDQIMSPANXCHLR-IONNQARKSA-N 280.284 -0.329 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)NC(C)C 845323978 UNWCMCYVPXQCNN-UHFFFAOYSA-N 258.322 -0.113 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1cncc(O)c1 848386241 KWMHQXYCFFJVPA-KWQFWETISA-N 279.296 -0.098 50 20 CBGD CCOC(=O)NNS(=O)(=O)N1CCC(OC)CC1 849304397 RGWHSIFLNKJXTB-UHFFFAOYSA-N 281.334 -0.407 50 20 CBGD Cn1nccc1C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 853388626 OIQWRTIYQPGPNS-NEPJUHHUSA-N 277.328 -0.267 50 20 CBGD CC1CC(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858286747 RVFAJEOTWJIJLA-RRQHEKLDSA-N 254.290 -0.606 50 20 CBGD Cc1ccoc1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858483660 VSQUFYVNICSTPZ-QMMMGPOBSA-N 280.284 -0.303 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc(C3CC3)[nH]n2)N1 862450847 CHLKBRYDWIUNSY-SSDOTTSWSA-N 277.284 -0.673 50 20 CBGD Cc1cc(=NNC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)cc[nH]1 862514545 QDIWITOVGHPRII-CABZTGNLSA-N 292.339 -0.469 50 20 CBGD CS(=O)(=O)CC(=O)NN=C1CCN2CCC[C@@H]12 863187748 RXRVVGUHFPVEAY-VIFPVBQESA-N 259.331 -0.629 50 20 CBGD COC(=O)[C@@H](C)CNC(=O)c1cc(B(O)O)ccc1F 863872018 JVFYPOCILIRECW-ZETCQYMHSA-N 283.064 -0.956 50 20 CBGD CC(=O)C[C@H]1COCCN1C(=O)c1cccc(B(O)O)c1 863879041 UHZJBITWHJCYHU-ZDUSSCGKSA-N 291.112 -0.814 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2CC(=O)N(C3CC3)C2)nc1O 886642544 RSLLWWULSWBINP-ZETCQYMHSA-N 292.299 -0.660 50 20 CBGD O=C(O)[C@@H]1[C@H]2CN(S(=O)(=O)CBr)C[C@H]21 899938668 VZEFIJMSCOXHAU-FMCRUOTFSA-N 284.131 -0.069 50 20 CBGD CC[C@@H](C(=O)NNC(=O)CN1CCCC1=O)N(C)C 913730188 KRZUUNJEROYMHY-VIFPVBQESA-N 270.333 -0.904 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@@H](C2OCCO2)C1 932003705 UNXBLXZVANXMIF-SNVBAGLBSA-N 299.371 -0.125 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)CN1C(=O)CCC1=O 1115816151 DTUPESBXWXMFRB-UHFFFAOYSA-N 286.357 -0.571 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)NC[C@@H]1COCCO1 1116195847 PTMBVSZGJIBVTJ-LLVKDONJSA-N 294.311 -0.630 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(F)n1 1117067633 COFXJIKFGDQWCN-UHFFFAOYSA-N 284.247 -0.657 50 20 CBGD C[C@H](NNC(=O)C1(S(N)(=O)=O)CC1)C(F)(F)F 1118883030 XTPFCLQYVCWXPR-BYPYZUCNSA-N 275.252 -0.621 50 20 CBGD COCC#CC(=O)NNC(=O)c1ccc2c(c1)OCCO2 1261663979 VMBWTCUXIVBDPO-UHFFFAOYSA-N 290.275 -0.131 50 20 CBGD C[C@H](C(=O)NNC(=O)N1CCOCC1)n1ccnc1 1318075821 IESQSKXYDFCDFH-SECBINFHSA-N 267.289 -0.483 50 20 CBGD N#CC1=CCN(C(=O)Cn2ccc(O)nc2=O)CC1 1319658825 MAELVLSOTQIDCC-UHFFFAOYSA-N 260.253 -0.369 50 20 CBGD NC(=O)c1ccc(C(=O)NN=c2cc[nH]cc2)cn1 1320052553 FBPCJEUGNDTGFA-UHFFFAOYSA-N 257.253 -0.246 50 20 CBGD CO[C@H]1C[C@H](NC(=O)NNC(=O)c2cn[nH]c2)C1 1328805104 ZJMWOJFNOITDSF-ZKCHVHJHSA-N 253.262 -0.469 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2c[nH]cc(Cl)c2=O)N1 1331807333 QWCUBGUFEURELD-SSDOTTSWSA-N 298.686 -0.932 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCCc2c[nH]nc21 1333550658 WVSXYNVZGJRTEL-ZETCQYMHSA-N 281.272 -0.710 50 20 CBGD CN(NC(=O)c1cc(S(N)(=O)=O)ccc1F)C(N)=O 1339811571 QQFGNWUAGFAKIR-UHFFFAOYSA-N 290.276 -0.872 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnn2c1NCCC2 1347704144 JRNGCKNGKKEQPT-DTWKUNHWSA-N 293.327 -0.115 50 20 CBGD Nc1cnnc(NNC(=O)[C@@H]2[C@H]3CNC[C@H]32)c1Cl 1349417121 CDQGTJQQGAVOGG-KCQQBQQISA-N 268.708 -0.379 50 20 CBGD Cn1ccnc1CCC(=O)NNC(=O)CN1CCCC1=O 1521768167 RJTQRVJPVHCZCO-UHFFFAOYSA-N 293.327 -0.878 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@]2(C)CCNC2)n[nH]1 1574134057 IGXVWILROFBLIH-LBPRGKRZSA-N 265.317 -0.592 50 20 CBGD CC(C)(C)C(=O)NNC(=O)[C@@]12CNC[C@@H]1CCO2 1575106677 RWUOQUTUDICXNK-QPUJVOFHSA-N 255.318 -0.442 50 20 CBGD Cc1cccc(C(=O)NNC(=O)NC[C@H]2CCN2)n1 1579750216 IYXNYIRJOXSXHM-SECBINFHSA-N 263.301 -0.304 50 20 CBGD C[C@]1(C(=O)NNC(=O)c2cnc(C(=O)O)cn2)CCCO1 1589181759 UFHBGHYXFFMWCI-GFCCVEGCSA-N 294.267 -0.495 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@]1(C(=O)O)CCCO1 1589650047 CSMWRYJYVDIHMQ-LLVKDONJSA-N 273.289 -0.249 50 20 CBGD C[C@H]1Oc2ccccc2[C@H]1NC(=O)NNC(=O)C(=O)O 1604836727 ICTCWXFBGHIAGE-MUWHJKNJSA-N 279.252 -0.076 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccc(-c2nn[nH]n2)cc1 1604892644 RTGCDEZHUUSLKP-UHFFFAOYSA-N 291.340 -0.052 50 20 CBGD O=C(NCCc1ccc(Cl)nc1)NNC(=O)C(=O)O 1610694364 JCVNBQIGBRVJQK-UHFFFAOYSA-N 286.675 -0.308 50 20 CBGD CCOC(=O)NNC(=O)c1ccc(OCC(N)=O)cc1 21772462 AJFNMMLFEPPZFS-UHFFFAOYSA-N 281.268 -0.058 50 20 CBGD CCc1nn(C)c(CC)c1CC(=O)NNC(=O)CO 191223697 ZPCFULSPPYDDQP-UHFFFAOYSA-N 268.317 -0.773 50 20 CBGD CCOC(=O)/C(C#N)=C/NC[C@H]1CN(C)CCN1C 264785429 RKVRTMNXOJBOCZ-OBIHZWKSSA-N 266.345 -0.208 50 20 CBGD COC(=O)NNC(=O)CC(C)CC(=O)NNC(=O)OC 278961897 ZQRLXHQUGWFYNU-UHFFFAOYSA-N 290.276 -0.823 50 20 CBGD O=C1CCCC[C@H](C(=O)NNC(=O)[C@@H]2CCCO2)N1 294730552 UESBEFZMASYFPR-BDAKNGLRSA-N 269.301 -0.628 50 20 CBGD C#CCO[C@H](C)C(=O)NNc1nccnc1OC 294858607 BWADBUUQYDMITN-MRVPVSSYSA-N 250.258 -0.033 50 20 CBGD N#C/C(=C\c1ccc(O)cc1)C(=O)NCCOCC(N)=O 491173905 FVTADGIPPBVGGS-YRNVUSSQSA-N 289.291 -0.083 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 495825508 QRDPBZMCLJUETH-SSDOTTSWSA-N 295.361 -0.320 50 20 CBGD CCN1CC[C@@H](NC(=O)c2ccc(B(O)O)cc2)C[C@@H]1C 584952396 UDMNXTZABYRYNN-SMDDNHRTSA-N 290.172 -0.031 50 20 CBGD C[C@@H]1CCN(CCNC(=O)c2ccc(B(O)O)c(F)c2)C1 584955369 QWPOOGHKRVHRFP-SNVBAGLBSA-N 294.135 -0.423 50 20 CBGD CCCCCN(CCO)C(=O)c1ccc(B(O)O)cc1 584967520 WEVCWQFKPYPTNA-UHFFFAOYSA-N 279.145 -0.009 50 20 CBGD CC(C)(C)[C@H](CCO)NC(=O)c1cccc(B(O)O)c1 584969114 BGLLLNDPGBBHCU-LBPRGKRZSA-N 279.145 -0.107 50 20 CBGD CC(=O)N1CC[C@@H](NCc2cccc(B(O)O)c2)C1 585030969 NCCAYFNXZQAEJU-CYBMUJFWSA-N 262.118 -0.923 50 20 CBGD CCc1nc([C@H](C)NCc2cccc(B(O)O)c2)n[nH]1 585034719 NACDDMSVHNBBGE-VIFPVBQESA-N 274.133 -0.102 50 20 CBGD OB(O)c1ccc(CNCC[C@@H](O)C(F)(F)F)o1 585040530 MLCOAENQQRTHKE-SSDOTTSWSA-N 267.012 -0.638 50 20 CBGD C[S@@](=O)C1(CNCc2ccc(B(O)O)cc2F)CC1 585041706 GAVHNRUNNMRKNX-LJQANCHMSA-N 285.149 -0.494 50 20 CBGD CO[C@H]1COCC[C@H]1CNCc1cccc(B(O)O)c1 585044105 YWSJZQXLCLJKJG-JSGCOSHPSA-N 279.145 -0.493 50 20 CBGD CCCN1C[C@H](NCc2ccccc2B(O)O)CC1=O 585048973 YZVTWBFBIUVXDO-GFCCVEGCSA-N 276.145 -0.533 50 20 CBGD COc1cc(C(=O)NCB(O)O)cc(OC)c1C 585055681 CUSLBTZRUOOGJE-UHFFFAOYSA-N 253.063 -0.246 50 20 CBGD O=S(=O)(c1cccc2c1OCO2)N1CC[C@H](B(O)O)C1 585056819 XSLPCKNUVNGTNX-QMMMGPOBSA-N 299.113 -0.347 50 20 CBGD Cc1ncc(S(=O)(=O)N2CC[C@H](B(O)O)C2)s1 585057842 LTUKOMIFVMRNED-ZETCQYMHSA-N 276.148 -0.311 50 20 CBGD C[C@@H]1C(=O)Nc2cc(C(=O)NCB(O)O)ccc2N1C 585060034 KEPIHPZDRBPXRM-SSDOTTSWSA-N 277.089 -0.795 50 20 CBGD CC(C)Cc1cc(C(=O)NCB(O)O)cc(O)n1 585063433 ZAZIUHXFRLUZDW-UHFFFAOYSA-N 252.079 -0.273 50 20 CBGD CC(C)CCC(=O)NNC(=O)CS(C)(=O)=O 727348549 UVGJZZKVDGGDQN-UHFFFAOYSA-N 250.320 -0.385 50 20 CBGD CC(C)[C@@H](NS(C)(=O)=O)C(=O)NNc1ncccn1 733252865 BRXIIQIFOGDODA-MRVPVSSYSA-N 287.345 -0.507 50 20 CBGD CN1CCN(CC(=O)NNc2ccccn2)CC1=O 740880898 CLJZPSXYFGLXGL-UHFFFAOYSA-N 263.301 -0.701 50 20 CBGD CCC(=O)NNS(=O)(=O)c1c[nH]c(C(=O)O)c1 751267822 ZRKPFTGTQMCFIY-UHFFFAOYSA-N 261.259 -0.568 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H](C)NC(N)=O)o1 752522628 BUDXEIFUNQHXRN-LURJTMIESA-N 254.246 -0.594 50 20 CBGD C[C@@](O)(CC(=O)NNC(=O)N1CCOCC1)C1CC1 755773428 GKBDJJTXLZOCHL-GFCCVEGCSA-N 271.317 -0.390 50 20 CBGD CCC[C@H](C)CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758047100 VMSADBLDJCWFIB-IUCAKERBSA-N 293.389 -0.102 50 20 CBGD N#Cc1cc(C(=O)NNC(=O)CO)ccc1Cl 758542255 MCAXEBWYPPTEEJ-UHFFFAOYSA-N 253.645 -0.035 50 20 CBGD CCCCNC(=O)NNC(=O)[C@]1(O)CCSC1 765679279 UNKBOSYUBGZLDK-JTQLQIEISA-N 261.347 -0.015 50 20 CBGD O=C(CO)NNC(=O)c1cccc(OC[C@@H]2CCCO2)c1 777782974 ZOEVCFMFJBVAFS-LBPRGKRZSA-N 294.307 -0.002 50 20 CBGD O=C(O)CSCC(=O)NNC(=O)c1ccc(O)cc1 814325481 RNKWXIHXOZWQPK-UHFFFAOYSA-N 284.293 -0.029 50 20 CBGD O=C(CCN1CCOCC1)NNC(=O)CC1CC1 819117986 KWSQGVBRHDXZMP-UHFFFAOYSA-N 255.318 -0.344 50 20 CBGD CNC(=O)NNC(=O)C[S@](=O)c1cccc(OC)c1 819154544 JASZFXFMRUCCRK-IBGZPJMESA-N 285.325 -0.237 50 20 CBGD C[C@H](CO)N(C)NC(=O)CCC(=O)c1cnn(C)c1 823927838 HGVXQYZUJUUCQW-SECBINFHSA-N 268.317 -0.273 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 823935486 SGFRCZQGJHRPRK-BBBLOLIVSA-N 257.334 -0.378 50 20 CBGD CC(C)NC(=O)CN1CCN(S(=O)(=O)CCl)CC1 829758743 PJFMGDHEOAUXQW-UHFFFAOYSA-N 297.808 -0.345 50 20 CBGD COCCN(C)NC(=O)[C@@H](C)CS(C)(=O)=O 848377890 WIMDNSLEBPKLCU-QMMMGPOBSA-N 252.336 -0.724 50 20 CBGD CCOC(=O)/C(C#N)=C\N[C@@H]1CS(=O)(=O)C[C@H]1OC 849175360 UWVMKWYKHFRYHF-MMIMJOASSA-N 288.325 -0.641 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCOCCF 852393483 GCAPFQTZOQGGJB-RKDXNWHRSA-N 277.296 -0.272 50 20 CBGD O=C(NN=C1CCCn2nccc21)[C@@H]1CCS(=O)(=O)C1 853285266 SBYGBKVRVCELLC-SECBINFHSA-N 296.352 -0.068 50 20 CBGD O=C(NNc1cccc(F)n1)C1(n2cnnn2)CC1 854442685 FHXPJAXIZMPZSN-UHFFFAOYSA-N 263.236 -0.160 50 20 CBGD C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)CO)C1 857862866 MKULOMHXFSHFRT-POYBYMJQSA-N 252.274 -0.785 50 20 CBGD CCO[C@H]1C[C@@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858532021 FEJQXGCHZWFCNP-YIZRAAEISA-N 284.316 -0.837 50 20 CBGD CO[C@H](CC(C)C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862462510 XIWVKYXHCUVQTQ-RKDXNWHRSA-N 271.317 -0.527 50 20 CBGD CNS(=O)(=O)CC(=O)NNCC(F)(F)C(F)(F)F 863096668 QXPYMNJQKDVTFU-UHFFFAOYSA-N 299.221 -0.646 50 20 CBGD COC(=O)[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(C)C 863869141 ILCFCHWKQZYVOU-NSHDSACASA-N 279.101 -0.706 50 20 CBGD COC(=O)[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1C 863880192 QJSQEQWZSFWWKJ-SKDRFNHKSA-N 291.112 -0.610 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1O[C@@H](C)C[C@@H]1C 869904525 AEEJNIULMKIQRW-ATZCPNFKSA-N 274.317 -0.390 50 20 CBGD NC(=O)[C@H]1CN(S(=O)(=O)CCCCl)CCO1 881844485 NSIZIHNNDRQXNS-SSDOTTSWSA-N 270.738 -0.869 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCCCN(C)C1=O 910139979 WDIZYTMHDMFBPZ-ZJUUUORDSA-N 257.334 -0.411 50 20 CBGD COCCn1cc(C(=O)NN(C)C[C@@H](C)O)cn1 910183994 OXLCBSPNGFZYNG-SECBINFHSA-N 256.306 -0.513 50 20 CBGD O=C(CCc1cscn1)NNC(=O)CN1CCCC1=O 913730919 NISMNXBXNFRVRJ-UHFFFAOYSA-N 296.352 -0.155 50 20 CBGD CC[C@@H](C)C(=O)NN=Cc1cn(C)c(=O)n(C)c1=O 915974698 NPDOBLJGOHDZNW-MRVPVSSYSA-N 266.301 -0.420 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)c(O)c1 919750048 LLIMYBHTMZBAHB-UHFFFAOYSA-N 286.309 -0.494 50 20 CBGD O=C(CN1CCCNC1=O)NNC(=O)NCC1CC1 920859013 PPWMAXZGJDGMQD-UHFFFAOYSA-N 269.305 -0.858 50 20 CBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccccc1Cl 1116729586 FXJNTOPTCQYZKD-UHFFFAOYSA-N 299.670 -0.401 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@@H]2CCCOC2)N1 1118858885 XSAJSQITWDJJNT-IUCAKERBSA-N 284.316 -0.978 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=S)NC(C)C 1119588234 LJUNNCSPEWXEEO-JTQLQIEISA-N 268.386 -0.012 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2csc(O)n2)cn1 1120244836 ZIQGRCODAMPONW-UHFFFAOYSA-N 267.270 -0.343 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H](F)C(F)(F)F 1261835534 YQVIKJBWNLITFM-BYPYZUCNSA-N 280.199 -0.921 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CCCN(C(N)=O)C1 1317994830 HOYZREXJAPHKFE-ZETCQYMHSA-N 257.294 -0.873 50 20 CBGD COC(=O)C(=O)NNC(=S)NCC(C)(C)CN(C)C 1319347041 WLEYBPXPAJWRIN-UHFFFAOYSA-N 290.389 -0.758 50 20 CBGD O=C(CO)NNC(=O)c1c[nH]c(Br)c1 1320376067 ADZZKMVLUYISQX-UHFFFAOYSA-N 262.063 -0.470 50 20 CBGD O=C(NN=CC[C@@H]1CCOC1)N[C@@H]1CCS(=O)(=O)C1 1320399780 VPBHHRSDNAJWCB-NXEZZACHSA-N 289.357 -0.115 50 20 CBGD NS(=O)(=O)c1ccccc1NNC(=O)[C@H]1CCOC1 1322274101 RSVIYFILYJVCRW-QMMMGPOBSA-N 285.325 -0.186 50 20 CBGD C=CCNC(=S)NNC(=O)C(=O)c1cccn1C 1327649777 GHSKWLVEQDOTLW-UHFFFAOYSA-N 266.326 -0.111 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCN([C@H]2CCOC2)CC1 1327866416 XCOVKGIJDNFBGG-RYUDHWBXSA-N 298.387 -0.661 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H](C)Sc1nncn1C 1328418201 WSWBIGFPQLEDRV-ZCFIWIBFSA-N 288.402 -0.237 50 20 CBGD COC[C@@H](OC)C(=O)NNc1nncc(N)c1Cl 1328472314 XYNAASPNZNBDSR-ZCFIWIBFSA-N 275.696 -0.183 50 20 CBGD Cn1cncc1CNC(=O)NNC(=O)Cc1cccnc1 1330436958 UXKRZWICROTNSR-UHFFFAOYSA-N 288.311 -0.112 50 20 CBGD CN(CCN)C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br 1331119631 HFZFSONNPMGDNN-XVKPBYJWSA-N 292.177 -0.307 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H](C)CS(C)(=O)=O 1334998720 UWWNYOYKGGWQNZ-JGVFFNPUSA-N 252.336 -0.989 50 20 CBGD COCC1(C(=O)NNC(=O)C(=O)Nc2ccccn2)CC1 1337397340 ZKLWPBUREYDTEV-UHFFFAOYSA-N 292.295 -0.406 50 20 CBGD CNC(=O)NNC(=O)Cc1ccc2c(c1)NC(=O)C2 1337653567 OKUQOXDLIIIUNL-UHFFFAOYSA-N 262.269 -0.316 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cnc2c(cnn2C)c1 1342989298 FNCMVWYNDJLNSI-UHFFFAOYSA-N 284.301 -0.909 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1353550018 RNVVJYBJESPGJL-LPEHRKFASA-N 271.317 -0.222 50 20 CBGD COC(=O)[C@@H](N)CCC(=O)NNc1cccc(OC)n1 1573928184 RDMICRBHVOIHSS-QMMMGPOBSA-N 282.300 -0.186 50 20 CBGD C=CCNC(=S)NNC(=O)[C@]12C[C@H](N)C[C@H]1C2 1574944285 ZPOLHXFEHHOFGJ-VAOFZXAKSA-N 254.359 -0.205 50 20 CBGD Cn1cc(C(=O)NNC(=O)C2CCNCC2)c(Cl)n1 1579953126 JGLPQFJOYSEVHX-UHFFFAOYSA-N 285.735 -0.166 50 20 CBGD Cn1nc(N)cc1C(=O)NNC(=O)c1cccc(C#N)c1 1579996444 CSMBBCZEFBNXHH-UHFFFAOYSA-N 284.279 -0.051 50 20 CBGD NCC(=O)NNC(=O)c1ccc([C@H]2CCC(=O)N2)cc1 1580210574 KFRMANGOIPPVIT-SNVBAGLBSA-N 276.296 -0.643 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(C(=O)O)CC1 1589418417 ZGIGHIQAUFNXAC-RQJHMYQMSA-N 256.258 -0.576 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1590000713 PPVOPKXHMHADDI-ZCFIWIBFSA-N 265.277 -0.848 50 20 CBGD CCN(CCO)NC(=O)c1cncc(C(=O)O)c1 1596340266 CHUKUKAINWQMIN-UHFFFAOYSA-N 253.258 -0.261 50 20 CBGD O=C(N[C@H]1CC[C@H]1C(=O)O)c1cc(B(O)O)ccc1F 1601571777 RGABUVCWKVFYDH-XCBNKYQSSA-N 281.048 -0.902 50 20 CBGD O=C(O)CNC(=O)NNS(=O)(=O)c1ccccc1F 1602072126 QUQFZJMXULRWBM-UHFFFAOYSA-N 291.260 -0.597 50 20 CBGD C[C@H](CNC(=O)NNC(=O)C(=O)O)Oc1ccccc1 1604179504 ZRYWQMPJIJHKLO-MRVPVSSYSA-N 281.268 -0.131 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)C(=O)O)cc1 1605288238 NSWPZLAWKPXIJM-QMMMGPOBSA-N 293.279 -0.198 50 20 CBGD Cn1nc(C(=O)O)cc1C(=O)NNC(=O)[C@H]1CCCS1 1605538829 HVWQGOZNDJBSAU-MRVPVSSYSA-N 298.324 -0.225 50 20 CBGD C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNC(=O)C(=O)O 1609226215 IQOUSKFPZSHQRS-HTQZYQBOSA-N 271.273 -0.617 50 20 CBGD CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841236079 VIPIHFOIKUNGAP-MRVPVSSYSA-N 290.747 -0.482 50 20 CBGD CC(C)N(C)CC(=O)NNC(=O)CNC(=O)c1ccco1 101526663 FPJSGFBKQYTYNC-UHFFFAOYSA-N 296.327 -0.503 50 20 CBGD COCCCNC(=O)NNC(=S)N[C@@H](C)COC 144933701 XIWOXQQSFPPSHM-QMMMGPOBSA-N 278.378 -0.264 50 20 CBGD NC(=O)CSCC(=O)NNC(=O)NC1CCCCC1 265387058 LRTBIVGMNCSPRH-UHFFFAOYSA-N 288.373 -0.132 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)c2cc(C)n[nH]2)CC1 270624102 IEENZUHPFRXINT-UHFFFAOYSA-N 280.284 -0.178 50 20 CBGD Cc1cc(C)nc(NNC(=O)C[C@H]2COCCN2)n1 285643595 GFVVEJMHLOVQRZ-JTQLQIEISA-N 265.317 -0.085 50 20 CBGD COCCN(C)NC(=O)Cn1cc([N+](=O)[O-])cn1 288437742 NVUQOKJEDIJROR-UHFFFAOYSA-N 257.250 -0.599 50 20 CBGD Cn1cnn(CCC(=O)NNc2ncccc2F)c1=O 293615344 KHNAAERMANHWGH-UHFFFAOYSA-N 280.263 -0.351 50 20 CBGD Cc1nonc1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 293787718 BWBIYRURPKIZSN-FSPLSTOPSA-N 254.246 -0.293 50 20 CBGD CCN1C[C@@H](C(=O)NNC(=O)CC2CC2)CC1=O 294182775 OHLHRDYBRUSPQX-VIFPVBQESA-N 253.302 -0.198 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=O)[C@@H]1CCCO1 294683573 POCRCDKTBHLTDX-ZETCQYMHSA-N 259.262 -0.989 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)C[C@H]1O 388064666 QPMCDJFAZBSGEX-ZYHUDNBSSA-N 277.324 -0.240 50 20 CBGD C[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@@H](C)O1 584924498 VHAIUSDUHODBEB-DTORHVGOSA-N 281.092 -0.245 50 20 CBGD CC(C)[C@H]1CN(C)CCN1C(=O)c1cccc(B(O)O)c1 584950055 OMZFGRPKHXCQKY-CQSZACIVSA-N 290.172 -0.221 50 20 CBGD C[C@@]1(F)CCN(C(=O)c2ccc(B(O)O)cc2)C1 584969306 LDAHPSCUOHUJGD-GFCCVEGCSA-N 251.066 -0.060 50 20 CBGD O=C(NC1CCC(CO)CC1)c1ccc(B(O)O)cc1 584972131 NVKMGGCUMJMCPE-UHFFFAOYSA-N 277.129 -0.353 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@@H](C)S1=O 584981246 UUEJLSYKHCBZII-NXEZZACHSA-N 295.169 -0.652 50 20 CBGD O=C(N[C@@H]1C[C@@H]2CCCCN2C1)c1cccc(B(O)O)c1 584997741 ITJDKRBGBFHOQD-KGLIPLIRSA-N 288.156 -0.277 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1F)c1nncn1C 585022719 XKRXEFVTLUDXFE-QMMMGPOBSA-N 278.096 -0.515 50 20 CBGD CN1CC=C(CNCc2ccc(B(O)O)cc2F)CC1 585034414 KKGADAMUHSDCLK-UHFFFAOYSA-N 278.136 -0.143 50 20 CBGD O=S(=O)(NCB(O)O)c1c(Cl)ccc(F)c1F 585059223 FGSBPJUZONOPQX-UHFFFAOYSA-N 285.464 -0.092 50 20 CBGD O=C(CCc1cnn(-c2ccccc2)c1)NCB(O)O 585060217 AVEINKULJSHCEB-UHFFFAOYSA-N 273.101 -0.067 50 20 CBGD CCCN(CCC)C(=O)CCC(=O)NCB(O)O 585060786 YMELFEAELZCETQ-UHFFFAOYSA-N 258.127 -0.457 50 20 CBGD O=C(NCB(O)O)c1ccn(-c2ccc(F)cc2F)n1 585062531 IVCKNIOTYXJMNV-UHFFFAOYSA-N 281.027 -0.108 50 20 CBGD Cc1n[nH]cc1C=NNC(=O)[C@@H](C)NS(C)(=O)=O 728434883 RGCLPJXRASBDMO-SSDOTTSWSA-N 273.318 -0.894 50 20 CBGD Cc1cc(NNC(=O)CCN2C(=O)CCC2=O)ncn1 734255370 YZOLYOBWLNBZCM-UHFFFAOYSA-N 277.284 -0.233 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)c2cccc(C#N)c2)C1 746218281 VIWWIOMMKHKAJR-LBPRGKRZSA-N 288.307 -0.350 50 20 CBGD O=C(NNC(=O)c1cnccn1)Nc1cnns1 755347284 IGOQPXLISQLLHH-UHFFFAOYSA-N 265.258 -0.205 50 20 CBGD CC(C)C(=O)NNC(=O)Nc1nccn(C)c1=O 757907002 OCQVUENSRGZOLL-UHFFFAOYSA-N 253.262 -0.411 50 20 CBGD O=C1COc2ncc(C(=O)NNC(=O)C3CC3)cc2N1 770573423 YEKHFUHJTZHEOU-UHFFFAOYSA-N 276.252 -0.417 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 770664189 WFMASERNNVCDEU-HBNTYKKESA-N 290.385 -0.096 50 20 CBGD Nc1nc(C2CC2)ncc1C(=O)NNC(=O)c1cnn[nH]1 806795514 CFLUYNQUCBAEKL-UHFFFAOYSA-N 288.271 -0.871 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cncc(O)c2)CC1 807380088 OQINUGRIYPCCOR-UHFFFAOYSA-N 279.300 -0.611 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(F)(F)[C@@H](CO)C1 812859595 OQQPYYGTOBLWPD-RKDXNWHRSA-N 293.314 -0.118 50 20 CBGD O=C(CN1CCCC1=O)NN=Cc1c[nH]c(C(=O)O)c1 814761073 ODHSYCPZFSSYHN-UHFFFAOYSA-N 278.268 -0.215 50 20 CBGD O=C(CNC(=O)c1ccc(F)cc1)NNc1nc[nH]n1 816631447 RXWMGOMSPKIGEA-UHFFFAOYSA-N 278.247 -0.183 50 20 CBGD CCC[C@H](C(=O)NNc1ncccn1)S(N)(=O)=O 816849444 ZMWPVYLRPHDSTN-SSDOTTSWSA-N 273.318 -0.623 50 20 CBGD CC1=NO[C@H](C(=O)NNC(=O)CNC(=O)c2ccco2)C1 825267075 QAFOZWRVHDONJW-VIFPVBQESA-N 294.267 -0.678 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)[C@H]1CCNC1=O 826773660 GAYSPQCHEVJKLG-QMMMGPOBSA-N 293.279 -0.946 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1=COCCO1 843640815 PWNFNBLWKUPLRG-HTQZYQBOSA-N 256.258 -0.553 50 20 CBGD Cc1nn(CC(=O)NNc2ccc(Cl)nn2)c(=O)n1C 848370178 MZGOCNSKKHSVNK-UHFFFAOYSA-N 297.706 -0.523 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@H](C)[C@@](C)(CO)C1 852705450 WWHARHFYFURHGU-GXFFZTMASA-N 271.361 -0.260 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CCCN(C(C)=O)C1 854928057 NGQLAZVPWHKPHZ-VIFPVBQESA-N 272.374 -0.288 50 20 CBGD C[C@@H](NC(=S)NNC(=O)c1cnn(C)n1)C1CC1 855097599 ULZHPCJQNSGBQX-ZCFIWIBFSA-N 268.346 -0.278 50 20 CBGD Cc1nnc(C(=O)NN(C)C(=O)N2CCNCC2)s1 857766451 QJKSTAKVWJJVMC-UHFFFAOYSA-N 284.345 -0.552 50 20 CBGD CO[C@H]1C[C@H](NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1 858571424 FTICSPYJWWRSCR-KYXWUPHJSA-N 271.317 -0.081 50 20 CBGD C#CCCCCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862459953 BZVCKWIPNBPNTR-JTQLQIEISA-N 265.313 -0.004 50 20 CBGD Cc1cc(=NNC(=O)CCN2CCCS2(=O)=O)cc[nH]1 862510464 IADPNUMUODULHT-UHFFFAOYSA-N 298.368 -0.319 50 20 CBGD CCCn1cc(C=NNC(=O)CN2CCCC2=O)nn1 872335024 GEZGLTOEVVQSQQ-UHFFFAOYSA-N 278.316 -0.239 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1ccc(F)nc1F 882686373 WLCCCLMEYHMJAF-UHFFFAOYSA-N 280.256 -0.176 50 20 CBGD COc1ccc(NC(=O)C(=O)NN(C)C[C@H](C)O)cc1 910167825 NLOGJGDCYMGBJL-VIFPVBQESA-N 281.312 -0.023 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cnn[nH]2)n1 918281562 HRUDEOQOULYPFE-UHFFFAOYSA-N 263.261 -0.921 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 920297699 MABQAYUTMZXLSZ-SSDOTTSWSA-N 265.335 -0.882 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ncn(C)n1 1118125645 XBQQNAGOEPKFEC-YUMQZZPRSA-N 282.304 -0.930 50 20 CBGD COc1cccc2c1NC(=O)C2=NNC(=O)CCO 1118171019 YEEHNGAKBIXONM-UHFFFAOYSA-N 263.253 -0.150 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H]2CC23CCOCC3)N1 1261790574 PHUQQWSQUJYCIY-DTWKUNHWSA-N 296.327 -0.836 50 20 CBGD O=C(NNc1ccncn1)[C@H]1CC(=O)N(C2CC2)C1 1262626314 LKRBZMLCHMOOQJ-QMMMGPOBSA-N 261.285 -0.069 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)Cc2cccnc2)CC1 1318432206 UOCSKTYPMKISIB-UHFFFAOYSA-N 262.269 -0.963 50 20 CBGD CC(C)NC(=O)NNC(=O)c1cc(C(N)=O)c[nH]1 1319076318 KYOFKHNRJQYOIC-UHFFFAOYSA-N 253.262 -0.534 50 20 CBGD Cc1cc(C=NNC(=O)CN2CCCC2=O)ncn1 1324216148 BEJQGQJDSHJAPU-UHFFFAOYSA-N 261.285 -0.142 50 20 CBGD Cn1cncc1CC(=O)NNC(=O)Cc1cc[nH]n1 1324781317 WPJKLYNSXLQQCJ-UHFFFAOYSA-N 262.273 -0.924 50 20 CBGD COC(=O)N(C)CCNC(=O)NNC(=O)c1ncccn1 1327858540 FSRNWHFRLKAESX-UHFFFAOYSA-N 296.287 -0.881 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)C23CCCN2CCC3)N1 1329531483 UCVUGTRIIUMQKG-VIFPVBQESA-N 280.328 -0.959 50 20 CBGD CC(=O)NNC(=O)[C@@H](C)n1cnc2c(N)ncnc21 1330103299 XBWRHUHZYJFCIK-RXMQYKEDSA-N 263.261 -0.863 50 20 CBGD Cc1ncccc1CC(=O)NNC(=O)[C@H]1CCC(=O)N1 1330515790 CVHZFKALENZDQI-SNVBAGLBSA-N 276.296 -0.641 50 20 CBGD N#CCCCCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 1331692225 VNUZKWPPMKLFPB-SECBINFHSA-N 266.301 -0.114 50 20 CBGD O=C(O)CCCCC(=O)NNC(=O)c1ncon1 1574699868 XPRFYWOCFRBZEZ-UHFFFAOYSA-N 256.218 -0.524 50 20 CBGD CNNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl 1578741166 HDPVVAYQHCUHKF-SECBINFHSA-N 298.730 -0.436 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(C(=O)O)CCC1 1589415345 IAMSPLYHIBADQF-SFYZADRCSA-N 270.285 -0.186 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1[C@H]2CC[C@H]1[C@H](C(=O)O)C2 1594712383 JWHASDSPKKAGPQ-QEYWKRMJSA-N 283.328 -0.130 50 20 CBGD CCN(CC(=O)O)CC(=O)NNC(=O)c1ccc(F)cc1 1596222053 BUNAYYMCMARSMA-UHFFFAOYSA-N 297.286 -0.007 50 20 CBGD O=C(Cn1ncnn1)NNc1ccc(C(=O)O)c(F)c1 1601391561 MSJAYGJCYSCKOZ-UHFFFAOYSA-N 280.219 -0.346 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cn1cc(C(=O)O)cn1 1604834518 LGSXYGLSAGDBGO-IONNQARKSA-N 296.283 -0.846 50 20 CBGD COc1nccnc1NNC(=O)[C@@](C)(OC)C(=O)O 1604911545 DLDCXJZYKKYZIX-SNVBAGLBSA-N 270.245 -0.582 50 20 CBGD Cc1cc(S(=O)(=O)NNC(=O)NCC(=O)O)c(C)o1 1610477938 QTCHXPCKPCHBQJ-UHFFFAOYSA-N 291.285 -0.526 50 20 CBGD Cn1nc(C(=O)O)cc1C=NNC(=O)c1ccc(CO)o1 1776097108 KUYIXLIYIWHPSY-UHFFFAOYSA-N 292.251 -0.033 50 20 CBGD O=C(Cn1cccnc1=O)NNC(=O)c1ccccn1 32633801 NEGRGLYBJFGZIQ-UHFFFAOYSA-N 273.252 -0.901 50 20 CBGD Cc1cc(C)nc(NNC(=O)NCCS(C)(=O)=O)n1 49518671 AANFAHQRXNRBTN-UHFFFAOYSA-N 287.345 -0.236 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1O 188456100 MFASALZKOXRVSK-UHFFFAOYSA-N 285.263 -0.009 50 20 CBGD Cn1cc(C(=O)NNC(=O)C[C@](C)(O)C2CC2)cn1 270044014 KGBGZLBEAXPTGE-LBPRGKRZSA-N 266.301 -0.268 50 20 CBGD Cn1cc(-c2ncccc2NC(=O)NNC(=O)CO)cn1 364994233 CLHUGYIOZNNUNR-UHFFFAOYSA-N 290.283 -0.373 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@H]1CCC(=O)N(C)C1=O 491177648 YDDWTFOSENLOQQ-FUOZMLNRSA-N 265.269 -0.306 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1C[C@H]2C=C[C@H]1N(C(=O)OC)C2 496039489 AUKMTAAIVJXDFP-KXUCPTDWSA-N 296.327 -0.020 50 20 CBGD CN1CCC(NC(=O)c2cc(B(O)O)ccc2F)CC1 584925961 VNHKBWJIRVWQFP-UHFFFAOYSA-N 280.108 -0.671 50 20 CBGD CC1(C)CN(C(=O)c2cc(B(O)O)ccc2F)CCO1 584928543 IOVCHQPVXCNNNY-UHFFFAOYSA-N 281.092 -0.244 50 20 CBGD CCCN(CCO)C(=O)c1cc(B(O)O)ccc1F 584931291 OPXPOZCJMMFDDF-UHFFFAOYSA-N 269.081 -0.650 50 20 CBGD CCN(C(=O)c1ccc(B(O)O)cc1)[C@@H](C)COC 584932305 JOUZYHGYSPRGOQ-JTQLQIEISA-N 265.118 -0.137 50 20 CBGD CN(C)[C@H](CNC(=O)c1ccc(B(O)O)c(F)c1)C1CC1 584933283 YWDWSVSYTMQGAJ-CYBMUJFWSA-N 294.135 -0.425 50 20 CBGD CCN(C)CCNC(=O)c1ccc(B(O)O)c(F)c1 584944587 CARRIOVLNYZTAU-UHFFFAOYSA-N 268.097 -0.813 50 20 CBGD CCN(C)CCNC(=O)c1cccc(B(O)O)c1 584946071 PCVDBKGOBSKXIW-UHFFFAOYSA-N 250.107 -0.952 50 20 CBGD CC[C@H]1CN(CC)CCN1C(=O)c1cccc(B(O)O)c1 584996585 MHTLOHXPGXHMGM-AWEZNQCLSA-N 290.172 -0.077 50 20 CBGD CN1CCC[C@@H](NCc2ccc(B(O)O)cc2F)C1 585018075 GSOMPLKBCDSMBZ-GFCCVEGCSA-N 266.125 -0.311 50 20 CBGD COC[C@H](NCc1ccc(B(O)O)cc1)[C@H]1CCCO1 585039352 SMFGEZURZNFFRC-UONOGXRCSA-N 279.145 -0.350 50 20 CBGD CC(C)[C@H](CO)CNCc1ccc(B(O)O)cc1 585041069 TVFFJMCFWQQNJR-LBPRGKRZSA-N 251.135 -0.280 50 20 CBGD O=C(NCC(=O)N1CC[C@H](B(O)O)C1)c1cccc(F)c1 585067272 VTWPMRAEFAPDHT-JTQLQIEISA-N 294.091 -0.369 50 20 CBGD CC(C)NC(=O)CNC(=S)NNC(=O)C(C)C 727271570 WFSNGJUSCZYSDF-UHFFFAOYSA-N 260.363 -0.338 50 20 CBGD CNC(=O)c1ccc(C(=O)NNC(=O)NC(C)C)cn1 728519034 XBLQUCPFUAWUEE-UHFFFAOYSA-N 279.300 -0.206 50 20 CBGD CCOC(=O)CN(C)[C@H](C)C(=O)NNC(=O)CC 731850296 UDWDIVBBNSFUJX-MRVPVSSYSA-N 259.306 -0.573 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)N1 732280001 VMFMQIAJUJMNGH-GXSJLCMTSA-N 289.291 -0.584 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O 753438392 DMDKWCGONVDHDY-JTQLQIEISA-N 295.270 -0.682 50 20 CBGD COc1ncncc1NC(=O)NNC(=O)c1cc(C)[nH]n1 757690340 KWMQBBVKKIUCFB-UHFFFAOYSA-N 291.271 -0.017 50 20 CBGD O=C(CNC(=O)C1CC1)NNc1ncccc1[N+](=O)[O-] 759291233 MDJCZQFMCSFQNA-UHFFFAOYSA-N 279.256 -0.041 50 20 CBGD CC(C)(C(N)=O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 767396869 XKGGUFOZDSXOBM-UHFFFAOYSA-N 294.267 -0.133 50 20 CBGD COC[C@@H](C)NC(=O)NNc1nc(O)c2cnn(C)c2n1 769818323 JRCPYSFCBXZQCW-ZCFIWIBFSA-N 295.303 -0.270 50 20 CBGD O=C(CCCN1C(=O)CNC1=O)NNc1ccccn1 777472802 AREGCNSRFIEYTJ-UHFFFAOYSA-N 277.284 -0.143 50 20 CBGD Cc1c(C(=O)NNC(=O)CO)cnn1-c1ccccn1 777781590 BTMYUEFEPDYXAU-UHFFFAOYSA-N 275.268 -0.671 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CO[C@@H](C)C2)n[nH]1 784159058 YLJZIZVCCMVKMG-YUMQZZPRSA-N 252.274 -0.096 50 20 CBGD C[S@](=O)c1ccc(C(=O)NNC(=O)C(C)(C)O)cc1 787947797 WRRKOIMROWBAQM-IBGZPJMESA-N 284.337 -0.044 50 20 CBGD CSCCONC(=O)NN[C@]1(C)CCS(=O)(=O)C1 793421955 YZDVJIILQOBTQK-SECBINFHSA-N 297.402 -0.338 50 20 CBGD Cc1cc(C(F)(F)F)nn1CC(=O)NNC(=O)CO 810919157 GIIDDIIHMOKTMT-UHFFFAOYSA-N 280.206 -0.650 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cc[nH]n1 814835499 SDAUOWOCPXZMLB-ZETCQYMHSA-N 273.318 -0.812 50 20 CBGD O=C(NNC(=O)C1=NN2CCCN=C2N1)NC1CCCC1 824342938 PEXFHDCPAPNQAB-UHFFFAOYSA-N 293.331 -0.762 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccn(C)c1=O 831481403 PIEKBUPZVFMQFM-BDAKNGLRSA-N 294.311 -0.037 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843974167 BQCCZINTYPNCQW-HBNTYKKESA-N 285.344 -0.721 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n[nH]1 843980675 WDRVXCKPAVTQKQ-WCBMZHEXSA-N 266.301 -0.167 50 20 CBGD CCC[C@H](C(=O)OCC)S(=O)(=O)NNC(=O)OC 844644100 KLMOCYUFODJBOR-SSDOTTSWSA-N 282.318 -0.091 50 20 CBGD C=C[C@@H](C)ONC(=O)NNC(=O)C(=O)N1CCCC1 845634767 WOTUNKLGLNEQHU-MRVPVSSYSA-N 270.289 -0.555 50 20 CBGD CCC(CC)(CO)C(=O)NNC(=O)C(=O)NC(C)C 847298700 PWECADDTUUSLNQ-UHFFFAOYSA-N 273.333 -0.543 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@H]1CC[C@@H]1C(N)=O 847478177 TXXVQLAXJPWDQV-IUCAKERBSA-N 291.307 -0.032 50 20 CBGD COCCn1ccc(C(=O)NNC(=O)c2cc[nH]n2)n1 855355892 BXVNZQFBHWPSSF-UHFFFAOYSA-N 278.272 -0.673 50 20 CBGD CC1(C)C[C@@H]1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858215497 GKVWEIQARYJAIL-SFYZADRCSA-N 268.317 -0.359 50 20 CBGD CC(C)=CCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858388070 RYEMGKLLHVBEIZ-QMMMGPOBSA-N 254.290 -0.438 50 20 CBGD C=CC(=O)N(C)CC(=O)NNc1nccc(OC)n1 858404352 UIZOYSQAECWGNU-UHFFFAOYSA-N 265.273 -0.427 50 20 CBGD Cc1nc(Cl)cc(NNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)n1 862012908 MIONFZPWFRLUAE-RQJHMYQMSA-N 299.718 -0.086 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)N2CCC[C@H]2C(N)=O)cn1 862897329 MLEBTEITVFTUCA-VQNWOSHQSA-N 273.296 -0.197 50 20 CBGD COC(=O)COCCNC(=O)/C(C#N)=C/c1cnn(C)c1 862951538 YFPSGDXIWZQTFC-VZUCSPMQSA-N 292.295 -0.367 50 20 CBGD COC[C@@H](C)C(C)=NNC(=O)CS(C)(=O)=O 863187190 BECANNOUSIUVHW-SSDOTTSWSA-N 250.320 -0.194 50 20 CBGD COC(=O)[C@H](NC(=O)c1cc(B(O)O)ccc1F)C1CC1 863875129 LZLYMSZPZNZAKL-LLVKDONJSA-N 295.075 -0.813 50 20 CBGD COC(=O)N(C)NC(=O)NC[C@@H]1CCOC[C@@H]1OC 875635756 GGDBEZRQIKTFFX-IUCAKERBSA-N 275.305 -0.050 50 20 CBGD COC[C@@](C)(CO)NCC(=O)NNC(=O)C(C)(C)C 879163464 UVXSUIDEOZYOGG-GFCCVEGCSA-N 275.349 -0.833 50 20 CBGD O=C(NNC(=O)[C@@H]1CCSC1)c1cccnn1 882057656 FNFCYUJFXALZIU-SSDOTTSWSA-N 252.299 -0.009 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)N2CCOC[C@@H]2CCO)cn1 889880160 GKTDQYWABJHRLC-TZQNSNDFSA-N 290.323 -0.063 50 20 CBGD OB(O)c1ccc(CNCCO[C@H]2CCCCO2)cc1 894795100 RCQLKFGEEZUJJT-AWEZNQCLSA-N 279.145 -0.001 50 20 CBGD C[C@H](NNC(=O)[C@@H]1OCCN(C)C1=O)C(F)(F)F 912898807 QYYCMBHAJFNSGV-WDSKDSINSA-N 269.223 -0.585 50 20 CBGD CC(C)OCCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1317940178 QIUWXOFHVLWVKN-SECBINFHSA-N 292.357 -0.616 50 20 CBGD CC(C)CC(=O)NNC(=O)C(=O)Nc1ccn(C)n1 1320235045 NYCDEBBJXHZRPC-UHFFFAOYSA-N 267.289 -0.448 50 20 CBGD Cc1cccc(C(=O)NNC(=O)NCC[S@@](C)=O)n1 1321195144 DMICXOKFQSFLJZ-LJQANCHMSA-N 284.341 -0.287 50 20 CBGD Cc1cc[nH]c1C(=O)NNc1ccc(C(N)=O)nn1 1321614665 WWZZWFWSAVDYAC-UHFFFAOYSA-N 260.257 -0.031 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc(S(C)(=O)=O)o1 1322027483 ZOSSGUSRRXWDJL-UHFFFAOYSA-N 290.297 -0.785 50 20 CBGD COCCCC(=O)NNC(=O)C(=O)Nc1ccccn1 1323812652 CDHTVTHNRHTXJF-UHFFFAOYSA-N 280.284 -0.406 50 20 CBGD O=C(CCn1cnccc1=O)NNc1ncc(F)cn1 1324260132 DULKLPVAMNJNOX-UHFFFAOYSA-N 278.247 -0.294 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@]1(C(N)=O)CCOC1 1326821341 GAIILYCVTDAWFC-LXSSAFMLSA-N 253.258 -0.809 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CCC(O)(CO)CC1 1328480776 PNVONMCUMKVDFK-NTMALXAHSA-N 254.286 -0.224 50 20 CBGD O=C(c1cc2c(nc1O)CCC2)N1CC[C@@H](B(O)O)C1 1329214305 FNEVSNXEQDPBFT-SECBINFHSA-N 276.101 -0.035 50 20 CBGD O=C(C[C@@H]1CCC(=O)N1)NNC(=O)CC(F)(F)F 1334441231 SPIFGPLEUXJQEZ-YFKPBYRVSA-N 267.207 -0.245 50 20 CBGD O=C(NCC1CCS(=O)(=O)CC1)NNc1cccnn1 1341154752 KYDVNEAJASEWEB-UHFFFAOYSA-N 299.356 -0.073 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1CCN(C2CC2)C1 1345722964 OGOUSVKXCLXTFS-JBLDHEPKSA-N 296.371 -0.022 50 20 CBGD C[C@H](C(=O)NNc1ncncc1F)N1C(=O)CCC1=O 1347729954 XUEQQWPYLKSIOA-ZCFIWIBFSA-N 281.247 -0.404 50 20 CBGD CNc1ccc(NC(=O)C(=O)NNC(=O)CCO)cc1 1348296181 DDRSKYQZTMIHRA-UHFFFAOYSA-N 280.284 -0.803 50 20 CBGD CC(=O)N[C@@](C)(C(=O)NNC(=O)C1CCNCC1)C(C)C 1574999136 XKXQLYPZGOCRBU-CQSZACIVSA-N 298.387 -0.316 50 20 CBGD COC(=O)[C@@H]1CC[C@H](C(=O)NNC(=O)[C@@H]2CCCNC2)C1 1578833371 UPTKGJGJCINKEJ-HBNTYKKESA-N 297.355 -0.277 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@@H](C(=O)O)C1)C1CCOCC1 1601556495 ZPFHVKGVDVOICR-DTORHVGOSA-N 270.285 -0.329 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cn1ccc(C(=O)O)n1 1604836446 WTHVFNYTYDYYPB-YUMQZZPRSA-N 296.283 -0.846 50 20 CBGD CCCCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 48952892 PVPLGKBKVYFQBP-QMMMGPOBSA-N 277.346 -0.306 50 20 CBGD C[C@H](C(=O)O)N(C)CC(=O)NNC(=O)c1ccccc1 54068851 JIRFAMAUICNMSJ-SECBINFHSA-N 279.296 -0.148 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@@H]1COCCO1 67436802 TWGFMLVSKRECLU-NSHDSACASA-N 280.280 -0.128 50 20 CBGD CC(C)NC(=O)CNC(=O)NNc1cccnn1 77337227 OWOSBMAQYIJDTJ-UHFFFAOYSA-N 252.278 -0.373 50 20 CBGD C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNC(=O)C(=O)NC1CC1 101629068 MRTVTTPXNOSWKP-AEJSXWLSSA-N 296.371 -0.326 50 20 CBGD CC(=O)N1CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)CC1 109824532 OMWQMSKKOGIMKA-NSHDSACASA-N 298.387 -0.268 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCS1)C(=O)NC1CC1 273036498 ZTHHFFHQLBCDMA-MRVPVSSYSA-N 271.342 -0.302 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@H](NC(N)=O)C(C)(C)C 282707333 PJOAAGZEAKLDFW-ZETCQYMHSA-N 273.337 -0.192 50 20 CBGD COC(=O)N(C)NC(=O)[C@@](C)(O)Cn1c(C)cccc1=O 286187526 CUKFEBZCFIBNST-ZDUSSCGKSA-N 297.311 -0.363 50 20 CBGD CCO/C=C(/C#N)C(=O)NNC(=O)Cc1cc[nH]n1 491108868 YPTQDILBEKUZQB-FPLPWBNLSA-N 263.257 -0.456 50 20 CBGD COC[C@@H](C)N(C)C(=O)c1cccc(B(O)O)c1 584931975 LQATVZVZJASGKT-SECBINFHSA-N 251.091 -0.527 50 20 CBGD C[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)CCS1 584941418 BZHBQOJDPCJQRV-SECBINFHSA-N 265.143 -0.056 50 20 CBGD CC(C)[C@H](O)CNC(=O)c1cc(B(O)O)ccc1F 584959645 JTOWQXJZGVTCCE-LLVKDONJSA-N 269.081 -0.748 50 20 CBGD CSC[C@@H](CCO)NC(=O)c1cccc(B(O)O)c1 584962410 FKHLVLJVSQRLJD-LLVKDONJSA-N 283.158 -0.790 50 20 CBGD C[C@@H]1CC[C@@H](CO)CN1C(=O)c1ccc(B(O)O)c(F)c1 584967847 NPMDJUVEKMBNIH-NXEZZACHSA-N 295.119 -0.262 50 20 CBGD C[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1CO 584970779 UAXRFSKSEZOWNR-GWCFXTLKSA-N 277.129 -0.401 50 20 CBGD COC[C@H](C)[C@H](C)NC(=O)c1cc(B(O)O)ccc1F 584993204 XMTFZDWZTHVZPE-IUCAKERBSA-N 283.108 -0.094 50 20 CBGD C[C@@H](NCc1ccccc1B(O)O)c1cnn(C)c1 585025209 OHLFETQITUWPEF-SNVBAGLBSA-N 259.118 -0.049 50 20 CBGD C[C@H]1[C@@H](CNCc2cccc(B(O)O)c2)N(C)CCN1C 585043688 SOFDAFQZDUEDCO-SWLSCSKDSA-N 291.204 -0.910 50 20 CBGD O=C(NCB(O)O)[C@H]1CSCN1C(=O)c1ccccc1 585056337 SWEVVNQFRQKELK-SNVBAGLBSA-N 294.141 -0.670 50 20 CBGD COc1cn(-c2ccccc2)nc1C(=O)NCB(O)O 585058020 QSPDUOZOUYYVQH-UHFFFAOYSA-N 275.073 -0.377 50 20 CBGD CCCc1[nH]nc(C(=O)N2CC[C@H](B(O)O)C2)c1[N+](=O)[O-] 585071629 XHFNDQZKQCDITD-ZETCQYMHSA-N 296.092 -0.041 50 20 CBGD CN(C)c1cc(C(=O)NNC(=O)c2cn[nH]c2)ccn1 731656271 FKINNFMIXPYESM-UHFFFAOYSA-N 274.284 -0.055 50 20 CBGD CC(=O)NNC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)O 736156150 RKMQSVDSERLMGN-UHFFFAOYSA-N 281.268 -0.066 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@@H]1COCCO1 745173287 MPMOGRDVSLJYOO-ZETCQYMHSA-N 261.347 -0.304 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1[C@H]2CC[C@H]1CC(=O)NC2 748826549 VKFGEHRTZMGSTL-UTLUCORTSA-N 282.344 -0.715 50 20 CBGD CC[C@H](C)C(=O)NNS(=O)(=O)c1cn(C)cn1 751269672 XECBAVWSYXXPPI-ZETCQYMHSA-N 260.319 -0.224 50 20 CBGD N#CCOc1cccc(CC(=O)NNC(=O)CO)c1 753438196 BUMJLARUEAOAFU-UHFFFAOYSA-N 263.253 -0.729 50 20 CBGD CNC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1O 753802160 LKCMGSWXTHNATE-UHFFFAOYSA-N 254.202 -0.126 50 20 CBGD O=C(NNC(=O)C1(O)CCCC1)C(=O)Nc1ccccn1 758846868 QDHNZVZKXZQUAT-UHFFFAOYSA-N 292.295 -0.527 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1cc(F)c(F)cc1F 764420993 IKCJJVBXHHAMGM-UHFFFAOYSA-N 291.185 -0.818 50 20 CBGD CCNC(=O)NNC(=O)c1cn(C(C)(C)C)nn1 790513260 GCIXRGCCZAGPKD-UHFFFAOYSA-N 254.294 -0.003 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1CCC(=O)c2cccn21 790637578 YDXKPLPUTMBZEL-SNVBAGLBSA-N 278.312 -0.285 50 20 CBGD COCCO[C@@H](C)C(=O)NN=C1C(=O)OC[C@@H]1C 794914735 JAJIOFBCDWEYRM-YUMQZZPRSA-N 258.274 -0.297 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=O)NCC(F)(F)F 798315016 KXVFZPBTRAGQOD-ZETCQYMHSA-N 273.211 -0.724 50 20 CBGD CC(=O)NNC(=O)[C@@H]1COCCN1CC(F)F 806307712 HKHITZOHDOBUMP-ZETCQYMHSA-N 251.233 -0.880 50 20 CBGD O=C(C[C@@H]1CCCC(=O)N1)NNC(=O)NCC1CC1 813423886 BTCYKEDVQOXRTA-VIFPVBQESA-N 268.317 -0.214 50 20 CBGD O=C1C[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)N1 820115109 XUVVJOUIZCSFGL-QMMMGPOBSA-N 291.263 -0.893 50 20 CBGD COc1ccnc(NNC(=O)C[C@@H]2CCC(=O)N2C)n1 821482206 WQWGAAHZICKBTN-QMMMGPOBSA-N 279.300 -0.061 50 20 CBGD COCCCOCCC(=O)NNC(=O)N1CCOCC1 824621334 NJUPDOQWRIZAHS-UHFFFAOYSA-N 289.332 -0.497 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NNC(=O)C1CCC1 827298017 HKXPFBGZZAIDED-IONNQARKSA-N 284.316 -0.427 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1cnccc1Cl 847297821 FOEGJUMGIGKGBY-UHFFFAOYSA-N 298.730 -0.051 50 20 CBGD CC(=O)NNC(=O)[C@H](CS(C)(=O)=O)c1ccccc1 854155625 RMCPOGZFSCHKHW-LLVKDONJSA-N 284.337 -0.018 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CCCCN1C(C)=O 854925885 OPHVZPBJOBDWGS-SECBINFHSA-N 272.374 -0.145 50 20 CBGD CCC(=O)C1(C(=O)NNC(=O)c2cc[nH]n2)CC1 855354888 LWWHKGJIZZUWPP-UHFFFAOYSA-N 250.258 -0.070 50 20 CBGD O=C1N[C@@H](C(=O)NNc2ncc(F)cn2)CCO1 860463723 YPGKFPQAGUANJU-ZCFIWIBFSA-N 255.209 -0.443 50 20 CBGD C[C@@H](OCC1CC1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862453663 LXZMEGPAIXYVRK-VXNVDRBHSA-N 269.301 -0.773 50 20 CBGD COC[C@H](C)[C@@H](C)C(=O)NNC(=O)CS(C)(=O)=O 863466175 NPBHHZLWBGGWHI-JGVFFNPUSA-N 280.346 -0.903 50 20 CBGD CN1CCC[C@@H](NC(=O)NNC(=O)[C@H]2CCCCO2)C1=O 875810013 RMPUAAOACXFACG-NXEZZACHSA-N 298.343 -0.493 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H](O)c1cnn(C)c1 887148030 LIZFTXIEMOQPPT-NSHDSACASA-N 264.285 -0.596 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1COc2ccc(O)cc2O1 910148190 YCFKJNMGZRVBSH-QPUJVOFHSA-N 282.296 -0.124 50 20 CBGD CC(C)CO[C@@H](C)C(=O)NNC(=O)CN1CCCC1=O 920805903 VCUVLWYBTXUGNG-JTQLQIEISA-N 285.344 -0.183 50 20 CBGD CCNC(=O)NNC(=O)[C@]12CCC(=O)N1CCS2 920858572 ILEZBVNWHRNKAY-SNVBAGLBSA-N 272.330 -0.598 50 20 CBGD Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@H]1CCOC1 921207786 ZGJUTNJCUUNGSH-ZETCQYMHSA-N 282.256 -0.269 50 20 CBGD CC(C)N1CCC[C@H]1C(=O)NNC(=O)C(=O)N1CCCC1 931248288 SMOZSYQOYCLPRG-NSHDSACASA-N 296.371 -0.371 50 20 CBGD O=C(Cn1[nH]cc2c(=O)ncnc1-2)NNc1ccccn1 1116496345 BAIWZFRDQXCSKK-UHFFFAOYSA-N 285.267 -0.391 50 20 CBGD CC(C)(CO)C(=O)NNC(=O)C(=O)Nc1ccccn1 1118314028 ZHDLEFCHJNCDCA-UHFFFAOYSA-N 280.284 -0.814 50 20 CBGD CCc1ncc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 1118857677 UWJJHHGHUQUWHB-MRVPVSSYSA-N 292.299 -0.530 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CN2CCN1C[C@@H]2C 1123780986 UJYDSWIMFSSSDP-VHSXEESVSA-N 269.349 -0.933 50 20 CBGD CC(C)NC(=O)NNC(=O)C(=O)Nc1ccccn1 1319606547 UEXRCLJDRNPNAV-UHFFFAOYSA-N 265.273 -0.241 50 20 CBGD COc1nccnc1NNC(=O)c1n[nH]c(O)n1 1320363563 GTALELBXAMVGMQ-UHFFFAOYSA-N 251.206 -0.934 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@@H](CCOC)C(N)=O 1320637302 MAFWCAHVIUGMAF-FUOZMLNRSA-N 255.274 -0.563 50 20 CBGD CN(C)C(=O)NNC(=O)CCC(=O)c1cnn(C)c1 1321506006 CPMPHOZJZLBKCJ-UHFFFAOYSA-N 267.289 -0.315 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)CC1(O)CCOCC1 1324302927 WLNIIAWGXPMDJU-JTQLQIEISA-N 287.360 -0.594 50 20 CBGD NC(=O)N1CCC[C@H](C(=O)NNc2ncncc2F)C1 1326368146 WNJWVJBCCSDWDK-ZETCQYMHSA-N 282.279 -0.151 50 20 CBGD O=C(c1ccc(-n2cnnc2)cc1)N1CC[C@@H](B(O)O)C1 1329672477 QIEVVGWUTYAEIE-LLVKDONJSA-N 286.100 -0.044 50 20 CBGD Cn1c(N)nc(Cl)c1C=NNC(=O)[C@H]1CCC(=O)N1 1330141959 HNSXHOCDEJFERQ-RXMQYKEDSA-N 284.707 -0.616 50 20 CBGD Cn1nncc1NNC(=O)Cc1nnn(C(C)(C)C)n1 1331130121 BKNPGERPCVZTTJ-UHFFFAOYSA-N 279.308 -0.758 50 20 CBGD O=C(NN=Cc1cnc2n1CCOC2)N1CCOCC1 1332061631 PIWAPKVAFGLJSA-UHFFFAOYSA-N 279.300 -0.211 50 20 CBGD O=C(NCC(=O)N1CC[C@@H](B(O)O)C1)NCc1ccco1 1335434957 ZUWDHVMMMWFBQB-SECBINFHSA-N 295.104 -0.846 50 20 CBGD O=C(NNC(=O)C1CCOCC1)c1cnc2cccnn12 1339765135 JGKVCILMNPJZDF-UHFFFAOYSA-N 289.295 -0.083 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)COCC3CC3)nc21 1340732929 MJNAXIBLJRXUCO-UHFFFAOYSA-N 292.299 -0.061 50 20 CBGD Cc1ncc(C(=O)NNC(=O)NC2CC2)c(N)n1 1347379110 FQQHQJBPUOFSQX-UHFFFAOYSA-N 250.262 -0.526 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)C(=O)NC(C)C)c[nH]1 1347600499 MGQGISHIAOFKKS-UHFFFAOYSA-N 296.283 -0.913 50 20 CBGD Cn1ccnc(NNC(=O)c2ccc(C(=O)O)[nH]2)c1=O 1574779185 GOPZTONYKACARJ-UHFFFAOYSA-N 277.240 -0.437 50 20 CBGD Cn1cccc1C(=O)NNC(=O)C[C@@H](N)C(F)F 1579973739 CLPRUHWSANTPFC-ZCFIWIBFSA-N 260.244 -0.231 50 20 CBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)C(=O)O)cc1 1597112382 MVUWCCSHOQPNFR-UHFFFAOYSA-N 295.251 -0.744 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@H](N)CCC(=O)O)n1 1600183210 VFKTZBRECAARES-MRVPVSSYSA-N 267.289 -0.271 50 20 CBGD Cc1ncc2c(n1)CCC[C@H]2NC(=O)NNC(=O)C(=O)O 1600749849 GUACQZMUHVUTSF-SECBINFHSA-N 293.283 -0.423 50 20 CBGD O=C(O)C[C@H]1C(=O)NCCN1S(=O)(=O)CCCCl 1601939846 FIAQJNKOVMOZRS-ZETCQYMHSA-N 298.748 -0.780 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@H](C)CC(=O)O)n[nH]1 1607635539 BJDPPGRRYLPFHZ-ZCFIWIBFSA-N 268.273 -0.481 50 20 CBGD CC[C@H](C(=O)O)C(=O)NNC(=O)c1c[nH]nc1C 1609886749 TWDRVFOLIDJPFI-LURJTMIESA-N 254.246 -0.410 50 20 CBGD CC1=C/C(=C/NNC(=O)C[n+]2ccccc2)N=C1C(=O)O 1776058214 OAYXCXYOKPITIG-UHFFFAOYSA-O 287.299 -0.078 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1ccc(C(N)=O)cc1 49152487 VZDZEXWHLUAYSO-UHFFFAOYSA-N 286.313 -0.702 50 20 CBGD O=C(CNC(=O)c1cccnc1)NNC(=O)CC1CC1 122303021 BPNHDPYCJXVPDG-UHFFFAOYSA-N 276.296 -0.241 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H](C)n2cncn2)[nH]n1 151170781 MOPXTRVQVAJKTF-SSDOTTSWSA-N 263.261 -0.668 50 20 CBGD COC(=O)CSCCC(=O)NNC(=O)C1CC1 263745384 HQKMXNGPPXHEDA-UHFFFAOYSA-N 260.315 -0.160 50 20 CBGD CC(=O)NNC(=O)C(=O)N1CCN(c2ccccc2)CC1 290973055 OYNSOKJBFZKKLJ-UHFFFAOYSA-N 290.323 -0.498 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnc2n1CCCC2 371014669 ARKOFIULWSYSNF-UHFFFAOYSA-N 265.317 -0.458 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCN2CCOC2=O)cn1 491510224 ZRVLQQXEXTUDBK-UHFFFAOYSA-N 281.272 -0.977 50 20 CBGD Cc1nn(C)cc1[C@@H](C)NC(=O)c1cccc(B(O)O)c1 584940250 RXCVTWHDHPPCOS-SECBINFHSA-N 287.128 -0.101 50 20 CBGD CN(C(=O)c1ccc(B(O)O)c(F)c1)[C@@H]1CCOC1 584942703 CVMCFLWUTSWJRZ-SECBINFHSA-N 267.065 -0.634 50 20 CBGD CCC(=O)N1CC[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1 584959216 DXMHEQGHEUCHFS-GFCCVEGCSA-N 290.128 -0.893 50 20 CBGD C[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1CO 584970029 KUAHKKHUERADJA-ZWNOBZJWSA-N 277.129 -0.401 50 20 CBGD COCC(C)(C)CNC(=O)c1cc(B(O)O)ccc1F 584992251 NKMPAJAVWWHASZ-UHFFFAOYSA-N 283.108 -0.092 50 20 CBGD CC[C@@H](O)CNC(=O)c1cc(B(O)O)ccc1F 584998518 AGTOKFJFPSGQDN-MRVPVSSYSA-N 255.054 -0.994 50 20 CBGD CC[C@@H](C)C[C@H](CO)NC(=O)c1ccc(B(O)O)cc1 585003890 TZUUMKVXRNQUSP-ZWNOBZJWSA-N 279.145 -0.107 50 20 CBGD OB(O)c1ccc(CNC[C@]2(O)CCSC2)cc1 585027095 WIEXWCBPJRJIIY-GFCCVEGCSA-N 267.159 -0.676 50 20 CBGD C[C@@H]1C[C@@H](NCc2ccc(B(O)O)o2)CN1C1CC1 585027939 BDTDLKRIKZECDV-NXEZZACHSA-N 264.134 -0.326 50 20 CBGD CC[C@H](NCc1ccc(B(O)O)cc1F)[C@@H](O)C(F)F 585043967 WDLGAWUXQICPKM-WDEREUQCSA-N 291.078 0.000 50 20 CBGD C[C@H](O)C1(NCc2ccc(B(O)O)cc2F)CC1 585049963 NMHSTPQCOKDRPZ-QMMMGPOBSA-N 253.082 -0.492 50 20 CBGD CCOc1ccc(S(=O)(=O)NCB(O)O)c(C)c1 585055677 HAJBUBUMKPHZOX-UHFFFAOYSA-N 273.119 -0.316 50 20 CBGD O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCB(O)O 585061538 UYKWEKLNVKLDFO-ZZXKWVIFSA-N 290.128 -0.335 50 20 CBGD O=C(NCCOCC1CC1)NNC(=O)C(=O)N1CCCC1 731119136 NRFSVSABPQWCJU-UHFFFAOYSA-N 298.343 -0.634 50 20 CBGD CC(CS(=O)(=O)c1ccc(C)cc1)=NNC(=O)C(N)=O 734297037 YPQBLSNUHHZSTF-UHFFFAOYSA-N 297.336 -0.254 50 20 CBGD COCCN1CC[C@@H](NC(=O)NNC(=O)C2CCC2)C1 736663833 CGYNKLHGQSVPOK-LLVKDONJSA-N 284.360 -0.162 50 20 CBGD CN(CCN1CCCC1=O)CC(=O)NNC(=O)C(C)(C)C 744399410 MCLVIPOOCGXMKN-UHFFFAOYSA-N 298.387 -0.266 50 20 CBGD NC(=O)c1csc(C(=O)NNC(=O)N2CCOCC2)c1 745996062 KZXNPLSYBKLPRL-UHFFFAOYSA-N 298.324 -0.466 50 20 CBGD O=C(NN=Cc1cnc2cnccn12)C(=O)N1CCCC1 746370951 SSQNFWXFRBVPPK-UHFFFAOYSA-N 286.295 -0.198 50 20 CBGD COCCOc1ccc(NC(=O)NNC(=O)CO)cn1 755887275 PDOUIMGXSAMYHN-UHFFFAOYSA-N 284.272 -0.748 50 20 CBGD N#CCOc1cc(F)ccc1NC(=O)NNC(=O)CO 757682790 PZFFSSPMNSEPKY-UHFFFAOYSA-N 282.231 -0.127 50 20 CBGD COCC(=O)NNC(=O)Nc1cc(C)cn(C)c1=O 757714610 BBYGXWYMALECCW-UHFFFAOYSA-N 268.273 -0.507 50 20 CBGD COC(=O)c1cc(C)ccc1NC(=O)C(=O)NNC(C)=O 763515904 WWOIZBMHTDDDIF-UHFFFAOYSA-N 293.279 -0.113 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NC[C@@H]1CCCS1(=O)=O 765769208 TYRIIDDRKUIHDS-QMMMGPOBSA-N 291.373 -0.060 50 20 CBGD C[C@H](O)C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772885333 ZOGCCCITZIWNPY-ZETCQYMHSA-N 299.714 -0.516 50 20 CBGD O=C(CN1CCCS1(=O)=O)NNc1ccccn1 777472919 LNDQRZVAHLXLKU-UHFFFAOYSA-N 270.314 -0.440 50 20 CBGD COC(=O)CNC(=O)NNC(=S)NCC(C)C 779720549 KIATYKDIKGPXNP-UHFFFAOYSA-N 262.335 -0.506 50 20 CBGD COc1cccc(NNC(=O)c2cn(C)c(=O)nc2O)n1 780773371 UWJLFZGQQBSAMF-UHFFFAOYSA-N 291.267 -0.354 50 20 CBGD CN(CC(=O)NNc1ncncc1Cl)S(C)(=O)=O 781819748 JYQYCIKOORGBTC-UHFFFAOYSA-N 293.736 -0.536 50 20 CBGD CCN(CC)CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 792853062 CFNOLNWHNLLOLE-NSHDSACASA-N 291.417 -0.180 50 20 CBGD CO[C@@H](C(=O)NNC(=O)c1ccccn1)c1cnn(C)c1 798820325 XZXHBPZPNYASHQ-LLVKDONJSA-N 289.295 -0.036 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CC[C@H]1C(N)=O 816823891 JTUGPSIBPVONFD-HTQZYQBOSA-N 264.285 -0.702 50 20 CBGD CCN(CCO)NC(=O)/C=C1/SCC(=O)N1C 823893517 LPYPRGOJBWNJNH-UXBLZVDNSA-N 259.331 -0.622 50 20 CBGD CCOC(=O)c1cc(C(=O)NNC(=O)CN(C)C)[nH]c1C 825708232 DZDVSHFUVLDLPH-UHFFFAOYSA-N 296.327 -0.178 50 20 CBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CO1 827258676 CLMZNRUQAPWVAS-IMSYWVGJSA-N 271.317 -0.081 50 20 CBGD CC(C)C[C@@H](C(N)=O)C(=O)NNC(=O)N1CCN(C)CC1 839735336 YIAHCVVWQWDAQO-JTQLQIEISA-N 299.375 -0.878 50 20 CBGD C=C(CN(C)C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843971743 RIPKWIZNDSGFNA-UWVGGRQHSA-N 255.318 -0.323 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CCN(Cc2nc[nH]n2)CC1 846525980 YQAYZQDONCQONC-LUAWRHEFSA-N 290.327 -0.107 50 20 CBGD O=C(NNC(=O)C1CC2(CC2)C1)C(=O)NC1CC1 854291580 FZFOQUMYTNTOHR-UHFFFAOYSA-N 251.286 -0.397 50 20 CBGD COC[C@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)CCO1 858704964 SBOJGLTVYVTJLZ-SECBINFHSA-N 283.288 -0.889 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C)n1C 862448441 DQTGWOXBWMJWFD-SNVBAGLBSA-N 278.312 -0.318 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)nc1C 862461790 RHEJTWUMIVWAAW-JTQLQIEISA-N 276.296 -0.262 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cn[nH]c1)[C@H](C)S(C)(=O)=O 862470766 VWKZHBKUEHJWFO-RQJHMYQMSA-N 288.329 -0.760 50 20 CBGD COC(=O)N[C@H](C(=O)NNC(=O)c1cn[nH]c1)C(C)C 862471703 KYUINPPVYGMXRJ-QMMMGPOBSA-N 283.288 -0.449 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C1[C@@H]2CCC[C@@H]12 863462282 ATIRAXABIOYDIW-RNFRBKRXSA-N 260.315 -0.776 50 20 CBGD CC[S@](=O)CCNCc1cccc(B(O)O)c1 863888217 KNISUNVNDKPTAX-KRWDZBQOSA-N 255.148 -0.775 50 20 CBGD CN1CC[C@@H]2CN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]2C1 868450374 FCUWNJMVTWSPLV-OLZOCXBDSA-N 288.156 -0.610 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)n[nH]1 869014225 FAUYCMWWUOLNTG-YUSALJHKSA-N 278.312 -0.167 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1O[C@@H](C)C[C@H]1C 869904528 AEEJNIULMKIQRW-WCABBAIRSA-N 274.317 -0.390 50 20 CBGD CO[C@H]1CCCN(C(=O)NNC(=O)c2cccnn2)C1 883851045 KHOUOEHAMWUFOF-VIFPVBQESA-N 279.300 -0.058 50 20 CBGD C#CCSCC(=O)NNc1nnc(C)c(O)n1 895559110 ZVRUGQZLDWEEKM-UHFFFAOYSA-N 253.287 -0.305 50 20 CBGD O=C(NNC(=O)c1cccc2c1OCC2)C(=O)NC1CC1 929449982 UAUHCXZBOYFOOA-UHFFFAOYSA-N 289.291 -0.339 50 20 CBGD O=C(CN1CCn2cccc2C1)NNC(=O)C1CC1 932528609 JHGQPYUPKWVVRX-UHFFFAOYSA-N 262.313 -0.139 50 20 CBGD O=C(C[C@@H]1COC(=O)C1)NNC(=O)c1cc[nH]n1 1118781504 LVGJVXHTRSOECE-LURJTMIESA-N 252.230 -0.876 50 20 CBGD CC(Cn1cncn1)=NNC(=O)[C@@H]1CCC(=O)N1 1118948927 HZEBFHLMTMECHJ-QMMMGPOBSA-N 250.262 -0.951 50 20 CBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cncs1 1317925927 ZCQLCIAHRAJWBR-LURJTMIESA-N 289.338 -0.661 50 20 CBGD COC(=O)c1sccc1NC(=O)C(=O)NNC(C)=O 1320234639 JPDVUGNUDNVGED-UHFFFAOYSA-N 285.281 -0.360 50 20 CBGD CC(=NNC(=O)CN(C)C)C1CCS(=O)(=O)CC1 1320445018 DMXIVRKZQOOIMR-UHFFFAOYSA-N 275.374 -0.135 50 20 CBGD CNC(=O)CCCC(=O)NNC(=O)Cc1cccnc1 1320496557 XXJXYHUAALVLFR-UHFFFAOYSA-N 278.312 -0.312 50 20 CBGD C#CCCCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1320757461 DVBWUSTWSPZREN-VIFPVBQESA-N 287.341 -0.693 50 20 CBGD CO[C@H](C)CCC(=O)NNC(=O)C(=O)Nc1ccccn1 1323673315 WOKWDECUJXSNOY-SECBINFHSA-N 294.311 -0.017 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc2n(n1)CCCC2 1329038571 WCTMYWBTLNFPHX-UHFFFAOYSA-N 293.327 -0.495 50 20 CBGD CC(=O)N1CC[C@@H](NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1 1329492223 SNHUUKMGDOHCKE-JMJZKYOTSA-N 298.343 -0.637 50 20 CBGD CCOCC(=O)NNC(=O)NCc1cn(CC)nn1 1330723963 FNEVHTZURVYATG-UHFFFAOYSA-N 270.293 -0.835 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CCCN(C(N)=O)C1 1332366683 MRSGWBSJDZKEFC-VIFPVBQESA-N 258.322 -0.878 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)N1CC=C(C#N)CC1 1337474173 XPXYLJNOWHAWER-QMMMGPOBSA-N 257.315 -0.394 50 20 CBGD O=C(NNC(=O)C1CCC1)C(=O)Nc1ccccn1 1339434751 SDIBHMORGOFQAY-UHFFFAOYSA-N 262.269 -0.032 50 20 CBGD CNC(=O)NNC(=O)[C@]1(N(C)C)COc2ccccc2C1 1520824463 KGQCBSDCADYSAJ-CQSZACIVSA-N 292.339 -0.118 50 20 CBGD CCN(CCO)NC(=O)c1cnn2c1NC[C@H](C)C2 1548723553 VBHFEDJMEQFQAH-VIFPVBQESA-N 267.333 -0.096 50 20 CBGD O=C(NN=Cc1csnn1)[C@H]1CN2CCC[C@H]2CO1 1549319592 WARPVSWLWCAYPC-VHSXEESVSA-N 281.341 -0.149 50 20 CBGD CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1F 1573538030 TZINNWRVANYPKO-UHFFFAOYSA-N 264.220 -0.213 50 20 CBGD N[C@H]1C[C@@H](C(=O)NNC(=O)CNC(=O)c2cccs2)C1 1574287757 XOTADRYOJFFRJU-OCAPTIKFSA-N 296.352 -0.637 50 20 CBGD C[C@@]1(C(=O)NNC(=S)Nc2ccccn2)C[C@@H](O)CN1 1576351134 WXHNVFWTKUKUMX-PELKAZGASA-N 295.368 -0.488 50 20 CBGD OB(O)[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 1593498382 LXWJEMNBVMKSPF-LLVKDONJSA-N 273.105 -0.085 50 20 CBGD COc1nc(Cl)c(C=NNC(=O)NCC(=O)O)n1C 1599730890 XZFIFWVICNBMIB-UHFFFAOYSA-N 289.679 -0.200 50 20 CBGD Cc1cc(NC(=O)C(=O)NNC(=O)C2CC2)c(C(=O)O)[nH]1 1600251165 WFNYGDFSCLNNCZ-UHFFFAOYSA-N 294.267 -0.483 50 20 CBGD C[C@@H](C(=O)O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 1602805018 MQGOAQXEDXXPDB-ZCFIWIBFSA-N 280.236 -0.103 50 20 CBGD C[C@@]1(C(=O)NNC(=O)CSCC(=O)O)CCCO1 1603292920 SMDHXVNTBHNDOR-JTQLQIEISA-N 276.314 -0.479 50 20 CBGD O=C(O)CC1CC(=NNC(=O)[C@@H]2CCC(=O)N2)C1 1608690752 YLELBQFYMSYYQV-XDKWHASVSA-N 253.258 -0.378 50 20 CBGD COC1(CNC(=O)NNC(=O)C(=O)O)CCCC1 1610227653 BSAZFINCGHXHIC-UHFFFAOYSA-N 259.262 -0.639 50 20 CBGD COCC[C@H](Cc1ccco1)NC(=O)NNC(=O)C(=O)O 1610255290 YZIRQRYUBVXFBF-MRVPVSSYSA-N 299.283 -0.358 50 20 CBGD CC(C)NC(=O)C(=O)NN=Cc1ccc(C(=O)O)nc1 1776027348 WAUMAHGJJUNRDM-UHFFFAOYSA-N 278.268 -0.246 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)C2CCOCC2)nn1 1776102236 KJMZWHQNUBUOOT-UHFFFAOYSA-N 281.272 -0.761 50 20 CBGD CCNC(=S)NNC(=O)c1ccc(-n2cnnn2)cc1 7679060 CCGGNJWQCHDOKK-UHFFFAOYSA-N 291.340 -0.209 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)C(C)(C)O)o1 278040623 VRRPRWZPQFQWCD-UHFFFAOYSA-N 270.241 -0.402 50 20 CBGD C=CCNC(=S)NNC(=O)C1(S(C)(=O)=O)CCC1 281403682 YUCZCYKPZMCTHY-UHFFFAOYSA-N 291.398 -0.365 50 20 CBGD CCN1CCO[C@@H](C(=O)NNC(=O)NCC(F)(F)F)C1 374031605 GJOJZMMFHPKRPW-SSDOTTSWSA-N 298.265 -0.400 50 20 CBGD CCO[C@@]1(C(=O)Nc2cccc(B(O)O)c2)CCOC1 405069417 YPSVUDINLCDTID-ZDUSSCGKSA-N 279.101 -0.500 50 20 CBGD O=C(N[C@@H]1CCN2CCCC[C@H]12)c1cccc(B(O)O)c1 584928210 BNBHGYASACDFRL-ZIAGYGMSSA-N 288.156 -0.277 50 20 CBGD CC(C)(O)[C@H]1CCCN1C(=O)c1cccc(B(O)O)c1 584964091 COQKDQOHIIWUGP-GFCCVEGCSA-N 277.129 -0.258 50 20 CBGD C[C@]1(CO)CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584964449 DXBZIMYHGGMWMZ-AWEZNQCLSA-N 295.119 -0.260 50 20 CBGD C[C@@H](CO)CN(C)C(=O)c1cc(B(O)O)ccc1F 584966878 BMEGLZRNLFAXTC-MRVPVSSYSA-N 269.081 -0.794 50 20 CBGD COC1(C)CN(C(=O)c2cc(B(O)O)ccc2F)C1 584968296 JZVKIDIBBSSGNK-UHFFFAOYSA-N 267.065 -0.634 50 20 CBGD Cc1nc(CCNC(=O)c2ccc(B(O)O)cc2)c(C)o1 584968624 ZPFMVRNUVQLYIW-UHFFFAOYSA-N 288.112 -0.056 50 20 CBGD CC(C)OCC[C@H](C#N)NC(=O)c1cccc(B(O)O)c1 584974400 OHCVOONDUDKDCB-CYBMUJFWSA-N 290.128 -0.197 50 20 CBGD C[C@@H](C[C@@H](C)O)NC(=O)c1ccc(B(O)O)c(F)c1 584974540 VZYIHJUUXVMIRG-JGVFFNPUSA-N 269.081 -0.605 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1F)[C@H]1CN(C)CCO1 585029155 WHVSJOPRCBBNLT-IINYFYTJSA-N 296.151 -0.686 50 20 CBGD Cc1ccc(CS(=O)(=O)NCB(O)O)c(F)c1 585059288 HVGGKDKRGSPFMZ-UHFFFAOYSA-N 261.083 -0.434 50 20 CBGD CCN(C)[C@@H](C(=O)NCB(O)O)c1ccccc1 585059755 AUXVFRYJBCWMJN-LLVKDONJSA-N 250.107 -0.192 50 20 CBGD CCCSCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729276307 BXSOMPAIXBMZKC-SSDOTTSWSA-N 297.402 -0.785 50 20 CBGD CCOCC(=O)NNC(=O)NCCN1CCOC[C@H]1C 731283415 KGVGEKVHFIBRCO-SNVBAGLBSA-N 288.348 -0.926 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)COc1cccnc1 732084151 OEKIYLPFUIDUHQ-UHFFFAOYSA-N 275.268 -0.047 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=S)N[C@H](C)COC 733948125 QOQNNMMECKJRBV-RKDXNWHRSA-N 293.389 -0.432 50 20 CBGD CCOC(=O)/C(C#N)=C\Nc1n[nH]c(C(=O)O)n1 737129285 HDABUVKOWKDKKZ-PLNGDYQASA-N 251.202 -0.115 50 20 CBGD COc1ccc(C(=O)CCC(=O)NNC(=O)CO)cc1F 753451638 GNZMWTLPTOBETN-UHFFFAOYSA-N 298.270 -0.063 50 20 CBGD CC[C@H](C(=O)NNc1nnc(C)c(O)n1)N(C)C 754449643 DKVPHWALSZOUKN-SSDOTTSWSA-N 254.294 -0.331 50 20 CBGD CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NNC(=O)C(C)C 765785633 ZGMHGWGFVSNFHJ-RKDXNWHRSA-N 270.333 -0.113 50 20 CBGD CO[C@H](C(=O)NNC(=O)C(=O)NC(C)C)C(C)C 771107677 XZRSOCBHLYTRIW-QMMMGPOBSA-N 259.306 -0.671 50 20 CBGD CCNC(=O)N(C)NC(=O)c1c[nH]cc(C)c1=O 781432048 PBFVPWIFUHWGEZ-UHFFFAOYSA-N 252.274 -0.011 50 20 CBGD Cn1cc([C@@H](CO)NS(=O)(=O)CBr)cn1 782473395 UDDHFFAYWLJJDD-SSDOTTSWSA-N 298.162 -0.275 50 20 CBGD Cc1ccoc1CC(=O)NNC(=O)C(=O)N1CCCC1 824876937 IAOHFYNTLFFCPN-UHFFFAOYSA-N 279.296 -0.100 50 20 CBGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@@H](O)C1CC1 825273578 JBEVPUDCHGQWOT-JTQLQIEISA-N 297.336 -0.604 50 20 CBGD C[C@@H]1SCC[C@H]1NC(=O)NNC(=O)C(=O)NC1CC1 828525452 RJYWRVOVVZJCDR-POYBYMJQSA-N 286.357 -0.511 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H](CC(C)C)C(N)=O 840236990 BEUHSMDRFYHGLU-MRVPVSSYSA-N 272.374 -0.185 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843640822 PYYDMOAMTDEFRW-BHNWBGBOSA-N 257.290 -0.917 50 20 CBGD CC(=O)CSCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843655497 VRSSYBFSRRPGAY-DTWKUNHWSA-N 274.342 -0.119 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@@H]1CCCC(=O)N1 843658755 VKXDRNSIWDIVKS-LPEHRKFASA-N 283.328 -0.382 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1nnc(O)o1 852189069 VEELBKSSTTUJBA-ZCFIWIBFSA-N 271.277 -0.847 50 20 CBGD O=C(C[C@@H]1CCC(=O)N1)NNC(=O)c1ccncc1 854118534 JRBZJCVYXOQUIZ-VIFPVBQESA-N 262.269 -0.489 50 20 CBGD CC[C@@H](C)NC(=O)CCNC(=O)NNC(=O)c1cn[nH]c1 858155153 BYNUAYCHBULFTQ-MRVPVSSYSA-N 296.331 -0.342 50 20 CBGD C=CC(C)(C)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858513284 KSGZLLJTSDMRPE-MRVPVSSYSA-N 268.317 -0.192 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)N1CCCCCC1 862454292 FAHYCSMSUUXMHZ-GHMZBOCLSA-N 296.371 -0.323 50 20 CBGD Cc1cc(C)c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)o1 862455377 FVOJYGXUJKNGFH-MRVPVSSYSA-N 265.269 -0.064 50 20 CBGD CCCC[C@@H](NNC(=O)[C@H]1CCC(=O)N1)C(=O)OC 863378951 LIYHDPOOJRXIMA-RKDXNWHRSA-N 271.317 -0.382 50 20 CBGD CNc1ccccc1C(=O)NNC(=O)CS(C)(=O)=O 863459164 NXSDCFOGIOSTIQ-UHFFFAOYSA-N 285.325 -0.466 50 20 CBGD COC(=O)N(C)NC(=O)NCCN1CCOC[C@H]1C 875235337 GEUQYHCPAOWNTQ-SECBINFHSA-N 274.321 -0.381 50 20 CBGD O=C(CN1CCNCC1)NNc1ccccc1[N+](=O)[O-] 876548035 RHWRPRCIURPIIQ-UHFFFAOYSA-N 279.300 -0.057 50 20 CBGD C=CC(=O)N(CC)CC(=O)NNC(=O)Cc1cccnc1 900572391 GISKVSOHNUSRQH-UHFFFAOYSA-N 290.323 -0.194 50 20 CBGD Cn1cnnc1COCC(=O)NNC(=O)C1CCCC1 1117704668 ITTGTDRIHICCPG-UHFFFAOYSA-N 281.316 -0.331 50 20 CBGD Cc1ncc(S(=O)(=O)NNC(=O)[C@H]2CCO[C@H]2C)[nH]1 1261480240 KFHOIBSCIZLOMB-XPUUQOCRSA-N 288.329 -0.547 50 20 CBGD CC(C)S(=O)(=O)CC(=O)NNC(=O)Cc1cccnc1 1318265469 RNYBBYJAQAUPQR-UHFFFAOYSA-N 299.352 -0.405 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCN1CCC[C@@H](C)C1 1318877054 ORPKLAOLVHXEOU-SECBINFHSA-N 286.332 -0.778 50 20 CBGD Cc1nc2ncnn2c(C)c1CCC(=O)NN(C)C(N)=O 1323345101 ADAVIUIMIRJCSE-UHFFFAOYSA-N 291.315 -0.285 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)[C@@H]1CCCOC1 1323606345 XKXCKYXNKDVCEO-JGVFFNPUSA-N 273.289 -0.695 50 20 CBGD C#CCN1CCC(C(=O)NNc2cnnn2C)CC1 1324334772 NZMMMWUULJNKOV-UHFFFAOYSA-N 262.317 -0.397 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC3(CCO3)CC2)N1 1334931385 SNHYHUWVEHDENY-SECBINFHSA-N 296.327 -0.739 50 20 CBGD NC(=O)c1ccc(NNC(=O)CC[C@H]2CCOC2)nn1 1340248002 BTEVYEJHOOFMCG-QMMMGPOBSA-N 279.300 -0.165 50 20 CBGD C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)c1cnn(C)c1 1343830133 VHJJMPIVIAPVSL-APPZFPTMSA-N 267.289 -0.601 50 20 CBGD Cn1ccc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)n1 1347634602 UCVAYDSJCQWKOX-SECBINFHSA-N 285.329 -0.760 50 20 CBGD CC(C)OC1(C(=O)NNC(=O)NCCN)CCC1 1575741036 MUYCSMMEFPUBFY-UHFFFAOYSA-N 258.322 -0.377 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cc2n(n1)CCC[C@H]2N 1576037977 SKOFWUGRRAWUFC-DTWKUNHWSA-N 267.333 -0.366 50 20 CBGD O=C(NNC(=O)[C@@]1(C(=O)O)CCCO1)[C@@H]1CCCCO1 1594783287 YMNSCTIZLBWZHY-QPUJVOFHSA-N 286.284 -0.663 50 20 CBGD CS(=O)(=O)CC(=O)NN=Cc1ccoc1C(=O)O 1599747205 JQPKRKMAJQYXQY-UHFFFAOYSA-N 274.254 -0.528 50 20 CBGD O=C(NNC(=O)C12CC(C(=O)O)(C1)C2)c1ccnnc1 1601553820 WPUKNCZCVSDYTG-UHFFFAOYSA-N 276.252 -0.508 50 20 CBGD O=CN1CCC[C@H]1C(=O)NNc1ccc(C(=O)O)cn1 1602663664 WLBSDAKUSTWPQO-VIFPVBQESA-N 278.268 -0.156 50 20 CBGD COCCCNC(=O)NNC(=S)NCCOC 64937356 XVZDXFUBAMFOAY-UHFFFAOYSA-N 264.351 -0.652 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](CC)OC 265785383 AASFANNURARYDK-VIFPVBQESA-N 273.333 -0.136 50 20 CBGD CO/N=C(/C(=O)NNC(=O)[C@H]1COCCO1)c1ccco1 266868389 CNFQLNSGBVWAMQ-BNXJGPFFSA-N 297.267 -0.807 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H](C)NC(=O)OC 270447293 CKPMKSUJDCZMEA-LURJTMIESA-N 260.319 -0.588 50 20 CBGD CC(=O)NNS(=O)(=O)c1cc(Cl)cnc1N 309318520 ZOTMUYXJNWEZPU-UHFFFAOYSA-N 264.694 -0.353 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 496364340 UEUUYBBDILTRMP-RQJHMYQMSA-N 272.305 -0.140 50 20 CBGD CC(C)COC[C@H](O)CNC(=O)c1ccc(B(O)O)cc1 584963119 VVPCUTWDZDJOGY-CYBMUJFWSA-N 295.144 -0.870 50 20 CBGD C[C@@H]1COCCN(C(=O)c2cc(B(O)O)ccc2F)C1 584966651 HEXZAARDXXYORL-VIFPVBQESA-N 281.092 -0.386 50 20 CBGD CN1CCC(C)(CNC(=O)c2ccc(B(O)O)cc2)CC1 584972068 MIMRFLBTROHZNP-UHFFFAOYSA-N 290.172 -0.172 50 20 CBGD CN(C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(B(O)O)cc1 584976781 MLBGLKHSVNOYST-CHWSQXEVSA-N 276.145 -0.421 50 20 CBGD C[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@]1(C)CO 585009205 SDYKUQUQONPPRV-QMTHXVAHSA-N 277.129 -0.543 50 20 CBGD CC(C)[C@@H](CCO)NCc1ccccc1B(O)O 585024797 DBBRRSZTNOZPKQ-CYBMUJFWSA-N 251.135 -0.137 50 20 CBGD CC(C)C(=O)NCCCNCc1ccccc1B(O)O 585031984 MZXWGQGHPMWJJS-UHFFFAOYSA-N 278.161 -0.382 50 20 CBGD OB(O)c1ccc(-c2noc([C@@H]3CCOC3)n2)cc1 585050480 AJVIQFOYGJTWKT-SECBINFHSA-N 260.058 -0.080 50 20 CBGD C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CC[C@H](B(O)O)C2)C1 585057849 MIBFJRKJVWILQL-AXFHLTTASA-N 290.194 -0.242 50 20 CBGD O=S(=O)(c1c[nH]c2ncccc12)N1CC[C@H](B(O)O)C1 585057924 OFZZLRPROURSFL-QMMMGPOBSA-N 295.129 -0.200 50 20 CBGD N#Cc1ccc(Cl)c(S(=O)(=O)NCB(O)O)c1 585059437 NPPVSBOZYSWLET-UHFFFAOYSA-N 274.494 -0.498 50 20 CBGD CN(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCB(O)O)cc1 585060250 CIFCNAQIBMRHGA-RYUDHWBXSA-N 262.118 -0.016 50 20 CBGD O=C(NCB(O)O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 585061113 PZCZJVTWXINJFC-MRVPVSSYSA-N 296.519 -0.179 50 20 CBGD C=CCOCC(=O)NNC(=O)C(=O)NC(CC)CC 740851838 YFMUYOODIPEWAZ-UHFFFAOYSA-N 271.317 -0.359 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)C[C@H]1CCOC1 749848798 RPSVGTBOQNVHID-SECBINFHSA-N 255.318 -0.488 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1[C@@H]2CCC[C@@H]12 758042864 BKXDIMHLLCSILJ-XLPZGREQSA-N 289.357 -0.882 50 20 CBGD O=C(NNC(=O)[C@@H]1CCSC1)C(=O)N1CCCC1 762167932 PPISMSSLUYBGPP-MRVPVSSYSA-N 271.342 -0.491 50 20 CBGD C[C@@H](C=NNC(=O)[C@@H](C)NS(C)(=O)=O)CCC#N 766018931 CEYDEJHHSOXNFO-RKDXNWHRSA-N 274.346 -0.034 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc(-n2cnnc2)cc1 768244533 LONVGEVQUSBJPG-UHFFFAOYSA-N 289.295 -0.201 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cnc(N(C)C)cn1 768409199 DJKJBBUUNYCYOB-UHFFFAOYSA-N 266.305 -0.151 50 20 CBGD CNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1N 769691492 VCIGGHICVAWGEN-UHFFFAOYSA-N 253.218 -0.249 50 20 CBGD CSC1(C(=O)NNC(=O)C(=O)NC2CC2)CCC1 786730909 CVPOLRRZDNFJDS-UHFFFAOYSA-N 271.342 -0.302 50 20 CBGD COC[C@H](C)CC(=O)NNC(=O)N1CCN(C)CC1 807380029 ADZMYTPLLKJDKT-SNVBAGLBSA-N 272.349 -0.353 50 20 CBGD CN(CC(=O)NCC(Cl)Cl)S(C)(=O)=O 808131845 WZAOIHSRMJLUST-UHFFFAOYSA-N 263.146 -0.202 50 20 CBGD CN1CCN(C(=O)NN=Cc2ccn(C)n2)CC1 814912119 JXGXZYIZDPTRMM-UHFFFAOYSA-N 250.306 -0.289 50 20 CBGD CCOC(=O)[C@@H](CC(=O)NN(C)[C@@H](C)CO)C(C)=O 823921884 DMXLAZWPAXPXRI-WPRPVWTQSA-N 274.317 -0.511 50 20 CBGD Cc1nccnc1C(=O)NNC(=O)N1CCOCC1 824621781 XGHGDPWASAYMHB-UHFFFAOYSA-N 265.273 -0.528 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCO[C@H](CF)C1 827258681 CMLQVYRMVMHFAA-IVZWLZJFSA-N 289.307 -0.178 50 20 CBGD CC(C)CC(=O)NNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 827315865 VXBLDCUUMYPGQH-DTWKUNHWSA-N 286.332 -0.181 50 20 CBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)O)cs1 831348416 KOKBYHSBWHFGHF-UHFFFAOYSA-N 280.283 -0.004 50 20 CBGD CO[C@@H]1COC[C@@H]1NC(=O)NNC(=O)C1CCCC1 838780402 ZYYJYPAHJZDUGT-VHSXEESVSA-N 271.317 -0.079 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN[C@H]1C[C@H](O)C1(C)C 846962376 XTDVOMUAUMTXMS-IUCAKERBSA-N 271.361 -0.071 50 20 CBGD COC(=O)CNC(=O)NN=C(C)c1cncnc1C 848407774 CKZNRGFBUJEIPX-UHFFFAOYSA-N 265.273 -0.019 50 20 CBGD CCOC(=O)/C(C#N)=C\N[C@@H]1CS(=O)(=O)C[C@@H]1OC 849175363 UWVMKWYKHFRYHF-ZLQFYDKZSA-N 288.325 -0.641 50 20 CBGD COC(=O)C[C@@H](C)CC(=O)NNC(=O)c1cc[nH]n1 855356565 UQDITRSYHNSQPI-ZETCQYMHSA-N 268.273 -0.240 50 20 CBGD Cn1nncc1NNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 857271553 PVFQMEWEJVUOKU-QMMMGPOBSA-N 280.332 -0.095 50 20 CBGD CN1C(=O)CN(CC(=O)NNC(=O)OC(C)(C)C)C1=O 858110818 JWHCTHXLEMZNDX-UHFFFAOYSA-N 286.288 -0.564 50 20 CBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNc2ncncc2Cl)O1 861183213 YVMDXQRXVGEXQM-NKWVEPMBSA-N 285.691 -0.394 50 20 CBGD CCOc1ncccc1C(=O)NNC(=O)COCCOC 869912712 NVAAQZQEEWOGHY-UHFFFAOYSA-N 297.311 -0.096 50 20 CBGD C[C@@]1(C(=O)NNC(=O)C2CCCC2)CCNC1=O 873991024 HQDSLWPAWLUYPR-GFCCVEGCSA-N 253.302 -0.150 50 20 CBGD COC(=O)N(C)NC(=O)N[C@H]1CCCN(C)C1=O 875343025 RAIIJUOGDLWEKO-ZETCQYMHSA-N 258.278 -0.480 50 20 CBGD C#CCCCC(=O)NNC(=O)CCC(=O)N1CCOCC1 887139175 DQKUROQJHWWEOH-UHFFFAOYSA-N 295.339 -0.424 50 20 CBGD C#CCSCC(=O)NNC(=O)c1cc(C)[nH]n1 897024372 NSIVJPHUCXQOLU-UHFFFAOYSA-N 252.299 -0.154 50 20 CBGD Cc1cc(C)nc(NNC(=O)c2cn(C)c(=O)n2C)n1 900076794 RREQZZDRCISUDX-UHFFFAOYSA-N 276.300 -0.112 50 20 CBGD O=C(CCN1CCOCC1)NNC(=O)c1ccncc1 912851711 BDGUYBBKIUMOKB-UHFFFAOYSA-N 278.312 -0.435 50 20 CBGD C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)CN1CCCC1=O 913731041 RKNSITACFLDYRX-PHIMTYICSA-N 296.371 -0.371 50 20 CBGD O=C(COC(F)(F)F)NNC(=O)C(=O)N1CCCC1 931246798 FABBSXJZVHMOHF-UHFFFAOYSA-N 283.206 -0.707 50 20 CBGD O=C(CCO)NNC(=O)Nc1nc2ccccn2n1 1116611208 WGNCYUQXQJOPIG-UHFFFAOYSA-N 264.245 -0.736 50 20 CBGD CN1CC[C@H]1CNC(=O)NNC(=O)c1ncccn1 1263142501 BYTGMLHEFCNZEJ-QMMMGPOBSA-N 264.289 -0.875 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cn1 1317763798 IYPATVDBLNNXET-UHFFFAOYSA-N 264.285 -0.324 50 20 CBGD CN(C)C(=O)NNC(=O)c1cc(C(N)=O)cs1 1318058498 VVIASBOAXVEQLJ-UHFFFAOYSA-N 256.287 -0.237 50 20 CBGD Cc1n[nH]cc1S(=O)(=O)NNC(=O)c1cnn(C)c1 1318568215 CBKZAHMOOCIDIK-UHFFFAOYSA-N 284.301 -0.925 50 20 CBGD COCCOCCNC(=O)NNC(=O)c1cnn(C)c1 1318920695 QDVPKOFIDDUARI-UHFFFAOYSA-N 285.304 -0.973 50 20 CBGD C[C@@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 1318967936 GSAIRHSSKZCDOJ-APPZFPTMSA-N 289.357 -0.450 50 20 CBGD CC(C)CC(=O)NNC(=O)NCc1cc(C(N)=O)no1 1319425864 NRZDVNNBJHCXGL-UHFFFAOYSA-N 283.288 -0.350 50 20 CBGD CC(C)(O)CCC(=O)NNC(=O)Cc1cc[nH]n1 1321080465 WHMAOQFEKZFTML-UHFFFAOYSA-N 254.290 -0.349 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C 1322247842 DMSOOCRMJPBXFV-HLTSFMKQSA-N 299.327 -0.307 50 20 CBGD COC(=O)C(=O)NN[C@@H](Cc1ccc(F)cc1)C(=O)OC 1324346258 ZGCSEQVWBRCRMG-JTQLQIEISA-N 298.270 -0.296 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cccc(CO)c2)N1 1329531504 UOPFZOSTKSEDSO-JTQLQIEISA-N 277.280 -0.782 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CCc2nncn2C1 1331203414 IVZPVYBGEAATSC-ZETCQYMHSA-N 268.346 -0.692 50 20 CBGD CC(C)(N)CCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 1575353783 CVKLTBAXUAWYKA-NSHDSACASA-N 292.405 -0.505 50 20 CBGD COCC[C@H](N)C(=O)NNC(=O)c1ccc(C#N)cc1 1578997778 KHOVIRMNPYNGTR-NSHDSACASA-N 276.296 -0.317 50 20 CBGD NCc1ncc(C(=O)NN=c2cc[nH]cc2F)cn1 1580354631 AQFVTKOOHZPRRU-UHFFFAOYSA-N 262.248 -0.352 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CC1)C1CCOCC1 1601552692 DWJFPMGYAUBFEG-UHFFFAOYSA-N 256.258 -0.575 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H](C(=O)O)C1CC1 1605814862 WYHBLBQZYQQHCK-VIFPVBQESA-N 278.268 -0.233 50 20 CBGD Cn1nncc1NNC(=O)c1cccc(-c2nn[nH]n2)c1 1606285885 BUNLARIGSJSCRS-UHFFFAOYSA-N 285.271 -0.248 50 20 CBGD CON(C(=O)c1cc(B(O)O)ccc1F)[C@H](C)CC(=O)O 1606986310 HIULEIXVLLFXMG-SSDOTTSWSA-N 299.063 -0.628 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 1608478072 SFSWKQUALJEYDQ-UIAUGNHASA-N 253.258 -0.554 50 20 CBGD O=C(O)CC(=O)NNC(=O)CNC(=O)c1cccs1 1608664142 GERDGCQSVOZPKA-UHFFFAOYSA-N 285.281 -0.900 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 42871478 WMHHNOCZWVQZKF-SSDOTTSWSA-N 293.345 -0.088 50 20 CBGD COCCS(=O)(=O)NNC(=O)c1cccn1C 110096846 FBOJXHTUEUDIMX-UHFFFAOYSA-N 261.303 -0.764 50 20 CBGD CC(C)N(C)CC(=O)NNC(=O)N1CCOCC1 195371079 ODACNQMDQRLHDK-UHFFFAOYSA-N 258.322 -0.600 50 20 CBGD CNC(=O)C1(C(=O)NNC(=S)NCCSC)CC1 271439828 PQJFMROGCCHQCB-UHFFFAOYSA-N 290.414 -0.629 50 20 CBGD C=C[C@@](C)(CCOC)C(=O)NNC(=O)C(=O)NC(C)C 275648038 BQPJJSYYSRTQQS-ZDUSSCGKSA-N 285.344 -0.113 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)C(C)(C)O)nc1 278049391 WTDDMXOMIVCVMH-UHFFFAOYSA-N 281.268 -0.600 50 20 CBGD NC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccccc2)O1 282880240 VHGGTBNPDOCINA-ZJUUUORDSA-N 292.295 -0.128 50 20 CBGD C[C@H](NC(=O)C(C)(C)C)C(=O)NNc1nnc[nH]1 293955787 PKBIOFIDGCWXAF-LURJTMIESA-N 254.294 -0.201 50 20 CBGD O=C(COc1ccccc1)NNC(=O)C(=O)N1CCCC1 299548848 KVZQJEHAGNLTCR-UHFFFAOYSA-N 291.307 -0.165 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCS(=O)(=O)NC 490695354 MWAVUBUKTKTHSH-BQYQJAHWSA-N 261.303 -0.904 50 20 CBGD O=C(/C=C/C1CCOCC1)NNC(=O)C(=O)N1CCCC1 491796917 NNBVWPQPFQJNPH-ONEGZZNKSA-N 295.339 -0.261 50 20 CBGD CC[C@H](C)[C@H](O)C(=O)Nc1cccc(B(O)O)c1 584912001 KBIFXODSGQXDCN-KWQFWETISA-N 251.091 -0.288 50 20 CBGD O=C(N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1CO)c1ccc(B(O)O)cc1 584962834 LBCMMDQOIWMZNC-CDGCEXEKSA-N 289.140 -0.497 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@@H](CCO)C1 584966112 UVYQAQZWNADKKH-VIFPVBQESA-N 281.092 -0.650 50 20 CBGD CCC(=O)N[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584972692 DSUNKMOKEWCQLO-LBPRGKRZSA-N 290.128 -0.893 50 20 CBGD O=C(N[C@H]1CC[C@@H](CO)C1)c1ccc(B(O)O)cc1 584995252 KBLWEFLOTUAPTD-SKDRFNHKSA-N 263.102 -0.743 50 20 CBGD CCN(C(=O)c1ccc(B(O)O)cc1)C1CCN(C)CC1 584997641 JBMMFMSUMQSHFL-UHFFFAOYSA-N 290.172 -0.077 50 20 CBGD OB(O)c1ccc(CNC2CCN(CC3CC3)CC2)o1 585016852 BJLZGOICHKYIIY-UHFFFAOYSA-N 278.161 -0.077 50 20 CBGD COCCOc1ncccc1NCc1ccc(B(O)O)o1 585029919 MAOFTFFKYITSQX-UHFFFAOYSA-N 292.100 -0.008 50 20 CBGD C[C@@H](CO[C@H]1CCOC1)NCc1ccccc1B(O)O 585030869 KKGFVPBGNUIVGW-AAEUAGOBSA-N 279.145 -0.350 50 20 CBGD CCOC[C@H](C)CS(=O)(=O)N1CC[C@@H](B(O)O)C1 585056785 WWYUUXAAXQJSMW-VHSXEESVSA-N 279.167 -0.463 50 20 CBGD O=C(NCB(O)O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 585062157 QZKFKXSKPRMJDG-UHFFFAOYSA-N 290.044 -0.478 50 20 CBGD O=C(NCB(O)O)c1cnn(-c2ccc(F)cc2)c1 585062392 HXCRUSKYEYRYOV-UHFFFAOYSA-N 263.037 -0.247 50 20 CBGD CCOCC(=O)NNC(=O)NCCn1ccnc1 731281365 IDIRTJQSOZTBSJ-UHFFFAOYSA-N 255.278 -0.750 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)CC(=O)OC(C)(C)C 733194836 QMEPNIOXNGKTPC-UHFFFAOYSA-N 285.344 -0.183 50 20 CBGD Cc1nonc1C(=O)NNC(=O)CNC(=O)c1ccco1 733929601 FGFXVADMIQCZIG-UHFFFAOYSA-N 293.239 -0.838 50 20 CBGD CSCCNC(=S)NNC(=O)C(=O)NC(C)C 752734220 PKWNFAXKMOTFAI-UHFFFAOYSA-N 278.403 -0.631 50 20 CBGD C#Cc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)nc1 755287358 ZUYDWHTYBYOWGL-UHFFFAOYSA-N 269.264 -0.210 50 20 CBGD COC[C@@H](C)CC(=O)NNc1ccc(C(N)=O)nn1 757393533 ZQXQOOYCTTZMAV-ZETCQYMHSA-N 267.289 -0.309 50 20 CBGD CCO[C@H]1CCCC1=NNC(=O)[C@H](C)NS(C)(=O)=O 766446388 HRGYNKZTUMRJML-WPRPVWTQSA-N 291.373 -0.015 50 20 CBGD CCN(CC(=O)NNC(=O)C1CC1)C[C@@H](O)C(F)(F)F 778204908 ZBTJXDVDRXDBCS-MRVPVSSYSA-N 297.277 -0.211 50 20 CBGD CNC(=O)NC(=O)COC(=O)/C(C#N)=C/C1CC1 786674894 YJVIBJBXQSSXAS-XBXARRHUSA-N 251.242 -0.155 50 20 CBGD CC[C@@H](C)OCC(=O)NNC(=O)N1CCN(C)CC1 788165540 CNYOVPWTRNRKQU-SNVBAGLBSA-N 272.349 -0.210 50 20 CBGD COCCN1CN(C(=O)NNC(=O)C2CCCC2)CC1=O 801054264 AGJBFPLWOXFEDM-UHFFFAOYSA-N 298.343 -0.335 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@@]1(O)CCSC1 802025433 GNKAMOLWXAOFRJ-LLVKDONJSA-N 282.325 -0.476 50 20 CBGD C=C[C@H](O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 816831346 OXLUFPSIRAYBFX-VIFPVBQESA-N 278.264 -0.234 50 20 CBGD O=C(C[C@@H]1CC(=O)N1)NNC(=O)NCCc1cccs1 823810656 PLCMHYDISNJGRY-QMMMGPOBSA-N 296.352 -0.100 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CCc2ncncc2C1 823893503 LFLVAEDGNBPTPJ-SNVBAGLBSA-N 264.329 -0.073 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCN(C)[C@@H]1C 843792128 IDPAKTNKSYNUEO-RKDXNWHRSA-N 265.317 -0.181 50 20 CBGD CN1C(=O)CC[C@H]1CC(=O)NNC(=O)[C@H]1CCCCO1 854682618 CRTQQIQKCWZEMW-VHSXEESVSA-N 283.328 -0.286 50 20 CBGD CO[C@@H]1CCCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858698428 ZSEITGZXNVGJTJ-BDAKNGLRSA-N 284.316 -0.883 50 20 CBGD CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862461473 POAPAFLWMQLLDL-IUCAKERBSA-N 284.360 -0.421 50 20 CBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1csc(N)n1 863146534 WVOPOIGAEJBRFK-ZCFIWIBFSA-N 267.314 -0.156 50 20 CBGD CC(C)n1cc(C=NNC(=O)CS(C)(=O)=O)cn1 863189283 HCSAZFRHZVUKAM-UHFFFAOYSA-N 272.330 -0.041 50 20 CBGD CCC1=C(C(=O)NNC(=O)CS(C)(=O)=O)CCCO1 863464967 NKIOKBIJZAZUCI-UHFFFAOYSA-N 290.341 -0.347 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)cc1)[C@H](O)C(F)(F)F 877693967 WFTRJRSGFZQHGI-XCBNKYQSSA-N 277.051 -0.232 50 20 CBGD Cn1cc(NC(=O)NNC(=O)C2CCOCC2)cn1 878041448 UWUUABFLGFIEFZ-UHFFFAOYSA-N 267.289 -0.001 50 20 CBGD C=CCNC(=S)NNC(=O)c1cn(C)nc1OC 883955588 BEFJAXFAUKXJIS-UHFFFAOYSA-N 269.330 -0.276 50 20 CBGD C#CCCCC(=O)NNC(=O)c1cn(CCOC)nn1 887150396 JEJKSWVNHWHSDH-UHFFFAOYSA-N 279.300 -0.511 50 20 CBGD CC[C@H](O)[C@@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 900455467 XCTOVTXNKGCZIA-BDAKNGLRSA-N 271.317 -0.837 50 20 CBGD CC(=O)N[C@@H](CC(C)C)C(=O)NN(C)C[C@H](C)O 910151676 IEYBZVURGSFFLM-ONGXEEELSA-N 259.350 -0.119 50 20 CBGD COC1(OC)CC(NC(=O)c2ccc(B(O)O)cc2)C1 911050259 UCWWIBVLESLVPW-UHFFFAOYSA-N 279.101 -0.752 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](CCN)C1 923485585 WCGZALHVCLVRJZ-ZJUUUORDSA-N 256.350 -0.397 50 20 CBGD OB(O)c1cccc(-c2noc([C@H]3C[C@@H](O)C3)n2)c1 924145553 FANUBRUMTBGEBK-WAAGHKOSSA-N 260.058 -0.345 50 20 CBGD CC[C@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)N(C)C 1116293913 LZTCRDVRFJUTMI-SECBINFHSA-N 293.327 -0.492 50 20 CBGD CCc1cccnc1C(=O)NNC(=O)C(=O)NC1CC1 1116433061 ZWHRPKXBZSHXLG-UHFFFAOYSA-N 276.296 -0.316 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cnn(-c2ccccc2)n1 1116598351 BTFXPBMTYXDAOE-UHFFFAOYSA-N 288.267 -0.627 50 20 CBGD Cn1cncc1CCC(=O)NNC(=O)C(=O)N1CCCC1 1116866128 SWPGUWXOMALIJM-UHFFFAOYSA-N 293.327 -0.878 50 20 CBGD CNC[C@@H](C)NC(=O)NNc1nc(O)c2cnn(C)c2n1 1118482885 SCYIPGHPJRTYRU-ZCFIWIBFSA-N 294.319 -0.697 50 20 CBGD C[C@@H](O)CN(C)NC(=O)C(C)(C)S(C)(=O)=O 1119645984 YLOZDUICQLCOBM-SSDOTTSWSA-N 252.336 -0.847 50 20 CBGD N#C[C@@]1(F)CCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1261791998 ITYNVTSZQYDVNO-JTQLQIEISA-N 266.236 -0.298 50 20 CBGD NC(=O)N1CCC[C@@H](C(=O)NNc2ncc(F)cn2)C1 1320326146 LXZLAKKIFCDVEF-SSDOTTSWSA-N 282.279 -0.151 50 20 CBGD Cc1ccncc1NC(=O)C(=O)NNC(=O)CN(C)C 1321153643 BHYFLDUVUBRLEQ-UHFFFAOYSA-N 279.300 -0.962 50 20 CBGD COCC1(C(=O)NNC(=O)c2cnn(C)c2)CCOCC1 1324598824 KUKPEAXLQAIPMT-UHFFFAOYSA-N 296.327 -0.376 50 20 CBGD O=C(NNC(=O)[C@@]1(F)CCOC1)[C@H]1CCCCO1 1324745432 WUYFTNCHFBUURO-LDYMZIIASA-N 260.265 -0.169 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(C)n1 1326543490 MUHWMDUEFKTCRV-UHFFFAOYSA-N 266.257 -0.878 50 20 CBGD C=C[C@H](C)ONC(=O)NNC(=O)c1cnn(C)c1 1329645506 AZSOQIIHCNGPPO-ZETCQYMHSA-N 253.262 -0.130 50 20 CBGD O=C(NNC(=O)N1CCCOCC1)c1cccnn1 1331305383 GHIHLVPQIKTLCW-UHFFFAOYSA-N 265.273 -0.447 50 20 CBGD COc1nn(C)cc1C(=O)NNC(=O)Cc1cc(C)[nH]n1 1331955880 NWGZLJLOCPTQEU-UHFFFAOYSA-N 292.299 -0.536 50 20 CBGD CN(C)CC(=O)NNC(=O)NC1(C(F)(F)F)CC1 1333352886 YRFQBVIVSGJTIG-UHFFFAOYSA-N 268.239 -0.027 50 20 CBGD CON=CC(=O)NNC(=O)c1nnc(O)c2ccccc12 1343225212 UNFOLXRMVWIDFV-UHFFFAOYSA-N 289.251 -0.271 50 20 CBGD Cn1ncc(C(=O)NNc2nc3ccccn3n2)c1N 1343569100 REVIXKKNTVOGGO-UHFFFAOYSA-N 272.272 -0.198 50 20 CBGD NC(=O)COC1CCN(S(=O)(=O)CCCCl)CC1 1349768803 XLPUPVIOLNWUFL-UHFFFAOYSA-N 298.792 -0.089 50 20 CBGD O=C(NCc1ccco1)NNC(=O)[C@@H]1CCNC1=O 1350606341 SOWRMRSENBBPJI-MRVPVSSYSA-N 266.257 -0.754 50 20 CBGD C[C@H](CC(=O)NNC(=O)[C@H]1CCN1)n1cccn1 1575927569 ZZMUHSJXZNGKPM-RKDXNWHRSA-N 251.290 -0.657 50 20 CBGD O=C(NNC(=O)[C@H]1CCN1)[C@@H]1CCc2c[nH]nc2C1 1580733295 RBHCIVCNCIPTJQ-VXNVDRBHSA-N 263.301 -0.976 50 20 CBGD C[C@H](CO)N(C)NC(=O)C1(C(=O)O)CCSCC1 1589073116 IKHFBNMBQYGZSK-MRVPVSSYSA-N 276.358 -0.072 50 20 CBGD CN(NC(=O)c1cc(-c2nn[nH]n2)cn1C)C1CC1 1591154476 SKEBOBGQKRURNQ-UHFFFAOYSA-N 261.289 -0.056 50 20 CBGD CN1C[C@H](C(=O)NNc2ncccc2C(=O)O)CC1=O 1593772872 SQHZNWIFWMNPLW-SSDOTTSWSA-N 278.268 -0.299 50 20 CBGD CC[C@H](C(=O)O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 1594755569 MRFCZXWWENJFDR-SFYZADRCSA-N 295.299 -0.901 50 20 CBGD CN1C[C@@H](C(=O)NNc2ccc(C(=O)O)cc2F)NC1=O 1606197963 PFQYGNZFTSUCSB-VIFPVBQESA-N 296.258 -0.009 50 20 CBGD C[C@@]1(CNC(=O)NNC(=O)C(=O)O)CCO[C@H]1C1CC1 1609821822 PMJFFOGFUJQAHU-UFBFGSQYSA-N 285.300 -0.393 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cnn(-c2ccccc2)c1 49275346 LPXKUJGJRMOKBI-UHFFFAOYSA-N 295.324 -0.005 50 20 CBGD C/C=C/C=C/C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 126048336 VPGPXUJVWIVTDR-RGZCDDGESA-N 287.341 -0.364 50 20 CBGD C#Cc1ccccc1CC(=O)NNC(=O)C(=O)NC(C)C 290400469 DNJSBRVKXXNHKS-UHFFFAOYSA-N 287.319 -0.118 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccccn1 290766557 UYTYVRDCSYMRSB-UHFFFAOYSA-N 253.258 -0.494 50 20 CBGD COCC(=O)N(C)CC(=O)NN(C)C(=O)OC(C)(C)C 297739530 RXODKDXLEHBNOT-UHFFFAOYSA-N 289.332 -0.011 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CN(CC)CCO1 364702496 FPUXOIBGUXPHNX-SECBINFHSA-N 258.322 -0.600 50 20 CBGD N#C/C(=C\c1ccc(F)cc1)C(=O)NCC(=O)NCCO 490876571 KIDMXMWDLKASDP-YRNVUSSQSA-N 291.282 -0.043 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)c1nccnc1C(N)=O 493137372 BEGITGMILPSUBW-UHFFFAOYSA-N 281.272 -0.255 50 20 CBGD CCOc1ncccc1NC(=O)C(=O)NNC(=O)OC 495366670 GYLIYOPKZCHFSF-UHFFFAOYSA-N 282.256 -0.194 50 20 CBGD CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cccc(B(O)O)c1 584950930 NUVKXJJGNNZJCG-XQQFMLRXSA-N 289.140 -0.090 50 20 CBGD C[C@@H]1CN(C)C[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584959109 XNBQVVOGXREAHK-PRHODGIISA-N 280.108 -0.815 50 20 CBGD CO[C@]1(C)CCN(C(=O)c2ccc(B(O)O)cc2)C1 584997447 CITAHBLVIICJHJ-CYBMUJFWSA-N 263.102 -0.383 50 20 CBGD CC[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(B(O)O)cc1 585005422 HBCSJJKCXXGKRB-LBPRGKRZSA-N 290.128 -0.941 50 20 CBGD CC(C)(C)N1C[C@@H](NCc2ccccc2B(O)O)CC1=O 585026330 LSWYOQCCHYYMRP-LBPRGKRZSA-N 290.172 -0.145 50 20 CBGD C[C@H](Cn1cnnc1)NCc1ccc(B(O)O)cc1 585029769 BTNFNICQAFPNIQ-SNVBAGLBSA-N 260.106 -0.864 50 20 CBGD Cc1cc(Cl)ccc1S(=O)(=O)NCB(O)O 585055027 XGJWYRYYKOZIJC-UHFFFAOYSA-N 263.511 -0.061 50 20 CBGD Nc1nc(N2CC[C@@H](B(O)O)C2)cc(-n2cccn2)n1 585078594 HNYKXEJSZKBBPF-MRVPVSSYSA-N 274.093 -0.702 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cccc(O)c1 728437293 PJLVZFHUOLCOLB-MRVPVSSYSA-N 285.325 -0.220 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1CCc2c[nH]nc2C1 742583375 KOZXMSMUQZFGAU-VIFPVBQESA-N 295.343 -0.119 50 20 CBGD CC(C)NC(=O)CNC(=O)NNC(=O)Cc1ccncc1 747491358 UAQCVWNPYPCFRK-UHFFFAOYSA-N 293.327 -0.521 50 20 CBGD O=C(CO)NNC(=O)c1ccc(N2CCOCC2)c(F)c1 753445208 WIDPYWGBWRNIBT-UHFFFAOYSA-N 297.286 -0.584 50 20 CBGD Cc1nn(C)c2ncc(NC(=O)NNC(=O)CO)cc12 755847861 PMNPLVRDYBNLRR-UHFFFAOYSA-N 278.272 -0.578 50 20 CBGD CCc1cccc2c1N(C(=O)C(=O)NNC(=O)CO)CC2 764421185 GTMACEUHTBEJOR-UHFFFAOYSA-N 291.307 -0.722 50 20 CBGD COC(=O)NNC(=O)[C@H]1CCCCN1S(C)(=O)=O 765842887 WVAKRCWWUQUTMC-SSDOTTSWSA-N 279.318 -0.812 50 20 CBGD CC(C)NC(=O)NNS(=O)(=O)N1CC[C@@H](C)C1 777928094 IXHMAZGJIKIZDV-MRVPVSSYSA-N 264.351 -0.215 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)N1CC[C@@H](C)C1 782477913 CORWUXLOLHKDHM-MRVPVSSYSA-N 264.351 -0.261 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC(=O)N(CC2CC2)C1 789377325 HQYNBYYPFVYBCO-SECBINFHSA-N 282.344 -0.556 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C(C)(C)OC(C)=O 792353289 VVBNXOHUZNWQSU-ZETCQYMHSA-N 288.300 -0.183 50 20 CBGD CC(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 796768240 NNVWUKIZTVJDRG-UHFFFAOYSA-N 281.224 -0.081 50 20 CBGD CCN1C[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)CC1=O 802023225 OJTJRLACQNMWKV-SECBINFHSA-N 291.311 -0.475 50 20 CBGD CO[C@@H](C)[C@@H](C)NC(=O)NNC(=O)c1cnn(C)c1 811958631 FCEPSKYXPNVOAV-SFYZADRCSA-N 269.305 -0.213 50 20 CBGD O=C(O)CCNC(=O)NNC(=O)Cc1ccccn1 819492619 SRWYYWUZVUTJDG-UHFFFAOYSA-N 266.257 -0.571 50 20 CBGD CC(=O)N[C@@H](CC(C)C)C(=O)NN(C)[C@@H](C)CO 823934550 HMGMHUHDWOLKSN-ONGXEEELSA-N 259.350 -0.119 50 20 CBGD COC(=O)CSCCC(=O)NN(C)[C@H](C)CO 823964822 DZVOPRJQPMUXBY-MRVPVSSYSA-N 264.347 -0.374 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@H]1CCC(=O)N1C)C1CC1 824446604 OCCSCOQILIFTLJ-IONNQARKSA-N 284.385 -0.099 50 20 CBGD CN(NC(=O)[C@]1(c2ccccc2)CNC(=O)C1)C(N)=O 831525717 SEKXPMYSPYZQIF-ZDUSSCGKSA-N 276.296 -0.514 50 20 CBGD C[C@H]1CN(C2CC2)CC1=NNC(=O)NCC(=O)O 833627813 VDNGIIITYDIUCY-ZETCQYMHSA-N 254.290 -0.160 50 20 CBGD CCn1nc(C)c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1 843659538 JAIDVHAQEICOIQ-RKDXNWHRSA-N 281.316 -0.208 50 20 CBGD NC(=O)c1ccc(/C=C\C(=O)NNC(=O)C2CC2)o1 854179680 ALWNZKXKEYFSRB-XQRVVYSFSA-N 263.253 -0.051 50 20 CBGD C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)N1CCN(C)CC1 854379032 MAELCCHUWXWRQO-VXGBXAGGSA-N 297.403 -0.153 50 20 CBGD CO[C@@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 858493016 ZRZVWOHZNRJNTC-IUCAKERBSA-N 284.316 -0.980 50 20 CBGD CN(CC1CC1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858694407 NWPFANGILGTKST-QMMMGPOBSA-N 254.290 -0.652 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@]1(C#N)CC12CCCC2 863465883 LJRYVIKJZZMDKF-GFCCVEGCSA-N 299.352 -0.348 50 20 CBGD CSCCONC(=O)c1ccc(B(O)O)cc1 863880593 DELQEXBYDXQNTO-UHFFFAOYSA-N 255.104 -0.609 50 20 CBGD O=C(COc1ccccc1F)NNC(=O)[C@@H]1CCC(=O)N1 864020539 HFLBHLNDYYOSQW-VIFPVBQESA-N 295.270 -0.370 50 20 CBGD CCCCNC(=O)NNC(=O)[C@]1(C)CCNC1=O 874193311 RQBULTZKEPKHNA-LLVKDONJSA-N 256.306 -0.357 50 20 CBGD C[C@H]1COCC1=NNC(=O)[C@H]1CCS(=O)(=O)C1 884408707 PGXQHYIJHJCMTO-YUMQZZPRSA-N 260.315 -0.440 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H](c1cncn1C)N(C)C 887148192 RWLIQJVCHCKOLF-ZDUSSCGKSA-N 291.355 -0.026 50 20 CBGD CCN1CCC[C@@H]1CNC(=S)NNC(=O)c1ncon1 899575841 VBKNIBIYKINLBI-MRVPVSSYSA-N 298.372 -0.337 50 20 CBGD O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CC[C@@H](B(O)O)C1 902552662 RIUZWIDJDUYJAO-ZRUFSTJUSA-N 253.107 -0.123 50 20 CBGD CCC1(CC)NC(=O)N(CC(=O)NNC(C)=O)C1=O 912694137 XQRMJWCUXIIHFK-UHFFFAOYSA-N 270.289 -0.736 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NNC(=O)c1cn[nH]c1 920428148 ATGHVQXPXBRZEN-SECBINFHSA-N 281.316 -0.861 50 20 CBGD COCCN(C)NC(=O)COc1c(C)occc1=O 935910999 WHOAJBMOVZIUDO-UHFFFAOYSA-N 270.285 -0.064 50 20 CBGD O=C(NN=CC1CCOCC1)N[C@H]1CCS(=O)(=O)C1 1116378903 GNOCVEUNKWVQAF-JTQLQIEISA-N 289.357 -0.115 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1c[nH]c2ncccc12 1251213442 UNGTWZTZNPHDNS-UHFFFAOYSA-N 289.295 -0.152 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2CC23CCOCC3)N1 1261790573 PHUQQWSQUJYCIY-BDAKNGLRSA-N 296.327 -0.836 50 20 CBGD CC[C@H](CSC)NC(=O)NNC(=O)C(=O)OC 1320053371 NZKSVXPGZSKFMR-ZCFIWIBFSA-N 263.319 -0.369 50 20 CBGD COCc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)no1 1322096037 UAPZTFOKLWDJSG-UHFFFAOYSA-N 296.283 -0.796 50 20 CBGD CC[C@H](NC(=O)NNC(=O)C(=O)OC)C1CCOCC1 1323457093 XHVJAMCIGFUIKS-VIFPVBQESA-N 287.316 -0.305 50 20 CBGD Nc1cnnc(NNC(=O)[C@H]2CCCN2C=O)c1Cl 1328584768 RZEQWJQGCSYRJL-SSDOTTSWSA-N 284.707 -0.224 50 20 CBGD CCn1nncc1C=NNC(=O)[C@@H]1CCC(=O)N1 1329111586 SWWAWOAAQNYDOQ-QMMMGPOBSA-N 250.262 -0.973 50 20 CBGD O=C(NNC(=O)c1cccnn1)N[C@@H]1CCN(C2CC2)C1 1330846935 RIZLZSDCZDJEED-SECBINFHSA-N 290.327 -0.343 50 20 CBGD O=C(C[C@H]1COC(=O)C1)NNC(=O)c1ccc[nH]1 1333397413 FHMICWOEBZMHEN-SSDOTTSWSA-N 251.242 -0.271 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)o1 1336669880 PWUYODVEFNZUCO-SSDOTTSWSA-N 262.225 -0.809 50 20 CBGD O=C(NN=c1cc[nH]cc1)[C@H]1CCc2nncn2C1 1347805448 OEPYPAIEVVKKFQ-VIFPVBQESA-N 258.285 -0.199 50 20 CBGD COC(=O)c1cc(NNC(=O)[C@@H]2C[C@@H](O)CN2)ccc1F 1573938802 RLKUOTCIGDMWEZ-KCJUWKMLSA-N 297.286 -0.222 50 20 CBGD CCc1nc(C)ncc1C(=O)NNC(=O)CCN 1578291488 PFFVVBLUCXUHAU-UHFFFAOYSA-N 251.290 -0.543 50 20 CBGD CCn1cc(C(=O)NNC(=O)[C@@H]2CCN2)c(C)n1 1578344273 NSYHMBYYIHRAIK-VIFPVBQESA-N 251.290 -0.666 50 20 CBGD CC(C)(C)CN(CC(=O)O)C(=O)c1ccc(B(O)O)cc1 1588654227 ZTCBWUJKRKWTAN-UHFFFAOYSA-N 293.128 -0.061 50 20 CBGD CC(C)C(=O)NNC(=O)CN[C@]1(CC(=O)O)CCOC1 1590939453 VBXWZHSEUQQNQG-LBPRGKRZSA-N 287.316 -0.987 50 20 CBGD COCCN(C)c1ccc(C=NNC(=O)C(=O)O)cn1 1599231225 QPTBDOKORKBFKH-UHFFFAOYSA-N 280.284 -0.301 50 20 CBGD COc1nc(Cl)c(C=NNC(=O)C(=O)O)n1C 1599729604 BNBHNIZQVXUHFI-UHFFFAOYSA-N 260.637 -0.383 50 20 CBGD CCCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)n1C 1604222019 MLGSNIVMUSRYBY-UHFFFAOYSA-N 292.303 -0.441 50 20 CBGD CC[C@H](CN1CCCC1)NC(=O)NNC(=O)C(=O)O 1605025350 VHYQPJCEVPZUCG-MRVPVSSYSA-N 272.305 -0.724 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H](c1ncccn1)C1CC1 1608478430 YDTSBBHNIOOKDI-ZETCQYMHSA-N 279.256 -0.657 50 20 CBGD O=C(O)[C@@H]1C[C@H](O)CN1CCI 1608606142 FYOOZZGSINNNOQ-WDSKDSINSA-N 285.081 -0.059 50 20 CBGD CC(C)(C)[C@@H]1C[C@H](NC(=O)NNC(=O)C(=O)O)CCO1 1609654834 LVAAVEUTKBMEST-SFYZADRCSA-N 287.316 -0.005 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cccc(C(=O)N(C)C)c1 113426365 OKSYIQDLQVOEAJ-UHFFFAOYSA-N 292.339 -0.289 50 20 CBGD CNC(=O)NNC(=O)CNC(=O)c1ccc2c(c1)OCO2 139307334 LGTGZBVJTPZJGW-UHFFFAOYSA-N 294.267 -0.895 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCCOC2)[nH]n1 151183440 SFISYCBHRICKBA-MRVPVSSYSA-N 252.274 -0.094 50 20 CBGD CS(=O)(=O)CCC(=O)NNC(=O)CNc1ccccc1 264346948 XWOUMOXJVMESRA-UHFFFAOYSA-N 299.352 -0.319 50 20 CBGD COc1ccnc(NNC(=O)[C@H]2CC(=O)N(C)C2)n1 298264901 AHLJXFLOJBADQJ-ZETCQYMHSA-N 265.273 -0.593 50 20 CBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NNC(C)=O)C2 496101214 JAUBBPDGZSNEPA-GUBZILKMSA-N 267.285 -0.203 50 20 CBGD C[C@H](CNC(=O)c1ccc(B(O)O)cc1)Cn1ccnc1 584950639 RWHHUXNRFDSLIG-LLVKDONJSA-N 287.128 -0.371 50 20 CBGD C[C@@]1(CO)CCC[C@@H]1NC(=O)c1cc(B(O)O)ccc1F 584962085 HTLFAHXNXGSAAT-JSGCOSHPSA-N 295.119 -0.214 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2[C@@H]3COC[C@@H]3[C@@H]2C1 585010143 LELYFZIUOWOTPV-KPWCQOOUSA-N 287.124 -0.669 50 20 CBGD CCN1CCC[C@H](NCc2ccc(B(O)O)o2)C1 585018065 GNLKSUMJQTYNOK-JTQLQIEISA-N 252.123 -0.467 50 20 CBGD OCC1(CNCc2ccccc2B(O)O)CCOCC1 585029905 LUSIXZJPTPYBKL-UHFFFAOYSA-N 279.145 -0.755 50 20 CBGD Cc1cc2c(cc1S(=O)(=O)NCB(O)O)OCO2 585059577 SSWPTBHKZFOFLY-UHFFFAOYSA-N 273.075 -0.986 50 20 CBGD O=C(NCB(O)O)c1ccn(-c2c(F)cccc2F)n1 585061610 BEJZAIMZHIEIMU-UHFFFAOYSA-N 281.027 -0.108 50 20 CBGD COc1ccc2c(c1)C[C@@H](C(=O)NCB(O)O)CO2 585062593 UTGPKADWTFFRPT-SECBINFHSA-N 265.074 -0.626 50 20 CBGD O=C(NCc1ccc(F)cc1)C(=O)N1CC[C@@H](B(O)O)C1 585065941 KFSQKYJYSOWHLW-SNVBAGLBSA-N 294.091 -0.483 50 20 CBGD C=CCOCC(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 732262023 QSXANOTYKOJYEW-RYUDHWBXSA-N 299.371 -0.164 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H](NC(=O)O)C(C)C 737763457 YFBKFAHMFFWKAE-QMMMGPOBSA-N 290.320 -0.355 50 20 CBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ccnc(N(C)C)n1 740102791 FOZKQMRDUYODPD-JGVFFNPUSA-N 279.300 -0.205 50 20 CBGD CN(C)c1nccc(NNC(=O)c2nccnc2N)n1 740113938 LRLTVLMUIDORLT-UHFFFAOYSA-N 274.288 -0.328 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNc1ncnc2[nH]cnc12 743468257 AMUUWJSNIBWQNT-LURJTMIESA-N 277.288 -0.289 50 20 CBGD Cc1cnn(CCC(=O)NNC(=O)N2CCOCC2)c1 745996021 ITONUDSZZDWYNI-UHFFFAOYSA-N 281.316 -0.345 50 20 CBGD CCCNC(=O)NNC(=O)CC1(CS(C)(=O)=O)CC1 746838924 MAWLVTDOXJPRLI-UHFFFAOYSA-N 291.373 -0.058 50 20 CBGD C[C@@H](NC(=O)NNC(=O)Cc1ccncc1)C(=O)N(C)C 747495379 MMNAHOKXQAOPKP-SECBINFHSA-N 293.327 -0.569 50 20 CBGD CCC[C@@H](O)CC(=O)NNC(=O)C(=O)N1CCCC1 750276764 LUMZSJPYLWJMDX-SECBINFHSA-N 271.317 -0.693 50 20 CBGD CCC(=O)NNC(=O)Nc1cccc(C(N)=O)n1 757741004 RVCIHGZRVNKVPJ-UHFFFAOYSA-N 251.246 -0.257 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1cccc(F)c1F 764421170 GNIKGEKDUWLQQN-UHFFFAOYSA-N 273.195 -0.957 50 20 CBGD COC(=O)Cn1ccc(NC(=O)NNC(C)=O)n1 765188119 LIOXSTIRGVWPFL-UHFFFAOYSA-N 255.234 -0.771 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 770755771 IKDAPWHICZDZBR-WPRPVWTQSA-N 285.344 -0.136 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)COc1cc(C)on1 771900907 KRUUJODMHAIUPS-MRVPVSSYSA-N 299.283 -0.149 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@@H]1CCN(C)C1=O 772943911 DCADXXMDKYGOMS-JTQLQIEISA-N 291.307 -0.066 50 20 CBGD COC(=O)c1ccc(F)cc1S(=O)(=O)NNC(C)=O 775249389 LDNOTWGPKFMYOK-UHFFFAOYSA-N 290.272 -0.058 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H](C)c1nnnn1C1CC1 790725804 WVHNIRMISZCKFM-SSDOTTSWSA-N 297.319 -0.564 50 20 CBGD CO[C@@H](C(=O)NNC(=O)N(C)C)c1cnn(C)c1 798937115 JZMKNEXQBKVEHF-MRVPVSSYSA-N 255.278 -0.590 50 20 CBGD CCCNC(=O)NNC(=O)C[C@@H]1CCCC(=O)N1 813426314 VAZPOEUJEWBXKO-QMMMGPOBSA-N 256.306 -0.214 50 20 CBGD O=C(NN=C1CCS(=O)(=O)CC1)N1CCOCC1 814820903 GMUGBFCQSLYIDF-UHFFFAOYSA-N 275.330 -0.407 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C[C@H]1CCCOC1 814835730 ZWEYKMOFVYPOSI-RKDXNWHRSA-N 277.346 -0.547 50 20 CBGD COC(=O)[C@H]1C[C@H]2CC(=NNC(=O)C(=O)NC3CC3)[C@H]1C2 817322932 OTOHINOCRJYPRD-HGNGGELXSA-N 293.323 -0.044 50 20 CBGD CCN(CCO)NC(=O)CCCn1ccccc1=O 823860187 NFQPLVHJAQUVLB-UHFFFAOYSA-N 267.329 -0.026 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@]12CCC(=O)N1CCS2 823976747 IRSIOZZUGGNYPO-GZMMTYOYSA-N 273.358 -0.604 50 20 CBGD COC[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 825547413 LYGJRXAXNKQBSQ-DJLDLDEBSA-N 259.306 -0.223 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCC(C)(C)O 826537045 GZVJFUXHTYMVQI-IUCAKERBSA-N 273.333 -0.097 50 20 CBGD COC[C@H](CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)OC 826873355 LFCWWXZYMSGEFO-LPEHRKFASA-N 289.332 -0.597 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)CCn1cccn1 827300408 QNMJFELLBXDVDH-MNOVXSKESA-N 295.343 -0.019 50 20 CBGD COc1ccnc(NNC(=O)NC2CN(C(=O)O)C2)n1 829650080 OQRIPVQKIOPUJC-UHFFFAOYSA-N 282.260 -0.527 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 839723420 ABGGECJNCCISBF-PHDIDXHHSA-N 253.218 -0.407 50 20 CBGD CCOC(=O)NCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843973080 IWASOKSFPZFLKZ-YUMQZZPRSA-N 273.289 -0.695 50 20 CBGD C[C@@H]1[C@H](C(=O)NNc2nccn(C)c2=O)CCN1C 844135791 WNEKIOWOCUFLBP-RKDXNWHRSA-N 265.317 -0.436 50 20 CBGD C#C[C@H](CC)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 854070405 NEPFPHAACZQEFH-KOLCDFICSA-N 273.358 -0.221 50 20 CBGD CNC(=S)N(C)NC(=O)Cn1nc(C)cc1C 854927638 FCQCZEMLFLAKSD-UHFFFAOYSA-N 255.347 -0.033 50 20 CBGD CO[C@@](C)(C(=O)NNC(=O)c1cc[nH]n1)C1CC1 855356474 RVTWYSVFUATGLC-LLVKDONJSA-N 252.274 -0.014 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@@H]2CCC=CO2)N1 858377543 XNSOABLLOZAGGQ-IUCAKERBSA-N 282.300 -0.712 50 20 CBGD C=CC1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 858695822 HSMPSEDBPNJWKW-JTQLQIEISA-N 280.328 -0.096 50 20 CBGD CC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 862451651 OZTIIHKZHNSACW-LLVKDONJSA-N 289.291 -0.071 50 20 CBGD NC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2cn[nH]c2)C1 862470725 VFWAGELJELIFQO-HTQZYQBOSA-N 279.300 -0.538 50 20 CBGD OB(O)c1cccc(-c2noc(CC3OCCO3)n2)c1 863893376 TZPDQOMZZAMYTJ-UHFFFAOYSA-N 276.057 -0.668 50 20 CBGD COCCOCC(=O)NN[C@@H](C(=O)OC)c1cccnc1 871899035 KPABAAKFIRERFG-GFCCVEGCSA-N 297.311 -0.421 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCC[C@H]1F 872350716 DZOYMVULWBNTHH-NKWVEPMBSA-N 265.310 -0.082 50 20 CBGD CCc1cc(CNCc2cccc(B(O)O)c2)n[nH]1 877034041 WMNIGNGQHYWZDJ-UHFFFAOYSA-N 259.118 -0.058 50 20 CBGD CCN(CCO)NC(=O)c1c2c(nn1C)CCC2 911439236 MABQFTZCBJZENI-UHFFFAOYSA-N 252.318 -0.132 50 20 CBGD CCCNC(=O)NNC(=O)CS(=O)(=O)C(C)C 921038570 TYRSVWIFSAJKIV-UHFFFAOYSA-N 265.335 -0.450 50 20 CBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)c2cccn2C)nn1 1116286119 SAOCOGIGZJZGTL-MRVPVSSYSA-N 292.299 -0.869 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@H](C)c1ncn(C)n1 1116705300 CRKLQHFICFHEDC-SSDOTTSWSA-N 254.294 -0.138 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H]1CCCS1(=O)=O 1119912033 VIUJWSTYCHGGFE-VIFPVBQESA-N 272.326 -0.486 50 20 CBGD O=C(Cn1cc(C2CC2)nn1)NNC(=O)N1CCOCC1 1252956916 RRWIZGNNSQIRIY-UHFFFAOYSA-N 294.315 -0.772 50 20 CBGD COCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1324142260 CMLOOKLONYCDHX-QMMMGPOBSA-N 250.320 -0.875 50 20 CBGD Cc1ccc(C(=O)NNC(=O)c2cnn(C)c2)c(O)n1 1328652840 FXMCHWUKAYEISB-UHFFFAOYSA-N 275.268 -0.096 50 20 CBGD CC[C@H](C#N)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1329615727 LMEFAYJGOQLVIQ-HTQZYQBOSA-N 273.314 -0.882 50 20 CBGD COC1(C=NNC(=O)CS(C)(=O)=O)CCOCC1 1331722842 MLATUTGACMSDNC-UHFFFAOYSA-N 278.330 -0.671 50 20 CBGD COC(=O)c1ccc(C(=O)N2CC[C@H](B(O)O)C2)nc1 1335434892 YDHVRKKLHWGVEI-VIFPVBQESA-N 278.073 -0.443 50 20 CBGD O=C(NCCC(F)(F)F)NNC(=O)C(=O)NC1CC1 1339740436 JKFWIBAHWOKTLN-UHFFFAOYSA-N 282.222 -0.452 50 20 CBGD COC(=O)[C@H]1C[C@@H](C(=O)NNC(=O)[C@H]2CCCCO2)C1 1354899915 SCINHRWCWACXNP-KXUCPTDWSA-N 284.312 -0.098 50 20 CBGD O=C(CN1CCC(CO)CC1)NNC(=O)C1CCOCC1 1514566972 UOJXSDFOECVDTL-UHFFFAOYSA-N 299.371 -0.735 50 20 CBGD CCCNC(=O)NNC(=O)CCNC(=O)[C@H](N)C(C)C 1577545275 QIDNTSLEBYZHTP-SNVBAGLBSA-N 287.364 -0.784 50 20 CBGD C[C@@H](CO)N(C)NC(=O)C1(CC(=O)O)CCOCC1 1589073633 RZMXNVYAJAUZGD-VIFPVBQESA-N 274.317 -0.398 50 20 CBGD C[C@@H](CC=NNC(=O)Cc1cc(O)nc(O)n1)C(=O)O 1592464314 OHGRQPUMFSPUPL-LURJTMIESA-N 282.256 -0.357 50 20 CBGD CCOC(=O)NNC(=O)Cc1ccc(-c2nn[nH]n2)nc1 1604379876 ILNZHQMSNNZVSO-UHFFFAOYSA-N 291.271 -0.419 50 20 CBGD CCN1CCCC[C@H]1C(=O)NNC(=O)C(=O)NC1CC1 104212838 HRBPOYJEUAXJNP-JTQLQIEISA-N 282.344 -0.713 50 20 CBGD CCNC(=O)NNC(=O)C(F)(F)C1(O)CCC1 162814746 ZHVLPLUGNKHMTQ-UHFFFAOYSA-N 251.233 -0.113 50 20 CBGD CN(C)C(=O)CCCNC(=O)NNc1cccnn1 172494176 FEXJDDOIFURPLP-UHFFFAOYSA-N 266.305 -0.029 50 20 CBGD Cn1cnn(CC(=O)NNC(=O)c2ccccc2)c1=O 179382930 YFKYEZVZPJAYJC-UHFFFAOYSA-N 275.268 -0.957 50 20 CBGD Cc1cccnc1NNC(=O)CN(C)S(C)(=O)=O 276800321 YACHMNFGJXIPRA-UHFFFAOYSA-N 272.330 -0.275 50 20 CBGD C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)c1cnn(C)c1 281829811 IDQGMLNWZQPKOR-XKSSXDPKSA-N 266.301 -0.005 50 20 CBGD COC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)C(C)(C)O 286809467 PMLOUIWZRCGHTC-RQJHMYQMSA-N 258.274 -0.896 50 20 CBGD CC[C@@H](C(=O)NNc1nnc[nH]1)N1CCCC1=O 293776826 BNSAVQHZEHFIEV-ZETCQYMHSA-N 252.278 -0.351 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 370328747 WVTLFIWVNZZYPH-QMMMGPOBSA-N 294.315 -0.545 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@]2(F)CCNC2)n1 370763976 SIJLSQNXJKDGOZ-NSHDSACASA-N 269.280 -0.062 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNC(=O)c1ccc[nH]1 371427216 UPKIOFJVDLHSCV-JTQLQIEISA-N 266.301 -0.504 50 20 CBGD COC[C@H](C)CN(C)C(=O)c1cc(B(O)O)ccc1F 584959343 ASDHRKFROYQVHJ-SECBINFHSA-N 283.108 -0.140 50 20 CBGD COC[C@@H](NC(=O)c1cccc(B(O)O)c1)C1CC1 584965651 UHPGGFYRZRBBHT-GFCCVEGCSA-N 263.102 -0.479 50 20 CBGD C[C@H]1OCC[C@]1(C)NC(=O)c1cc(B(O)O)ccc1F 584972778 GXOIAZIZOOBBIZ-OQPBUACISA-N 281.092 -0.197 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@H]2[C@@H](O)CC[C@H]2C1 584974670 WXRVQVOMTVSNPI-KDDOJWQBSA-N 293.103 -0.652 50 20 CBGD O=C(Nc1nc2n(n1)CCCC2)c1cccc(B(O)O)c1 584998123 ASRWWWOLBJGDBK-UHFFFAOYSA-N 286.100 -0.454 50 20 CBGD CO[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C[C@@H]1C 584999442 UZYQBJOKPQKPAG-GXFFZTMASA-N 277.129 -0.137 50 20 CBGD C[C@@H]1CN(CCNCc2ccccc2B(O)O)CCO1 585022708 XASVQDYQTFKBKZ-GFCCVEGCSA-N 278.161 -0.823 50 20 CBGD C[C@@H](CC(=O)NCB(O)O)n1cc(Br)cn1 585062861 OQSSGKVYDBRBDN-LURJTMIESA-N 289.926 -0.275 50 20 CBGD O=C(COC[C@H]1CCCO1)NNC(=O)N1CCOCC1 733257267 WKKLUKHIYYFNDW-SNVBAGLBSA-N 287.316 -0.745 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)C2CCCC2)C1 746120917 DPKRLDNOPAATRM-JTQLQIEISA-N 255.318 -0.345 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCC[C@H](C)OC 748629115 ZNBZUSHJBXFULE-UWVGGRQHSA-N 291.348 -0.207 50 20 CBGD CCc1cccc(C)c1NC(=O)C(=O)NNC(=O)CO 764429161 ORZFYQVHPPXPFW-UHFFFAOYSA-N 279.296 -0.364 50 20 CBGD CC(=O)NNC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 765188745 PFPHLYCDQPNFRG-UHFFFAOYSA-N 286.313 -0.185 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@]1(O)CCSC1 765791960 UBYRXXMFMFSVDK-JTQLQIEISA-N 270.314 -0.653 50 20 CBGD CCNC(=O)N(C)NC(=O)C[C@H]1SC(=N)NC1=O 768412336 FYOCKYMPLVDBMZ-RXMQYKEDSA-N 273.318 -0.765 50 20 CBGD COC(=O)c1ccnc(NC(=O)NNC(=O)CO)c1 770681005 XMZKGXLEYRIJAX-UHFFFAOYSA-N 268.229 -0.987 50 20 CBGD COc1ccc(NNC(=O)CSCC(N)=O)nc1 781521301 RDYIGMDBTVNXRB-UHFFFAOYSA-N 270.314 -0.248 50 20 CBGD C[C@@H](C(=O)NNC(=O)NCC(F)(F)F)n1cncn1 798314855 DIICGTMYEMXQCJ-YFKPBYRVSA-N 280.210 -0.268 50 20 CBGD CC(=O)NNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F 806308262 PHVUQEHUHWVIDZ-ZCFIWIBFSA-N 267.207 -0.293 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ncccc1S(C)(=O)=O 823917235 FXNNFNAWJOFCGV-MRVPVSSYSA-N 287.341 -0.558 50 20 CBGD Cc1csc(=O)n1CCC(=O)NN(C)[C@H](C)CO 823987939 NBTBWILAEXRWKF-MRVPVSSYSA-N 273.358 -0.048 50 20 CBGD Cn1ncc(C2CC2)c1C(=O)NNC(=O)N1CCOCC1 824621910 YHXBFIDUCYRMJF-UHFFFAOYSA-N 293.327 -0.016 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCN2C=O)cc1 824695354 XKSQVNWUGGHWQJ-LBPRGKRZSA-N 286.291 -0.060 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 825471620 YUEKWQHQTLUGOZ-UHFFFAOYSA-N 278.276 -0.499 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NNC(=O)C(C)(C)C 825965504 YGYPPZNHKSSDGE-HTQZYQBOSA-N 286.332 -0.181 50 20 CBGD O=C(CCOc1ccccc1)NNC(=O)[C@@]1(O)CCOC1 840302081 WVUZGZHZAJIVFV-CQSZACIVSA-N 294.307 -0.246 50 20 CBGD CC(C)N(C)CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843971596 CTNVVFOCFRQHHO-NXEZZACHSA-N 257.334 -0.101 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2cncn2C1)c1ncccn1 844146683 MVWIFBXZGYREON-VIFPVBQESA-N 286.295 -0.303 50 20 CBGD CC(C)NC(=O)NNC(=O)c1ccnc(N)c1[N+](=O)[O-] 847402206 ZZOAPWFUFUKJFO-UHFFFAOYSA-N 282.260 -0.076 50 20 CBGD COC(=O)CNC(=O)NN=C(C)Cn1cncn1 853331136 IZYCLVSFFYYYEO-UHFFFAOYSA-N 254.250 -0.874 50 20 CBGD O=C(Cc1cccc(F)c1)NNC(=O)[C@H]1CCC(=O)N1 862448919 JBIBEILOSBHIHP-SNVBAGLBSA-N 279.271 -0.206 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ncccc2Cl)N1 862462025 NZCLJILMCAICNY-ZETCQYMHSA-N 282.687 -0.225 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@H]1CCCNC1=O 864594081 NNTGKGNJISUJDD-QMMMGPOBSA-N 264.285 -0.688 50 20 CBGD Cc1cc(=NNC(=O)N[C@H]2CC(=O)N(C)C2)cc[nH]1 875350661 NJFLDKOYABOOGW-JTQLQIEISA-N 263.301 -0.331 50 20 CBGD C[C@@H]1[C@H](C(=O)NNC(=O)c2cccnn2)CCN1C 882055712 GOWNLFAENUWDMA-RKDXNWHRSA-N 263.301 -0.422 50 20 CBGD O=C(NNC(=O)C1CN([C@@H]2CCOC2)C1)C1CCC1 896293945 OURYNCWELFBWIJ-LLVKDONJSA-N 267.329 -0.345 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccc2c(c1)nnn2C 910166098 SEFBRJNFHSKWGZ-MRVPVSSYSA-N 263.301 -0.074 50 20 CBGD CC(=O)NNC(=O)CNC(=O)c1ccc(F)c(F)c1 918688730 QCAYSMURAHPCIJ-UHFFFAOYSA-N 271.223 -0.138 50 20 CBGD C[C@H]1COC[C@@H]1NC(=O)NNC(=O)Cc1ccncc1 926009931 MQOAZJPUZMOFAZ-ONGXEEELSA-N 278.312 -0.011 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCO[C@@H]2COCC[C@@H]21 933964334 NXMVNKJGQKYIIX-WDEREUQCSA-N 285.344 -0.721 50 20 CBGD COCC(=O)NCCC(=O)NNc1nccc(OC)n1 1115893919 QMMBSBTZDOGJFC-UHFFFAOYSA-N 283.288 -0.919 50 20 CBGD NC(=O)Cn1cc(C(=O)NNc2ncccc2Cl)nn1 1116146048 UPAIXYIFFNJDRZ-UHFFFAOYSA-N 295.690 -0.431 50 20 CBGD C[C@@H](O)c1cn(CC(=O)NN[C@H](C)C(F)(F)F)nn1 1118944816 UCCSERMXRXSRBX-PHDIDXHHSA-N 281.238 -0.097 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H](C)Sc1nncn1C 1119103861 FTAMUGFGWMPRTM-JGVFFNPUSA-N 273.362 -0.361 50 20 CBGD COC(=O)C(=O)NNC(=S)Nc1ccc2c(c1)OCO2 1252510597 BCYWQKOLFSIRAB-UHFFFAOYSA-N 297.292 -0.094 50 20 CBGD COc1cc(C(=O)NNc2nccn(C)c2=O)ccn1 1252518963 PWDMAHBOBPJLFG-UHFFFAOYSA-N 275.268 -0.059 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNc1ccc(-n2ccnc2)nn1 1261089983 DNRAXVTXFWKGQX-MRVPVSSYSA-N 289.299 -0.370 50 20 CBGD CC(C)(Oc1ccccc1)C(=O)NNC(=O)CO 1320209435 UFTDANPNWKYEFW-UHFFFAOYSA-N 252.270 -0.016 50 20 CBGD O=C(CN1CC[C@@](O)(C2CC2)C1)NNC(=O)C1CC1 1321056954 CDIXPSHGNPWONS-ZDUSSCGKSA-N 267.329 -0.609 50 20 CBGD O=C(CCO)NNC(=O)C(=O)Nc1c(F)cccc1F 1321151120 ATVRRWYUYZJWCC-UHFFFAOYSA-N 287.222 -0.567 50 20 CBGD COC(=O)C(=O)NN[C@@H](C(N)=O)c1ccc(F)cc1 1322287758 DOQUGGACXZMAKY-MRVPVSSYSA-N 269.232 -0.854 50 20 CBGD O=C(CO[C@H]1CCOC1)NNC(=O)c1cccnc1 1322302387 ZMQQBQKRAWADHC-JTQLQIEISA-N 265.269 -0.352 50 20 CBGD CN(C)c1ncccc1C=NNC(=O)C(=O)NC1CC1 1327090617 JVFRDDFDOWVPRD-UHFFFAOYSA-N 275.312 -0.124 50 20 CBGD CNC(=O)NNC(=O)c1cnc(C2(C)OCCO2)s1 1329770508 KHTRPLJVZXPTFY-UHFFFAOYSA-N 286.313 -0.064 50 20 CBGD C[C@@H](CN1CCOCC1)NC(=O)NNC(=O)c1cn[nH]c1 1330027357 BDIYLOOFCDUKAK-VIFPVBQESA-N 296.331 -0.926 50 20 CBGD O=C1COc2cc(C(=O)N3CC[C@@H](B(O)O)C3)ccc2N1 1331894736 FTRZIZRZNRTPQG-SECBINFHSA-N 290.084 -0.294 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cccc(O)n1 1344903195 KUGNUMFXNBZWFU-UHFFFAOYSA-N 261.241 -0.486 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 1348955468 MRGOGURDSJHSOB-DTWKUNHWSA-N 296.414 -0.750 50 20 CBGD C[C@@H](CO)N(C)NC(=O)C1(C(=O)O)CCSCC1 1589073117 IKHFBNMBQYGZSK-QMMMGPOBSA-N 276.358 -0.072 50 20 CBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)o1)c1ccncc1 1593158151 HOHAIVYVTXHFPW-UHFFFAOYSA-N 299.250 -0.071 50 20 CBGD O=C(Cc1ccccn1)NNC(=O)[C@@H](C(=O)O)C1CC1 1594711514 YGSQNAITOHVCTA-NSHDSACASA-N 277.280 -0.118 50 20 CBGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)C(=O)O)[C@@H]1SC 1596979938 QTCUAXYPYNXMGI-QYNIQEEDSA-N 291.329 -0.690 50 20 CBGD CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)C(=O)O 1607366368 FGLWZFYSTJBDSF-ZETCQYMHSA-N 262.287 -0.470 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccccc1-c1nn[nH]n1 1609060259 GGRDZZRORGJUPG-UHFFFAOYSA-N 273.256 -0.808 50 20 CBGD NC(=O)C(=O)NNC(=O)c1cccc(Br)c1 5944126 OBDCMRLAIMAVPF-UHFFFAOYSA-N 286.085 -0.305 50 20 CBGD CC(=O)NNC(=O)COc1cccc(-c2nnn[nH]2)c1 95131431 ACKVOBWSMISYCP-UHFFFAOYSA-N 276.256 -0.587 50 20 CBGD COC(=O)[C@H](C)NS(=O)(=O)CBr 127282276 NUUMOEJRFUNVFH-BYPYZUCNSA-N 260.109 -0.180 50 20 CBGD Cc1ccnc(NNC(=O)Cn2ncn(C)c2=O)c1 183228707 UYPAZRRXNSRCPU-UHFFFAOYSA-N 262.273 -0.571 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NCCN1C(=O)CCC1=O 264987983 GDSCSFZENIUDPE-UHFFFAOYSA-N 284.316 -0.488 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)C(=O)NC(C)C)CC1 266784062 DAMQLAGZMMCMAN-UHFFFAOYSA-N 285.300 -0.998 50 20 CBGD CCOC(=O)NCCCC(=O)NNC(=O)c1cnn(C)c1 269844425 IAWRKBRXIDLOFE-UHFFFAOYSA-N 297.315 -0.293 50 20 CBGD CN(NC(=O)Cn1cc(Br)cn1)C(N)=O 272146359 FKNDJLXAJDWEQY-UHFFFAOYSA-N 276.094 -0.313 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc(N)c([N+](=O)[O-])c1 276299595 SOFYWMKZDWPLAU-UHFFFAOYSA-N 282.256 -0.291 50 20 CBGD CC[C@H](C(=O)NNC(=O)N1CCN(C)CC1)C(=O)OC 288138279 ZOYXYEKAEFLGQP-SECBINFHSA-N 286.332 -0.826 50 20 CBGD CCNC(=O)N(C)NC(=O)C[C@H]1CCCC(=O)N1 289504484 TYIQUEOTSNSNJC-MRVPVSSYSA-N 256.306 -0.262 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CN(CC)CCO1 374013189 XQHLLNQUWUUNGS-VIFPVBQESA-N 272.374 -0.612 50 20 CBGD C[C@H]1CN(C)CC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584936333 CFUHJSOROCHLMN-TVQRCGJNSA-N 294.135 -0.425 50 20 CBGD O=C(NCCOC[C@H]1CCOC1)c1ccc(B(O)O)cc1 584941521 JREQKVTTYCYQFB-NSHDSACASA-N 293.128 -0.851 50 20 CBGD C[C@H]1[C@@H](C)OCCN1C(=O)c1ccc(B(O)O)c(F)c1 584962325 CUQPIKWWRKYTRP-DTWKUNHWSA-N 281.092 -0.245 50 20 CBGD O=C(N[C@H]1CC[C@H](CO)CC1)c1ccc(B(O)O)cc1 584962992 NVKMGGCUMJMCPE-MJHDQNEOSA-N 277.129 -0.353 50 20 CBGD CCc1nc([C@H](C)NC(=O)c2cccc(B(O)O)c2)n[nH]1 584967720 BGEJIEZIUQVORQ-QMMMGPOBSA-N 288.116 -0.462 50 20 CBGD CC[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@@H]1O 584968581 YSLKIVVMZYYLHZ-SKDRFNHKSA-N 263.102 -0.791 50 20 CBGD O=C(N[C@H]1CCCOCC1)c1ccc(B(O)O)cc1 584970829 HHKHSVJLQNHROE-LBPRGKRZSA-N 263.102 -0.335 50 20 CBGD C[C@]1(CO)CCCN1C(=O)c1cccc(B(O)O)c1 584973413 CGIPSQUEEIMWAS-CYBMUJFWSA-N 263.102 -0.647 50 20 CBGD C/C=C/C[C@H](CO)NC(=O)c1ccc(B(O)O)cc1 584977185 KOUWWIIWCDLZOX-QAVQXKDTSA-N 263.102 -0.577 50 20 CBGD C[C@@H]1C[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)CC[C@H]1O 585006929 RQPSEGQVOALHEW-ZDSQKVDBSA-N 295.119 -0.215 50 20 CBGD C[C@](O)(CNCc1ccc(B(O)O)o1)c1ccco1 585025763 BYLNMYZJEJCXDR-LBPRGKRZSA-N 265.074 -0.450 50 20 CBGD CS(=O)(=O)CCCCCNCc1cccc(B(O)O)c1 585036633 NDDGXUZKZGQUDX-UHFFFAOYSA-N 299.201 -0.329 50 20 CBGD C[S@@](=O)C1(CNCc2ccc(B(O)O)o2)CCC1 585040033 YUGBKSWZVREHBT-GOSISDBHSA-N 271.147 -0.650 50 20 CBGD O=S(=O)(C[C@H]1CCCC1(F)F)NCB(O)O 585059382 LOMUEAGCFDVNKX-ZCFIWIBFSA-N 257.067 -0.647 50 20 CBGD CC(=O)NC(C)(C)C(=O)NNC(=O)NCC1CC1 726770168 JJSKABRJJXCLFD-UHFFFAOYSA-N 256.306 -0.359 50 20 CBGD O=C1CC(C(=O)NNC(=O)Cc2ccccc2F)=NN1 732290474 RLXZBSYXRVSAPZ-UHFFFAOYSA-N 278.243 -0.609 50 20 CBGD O=C(O)NCC(=O)NNC(=O)CCc1ccccc1O 738650542 GSZLTHUTAOABHS-UHFFFAOYSA-N 281.268 -0.260 50 20 CBGD COC[C@H](C)NC(=S)NNC(=O)N1CCOCC1 745731050 YGYKMAQFUCCGOV-QMMMGPOBSA-N 276.362 -0.558 50 20 CBGD COCCCNC(=O)NNC(=S)NC[C@H]1CCOC1 749685171 BOYUDEITRZTDLX-SECBINFHSA-N 290.389 -0.262 50 20 CBGD C[C@@H](C(=O)NNC(=O)CNC(=O)c1cccs1)N(C)C 750610560 CECUKZRAFPAEPQ-QMMMGPOBSA-N 298.368 -0.425 50 20 CBGD CCn1ccnc1C=NNC(=O)[C@@H](C)NS(C)(=O)=O 755697776 HGZKNHUQGFTYAX-MRVPVSSYSA-N 287.345 -0.709 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@H](C)NC(N)=O)nc1 759739022 VIMRVGVQGMCRMC-LURJTMIESA-N 281.272 -0.632 50 20 CBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)C2CCCC2)nn1 763024452 HWKXNTZJGCNKBV-MRVPVSSYSA-N 281.316 -0.331 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H](O)c1cccnc1 764898828 YFIDZUVSOLQYSN-VIFPVBQESA-N 252.274 -0.145 50 20 CBGD C#CCNC(=S)NNC(=O)CNC(=O)OC(C)(C)C 777918935 REOSOPXRHBAJBO-UHFFFAOYSA-N 286.357 -0.360 50 20 CBGD CO[C@H](C)CS(=O)(=O)NNC(=O)c1ccccn1 788138758 FCXQPVAHUOQTPM-MRVPVSSYSA-N 273.314 -0.319 50 20 CBGD C#C[C@@H](C)NC(=O)NNc1nc(O)c2cnn(C)c2n1 820434821 AEXQXAGWWDWDLP-ZCFIWIBFSA-N 275.272 -0.283 50 20 CBGD CN1CCCC[C@H]1C(=O)NNC(=O)c1ncccn1 823682323 HAMUPDWARNMVHJ-VIFPVBQESA-N 263.301 -0.278 50 20 CBGD O=C(NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1)C(=O)NC1CC1 833149133 GDEUSGKPCOTGRS-SFYZADRCSA-N 297.311 -0.697 50 20 CBGD NCC1CCN(CC(=O)NNC(=O)C2CC2)CC1 843345063 PBZFQPOSGMCMNE-UHFFFAOYSA-N 254.334 -0.786 50 20 CBGD CCCNC(=O)CCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843975735 TVXRMLPDXCYYNT-ZJUUUORDSA-N 285.344 -0.135 50 20 CBGD Cc1noc(CN(C)CC(=O)NNC(=O)C(C)C)n1 847087260 QPELXBFYUFRULD-UHFFFAOYSA-N 269.305 -0.387 50 20 CBGD CCCN1C[C@@H](C(=O)NNc2cnnn2C)CC1=O 857270720 MBEFZQFMYOXUNK-QMMMGPOBSA-N 266.305 -0.483 50 20 CBGD CN(C[C@H]1CCCN1C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858702273 GNLLJEMFLSPFPJ-ZJUUUORDSA-N 297.359 -0.968 50 20 CBGD COCCN(C)NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 861657503 YFGOFRRUUIRUOS-JTQLQIEISA-N 295.343 -0.618 50 20 CBGD C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862461278 JKTNFWHSRVZSFJ-ODHVRURNSA-N 269.301 -0.774 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@]12CCOC2)c1cn[nH]c1 862470407 DETUIXWYYRYROR-KWQFWETISA-N 250.258 -0.403 50 20 CBGD CN(CC(=O)NNc1nccn(C)c1=O)C1CCC1 863894494 RDKWBFAVJPEQPW-UHFFFAOYSA-N 265.317 -0.292 50 20 CBGD O=S(=O)(CC[C@H]1CCCO1)N1CC[C@H](B(O)O)C1 864231630 QBIBULNTLQZQDL-VHSXEESVSA-N 277.151 -0.566 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC(F)(F)C1 867239967 ZGEDADXXSUQSDN-UHFFFAOYSA-N 255.029 -0.152 50 20 CBGD O=C(C[C@H]1CCCO1)NNC(=O)c1cccnn1 882056409 SZPSOYXPPGOOCY-MRVPVSSYSA-N 250.258 -0.193 50 20 CBGD O=S1(=O)CC2(CN(S(=O)(=O)CCCCl)C2)C1 882292979 NGFNBZNERBRJAR-UHFFFAOYSA-N 287.790 -0.325 50 20 CBGD CC(C)(CCNCc1ccccc1B(O)O)C(=O)O 901481433 NDBKQUQKJFTJPA-UHFFFAOYSA-N 265.118 -0.043 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cnc(N(C)C)cn1 910156702 WIOKPXMNPGLESB-MRVPVSSYSA-N 253.306 -0.500 50 20 CBGD CC(C)(C)C(=O)NNC(=O)c1ccc(S(N)(=O)=O)o1 918584474 PKIYFBLDCNJLAM-UHFFFAOYSA-N 289.313 -0.266 50 20 CBGD CC[C@H](C)C(=O)NNC(=S)NCC(=O)N(C)C 918718260 CLAWFQBAEFNHDB-ZETCQYMHSA-N 260.363 -0.384 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H]1CCC(=O)NC1 920822266 CLFVFTYAHXAHRM-QMMMGPOBSA-N 256.306 -0.357 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccc(OC)nn1 1116111194 FYXNCULCJUORIE-UHFFFAOYSA-N 283.288 -0.534 50 20 CBGD COC(=O)N(C)NC(=O)CCC(=O)N1CCC(O)CC1 1117184733 HIEPTGILPLVKLJ-UHFFFAOYSA-N 287.316 -0.521 50 20 CBGD NC(=O)c1cc(CNC(=O)NNC(=O)C2CCC2)on1 1319424473 DVVPSICTJSROES-UHFFFAOYSA-N 281.272 -0.596 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cccc(C(N)=O)c1C 1321138746 GDSFNPUDFVQXPO-UHFFFAOYSA-N 292.295 -0.410 50 20 CBGD C=CCNC(=S)NNC(=O)CCc1nnc(C)o1 1330185155 ZDJPNAWNGVPUEQ-UHFFFAOYSA-N 269.330 -0.008 50 20 CBGD CCCNC(=O)CCC(=O)NNC(=O)C1CCOCC1 1332255543 UPWILRHYLJLURO-UHFFFAOYSA-N 285.344 -0.133 50 20 CBGD CCO/C=C(/C#N)C(=O)N1C[C@@H](CO)[C@@H](CO)C1 1332489148 QLCXYKIVFYFQJS-PXMGBRLRSA-N 254.286 -0.510 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNc1nc(C)cc(C)n1 1574106618 WORZHUZZQWWYEG-ZETCQYMHSA-N 254.246 -0.364 50 20 CBGD O=C(NNC(=O)[C@@]12CNC[C@@H]1CCO2)OCC(F)(F)F 1580736221 OTOPCKWZMULVSJ-IMTBSYHQSA-N 297.233 -0.315 50 20 CBGD CC(C)NC(=O)C(=O)NN=C1CCN(CCC(=O)O)CC1 1591635871 STBLETDMTUKDFA-UHFFFAOYSA-N 298.343 -0.446 50 20 CBGD Cc1ccc(C(=O)NNC(=O)Cn2ccc(C(=O)O)n2)o1 1600341037 KBZLYAHPTVAOFA-UHFFFAOYSA-N 292.251 -0.056 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)NC[C@H](F)C(=O)O)cn1 1600946435 MPROAWAPIHLUJA-WWQRDVDESA-N 266.232 -0.134 50 20 CBGD O=C(NNC(=O)[C@]1(C(=O)O)CCCO1)[C@H]1CCCS1 1605814587 IQZHMQFSQHNEIY-HQJQHLMTSA-N 288.325 -0.337 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)c2cccnn2)O[C@H]1C(=O)O 1607442760 OVUABJLZUOTNRB-FTLITQJKSA-N 294.267 -0.884 50 20 CBGD CCCS(=O)(=O)CC(=O)NNC(=O)c1cc(C)n[nH]1 268976016 ADZODHADZQNAPF-UHFFFAOYSA-N 288.329 -0.696 50 20 CBGD CC(C)NC(=O)NNC(=O)CNC(=O)c1cccc(O)c1 275313245 NVNVTWFLPOERIA-UHFFFAOYSA-N 294.311 -0.139 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCc1ccccn1 278072595 ZTYGNJVEPCIZGB-UHFFFAOYSA-N 251.286 -0.068 50 20 CBGD CN(NS(=O)(=O)N1CCOCC1)C(=O)OC(C)(C)C 497168845 AYVIGWJPWSRZHO-UHFFFAOYSA-N 295.361 -0.065 50 20 CBGD CC(C)CS(=O)(=O)CC(=O)Nc1cccc(B(O)O)c1 584910197 NQCFGEVVWABPDP-UHFFFAOYSA-N 299.157 -0.624 50 20 CBGD CCN(CC)CCCNC(=O)c1ccc(B(O)O)c(F)c1 584925302 SSHDDYLKXPKLPY-UHFFFAOYSA-N 296.151 -0.033 50 20 CBGD Cn1nc2c(c1NC(=O)c1cccc(B(O)O)c1)CCC2 584933511 ICWYCHVWDGZHDP-UHFFFAOYSA-N 285.112 -0.159 50 20 CBGD NC(=O)C1CCC(NCc2ccc(B(O)O)cc2F)CC1 585024375 VMYVNAOCCNPQBT-UHFFFAOYSA-N 294.135 -0.361 50 20 CBGD C[C@@H]1C[C@@H]1N1C[C@H](NCc2ccc(B(O)O)o2)CC1=O 585024736 BQHKIBQLNLLSQZ-KKZNHRDASA-N 278.117 -0.942 50 20 CBGD CS(=O)(=O)C1(CNCc2ccccc2B(O)O)CC1 585039919 XJAUZZYXTNJPPX-UHFFFAOYSA-N 283.158 -0.967 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc(Cl)cc1F 585055020 XABXCLBTNYKPFR-UHFFFAOYSA-N 267.474 -0.231 50 20 CBGD O=C(NCB(O)O)[C@H]1CCCN1C(=O)Cc1cccs1 585056644 ZQOUNHYLMMWOQV-SNVBAGLBSA-N 296.157 -0.590 50 20 CBGD O=C(NCB(O)O)[C@H]1C[C@@]12CCOc1ccccc12 585060390 PXAHBGQAJCGLAS-ZWNOBZJWSA-N 261.086 -0.145 50 20 CBGD O=C(c1ccc2nn[nH]c2c1)N1CC[C@H](B(O)O)C1 585064178 CYNHJVNXUMENCA-QMMMGPOBSA-N 260.062 -0.353 50 20 CBGD C[C@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)CN(C)C 733361160 RTVQAKOLZSHGIZ-UWVGGRQHSA-N 273.333 -0.721 50 20 CBGD CC(=O)NNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)O)C1 738550727 SSBOGCSBBKEFCK-LLVKDONJSA-N 290.279 -0.127 50 20 CBGD O=C(O)Nc1ccc(C(=O)NNC(=O)c2cnn[nH]2)cc1 738659665 BHBUBFAXFCHEGX-UHFFFAOYSA-N 290.239 -0.031 50 20 CBGD O=C(NNC1=N[C@H]2C=C[C@H]1C2)N[C@H]1CCS(=O)(=O)C1 739410955 ABPSBHIHHPPQEX-CIUDSAMLSA-N 284.341 -0.666 50 20 CBGD CNC(=O)C1(C(=O)NNc2cc(Cl)nc(N)n2)CC1 753455185 OSNKJULWFKMWRX-UHFFFAOYSA-N 284.707 -0.319 50 20 CBGD COC(=O)c1ccc(NNC(=O)CCNC(N)=O)nc1 760791186 SNQICZXJQLGWCH-UHFFFAOYSA-N 281.272 -0.630 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCCN(C(N)=O)C2)n[nH]1 765584047 VRBSJKHURCESAP-MRVPVSSYSA-N 294.315 -0.730 50 20 CBGD CCCN(C)CC(=O)NNc1nc(O)c2cnn(C)c2n1 770972901 KNWLHFZILJCPGH-UHFFFAOYSA-N 293.331 -0.146 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCN(C)C2=O)o1 773273907 RTACQACSHQZIDN-MRVPVSSYSA-N 265.269 -0.173 50 20 CBGD C#C[C@H](NCC(=O)NNC(=O)C(C)(C)C)[C@H]1CCCO1 775799063 MSTLTWWDHDVDMS-WDEREUQCSA-N 281.356 -0.050 50 20 CBGD O=C(NNC(=O)C1CCC1)c1c[nH]nc1[N+](=O)[O-] 791359474 MVLJNBUGJJDKLS-UHFFFAOYSA-N 253.218 -0.121 50 20 CBGD CN(C)S(=O)(=O)CCC(=O)NNc1ncncc1F 817079428 DXJNAVJEHNQCCN-UHFFFAOYSA-N 291.308 -0.660 50 20 CBGD Cn1cc(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)nn1 826360015 VKEWSRBHDXGTQF-UHFFFAOYSA-N 297.282 -0.241 50 20 CBGD O=C(NCC1CC1)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 826434467 NPVRCSAFIYYECQ-UHFFFAOYSA-N 290.287 -0.451 50 20 CBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)Cc1cccnc1 827304488 WCPOAGGVJNZPDO-QMMMGPOBSA-N 265.269 -0.118 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H](O)C1CC1 831790323 NMTOGHMOUXXMIZ-SECBINFHSA-N 287.316 -0.571 50 20 CBGD CCONC(=O)CNC(=O)NNc1ccc(C)nn1 845547615 TWNDACBFZOYYPK-UHFFFAOYSA-N 268.277 -0.521 50 20 CBGD O=C(Cn1nc2n(c1=O)CCCC2)NNc1cnccn1 845955306 LZSZVLLLNACVNJ-UHFFFAOYSA-N 289.299 -0.686 50 20 CBGD CC(=O)NNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 854155908 YQRMUOCYTKSAND-OPRDCNLKSA-N 253.302 -0.151 50 20 CBGD C[C@H](NC(=S)NNC(=O)C1(O)CCOCC1)C1CC1 855099702 LQRCONLDVDYWOE-QMMMGPOBSA-N 287.385 -0.178 50 20 CBGD CC(C)(F)CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858611602 SDUYDBBHASCWSQ-SSDOTTSWSA-N 274.296 -0.266 50 20 CBGD O=C1CC[C@@H](C(=O)NN=Cc2cc(CO)ccc2O)N1 863150303 RIYIYRRWVVWFPP-JTQLQIEISA-N 277.280 -0.387 50 20 CBGD CC[C@H](NC(C)=O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 869067757 HAQLDYDKEZNXLY-SFGNSQDASA-N 271.317 -0.527 50 20 CBGD CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)COCCOC 869905624 CKMGIPKQYRGIEG-MWLCHTKSSA-N 276.333 -0.142 50 20 CBGD O=C(NCC[C@@H](O)C1CC1)c1cccc(B(O)O)c1 890714767 SQRZJDRFKJDARO-GFCCVEGCSA-N 263.102 -0.743 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H](O)Cc1ccccc1 910149405 DRLHPMOLIJIKLH-PWSUYJOCSA-N 252.314 -0.066 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccnn1CCN(C)C 911444663 HDVCNRVHERSNCW-SNVBAGLBSA-N 269.349 -0.598 50 20 CBGD CCC(=O)NNS(=O)(=O)c1ccc2nc(O)[nH]c2c1 916643806 HKCVPPXANLLMPS-UHFFFAOYSA-N 284.297 -0.012 50 20 CBGD CC(=O)NNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 920088612 BZHWWTDKGMDKPK-UHFFFAOYSA-N 290.239 -0.044 50 20 CBGD O=C(COC1CCCC1)NNC(=O)CN1CCCC1=O 920433406 SJWBQKIBVJHHGC-UHFFFAOYSA-N 283.328 -0.285 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CCNS(C)(=O)=O 920452534 PMSONQXOBIGACG-UHFFFAOYSA-N 265.335 -0.881 50 20 CBGD COCCn1cc(C(=O)NNC(=O)N(C)C)ccc1=O 1115915294 ALPGWKYZRPQVGE-UHFFFAOYSA-N 282.300 -0.589 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)C3=COCCO3)nc21 1116320743 SJAPVBWGQMTLRC-UHFFFAOYSA-N 292.255 -0.600 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@@H](C)S(C)(=O)=O 1318068779 LCPREOHRHAAXHA-ZCFIWIBFSA-N 251.308 -0.842 50 20 CBGD CS(=O)(=O)C1(C(=O)NNc2ncc(F)cn2)CC1 1321019414 JSZQLBYWGPQDRY-UHFFFAOYSA-N 274.277 -0.364 50 20 CBGD CN(NC(=O)[C@H]1CCc2cnn(C)c2C1)C(N)=O 1322590949 XLWHDPZJQXRBAI-ZETCQYMHSA-N 251.290 -0.433 50 20 CBGD O=C(NN=Cc1ccc(CO)o1)[C@@H]1CCS(=O)(=O)C1 1323086289 XBGLLLPJEFRREK-MRVPVSSYSA-N 286.309 -0.343 50 20 CBGD COc1ccnc(NNC(=O)C(=O)NCC2CC2)n1 1324454188 ZLSBIODEWUQUQI-UHFFFAOYSA-N 265.273 -0.546 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1C[C@]12CCOC2 1325516441 QHUFPMBEKZIPOT-CABZTGNLSA-N 264.285 -0.474 50 20 CBGD CC1=NO[C@H](C(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1 1328421985 JSYQQWIJUKTPQF-CIUDSAMLSA-N 255.274 -0.276 50 20 CBGD CON(C(=O)c1cc(B(O)O)ccc1F)C(C)C 1330226664 WLEZDQKZWDLQHL-UHFFFAOYSA-N 255.054 -0.083 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCCC(F)(F)F)N1 1331299041 ZXMYIWUBETZEGP-RXMQYKEDSA-N 282.222 -0.452 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CC[C@@H]1CCOC1 1331309607 PXCMBYYAIHWQPV-SECBINFHSA-N 271.317 -0.525 50 20 CBGD Cc1ncsc1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1331520966 MYFPYYDAAYNYJT-SSDOTTSWSA-N 297.340 -0.439 50 20 CBGD O=C(c1cnc2cccnn12)N1CC[C@H](B(O)O)C1 1333148969 DFVFHNAXIBYENB-QMMMGPOBSA-N 260.062 -0.582 50 20 CBGD COCC1(C(=O)NNc2nccn(C)c2=O)CC1 1341963749 JAXBEGXVKSSRTR-UHFFFAOYSA-N 252.274 -0.350 50 20 CBGD COc1ccnc(NNC(=O)C[C@@H]2CCC(=O)NC2)n1 1351238950 NRHDWNILHGHYEU-QMMMGPOBSA-N 279.300 -0.155 50 20 CBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)c1ccc[nH]1 1520747427 OWKJQZGFRNUOBK-ONGXEEELSA-N 277.328 -0.836 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H](N)CC(C)C 1579055578 FQEGFCSEBMHJKY-SECBINFHSA-N 261.322 -0.830 50 20 CBGD O=C(NNC(=O)[C@@H]1CCN1)c1cccc(C#CCO)c1 1580732952 KWMFARUAPGEULT-LBPRGKRZSA-N 273.292 -0.847 50 20 CBGD O=C(NNC(=O)[C@H](O)C1CCCCC1)[C@H]1CCN1 1580733505 WVEWHXUIVAPQDI-NXEZZACHSA-N 255.318 -0.563 50 20 CBGD COC(=O)N(C)NC(=O)NC1CCN(CC(=O)O)CC1 1593855939 OXCIXZWVEAWOOP-UHFFFAOYSA-N 288.304 -0.552 50 20 CBGD NC(=O)N1CCC[C@H]1C(=O)NNc1ncccc1C(=O)O 1594645907 XESXSJRCZDYLPV-QMMMGPOBSA-N 293.283 -0.234 50 20 CBGD O=C(O)CCCCNC(=O)NNC(=O)C1CCOCC1 1595043214 XPZNIUNKEJYOKV-UHFFFAOYSA-N 287.316 -0.002 50 20 CBGD COCCCNC(=O)NNC(=O)C[C@H](C)CC(=O)O 1599226805 HUJSWDUHLZOJGZ-QMMMGPOBSA-N 275.305 -0.146 50 20 CBGD Cc1cc(CC(=O)NNC(=O)CCCC(=O)O)n[nH]1 1600187371 VTGNMUZHFOJHIZ-UHFFFAOYSA-N 268.273 -0.337 50 20 CBGD CC(C)(CCC(=O)O)NC(=O)c1ccc(B(O)O)cc1 1603598135 DRVUPYUQGDAZDN-UHFFFAOYSA-N 279.101 -0.260 50 20 CBGD Cc1nnc(NNC(=O)C[C@@H](C)CC(=O)O)nc1O 1608018096 DGEUOXUTBHCFOS-RXMQYKEDSA-N 269.261 -0.170 50 20 CBGD C[C@@H](NC(=O)NNc1ncccn1)C(=O)N(C)C 46969219 XLYXQDDMZLFPKR-SSDOTTSWSA-N 252.278 -0.421 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@@H]1CCN(C2CC2)C1 108928625 XGWAOMHOBBYNHX-JTQLQIEISA-N 284.360 -0.162 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCCO2)n(C)n1 130352496 DZJYQNGMBPRIHJ-VIFPVBQESA-N 252.274 -0.331 50 20 CBGD NC(=O)NCCCCC(=O)NNC(=O)NCc1ccco1 138978530 UYGUJUWAUSPAKG-UHFFFAOYSA-N 297.315 -0.051 50 20 CBGD COCCCOCC(=O)NNC(=O)c1ccc[nH]1 179592704 DRNBJLHDZWPRGO-UHFFFAOYSA-N 255.274 -0.171 50 20 CBGD Cc1cnccc1C(=O)NNC(=O)N1CCN(C)CC1 288081551 VENYKYUETVDCBL-UHFFFAOYSA-N 277.328 -0.008 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1C[C@@]12CCOC2 376371168 UMGJVGHQLZYSMO-JOYOIKCWSA-N 269.301 -0.514 50 20 CBGD COCC[C@H](C)NC(=O)c1ccc(B(O)O)cc1 584937503 VBINMFFHDZLAKT-VIFPVBQESA-N 251.091 -0.479 50 20 CBGD CN1CCC(CNC(=O)c2ccc(B(O)O)cc2)CC1 584939853 ZLVHIHORUQGXMO-UHFFFAOYSA-N 276.145 -0.562 50 20 CBGD CC[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@H]1O 584967293 IOTHKXPVAWGPRZ-PRHODGIISA-N 281.092 -0.652 50 20 CBGD O=C(N[C@@H]1CCO[C@H]1C1CC1)c1cccc(B(O)O)c1 584967857 NTRZTSAODXVVBT-OLZOCXBDSA-N 275.113 -0.336 50 20 CBGD O=C(NC1CCC(CO)CC1)c1ccc(B(O)O)c(F)c1 584972489 YIYCQGCHSRSBCR-UHFFFAOYSA-N 295.119 -0.214 50 20 CBGD CN(CC(C)(C)C#N)C(=O)c1cccc(B(O)O)c1 584992202 JGEQUCBRUIILCU-UHFFFAOYSA-N 260.102 -0.012 50 20 CBGD O=C(NC[C@@H]1CC1(F)F)c1cc(B(O)O)ccc1F 585001484 XUFJSJTUPIGVAQ-LURJTMIESA-N 273.019 -0.110 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@@H]2OC[C@@H]2C1 585005847 NNYTXQWINBUFCL-CABZTGNLSA-N 279.076 -0.634 50 20 CBGD O=C(CNCc1ccccc1B(O)O)NC1CCCCC1 585022208 UYKCJLWMQICMMM-UHFFFAOYSA-N 290.172 -0.095 50 20 CBGD CC(C)[C@@](C)(O)CNCc1ccc(B(O)O)cc1 585023721 PASYDYUTTWDWNT-ZDUSSCGKSA-N 251.135 -0.137 50 20 CBGD CN(C)C(=O)[C@H]1CCC[C@@H](NCc2ccc(B(O)O)o2)C1 585030214 XWELEHVMLQAAOV-WDEREUQCSA-N 294.160 -0.304 50 20 CBGD C[S@](=O)CCCNCc1ccc(B(O)O)cc1 585030319 YVQPTFTVAQCPSB-KRWDZBQOSA-N 255.148 -0.775 50 20 CBGD C[C@@H](NCc1ccccc1B(O)O)c1ncnn1C 585037639 FSAABCGTBNXSNW-SECBINFHSA-N 260.106 -0.654 50 20 CBGD O=S(=O)(c1c[nH]nc1Cl)N1CC[C@H](B(O)O)C1 585056256 LRMXDPRXDKTTIO-YFKPBYRVSA-N 279.514 -0.700 50 20 CBGD O=S(=O)(NCB(O)O)c1cnc2onc(C3CC3)c2c1 585057092 KRLKYAGQXVJMDM-UHFFFAOYSA-N 297.101 -0.610 50 20 CBGD CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NCB(O)O 585059584 SXLBCWHIENTMKS-YUMQZZPRSA-N 274.151 -0.938 50 20 CBGD COc1cc(CCC(=O)NCB(O)O)cc(OC)c1 585061513 ZPVAXSXNQXNVPX-UHFFFAOYSA-N 267.090 -0.235 50 20 CBGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccccn1 725861187 GEYOPJCUTHIBHR-VIFPVBQESA-N 277.284 -0.614 50 20 CBGD CSC[C@H](C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 731324053 IBKPPLQDXQGRAP-YUMQZZPRSA-N 294.398 -0.432 50 20 CBGD CN(CCCC(=O)NNC(=O)c1cnn(C)c1)C(=O)O 737426276 BIPUVECAACDDJV-UHFFFAOYSA-N 283.288 -0.429 50 20 CBGD COc1ccnc(NNC(=O)CCCNC(=O)O)n1 738142581 AXMBKRYRQXXHOF-UHFFFAOYSA-N 269.261 -0.024 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)C[C@@H]1CCOC1 749846981 HSAWFNHOKUNUBU-ZJUUUORDSA-N 257.334 -0.099 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 750654562 DCXDWOKTICJXJE-QMMMGPOBSA-N 268.317 -0.264 50 20 CBGD COCCCNC(=O)NN=C(C)CN1C(=O)CCC1=O 754943520 QRZDHJBDXFJZGP-UHFFFAOYSA-N 284.316 -0.153 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1ccc2ncccc2c1 764421694 QNGICWXLOFXDSH-UHFFFAOYSA-N 288.263 -0.687 50 20 CBGD COC(=O)Cn1ccc(NC(=O)NNC(=O)C2CC2)n1 764673125 JOBJUTCRHGTLMM-UHFFFAOYSA-N 281.272 -0.381 50 20 CBGD CN(NC(=O)CS(=O)(=O)C(C)(C)C)C(N)=O 778411966 LCKUDLGTTMTPQC-UHFFFAOYSA-N 251.308 -0.759 50 20 CBGD CCOC(=O)C1(CC(=O)NNC(=O)CO)CCC1 789904815 BANDFKKJMBBERN-UHFFFAOYSA-N 258.274 -0.750 50 20 CBGD COC(=O)Cc1cccc(NC(=O)NNC(C)=O)n1 792410767 ZRDRVEJQWGACJQ-UHFFFAOYSA-N 266.257 -0.030 50 20 CBGD COCC1(C(=O)NNC(=O)N2CCN(C)CC2)CCC1 807380880 ULUXMGLWEWCQSZ-UHFFFAOYSA-N 284.360 -0.209 50 20 CBGD O=C(O)C[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 819375388 NGJOHYKKBPACDP-VIFPVBQESA-N 283.328 -0.270 50 20 CBGD CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NN(C)C1CC1 819652597 WXKSNAUZDIMEIX-JTQLQIEISA-N 284.360 -0.482 50 20 CBGD COCC(=O)N[C@H](C(=O)NN(C)[C@@H](C)CO)C(C)C 823950309 BJFGTKIKRCIHEV-ONGXEEELSA-N 275.349 -0.883 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@]23CCC[C@@H]2C3)N1 827015800 LDZHRHVBVUCWBT-RGNHYFCHSA-N 251.286 -0.397 50 20 CBGD O=C(NNC(=O)C1(n2cnnn2)CC1)C1CCC1 827216308 PVTRRGLZYCNUJR-UHFFFAOYSA-N 250.262 -0.890 50 20 CBGD CCOC(=O)[C@@H](CC(=O)NNC(=O)C(C)(C)O)C(C)=O 832754592 MUPLZSBXYUGLIO-QMMMGPOBSA-N 288.300 -0.937 50 20 CBGD CCCN1C[C@@H](C(=O)NNC(=O)NCC)CC1=O 840288766 MZCVRTRGRHEHCF-QMMMGPOBSA-N 256.306 -0.405 50 20 CBGD C=CCn1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)nn1 843657167 DJFPGXKJKPSVBW-DTWKUNHWSA-N 279.300 -0.350 50 20 CBGD CCCn1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)nn1 843663964 ZYGOFRGHZGREFB-DTWKUNHWSA-N 281.316 -0.126 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1CCCN1C=O 854953423 UJGCACPEOQBFGB-QMMMGPOBSA-N 265.273 -0.451 50 20 CBGD CC[C@H]1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858695713 FLLOKHDTTHBZJE-DTWKUNHWSA-N 268.317 -0.262 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2ccon2)N1 860862845 JODNKRHLQOVTGJ-RXMQYKEDSA-N 253.218 -0.894 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)n1C 862449977 MMFOBLNRNAHLFB-MRVPVSSYSA-N 264.285 -0.627 50 20 CBGD CCOC(=O)C[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F 863879956 JAIJDMFEIMSKBF-MRVPVSSYSA-N 297.091 -0.423 50 20 CBGD CN(C)CCCCN(C)C(=O)c1ccc(B(O)O)cc1 865976564 OHPVHWSYUYQBBB-UHFFFAOYSA-N 278.161 -0.220 50 20 CBGD COC(=O)N(C)NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 875237025 HFAQGQUCNLWOBG-ZJUUUORDSA-N 286.332 -0.238 50 20 CBGD C[C@H](NCc1cccc(B(O)O)c1)[C@@H](O)C(F)(F)F 877693904 UDTGZWHGGMBTMG-OIBJUYFYSA-N 277.051 -0.232 50 20 CBGD C[C@H]1C(=O)CCCN1C(=O)c1cc(B(O)O)ccc1F 885064049 YJFCSHWCCRVURE-QMMMGPOBSA-N 279.076 -0.301 50 20 CBGD CN1CC(=O)N(CCCC(=O)NNC(=O)C(C)(C)C)C1=O 918695287 RDDFBQUWENTLIK-UHFFFAOYSA-N 298.343 -0.146 50 20 CBGD Cc1cc(OCC(=O)NNC(=O)NC2CC2)no1 920766480 FDQWIUDPDRFARL-UHFFFAOYSA-N 254.246 -0.145 50 20 CBGD C[C@@H]1COC[C@H]1NCC(=O)NNC(=O)C(C)(C)C 932490155 VBAKNSUNRRGQTM-RKDXNWHRSA-N 257.334 -0.196 50 20 CBGD Cc1csc(CC(=O)NNC(=O)CN(C)CCO)n1 1116324272 DKVMUURSOXPRAZ-UHFFFAOYSA-N 286.357 -0.934 50 20 CBGD O=C(CCCN1C(=O)CNC1=O)NNc1ncc(F)cn1 1116408129 CARSLKHRHOGWIQ-UHFFFAOYSA-N 296.262 -0.609 50 20 CBGD COCCNCC(=O)NNc1nc(C)cc(C)n1 1118185721 ILHAGHAXVGWTMR-UHFFFAOYSA-N 253.306 -0.227 50 20 CBGD Cc1ncc(C)c(NC(=O)NNC(=O)CN(C)C)n1 1119261064 OILUABVAGYDZDX-UHFFFAOYSA-N 266.305 -0.192 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)n1cc(CCCOC)nn1 1119335347 KMTFFPBXDPUZRG-VIFPVBQESA-N 283.332 -0.025 50 20 CBGD Cc1cc[nH]c1C(=O)NNC(=O)C(=O)NC(C)C 1256446734 IKNQEANKJYXWEB-UHFFFAOYSA-N 252.274 -0.391 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnnn1C 1261498247 ZBVPZKBEUMMLBU-BQBZGAKWSA-N 253.262 -0.999 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCC2CC2)CN1 1318005216 YLZLVXYQCMBGIC-QMMMGPOBSA-N 254.290 -0.747 50 20 CBGD CNC(=O)NNC(=O)CCn1cc([N+](=O)[O-])cn1 1318040829 LYQDVBHCYAHONG-UHFFFAOYSA-N 256.222 -0.858 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CCc2nnc(C)n2C1 1319507775 UYDBFPCJSNDRJI-QMMMGPOBSA-N 266.305 -0.501 50 20 CBGD C[C@@H](O)C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1320631295 ADQDGSVMLVRUBC-ZCFIWIBFSA-N 252.274 -0.570 50 20 CBGD CC(F)(F)CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1324591371 CLVQHDTZJAALHL-LURJTMIESA-N 299.299 -0.451 50 20 CBGD O=C(NC[C@@H]1CCCOC1)NNC(=O)c1cn[nH]c1 1331277892 UVRPCQHHLAVVMN-QMMMGPOBSA-N 267.289 -0.220 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NOCc2cccnc2)N1 1331295760 GZPBBAVWAHPRQV-SECBINFHSA-N 293.283 -0.878 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H]1C[C@H]2C=C[C@H]1C2 1335151145 TWBHZFBPAIHSDX-XHNCKOQMSA-N 267.285 -0.298 50 20 CBGD O=C(CN1C(=O)CNC1=O)NNc1ncccc1Cl 1339109592 FIDBSPIYNGTVDH-UHFFFAOYSA-N 283.675 -0.270 50 20 CBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NCCN 1573407646 OATQVPRVODEWPZ-UHFFFAOYSA-N 287.364 -0.782 50 20 CBGD Cc1cccc(C(=O)NNC(=O)NC[C@@H]2[C@H]3CNC[C@H]32)n1 1579750408 OREQWYLDIUTOOI-URLYPYJESA-N 289.339 -0.201 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cnc(N)s2)ccc1=O 1579952967 BDHFQKPVOUWBJN-UHFFFAOYSA-N 293.308 -0.501 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCN2)c(-c2ccco2)n1 1579953026 DLOJWNMQTVOGSQ-VIFPVBQESA-N 289.295 -0.197 50 20 CBGD Cc1oc(-c2nn[nH]n2)cc1C(=O)NNC(=O)NC1CC1 1592501927 XQJFFNOSBGBYEH-UHFFFAOYSA-N 291.271 -0.125 50 20 CBGD O=C(NCc1ccccc1C(=O)O)c1ccc(B(O)O)cc1 1601543929 AITHZZWGNGRKIK-UHFFFAOYSA-N 299.091 -0.005 50 20 CBGD O=C(NNC(=O)C1CC1)Nc1ccc(-c2nn[nH]n2)cn1 1606849750 WZCDAJLECYPLPU-UHFFFAOYSA-N 288.271 -0.176 50 20 CBGD O=C(O)c1cccc(NNC(=O)[C@H]2CCS(=O)(=O)N2)c1 1608936039 VHCBLZHKVCNMMT-SECBINFHSA-N 299.308 -0.480 50 20 CBGD C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CC=C(C#N)CC1 1647132560 KNYOCJCFGCIUPN-PWSUYJOCSA-N 297.380 -0.166 50 20 CBGD CN(C)c1ccc(C(=O)NNC(=O)c2cnn(C)c2)cn1 117678651 RCIDCSKRMRRPQT-UHFFFAOYSA-N 288.311 -0.044 50 20 CBGD Cc1cc(C(=O)NNC(=O)CN(C)C(C)C)[nH]n1 151174529 NZPAFSAWBUNBJH-UHFFFAOYSA-N 253.306 -0.181 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cnn(C)c2)O1 155365784 QDNJULPVQJPDMR-CBAPKCEASA-N 252.274 -0.251 50 20 CBGD Cn1cnc(C(=O)NNC(=O)Cc2cccnc2)c1 179331726 XKVBEDVPALTZKV-UHFFFAOYSA-N 259.269 -0.181 50 20 CBGD CO[C@@H](C)CS(=O)(=O)NNC(=O)c1cccn1C 193113486 PNCOGDOJBMFJOX-QMMMGPOBSA-N 275.330 -0.376 50 20 CBGD NNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 195519553 OQRWFOBQDLNSMX-UHFFFAOYSA-N 274.280 -0.952 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc2c(c1)OCCO2 263903340 SAUPOBLIEQKPGZ-UHFFFAOYSA-N 279.296 -0.220 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)CNc2ccccc2)CC1 264353266 DKJPRMOSASSZDE-UHFFFAOYSA-N 290.323 -0.228 50 20 CBGD CCS(=O)(=O)C[C@H](C)NC(=O)NNc1ncccn1 264982194 FWTFMKLHOFATOC-QMMMGPOBSA-N 287.345 -0.074 50 20 CBGD O=C(NCCn1cc([N+](=O)[O-])cn1)NNC(=O)C1CCC1 269056507 SKSOYLDNXLVISU-UHFFFAOYSA-N 296.287 -0.078 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1nccc(OC)n1 270308201 YHPQEKCCBSSTSQ-UHFFFAOYSA-N 283.288 -0.967 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1cccc(OC)n1 273036277 ULTCOIUCKMGUGN-UHFFFAOYSA-N 274.302 -0.918 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNc1nccnc1OC 274096981 OGKATAPXRKZUKU-LURJTMIESA-N 269.261 -0.327 50 20 CBGD COC(C)(C)CC(=O)NNC(=O)C(=O)NC(C)C 278670720 COZMYYOJHCJYTB-UHFFFAOYSA-N 259.306 -0.527 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H](OC)c1cnn(C)c1 281203457 LBRQNUOEBNLBME-VIFPVBQESA-N 283.357 -0.211 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)O)cc1C 281306841 RTQWVZAUWROYME-VIFPVBQESA-N 279.296 -0.230 50 20 CBGD C=CCNC(=S)NNC(=O)CCSCC(=O)OC 281408154 ZBMUCQHWASOAEJ-UHFFFAOYSA-N 291.398 -0.036 50 20 CBGD NC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCCO2)cn1 292715299 LPYOOGUBSUHFBC-VIFPVBQESA-N 293.283 -0.488 50 20 CBGD Cn1nnc(CNS(=O)(=O)CCCCCl)n1 398080527 NJXDTWZAEAIZHL-UHFFFAOYSA-N 267.742 -0.352 50 20 CBGD CCOC(=O)NCCC(=O)NNc1nccn(C)c1=O 493153700 FUWQRBYSRAPPGT-UHFFFAOYSA-N 283.288 -0.640 50 20 CBGD CCN1CCCN(C(=O)c2ccc(B(O)O)cc2)CC1 584941952 OEUHOUNUADKCRE-UHFFFAOYSA-N 276.145 -0.466 50 20 CBGD CC[C@H]1CN(C)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584995207 SBVKXJVOBWZCLC-NSHDSACASA-N 294.135 -0.328 50 20 CBGD COc1cncc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)c1 585056287 MQFSCQQSLLHRBA-MRVPVSSYSA-N 286.118 -0.672 50 20 CBGD C[C@H]1CN(c2ccc(C(=O)NCB(O)O)cn2)C[C@H](C)O1 585063344 XAAGWEHJYPIXAX-UWVGGRQHSA-N 293.132 -0.563 50 20 CBGD CCCc1[nH]nc(C(=O)N2CC[C@@H](B(O)O)C2)c1[N+](=O)[O-] 585071628 XHFNDQZKQCDITD-SSDOTTSWSA-N 296.092 -0.041 50 20 CBGD O=C(O)NCCCC(=O)NNC(=O)c1ccc[nH]1 739956920 OOFIULVOURPJQO-UHFFFAOYSA-N 254.246 -0.177 50 20 CBGD Cc1nnc(NNC(=O)CN(C)C(C)C)nc1O 742792112 HYTYOKLJCODYFY-UHFFFAOYSA-N 254.294 -0.331 50 20 CBGD Cc1cc(OCC(=O)NNC(=O)N2CCOCC2)no1 745991733 GDZWGZXMROWPJH-UHFFFAOYSA-N 284.272 -0.565 50 20 CBGD CCOCCO[C@@H](C)C(=O)NNC(=O)N1CCOCC1 745995985 GSRWGUYIGAIMIT-JTQLQIEISA-N 289.332 -0.499 50 20 CBGD O=C(COC[C@H]1CCCO1)NNC(=O)Cc1ccncc1 747324763 NGDHYVVMSVJBDG-GFCCVEGCSA-N 293.323 -0.033 50 20 CBGD COC(=O)c1ccc(C=NNC(=O)C(=O)NC(C)C)[nH]1 747629749 MCTJTTSHEBCPRC-UHFFFAOYSA-N 280.284 -0.224 50 20 CBGD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NNC(=O)NC1CC1 748717235 BTOCPMOOCSPCOQ-UHFFFAOYSA-N 295.255 -0.751 50 20 CBGD CNC(=O)NNC(=O)C1(S(C)(=O)=O)CCCC1 749847240 BYBIUDKYDMREKW-UHFFFAOYSA-N 263.319 -0.696 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@@H]1CN2CCCN1CC2 763959842 VJNKANYZDKLRPV-QMMMGPOBSA-N 294.277 -0.524 50 20 CBGD C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)C(C)(C)O 768260103 RKMZGUNLRYZNMI-MRVPVSSYSA-N 287.360 -0.154 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCCN(CC)C(=O)C1 787324727 JXDASVNCFLQZHB-JTQLQIEISA-N 284.360 -0.514 50 20 CBGD COCCC(C)=NNC(=O)Cc1cc(O)nc(O)n1 814860751 URPCRFATWSVFHL-UHFFFAOYSA-N 268.273 -0.041 50 20 CBGD CC(C)[C@@H](C(=O)NNc1cnnn1C)N1CCCC1=O 816769776 VRPVKXJPVOJJCX-NSHDSACASA-N 280.332 -0.095 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCO[C@@H](CF)C1 827258680 CMLQVYRMVMHFAA-GUBZILKMSA-N 289.307 -0.178 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC(=O)N[C@@H]2CCCC[C@@H]21 828039838 ARINWIYOKHCVQN-MNOVXSKESA-N 296.371 -0.467 50 20 CBGD CCOCC(=O)NNC(=O)NCC[C@]1(O)CCCOC1 845713115 FKNGTWCKUYDCBM-GFCCVEGCSA-N 289.332 -0.715 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCNC2=O)cc1 854211617 NAVUFFFXFGEQSU-NSHDSACASA-N 291.307 -0.343 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CSCCS2)N1 862456669 QYXCSHRHEUUNJM-NKWVEPMBSA-N 289.382 -0.739 50 20 CBGD C[C@H](C(=O)NNC(=O)c1cn[nH]c1)[C@H]1CCC(=O)N1 862469605 QBLKEMTZBLFVJZ-POYBYMJQSA-N 265.273 -0.915 50 20 CBGD O=C1CC[C@@H](C(=O)NNS(=O)(=O)c2cccs2)N1 863413591 JUFQIQJPPBBVSP-LURJTMIESA-N 289.338 -0.664 50 20 CBGD CC1(C)OC[C@H](CNC(=O)c2cccc(B(O)O)c2)O1 863876137 OTIYLZGTMBBDOG-NSHDSACASA-N 279.101 -0.752 50 20 CBGD CCOC1(C(=O)NN(C)C[C@H](C)O)CCOCC1 910140296 ZISCOCDFZDTOPB-JTQLQIEISA-N 260.334 -0.084 50 20 CBGD COC(=O)c1cc(C(=O)NN(C)C[C@H](C)O)c[nH]1 910144430 IIJNIEXCQWSVRZ-ZETCQYMHSA-N 255.274 -0.241 50 20 CBGD C[C@H](O)CN(C)NC(=O)Cn1c(=O)cnc2ccccc21 910176832 DSLMQKRFORVLSX-JTQLQIEISA-N 290.323 -0.260 50 20 CBGD Cc1cc(C(=O)NCC(=O)NN)ccc1[N+](=O)[O-] 917371654 NLTYXPNDUXWIDJ-UHFFFAOYSA-N 252.230 -0.377 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CCCN(CC)C1=O 925966923 XIVYCSJPTRZZEJ-VIFPVBQESA-N 286.332 -0.636 50 20 CBGD Cn1nnc2c1C[C@@H](C(=O)NNC(=O)C1CC1)CC2 1117702965 RBDLDAUUOJNDQJ-QMMMGPOBSA-N 263.301 -0.523 50 20 CBGD Cc1ncc(S(=O)(=O)NNC(=O)[C@H]2CCO[C@@H]2C)[nH]1 1261480239 KFHOIBSCIZLOMB-SVRRBLITSA-N 288.329 -0.547 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1nccnc1N 1318784945 SOJPBUKUCJHTPQ-UHFFFAOYSA-N 294.315 -0.875 50 20 CBGD CNC(=O)NNC(=O)c1ccnc(-n2cccn2)c1 1319017963 SRVPHWBTFLDYBC-UHFFFAOYSA-N 260.257 -0.159 50 20 CBGD CCOC(=O)NNC(=O)c1cn(CC2(C)COC2)nn1 1320167269 ZUYGFDZDBHQUDK-UHFFFAOYSA-N 283.288 -0.295 50 20 CBGD CCNC(=O)N(C)NC(=O)CCc1c(C)nc(O)nc1O 1320790359 UUJQEQRDVUHTPD-UHFFFAOYSA-N 297.315 -0.179 50 20 CBGD COC(=O)Cc1occ(C)c1C(=O)NNC(=O)CO 1323963082 UKUMEXCPVFRVLR-UHFFFAOYSA-N 270.241 -0.943 50 20 CBGD COC(=O)[C@H](NNC(=O)[C@@H]1CCC(=O)N1)c1cccnc1 1329571548 UXXGGRHBIDUOSV-GXSJLCMTSA-N 292.295 -0.805 50 20 CBGD COCCCc1cn(CC(=O)NNC(=O)C(C)C)nn1 1330784638 BGPVQKRBJNFTJT-UHFFFAOYSA-N 283.332 -0.340 50 20 CBGD C[C@@H]1C[C@@H]1C(=O)NNC(=O)C(=O)Nc1ccccn1 1340295684 YOJUWFOZQDSFTJ-SFYZADRCSA-N 262.269 -0.177 50 20 CBGD Cc1cnc(COCC(=O)NNC(=O)c2c[nH]nc2C)o1 1345400436 MCDKRORGVJZEBD-UHFFFAOYSA-N 293.283 -0.008 50 20 CBGD C[C@H](CO)N(C)NC(=O)CC[C@@H]1C[C@H](C(=O)O)CO1 1592761955 LUGLQNMGBMXXSG-KXUCPTDWSA-N 274.317 -0.400 50 20 CBGD O=C(NNC(=O)C1CC1)Nc1cccc(-c2nn[nH]n2)n1 1593157507 CLRGKZMTNRIQRS-UHFFFAOYSA-N 288.271 -0.176 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)Cc1ccc(F)cc1 1593908570 HYIDRVROOZAVGM-SNVBAGLBSA-N 284.243 -0.385 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CCSCC1)c1cn[nH]c1 1594783313 ZKXRCDHQVFLUDI-UHFFFAOYSA-N 298.324 -0.231 50 20 CBGD O=C(Nc1c[nH]nc1C(=O)O)c1ccc(B(O)O)cc1 1594798591 HVTSIBCQBFUTSF-UHFFFAOYSA-N 275.029 -0.960 50 20 CBGD COc1nccnc1NNC(=O)[C@H]1C[C@H]1C(=O)O 1599738307 DEOROLGHWHMGSG-NTSWFWBYSA-N 252.230 -0.351 50 20 CBGD Cc1cc(C(=O)O)nc(N2CC[C@@H](B(O)O)C2)n1 1600127524 QEDSPCXSOVGLBC-SSDOTTSWSA-N 251.051 -0.464 50 20 CBGD Cc1cc(C(=O)O)oc1C(=O)NNC(=O)N1CCOCC1 1600133812 WUTVFRJNAUMQGG-UHFFFAOYSA-N 297.267 -0.027 50 20 CBGD C[C@@H](CC(=O)O)CC(=O)NNC(=O)[C@H]1COCCO1 1604105691 BRBWDJUFJMEWLE-HTQZYQBOSA-N 274.273 -0.950 50 20 CBGD O=C(NC[C@@H]1CC[C@H](C(F)(F)F)O1)NNC(=O)C(=O)O 1608431750 GNUOYWKFIMNZEE-CRCLSJGQSA-N 299.205 -0.489 50 20 CBGD CO[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)C(=O)O 1610235640 PLWFGORUAAPSSQ-RQJHMYQMSA-N 259.262 -0.784 50 20 CBGD C#CCOCCC(=O)NNc1nccnc1OC 131830658 WMNXQIJABQEDEG-UHFFFAOYSA-N 250.258 -0.032 50 20 CBGD CC1CCN(CC(=O)NNC(=O)C(C)(C)O)CC1 190049499 VMSRZYHKXBXMCW-UHFFFAOYSA-N 257.334 -0.363 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCn2ccnc2)[nH]n1 269063978 QZMUHQCABCSIOM-UHFFFAOYSA-N 262.273 -0.234 50 20 CBGD COc1nccnc1NNC(=O)C1=COCCO1 274078596 LIUGQFHNEZXXOV-UHFFFAOYSA-N 252.230 -0.184 50 20 CBGD CC[C@@H](C(=O)NNC(=O)[C@H]1CCCCO1)C(=O)OC 295694469 ZLULLJVXXNZIES-DTWKUNHWSA-N 272.301 -0.098 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 299381178 NWNLCWMMJIDBSS-WRWORJQWSA-N 286.357 -0.257 50 20 CBGD CC(=NNC(=O)C(N)=O)[C@H](C)NC(=O)OC(C)(C)C 497271088 XKAMSLOZMLYOGS-LURJTMIESA-N 272.305 -0.123 50 20 CBGD C[C@H](NC(=O)c1cccc(B(O)O)c1)[C@H](C)n1cccn1 584944131 AWDCQSYJKIRWGE-QWRGUYRKSA-N 287.128 -0.058 50 20 CBGD CO[C@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)C1(C)C 584957657 KHXHLHNBPLABNN-RYUDHWBXSA-N 277.129 -0.090 50 20 CBGD O=C(NC[C@@H]1CCCS1)c1cccc(B(O)O)c1 584958556 PRTJVSHNGIRFRH-NSHDSACASA-N 265.143 -0.008 50 20 CBGD CCO[C@@H]1C[C@H](NCc2cccc(B(O)O)c2)[C@@H]1OC 585035483 UUCRAFJUKWKZDS-MJBXVCDLSA-N 279.145 -0.352 50 20 CBGD CC[C@@H]1CN(CCNCc2cccc(B(O)O)c2)CCO1 585039265 QZMOZYVFBUIWCL-OAHLLOKOSA-N 292.188 -0.433 50 20 CBGD C[C@H](Cc1cnn(C)c1)NCc1cccc(B(O)O)c1 585044229 BQYGRCIRQPPCOD-LLVKDONJSA-N 273.145 -0.179 50 20 CBGD COc1c(C)cc(S(=O)(=O)NCB(O)O)cc1C 585056177 QCYZDYAVXINCPZ-UHFFFAOYSA-N 273.119 -0.398 50 20 CBGD O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCB(O)O 585056874 CTADFJVJYXULEB-SNAWJCMRSA-N 250.019 -0.264 50 20 CBGD Cc1cc2cc(S(=O)(=O)NCB(O)O)ccc2[nH]c1=O 585057749 ZCVSWQHKWGGYCU-UHFFFAOYSA-N 296.113 -0.873 50 20 CBGD O=S(=O)(NCB(O)O)c1cnc(Cl)c(F)c1 585059624 VATQGLALQHBWRJ-UHFFFAOYSA-N 268.462 -0.836 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1CCCOC1 727732983 XKSGVBUQZBMDIY-SECBINFHSA-N 259.306 -0.220 50 20 CBGD CCN1CCCC[C@H]1C(=O)NNC(=O)C(=O)N1CCCC1 729351912 XYYSTQKXQMTHQS-NSHDSACASA-N 296.371 -0.369 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H](O)c1cccnc1 732258265 PJIMCGPZSHMFGN-NSHDSACASA-N 274.280 -0.085 50 20 CBGD Cn1ccnc(NNC(=O)CNC(=O)CC(C)(C)C)c1=O 747942133 XANVQJBCHXDKCR-UHFFFAOYSA-N 295.343 -0.224 50 20 CBGD CN(C)C(=O)Cc1ccc(NC(=O)NNC(=O)CO)cc1 755917830 ZNBFEGCWWKUAJN-UHFFFAOYSA-N 294.311 -0.538 50 20 CBGD C[S@](=O)c1cccc(NC(=O)NNC(=O)CO)c1 756527492 SSYYGBYGNUNNGZ-SFHVURJKSA-N 271.298 -0.431 50 20 CBGD CCC[C@@H](C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758048759 VRHDGGXEZOXERO-HTQZYQBOSA-N 279.362 -0.492 50 20 CBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(C#N)cc1 764212042 OWWATVNQWIIGGX-UHFFFAOYSA-N 289.295 -0.794 50 20 CBGD O=C(CO)NNC(=O)c1ccc(OCC(F)(F)F)nc1 777782785 NSZAFGHWALLDBO-UHFFFAOYSA-N 293.201 -0.224 50 20 CBGD CNC(=O)CCCC(=O)NNC(=O)NCCCOC 780469885 IQDCAZWJXXVKHN-UHFFFAOYSA-N 274.321 -0.730 50 20 CBGD CCC(CC)NC(=O)C(=O)NN=C1C(=O)OC[C@@H]1C 794911794 QJZLZCFXSPUQRJ-ZETCQYMHSA-N 269.301 -0.044 50 20 CBGD COCCC(C)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 814815514 AMYUHGOIEXLBIF-SECBINFHSA-N 277.346 -0.115 50 20 CBGD Cc1cc(C)n(CC(=O)NNc2nnc(C)c(O)n2)n1 817283119 QAYCIPBSMUNYMP-UHFFFAOYSA-N 277.288 -0.158 50 20 CBGD COC[C@@]1(C(=O)O)CCCN1CC(=O)NNC(=O)C1CC1 818329597 ZUVQTKCUAWIVNG-CYBMUJFWSA-N 299.327 -0.891 50 20 CBGD O=C(CSc1n[nH]c(O)n1)NNC(=O)CC1CC1 819144642 QKHVUQYUGFDNRT-UHFFFAOYSA-N 271.302 -0.450 50 20 CBGD Cc1ccn(CC(=O)NNC(=O)c2cccn2C)n1 822231331 LTKGGDWLQRTSOV-UHFFFAOYSA-N 261.285 -0.009 50 20 CBGD CCOc1cnc(C(=O)NN(CC)CCO)cn1 823873602 DRVDCDPIIHRJOD-UHFFFAOYSA-N 254.290 -0.166 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCc2cnn(C)c2C1 823928039 JPRYDXNQNIZQNT-UWVGGRQHSA-N 266.345 -0.131 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C[C@@H]1CCC(=O)N1C 826753459 GAOURFUDRCVBRS-QMMMGPOBSA-N 279.300 -0.510 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCCc2nn[nH]c21 832754186 DWVVJSYZBSAJEM-ZCFIWIBFSA-N 267.289 -0.857 50 20 CBGD O=C(CN1CCC([C@@H]2CCNC2)CC1)NNC(=O)C1CC1 843385338 BIDDQMABBQSISR-CYBMUJFWSA-N 294.399 -0.135 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1[C@H]2CC[C@H]1CNC2 852762127 ZQQPSKNWPLMNEZ-GUBZILKMSA-N 254.334 -0.632 50 20 CBGD O=C(CCOC[C@H]1CCCO1)NNC(=O)c1cc[nH]n1 855359373 PCETXYKATVSJST-SECBINFHSA-N 282.300 -0.244 50 20 CBGD O=C(NCCOC(F)(F)F)NNC(=O)c1cn[nH]c1 858385395 RRLVARMOWOBOFP-UHFFFAOYSA-N 281.194 -0.110 50 20 CBGD CCO[C@@H]1CCCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858694259 KFPGBRULKPVNHX-NXEZZACHSA-N 298.343 -0.493 50 20 CBGD COCC1(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 862460680 JYJYFEFKMMOTSF-QMMMGPOBSA-N 269.301 -0.771 50 20 CBGD C[C@H](Oc1ccccn1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862462102 UPMRMGGGWZGAIP-DTWKUNHWSA-N 292.295 -0.725 50 20 CBGD C#CC[C@@H](CCOC)NC(=O)c1cccc(B(O)O)c1 863889928 HMVNEMGQMSJBCB-ZDUSSCGKSA-N 275.113 -0.475 50 20 CBGD CC(C)[C@H](NC=O)c1nc(-c2cccc(B(O)O)c2)no1 863892975 LXKGBLRVGHZMLI-NSHDSACASA-N 289.100 -0.141 50 20 CBGD CO[C@@H](C)CC(=O)NNC(=O)Cc1cc(C)[nH]n1 869012448 RIEAZKHIWGLPSS-QMMMGPOBSA-N 254.290 -0.167 50 20 CBGD CC[C@@H](OC)C(=O)NNC(=O)Cc1cc(C)[nH]n1 869012623 YLBPZMHLYOJUMR-SECBINFHSA-N 254.290 -0.167 50 20 CBGD CC1=C(C(=O)NN(C)C[C@H](C)O)S(=O)(=O)CCO1 910165708 KPUJJBHJJLAZLN-ZETCQYMHSA-N 278.330 -0.993 50 20 CBGD Cc1coc(C(=O)NNC(=O)CN2CCCC2=O)c1 913730284 PBZOOEMVCKUFBE-UHFFFAOYSA-N 265.269 -0.029 50 20 CBGD NNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 916665626 SIOJQXMIKQOPFO-UHFFFAOYSA-N 298.349 -0.098 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cn[nH]c2)n1 917391664 CSLKWFFWIKBASP-UHFFFAOYSA-N 262.273 -0.316 50 20 CBGD CNC(=O)NNC(=O)Cc1ccccc1S(C)(=O)=O 1117007030 NAKRRJXBPKYNQP-UHFFFAOYSA-N 285.325 -0.407 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1COc2ccccc2C1 1252438838 SLUOLFFVRCJUGO-VIFPVBQESA-N 293.279 -0.507 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cc(C)ns1 1261279005 RQSRJVVQXBTAFG-UHFFFAOYSA-N 256.287 -0.053 50 20 CBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)c1ccccc1 1263699338 MIIWDRZLCVMEAN-WCQYABFASA-N 288.351 -0.164 50 20 CBGD C=CCCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1318165982 FMJGMNSXZJIJHS-QMMMGPOBSA-N 275.330 -0.530 50 20 CBGD O=C(NNC(=O)c1cccc(F)n1)C(=O)N1CCCC1 1320015331 GKWREHHQUWVPAY-UHFFFAOYSA-N 280.259 -0.396 50 20 CBGD COc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)c(O)c1 1320508135 ZAUZEQGHFJILGJ-UHFFFAOYSA-N 295.295 -0.314 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CCO[C@@H](C)C1 1324804623 YWDRIYBAVODPQO-JGVFFNPUSA-N 273.289 -0.695 50 20 CBGD Cc1cc(CNC(=O)NNC(=O)C(=O)N2CCCC2)no1 1324986442 ABKJZJSSQVADFU-UHFFFAOYSA-N 295.299 -0.564 50 20 CBGD CCc1csc(NC(=O)C(=O)NNC(=O)CCO)n1 1325179914 YMHGQXOLXINTCE-UHFFFAOYSA-N 286.313 -0.826 50 20 CBGD Cc1ccn(CC(=O)NNc2nccn(C)c2=O)c(=O)c1 1326560884 ITTKPJVGRVNSRE-UHFFFAOYSA-N 289.295 -0.606 50 20 CBGD O=C(NNc1cccnn1)[C@@H]1CCCS(=O)(=O)C1 1327297910 YKXBWRGHYSBMIU-MRVPVSSYSA-N 270.314 -0.256 50 20 CBGD O=C(NN=Cc1cnc2n1CCC2)C(=O)NC1CC1 1327643051 GJYFYKAGFWIEKG-UHFFFAOYSA-N 261.285 -0.442 50 20 CBGD Cc1[nH]nc(C(=O)N2CC[C@@H](B(O)O)C2)c1[N+](=O)[O-] 1330262526 QPZAZRIPMWVYGK-ZCFIWIBFSA-N 268.038 -0.685 50 20 CBGD O=C(NNc1ncncc1F)C1(CO)CCOCC1 1331425554 MYNQLAJRBFDDIB-UHFFFAOYSA-N 270.264 -0.152 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)c1[nH]nnc1C 1334339895 LHKPTPTUBXKTKZ-UHFFFAOYSA-N 285.304 -0.337 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)cc1 1334619072 ITGGDRIRFKBUKU-WDEREUQCSA-N 291.307 -0.032 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NOCC(F)(F)F)N1 1334905532 BROVXQFDMPXLJS-BYPYZUCNSA-N 284.194 -0.911 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@]2(CCOC2=O)C1 1336871913 FDCIBKVZIXJKDM-CQSZACIVSA-N 289.096 -0.854 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(C(=O)NC)CC1 1340794529 BLZFZCZWJVXFHH-VIFPVBQESA-N 284.360 -0.610 50 20 CBGD COCC1(C(=O)NNc2nccn(C)c2=O)CCOCC1 1343533023 OCQDVPYOYDGYNZ-UHFFFAOYSA-N 296.327 -0.333 50 20 CBGD Nc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)cn1 1549318778 DQGLXMQLSDHYHU-RYUDHWBXSA-N 289.339 -0.023 50 20 CBGD NCCCCC(=O)NNc1ccccc1S(N)(=O)=O 1574276161 TVTVBDGMVFTPKJ-UHFFFAOYSA-N 286.357 -0.094 50 20 CBGD COCCN(CC(C)C)NC(=O)[C@@H]1CNCCO1 1579025578 DAFWYJTUTYOFJZ-NSHDSACASA-N 259.350 -0.390 50 20 CBGD Cn1ccnc(NNC(=O)[C@H]2CCC[C@@H](N)C2)c1=O 1579977122 LIRDXGPVAFSMNS-DTWKUNHWSA-N 265.317 -0.259 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)c1cn[nH]c1)C(=O)O 1589057099 YWPVXPRFUJPQAU-YFKPBYRVSA-N 255.234 -0.926 50 20 CBGD Cc1oc(-c2nn[nH]n2)cc1C(=O)NN(C)C[C@@H](C)O 1592500387 FKKRQFDEJMGCQG-ZCFIWIBFSA-N 280.288 -0.274 50 20 CBGD O=C(NNC(=O)c1cnccc1-c1nn[nH]n1)c1cn[nH]c1 1593159135 AOLQOTAXSVTQSL-UHFFFAOYSA-N 299.254 -0.940 50 20 CBGD C[C@H]1[C@H](C(=O)O)CCN1CC(=O)NNC(=O)C(C)(C)C 1594165666 FIEHFFXHLDSQIV-DTWKUNHWSA-N 285.344 -0.025 50 20 CBGD COC(=O)C(=O)NN[C@@H](C(=O)O)c1ccc(C#N)cc1 1598684906 QPFYYRXUNFNNCA-SECBINFHSA-N 277.236 -0.522 50 20 CBGD CNC(=O)NCC(=O)NNc1ccccc1C(=O)O 1606280671 JJUWHMDNSXLIHH-UHFFFAOYSA-N 266.257 -0.243 50 20 CBGD O=C(O)c1cnc(N2CC[C@@H](B(O)O)C2)c([N+](=O)[O-])c1 1608974478 WFOMLBSSEJAVGR-SSDOTTSWSA-N 281.033 -0.259 50 20 CBGD Cn1cc(C(=O)NN=Cc2ccc(C(=O)O)c(O)c2)nn1 1776092591 TUNHFOFUDKBVOQ-UHFFFAOYSA-N 289.251 -0.017 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@H](C#N)C1 111229771 DZQFJHDSAPUOFJ-RKDXNWHRSA-N 254.290 -0.843 50 20 CBGD CN(C)CC(=O)NNC(=O)CNC(=O)CC1CCCCC1 113427142 YQSINEVHTYXIIU-UHFFFAOYSA-N 298.387 -0.218 50 20 CBGD O=C(CN1C(=O)CNC1=O)NNc1ccc(F)cc1 192875779 QGDJWLPBLWONLL-UHFFFAOYSA-N 266.232 -0.179 50 20 CBGD CN(C)C(=O)NNC(=O)CNC(=O)c1cccc(F)c1 194507777 VIHXALSZJIDGDI-UHFFFAOYSA-N 282.275 -0.142 50 20 CBGD CC(C)N1C[C@H](NC(=O)NNC(=O)c2ccc[nH]2)CC1=O 267535161 AZRORNGTUPGCDA-SECBINFHSA-N 293.327 -0.032 50 20 CBGD C=C(C)[C@H]1OCC[C@H]1C(=O)NNC(=O)CN(C)C 278659996 JBXPWWXFPNMAPG-MWLCHTKSSA-N 255.318 -0.323 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CC[C@H]1C(=O)OC 285201453 RHQPXEJKCUOPON-HTQZYQBOSA-N 271.342 -0.133 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)C1=COCCO1 299209313 FCBNJERPBDYVNW-UHFFFAOYSA-N 269.179 -0.233 50 20 CBGD O=C(CO)NNC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 368262474 GYAQIPKZCYGCNF-UZXYAUHMSA-N 282.340 -0.153 50 20 CBGD N#C[C@@H]1CSCCN1C(=O)c1cc(B(O)O)ccc1F 584970744 SNAWNDZRURSOER-SECBINFHSA-N 294.116 -0.413 50 20 CBGD COC1(CNC(=O)c2cccc(B(O)O)c2)CCC1 584971572 BWCGTENSCUSSQR-UHFFFAOYSA-N 263.102 -0.335 50 20 CBGD C[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@H]1CO 584979351 RMIZZPWBYDUXQR-PELKAZGASA-N 281.092 -0.652 50 20 CBGD CSC1(CNC(=O)c2cccc(B(O)O)c2)CC1 584984340 WPWUHKRDOZAVQF-UHFFFAOYSA-N 265.143 -0.008 50 20 CBGD C[C@H]1CSC[C@H]1NC(=O)c1ccc(B(O)O)cc1 584988749 SXQZFADLQVIKHT-GZMMTYOYSA-N 265.143 -0.152 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)[C@H]1C 584992885 PQZRQTWZYBBWCJ-YUMQZZPRSA-N 251.066 -0.014 50 20 CBGD CC[C@@H](CCO)NCc1ccc(B(O)O)cc1F 585025463 UZCOKZOJVUEBID-NSHDSACASA-N 255.098 -0.244 50 20 CBGD C[C@H](Cn1cnnc1)NCc1ccc(B(O)O)cc1F 585031437 UTAJKLQEOFWHGI-SECBINFHSA-N 278.096 -0.725 50 20 CBGD COCC[C@@H](COC)NCc1ccc(B(O)O)o1 585040972 LIRGTDGFTUAGKO-VIFPVBQESA-N 257.095 -0.900 50 20 CBGD Cc1cccc(N2C[C@H](C(=O)NCB(O)O)CC2=O)c1C 585058730 OEAXEWSPQPNTFJ-LLVKDONJSA-N 290.128 -0.215 50 20 CBGD COC(=O)Cc1ccc(S(=O)(=O)NNC(=O)O)cc1 737630797 LSDGYTMNYFCHQL-UHFFFAOYSA-N 288.281 -0.137 50 20 CBGD O=C(O)CCCNC(=S)NNC(=O)Cc1cccnc1 739681861 SCWIRCPFWBHVMV-UHFFFAOYSA-N 296.352 -0.016 50 20 CBGD CN(C)C(=O)NNC(=O)Cn1ccc([N+](=O)[O-])n1 746001671 RRYUWCVWIHRRJI-UHFFFAOYSA-N 256.222 -0.906 50 20 CBGD Cc1cc(C(=O)NNC(=O)CO)nn1-c1cccc(C#N)c1 753443144 SJRUXZQJIZGGLN-UHFFFAOYSA-N 299.290 -0.194 50 20 CBGD CCC[C@@](C)(O)C(=O)NNC(=O)Cc1cc[nH]n1 755269545 SLQCDMTUJUZOJB-LLVKDONJSA-N 254.290 -0.349 50 20 CBGD O=C(CO)NNC(=O)N=c1cc[nH]cc1Br 757805941 QEWVIQIDOUNPDZ-UHFFFAOYSA-N 289.089 -0.589 50 20 CBGD C[S@](=O)c1cccc(C(=O)NNC(=O)CO)c1 771738778 NRILEJOFZGSXMD-KRWDZBQOSA-N 256.283 -0.823 50 20 CBGD CCOC(=O)c1ccc(S(=O)(=O)NNC(C)=O)o1 775249614 ZVVSEWUAXYHILI-UHFFFAOYSA-N 276.270 -0.214 50 20 CBGD COC(=O)CNC(=O)NN=Cc1ccc(C(=O)O)[nH]1 779821075 NHTDIXBKVQKKIP-UHFFFAOYSA-N 268.229 -0.481 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)N=c2cc[nH]cc2)CC1 802025328 BAOZAFITIUBHFU-UHFFFAOYSA-N 292.295 -0.001 50 20 CBGD O=C(CN[C@H](C(=O)O)c1ccccc1)NNC(=O)C1CC1 821388886 WEDAQGYUQOVZGO-LBPRGKRZSA-N 291.307 -0.041 50 20 CBGD CC(=O)N[C@](C)(C(=O)NN(C)[C@@H](C)CO)C(C)C 823384042 AGGGSZJDCRFDJO-CABZTGNLSA-N 259.350 -0.119 50 20 CBGD CC(=NNC(=O)c1cnn(C)c1)c1cn(CC(=O)O)nn1 825804374 HAIUWWVRQHDINL-UHFFFAOYSA-N 291.271 -0.750 50 20 CBGD Cc1cc(NNC(=O)C2(N(C)C)CC2)nc(N)n1 828371675 NKMZQTSHVGGMSP-UHFFFAOYSA-N 250.306 -0.095 50 20 CBGD COC[C@@H](OC)C(=O)NNc1ccc(C(=O)OC)cn1 831290424 ISQCYNYQDCGZJF-SECBINFHSA-N 283.284 -0.027 50 20 CBGD C#CCOCCC(=O)NNC(=O)[C@H]1CCCCO1 833246156 DWQPFTRVIPKAFS-SNVBAGLBSA-N 254.286 -0.257 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)[C@@]2(O)CCOC2)cc1 840240039 GZAGZOAGXFLRQE-CQSZACIVSA-N 294.307 -0.327 50 20 CBGD CCC(=O)N1CC[C@H](C(=O)NN(C)CCOC)C1 848377807 CGVUVTUWZHJOQY-JTQLQIEISA-N 257.334 -0.146 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=S)NCC2CCC2)N1 855091607 WYSJWAWUYQZNLW-QMMMGPOBSA-N 270.358 -0.440 50 20 CBGD C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)CN(C)C)C1 857855688 WIPSHHNXARIKJO-WPRPVWTQSA-N 279.344 -0.215 50 20 CBGD COC[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 858311318 FBDUYKQYXFOPBA-IUCAKERBSA-N 284.316 -0.980 50 20 CBGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2cn[nH]c2)[C@@H]1OC 858371993 LDQFSSCZPPAYEF-AEJSXWLSSA-N 297.315 -0.454 50 20 CBGD C[C@H]1COC(C)(C)CN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858699074 INPQRTCTTPMGSS-IUCAKERBSA-N 298.343 -0.495 50 20 CBGD Cc1ccc(/C=C/C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 862461893 SKPJWIBOCZVLSW-MALLOTDXSA-N 288.307 -0.171 50 20 CBGD CCCC[C@H](NNC(=O)[C@@H]1CCC(=O)N1)C(=O)OC 863378949 LIYHDPOOJRXIMA-IUCAKERBSA-N 271.317 -0.382 50 20 CBGD O=C(NNS(=O)(=O)N1CCCCC1)c1cn[nH]c1 863413930 NLBZWDWKZQWZHZ-UHFFFAOYSA-N 273.318 -0.625 50 20 CBGD CCN(CC(=O)OC)C(=O)c1cccc(B(O)O)c1 863874691 WWPOLZOSWYICBH-UHFFFAOYSA-N 265.074 -0.999 50 20 CBGD CC1(C)OCC(NC(=O)c2cccc(B(O)O)c2)CO1 863879606 WOFTUNMWTQJADE-UHFFFAOYSA-N 279.101 -0.752 50 20 CBGD C#CC[C@H](CCOC)NC(=O)c1cc(B(O)O)ccc1F 863890429 OWAZSXLGWVAMHD-LLVKDONJSA-N 293.103 -0.336 50 20 CBGD COCCOCC(=O)NNC(=O)CCc1cncs1 869903281 AAMUOZZPSHNFIT-UHFFFAOYSA-N 287.341 -0.114 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2CC23CCC3)N1 873080608 QXFDCVGMWMQBQT-SFYZADRCSA-N 266.301 -0.462 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@@H](O)C1)[C@H]1COc2ccccc2O1 873751814 XIVSQAXLODBKAR-VDDIYKPWSA-N 292.291 -0.255 50 20 CBGD Cn1ccc(NC(=O)NNC(=O)C2CCOCC2)n1 878521966 GXSWQEFCBDBTKR-UHFFFAOYSA-N 267.289 -0.001 50 20 CBGD COCCN(C)NC(=O)C(F)(F)C(=O)N1CCOCC1 883128790 VUMFKJAZDDSJLF-UHFFFAOYSA-N 295.286 -0.910 50 20 CBGD C=CC(=O)N(CC)CC(=O)NNC(=O)[C@H]1CCCCO1 908517641 OVAQQIQEWHBNMH-SNVBAGLBSA-N 283.328 -0.263 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCCCS1(=O)=O 910151232 AVJJLACASGZMGS-BDAKNGLRSA-N 264.347 -0.703 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cccc(C#CCO)c1 910182956 KISMCZXVZIZTHV-NSHDSACASA-N 262.309 -0.012 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)Cn1nc(C)cc1C 913025746 ACWHCOXREKCRIA-VIFPVBQESA-N 281.316 -0.828 50 20 CBGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)CN)nc21 1118267437 FBOBPRCAISVVDP-UHFFFAOYSA-N 279.304 -0.311 50 20 CBGD O=C(NN=C1CCN(CCO)CC1)C1CCOCC1 1119302663 HNTKDSSIVKGELU-UHFFFAOYSA-N 269.345 -0.027 50 20 CBGD NC(=O)c1cc(C(=O)NNC(=O)Cc2cccnc2)co1 1254792989 HMEJDEDTQYOEGV-UHFFFAOYSA-N 288.263 -0.223 50 20 CBGD O=C(NN=Cc1cnc2n1CCOC2)c1cc[nH]n1 1262167623 UHJIQKMYJSPARE-UHFFFAOYSA-N 260.257 -0.100 50 20 CBGD CCn1cc(S(=O)(=O)NNC(=O)N(C)C)cn1 1318199511 LLCHEYHXYYQMAI-UHFFFAOYSA-N 261.307 -0.633 50 20 CBGD CC(=O)NNS(=O)(=O)c1sc(NC(C)=O)nc1C 1320526671 BHIWYOXUUCKGON-UHFFFAOYSA-N 292.342 -0.261 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)C(=O)NCC(F)F)n1 1322026418 DLYVRZNXBWCDCE-UHFFFAOYSA-N 294.649 -0.463 50 20 CBGD COc1cccnc1CC(=O)NNc1nnc(C)c(O)n1 1323497661 KSTCOEHHGFTOMB-UHFFFAOYSA-N 290.283 -0.025 50 20 CBGD CC(C)C(=O)N[C@@H](CO)C(=O)N1CC=C(C#N)CC1 1324089509 DHDFJOSDTIMJNG-NSHDSACASA-N 265.313 -0.198 50 20 CBGD CN(C)N(C(=O)CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1324128318 MKNHSUDMCHJODF-VIFPVBQESA-N 278.374 -0.360 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1cccc(N(C)C)n1 1324435063 WWTBKRZDXLJXFK-UHFFFAOYSA-N 295.299 -0.849 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H]1NC(=O)O[C@@H]1C 1327455631 PTRUGHPEDNHTND-RITPCOANSA-N 260.319 -0.613 50 20 CBGD COC[C@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)C[C@H](C)O1 1328803534 DMTLARZPKZQMPX-WCBMZHEXSA-N 297.315 -0.500 50 20 CBGD Cn1cc(CCC=NNC(=O)[C@@H]2CCC(=O)N2)cn1 1329110612 LDRWFARUHRWWPT-JTQLQIEISA-N 263.301 -0.267 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cn1cc(C2CC2)nn1 1329540035 QSASENCHZCXXKR-WPRPVWTQSA-N 293.327 -0.272 50 20 CBGD COC(=O)NCCCC(=O)N1CC[C@@H](B(O)O)C1 1329672803 RKEJRNOGWGNDCT-MRVPVSSYSA-N 258.083 -0.802 50 20 CBGD Cc1cnccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1330516529 LWBDJEAYPCPIFS-SECBINFHSA-N 262.269 -0.570 50 20 CBGD CC(C)N(C)CCNC(=O)NNC(=O)c1cccnn1 1330841033 MHXUKTIVQCWUAN-UHFFFAOYSA-N 280.332 -0.239 50 20 CBGD COC(=O)CCCNC(=O)NNC(=O)c1cn[nH]c1 1330940706 JTBTYVQQUKNSRJ-UHFFFAOYSA-N 269.261 -0.693 50 20 CBGD CN(C)CCn1nccc1C(=O)NNc1ccncn1 1332127267 KDURPUGFWIGUAQ-UHFFFAOYSA-N 275.316 -0.008 50 20 CBGD NC(=O)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1 1332354443 JBXDTPHLGSTNBV-UHFFFAOYSA-N 273.252 -0.881 50 20 CBGD Cc1cnc2c(C(=O)N3CC[C@H](B(O)O)C3)cnn2c1 1339182203 CDQLIQRGTMIEIW-VIFPVBQESA-N 274.089 -0.273 50 20 CBGD CN(NC(=O)c1ccnc(-n2ccnc2)c1)C(N)=O 1341604405 SURHOCAXCWTAJE-UHFFFAOYSA-N 260.257 -0.077 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1cncnc1N(C)C 1342635243 JMRHEOCFFVMGMN-UHFFFAOYSA-N 296.287 -0.742 50 20 CBGD COc1cccc(NC(=O)C(=O)NNC(=O)CCO)c1C 1348345447 WQZYQRRMXNCFDJ-UHFFFAOYSA-N 295.295 -0.528 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 1350778721 PIKHLEMWVPRZLC-DVVUODLYSA-N 252.318 -0.133 50 20 CBGD C=C[C@](C)(O)CC(=O)NNC(=O)C1CCOCC1 1353030165 MTLYZKKQYMIYCA-LBPRGKRZSA-N 256.302 -0.113 50 20 CBGD O=C(NN=Cc1cc[nH]n1)[C@H]1CN2CCC[C@H]2CO1 1549317859 NBAPGHODDGCEHQ-WDEREUQCSA-N 263.301 -0.277 50 20 CBGD Cn1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)n1 1549319933 JQCZMJKGOGVVBB-RYUDHWBXSA-N 277.328 -0.267 50 20 CBGD C=C(C)C[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)O 1588543841 OUNITXXRXHREOU-NSHDSACASA-N 295.075 -0.345 50 20 CBGD O=C(NNC(=O)[C@H]1CCCO1)c1ccc(-c2nn[nH]n2)[nH]1 1593156138 MHJXVSWFCVQYLP-MRVPVSSYSA-N 291.271 -0.865 50 20 CBGD CCCCNC(=O)NNC(=O)c1cc(C(=O)O)nn1C 1595760272 YJNDUNUMRSQUEX-UHFFFAOYSA-N 283.288 -0.138 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1ccc(C(=O)O)nc1 1598196511 HBNFKFXIDCVSNM-UHFFFAOYSA-N 281.272 -0.506 50 20 CBGD COc1cc(C(=O)O)ccc1NNC(=O)[C@H](C)NC(N)=O 1599377290 RBYFQSBVAQDCMY-LURJTMIESA-N 296.283 -0.107 50 20 CBGD Cc1cccc(CNC(=O)NNC(=O)C(=O)O)n1 1600531467 AJIBCANACFRTTO-UHFFFAOYSA-N 252.230 -0.695 50 20 CBGD O=C(O)CC[C@@H]1CC[C@H](C(=O)NNc2nc[nH]n2)O1 1602036489 YXOSVVNFXKUOOK-NKWVEPMBSA-N 269.261 -0.340 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@](C)(C#N)CC(=O)O 1603479651 HMBCMIRZUFQTHA-SXMVTHIZSA-N 283.284 -0.437 50 20 CBGD C[C@H](Cl)C(=O)NCCCN1CCS(=O)(=O)CC1 1887504206 QQMONANJVOKVFM-VIFPVBQESA-N 282.793 -0.150 50 20 CBGD COCCOCCNC(=O)NNC(=O)c1ccccc1O 47050197 RIKCPKUKIJTRKL-UHFFFAOYSA-N 297.311 -0.001 50 20 CBGD Cc1ccccc1CC(=O)NNC(=O)CN(C)C[C@@H](C)O 159522989 BGFZALNQBIFBMW-GFCCVEGCSA-N 293.367 -0.002 50 20 CBGD COC[C@@H](O)CCNS(=O)(=O)CCCCl 230188768 GOEJWZSUNLYGJA-QMMMGPOBSA-N 259.755 -0.068 50 20 CBGD CC(C)CNC(=O)/C(C#N)=C\c1cn(C)c(=O)n(C)c1=O 255491645 GCLPTBBOLYGJTG-YHYXMXQVSA-N 290.323 -0.237 50 20 CBGD CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)C(=O)Nc1ccccn1 268226909 DKTPGYOJYAUDJO-DTWKUNHWSA-N 292.295 -0.408 50 20 CBGD NNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 270245778 SPPQVJRQFMSFEG-CYBMUJFWSA-N 274.280 -0.630 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@H]2CC(=O)N(C)C2)nc1 270363182 JOSCFCSQDKWGMQ-VIFPVBQESA-N 292.295 -0.210 50 20 CBGD COC(=O)C1(C(=O)NNC(=O)NCC(F)(F)F)CC1 281230786 MYFCVTOAAYEVNL-UHFFFAOYSA-N 283.206 -0.168 50 20 CBGD CN(C)C(=O)CNC(=O)NNc1cccc(F)n1 286640584 MWXXVKNPKZFNNG-UHFFFAOYSA-N 255.253 -0.065 50 20 CBGD O=C(CCn1cc([N+](=O)[O-])cn1)NNC(=O)[C@@H]1CCCO1 294590535 IHDFMKYEGGBQJZ-VIFPVBQESA-N 297.271 -0.492 50 20 CBGD O=S(=O)(CCCCCl)NCCn1ncnn1 379999748 XLGITVXFIPGVBA-UHFFFAOYSA-N 267.742 -0.389 50 20 CBGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(C)=O)c1 491125685 GKTUTMPPRMNYAD-UHFFFAOYSA-N 295.320 -0.621 50 20 CBGD O=C(COC[C@H]1CCOC1)Nc1cccc(B(O)O)c1 584912379 MZEWJCGAJVQFDP-JTQLQIEISA-N 279.101 -0.642 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H](O)C2(CC2)C1 584977155 NEOZJOXMIWGVRZ-LLVKDONJSA-N 279.076 -0.898 50 20 CBGD C[C@H]1C[C@H](O)CN1C(=O)c1cc(B(O)O)ccc1F 584980142 RNORQBBTYPPIJT-CBAPKCEASA-N 267.065 -0.899 50 20 CBGD CC[C@H]1CN(C)CCN1C(=O)c1ccc(B(O)O)cc1 584994061 CSAOQDOZVRKERP-ZDUSSCGKSA-N 276.145 -0.467 50 20 CBGD C=CCC[C@H](CO)NC(=O)c1cc(B(O)O)ccc1F 584999767 LNSMNBQMNACGNP-SNVBAGLBSA-N 281.092 -0.438 50 20 CBGD C[C@H]1SCC[C@@H]1NC(=O)c1cccc(B(O)O)c1 585003594 UTSNQICYKJMKDG-KCJUWKMLSA-N 265.143 -0.010 50 20 CBGD CC(C)CC(=O)N[C@@H](C(=O)NCB(O)O)C(C)C 585056143 POTQBOXJLAZLJQ-SNVBAGLBSA-N 258.127 -0.699 50 20 CBGD CC(C)n1cnc(S(=O)(=O)N2CC[C@H](B(O)O)C2)c1 585059120 ZRFHOGWJLFKQPC-VIFPVBQESA-N 287.150 -0.299 50 20 CBGD O=C(NCB(O)O)c1cccc(OC[C@H]2CCCO2)c1 585061390 WVNCIZRQEWRADQ-GFCCVEGCSA-N 279.101 -0.014 50 20 CBGD COc1ccc(NC(=O)C(=O)N2CC[C@H](B(O)O)C2)cc1 585070082 VXJPACUTCLKSRY-VIFPVBQESA-N 292.100 -0.291 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)Cn1ccccc1=O 728893149 ILVUKUGLBDQXAC-UHFFFAOYSA-N 286.291 -0.367 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@H]1CCCOC1 731282931 YWVJHZQJYBMUHP-SECBINFHSA-N 259.306 -0.220 50 20 CBGD COCC[C@H](C)NC(=O)NNC(=O)c1cnn(C)c1 735513270 QPHGGOBEPGAYIC-QMMMGPOBSA-N 269.305 -0.211 50 20 CBGD O=C(O)NCCCC(=O)NNC(=O)Cc1ccccn1 739957604 XFLOKJPGPLHKBR-UHFFFAOYSA-N 280.284 -0.181 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H](C)c1cnn(C)c1 745838159 KLHSCNSCLQIOAZ-MRVPVSSYSA-N 269.305 -0.152 50 20 CBGD O=C(NNC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)N1CCCC1 748247848 VWWLXPCONOADNE-UHFFFAOYSA-N 295.255 -0.694 50 20 CBGD COC[C@](C)(O)C(=O)NNc1nc(C)cc(OC)n1 755020543 IDTNKJMGTKRJLK-NSHDSACASA-N 270.289 -0.366 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cc2n(n1)CCCO2 768245487 SHHKGQYIKQVWLI-UHFFFAOYSA-N 268.273 -0.803 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@H]1CCCCO1 772222751 VZTPUZAKHOXDKZ-SECBINFHSA-N 257.290 -0.372 50 20 CBGD COC(=O)C1(CNC(=O)NNC(=O)C(C)C)CC1 776950116 BWBYXNOLESIAAB-UHFFFAOYSA-N 257.290 -0.074 50 20 CBGD C[C@H]1C[C@H](C(=O)NNC(=O)c2cnn(C)c2)CO1 784112795 ONCBGPHDKMUGSX-YUMQZZPRSA-N 252.274 -0.394 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CO[C@H](C)C2)n[nH]1 784159053 YLJZIZVCCMVKMG-HTQZYQBOSA-N 252.274 -0.096 50 20 CBGD O=C(CO)NNC(=O)c1cnc(O)c2ccccc12 788005152 ZRHJXYSALBIECK-UHFFFAOYSA-N 261.237 -0.306 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1COCCO1 790063520 LLGBAWPGNALCDQ-SECBINFHSA-N 290.316 -0.662 50 20 CBGD CCCCNC(=O)NNC(=O)C1(S(C)(=O)=O)CC1 792084631 SMRAJGSXULKROZ-UHFFFAOYSA-N 277.346 -0.306 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CCCc2nn(C)cc21 798929472 UMGXFUQNRXQKTE-SSDOTTSWSA-N 251.290 -0.200 50 20 CBGD Cc1occc1C(=O)NCC(=O)NNc1nc[nH]n1 816632532 MYOQJWUZICVBMM-UHFFFAOYSA-N 264.245 -0.421 50 20 CBGD CC(C)[C@H](C(=O)NNc1cnnn1C)N1CCCC1=O 816769775 VRPVKXJPVOJJCX-LLVKDONJSA-N 280.332 -0.095 50 20 CBGD CCNC(=O)NNC(=O)Cc1cccc(-c2nn[nH]n2)c1 821292471 BKAMGBOSSJHHGZ-UHFFFAOYSA-N 289.299 -0.241 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CCCCN1S(C)(=O)=O 823842782 YRHUFEAOCCCTOU-SNVBAGLBSA-N 293.389 -0.854 50 20 CBGD C[C@H](CO)N(C)NC(=O)CCCn1ccccc1=O 823952979 WBJZCXWBZCHQGG-LLVKDONJSA-N 267.329 -0.028 50 20 CBGD CC(C)NC(=O)NNC(=O)C[C@H]1CCC(=O)N1C 824403980 ILKCKASIFMODQJ-MRVPVSSYSA-N 256.306 -0.264 50 20 CBGD CCOC(=O)[C@@H](C)[C@H](C)NCC(=O)NNC(=O)C(C)C 828846177 ASFHUJSKADXYCM-UWVGGRQHSA-N 287.360 -0.033 50 20 CBGD COc1ncc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cn1 843653112 WDQIMSPANXCHLR-APPZFPTMSA-N 280.284 -0.329 50 20 CBGD O=C(NNS(=O)(=O)N1C[C@H]2CC[C@H]1C2)c1cc[nH]n1 849310644 IJRAMROLWDBNAN-YUMQZZPRSA-N 285.329 -0.627 50 20 CBGD CO[C@@H](C(=O)NNC(=O)c1cc[nH]n1)c1cnn(C)c1 855356462 RQHWYTRLCCOABB-SECBINFHSA-N 278.272 -0.708 50 20 CBGD CN(NC(=O)c1cnns1)C(=O)N1CCNCC1 857766271 OXNSHDWCWDUNNU-UHFFFAOYSA-N 270.318 -0.860 50 20 CBGD O=C(CCN1CCCC1=O)NNC(=O)c1cn[nH]c1 862471659 JRZSOHJGOISWHR-UHFFFAOYSA-N 265.273 -0.817 50 20 CBGD CCOC(=O)C1(CNCc2cccc(B(O)O)c2)CC1 863890849 FYHGWJGFADSZNK-UHFFFAOYSA-N 277.129 -0.201 50 20 CBGD Cc1cc(CC(=O)NNC(=O)CN(C)C(C)C)n[nH]1 869012239 KRZVSRMIEOCSRO-UHFFFAOYSA-N 267.333 -0.252 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccnc(F)c1 869909002 FERIXMXTXFTLGD-UHFFFAOYSA-N 271.248 -0.355 50 20 CBGD O=C(CO)NNC(=O)[C@@]1(c2ccccc2)CCCO1 897607079 YMRZCUJPQDDDHS-ZDUSSCGKSA-N 264.281 -0.168 50 20 CBGD CO[C@]1(C(=O)N2CC[C@@H](B(O)O)C2)CCSC1 902552494 NELYGGPSWSLFLF-PSASIEDQSA-N 259.136 -0.416 50 20 CBGD CC[C@H](C(=O)NNC(=O)CN1CCCC1=O)N(CC)CC 913731156 WOOKULUDUPDTIH-LLVKDONJSA-N 298.387 -0.123 50 20 CBGD CO[C@@](C)(C(=O)NNC(=O)CN1CCCC1=O)C1CC1 913732957 PPWJTLGPWSEMFP-CYBMUJFWSA-N 283.328 -0.429 50 20 CBGD CSC[C@H](C(=O)NN)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 916665509 BZWGDMASVKOYMZ-XHNCKOQMSA-N 285.369 -0.117 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CCCS1 1116250136 HWMQUZPVBWFDGL-LURJTMIESA-N 261.303 -0.615 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CCc2n[nH]cc2C1 1116581804 QVZAQHIXSHIYIV-QMMMGPOBSA-N 288.311 -0.372 50 20 CBGD COCCn1ccc(NC(=O)NNC(=O)CCO)n1 1116617346 ZEVXNOKYVMNBII-UHFFFAOYSA-N 271.277 -0.935 50 20 CBGD CN1C(=O)CN(CC(=O)N2CC=C(C#N)CC2)C1=O 1118908735 JXUYVRWTBZGPDR-UHFFFAOYSA-N 262.269 -0.437 50 20 CBGD C[C@H](NC(=O)NNc1cccnn1)c1ncnn1C 1320664583 NNHKAOWLQZHPDX-ZETCQYMHSA-N 262.277 -0.008 50 20 CBGD CON=CC(=O)NNC(=O)c1cncc(NC(C)=O)c1 1323732819 YZRUBQGKANPYRO-UHFFFAOYSA-N 279.256 -0.567 50 20 CBGD CCCn1cc(NC(=O)NNC(=O)CCO)cn1 1323927441 OHFVKFBTMYYINY-UHFFFAOYSA-N 255.278 -0.172 50 20 CBGD CN(C)N(C(=O)c1cccnc1O)[C@H]1CCS(=O)(=O)C1 1324127321 DHQVSGHXJPLKFW-VIFPVBQESA-N 299.352 -0.107 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cnn(C3CC3)c2)N1 1329275865 ZWVAUCWQHLQKNN-SECBINFHSA-N 277.284 -0.742 50 20 CBGD CCCNC(=O)NNC(=O)c1cn(C)c(=O)n1C 1331923131 XBBOARRSAPFANZ-UHFFFAOYSA-N 255.278 -0.922 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CCn2cncc2C1 1334440269 KHZSQVJYLNVIML-MRVPVSSYSA-N 267.358 -0.087 50 20 CBGD CCC[C@@H](NCc1ccccc1B(O)O)C(=O)O 1335319445 ONRKSLABRFUVSR-LLVKDONJSA-N 251.091 -0.291 50 20 CBGD CC[C@@H]1C[C@@H](C(=O)NNC(=O)C(=O)NC2CC2)CCO1 1337452733 SIRQFLLXMXHRQA-WCBMZHEXSA-N 283.328 -0.382 50 20 CBGD NNC(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2 1346045557 FFWBCGMYQJVJBD-UHFFFAOYSA-N 255.299 -0.574 50 20 CBGD O=C(c1cccc(-n2cnnn2)c1)N1CC[C@H](B(O)O)C1 1348490104 MXXMUFKBNQIKOA-JTQLQIEISA-N 287.088 -0.649 50 20 CBGD O=C(NCCCC(F)F)NNC(=O)C(=O)NC1CC1 1354193748 PLRLFPAGKFATDP-UHFFFAOYSA-N 278.259 -0.359 50 20 CBGD Cn1cc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)cn1 1549317423 WICFXDKELMFQHG-RYUDHWBXSA-N 277.328 -0.267 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CC1CCNCC1 1576929430 NQSGXAKGSLSGGT-SNVBAGLBSA-N 270.377 -0.136 50 20 CBGD O=C(NNC(=O)[C@]12CNC[C@@H]1C2)C1CCOCC1 1580735636 AHKKEMRMXZIIRU-JOYOIKCWSA-N 253.302 -0.830 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1 1588845303 FEPRRPPJXXUOLI-BWZBUEFSSA-N 287.341 -0.454 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1CC(C(=O)O)=NO1 1588928145 SXJWQYDQHXWSIP-LURJTMIESA-N 274.302 -0.880 50 20 CBGD O=C(NNC(=O)C(F)F)c1cccc(-c2nn[nH]n2)c1 1593154715 FULYXOPYQSNDFV-UHFFFAOYSA-N 282.210 -0.107 50 20 CBGD CC[C@H](C)C(=O)NNS(=O)(=O)CCC(=O)O 1594866072 OWKNFRVHZLNVJH-LURJTMIESA-N 252.292 -0.542 50 20 CBGD COC(=O)N(C)NC(=O)Nc1ccc(C(=O)O)nn1 1598876598 YKEZWQRTFAZARA-UHFFFAOYSA-N 269.217 -0.091 50 20 CBGD O=C(O)[C@@H]1C[C@H](O)CN(S(=O)(=O)CCCCl)C1 1601766961 CGGGQBRXYDJSQF-SFYZADRCSA-N 285.749 -0.288 50 20 CBGD O=C(O)C[C@@H](CNC(=O)NNC(=O)[C@H]1CCCO1)C1CC1 1601892315 OMRYVJCSVKBPAU-VHSXEESVSA-N 299.327 -0.003 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@H](CC)C(=O)O 1603835200 SESLMFURJYXKDK-ZETCQYMHSA-N 261.278 -0.536 50 20 CBGD Cc1cc(C(=O)NNC(=O)C[C@@H](C)CC(=O)O)n[nH]1 1607580236 MJCPSJRTFHHLKL-ZCFIWIBFSA-N 268.273 -0.020 50 20 CBGD O=C(Cn1cncn1)NNC(=O)NC1CCCC1 49430906 HEPGJLISNHNHKX-UHFFFAOYSA-N 252.278 -0.449 50 20 CBGD CN(C)CC(=O)NNC(=O)CN(C)C(=O)c1cccs1 75653605 LCKDPTQIYMZMIW-UHFFFAOYSA-N 298.368 -0.471 50 20 CBGD CCNC(=O)NNC(=O)CCC(=O)N(CC)CC 127723682 JHRGSKJCPFVVME-UHFFFAOYSA-N 258.322 -0.015 50 20 CBGD CC(C)N(C)CC(=O)NNC(=O)C(=O)N1CCCC1 134169070 LARIPZQIKBEOHR-UHFFFAOYSA-N 270.333 -0.904 50 20 CBGD CC[C@H](C(=O)NNC(=O)c1cc(C)n[nH]1)N1CCCC1=O 151228746 TUUVBUVGRRVLPH-SNVBAGLBSA-N 293.327 -0.120 50 20 CBGD CCc1ccccc1OCC(=O)NNC(=O)CO 180952917 PQLWKGJOBWBMHQ-UHFFFAOYSA-N 252.270 -0.233 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNC(=O)COCc1ccccc1 274934155 OADZDKMWLZYHGF-VIFPVBQESA-N 294.311 -0.593 50 20 CBGD CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)CC1CC1 294259363 UHHJQSPHJQQYJA-SNVBAGLBSA-N 253.302 -0.055 50 20 CBGD C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)CO 494436655 ZKMPRFZBFFQEHU-VIFPVBQESA-N 295.295 -0.559 50 20 CBGD CN(C[C@H]1CCOC1)C(=O)c1cc(B(O)O)ccc1F 584960881 OIBGENUKQCRTQP-SECBINFHSA-N 281.092 -0.386 50 20 CBGD C[C@@H]1CN(C)CC[C@@H]1NCc1ccc(B(O)O)cc1F 585022585 RQQPWLUBPADVTD-YGRLFVJLSA-N 280.152 -0.065 50 20 CBGD OC[C@@H](CNCc1ccc(B(O)O)o1)c1ccccc1 585025884 GAUNPRBMQOWMKL-GFCCVEGCSA-N 275.113 -0.175 50 20 CBGD OB(O)c1ccc(CN[C@@H]2C[C@H]3CC[C@H]2O3)c(F)c1 585028706 OQKJWZFZVUCVMX-RAIGVLPGSA-N 265.093 -0.085 50 20 CBGD Cc1c(CCNCc2ccc(B(O)O)o2)cnn1C 585029104 VEBBNUFBTUFRKE-UHFFFAOYSA-N 263.106 -0.666 50 20 CBGD O=S(=O)(NCB(O)O)c1cncc(Cl)c1 585055727 IDLQLIJTCPOBNN-UHFFFAOYSA-N 250.472 -0.975 50 20 CBGD O=C(NCB(O)O)[C@H]1CCCN1Cc1ccc(F)cc1 585060160 BIKRKGBBSBFWCD-GFCCVEGCSA-N 280.108 -0.082 50 20 CBGD NC(=O)CNC(=S)NNC(=O)c1cccc(Cl)c1 727066536 QCJVHOQYCXBAPW-UHFFFAOYSA-N 286.744 -0.066 50 20 CBGD COC[C@H](C)CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 737065595 UHARAYSOHQPIQD-MWLCHTKSSA-N 293.389 -0.350 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)[C@@H]1CCOC1 741764450 JXKVQHRFZPJABG-DTWKUNHWSA-N 277.346 -0.547 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1CCCCN1S(C)(=O)=O 746004099 ZXXCNMRKTBFFLN-MRVPVSSYSA-N 292.361 -0.897 50 20 CBGD Cn1cc(C(=O)NNC(=O)Cc2ccncc2)cn1 747429424 LIHOQVVXPLFHMX-UHFFFAOYSA-N 259.269 -0.181 50 20 CBGD Cn1[nH]cnc1=NC(=O)NNC(=O)Cc1cccnc1 757759965 CVGQWOFWPYOSDC-UHFFFAOYSA-N 275.272 -0.973 50 20 CBGD Cc1cccc(NC(=O)C(=O)NNC(=O)CO)c1C 764420177 AMCRIPMHECFVAV-UHFFFAOYSA-N 265.269 -0.618 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](O)C1CC1 772099360 VPVSAEMWXFLQTQ-MUWHJKNJSA-N 258.274 -0.754 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@@H](CO)C(=O)OCC 782760222 PSLAOYRTJYWWOG-FUOZMLNRSA-N 256.258 -0.529 50 20 CBGD CCOCCC=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 788424765 AYSVKZLIEPBMTK-SECBINFHSA-N 277.346 -0.115 50 20 CBGD Cc1cc(C(=O)NNC(=O)C2=CCOCC2)n[nH]1 793749471 LOTIQLFHHLEWGZ-UHFFFAOYSA-N 250.258 -0.174 50 20 CBGD COc1ccc(C(=O)NNC(=O)CO)c(C)c1OC 807197977 GOZWBCJUQXONDT-UHFFFAOYSA-N 268.269 -0.234 50 20 CBGD NS(=O)(=O)c1ccc2c(c1)C(=NNC(=O)CO)CCC2 811646652 GQNRMBIMZKXLEE-UHFFFAOYSA-N 297.336 -0.517 50 20 CBGD Cc1cc(C(=O)NNC(=O)CSCC(=O)O)n[nH]1 818797823 ZIYKUUVFVQYPHP-UHFFFAOYSA-N 272.286 -0.703 50 20 CBGD CCOC(=O)[C@@H](CC(=O)NNC(=O)NC(C)C)C(C)=O 824404612 UBHIRMHASIOMPP-VIFPVBQESA-N 287.316 -0.116 50 20 CBGD CC(C)C1(C(=O)NNC(=O)c2cn[nH]c2)COC1 827016047 NSNJXKHTWPGAHY-UHFFFAOYSA-N 252.274 -0.157 50 20 CBGD CC(C)N1CCC[C@@H]1C(=O)NNC(=O)CS(C)(=O)=O 827588278 PXDVBVYJMPIAHZ-SECBINFHSA-N 291.373 -0.949 50 20 CBGD CC[C@@H](C)N(CCO)CC(=O)NNC(=O)C(C)C 829902596 KHNPQRAVQMIJCI-SNVBAGLBSA-N 259.350 -0.117 50 20 CBGD Cc1c(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)nnn1C 831865356 ICUHYPXEIWZQAW-JGVFFNPUSA-N 282.304 -0.299 50 20 CBGD O=C(O)[C@]12COC[C@H]1CN(S(=O)(=O)CCl)C2 849232276 LJYSHWBRFSBBOZ-HTRCEHHLSA-N 269.706 -0.455 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCC[C@@H]1[C@@H](C)O 852560213 ZCOBNIUMWZHSOA-NXEZZACHSA-N 257.334 -0.365 50 20 CBGD CC(C)(C)C(=O)NCCC(=O)NNC(=O)c1cc[nH]n1 855362489 SYRSGYWYKJBQBZ-UHFFFAOYSA-N 281.316 -0.277 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)c1cn(C2CC2)nn1 861852658 IVYIAYUBSZDXCD-SNVBAGLBSA-N 279.300 -0.057 50 20 CBGD CN1CCCC(=NNC(=O)[C@@H]2CCC(=O)N2)CC1 863147981 QFKSMYROHCLDEB-JTQLQIEISA-N 252.318 -0.147 50 20 CBGD COCCOCC(=O)NNC(=O)c1cnc2n1CCCC2 869905337 AOLOMXHSOZWUIK-UHFFFAOYSA-N 296.327 -0.357 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CN1CCOC1=O 873834286 BSBBWVBMMWYRDO-UHFFFAOYSA-N 266.257 -0.762 50 20 CBGD COCCCNC(=O)NNC(=O)CN1CCCC1 874194737 JWBRPZAPKCIDES-UHFFFAOYSA-N 258.322 -0.551 50 20 CBGD CCO[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 885325593 SMPAIZKSGJAZRE-LBPRGKRZSA-N 263.102 -0.383 50 20 CBGD CNC(=O)C1(C(=O)NNC(=S)NC(C)(C)C)CC1 899994854 BTGXUHCQZNJZON-UHFFFAOYSA-N 272.374 -0.194 50 20 CBGD O=C(C=C1CCCC1)NNC(=O)C(=O)NC1CC1 917622650 UNIAZWJHTWVTFL-UHFFFAOYSA-N 251.286 -0.087 50 20 CBGD CCn1cc(C(=O)NNC(=O)C(=O)NC(C)C)cn1 1116068949 SLLGZKNTRCHWAZ-UHFFFAOYSA-N 267.289 -0.811 50 20 CBGD O=C(CO)NNC(=O)c1cc(O)nc(C2CC2)c1 1116636769 XMGMNWWSBPZKDA-UHFFFAOYSA-N 251.242 -0.582 50 20 CBGD Cc1cocc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1118803971 UFDIIVXQVRIWMC-QMMMGPOBSA-N 286.309 -0.216 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccn(C(F)F)n2)N1 1118944372 YAHOGMZCUKAILY-YFKPBYRVSA-N 287.226 -0.682 50 20 CBGD Cn1ccc(NNC(=O)CCN2C(=O)CCC2=O)n1 1256184354 MUONHGKBXXEIRO-UHFFFAOYSA-N 265.273 -0.598 50 20 CBGD Cc1c[nH]cc1C(=O)NNC(=O)C(=O)NC(C)C 1317902973 WDRRYSNVJSGEJB-UHFFFAOYSA-N 252.274 -0.391 50 20 CBGD Cc1cc(CNC(=O)NNC(=O)c2cnn(C)c2)on1 1318919753 MUWDHPAOZUABQV-UHFFFAOYSA-N 278.272 -0.139 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCO)cc1F 1321151168 BVCPNXJTWOFGNI-UHFFFAOYSA-N 283.259 -0.398 50 20 CBGD Cn1nccc1S(=O)(=O)NNC(=O)Cc1cccnc1 1321550287 NFWZAPKJYWTYDM-UHFFFAOYSA-N 295.324 -0.633 50 20 CBGD COC(=O)N(C)NC(=O)C[C@H]1CCCS(=O)(=O)C1 1324335662 RWKPXWDMXKGJHQ-MRVPVSSYSA-N 278.330 -0.069 50 20 CBGD CCOCCONC(=O)NNC(=O)[C@H]1CCO[C@H]1C 1326295138 GVRXSZRHMZIKMX-IUCAKERBSA-N 275.305 -0.290 50 20 CBGD O=Cc1c[nH]c(C(=O)NNC(=O)C(=O)N2CCCC2)c1 1327816510 KMLPHIURXUPSCN-UHFFFAOYSA-N 278.268 -0.789 50 20 CBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)Cc1ccncc1 1328109196 CMURKVUBVYKXGZ-LLVKDONJSA-N 276.296 -0.608 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CCc2nccn2C1 1328128787 GAMUKZVWQVVEGF-VIFPVBQESA-N 288.311 -0.441 50 20 CBGD Cc1ncccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1329171176 APQPFSCCLSZVNJ-SECBINFHSA-N 262.269 -0.570 50 20 CBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)no1 1329299640 LMVJUHIXXVETGX-SFYZADRCSA-N 296.283 -0.506 50 20 CBGD CC(C)NC(=S)NNC(=O)CO[C@@H]1CCOC1 1330900760 IQJOQGONMSSRPL-MRVPVSSYSA-N 261.347 -0.304 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1CCCCNC1=O 1331510113 DAXODEVJZJGCLB-MRVPVSSYSA-N 280.288 -0.978 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H](C)Sc1nncn1C 1332176070 TXCQZVZTJGDYRV-HTQZYQBOSA-N 273.362 -0.361 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@H]2C[C@]23CCNC3)n1 1573866076 WYVJDXVLVFJCPL-RNCFNFMXSA-N 276.344 -0.015 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@]1(C(=O)O)CC=CCC1 1588923256 OBUSEIKEXLQGMK-CYBMUJFWSA-N 297.311 -0.531 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1ncccn1 1593163506 ZGPZJHDJLZPRNV-UHFFFAOYSA-N 283.255 -0.191 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CC[C@H](C(=O)O)CC2)nn1 1600931745 DUGORZMJHLRNRH-ZKCHVHJHSA-N 295.299 -0.533 50 20 CBGD O=C(NNC(=O)c1ncon1)c1ccnc(C(=O)O)c1 1601557280 JDZORJAMEFKGKJ-UHFFFAOYSA-N 277.196 -0.762 50 20 CBGD CC(=O)Nc1cccc(CNC(=O)NNC(=O)C(=O)O)c1 1603079913 PUFRMZFGTFJQCW-UHFFFAOYSA-N 294.267 -0.440 50 20 CBGD CO[C@](C)(C(=O)O)C(=O)NNC(=O)NCc1ccco1 1604463196 AWDSZMOYZZLYON-NSHDSACASA-N 285.256 -0.400 50 20 CBGD COCC(=O)NNC(=O)Nc1cncc(C(=O)O)c1 1604504989 LJHJUHKJHUBMMF-UHFFFAOYSA-N 268.229 -0.421 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCCC(=O)O)n[nH]1 1605121004 XJZOKHJYJTTYFM-UHFFFAOYSA-N 254.246 -0.266 50 20 CBGD Cc1ccc(NNC(=O)NCC(=O)NC(C)C)nn1 106256231 NYVFNDLXKQNUNN-UHFFFAOYSA-N 266.305 -0.064 50 20 CBGD O=C(CN1CCNCC1=O)NNc1ccccc1[N+](=O)[O-] 163465179 PEMAASKKLUMLGZ-UHFFFAOYSA-N 293.283 -0.530 50 20 CBGD C[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)C1CC1 175288232 IHQWURKRJBHKBZ-QMMMGPOBSA-N 253.302 -0.198 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CCN(C(=O)CC)C1 272663092 ICSCFGXNBFVIST-VIFPVBQESA-N 270.333 -0.063 50 20 CBGD CC(C)(O)C(=O)NNC(=O)COc1cccc([N+](=O)[O-])c1 276296081 SCSONXOTCKPACK-UHFFFAOYSA-N 297.267 -0.108 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1COCCN1C1CCCC1 376726597 AOSZDAFWUDNEJT-LBPRGKRZSA-N 298.387 -0.661 50 20 CBGD C[C@H](NC(=O)COc1ccc(B(O)O)cc1)C1CC1 584909331 KFWVHWWNYAFMOF-VIFPVBQESA-N 263.102 -0.340 50 20 CBGD CS(=O)(=O)CC1(COc2ccc(B(O)O)cc2)CC1 584910269 PBNSPRVDQCYLOX-UHFFFAOYSA-N 284.142 -0.430 50 20 CBGD CN(C)CCCN(C)C(=O)c1ccc(B(O)O)c(F)c1 584970794 GFKJAXYBRWOQHH-UHFFFAOYSA-N 282.124 -0.471 50 20 CBGD CC(C)[C@H](C#N)NC(=O)c1ccc(B(O)O)c(F)c1 584977145 XOAVQHHCRBELPE-NSHDSACASA-N 264.065 -0.217 50 20 CBGD COCC1(NC(=O)c2cccc(B(O)O)c2)CCC1 584995919 ZOYZDGOXCRAAGM-UHFFFAOYSA-N 263.102 -0.335 50 20 CBGD CNC(=O)CCCNCc1ccc(B(O)O)cc1F 585022125 TUFISGZHRDYLEP-UHFFFAOYSA-N 268.097 -0.879 50 20 CBGD C[C@@H](NCc1ccccc1B(O)O)C(=O)NC(C)(C)C 585022185 KNJKRPNDTVKQOR-SNVBAGLBSA-N 278.161 -0.241 50 20 CBGD CC(C)(C)C(=O)NCCNCc1ccc(B(O)O)o1 585026984 MFBFKIAPSLNIPY-UHFFFAOYSA-N 268.122 -0.789 50 20 CBGD C[C@@H]1O[C@H](C)[C@H](NCc2ccc(B(O)O)o2)[C@H]1C 585048933 HGYNKQNOFIAWFH-APOZVJGGSA-N 253.107 -0.139 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)CCC(=O)NC 732199536 ORAPFJCJPGSMQO-QMMMGPOBSA-N 258.322 -1.000 50 20 CBGD O=C(CN1CSCC1=O)NNc1cccnn1 736710759 LZUKHFFKSKIBKD-UHFFFAOYSA-N 253.287 -0.547 50 20 CBGD CN(C)c1nccc(NNC(=O)CN2CCCCC2=O)n1 740112008 APJJPILIJCZVLR-UHFFFAOYSA-N 292.343 -0.002 50 20 CBGD C[C@H](O)CCN(C)CC(=O)NNC(=O)C(C)(C)C 744406400 JTHVTBBJPZUGGI-VIFPVBQESA-N 259.350 -0.117 50 20 CBGD COCCOC[C@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 744417672 VWQLATZXNBJXOU-NSHDSACASA-N 299.371 -0.471 50 20 CBGD O=C(NNC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)N1CCCC1 748239214 FZIRXDDYHXZSOM-UHFFFAOYSA-N 295.255 -0.694 50 20 CBGD Nc1c(C(=O)NNC(=O)c2cnn[nH]2)cccc1[N+](=O)[O-] 749379691 CZWUQPRZVBWQMG-UHFFFAOYSA-N 291.227 -0.630 50 20 CBGD O=C(CO)NNC(=O)CSc1ccccc1O 753436691 BOBKYUKFXMVWFH-UHFFFAOYSA-N 256.283 -0.376 50 20 CBGD CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)C(=O)NC1CC1 753982252 ZDOIIJBNXLWFRN-QMMMGPOBSA-N 284.360 -0.421 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=O)c1cccc(C#N)c1 754998613 RBPJKTKMAUQWGV-CYBMUJFWSA-N 277.280 -0.283 50 20 CBGD O=C(CO)NNC(=O)Nc1cnn(-c2ccccn2)c1 756705440 JHPCZMCWGYKTPT-UHFFFAOYSA-N 276.256 -0.588 50 20 CBGD CCC(=NNC(=O)C(=O)NC1CC1)c1ccn(C)n1 758099971 PMOFZGAODWUHTH-UHFFFAOYSA-N 263.301 -0.071 50 20 CBGD COc1nccnc1NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 764465357 LZXLVOFOYSPMNY-QMMMGPOBSA-N 291.311 -0.061 50 20 CBGD O=C(NNc1ncc(F)cn1)[C@]1(O)CCSC1 765883253 XDRWWNJVWGWNDW-VIFPVBQESA-N 258.278 -0.073 50 20 CBGD NC(=O)NC1(C(=O)NNC(=S)NCC2CCC2)CC1 767338858 IURUOEDWKGRDGH-UHFFFAOYSA-N 285.373 -0.517 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1C[C@@H](OCC)[C@@H]1OC 776523849 FLNHWVSSSRFOEA-FXPVBKGRSA-N 289.332 -0.454 50 20 CBGD CN(C)CC(=O)NNC(=O)c1[nH]nnc1-c1ccccc1 801614800 RWMULKUIWHWQHZ-UHFFFAOYSA-N 288.311 -0.206 50 20 CBGD Cc1ccn(C)c1C(=O)NNC(=O)N1CCN(C)CC1 807379964 KRLIQJWYKBBXSV-UHFFFAOYSA-N 279.344 -0.065 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@H](F)C(F)(F)F)nn1 810511710 KYULTPIGYROVPL-YFKPBYRVSA-N 281.169 -0.081 50 20 CBGD Cc1nccc(CCC(=O)NNC(=O)N2CCOCC2)n1 814670317 RAHIYJKGWBSGFC-UHFFFAOYSA-N 293.327 -0.209 50 20 CBGD COc1ncnc(N)c1C=NNC(=O)Cc1cc[nH]n1 814957824 QUWUDYRZKJWUTQ-UHFFFAOYSA-N 275.272 -0.517 50 20 CBGD C[C@H](NC(=O)c1ccco1)C(=O)NN(C)[C@@H](C)CO 823913295 RKLRGIKSBPRHKZ-IUCAKERBSA-N 269.301 -0.258 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@]1(C)CCC(=O)N1 826946792 PXSQMIPARHUBMB-MWODSPESSA-N 298.343 -0.590 50 20 CBGD C=C[C@](C)(O)CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843970022 AVGJFOVIGIEBPY-SBMIAAHKSA-N 256.302 -0.114 50 20 CBGD Cc1nc(CC(=O)NNC(=O)[C@H]2CCCCO2)n[nH]1 854682995 JMHCKCUKJNFWOF-MRVPVSSYSA-N 267.289 -0.628 50 20 CBGD CNC(=S)N(C)NC(=O)CN(C)[C@H]1CCSC1 854923378 SYAJIMPSLYEVSW-QMMMGPOBSA-N 276.431 -0.109 50 20 CBGD C[C@@H](NC(=S)NNC(=O)CN1CCCC1=O)C1CC1 855102505 KLUQAMBXHYBYNE-MRVPVSSYSA-N 284.385 -0.097 50 20 CBGD Cc1nn(C)c(C)c1CC(=O)NNC(=O)c1cc[nH]n1 855361861 KGOHRBZIHOYCAJ-UHFFFAOYSA-N 276.300 -0.236 50 20 CBGD C[C@H](NC(=O)C1CCCC1)C(=O)NNc1cnnn1C 857271712 WIMMJXJQYRVBSI-QMMMGPOBSA-N 280.332 -0.047 50 20 CBGD COc1ccnc(NNC(=O)C2(CO)CCOCC2)n1 857436420 AVJRTMVKGIBDPD-UHFFFAOYSA-N 282.300 -0.283 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCC2(C3CC3)CC2)N1 858313470 KNYNDIKDLJWEKX-VIFPVBQESA-N 280.328 -0.214 50 20 CBGD C[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C[C@H]1C 858696061 IBKMTFDLZZLVGB-IWSPIJDZSA-N 268.317 -0.406 50 20 CBGD COC(=O)CCCN(C)C(=O)c1cc(B(O)O)ccc1F 863868648 CNQXPXPSELOJSV-UHFFFAOYSA-N 297.091 -0.469 50 20 CBGD C=CCS(=O)(=O)CCNCc1cccc(B(O)O)c1 863891565 SYPQSIGQACLYNA-UHFFFAOYSA-N 283.158 -0.943 50 20 CBGD COC(=O)N(C)NS(=O)(=O)CCn1cccn1 867256615 YMCGGGPHKMNBAW-UHFFFAOYSA-N 262.291 -0.584 50 20 CBGD COCCOCC(=O)NNC(=O)c1cnn(CC(C)C)c1 869907353 JJTTZPMAOJFIAB-UHFFFAOYSA-N 298.343 -0.037 50 20 CBGD C[C@@H](NCc1cccc(B(O)O)c1)[C@@H](O)C(F)(F)F 877693903 UDTGZWHGGMBTMG-GMSGAONNSA-N 277.051 -0.232 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1CCCC(=O)N1 887148299 WKAXKWSEPKUSGB-SECBINFHSA-N 251.286 -0.394 50 20 CBGD CN(CC(Cl)Cl)C(=O)CN1CCNC(=O)C1 908223733 ONVSPFXCRVPNDS-UHFFFAOYSA-N 268.144 -0.320 50 20 CBGD CC(=O)NNC(=O)CNS(=O)(=O)c1cc(C)ccc1C 913173364 SEFJABQMQYJAGO-UHFFFAOYSA-N 299.352 -0.251 50 20 CBGD CNC(=O)NNC(=O)CCc1nc(CSC)no1 1116334510 KAVQBBHPFLQCKZ-UHFFFAOYSA-N 273.318 -0.175 50 20 CBGD CCNC(=O)NNC(=O)c1cn(C)nc1-c1cnn(C)c1 1116686762 STYYFLPFJSHYIZ-UHFFFAOYSA-N 291.315 -0.216 50 20 CBGD O=C(CN1CCC(OCCO)CC1)NNC(=O)C1CC1 1253676713 BVYACYLKDTVDJD-UHFFFAOYSA-N 285.344 -0.983 50 20 CBGD C#Cc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)nc1 1318502001 GZQSQHOUBMYMKJ-UHFFFAOYSA-N 272.264 -0.898 50 20 CBGD C[C@H]1CCN(CC(=O)NNC(=O)C2CC2)CC[S@@]1=O 1320759148 BXZHPQCKHPUGST-UGZDLDLSSA-N 287.385 -0.613 50 20 CBGD CS(=O)(=O)CCNC(=O)NNc1ncccn1 1322405417 PHOPJKOMUYJINP-UHFFFAOYSA-N 259.291 -0.853 50 20 CBGD CNC(=O)NCCC(=O)NNC(=O)Cc1cccnc1 1324508664 YKLASWXKOTYCMR-UHFFFAOYSA-N 279.300 -0.909 50 20 CBGD CCn1cnnc1CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1325960696 IUJPDYVIFHEBIB-BDAKNGLRSA-N 296.331 -0.447 50 20 CBGD CCc1cc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n(C)n1 1331694873 DZYAVNVAZQJDJB-QMMMGPOBSA-N 294.315 -0.586 50 20 CBGD C[C@H]1CC(=NNC(=O)CS(C)(=O)=O)c2ncnn21 1331722955 NLKAXEBRJAEMFL-LURJTMIESA-N 271.302 -0.892 50 20 CBGD COC(=O)CCn1nc(C)c(C=NNC(=O)CO)c1C 1337308473 BZAIDCCEGZMICF-UHFFFAOYSA-N 282.300 -0.495 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21 1340644038 QAQLFLLULIMMJK-RCZSTQMZSA-N 268.313 -0.016 50 20 CBGD C[C@@H](NNC(=O)c1nnc(O)nc1O)C(F)(F)F 1351616528 JFPVFRCNJVXFBN-UWTATZPHSA-N 267.167 -0.532 50 20 CBGD O=C(CCCCc1cnn[nH]1)NNC(=O)c1ncccn1 1469126606 ALZCROUUTRTRTL-UHFFFAOYSA-N 289.299 -0.231 50 20 CBGD CC(C)CC(=O)NNC(=O)N[C@@H](C)[C@H]1CN(C)CCN1C 1519901581 CLTLXTGJVAXLPX-NWDGAFQWSA-N 299.419 -0.003 50 20 CBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)C(C)(C)C 1520792824 CRXHCJYUCACZHA-UWVGGRQHSA-N 268.361 -0.432 50 20 CBGD CCCCNC(=O)NNC(=O)[C@]1(C)C[C@H](O)CN1 1573735387 KRPPAPDQWBWXPZ-KWQFWETISA-N 258.322 -0.770 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H]1C[C@@H](N)C1 1576903382 JADMIRSHASLQGP-IMSYWVGJSA-N 270.333 -0.521 50 20 CBGD CSCC[C@@H](N)C(=O)NNc1ncnc2[nH]cnc12 1579377769 VVNQJMOFSIKGOJ-ZCFIWIBFSA-N 281.345 -0.124 50 20 CBGD CC(C)C[C@@H](C(=O)O)N(C)C(=O)c1ccc(B(O)O)cc1 1591423513 TXFLICHIZRCKCP-LBPRGKRZSA-N 293.128 -0.062 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@]2(C(=O)O)CC2(C)C)CC1 1593781128 PJUZFXUCMFWKRB-CYBMUJFWSA-N 298.343 -0.525 50 20 CBGD C[C@H]1CCCN(C[C@@H](C)NC(=O)NNC(=O)C(=O)O)C1 1594384589 WFCCXURTEWYYOW-DTWKUNHWSA-N 286.332 -0.478 50 20 CBGD CCOC(=O)NNC(=O)Nc1c(C(=O)O)cnn1C 1596662273 BSRJUPPUYDVIRO-UHFFFAOYSA-N 271.233 -0.099 50 20 CBGD CN(C)[C@H]1CCCC[C@H]1NC(=O)NNC(=O)C(=O)O 1598190344 KGNOTISUZGKOJO-SFYZADRCSA-N 272.305 -0.726 50 20 CBGD COCC(=O)NNC(=O)Nc1cc(C)c(C(=O)O)cn1 1599143163 NZWSUOSYFDYHDH-UHFFFAOYSA-N 282.256 -0.113 50 20 CBGD CO[C@](C)(C(=O)O)C(=O)NNC(=S)N[C@H](C)C1CC1 1604464134 KSILRCRZTWOQMT-KBUNVGBDSA-N 289.357 -0.230 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cn1cc(C(=O)O)cn1 1604834515 LGSXYGLSAGDBGO-APPZFPTMSA-N 296.283 -0.846 50 20 CBGD O=C(NCC[C@@H]1C[C@H]2CC[C@H]1O2)NNC(=O)C(=O)O 1608440810 PEVPGDACOARSQB-BWZBUEFSSA-N 271.273 -0.641 50 20 CBGD O=C(O)CCCNC(=S)NNC(=O)c1cc[nH]n1 1608714813 ANPPUFSHXIWFTR-UHFFFAOYSA-N 271.302 -0.617 50 20 CBGD O=C(O)c1ccc(C(=O)NNC(=O)[C@H]2CCCO2)o1 1608875123 PAJPWSPBOWEHNG-ZCFIWIBFSA-N 268.225 -0.082 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cccc(C(=O)OC)c1 48961998 UVAMWRRAIWZEIQ-UHFFFAOYSA-N 287.297 -0.405 50 20 CBGD CCC(=O)N1CCC(=NNC(=O)C(=O)NC2CC2)CC1 64306514 VXWMRPWZXJVICR-UHFFFAOYSA-N 280.328 -0.230 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)CC(C)(C)C)C1 85521150 QHMZTUKTGFXTSA-SECBINFHSA-N 257.334 -0.099 50 20 CBGD CCOC(=O)NCC(=O)NNC(=O)c1cccnc1 143138513 DQZBWPJDXWSIQM-UHFFFAOYSA-N 266.257 -0.411 50 20 CBGD CCN(CCOC)C(=O)c1cccc(B(O)O)c1 218972154 WJBJLPGDVMMUTG-UHFFFAOYSA-N 251.091 -0.525 50 20 CBGD O=C(CO)NN=Cc1ccc(N2CCOCC2)cc1 252629243 UBZUXZLUPAZDEY-UHFFFAOYSA-N 263.297 -0.034 50 20 CBGD CNC(=O)NNC(=O)CN(C)c1ccccc1[N+](=O)[O-] 266318145 YUBFWBNAASMVIY-UHFFFAOYSA-N 281.272 -0.009 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NNc1ncccn1 271145535 TVBRLHAXESNSTK-JTQLQIEISA-N 265.317 -0.112 50 20 CBGD COc1cncc(C(=O)NNC(=O)[C@H]2CCCCO2)n1 295681499 YEHHZPHIAYZWLA-SECBINFHSA-N 280.284 -0.185 50 20 CBGD O=C(CCn1cc(Cl)cn1)NNC(=O)C(=O)NC1CC1 298829779 VMRVNPNOVRBGSH-UHFFFAOYSA-N 299.718 -0.647 50 20 CBGD CCOC(=O)NNS(=O)(=O)c1ccc(C#N)nc1 490918259 WIOKDLSEZOVGCV-UHFFFAOYSA-N 270.270 -0.107 50 20 CBGD O=C(N[C@H]1CCN2CCCC[C@H]12)c1ccc(B(O)O)cc1 584928630 DZJJTEVOKLTWJP-UONOGXRCSA-N 288.156 -0.277 50 20 CBGD CN(CC1(O)CCCC1)C(=O)c1cccc(B(O)O)c1 584964448 DWBPDPJIGAPWCR-UHFFFAOYSA-N 277.129 -0.257 50 20 CBGD Cc1cn2c(n1)CC[C@@H](NCc1cccc(B(O)O)c1)C2 585019695 GAGGJJGQYKLXLG-CQSZACIVSA-N 285.156 -0.024 50 20 CBGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)NC2CC2)c1 726615309 IFFNOGZIUACNQH-UHFFFAOYSA-N 290.323 -0.208 50 20 CBGD O=C(NNC(=O)C1CC1)c1ccc2c(c1)C(=O)NC2=O 729283505 UAAIIMFAFIWPEP-UHFFFAOYSA-N 273.248 -0.259 50 20 CBGD O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CCC(=O)N1 731344687 BASKIXMBXKJNKQ-JTQLQIEISA-N 279.271 -0.206 50 20 CBGD CCN(CC)C(=O)CNC(=O)NNC(=O)C1CCC1 732242182 BZCYNEOFLYKQSL-UHFFFAOYSA-N 270.333 -0.015 50 20 CBGD O=C1CC(C(=O)NNC(=O)CCc2ccccc2)=NN1 732281146 PZMWASLQKNGZEL-UHFFFAOYSA-N 274.280 -0.358 50 20 CBGD CNC(=O)NNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 746160214 XQNUXBUAXMNXHJ-AWEZNQCLSA-N 292.339 -0.416 50 20 CBGD COc1cc(NC(=O)NNC(=O)CO)ccc1NC(C)=O 755916137 ZJPDGQJYTMWKRW-UHFFFAOYSA-N 296.283 -0.201 50 20 CBGD CCC[C@@](C)(O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 770748592 SAEJKZISWFJVDQ-GZMMTYOYSA-N 292.357 -0.880 50 20 CBGD CC(C)[C@@H](CCO)NCC(=O)NNC(=O)C1CC1 771792641 DIOPCNXQSWRETH-SNVBAGLBSA-N 257.334 -0.460 50 20 CBGD C[C@H]1CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)CCO1 773209902 VRQTXHHEAXNEAI-JGVFFNPUSA-N 277.346 -0.405 50 20 CBGD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NNc1ccnc(F)c1 781368721 UCVWMRQOHOSWHF-CPCISQLKSA-N 296.302 -0.061 50 20 CBGD CO[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)C(C)C 807383436 BUGQANLDMOWUHD-SNVBAGLBSA-N 272.349 -0.354 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCS(=O)(=O)C1)c1ccccn1 816808082 ARAATDKFPVDBLJ-SECBINFHSA-N 297.336 -0.333 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1C 823474409 IVGNVFAGCVIHNH-IWSPIJDZSA-N 269.301 -0.820 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 823846720 MWTBGLDNDRUTIT-NSHDSACASA-N 295.339 -0.027 50 20 CBGD O=C(NCCOCCF)NNC(=O)c1ccc[nH]1 824331464 VLGVGGCYLVBUDQ-UHFFFAOYSA-N 258.253 -0.055 50 20 CBGD CCOC(=O)[C@H](CC)C(=O)NNC(=O)c1ncccn1 841448919 VMUFIXIKVSTWMS-MRVPVSSYSA-N 280.284 -0.173 50 20 CBGD CC(C)OCCS(=O)(=O)NNC(=O)[C@H]1CCO[C@H]1C 842591375 BYZYYDWJCCORJD-UWVGGRQHSA-N 294.373 -0.213 50 20 CBGD CCn1ccc(CC(=O)NNC(=O)c2cc(C)[nH]n2)n1 845903315 OCKMUEYJUHKJIE-UHFFFAOYSA-N 276.300 -0.062 50 20 CBGD Cc1ccnc(NNC(=O)c2nc(N)nc(N(C)C)n2)c1 846639038 LYUCILJWLFRDRC-UHFFFAOYSA-N 288.315 -0.020 50 20 CBGD O=C(NNc1nc[nH]n1)C1(n2cnnn2)CCCCC1 846654684 YCHJZPCZJLSIKS-UHFFFAOYSA-N 277.292 -0.406 50 20 CBGD O=C(NNS(=O)(=O)N1CCCCC1)c1cc[nH]n1 849310827 QJJVYNHZXAVVPM-UHFFFAOYSA-N 273.318 -0.625 50 20 CBGD CC(C)(C)n1nnc(C=NNC(=O)CN2CCCC2=O)n1 853278292 ARFQLQMSIQVJMH-UHFFFAOYSA-N 293.331 -0.499 50 20 CBGD CC(Cn1cncn1)=NNC(=O)C(=O)NC1CC1 853282536 IIYPNLBWROSNDA-UHFFFAOYSA-N 250.262 -0.951 50 20 CBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@@H](O)C2CC2)cc1 854192853 JUMWIHRDIABJGI-ZDUSSCGKSA-N 289.291 -0.145 50 20 CBGD CN(C)S(=O)(=O)N(C)CC(=O)NCCCSC#N 854360057 GFQWNMWXNQMRGK-UHFFFAOYSA-N 294.402 -0.555 50 20 CBGD COC[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)[C@H]1CCCO1 858406807 WIFCBKLSMNAQFV-NXEZZACHSA-N 297.315 -0.452 50 20 CBGD C[C@@H]1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)[C@@H]1C 858696399 KQSYTHRDUFQHKD-IWSPIJDZSA-N 268.317 -0.264 50 20 CBGD CCOC(=O)CCC(=O)NNC(=O)c1cn[nH]c1 862474744 ZHSBYXOWLMNKAZ-UHFFFAOYSA-N 254.246 -0.486 50 20 CBGD Cc1ccn(C)c1C(=O)NNC(=O)CS(C)(=O)=O 863464661 LEESXFJIXAHVQK-UHFFFAOYSA-N 273.314 -0.861 50 20 CBGD N#CCN(C(=O)c1cc(B(O)O)ccc1F)C1CC1 863871485 PAFXRLIWRDANGY-UHFFFAOYSA-N 262.049 -0.366 50 20 CBGD CC(C)(C)C(=O)CNC(=O)c1cccc(B(O)O)c1 863877199 AKMPQLUWIMPAGQ-UHFFFAOYSA-N 263.102 -0.289 50 20 CBGD CCC(=O)CNC(=O)c1cc(B(O)O)ccc1F 863878568 SNNJPKQTTREIHV-UHFFFAOYSA-N 253.038 -0.786 50 20 CBGD NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)CCCCl)O1 881985702 DFFHYEUVHCQTKY-YUMQZZPRSA-N 284.765 -0.432 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 887150336 GNUFGHKJCVTGJD-VHSXEESVSA-N 265.313 -0.148 50 20 CBGD CCOCC(=O)NNC(=O)NCCN1CCC[C@@H]1C 897481688 HQWBGWHYQNYQHQ-JTQLQIEISA-N 272.349 -0.162 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H](O)Cc1ccccc1 910149403 DRLHPMOLIJIKLH-JQWIXIFHSA-N 252.314 -0.066 50 20 CBGD CCn1nc(C(=O)NN(C)C[C@H](C)O)ccc1=O 910169146 XOBHHHLHGUNUDL-QMMMGPOBSA-N 254.290 -0.779 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CN1C(=O)c2ccccc2C1=O 910182519 IURIPEIWNVDDMZ-SECBINFHSA-N 291.307 -0.374 50 20 CBGD O=C(CN1CCCCCC1=O)NNC(=O)c1cc[nH]n1 918688176 MWGCADZXAGBKQL-UHFFFAOYSA-N 279.300 -0.427 50 20 CBGD CNC(=O)CCCC(=O)NNC(=O)Cc1cc[nH]n1 1116705786 UNHXUSSITXLIDR-UHFFFAOYSA-N 267.289 -0.984 50 20 CBGD COC(=O)C(=O)NN=Cc1nnn(C(C)(C)C)n1 1261652752 RHDUCKJLXGUSRL-UHFFFAOYSA-N 254.250 -0.949 50 20 CBGD C[C@@H](NC(=O)NNc1cccnn1)[C@H]1CN(C)CCN1C 1263779055 XDKZPWQRWKRECU-GHMZBOCLSA-N 293.375 -0.263 50 20 CBGD O=C(NN=Cc1cnc2ncccn12)C(=O)NC1CC1 1319705264 HOKPGJJOMVXQFU-UHFFFAOYSA-N 272.268 -0.542 50 20 CBGD COCC(=O)NCCC(=O)NNc1ccccn1 1319983946 DLVPKRVJRLFXEC-UHFFFAOYSA-N 252.274 -0.323 50 20 CBGD Cc1nnsc1C(=O)NNC(=O)C(=O)N1CCCC1 1320635257 BIQWVQPJGNBHBH-UHFFFAOYSA-N 283.313 -0.770 50 20 CBGD CC(C)n1ncc(C(=O)NNC(=O)N(C)C)c1N 1321641671 HDGKJUUROHECFB-UHFFFAOYSA-N 254.294 -0.038 50 20 CBGD Cn1cc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cn1 1324907012 NGPWIXCRCUYECC-UHFFFAOYSA-N 267.289 -0.448 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCC(F)(F)F)CN1 1325107066 HCBZIZWUWKZKBD-YFKPBYRVSA-N 282.222 -0.595 50 20 CBGD O=C(NCCc1ccoc1)NNC(=O)C(=O)NC1CC1 1328123857 XMUYZUWORSOEAQ-UHFFFAOYSA-N 280.284 -0.569 50 20 CBGD COC1(C)CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 1329756088 VHYGSYINGRAAGX-VIFPVBQESA-N 298.343 -0.493 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccoc1Cl 1331834122 NYSHQZJEMDISMS-UHFFFAOYSA-N 280.689 -0.261 50 20 CBGD Cn1ncc(C=NNC(=O)C2CCOCC2)c1N 1331995152 TUPOWHVTKCCKSQ-UHFFFAOYSA-N 251.290 -0.121 50 20 CBGD Cn1cnc(C(=O)NNC(=S)NCC2CCC2)cc1=O 1336010616 JDLCMPBYGZQYGQ-UHFFFAOYSA-N 295.368 -0.311 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCO)c(F)c1 1342607633 OKRVQZJHSHTRQU-UHFFFAOYSA-N 283.259 -0.398 50 20 CBGD O=C(NN=Cc1ncc[nH]1)[C@@H]1CN2CCC[C@H]2CO1 1549319582 VZSWWCHFSLUJLV-UWVGGRQHSA-N 263.301 -0.277 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CNCCC12CCC2 1575378618 PVFHONJVZSGBIX-VIFPVBQESA-N 269.345 -0.316 50 20 CBGD COc1ccc(CCC(=O)NNC(=O)CN)cn1 1579205474 AMBRLOVIEFHSCG-UHFFFAOYSA-N 252.274 -0.871 50 20 CBGD Cn1nc(C(=O)NNC(=O)c2ccncc2)cc1N 1579989881 SIYJSRIJDOUHDJ-UHFFFAOYSA-N 260.257 -0.528 50 20 CBGD O=C(NC1([C@@H]2CCNC2)CC1)c1ccc(B(O)O)cc1 1580594041 LDPVWOCBWUCHGR-LLVKDONJSA-N 274.129 -0.762 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cccc(OCC(=O)O)c1 1588795865 NHDMXAGUWKOMNE-UHFFFAOYSA-N 296.279 -0.318 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H](C(=O)O)C1CCCC1 1588796111 TWCJELWQJWNDAF-QMMMGPOBSA-N 272.301 -0.204 50 20 CBGD O=C(Cc1ccncc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c1cc(C(=O)O)n(C)c1 1598197284 YNCMCFWMAAWIOJ-UHFFFAOYSA-N 283.288 -0.562 50 20 CBGD C[C@H](CNC(=O)NNC(=O)C(=O)O)CN1CCCC1 1609746267 JEGUCYIQNRDIEX-MRVPVSSYSA-N 272.305 -0.867 50 20 CBGD COc1ccc(CCNC(=O)NNC(=O)C(=O)O)cc1F 1610330422 LHROSVGAYNWYRS-UHFFFAOYSA-N 299.258 -0.208 50 20 CBGD O=C(NNC(=O)c1cccc(C(=O)O)n1)NC1CC1 1610700611 URXMJSJOMQHBKJ-UHFFFAOYSA-N 264.241 -0.114 50 20 CBGD CNC(=O)NNC(=O)c1ccc(CNC(N)=O)cc1 56375052 FGZSLJLCFRHVKK-UHFFFAOYSA-N 265.273 -0.571 50 20 CBGD CCN(CC)C(=O)CNC(=O)NNc1ncccn1 64772127 WMPYDCRKKGUKED-UHFFFAOYSA-N 266.305 -0.029 50 20 CBGD CCS(=O)(=O)CC(=O)NNC(=O)c1cccn1C 97026625 YZGPMLXWXRUYDN-UHFFFAOYSA-N 273.314 -0.779 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)Cn2cncn2)cc1 142411117 UMVQBPAOXYMUKZ-UHFFFAOYSA-N 270.252 -0.389 50 20 CBGD Cc1cc(NNC(=O)[C@H](C)NS(C)(=O)=O)nc(C)n1 265528340 KTZIZQFGBTVLFU-ZETCQYMHSA-N 287.345 -0.526 50 20 CBGD CNC(=O)C1(C(=O)NNc2nc(C)cc(OC)n2)CC1 266880760 CBMQZTWAYLANAZ-UHFFFAOYSA-N 279.300 -0.237 50 20 CBGD C[C@]1(C(=O)NNc2ccc(C(N)=O)nn2)CCCOC1 272716422 WLOWHPWLNOZVCW-LBPRGKRZSA-N 279.300 -0.165 50 20 CBGD O=C1CCC(=O)N1CCNS(=O)(=O)CBr 272770492 FJBINHZGQLRPGR-UHFFFAOYSA-N 299.146 -0.593 50 20 CBGD O=C(NCC1CC1)C(=O)NNC(=O)c1ccccc1 276347988 VTHACXYOYQVWLR-UHFFFAOYSA-N 261.281 -0.026 50 20 CBGD COC(=O)[C@H]1CC[C@@H](C(=O)NNc2nccnc2OC)O1 290742236 OYQKZJOEQOTWKR-JGVFFNPUSA-N 296.283 -0.351 50 20 CBGD O=C(NNS(=O)(=O)c1ccco1)[C@@H]1CCCO1 292186288 YRNAINODAYFVFZ-ZETCQYMHSA-N 260.271 -0.232 50 20 CBGD CC(C)CC(=O)NNC(=O)N[C@H](C)C(=O)N(C)C 298703964 ZMFCCDNEJCVOQJ-MRVPVSSYSA-N 258.322 -0.160 50 20 CBGD O=C(NNC(=O)c1cccnc1S)C(=O)N1CCCC1 299537124 IFKOAKLWTCDVBW-UHFFFAOYSA-N 294.336 -0.246 50 20 CBGD O=C(O)[C@@H]1COCCN1S(=O)(=O)CBr 306181426 URZURZLATJAIAM-YFKPBYRVSA-N 288.119 -0.546 50 20 CBGD CNC(=O)NNC(=O)/C=C\CN(C)CC(F)(F)F 492952841 MLFXXXDZTYXKGP-ARJAWSKDSA-N 268.239 -0.003 50 20 CBGD C[C@H](C(=O)Nc1cccc(B(O)O)c1)N1CCCCC1=O 584910136 NBSHOZYOTVOHMP-SNVBAGLBSA-N 290.128 -0.294 50 20 CBGD O=C(N[C@H]1CCN(C2CC2)C1)c1ccc(B(O)O)c(F)c1 584932600 AMZMXDUXSWAFJU-JTQLQIEISA-N 292.119 -0.528 50 20 CBGD CC[C@H](CCO)NC(=O)c1cccc(B(O)O)c1 584962762 KOIHHUDLVLXGDR-LLVKDONJSA-N 251.091 -0.743 50 20 CBGD CN(C[C@@H]1CCCC[C@H]1O)C(=O)c1cccc(B(O)O)c1 584971933 IMSPRPXQGYJYPZ-GXTWGEPZSA-N 291.156 -0.011 50 20 CBGD C[C@@H](C[S@](C)=O)NC(=O)c1ccc(B(O)O)c(F)c1 584973643 OZEHLEIFZFCHOR-IIYDVTGLSA-N 287.121 -0.998 50 20 CBGD CC[C@@H](CC#N)NC(=O)c1ccc(B(O)O)c(F)c1 584976691 UJYBXCLVSHDNRG-VIFPVBQESA-N 264.065 -0.072 50 20 CBGD O=C1CN(C(=O)c2cccc(B(O)O)c2)CN1CC1CC1 584984529 ZXQJMCMOLFIJBC-UHFFFAOYSA-N 288.112 -0.982 50 20 CBGD CCN(C[C@H](C)O)C(=O)c1cc(B(O)O)ccc1F 584988283 JUYVJLAUZNOLJK-QMMMGPOBSA-N 269.081 -0.652 50 20 CBGD C[C@@H]1CCC[C@]1(O)CNC(=O)c1ccc(B(O)O)c(F)c1 584994373 IAMKRYUNLCDEBB-OTYXRUKQSA-N 295.119 -0.214 50 20 CBGD CC[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@@H](C)O 584998306 PEWKPWWOFKXBMS-HQJQHLMTSA-N 269.081 -0.605 50 20 CBGD CN(C)[C@@H]1CCC[C@@H](NCc2ccc(B(O)O)o2)C1 585025932 GTCVCRZWLXYCPV-GHMZBOCLSA-N 266.150 -0.078 50 20 CBGD Cn1cc([C@@H](CO)NCc2ccc(B(O)O)cc2F)cn1 585031982 MZDYAHVKZYOCRM-CYBMUJFWSA-N 293.107 -0.938 50 20 CBGD Cc1ccccc1C[C@@H](CO)NCc1ccc(B(O)O)o1 585037185 UCMDIZFVKMKUNL-ZDUSSCGKSA-N 289.140 -0.039 50 20 CBGD C#CCCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 735375055 IUTAKQKTXKDGKN-UHFFFAOYSA-N 299.294 -0.166 50 20 CBGD Cc1cnn(CC(=O)NNC(=O)c2cnn(C)c2)c1 735444079 AKKGMSOVZQINKR-UHFFFAOYSA-N 262.273 -0.614 50 20 CBGD Cn1ccnc(NNC(=O)CC2(O)CCCC2)c1=O 749257163 IOXASFJFIKNOBO-UHFFFAOYSA-N 266.301 -0.081 50 20 CBGD CSCCNC(=S)NNC(=O)N1CCOCC1 752751930 OQUXZJUTYRKWHN-UHFFFAOYSA-N 278.403 -0.230 50 20 CBGD C[C@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)CO 753443286 YOTHYIICIBOHIA-DTWKUNHWSA-N 260.290 -0.900 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CCN1C 761073575 BOESWCZGHJQDQO-SNVBAGLBSA-N 270.377 -0.184 50 20 CBGD C[C@H](O)CN(C)CC(=O)NNC(=O)c1ccc(C#N)cc1 764279249 GKHCOXQQRUDYTK-JTQLQIEISA-N 290.323 -0.368 50 20 CBGD O=C(CO)NNC(=O)CNC(=O)c1cccc(Cl)c1 777781984 UPUZBABYMXRQMJ-UHFFFAOYSA-N 285.687 -0.791 50 20 CBGD CS(=O)(=O)N1CCC(C(=O)NN=c2cc[nH]cc2)CC1 780760074 XLYCIYZVGNOXFK-UHFFFAOYSA-N 298.368 -0.382 50 20 CBGD CCCCS(=O)(=O)NCC(=O)NN=c1cc[nH]cc1 781018905 BSQKANXHZWBNNM-UHFFFAOYSA-N 286.357 -0.334 50 20 CBGD CC(C)(O)C(=O)NN=Cc1cn(Cc2cccnc2)nn1 785457798 HFYWPRMLKWEHGX-UHFFFAOYSA-N 288.311 -0.058 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H](NC(N)=O)C(C)(C)C)cn1 800334798 HBVQANRCXKEHLG-QMMMGPOBSA-N 296.331 -0.736 50 20 CBGD CC(C)C(=O)NNC(=O)NC1CC(NS(C)(=O)=O)C1 801068173 VQCQQDPUACTBAV-UHFFFAOYSA-N 292.361 -0.947 50 20 CBGD O=C(COC[C@H]1CCCO1)NNC(=O)N=c1cc[nH]cc1 802033774 NVITUEFKMGMYPN-LLVKDONJSA-N 294.311 -0.148 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](CC(N)=O)C1 808775322 WGIJEOXGDPQOFT-BDAKNGLRSA-N 270.333 -0.870 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1c[nH]nc1C 814835470 RJTCJPCQGLQUIH-QMMMGPOBSA-N 287.345 -0.504 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1CC(C)=NO1 823816124 PKRKQINEIWUWDZ-QMMMGPOBSA-N 258.278 -0.482 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CCCN1c1ncccn1 823846921 OVCAUWAIVCSAID-LLVKDONJSA-N 279.344 -0.209 50 20 CBGD COc1cccnc1CC(=O)NN(C)[C@H](C)CO 823927896 ILUHHPLUGNHHFD-SECBINFHSA-N 253.302 -0.024 50 20 CBGD Cn1ncc(Cl)c1C(=O)NNC(=O)C(C)(C)O 832754826 UCXTXJSCZFEBPU-UHFFFAOYSA-N 260.681 -0.395 50 20 CBGD Cc1cnc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cn1 843642582 XKCFJDFFNJBSHP-IUCAKERBSA-N 264.285 -0.029 50 20 CBGD CCCS(=O)(=O)CC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843648621 RGHCQMNFFTWMHO-IUCAKERBSA-N 292.357 -0.616 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@](C)(O)C1CC1 843970821 LTWCUCZUKQRNKM-LPBBDHJYSA-N 256.302 -0.280 50 20 CBGD CO[C@@]1(C)C[C@H]1NC(=O)NNC(=O)c1cnn(C)c1 852687358 IWXSBBCBXVDNRR-KCJUWKMLSA-N 267.289 -0.459 50 20 CBGD CCNC(=O)CC(=O)NNC(=S)N[C@@H](C)C1CC1 855100279 YHXGYCDCLYQNCG-ZETCQYMHSA-N 272.374 -0.194 50 20 CBGD CCO[C@H](C(=O)NNC(=O)C(=O)NC1CC1)C1CC1 858168101 NGMWWOUKLPVEGZ-VIFPVBQESA-N 269.301 -0.773 50 20 CBGD C[C@@H]1CSC[C@H]1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858448549 CIGRYTOTOANPEP-BWZBUEFSSA-N 286.357 -0.653 50 20 CBGD Cc1cc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)n(C)n1 860288587 REFJFQSSAPGZHR-SSDOTTSWSA-N 280.288 -0.840 50 20 CBGD COC(=O)C[C@H](C)CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862459728 AKHKZNYHYZMKFR-HTQZYQBOSA-N 285.300 -0.998 50 20 CBGD CCC[C@H](C(=O)NN=c1cc[nH]c(C)c1)S(N)(=O)=O 862513695 KRZPHOUIAMQDJI-SNVBAGLBSA-N 286.357 -0.288 50 20 CBGD O=C1CC[C@H](C(=O)NN=C2CN3CCC2CC3)N1 863146631 XXANJRCZYGQQGX-SECBINFHSA-N 250.302 -0.537 50 20 CBGD CC[C@]1(C(=O)NNC(=O)NC2CC2)CCNC1=O 865014737 MHNLRMKYWULYLA-NSHDSACASA-N 254.290 -0.605 50 20 CBGD CC(C)(CCl)CS(=O)(=O)N1C[C@@H](O)[C@@H](CO)C1 867388208 JISDWPZLIXIMKZ-RKDXNWHRSA-N 285.793 -0.134 50 20 CBGD Cc1cc(CC(=O)NNC(=O)C2(N(C)C)CCC2)n[nH]1 869013683 GKNOGRLOUKNZTQ-UHFFFAOYSA-N 279.344 -0.108 50 20 CBGD COCCOCC(=O)NNC(=O)C(=O)C(C)(C)C 869910842 ZGOAOYJSOYYUPI-UHFFFAOYSA-N 260.290 -0.588 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@H]1CCCCN(C)C1=O 874247597 WKSJTZSWGBWAJD-SECBINFHSA-N 270.333 -0.016 50 20 CBGD O=C(NNS(=O)(=O)C[C@@H]1CCCO1)C1CCOCC1 882805645 OQUNSLLYHDHDKX-JTQLQIEISA-N 292.357 -0.457 50 20 CBGD O=C(NC[C@@H]1C=CCC1)NNC(=O)C(=O)NC1CC1 883832943 OTDCYAOSRQYEGB-MRVPVSSYSA-N 266.301 -0.438 50 20 CBGD CC[C@@H]1C(=O)NCCCN1C(=O)c1cccc(B(O)O)c1 886500930 PQLODZUKTAGOFW-GFCCVEGCSA-N 290.128 -0.893 50 20 CBGD COCCCNC(=O)NNC(=O)[C@]1(OC)CCSC1 900384209 BMDJPOYOAMLCAL-NSHDSACASA-N 291.373 -0.125 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1CCC=CO1 913732328 QUSVXLLGTUXCNE-SECBINFHSA-N 267.285 -0.551 50 20 CBGD O=C(CN1CC[C@@H]1CO)NNC(=O)c1ccc(F)cc1 934021021 COEQMZACNITDOE-LLVKDONJSA-N 281.287 -0.347 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCOC1CCCC1 1116182167 WSFDZMWAXJYLRX-UHFFFAOYSA-N 273.289 -0.551 50 20 CBGD C[C@@H]1C[C@H](CNC(=O)NNC(=O)C(=O)NC2CC2)CCO1 1116457078 GZBSWPYYBRWQBU-RKDXNWHRSA-N 298.343 -0.590 50 20 CBGD CS(=O)(=O)CCCC(=O)NNc1cccnn1 1116563189 WZBPDFPVVFYWLC-UHFFFAOYSA-N 258.303 -0.256 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC[S@@](=O)C(C)(C)C 1252438017 IHCAIECULUGKTQ-LJQANCHMSA-N 293.345 -0.963 50 20 CBGD Cn1ncc(C(=O)NNC(=O)C2CCC2)c1-n1cnnc1 1255671199 WCRQONCOPHEOBE-UHFFFAOYSA-N 289.299 -0.438 50 20 CBGD Cn1nncc1C=NNC(=O)CNC(=O)c1cccnc1 1319170817 LHCICIOUNGCECD-UHFFFAOYSA-N 287.283 -0.910 50 20 CBGD COCCCn1nccc1C=NNC(=O)CCO 1321808585 IBERTJMGYQOFKC-UHFFFAOYSA-N 254.290 -0.248 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc[n+]([O-])c1 1326428539 ZJSDSZPGUFAWDH-PSASIEDQSA-N 265.269 -0.494 50 20 CBGD COC(=O)[C@H]1CCC[C@H]1NCC(=O)NNC(=O)C1CC1 1326574217 ZCYUIRCSXMCDNP-VHSXEESVSA-N 283.328 -0.525 50 20 CBGD O=C(c1ccccc1-n1cnnn1)N1CC[C@H](B(O)O)C1 1330260804 BADLPENTJRTLCB-VIFPVBQESA-N 287.088 -0.649 50 20 CBGD CC[C@@H](NC(=O)NNC(=O)c1cccc(F)n1)C(=O)NC 1330580898 CONWIRQIEDKGSM-SSDOTTSWSA-N 297.290 -0.311 50 20 CBGD O=C(Cc1cscn1)NNC(=O)C(=O)N1CCCC1 1347385621 JKHYKCTXCRNPRY-UHFFFAOYSA-N 282.325 -0.545 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)CCN1 1579471156 HZSCWIIVYBQLOE-NXEZZACHSA-N 282.344 -0.856 50 20 CBGD Cc1nc(C(=O)NNC(=O)N(C)C)ccc1-c1nn[nH]n1 1592349229 JPMFZWWTJXXPAC-UHFFFAOYSA-N 290.287 -0.514 50 20 CBGD CCO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)C(=O)O 1596973846 JNLZLPHOMDUDPG-HTQZYQBOSA-N 273.289 -0.251 50 20 CBGD Cn1ncc(C(=O)O)c1NC(=O)NNC(=O)c1ccc[nH]1 1601023919 MSGZMQYVGHTRGI-UHFFFAOYSA-N 292.255 -0.087 50 20 CBGD Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNc1cnnn1C 1605452907 PIDRJGUGXVQSOC-UHFFFAOYSA-N 288.275 -0.611 50 20 CBGD O=C(NNC(=O)c1ccc(C(=O)O)[nH]1)c1ccnnc1 1608479040 IGABAZAVRWCECU-UHFFFAOYSA-N 275.224 -0.422 50 20 CBGD Nc1nccnc1C(=O)NNC(=O)c1ccccc1O 22095228 RTVFMDFDTPWMMJ-UHFFFAOYSA-N 273.252 -0.161 50 20 CBGD CN1CCN(CC(=O)NNC(=O)c2ccccc2O)CC1 109936273 YQGDOUQPIIWPFY-UHFFFAOYSA-N 292.339 -0.599 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1ccc(F)nc1 119044278 MZLJNSNRYUZESM-UHFFFAOYSA-N 255.253 -0.065 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)NCc1ccco1 138857131 FRDJLBHFAAHNCD-SECBINFHSA-N 297.315 -0.053 50 20 CBGD CC(C)NC(=S)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 138960604 ZVMLSMCKQCVAFM-SSDOTTSWSA-N 294.402 -0.740 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1Cc2cc(F)ccc2O1 182752055 VNYDJSSJJPLPCR-VIFPVBQESA-N 254.217 -0.731 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cccc(F)n1 272819561 CFGWZPACKWKUHL-UHFFFAOYSA-N 268.248 -0.093 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1ccc2nc[nH]c2n1 273278401 GJRKNZUJVYEOJI-UHFFFAOYSA-N 290.283 -0.356 50 20 CBGD CC#CCCCC(=O)NNC(=O)C(=O)NC(C)C 274249164 GRWBLQNMTJSKFX-UHFFFAOYSA-N 253.302 -0.148 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CCS(C)(=O)=O)n1 280400883 XRAJKFNQPXSYDW-UHFFFAOYSA-N 285.325 -0.414 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1O[C@H](C)C[C@H]1C 282744716 RYXMJAQIUPAJAA-IWSPIJDZSA-N 271.317 -0.528 50 20 CBGD CC1(C)C[C@H]1NC(=O)NNC(=O)C(=O)N1CCCC1 299534044 SWJCRWNUNIYKOD-MRVPVSSYSA-N 268.317 -0.262 50 20 CBGD CNS(=O)(=O)c1cc(C(=O)NN(C)C(=O)OC)co1 496645654 BPJSWUHUCGBILJ-UHFFFAOYSA-N 291.285 -0.469 50 20 CBGD Cc1nnc([C@@H](C)NC(=O)c2cc(B(O)O)ccc2F)o1 584957116 CLZPNXYWBFJABO-ZCFIWIBFSA-N 293.063 -0.312 50 20 CBGD CN(C(=O)c1cc(B(O)O)ccc1F)C1(CO)CC1 584988850 GRFYSAKIWNVTGE-UHFFFAOYSA-N 267.065 -0.898 50 20 CBGD CC(C)N(C)C[C@H](C)NC(=O)c1cc(B(O)O)ccc1F 584994143 YOFVUEYLZGVUCT-JTQLQIEISA-N 296.151 -0.036 50 20 CBGD CC[C@H](NC(=O)c1cc(B(O)O)ccc1F)[C@@H](C)O 584997670 JYXGOEVEQMVKIY-HQJQHLMTSA-N 269.081 -0.605 50 20 CBGD CC(C)(CO)[C@H](NC(=O)c1ccc(B(O)O)cc1)C1CC1 585004790 NIKOTEDVDAPXCS-CYBMUJFWSA-N 291.156 -0.107 50 20 CBGD CC(C)CNC(=O)CNCc1ccc(B(O)O)cc1 585020875 BPHGWQUKWJXBPP-UHFFFAOYSA-N 264.134 -0.772 50 20 CBGD COCC1(NCc2ccc(B(O)O)o2)CCOCC1 585043005 JALGKLXICFAXSZ-UHFFFAOYSA-N 269.106 -0.755 50 20 CBGD CO[C@@H]1COCC[C@@H]1CNCc1cccc(B(O)O)c1 585044109 YWSJZQXLCLJKJG-TZMCWYRMSA-N 279.145 -0.493 50 20 CBGD CC[C@@H](NCc1ccc(B(O)O)cc1F)[C@@H](C)O 585044548 MKTIQFMJQWYHDA-PRHODGIISA-N 255.098 -0.246 50 20 CBGD COC[C@H](CCNCc1ccc(B(O)O)cc1F)OC 585045227 FSENCDMPLHNOEF-LBPRGKRZSA-N 285.124 -0.353 50 20 CBGD O=C(c1cnn2ncccc12)N1CC[C@@H](B(O)O)C1 585067686 ZMBZQEVRFZFDGN-MRVPVSSYSA-N 260.062 -0.582 50 20 CBGD Cc1nc(C(C)(C)NCC(=O)NNC(=O)C2CC2)no1 733199109 QJUJKJQAGSVVSJ-UHFFFAOYSA-N 281.316 -0.240 50 20 CBGD CNc1ccc(C(=O)NNC(=O)CN(C)C)cc1[N+](=O)[O-] 733361164 RWWXPGLVNYFBQI-UHFFFAOYSA-N 295.299 -0.041 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@@H]1CCCO1 733952229 ZEXHHKPXLPOWSJ-ZJUUUORDSA-N 289.332 -0.453 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCN(C2CC2)C1 734285453 NIVDPUCQOGFMJZ-SECBINFHSA-N 270.333 -0.410 50 20 CBGD Cc1c(C(=O)NNC(=O)CNc2ccccc2)nnn1C 743293097 LKLNBKKMFGXXKP-UHFFFAOYSA-N 288.311 -0.003 50 20 CBGD O=C(CO)NNC(=O)c1nc(N2CCCC2)ncc1Cl 753442159 AGDFNZYNOQKEKZ-UHFFFAOYSA-N 299.718 -0.517 50 20 CBGD CC(C)N(CCO)CC(=O)NNC(=O)C(C)(C)C 754664721 AFEBEKUJTLEEQW-UHFFFAOYSA-N 259.350 -0.117 50 20 CBGD Cc1cc(OCC(=O)NNC(=O)Cc2cc[nH]n2)no1 755277389 QZJOOJJUYSZXKI-UHFFFAOYSA-N 279.256 -0.525 50 20 CBGD CN1CCC[C@H]1C(=O)NNC(=O)Cc1cc[nH]n1 755285833 VLFKIKIPRPJWAZ-VIFPVBQESA-N 251.290 -0.806 50 20 CBGD CN(C)C(=O)c1ccc(NC(=O)NNC(=O)CO)cc1 755446022 NBXCCVVBQKLJIO-UHFFFAOYSA-N 280.284 -0.467 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@H]2CCCOC2)nn1 757403645 FAAFBTLAASXMGW-ZETCQYMHSA-N 265.273 -0.555 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CC=CC1 758054156 NTQDXVCPPAJNSW-ZETCQYMHSA-N 275.330 -0.962 50 20 CBGD COCCC1(C(=O)NNC(=O)C(=O)NC(C)C)CCC1 760304963 OGQNRGOOGJHYFY-UHFFFAOYSA-N 285.344 -0.135 50 20 CBGD CC[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@@H]1O 761123180 KRNMGFRLXZPUQL-UWVGGRQHSA-N 271.361 -0.117 50 20 CBGD CN(C)N(C(=O)[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 764158308 HNRXHQZLXXEBHV-ZJUUUORDSA-N 276.358 -0.342 50 20 CBGD COc1nccnc1NNC(=O)c1cccc(=O)n1C 764471549 XITVMPUUOOKSBT-UHFFFAOYSA-N 275.268 -0.059 50 20 CBGD COC(=O)CCCNC(=S)NNC(=O)c1cc(C)[nH]n1 764496707 ACIVEUKYZJBHEC-UHFFFAOYSA-N 299.356 -0.220 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H](O)c1cccnc1 764879385 CRMZJLZUUDDPKL-JTQLQIEISA-N 282.300 -0.518 50 20 CBGD COC(=O)c1ccc(NNC(=O)C(C)(C)C(N)=O)nc1 768121062 MLMLNDOOCVMIOF-UHFFFAOYSA-N 280.284 -0.177 50 20 CBGD CC1CC(C#N)(C(=O)NNc2ccc(C(N)=O)nn2)C1 768230319 JIHJERHAZRLWPR-UHFFFAOYSA-N 274.284 -0.042 50 20 CBGD Cn1cc(C(=O)NNC(=O)C(C)(C)O)c(C(F)F)n1 768259739 ONPHVINFVSJUCW-UHFFFAOYSA-N 276.243 -0.110 50 20 CBGD O=C(CO)NNC(=O)c1cccnc1OCC(F)F 777782845 RJFSVOBHIOEDQK-UHFFFAOYSA-N 275.211 -0.521 50 20 CBGD COC(=O)CNC(=O)NN=Cc1ccoc1C(=O)OC 779816789 NDBUYTBBJURQKI-UHFFFAOYSA-N 283.240 -0.128 50 20 CBGD Cc1nc(CC(=O)NNC(=O)N2CCN(C)CC2)cs1 781933045 FDHODRDUOXCUSW-UHFFFAOYSA-N 297.384 -0.018 50 20 CBGD CO[C@@H](C)CCC(=O)NNC(=O)N1CCOCC1 782611521 BSSMBCPBCIRNGU-VIFPVBQESA-N 259.306 -0.126 50 20 CBGD COC(=O)CNC(=O)COC(=O)/C(C#N)=C/C1CC1 786670350 QCATXIWIAOOIFC-RUDMXATFSA-N 266.253 -0.321 50 20 CBGD O=C1C[C@@H](C(=O)NNc2nc3ccccn3n2)CCN1 791258704 XAJVDFVXFDSJHB-QMMMGPOBSA-N 274.284 -0.301 50 20 CBGD CN(C)C(=O)NNC(=O)Cc1ccc(C(N)=O)cc1 792597109 LIQACKLJMNTZEF-UHFFFAOYSA-N 264.285 -0.370 50 20 CBGD CNc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cn1 796210426 RFPMENPRRGZGCB-UHFFFAOYSA-N 274.284 -0.150 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 804029943 JQCWDILAFCTVFQ-UHFFFAOYSA-N 275.272 -0.422 50 20 CBGD NC(=O)NN=Cc1ccc(F)c(S(N)(=O)=O)c1 807943949 SSWPOSXHJKIUCE-UHFFFAOYSA-N 260.250 -0.525 50 20 CBGD CON=CC(=O)NNC(=O)Cc1nc2ccccc2n1C 809557325 BFHUWMSHQYHBOF-UHFFFAOYSA-N 289.295 -0.105 50 20 CBGD COc1cc(C)nc(NNC(=O)N[C@@H]2COC[C@H]2OC)n1 827476924 FGJANUAITLNBDZ-RKDXNWHRSA-N 297.315 -0.166 50 20 CBGD C[C@H](C(=O)NNC(=O)CN1CCCC1=O)c1ccccn1 827831817 KLMCQNHRGGHLHJ-JTQLQIEISA-N 290.323 -0.045 50 20 CBGD Cc1cc(C(=O)NNC(=O)CN2CCCC2=O)ccn1 827831975 RQFJJLQVCYRLJA-UHFFFAOYSA-N 276.296 -0.227 50 20 CBGD C[C@@H](C[C@@H](C)N)NC(=O)NNC(=O)C(=O)N1CCCC1 831203084 QPSSFNSSKHDEMU-BDAKNGLRSA-N 285.348 -0.935 50 20 CBGD N[C@@H]1CCC[C@H]2CN(CC(=O)NNC(=O)C3CC3)C[C@@H]12 843367643 GYBGZNQEDTYADT-QJPTWQEYSA-N 280.372 -0.397 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnn(C)n1 843652499 BFZPLUAZTJCXEI-RNFRBKRXSA-N 253.262 -0.999 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CNC(=O)C(C)(C)C 843971924 CMAZSKGHEJJNMA-BDAKNGLRSA-N 285.344 -0.279 50 20 CBGD CN(C)c1nc(N)nc(C(=O)NNC(=O)OC(C)(C)C)n1 846629510 NWIVSKFHKCTDKH-UHFFFAOYSA-N 297.319 -0.311 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 854286621 UZGPBNMVKWGMSZ-HTQZYQBOSA-N 290.345 -0.474 50 20 CBGD CCC[C@@H](C(=O)NNc1ncncc1F)S(N)(=O)=O 854608780 FTOQBHKHNWRQEC-ZETCQYMHSA-N 291.308 -0.484 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@H]2CC(=O)N2)cc1F 854882848 PNIMGQSZEDWQGD-SECBINFHSA-N 281.243 -0.056 50 20 CBGD Cc1c(CC(=O)NNC(=O)c2cc[nH]n2)cnn1C 855356671 VSXNHNOOEFRFTB-UHFFFAOYSA-N 262.273 -0.545 50 20 CBGD Cn1nccc1COCC(=O)NNC(=O)c1cc[nH]n1 855356743 XBXISBQJQZDRNR-UHFFFAOYSA-N 278.272 -0.879 50 20 CBGD C[C@@H](NNC(=O)[C@H]1CCS(=O)(=O)N1)C(F)(F)F 862323164 QIMMSIQJTQSAJR-RFZPGFLSSA-N 275.252 -0.750 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cccnc2C2CC2)N1 862459976 CLLFVIRSRHMHPG-SNVBAGLBSA-N 288.307 -0.001 50 20 CBGD C[C@H](Oc1ccccn1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862462103 UPMRMGGGWZGAIP-IUCAKERBSA-N 292.295 -0.725 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@]1(C)COc2ccccc2O1 863864934 CANZYYLICFRZOS-AWEZNQCLSA-N 293.323 -0.075 50 20 CBGD C#CCN(C)CCCNC(=O)c1cc(B(O)O)ccc1F 863883558 FMWADAAUWZBVET-UHFFFAOYSA-N 292.119 -0.810 50 20 CBGD COCCOCC(=O)NNC(=O)c1cc(C(C)C)n(C)n1 869910446 SRXXJIUGURHJOR-UHFFFAOYSA-N 298.343 -0.033 50 20 CBGD CC1(C)CCN(CCNC(=O)c2ccc(B(O)O)cc2)C1 890065597 CCOIMRZIVASQIZ-UHFFFAOYSA-N 290.172 -0.172 50 20 CBGD O=C(NNC(=O)[C@H]1CCCS(=O)(=O)C1)c1ncccn1 1118256710 VHHIXJOPQGFXAS-QMMMGPOBSA-N 298.324 -0.938 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCCN(CC(F)F)C1 1119022841 GVCPKLAKQMLLKS-MRVPVSSYSA-N 293.314 -0.118 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H]1CCN(C)C(=O)C1 1248568285 APHKQLXAEAZHCN-QMMMGPOBSA-N 272.374 -0.242 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cccc(C[S@@](C)=O)c1 1251834360 ZEQXAMWBFDVFDT-HXUWFJFHSA-N 297.380 -0.112 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCCN(C(N)=O)CC1 1253338445 QJEKHXZJGOQDMW-VIFPVBQESA-N 285.348 -0.981 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ncccn1 1261498207 YCNHIAINECETDV-VHSXEESVSA-N 278.312 -0.018 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)N=c1cc[nH]cc1)C(=O)O 1261554869 PPCXGBDLYYVIHZ-ZETCQYMHSA-N 281.272 -0.440 50 20 CBGD C[C@H](C(=O)NNc1ncccn1)N1CCN(C)CC1 1318447749 BHSLKGZXRHDLHZ-SNVBAGLBSA-N 264.333 -0.444 50 20 CBGD CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1ccnn1C 1320799737 ZRUCKMBQVDVUPF-UHFFFAOYSA-N 290.283 -0.296 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](C)Cc1ccncc1 1323553625 YMMRVFUFXNUWGU-MRVPVSSYSA-N 280.284 -0.484 50 20 CBGD COC(=O)N(C)NC(=O)c1ccc(C(N)=O)cn1 1323938003 ALEHOWSOBSHPPW-UHFFFAOYSA-N 252.230 -0.477 50 20 CBGD Cn1ncc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1C1CC1 1329172807 PCUREVSPQDJUEJ-VIFPVBQESA-N 291.311 -0.663 50 20 CBGD CCc1nc(C(=O)NNC(=O)C(=O)N2CCCC2)co1 1342879097 XRHRPLLRMQTHNQ-UHFFFAOYSA-N 280.284 -0.380 50 20 CBGD COC(=O)N(C)NC(=O)N[C@@H](C)[C@H]1CN(C)CCN1C 1346767417 PYSRQCSIRUTRBI-VHSXEESVSA-N 287.364 -0.467 50 20 CBGD CO[C@@]1(C(=O)NNc2ccccn2)CCS(=O)(=O)C1 1350585386 JTPNLNKYSHQPJT-NSHDSACASA-N 285.325 -0.272 50 20 CBGD CC1(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)COC1 1549320956 OWTVDHBKMPWGTE-QWRGUYRKSA-N 267.329 -0.012 50 20 CBGD C[C@@H]1CCN(CCNC(=O)NNC(=O)C2CCNCC2)C1 1576732803 XTMNZIRZQDCTLX-LLVKDONJSA-N 297.403 -0.342 50 20 CBGD C=CCNC(=S)NNC(=O)[C@]1(C(=O)O)C[C@H]1C 1588465575 UNMYNODZPXGQFL-LDWIPMOCSA-N 257.315 -0.222 50 20 CBGD C[C@@](C#N)(CC(=O)O)C(=O)NNC(=O)[C@H]1CCCO1 1588541655 JQHDWRXAZPDWSC-HQJQHLMTSA-N 269.257 -0.683 50 20 CBGD CC(=O)NNC(=O)c1ccc(F)c(-c2nn[nH]n2)c1 1588870031 RYLIOYYAGFOXDF-UHFFFAOYSA-N 264.220 -0.213 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1C[C@@H](F)C[C@H]1C(=O)O 1589693664 UZMLYQGAJVQDDB-YUMQZZPRSA-N 289.307 -0.323 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CC1)[C@H]1CCCCO1 1594778902 CJMDIKMVJHYICJ-SSDOTTSWSA-N 256.258 -0.432 50 20 CBGD O=C(NNC(=O)[C@@]1(C(=O)O)CCCO1)C1CCCC1 1594783262 XULCWKDLPQGNCJ-GFCCVEGCSA-N 270.285 -0.042 50 20 CBGD COCCOCC(=O)NN[C@H](C(=O)O)c1cccnc1 1599247762 NNCNLXLNICAGFP-NSHDSACASA-N 283.284 -0.509 50 20 CBGD O=C(NNC(=O)c1cccnn1)c1ccnc(C(=O)O)c1 1601555471 CNQRYMINSISMCT-UHFFFAOYSA-N 287.235 -0.355 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc(C(=O)O)o2)N1 1602637698 DBSVYEPKBMRNHP-RXMQYKEDSA-N 281.224 -0.983 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C(=O)O)c1nc(C(C)(C)C)no1 1609767041 CWMJEPXAZFUTRQ-RXMQYKEDSA-N 299.287 -0.157 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1cncc(C(=O)O)c1 1776097218 SCARYUZKLJBBDJ-UHFFFAOYSA-N 299.308 -0.335 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc2c(c1)OCCO2 7405199 AKCZJCVQTNBQCF-UHFFFAOYSA-N 272.282 -0.213 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)CC(=O)NC1CC1 111194931 NDJVVQGGOVVXRS-SNVBAGLBSA-N 298.387 -0.221 50 20 CBGD CCNC(=O)[C@H](C)NS(=O)(=O)CBr 127023558 WMSJSGBKVGVFNU-YFKPBYRVSA-N 273.152 -0.217 50 20 CBGD O=C(NCc1ccc(F)cc1)C(=O)NNC(=O)C1CC1 266018947 JMIVYLZARBTWIT-UHFFFAOYSA-N 279.271 -0.001 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCN(C[C@@H](C)O)CC1 275497589 XLEZZGDXGTYXIG-KPMWUXBGSA-N 267.329 -0.045 50 20 CBGD CCOC(=O)NNS(=O)(=O)c1cn(C)c(C)n1 490915812 MNSWOPWCJYIECI-UHFFFAOYSA-N 262.291 -0.332 50 20 CBGD O=C(CO)NNC(=O)CNC(=O)OCc1ccccc1 494622849 BSKQGZXJGFFVQQ-UHFFFAOYSA-N 281.268 -0.948 50 20 CBGD COC(=O)N(C)NC(=O)c1csc(S(N)(=O)=O)c1 495629854 WWHQVVPEWDMVAV-UHFFFAOYSA-N 293.326 -0.262 50 20 CBGD O=C(NCCCO[C@H]1CCOC1)c1cccc(B(O)O)c1 584958217 MTGDTIADMFBKSW-ZDUSSCGKSA-N 293.128 -0.708 50 20 CBGD C[C@H]1CN(C)C[C@@H]1NC(=O)c1ccc(B(O)O)cc1 584958222 MZUQDXSNYUQYQB-CABZTGNLSA-N 262.118 -0.954 50 20 CBGD O=C(N[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(B(O)O)c(F)c1 584958477 OYOZRPKLXLGNKQ-JFUSQASVSA-N 279.076 -0.445 50 20 CBGD CCC[C@@H](NC(=O)c1ccc(B(O)O)cc1)c1nn[nH]n1 584960157 HXZOHACISDBVRK-SNVBAGLBSA-N 289.104 -0.849 50 20 CBGD C[C@H]1C[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)CCO1 584969534 NAXPGDZLQBLMGY-WCBMZHEXSA-N 281.092 -0.197 50 20 CBGD CC[C@@H](CNC(=O)c1ccc(B(O)O)c(F)c1)OC 584991465 ZEJLGOBNRJGQNY-VIFPVBQESA-N 269.081 -0.340 50 20 CBGD CCN(C(=O)c1ccc(B(O)O)c(F)c1)C1COC1 584995253 KBOCYMVONIWJGV-UHFFFAOYSA-N 267.065 -0.634 50 20 CBGD C[C@H](NCc1ccccc1B(O)O)c1cnn(C)c1 585025208 OHLFETQITUWPEF-JTQLQIEISA-N 259.118 -0.049 50 20 CBGD Cc1cccnc1CCNCc1ccc(B(O)O)o1 585044164 ZZUOUGRQWLTHMO-UHFFFAOYSA-N 260.102 -0.005 50 20 CBGD CCCCn1cc(S(=O)(=O)NCB(O)O)c(C)n1 585057083 KGRSSQKCIDGHRZ-UHFFFAOYSA-N 275.139 -0.718 50 20 CBGD CC(=O)NNC(=O)Nc1nc2nc(C)cc(C)n2n1 725853521 UALYVFXWZOLUPE-UHFFFAOYSA-N 263.261 -0.086 50 20 CBGD O=C(NCCOCC1CC1)NNC(=O)C(=O)NC1CC1 731119902 WSJNUPIVFVGCCN-UHFFFAOYSA-N 284.316 -0.978 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCCCN1C 737778869 RTRKCBKBKNYZSJ-SECBINFHSA-N 270.333 -0.857 50 20 CBGD COc1ccnc(NNC(=O)c2n[nH]c(C)c2O)n1 747652484 WZVLVTWBPOYNGG-UHFFFAOYSA-N 264.245 -0.021 50 20 CBGD N#Cc1ccc(NNC(=O)Cn2ccc(O)nc2=O)cc1 748106460 RKVDFIXCOHRMEC-UHFFFAOYSA-N 285.263 -0.036 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 749599717 PJMXMBPWNQMBHD-JTQLQIEISA-N 282.344 -0.063 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1cc(Cl)cnc1N 754749562 SUFQZSZARWYMFX-UHFFFAOYSA-N 293.736 -0.218 50 20 CBGD CC(CN1C(=O)CCC1=O)=NNC(=O)c1cnccn1 754922711 ITKQZBTXCPMJRS-UHFFFAOYSA-N 275.268 -0.269 50 20 CBGD COC[C@H](C)CC(=O)NNC(=O)N1CCOCC1 755264660 ZKXJZWXXBUWSAI-SECBINFHSA-N 259.306 -0.268 50 20 CBGD Cc1ccc(C(=O)N(C)C)cc1NC(=O)NNC(=O)CO 755891371 UFPYYTYMJAJKBE-UHFFFAOYSA-N 294.311 -0.158 50 20 CBGD O=C(CO)NNC(=O)Cc1ccc2c(c1)COC2 758543844 SGKULDJUTMQUSZ-UHFFFAOYSA-N 250.254 -0.601 50 20 CBGD O=C(CNC(=O)C1CC1)NNc1ncc(F)cn1 760909190 YOUVNLHWFAOTAI-UHFFFAOYSA-N 253.237 -0.415 50 20 CBGD CO[C@]1(CNC(=O)NNC(=O)C2CCC2)CCOC1 763712543 JXHZESNDXISLDD-LBPRGKRZSA-N 271.317 -0.078 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(SC)nc1 764299973 JZVLTNBHRDGZBY-UHFFFAOYSA-N 298.324 -0.464 50 20 CBGD C[C@H]1CC(=O)CC[C@@H]1C(=O)NNC(=O)C(C)(C)O 768244113 IVZWKUSUDFJCGW-CBAPKCEASA-N 256.302 -0.090 50 20 CBGD C[C@H]1COC(=O)C1=NNC(=O)[C@@H]1CCS(=O)(=O)C1 794889628 UHTIWAKULDMIAG-NKWVEPMBSA-N 274.298 -0.914 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@](C)(C#N)CC(=O)O 820354564 ZAWJWTGPRPBLEY-SNVBAGLBSA-N 256.262 -0.317 50 20 CBGD CCCCC[C@H](O)C(=O)NNC(=O)C(=O)NC(C)C 822232557 OXSSFWWLFONJOK-VIFPVBQESA-N 273.333 -0.400 50 20 CBGD CC[C@@H](NC(=O)NNC(=O)C(=O)NC1CC1)C1CC1 822572757 SFHNFIFGJMVYOZ-SECBINFHSA-N 268.317 -0.216 50 20 CBGD CCN(CCO)NC(=O)CCNC(=O)c1ccco1 823833736 GZVRKLJTHOABSX-UHFFFAOYSA-N 269.301 -0.255 50 20 CBGD Cc1cnc2nc(C(=O)NN(C)[C@H](C)CO)nn2c1 823908254 VFAJTNUDTNSDHG-MRVPVSSYSA-N 264.289 -0.610 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2CCCN2C=O)n1 829483404 YFOBTCIIJOLZLM-SECBINFHSA-N 279.300 -0.142 50 20 CBGD COC(=O)NC(C)(C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843650221 ABHWHBPRFMYKCU-HTQZYQBOSA-N 287.316 -0.307 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)CC1=CCCOC1 852519030 STSVBMVZRVJKMT-UHFFFAOYSA-N 267.329 -0.178 50 20 CBGD CC(C)(C)n1nnc(C=NNC(=O)c2cc[nH]n2)n1 853391581 SFGUMIIMALGHPR-UHFFFAOYSA-N 262.277 -0.085 50 20 CBGD CC1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 858691999 OJVPKWSXRZLKFH-SECBINFHSA-N 268.317 -0.262 50 20 CBGD C/C(=C\C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 862451398 BVKFYNOPPVGTSB-UCUJLANTSA-N 251.286 -0.231 50 20 CBGD CC[C@H](C)CC[C@@H](O)CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862460026 YTZURGWMEUVQQB-HBNTYKKESA-N 299.371 -0.010 50 20 CBGD N#C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)CCN1C1CC1 863890095 JQOPBDOIFIRJNZ-AWEZNQCLSA-N 299.139 -0.821 50 20 CBGD CN1C(=O)CS/C1=C/C(=O)NNC(=O)NC1CC1 874194047 NZANBUXDNNKBPN-RUDMXATFSA-N 270.314 -0.474 50 20 CBGD COC[C@](C)(CO)N[C@H](C)C(=O)NNC(=O)CC(C)C 879161827 DFUQQZJZPVVFPJ-MFKMUULPSA-N 289.376 -0.445 50 20 CBGD COc1nn(C)cc1C(=O)NNC(=O)NCC1CC1 883958679 CEIVKHQIHIGVNI-UHFFFAOYSA-N 267.289 -0.217 50 20 CBGD C[C@@H](O)CN(C)NC(=O)C(C)(C)N1CCOCC1 910152508 MSGZVIHIVFIZCT-SNVBAGLBSA-N 259.350 -0.559 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21 911503425 UBZKEIOXIXSOTH-WFADCGHZSA-N 266.297 -0.216 50 20 CBGD COc1ccncc1NC(=O)C(=O)NNC(=O)CC1CC1 1116620644 HSAIOXMPDPQJOC-UHFFFAOYSA-N 292.295 -0.024 50 20 CBGD CC(C)n1cc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)nn1 1117530496 RANFITPHEPTDCW-VIFPVBQESA-N 299.356 -0.256 50 20 CBGD C[C@H](NC(=O)NNC(=O)c1cn[nH]c1)[C@H]1CN(C)CCO1 1118805627 GGXBVUUDEISLRY-WCBMZHEXSA-N 296.331 -0.927 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc(C)nc1C 1254888502 FSPVTJLBZQWCND-UHFFFAOYSA-N 250.258 -0.196 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccc(C(=O)N(C)C)cc1 1261223263 PDBSKHSXBZVYKB-UHFFFAOYSA-N 276.296 -0.286 50 20 CBGD CC(C)c1nocc1C(=O)NNC(=O)CS(C)(=O)=O 1261835093 IRQONTNTWKNZNX-UHFFFAOYSA-N 289.313 -0.396 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H](C)c1cnn(C)c1 1261880990 SXVHEEVABYJKJB-VIFPVBQESA-N 284.316 -0.666 50 20 CBGD N#CC1=CCN(C(=O)c2nc(O)nc(O)c2N)CC1 1295164319 MLPFVNKFGQLMGW-UHFFFAOYSA-N 261.241 -0.234 50 20 CBGD NC(=O)Cn1cc(C(=O)NNc2cccc(F)c2)nn1 1319387116 QGBLDXVRAOTSSD-UHFFFAOYSA-N 278.247 -0.341 50 20 CBGD CC(C)C(=O)NNC(=O)NCc1ccc(C(N)=O)o1 1319457321 IGLGZCUHFJCWDV-UHFFFAOYSA-N 268.273 -0.135 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1cc(C)cn(C)c1=O 1320259976 KRYYXAYXRJHIKS-UHFFFAOYSA-N 296.283 -0.590 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 1320358824 YUSGZUCEGNNXKL-UHFFFAOYSA-N 294.242 -0.570 50 20 CBGD O=C(NNC(=O)C1CC1)C(=O)Nc1ccc(F)nc1 1321139925 CJNQGBYAKRCZKR-UHFFFAOYSA-N 266.232 -0.283 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@]1(F)CCOC1 1323035246 QJUWMDXPFXDTKC-NSHDSACASA-N 255.249 -0.085 50 20 CBGD Cc1c(C(=O)NNc2ccnc(N(C)C)n2)nnn1C 1323275585 YKGSPYGQMOVUDI-UHFFFAOYSA-N 276.304 -0.264 50 20 CBGD NC(=O)N1CCC[C@H](C(=O)NN=c2cc[nH]cc2)C1 1323605262 HZXATDFJXBWZLW-VIFPVBQESA-N 263.301 -0.263 50 20 CBGD Cn1ncc(C(=O)NNC(=O)CC2CC2)c1-n1cnnc1 1324389058 UWIGBGJLQPRIDD-UHFFFAOYSA-N 289.299 -0.438 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cnnn1C 1326015098 BUUUKLUOGUHLFC-VXNVDRBHSA-N 282.304 -0.930 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)Sc1nnc(N)n1C 1327661299 FORSPWFYKRQPJX-YFKPBYRVSA-N 272.334 -0.565 50 20 CBGD Cn1nc(C(=O)NNC(=S)NCC2CCC2)ccc1=O 1328356965 PKPAHQXWGPSPIR-UHFFFAOYSA-N 295.368 -0.311 50 20 CBGD CCc1nocc1C(=O)NNC(=O)CS(C)(=O)=O 1329206768 ASPDWUJWLFIOJW-UHFFFAOYSA-N 275.286 -0.957 50 20 CBGD Cn1cc([C@H](CO)NS(=O)(=O)CCl)cn1 1329370871 QLQILRGPGRPARV-ZETCQYMHSA-N 253.711 -0.431 50 20 CBGD CN(C)N(C(=O)Cc1cc[nH]n1)[C@H]1CCS(=O)(=O)C1 1330175716 JRYFYRFFEBPOKF-JTQLQIEISA-N 286.357 -0.556 50 20 CBGD COc1ccc(C(=O)NNC(=O)NCC(=O)N(C)C)cc1 1337445903 BVUYJGCAJZOVRR-UHFFFAOYSA-N 294.311 -0.273 50 20 CBGD NC(=O)C1(O)CN(C(=O)C2CCC(Cl)CC2)C1 1350122188 PTLJQBUMNSGTRU-UHFFFAOYSA-N 260.721 -0.157 50 20 CBGD NC[C@H](O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 1580329029 XWAINJPYSZMYOW-RLFZITJJSA-N 281.356 -0.330 50 20 CBGD O=C(NNC(=O)C1(C2(O)CNC2)CCC1)C1CC1 1580733198 PHBNJSUYMWZNJJ-UHFFFAOYSA-N 253.302 -0.952 50 20 CBGD CC(C)C[C@@H](C(=O)O)N(C)CC(=O)NNC(=O)C1CC1 1591428565 KBFGCKOUDOJHPN-JTQLQIEISA-N 285.344 -0.025 50 20 CBGD CO[C@](C)(C(=O)O)C(=O)NNC(=O)c1ccc(C#N)cc1 1593926520 JEPMEPVAUJVOEO-ZDUSSCGKSA-N 291.263 -0.191 50 20 CBGD CCC[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)O 1596020227 INEHZNSCHUTRFU-JTQLQIEISA-N 265.074 -0.651 50 20 CBGD CC(C)[C@H](C(=O)O)C(=O)NNC(=O)C1CCOCC1 1602970671 YYSXUPCFOSTAEK-VIFPVBQESA-N 272.301 -0.083 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cc(-c2nn[nH]n2)cn1C 1603566564 PJWMVIKDOZWBOV-SSDOTTSWSA-N 279.304 -0.837 50 20 CBGD CCO/C=C(\C#N)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1604413167 BJFMSODYKKJPAD-AATRIKPKSA-N 299.254 -0.156 50 20 CBGD COc1nccnc1NNC(=O)c1cnc(C(=O)O)cn1 1604912222 SSXBZBJOAGCUSB-UHFFFAOYSA-N 290.239 -0.270 50 20 CBGD O=C(NC[C@H]1CCC(F)(F)C1)NNC(=O)C(=O)O 1610692743 VKFKOFZQTIVHIF-YFKPBYRVSA-N 265.216 -0.163 50 20 CBGD CC(C)NC(=O)C(=O)NN=Cc1cc(C(=O)O)nn1C 1776027228 LLOXJAUUEJGUCV-UHFFFAOYSA-N 281.272 -0.907 50 20 CBGD O=C(CN[C@H](C(=O)O)C1CC1)NNC(=O)c1cccs1 54522621 QJDYMKIHUGQZRN-JTQLQIEISA-N 297.336 -0.038 50 20 CBGD COC(=O)NCC(=O)NNC(=O)Cn1nc(C)cc1C 58837689 MIDAFVHTCHIRFQ-UHFFFAOYSA-N 283.288 -0.997 50 20 CBGD CN(CC(=O)NNC(=O)c1cnn(C)c1)[C@@H]1CCSC1 161252214 SZJGLXBVSSDNMN-SNVBAGLBSA-N 297.384 -0.382 50 20 CBGD CCn1nccc1/C=C/C(=O)NNC(=O)N1CCOCC1 178767776 ZLHOULSBKKZLFE-ONEGZZNKSA-N 293.327 -0.011 50 20 CBGD CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NN(C)C(N)=O 194438291 IPQZAQZNPGYUIG-YFKPBYRVSA-N 284.238 -0.269 50 20 CBGD COC(=O)NCCCC(=O)NNC(=O)NC1CC1 264476670 XKOZIMCEVHQRMU-UHFFFAOYSA-N 258.278 -0.385 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C(C)(C)C)C(=O)NCCF 281778844 DEFHYBXZKGJQPZ-SSDOTTSWSA-N 276.312 -0.163 50 20 CBGD COC(=O)[C@H]1CC[C@@H](C(=O)NNc2nccc(OC)n2)O1 289496902 JODSYWMVBNQFQD-JGVFFNPUSA-N 296.283 -0.351 50 20 CBGD Nc1nc(C2CC2)ncc1C(=O)NNC(=O)[C@@H]1CCCO1 295437531 WHWTUABMWANWSW-VIFPVBQESA-N 291.311 -0.124 50 20 CBGD O=C(NNC(=O)[C@@H]1CSCCS1)C(=O)NC1CC1 298178544 XKGWAQQWWNXUHD-ZETCQYMHSA-N 289.382 -0.739 50 20 CBGD COC(=O)NNC(=O)CCN1C(=O)NC2(CCCC2)C1=O 299204314 PXTHJWLKTKVCNV-UHFFFAOYSA-N 298.299 -0.372 50 20 CBGD O=C(NNc1ccc(Cl)nn1)[C@@H]1CN2CCCN1CC2 362078238 LNMDXLGIIWGHDF-VIFPVBQESA-N 296.762 -0.037 50 20 CBGD CCO/C=C(\C#N)C(=O)N(CC)[C@H]1CC(=O)NC1=O 491129103 FZXVTEXYJBJXFA-FLOXNTQESA-N 265.269 -0.306 50 20 CBGD O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc(B(O)O)cc1 584934091 OSBBJCXKCGMFGW-GFCCVEGCSA-N 274.129 -0.667 50 20 CBGD O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(B(O)O)c(F)c1 584964427 CZYFNJAOJHDRBL-MGCOHNPYSA-N 281.092 -0.461 50 20 CBGD C[C@H](O)[C@@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 584965477 RKBLCILDQWPPFF-VHSXEESVSA-N 295.119 -0.262 50 20 CBGD O=C(N[C@@H]1CCCCC[C@H]1O)c1ccc(B(O)O)c(F)c1 584989515 FKEQFCVIWNFOGA-CHWSQXEVSA-N 295.119 -0.071 50 20 CBGD C[C@H]1[C@H](N(C)C)CCN1C(=O)c1cc(B(O)O)ccc1F 584992893 PWGLDOLPMRTCNQ-TVQRCGJNSA-N 294.135 -0.330 50 20 CBGD C=CCC[C@H](CO)NC(=O)c1ccc(B(O)O)cc1 585001446 WDMRLMDBHUDVOZ-GFCCVEGCSA-N 263.102 -0.577 50 20 CBGD CN(C)C1(CNCc2ccc(B(O)O)o2)CCCC1 585014545 VGMHDWPBFCVMKJ-UHFFFAOYSA-N 266.150 -0.077 50 20 CBGD CC(C)(C)C(=O)NCCNCc1ccc(B(O)O)cc1 585026606 ILHQVJRKYKGENG-UHFFFAOYSA-N 278.161 -0.382 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)CCNC(N)=O 726140051 PIBZSPHADCHXNP-UHFFFAOYSA-N 261.351 -0.661 50 20 CBGD CC[C@H](C)C(=O)NNC(=S)NCCNS(C)(=O)=O 727076040 BEWMFEDRAFYDJZ-ZETCQYMHSA-N 296.418 -0.923 50 20 CBGD CC(C)(NC(=O)O)C(=O)NNC(=O)c1ccc[nH]1 736336607 JUXSYOWYVCQCCQ-UHFFFAOYSA-N 254.246 -0.178 50 20 CBGD O=C1CC(C(=O)NNC(=O)COCc2ccccc2)=NN1 738545312 BTMQBEBHDALHAI-UHFFFAOYSA-N 290.279 -0.774 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCC(CC(N)=O)CC1 744386555 HYNPPHDIRUASSF-UHFFFAOYSA-N 298.387 -0.233 50 20 CBGD CC(=O)c1c[nH]c(C(=O)NNC(=O)N2CCOCC2)c1 745992233 WWDKRUQDBSIFEJ-UHFFFAOYSA-N 280.284 -0.096 50 20 CBGD CO[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@H]1OC 753809642 WVWVQRXUDGVBDQ-AOOOYVTPSA-N 287.360 -0.475 50 20 CBGD C#CCOc1cccc(NC(=O)NNC(=O)CO)c1 756478900 GTLMBUXZRMEKPJ-UHFFFAOYSA-N 263.253 -0.156 50 20 CBGD C[C@H](OCC1CC1)C(=O)NNc1ccc(C(N)=O)nn1 757406624 DPVRAORPJBGGMU-ZETCQYMHSA-N 279.300 -0.166 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccccc1OC 764300128 LQOXUXOCHSVGLK-UHFFFAOYSA-N 281.268 -0.573 50 20 CBGD CC(C)(C(N)=O)C(=O)NNC(=O)c1ccc(C#N)cc1 767780121 ZGZRRACKHXGXBP-UHFFFAOYSA-N 274.280 -0.169 50 20 CBGD C[C@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)C(C)(C)O 768243824 GNBTXKGTJRQMIV-VIFPVBQESA-N 299.371 -0.010 50 20 CBGD CN(NC(=O)C1(C(=O)NC2CC2)CCC1)C(N)=O 778411156 BRUMWGPOSNCFAF-UHFFFAOYSA-N 254.290 -0.523 50 20 CBGD O=C(NNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccccn1 788260650 CZSROTJQEMJDLN-UHFFFAOYSA-N 276.212 -0.212 50 20 CBGD CN(NC(=O)[C@H]1CCN(CC(F)(F)F)C1)C(N)=O 792291158 YULQNNFFLQFTQC-LURJTMIESA-N 268.239 -0.088 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@@](C)(C(N)=O)C1 796580817 LPLGHWNIHIQYFK-QMTHXVAHSA-N 298.387 -0.234 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@](F)(CO)C1 802011426 AQJOYEMMHZOBOH-LDYMZIIASA-N 261.297 -0.661 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 824627740 VFHSUWQZNBWSRZ-OPRDCNLKSA-N 282.344 -0.016 50 20 CBGD COCCOCCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 825769769 DGYQWUMNNKOKHD-NXEZZACHSA-N 289.332 -0.595 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H]2NCC[C@H]2C1 843386984 MWWNVJIRIMCZPK-DCAQKATOSA-N 268.361 -0.384 50 20 CBGD CO[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)C1CC1 843659134 WNWVVYFZYOZYSR-SFGNSQDASA-N 256.302 -0.016 50 20 CBGD NS(=O)(=O)C1(C(=O)NNC(=O)C2CCCC2)CC1 845192559 UHANJXKFASQVJU-UHFFFAOYSA-N 275.330 -0.855 50 20 CBGD CCONC(=O)CNC(=O)NNC(=O)Cc1ccncc1 845544116 OPUAZAUSIDCCCE-UHFFFAOYSA-N 295.299 -0.978 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@H]1CCOC1 854280872 GVRBIVAMQMMLMP-VIFPVBQESA-N 275.374 -0.103 50 20 CBGD COC(=O)NCC(=O)NNC(=O)OCC(F)(F)F 856024093 HNPDSWDAADMFIF-UHFFFAOYSA-N 273.167 -0.338 50 20 CBGD COc1nccnc1NNC(=O)C1(O)CCOCC1 857540163 WXLGSCRONGQSFU-UHFFFAOYSA-N 268.273 -0.530 50 20 CBGD CC1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 858267315 HQOZWYDNFUKQSF-SSDOTTSWSA-N 254.290 -0.605 50 20 CBGD CCO[C@@H](C(=O)NNC(=O)c1cc[nH]n1)C1CC1 862167935 HFQQFUGJVHKZAE-SECBINFHSA-N 252.274 -0.014 50 20 CBGD CSCCCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862455255 NHNFFPAUFZYRRT-QMMMGPOBSA-N 273.358 -0.054 50 20 CBGD C[C@@]1(C(=O)NNC(=O)CS(C)(=O)=O)CCCCO1 863466053 OOQYIJIXBQQANA-JTQLQIEISA-N 278.330 -0.862 50 20 CBGD N#C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)CCN1C1CC1 863891000 WJJXQCYCDVNVNY-CQSZACIVSA-N 299.139 -0.821 50 20 CBGD COC(=O)N(C)NC(=O)N[C@@H](C)CN1CCOCC1 875074015 KWBZIPICWZXBNI-VIFPVBQESA-N 274.321 -0.381 50 20 CBGD O=C(CN1O[C@H]2C=C[C@H]1CC2)NNC(=O)C1CC1 879801337 LWSRVXKAQPBTRE-UWVGGRQHSA-N 251.286 -0.122 50 20 CBGD CNC(=O)NNC(=O)CCn1cc(Br)cn1 919879463 GCJODDOFJBCYAB-UHFFFAOYSA-N 290.121 -0.004 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@H]2CC[C@H]1[C@@H](O)C2 925065912 VIUNHSGPTQNZAM-HJIKLVIJSA-N 293.103 -0.509 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@@H]1CCN1C 925412698 HSEWVNQNYNXJGV-ZJUUUORDSA-N 288.348 -0.928 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)OC2 1115915739 OIPGLPRXAREUEQ-UHFFFAOYSA-N 299.308 -0.179 50 20 CBGD CCOCC(=O)NNC(=O)NCc1nc(C)no1 1116010839 HMZCMSRDZKJXIP-UHFFFAOYSA-N 257.250 -0.755 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cncnc1 1116601938 UAKFQBOKXAEIMF-UHFFFAOYSA-N 251.246 -0.837 50 20 CBGD CC(C)(C)OC(=O)C(=O)NNC(=O)C1CCNCC1 1118788822 RJDBPIBJXORDHH-UHFFFAOYSA-N 271.317 -0.525 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCC[S@](C)=O 1121829889 PAKGVUKJHZIETJ-JCULFZFRSA-N 291.373 -0.490 50 20 CBGD COCc1ccccc1NC(=O)C(=O)NNC(=O)CCO 1320241223 PZFNQXNRUXITCQ-UHFFFAOYSA-N 295.295 -0.699 50 20 CBGD CC(C)(O)C(=O)NNC(=O)C1(C#N)CCOCC1 1320824873 LKUMWXRRXJUQAD-UHFFFAOYSA-N 255.274 -0.775 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](C)c1cnccc1C 1323365673 YFCUAESCTPBGIC-MRVPVSSYSA-N 280.284 -0.046 50 20 CBGD CCn1ccc(C(=O)NNc2nccn(C)c2=O)n1 1326357946 FUMURLPTLSZAJA-UHFFFAOYSA-N 262.273 -0.246 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cccc(F)n1 1327716298 JFDMWUOHTMFOTG-UHFFFAOYSA-N 254.221 -0.283 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccc(C(N)=O)[nH]1 1328815216 NJMBSLXFXRJPSW-UHFFFAOYSA-N 283.288 -0.906 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ncccn1 1329673704 ZUKRMKJXHAZZOV-DTWKUNHWSA-N 279.300 -0.268 50 20 CBGD O=C(NNC(=O)c1c[nH]cc(Cl)c1=O)C(=O)NC1CC1 1344676415 KXDIDDHPJRWEJU-UHFFFAOYSA-N 298.686 -0.932 50 20 CBGD COc1cnc(C(=O)NNC(=O)NC(C)C)nc1 1347647671 NPYIAEHPQWPKMK-UHFFFAOYSA-N 253.262 -0.162 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC2CCSCC2)N1 1352360846 PKRJUKFGHMZUAH-MRVPVSSYSA-N 286.357 -0.509 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)NCc2cnn[nH]2)cn1 1577652925 AWEDZMIDHSYJMG-XNWCZRBMSA-N 257.257 -0.238 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CC[C@@H](CCC(=O)O)O1 1590882411 COQLEZBTSMJTDJ-JGVFFNPUSA-N 288.300 -0.683 50 20 CBGD O=C(NNc1nc[nH]n1)c1ccc(-c2nn[nH]n2)o1 1593167527 SUKTWAVWHCFEFA-UHFFFAOYSA-N 261.205 -0.665 50 20 CBGD Cn1nc(C(=O)O)cc1NC(=O)c1cccc(B(O)O)c1 1601006164 AIJLKQSXMPDENZ-UHFFFAOYSA-N 289.056 -0.950 50 20 CBGD COC(=O)N(C)NS(=O)(=O)c1cc(C(=O)O)cn1C 1606488249 VKQCHCJINRXYTH-UHFFFAOYSA-N 291.285 -0.385 50 20 CBGD Cc1cc(=NNC(=O)[C@H]2CC[C@@H](C(=O)O)O2)cc[nH]1 1607696022 UZNGPVHNCCMLHS-ZJUUUORDSA-N 265.269 -0.113 50 20 CBGD CCN(CCO)CC(=O)NNC(=O)c1cccs1 49754394 DFCGGUXXLYOHSW-UHFFFAOYSA-N 271.342 -0.177 50 20 CBGD CCNC(=O)NNC(=O)c1cccc(-c2nnn[nH]2)c1 95301310 IPUKBCRMGWGSKK-UHFFFAOYSA-N 275.272 -0.169 50 20 CBGD O=C(CN1CCNCC1=O)NNc1ccc(F)cc1 237763569 HVHOIHMBLPAPHL-UHFFFAOYSA-N 266.276 -0.299 50 20 CBGD CC[C@H](SC)C(=O)NNC(=O)C(=O)N1CCCC1 269459008 FYWGJEBTMOVDRE-QMMMGPOBSA-N 273.358 -0.102 50 20 CBGD O=C(NNC(=O)c1ccc(F)cc1O)C(=O)N1CCCC1 269708126 MXPFVFUBVWWVGI-UHFFFAOYSA-N 295.270 -0.085 50 20 CBGD COC(=O)CNC(=O)[C@H](C)N1CC=C(C#N)CC1 272701735 WIPABSGVVJJPCN-VIFPVBQESA-N 251.286 -0.180 50 20 CBGD COc1ccc(NNC(=O)N[C@H]2CCN(C)C2=O)nc1 276041797 XTKMDYHUNYNPMU-VIFPVBQESA-N 279.300 -0.053 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CNC(=O)c1ccccc1 276313588 VLJBTVVIFNCAPA-UHFFFAOYSA-N 279.296 -0.665 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cncs2)CC1 288030764 QSYBIJJSQPEELV-UHFFFAOYSA-N 269.330 -0.255 50 20 CBGD C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NN)C2=O 361761984 GOMMEIITMDZBOX-RDDDGLTNSA-N 254.290 -0.523 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCN(CCO)CC1 490783611 RPLOTORMFPGJHP-ZHACJKMWSA-N 253.302 -0.433 50 20 CBGD CCOC(=O)NNC(=O)CNC(=O)c1ccc(O)cc1 491075242 GBULBGUCJIDUBU-UHFFFAOYSA-N 281.268 -0.101 50 20 CBGD C#CCN(CC#N)CC(=O)NNC(=O)C(C)(C)C 491780817 JEAJHXKGAJTNNL-UHFFFAOYSA-N 250.302 -0.361 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)CCO1 584926600 UQRWKCGMJWXHBH-QMMMGPOBSA-N 267.065 -0.634 50 20 CBGD C[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@@H]1CO 584979352 RMIZZPWBYDUXQR-PRHODGIISA-N 281.092 -0.652 50 20 CBGD CC(C)[C@H](O)CCNCc1cccc(B(O)O)c1 585029739 STJMYYOWMKMCNT-CYBMUJFWSA-N 251.135 -0.137 50 20 CBGD CC(C)[C@@H]1C(=O)NCCN1CC(=O)NNC(=O)C(C)(C)C 744397076 ZMADUIZCDGHMIU-LLVKDONJSA-N 298.387 -0.364 50 20 CBGD O=C(NNC(=O)C1(C(=O)NC2CC2)CC1)c1ccccn1 749389060 MGQHJLUYPYYSTN-UHFFFAOYSA-N 288.307 -0.099 50 20 CBGD CNC(=O)c1cccc(NC(=O)NNC(=O)CO)c1 755515145 PDTYMZMNLYAPSS-UHFFFAOYSA-N 266.257 -0.809 50 20 CBGD Cc1csc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)n1 755700666 YYTVYUQFQRWVGU-ZETCQYMHSA-N 290.370 -0.161 50 20 CBGD CN(C)S(=O)(=O)CCC(=O)NNc1ncccn1 765471916 LYOXNIQJURKMQH-UHFFFAOYSA-N 273.318 -0.799 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H](C)[C@@H]1CCOC1 771813096 QULZUQUIRWOENS-KXUCPTDWSA-N 257.334 -0.053 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CCCOCC1 776635875 PABKXDVNBJNPLX-VIFPVBQESA-N 259.306 -0.078 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)Cc1cc(C)no1 782477323 NIDHIFXSCJPLSN-UHFFFAOYSA-N 276.318 -0.021 50 20 CBGD NC(=O)CCCC(=O)NNC(=O)c1ccncc1 786590879 WWHLDFQKIPYDPE-UHFFFAOYSA-N 250.258 -0.502 50 20 CBGD Cc1n[nH]c(C)c1CC(=O)NNC(=O)C(=O)N1CCCC1 786852289 SHEXFVDCMNVLKP-UHFFFAOYSA-N 293.327 -0.661 50 20 CBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNC(=O)c1cccn1C 788631539 ZEDQOESDXVUDQD-HTRCEHHLSA-N 266.257 -0.717 50 20 CBGD CCNC(=O)NNC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O 791128501 QDZARTBKYOVLNZ-ZDUSSCGKSA-N 296.327 -0.742 50 20 CBGD CO[C@H](C(=O)NNC(=O)c1cccnc1)c1cnn(C)c1 798823355 MLBCMGTWNSDPHA-NSHDSACASA-N 289.295 -0.036 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](CO)OC(C)(C)C1 817279124 ITTDTNALLQFGDY-VHSXEESVSA-N 287.360 -0.596 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CNC(=O)c1ccc(F)cc1 821218305 XSEZLKKNSFIYBF-SECBINFHSA-N 283.303 -0.101 50 20 CBGD CC1=NO[C@H](C(=O)NNC(=O)Cc2cccnc2)C1 826123534 QFSIYWCVMDXOHD-JTQLQIEISA-N 262.269 -0.064 50 20 CBGD Cc1cnc2nc(C(=O)NNC(=O)C3CCC3)nn2c1 827216156 MBNZKLRJELSXOT-UHFFFAOYSA-N 274.284 -0.006 50 20 CBGD O=C(NNS(=O)(=O)N1CCCCC1)[C@@H]1CCCCO1 830034999 VRYOXLHTTTUIAJ-JTQLQIEISA-N 291.373 -0.093 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)c1cc(C)[nH]n1 831418921 UKYKMZMBDAJWSG-QMMMGPOBSA-N 256.262 -0.859 50 20 CBGD NS(=O)(=O)N1CCC[C@H](C(=O)NNc2ccccn2)C1 831755300 DEBQGNNMFHJOSX-VIFPVBQESA-N 299.356 -0.560 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cncnc1 843655164 IFDNNNRTXUPOBB-IONNQARKSA-N 250.258 -0.337 50 20 CBGD Cc1ncc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(N)n1 844146917 SHXGUJKBQOGRMD-SVRRBLITSA-N 279.300 -0.447 50 20 CBGD C[C@H]1CCCc2ncc(C(=O)NNC(=O)CO)n21 846636109 BMOXREIVCKEZMA-ZETCQYMHSA-N 252.274 -0.466 50 20 CBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)C1CCCC1 847335914 FZCRKJVVKSWDQC-IUCAKERBSA-N 253.302 -0.165 50 20 CBGD O=C(NNc1nc2ccccn2n1)[C@@H]1CCCS1(=O)=O 847891932 LQKOHJLLCJFSPA-QMMMGPOBSA-N 295.324 -0.250 50 20 CBGD CN[C@H]1CCN(S(=O)(=O)CBr)C1 850581347 DBIWHOBPDOXWGV-LURJTMIESA-N 257.153 -0.038 50 20 CBGD O=C(NNC(=O)[C@@H]1COCCO1)OCC(F)(F)F 856025093 JFEXATQQELSDAA-YFKPBYRVSA-N 272.179 -0.279 50 20 CBGD C=CCCN(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858699581 UMYVZTYTBAIUFQ-MRVPVSSYSA-N 254.290 -0.486 50 20 CBGD CSCC[C@H](NS(=O)(=O)CCl)C(N)=O 859297335 XUXXIZUGZWGTTD-YFKPBYRVSA-N 260.768 -0.291 50 20 CBGD COC(=O)CN(C(=O)c1cccc(B(O)O)c1)C1CC1 863881933 UDIITKWKBRTJFV-UHFFFAOYSA-N 277.085 -0.856 50 20 CBGD COC(=O)[C@](C)(CO)NS(=O)(=O)CCCCCl 867380265 FXGFGUXDNYOWIM-VIFPVBQESA-N 287.765 -0.151 50 20 CBGD CC(=O)N[C@@](C)(C(=O)NNC(=O)CN(C)C)C(C)C 894133356 JVSNCWCREDHQGH-GFCCVEGCSA-N 272.349 -0.754 50 20 CBGD Cc1nc([C@@H](C)NCc2cccc(B(O)O)c2)n[nH]1 894777038 IGAFKWNEQQISCG-MRVPVSSYSA-N 260.106 -0.356 50 20 CBGD C[C@H](NCc1cccc(B(O)O)c1)[C@H](C)C(=O)O 901444746 IWKSQNOUAGVFSH-IUCAKERBSA-N 251.091 -0.435 50 20 CBGD COc1ccnc(NNC(=O)c2c[nH]c(C(N)=O)c2)n1 917099741 UAJYTCMBZHTZPR-UHFFFAOYSA-N 276.256 -0.331 50 20 CBGD COCCCNC(=O)/C(C#N)=C\c1cn(CC(=O)O)nn1 1253190088 JIFIJNVDROWYQO-UITAMQMPSA-N 293.283 -0.578 50 20 CBGD CCn1cc(-c2nn(C)cc2C(=O)NNC(=O)NC)cn1 1320763714 LUAFDSXGFUTEQO-UHFFFAOYSA-N 291.315 -0.123 50 20 CBGD Cc1cccc(NNC(=O)C(=O)NCC(=O)N(C)C)n1 1329122849 JQYJWSUSIVQYGW-UHFFFAOYSA-N 279.300 -0.962 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc[n+]([O-])cc1 1329540043 QWDPMCSVSOYEPZ-WPRPVWTQSA-N 265.269 -0.494 50 20 CBGD CCN(CC)CCNC(=O)NNC(=O)c1cccnn1 1330842615 XMFIDPPRWPQKNP-UHFFFAOYSA-N 280.332 -0.238 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C2CC2)n1 1331617181 YINPKPXMQRKEEU-SECBINFHSA-N 291.311 -0.663 50 20 CBGD O=C(CCCn1ccnc1)NNC(=O)[C@@H]1CCC(=O)N1 1331803987 QLBXMVGCYSORHA-VIFPVBQESA-N 279.300 -0.911 50 20 CBGD Cc1cc(C)nc(NNC(=O)CNC(=O)[C@H]2CCCN2)n1 1346003735 ZGIPKQKXONJHFE-SNVBAGLBSA-N 292.343 -0.595 50 20 CBGD N[C@@H]1CCC[C@@H]1C(=O)NNc1ccccc1S(N)(=O)=O 1580376405 ZXAQLJMKNLGLSH-DTWKUNHWSA-N 298.368 -0.096 50 20 CBGD C[C@H](C(=O)O)C(=O)NNc1ccnc(N(C)C)n1 1588575564 FXZTUHSPBUXSGL-LURJTMIESA-N 253.262 -0.294 50 20 CBGD C[C@@H](O)CN(C)NC(=O)C1(C(=O)O)CCOCC1 1589152503 OZMOGECDFOPXSH-MRVPVSSYSA-N 260.290 -0.788 50 20 CBGD COCC1(CCNC(=O)NNC(=O)C(=O)O)CCC1 1599197434 HNVVGYFYJSXNHX-UHFFFAOYSA-N 273.289 -0.392 50 20 CBGD O=C(NC[C@@H]1C[C@@H]2CCC[C@@H]2O1)NNC(=O)C(=O)O 1601478883 NBEAROIDXSMKPF-FXQIFTODSA-N 271.273 -0.641 50 20 CBGD O=C(O)c1cc(C(=O)NNC(=O)C2CCOCC2)on1 1602247467 TXSWDZYJXPNJDZ-UHFFFAOYSA-N 283.240 -0.440 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CC2CC1(C(=O)O)C2 1603301190 SNBBKLFKICPPAH-UHFFFAOYSA-N 283.328 -0.271 50 20 CBGD Cc1ccc(CC(=O)NNC(=O)C(=O)NC2CC2)cc1 8402708 PPAZZKVHBVTQEO-UHFFFAOYSA-N 275.308 -0.036 50 20 CBGD CC1CCN(CC(=O)NNC(=O)C(=O)N2CCCC2)CC1 135483172 QPAKAVQOFDMIJT-UHFFFAOYSA-N 296.371 -0.512 50 20 CBGD COC(=O)NC(C)(C)C(=O)NNC(=O)c1ccccn1 264244991 FXUMEXOMSOUWDB-UHFFFAOYSA-N 280.284 -0.023 50 20 CBGD CCCCOCC(=O)NNC(=O)C(=O)NC(C)C 265427682 QOMJLWSYTQBIQO-UHFFFAOYSA-N 259.306 -0.525 50 20 CBGD CO[C@H]1COC[C@@H]1NC(=O)NNC(=O)c1ccc(C)o1 291225712 OTJRTVKDRZAFHO-WPRPVWTQSA-N 283.284 -0.054 50 20 CBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=O)C1CCCC1 496870821 KAPVBHXWFSXYKK-POYBYMJQSA-N 255.274 -0.179 50 20 CBGD CCN1CCC[C@@H]1CNC(=O)c1cc(B(O)O)ccc1F 584925870 RKGWAFDGNTUNOB-LLVKDONJSA-N 294.135 -0.280 50 20 CBGD COCC[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 584937502 VBINMFFHDZLAKT-SECBINFHSA-N 251.091 -0.479 50 20 CBGD CC(C)[C@H](CO)CNC(=O)c1ccc(B(O)O)cc1 584990122 PCXJTEAWDAMRAZ-NSHDSACASA-N 265.118 -0.639 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@](F)(CO)C1 584990191 RCXJDKZWGMWXFK-ZDUSSCGKSA-N 281.092 -0.697 50 20 CBGD O=C(NCCO[C@@H]1CCCCO1)c1cccc(B(O)O)c1 584990607 GLEJWOVPZJCOGM-CYBMUJFWSA-N 293.128 -0.361 50 20 CBGD O=C(NCCC1(CO)CCC1)c1ccc(B(O)O)c(F)c1 585005149 ZGYRUUHVFZGVPF-UHFFFAOYSA-N 295.119 -0.212 50 20 CBGD CC1CCN(C[C@@H](O)CNCc2ccc(B(O)O)o2)CC1 585022165 UBCZZCAREPCLEQ-LBPRGKRZSA-N 296.176 -0.858 50 20 CBGD OB(O)c1ccccc1CNC[C@@H]1CN2CCC[C@H]2CO1 585022404 NJZIVKLRVOWKPY-UONOGXRCSA-N 290.172 -0.681 50 20 CBGD Cc1c(CCNCc2ccc(B(O)O)cc2)cnn1C 585028707 OSKXLSPMJLONJG-UHFFFAOYSA-N 273.145 -0.259 50 20 CBGD C[C@@H](Cn1cnnc1)NCc1ccccc1B(O)O 585029963 CGINTCQHIXLKMH-JTQLQIEISA-N 260.106 -0.864 50 20 CBGD Cc1cc(CCNCc2ccc(B(O)O)o2)on1 585040806 QECUWISGEPDDON-UHFFFAOYSA-N 250.063 -0.412 50 20 CBGD CO[C@@H](CNCc1ccc(B(O)O)o1)[C@@H]1CCOC1 585045141 CHVLEWNCQUJZTA-KOLCDFICSA-N 269.106 -0.900 50 20 CBGD COc1ccc(N2C[C@H](C(=O)NCB(O)O)CC2=O)cc1 585060837 KQBOFAWKMLHXLB-SECBINFHSA-N 292.100 -0.824 50 20 CBGD O=C(CN1CCCC[C@@H]1C(=O)O)NNC(=O)C1CC1 738467551 SBSCRBRCAHSKNG-SECBINFHSA-N 269.301 -0.517 50 20 CBGD Cc1ncc(CO)c(C=NNC(=O)C(=O)NC2CC2)c1O 744824105 NLDYSXMKWUBQQM-UHFFFAOYSA-N 292.295 -0.683 50 20 CBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)C(C)(C)C 746129633 OYPSNLPHZKRLGA-UHFFFAOYSA-N 293.389 -0.149 50 20 CBGD CCNC(=O)NNC(=O)CCN1CCN(CC)CC1 746166731 GLFMGFJDTTYGTF-UHFFFAOYSA-N 271.365 -0.636 50 20 CBGD O=C(CO)NNC(=O)CCc1nc2ccccc2o1 753442828 PMWCCAJXIIKSCG-UHFFFAOYSA-N 263.253 -0.100 50 20 CBGD C[C@]1(C(=O)NNC(=O)CO)Cc2ccccc2C(=O)O1 753444542 NFIKECPYBQHYQD-CYBMUJFWSA-N 278.264 -0.702 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCO[C@@H]([C@H]2CCCO2)C1 756896568 LPNDGNZWNXIJSH-QJPTWQEYSA-N 299.371 -0.188 50 20 CBGD NC(=O)[C@H](Cc1ccccc1)NNC(=O)c1cnccn1 758144141 QZPIMGOKCPUZCT-NSHDSACASA-N 285.307 -0.192 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@H]1CCNC(=O)C1 760304885 PJLLTNWQOBTYPT-QMMMGPOBSA-N 264.285 -0.688 50 20 CBGD CN(NC(=O)c1cccc([N+](=O)[O-])c1O)C(N)=O 770535119 XWNKALQKQOVLJJ-UHFFFAOYSA-N 254.202 -0.044 50 20 CBGD Cc1cccc2c(=O)c(C(=O)NNC(=O)CO)c[nH]c12 776189086 ZXPDNOOSQOHUIM-UHFFFAOYSA-N 275.264 -0.410 50 20 CBGD Cc1onc(CC(=O)NNC(=O)N2CCOCC2)c1C#N 779505566 ITHOJSFLUJIBRE-UHFFFAOYSA-N 293.283 -0.530 50 20 CBGD CN(C)c1cnc(C(=O)NNC(=O)NCC2CC2)cn1 779658993 IESREJVEYFZUDJ-UHFFFAOYSA-N 278.316 -0.103 50 20 CBGD CC(=O)N[C@@H](C(=O)NNC(=O)C(C)(C)O)C1CCCC1 787947428 ODXAYQDNIFRHRK-SNVBAGLBSA-N 285.344 -0.400 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1csc(O)n1 792108151 SLCKTXUEUAYKHU-UHFFFAOYSA-N 272.286 -0.465 50 20 CBGD CC(=O)C1(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 815225989 KAQHBXUZBUHQAH-UHFFFAOYSA-N 293.279 -0.474 50 20 CBGD C[C@H]1CN(S(=O)(=O)CCl)CCN1S(C)(=O)=O 831042063 AWSSLCRZUUDHIZ-ZETCQYMHSA-N 290.794 -0.522 50 20 CBGD CCn1nncc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843662653 UNHRABJRJRXLSI-JGVFFNPUSA-N 267.289 -0.516 50 20 CBGD CC(C)[C@](C)(O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843970902 MVIFYKTVKGPTLE-SBMIAAHKSA-N 258.318 -0.034 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CCN(C)C(=O)C1 854926597 FDPIYBJTUHXWHJ-SSDOTTSWSA-N 258.347 -0.678 50 20 CBGD O=C(NNC(=O)C1(O)CCCCC1)c1cc[nH]n1 855357656 OCDYBFFMSYZSRG-UHFFFAOYSA-N 252.274 -0.134 50 20 CBGD CN(CC(=O)NNC(=O)c1cc[nH]n1)C(=O)C1CC1 855358789 WBWVGVVXALEPJB-UHFFFAOYSA-N 265.273 -0.961 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C[C@@H]1CC[C@@H]2C[C@H]12 863465785 LCPLSARWTDDDAO-VGMNWLOBSA-N 274.342 -0.385 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CC[C@@H](CF)C2)N1 883738163 RNCWQGYOBHNZEV-YUMQZZPRSA-N 272.280 -0.703 50 20 CBGD COC(=O)C12CC(C(=O)NN(C)C[C@H](C)O)(C1)C2 910147733 SQLSIPOPHCRQEG-RKWZHAFESA-N 256.302 -0.327 50 20 CBGD C[C@H](O)CN(C)NC(=O)CNC(=O)c1ccccc1 910182461 IMEXHEDACHVUIU-JTQLQIEISA-N 265.313 -0.240 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)Cn1cncn1 919820733 YZPGSYOYWXMALV-UHFFFAOYSA-N 289.295 -0.323 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccncc2)CN1 1115852035 CLNMRYZVGUUBFA-VIFPVBQESA-N 262.269 -0.631 50 20 CBGD O=C1COc2ncc(C(=O)NNC(=O)NC3CC3)cc2N1 1116452697 OMJYVZBYQUGGLY-UHFFFAOYSA-N 291.267 -0.481 50 20 CBGD Cn1ccnc(NNC(=O)CC[C@@]2(C)CCC(=O)N2)c1=O 1116554026 CTBDIVXAEFBLLS-CYBMUJFWSA-N 293.327 -0.328 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCCC[C@@H]1CO 1118982113 HJQYWKMSRNYAMV-SNVBAGLBSA-N 281.092 -0.508 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1noc2c1COCC2 1119047727 MQQGIVUDIFOMGB-ZETCQYMHSA-N 255.274 -0.295 50 20 CBGD C#CCOCCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 1261453871 RFTUYZSRATZSGG-UWVGGRQHSA-N 269.301 -0.608 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cn(C)c(C)cc1=O 1261526789 WEAQRLUJARPUJA-UHFFFAOYSA-N 266.301 0.000 50 20 CBGD CCn1cnnc1CNC(=O)NNC(=O)C1CCC1 1318411018 QEHXANYEOPDTNS-UHFFFAOYSA-N 266.305 -0.072 50 20 CBGD COC(=O)C(=O)NN[C@@H](C(=O)OC)c1ccccc1 1318970276 YHPFHCDPYZCJJW-SECBINFHSA-N 266.253 -0.306 50 20 CBGD COCCOc1ccc(NC(=O)NNC(=O)CCO)cn1 1320399995 RULBJDMHJYRCJX-UHFFFAOYSA-N 298.299 -0.358 50 20 CBGD CCC(=O)N[C@H](CCSC)C(=O)NNC(C)=O 1324411607 KTCBAFGGJBFEEL-MRVPVSSYSA-N 261.347 -0.198 50 20 CBGD NC(=O)C(=O)NN=Cc1ccccc1-n1cncn1 1324459031 AMZMNKBPLARIAH-UHFFFAOYSA-N 258.241 -0.797 50 20 CBGD Cc1cc(NNC(=O)CCS(C)(=O)=O)ncn1 1328388754 BNVNQFSWSLBSJY-UHFFFAOYSA-N 258.303 -0.337 50 20 CBGD C[C@@H](C(=O)NNC(=O)N=c1cc[nH]cc1)[C@H]1CCC(=O)N1 1335202437 RAWIIGNPTARBTQ-PSASIEDQSA-N 291.311 -0.429 50 20 CBGD O=C(CCCNC(=O)C1CC1)NNC(=O)C1CCOCC1 1353030353 OLEQQULTGGQJSD-UHFFFAOYSA-N 297.355 -0.133 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@@H]1NCC1(C)C 1573977713 IIVVGZFXJISWKJ-VIFPVBQESA-N 288.417 -0.142 50 20 CBGD CCc1ccc(C(=O)NNC(=O)[C@@H]2CNCCN2C)cc1 1578252455 BACBMHOYWFXYGK-ZDUSSCGKSA-N 290.367 -0.086 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)c1cnsn1)C(=O)O 1589055846 CXLMDPGZZMJTNR-BYPYZUCNSA-N 273.274 -0.797 50 20 CBGD CC(C)(C(=O)O)C(=O)NNC(=O)[C@@]1(C)CCCO1 1589181156 GKOOEKHRYXGHSU-LLVKDONJSA-N 258.274 -0.186 50 20 CBGD O=C(NNC(=O)[C@H](C(=O)O)C1CC1)c1ccccn1 1594779156 JZILDUGGNFIVBT-SECBINFHSA-N 263.253 -0.047 50 20 CBGD O=C(O)CC[C@H]1C[C@H](C(=O)NNC(=O)NCC2CC2)CO1 1595002848 BAOLNIUXWNHSJZ-UWVGGRQHSA-N 299.327 -0.003 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@H]1CCO[C@H]1C(=O)O 1596864762 WHZGSIVBZHIYGA-PUCWJLDJSA-N 254.242 -0.211 50 20 CBGD Cn1nncc1NNC(=O)c1ccnc(C(=O)O)c1 1601044793 ONAJCTXRXFZLIL-UHFFFAOYSA-N 262.229 -0.335 50 20 CBGD O=C(NCCc1cc(F)ccc1F)NNC(=O)C(=O)O 1601508264 DLZOUNOLOCIELB-UHFFFAOYSA-N 287.222 -0.078 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)[C@H]1CC(C(=O)O)=NO1 1602907600 BUXHZMIWHJRAHH-ZCFIWIBFSA-N 273.245 -0.228 50 20 CBGD O=C(NNC(=O)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C2)c1ncon1 1605814602 JQPFLAQRGSKGAK-WSFZALMZSA-N 294.267 -0.278 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H]2CC[C@H]2C(=O)O)O1 1607463840 VCAYVLTWAXLMOI-MAUMQABQSA-N 270.285 -0.188 50 20 CBGD CC(C)(C)[C@@H]1C[C@@H](NC(=O)NNC(=O)C(=O)O)CCO1 1609654835 LVAAVEUTKBMEST-YUMQZZPRSA-N 287.316 -0.005 50 20 CBGD C[C@@H]1[C@H](C(=O)O)CCN1CC(=O)NNC(=O)C1CC1 1609832112 GWLOELXCICCYKZ-VXNVDRBHSA-N 269.301 -0.661 50 20 CBGD O=C(NCCC[C@@H]1CCCCO1)NNC(=O)C(=O)O 1610689574 BUYJDVNMFLUJBW-QMMMGPOBSA-N 273.289 -0.249 50 20 CBGD O=C(NCCc1ccccc1F)NNC(=O)C(=O)O 1610693807 AKCRNSHFMIXFHR-UHFFFAOYSA-N 269.232 -0.217 50 20 CBGD C[C@@H](O)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841353710 LCRKIFJQOXWLSJ-BDAKNGLRSA-N 290.747 -0.830 50 20 CBGD COC(=O)c1cccc(C(=O)NNC(=O)NC2CC2)n1 49128582 MUHVHRJKLXRIMC-UHFFFAOYSA-N 278.268 -0.025 50 20 CBGD CCCCNC(=O)NNC(=O)CCN1CCOC1=O 49143472 AVNFAJXOMQZIPA-UHFFFAOYSA-N 272.305 -0.041 50 20 CBGD CNC(=O)NNC(=O)CNC(=O)c1ccc(F)cc1F 57292328 DYIUODINZMGLAB-UHFFFAOYSA-N 286.238 -0.345 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1cnn(C)c1 111194629 SBUPSAHWISCDIP-SECBINFHSA-N 267.333 -0.202 50 20 CBGD NC(=O)CN(CC(=O)NNC(=O)C1CC1)C1CCCC1 112977028 GUVCBAAQGIXVNU-UHFFFAOYSA-N 282.344 -0.726 50 20 CBGD O=C(NNC(=O)c1cccc(-n2cnnn2)c1)NC1CC1 138637202 VJHNNSGEQWZITP-UHFFFAOYSA-N 287.283 -0.231 50 20 CBGD O=C(CO)NNC(=O)Cc1cccc([N+](=O)[O-])c1 180949330 UNTNIAJDPRNSMO-UHFFFAOYSA-N 253.214 -0.723 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)N2CCCC2)n1 194791035 MFARVVJPWPXPRS-UHFFFAOYSA-N 293.327 -0.730 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)NC2CCCC2)CC1 264270062 AWMDZMIJZLKGLA-UHFFFAOYSA-N 268.317 -0.214 50 20 CBGD CCOC(=O)NCCCC(=O)NNC(=O)C(C)(C)O 277985024 OVORPKUVLJKJIG-UHFFFAOYSA-N 275.305 -0.569 50 20 CBGD COC(=O)N(C)NC(=O)CC(=O)NCC(F)(F)F 286244742 GRIWYSVLYAVFBF-UHFFFAOYSA-N 271.195 -0.216 50 20 CBGD Cc1cc(C)nc(NNC(=O)CN2CCCS2(=O)=O)n1 298679931 AUKZIIPNORDXSN-UHFFFAOYSA-N 299.356 -0.428 50 20 CBGD CN1C[C@H](C(=O)NNC(=O)NCc2ccco2)CC1=O 299247673 YFCUTJZFMVMNIH-MRVPVSSYSA-N 280.284 -0.412 50 20 CBGD COC(=O)NNS(=O)(=O)c1cnn(CC(F)F)c1 495606289 XRODMSYAEIWGQO-UHFFFAOYSA-N 284.244 -0.303 50 20 CBGD O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc(B(O)O)c(F)c1 584932601 AMZMXDUXSWAFJU-SNVBAGLBSA-N 292.119 -0.528 50 20 CBGD C[C@@H](CNC(=O)c1cccc(B(O)O)c1)Cn1ccnc1 584951121 UZEBWQJOGUIMCO-NSHDSACASA-N 287.128 -0.371 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCOC[C@H]1C1CC1 584968395 WYRQOENMPSIRIU-ZDUSSCGKSA-N 293.103 -0.244 50 20 CBGD C=CCN(C)CCN(CC)C(=O)c1cccc(B(O)O)c1 584983133 SYEAGKHYVOOABY-UHFFFAOYSA-N 290.172 -0.054 50 20 CBGD CO[C@H]1COCC[C@@H]1CNC(=O)c1ccc(B(O)O)cc1 584998535 REGSYUNKFRVNLZ-YPMHNXCESA-N 293.128 -0.852 50 20 CBGD C[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C[C@H]1CO 585010625 NXSODKSKNJIPLS-PWSUYJOCSA-N 277.129 -0.543 50 20 CBGD C[C@H](CN1CCOC[C@H]1C)NCc1ccc(B(O)O)cc1 585021594 MHCLDQJGEJENQY-CHWSQXEVSA-N 292.188 -0.435 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCc3c[nH]nc3C2)o1 585031504 WIUSLXHYWZQQSB-SECBINFHSA-N 261.090 -0.670 50 20 CBGD OB(O)c1ccccc1CN[C@H]1COc2ccccc2[C@H]1O 585041078 MUEIHFSQOKYKEV-GOEBONIOSA-N 299.135 -0.049 50 20 CBGD Cc1nc(C(=O)NCB(O)O)nn1-c1ccc(F)cc1 585060235 AYJODCAPRMFQQY-UHFFFAOYSA-N 278.052 -0.543 50 20 CBGD O=C(NCB(O)O)c1ccc2c(c1)nc(O)n2C1CC1 585063408 ZFLZLGAWWLCACD-UHFFFAOYSA-N 275.073 -0.181 50 20 CBGD O=C(CNC(=O)c1cccs1)NNC(=O)c1cocn1 729359587 STTGUIIXUIINJK-UHFFFAOYSA-N 294.292 -0.073 50 20 CBGD O=C(O)CSCCC(=O)NNC(=O)Cc1ccccn1 739846854 RVTKZSWYHVFCSA-UHFFFAOYSA-N 297.336 -0.021 50 20 CBGD Cc1ccncc1C(=O)NNC(=O)C(=O)N1CCCC1 742059048 FXJNQLLZBJCJQO-UHFFFAOYSA-N 276.296 -0.227 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1CCSC1 748637165 XHXWCMYWKMHAGA-BDAKNGLRSA-N 291.373 -0.126 50 20 CBGD Cc1nc(C(=O)NNC(=O)CO)nn1-c1ccc(F)cc1 753439099 NAAWZMLTAGNKFV-UHFFFAOYSA-N 293.258 -0.532 50 20 CBGD CCS(=O)(=O)NCC(=O)NNc1ccc(Cl)nn1 764305311 XUYFIOPYQQFUDR-UHFFFAOYSA-N 293.736 -0.488 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](CC)OC 772064509 NPDNIGDGOJLPJZ-SFYZADRCSA-N 260.290 -0.100 50 20 CBGD CN1CCN(C(=O)NNC(=O)CC(F)(F)F)CC1 773660588 ZRBUVZRMBCAINU-UHFFFAOYSA-N 268.239 -0.073 50 20 CBGD CCc1oc(C(=O)OC)cc1S(=O)(=O)NNC(C)=O 775249399 LWEZMPDKTGROFT-UHFFFAOYSA-N 290.297 -0.042 50 20 CBGD CC(C)Oc1ccc(C(=O)NNC(=O)CO)cn1 777781326 NTDNZDUMKLZUQG-UHFFFAOYSA-N 253.258 -0.378 50 20 CBGD O=C(CO)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 777782052 OWPIQEHATOSCTO-UHFFFAOYSA-N 277.280 -0.212 50 20 CBGD Cc1cc2cc[nH]c2cc1NC(=O)C(=O)NNC(=O)CO 782124123 NEWKLGKHEZRWJM-UHFFFAOYSA-N 290.279 -0.445 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)C(=O)NCC2CC2)c1 788504636 PYIHBKQZUKLEMU-UHFFFAOYSA-N 286.291 -0.155 50 20 CBGD CS(=O)(=O)C1(C(=O)NNC(=O)C2CCCC2)CC1 791507557 KFRYBKQRYCCQIL-UHFFFAOYSA-N 274.342 -0.099 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)N2CCOCC2)o1 794253811 FMAUEHVLDLBTEN-UHFFFAOYSA-N 264.241 -0.162 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1c(C)cnn1C 795931600 HWGYIEVWPYRNTE-UHFFFAOYSA-N 275.334 -0.417 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H](C)n2cnc(C#N)n2)n[nH]1 798986511 PSIPJOQZJZYZRK-SSDOTTSWSA-N 288.271 -0.797 50 20 CBGD O=C(CCn1ccnn1)NNC(=O)CC(F)(F)F 801608923 YMDJCHBBUUGXTL-UHFFFAOYSA-N 265.195 -0.232 50 20 CBGD NC(=O)[C@@H]1CC[C@@H](CNC(=O)NNc2ncncc2F)O1 814312792 NFSAVSJOBMFOSH-XPUUQOCRSA-N 298.278 -0.725 50 20 CBGD O=C(O)c1cccc(C(=O)NNC(=O)[C@@H]2COCCO2)c1 821549953 YBZXXXXAZXPCTL-JTQLQIEISA-N 294.263 -0.439 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CCCCS1(=O)=O 823873391 AMPXPRNGLFGOPD-VIFPVBQESA-N 264.347 -0.701 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NN(C)[C@H](C)CO 823938767 ASTLBBRJFOKAHF-GHMZBOCLSA-N 259.350 -0.702 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCO[C@@H]2C[C@@H]21 827268825 SNKIFWTWXXHYPY-AATLWQCWSA-N 269.301 -0.375 50 20 CBGD CC(C)N1CCC[C@H]1C(=O)NNC(=O)CN1CCCC1=O 828344904 UOPUQULXVRYXJR-NSHDSACASA-N 296.371 -0.371 50 20 CBGD O=C(NN[C@@H](C(=O)O)c1ccccc1)[C@H]1COCCO1 833149400 PKKUYYMGDHZPEB-GHMZBOCLSA-N 280.280 -0.152 50 20 CBGD CC[C@H](CS(=O)(=O)NNC(=O)[C@H]1CCO[C@@H]1C)OC 842589738 LABKCIPNOJZUEF-BBBLOLIVSA-N 294.373 -0.213 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=S)NCCCN(C)C 843277834 UQAFPCXJLDHELA-UWVGGRQHSA-N 288.417 -0.142 50 20 CBGD C#CCO[C@H](C)C(=O)NN(C)C(=S)NCCCOC 854284888 AZTYANVRIWTVOO-SNVBAGLBSA-N 287.385 -0.101 50 20 CBGD COc1nccnc1NNC(=O)C[C@H]1CCC(=O)N1C 854953024 REQAMILUBAFHMT-MRVPVSSYSA-N 279.300 -0.061 50 20 CBGD Cc1sc(=O)n(CC(=O)NNC(=O)c2cc[nH]n2)c1C 855359541 WFBLFZGZBLCDTR-UHFFFAOYSA-N 295.324 -0.289 50 20 CBGD O=C(C[C@@H]1CCC(=O)N1)NNC(=O)c1cccc(F)n1 856424546 OWAPKSZYGHYDKL-ZETCQYMHSA-N 280.259 -0.350 50 20 CBGD O=C(NNC(=O)[C@H](O)C1CC1)c1cccc(F)n1 856426658 DDOYSLSOXFECHG-SECBINFHSA-N 253.233 -0.247 50 20 CBGD CC(C)OC(=O)[C@@H](C)CNC(=O)NNC(=O)c1cn[nH]c1 858704043 CHQHMFROXDFKSR-QMMMGPOBSA-N 297.315 -0.059 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)C2=CCCCO2)N1 862457010 YICAOIPZJBUQPK-ZETCQYMHSA-N 253.258 -0.893 50 20 CBGD CSCC1(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 862463779 LSMRTXAROFOUTC-MRVPVSSYSA-N 285.369 -0.054 50 20 CBGD CC[C@](C)(NC(=O)c1ccc(B(O)O)cc1)C(=O)OC 863872664 WRFDYRFUUJEJMN-ZDUSSCGKSA-N 279.101 -0.562 50 20 CBGD O=S1(=O)CC2(CN(S(=O)(=O)CCl)C2)C1 882294030 SFURKWMFPVFFEW-UHFFFAOYSA-N 259.736 -0.757 50 20 CBGD CCc1cc(C(=O)NNC(=O)N2CCN(C)CC2)no1 897535189 BTOSQZCBFNMFOY-UHFFFAOYSA-N 281.316 -0.161 50 20 CBGD O=C1CC[C@@H]2[C@H]1[C@@H]2C(=O)NNC(=O)N1CCOCC1 906449366 BWPLWWNAXJDREQ-SZEHBUNVSA-N 267.285 -0.716 50 20 CBGD CN1C[C@H](C(=O)NNC(=O)NCC2CC2)CC1=O 920858983 IQQAJWSIXSANMS-MRVPVSSYSA-N 254.290 -0.795 50 20 CBGD COC[C@H]1COCCN1CC(=O)NNC(=O)C(C)C 933332339 RYOIBKLHVJWOOJ-JTQLQIEISA-N 273.333 -0.863 50 20 CBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(F)c[nH]1 1117742234 NFCMMQHCOLZUEK-LURJTMIESA-N 289.288 -0.651 50 20 CBGD CCCNC(=O)NNC(=O)Cn1cc([C@@H](C)O)nn1 1253048187 ARDFFYCYVGBTDI-SSDOTTSWSA-N 270.293 -0.928 50 20 CBGD COC(=O)C(=O)NN=Cc1cccn1[C@H](C)C(=O)OC 1319909547 IWOXBJYMPLZMSX-MRVPVSSYSA-N 281.268 -0.155 50 20 CBGD NC(=O)N1CCC[C@@H](C(=O)NNc2cccnn2)C1 1320073217 YTAFGFJXHNGUBG-MRVPVSSYSA-N 264.289 -0.290 50 20 CBGD CCCn1cc(NC(=O)C(=O)NNC(=O)COC)cn1 1320521376 TXASMWMOGFKEPC-UHFFFAOYSA-N 283.288 -0.975 50 20 CBGD COc1ccc(C(=O)NNC(=O)C(=O)NCC2CC2)cc1 1320784149 UEHLCHRPYPPIPI-UHFFFAOYSA-N 291.307 -0.018 50 20 CBGD CN(NC(=O)c1ccc(S(=O)(=O)N(C)C)o1)C(N)=O 1323535254 QBIZIWQFVJADAU-UHFFFAOYSA-N 290.301 -0.815 50 20 CBGD C[C@@H](C[S@](C)=O)NC(=O)NNC(=O)Cc1cccnc1 1325269602 UCVZSOLWZUHXFC-LXGOIASLSA-N 298.368 -0.279 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2nnnn2CC1)C1CC1 1326739090 INWXSJXDCHUVTR-QMMMGPOBSA-N 264.289 -0.817 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCC[C@H]2CCOC2)N1 1331314454 IQWVOBOHPYLZFP-UWVGGRQHSA-N 298.343 -0.588 50 20 CBGD Cc1c(C#N)cccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1335329119 FWQWCHXYHCAXPG-NSHDSACASA-N 286.291 -0.094 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 1342638357 POVXNMAAKOXKNQ-BDAKNGLRSA-N 285.300 -0.553 50 20 CBGD CN1CC[C@@H]1CNC(=O)NNc1ncncc1F 1344374255 LVVXKABDZZQRFL-SSDOTTSWSA-N 254.269 -0.054 50 20 CBGD C[C@@](O)(CNC(=O)NNC(=O)c1cn[nH]c1)c1ccco1 1351351271 CIRYUSCEJDAXGE-GFCCVEGCSA-N 293.283 -0.146 50 20 CBGD C[C@@]1(C(=O)NNC(=O)c2cccc(F)n2)C[C@H](O)CN1 1576350687 RPBVEAARBPPLGR-MADCSZMMSA-N 282.275 -0.905 50 20 CBGD C[C@H]1C[C@H](CCNC(=O)NNC(=O)C(=O)O)C[C@@H](C)O1 1604667189 QMAVJTJVGHSPGC-AYMMMOKOSA-N 287.316 -0.005 50 20 CBGD N#CC(C#N)=CNC1(CC(=O)O)CCS(=O)(=O)CC1 1610619625 ZPUCDWJJBJLWJZ-UHFFFAOYSA-N 283.309 -0.071 50 20 CBGD Cc1noc(C)c1C(=O)NNC(=O)C(=O)NC(C)C 8390953 XLFQOLOPGVQKSH-UHFFFAOYSA-N 268.273 -0.423 50 20 CBGD CCOC(=O)NNC(=O)CNC(=O)COc1ccccc1 21772795 DJNJVBCTWJTHTR-UHFFFAOYSA-N 295.295 -0.041 50 20 CBGD Cc1n[nH]nc1C(=O)NNC(=O)c1ccccc1O 189858291 NPQUVVYQGQODOD-UHFFFAOYSA-N 261.241 -0.106 50 20 CBGD O=C(CN1CSCC1=O)NNC(=O)C1CCC1 264807880 VCAQHWISLFKNAI-UHFFFAOYSA-N 257.315 -0.533 50 20 CBGD COCCOCCNC(=O)NNc1cccnn1 265470484 KBVNBFWBZOZJGV-UHFFFAOYSA-N 255.278 -0.234 50 20 CBGD CCOC(=O)N1CCC[C@H](C(=O)NN(C)C(N)=O)C1 271292888 MJHUWALEZDOQDL-QMMMGPOBSA-N 272.305 -0.103 50 20 CBGD NC(=O)COc1ccccc1C(=O)NNC(=O)C1CC1 271943836 MUPRDZCDPKJTOD-UHFFFAOYSA-N 277.280 -0.278 50 20 CBGD CN(CC(=O)Nc1cccc(B(O)O)c1)[C@@H]1CCSC1 584910428 BNKQUKKYBVCGAD-GFCCVEGCSA-N 294.185 -0.258 50 20 CBGD C[C@@H]1CN(C)C[C@H]1NC(=O)c1cccc(B(O)O)c1 584958956 WFAKJQBAEISQRC-BXKDBHETSA-N 262.118 -0.954 50 20 CBGD OC[C@H]1CCCN1CCCCNCc1ccc(B(O)O)o1 585024010 RVRQVTOPGQVDGO-GFCCVEGCSA-N 296.176 -0.714 50 20 CBGD CC(C)(C)N1CC[C@H](NCc2ccc(B(O)O)cc2)C1=O 585048326 ODNQGXUDEJRJMA-ZDUSSCGKSA-N 290.172 -0.145 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=S)NC(C)(C)C 728450365 WQNFTOVSENYUMF-LURJTMIESA-N 296.418 -0.782 50 20 CBGD COCCOCC(=O)NNC(=O)c1c[nH]nc1C 733152125 HVLXEAFFZJYOPP-UHFFFAOYSA-N 256.262 -0.858 50 20 CBGD CN(CC1CC1)S(=O)(=O)NNC(=O)c1cnn(C)c1 737757939 ZNGGRUXNXMNELM-UHFFFAOYSA-N 287.345 -0.759 50 20 CBGD CCOCC(=O)NNC(=O)NCCn1cnnc1CC 745912149 PJPZVTDDOGADDG-UHFFFAOYSA-N 284.320 -0.793 50 20 CBGD Cn1nncc1C=NNC(=O)CNC(=O)c1cccs1 751134463 XYFGPVHCBDSPAK-UHFFFAOYSA-N 292.324 -0.243 50 20 CBGD Cc1[nH]nc(C(=O)NNC(=O)CO)c1Br 753444654 ACCTYXYJEREDKO-UHFFFAOYSA-N 277.078 -0.766 50 20 CBGD O=C1C[C@@H](C(=O)NNC(=O)NC2CCCC2)CCN1 760469261 FRIPKAPEIPPWHR-QMMMGPOBSA-N 268.317 -0.214 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNc1ncc(F)cn1 762093062 GAYZECMHMHQMTN-YFKPBYRVSA-N 257.225 -0.197 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCO[C@@H]1C 772234215 HFMKYXVLSMTBRD-VGMNWLOBSA-N 272.301 -0.100 50 20 CBGD COC(=O)Cn1cc(C(C)=NNC(=O)c2ccc[nH]2)nn1 772842679 ZOEGESHSOJLWKE-UHFFFAOYSA-N 290.283 -0.067 50 20 CBGD C=CCNC(=O)CNC(=O)NNC(=O)CC(C)C 776964475 ARTXADJISFYBRL-UHFFFAOYSA-N 256.306 -0.335 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1c[nH]c(C#N)c1 778710387 ACSRLGNOQUBDAS-UHFFFAOYSA-N 258.241 -0.007 50 20 CBGD N#Cc1ccc(C[C@H](C#N)C(=O)NNC(=O)CO)cc1 792657557 HCCVTBQGZNGZPJ-LLVKDONJSA-N 272.264 -0.620 50 20 CBGD Cc1cccc(C(=O)NNC(=O)C2(C(N)=O)CCC2)n1 794089832 KWDKNLNQODEXPR-UHFFFAOYSA-N 276.296 -0.193 50 20 CBGD O=C(CC1OCCO1)NNC(=O)NCC(F)(F)F 798315239 CRBQGWBEKDVRFP-UHFFFAOYSA-N 271.195 -0.358 50 20 CBGD Cn1ccnc(NNC(=O)CSCC(=O)O)c1=O 819072144 HLBCKLKNVCQZFJ-UHFFFAOYSA-N 272.286 -0.959 50 20 CBGD C[C@@H](CO)N(C)NC(=O)/C(C#N)=C\c1cnn(C)c1 823917043 DDNGBNPYLUORBZ-SYUPGTOSSA-N 263.301 -0.329 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CC(c2cccnc2)=NO1 823927889 IKGFHJGVZKIJAT-CABZTGNLSA-N 278.312 -0.082 50 20 CBGD CCOc1cnc(C(=O)NN(C)[C@@H](C)CO)cn1 823934108 BXSOFOLVXRGRGC-QMMMGPOBSA-N 254.290 -0.167 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN[C@]1(C(=O)O)CCOC1 833422154 XBHAPZTXPHFLPK-GFCCVEGCSA-N 287.316 -0.987 50 20 CBGD CN(C)c1cnc(C(=O)NNC(=O)[C@@H]2CCCCO2)cn1 833779512 TYMQPFDLCYHDKQ-JTQLQIEISA-N 293.327 -0.127 50 20 CBGD CCCN1C[C@H](C(=O)NN(C)C(=O)NCC)CC1=O 839716408 BNYOCSWTCWDWPA-SECBINFHSA-N 270.333 -0.063 50 20 CBGD C[C@@H](CC(N)=O)C(=O)NNC(=O)c1cccc(F)n1 856427051 NBKYXBCIVZRLAY-LURJTMIESA-N 268.248 -0.507 50 20 CBGD COC(=O)COCCNC(=O)NNC(=O)C(C)(C)C 858206833 UDFZJMXTLWFNJV-UHFFFAOYSA-N 275.305 -0.448 50 20 CBGD CS[C@H](C)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858313986 UHWGYALKLZWWPV-RNFRBKRXSA-N 274.346 -0.653 50 20 CBGD CO[C@H](C1CC1)[C@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858522014 VNQAAXJGRVAIMW-ARENWVFISA-N 298.343 -0.591 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cc(O)ncn1 861576268 CIAWMKDEGNZJGI-UHFFFAOYSA-N 298.299 -0.268 50 20 CBGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)c2cn[nH]c2)c1C 862472290 JNKIUFYVQFQDAR-UHFFFAOYSA-N 290.283 -0.805 50 20 CBGD CC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cn[nH]c2)C1 862473070 CWZHPCDGHOZKRS-SECBINFHSA-N 279.300 -0.571 50 20 CBGD O=C(CCCn1cccn1)NNC(=O)c1cn[nH]c1 862474846 QSDVFVGLTGCMRQ-UHFFFAOYSA-N 262.273 -0.152 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CCn1cccc1 863462560 GQTSSHYXHRZSHP-UHFFFAOYSA-N 273.314 -0.930 50 20 CBGD CC(C)c1cc(C(=O)NNC(=O)CS(C)(=O)=O)on1 863463167 DOZXRNZEMXHTOA-UHFFFAOYSA-N 289.313 -0.396 50 20 CBGD CC(C)OC(=O)[C@H](C)NCc1ccccc1B(O)O 863890139 NDNNDZUNDRQMNJ-JTQLQIEISA-N 265.118 -0.204 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H]1CCCNC1=O 865014830 OLPSCYMRKJYJNV-QMMMGPOBSA-N 256.306 -0.357 50 20 CBGD COC(=O)N(C)NC(=O)NCCc1ccn(C)n1 875492795 QTPFKESUKAVOPW-UHFFFAOYSA-N 255.278 -0.125 50 20 CBGD CC[C@H](C(=O)NNC(=O)C1CCOCC1)N(C)C 883065569 OUPZJSKYPMPWRT-SNVBAGLBSA-N 257.334 -0.099 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc([C@H]2CCCN2C)[nH]n1 896128133 GVTFZGPCTCLEPX-LLVKDONJSA-N 294.359 -0.501 50 20 CBGD CN1C[C@@H](O)C[C@@]1(C)C(=O)NNC(=O)OC(C)(C)C 899926637 VWBFNIGJACIHMH-UFBFGSQYSA-N 273.333 -0.003 50 20 CBGD O=C(Cc1ccc(F)cn1)NNC(=O)N1CCOCC1 900427016 QOHASQDZPJRUGE-UHFFFAOYSA-N 282.275 -0.164 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCc2nccn2C1 910146101 XUZQHSFSGUHHFQ-NXEZZACHSA-N 252.318 -0.211 50 20 CBGD Cc1nc(SCCC(=O)NN(C)C[C@@H](C)O)n[nH]1 910164660 XKVYHNRYJXXZHC-SSDOTTSWSA-N 273.362 -0.061 50 20 CBGD CCC(=O)N[C@H](CCSC)C(=O)NN(C)C[C@H](C)O 910170670 PEFOHZFIJRGLGJ-VHSXEESVSA-N 291.417 -0.022 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccc2c(c1)NC(=O)CO2 910179488 WVXKGULMHNUUAI-MRVPVSSYSA-N 279.296 -0.025 50 20 CBGD C=CC(=O)N(CC)CC(=O)NNC(=O)[C@H]1CCO[C@H]1C 911502461 HIBZCQVJHKDAPM-UWVGGRQHSA-N 283.328 -0.407 50 20 CBGD O=C(CNC(=O)c1ccncc1)NNC(=O)c1ccc[nH]1 914831717 OXSNGYZMUJHQOM-UHFFFAOYSA-N 287.279 -0.399 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 921039761 YVQWZRAMDMZKBY-MRVPVSSYSA-N 268.317 -0.262 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)[C@@H]1CSCC(=O)N1 929187407 SVAVVJNATWYKEH-LURJTMIESA-N 275.330 -0.226 50 20 CBGD N#C[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 932152132 PGRHKCYKRRIKPO-VIFPVBQESA-N 250.302 -0.221 50 20 CBGD O=C1NCC[C@@H]1C(=O)NNc1nc2ccccn2n1 1118749110 NGTHSIHMKZYGSW-ZETCQYMHSA-N 260.257 -0.692 50 20 CBGD COc1ccnc(NNC(=O)C(=O)NC2CC2)n1 1318513585 IEBYJOIFQSLTER-UHFFFAOYSA-N 251.246 -0.793 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCCS(C)(=O)=O 1319557340 IZSNBCTYMBAVQJ-CMDGGOBGSA-N 260.315 -0.019 50 20 CBGD C[C@]1(NNC(=O)N[C@H]2CCOC2)CCS(=O)(=O)C1 1319658532 VOYLCVHTSOQXDK-WPRPVWTQSA-N 277.346 -0.844 50 20 CBGD CC(C)(F)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1319800556 IKEZBMAGVGACSQ-LURJTMIESA-N 266.294 -0.683 50 20 CBGD COc1cc(C(=O)NNC(=O)c2cnn(C)c2)nn1C 1320709451 XETRFQUCXOTPKP-UHFFFAOYSA-N 278.272 -0.763 50 20 CBGD Cc1ccncc1NC(=O)C(=O)NNC(=O)C1CC1 1321141208 ZGPOJXNUORGNQR-UHFFFAOYSA-N 262.269 -0.114 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cccc2c1OCO2 1321141225 ZZLZHUUTHAEXIA-UHFFFAOYSA-N 265.225 -0.479 50 20 CBGD CC(C)(C)OC(=O)C(=O)NNc1ccc(C(N)=O)nn1 1321164102 VKSAWYKSHZTIBN-UHFFFAOYSA-N 281.272 -0.640 50 20 CBGD O=C(C[C@@H]1CCOC1)NNC(=O)C(=O)N1CCCC1 1323086294 XEIKPHHZTAWQMK-VIFPVBQESA-N 269.301 -0.817 50 20 CBGD COC(=O)NNC(=O)c1coc(S(=O)(=O)N(C)C)c1 1323970744 FAJGLKIZXWHDBE-UHFFFAOYSA-N 291.285 -0.469 50 20 CBGD COCn1ccc(C(=O)NNC(=O)NCC(F)(F)F)n1 1328369912 VHIMWDDJPDJXPI-UHFFFAOYSA-N 295.221 -0.007 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCS1(=O)=O 1332870209 SODXPJWBMWMPNR-CIUDSAMLSA-N 290.341 -0.864 50 20 CBGD CCCS(=O)(=O)CC(=O)NNC(=O)N(C)C 1337966872 IWBVVIVXRDKONI-UHFFFAOYSA-N 251.308 -0.886 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCO[C@@H](C2CC2)C1 1342638359 POVXNMAAKOXKNQ-DTWKUNHWSA-N 285.300 -0.553 50 20 CBGD CC(C)C(=O)NNC(=O)Cc1csc(CN)n1 1575397718 FLVTULZZZYDRGT-UHFFFAOYSA-N 256.331 -0.052 50 20 CBGD CCCNC(=O)NNC(=O)c1cc2n(n1)C[C@@H](C)NC2 1577545070 JRWKNHGZEBMQCO-MRVPVSSYSA-N 280.332 -0.271 50 20 CBGD CCNC(=O)N(C)NC(=O)C1=NO[C@]2(CCNC2)C1 1577793660 RJHMNILTPSUUCG-LLVKDONJSA-N 269.305 -0.813 50 20 CBGD CCNCCNC(=O)NNC(=O)c1cccnn1 1577850105 YOXPGUAHRVSHCD-UHFFFAOYSA-N 252.278 -0.970 50 20 CBGD CC(C)(CC(=O)O)CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1590635112 NEWJJWYLVCBQRT-ZETCQYMHSA-N 285.300 -0.697 50 20 CBGD Cc1cc(-c2nn[nH]n2)cnc1C(=O)NN(C)C(N)=O 1591875822 OIGYGZIWFJHVAA-UHFFFAOYSA-N 276.260 -0.775 50 20 CBGD O=C1CC[C@H](C(=O)NN=Cc2cc(C(=O)O)co2)N1 1602638297 NSMQWXKDRLZXOE-MRVPVSSYSA-N 265.225 -0.294 50 20 CBGD CS(=O)(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1605359288 NBMVQBGSRRWROK-UHFFFAOYSA-N 282.285 -0.939 50 20 CBGD CCN(C)S(=O)(=O)NNC(=O)Cc1cccnc1 81201095 PUPNYFASHBLNJL-UHFFFAOYSA-N 272.330 -0.559 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccccc1[N+](=O)[O-] 170756854 LGWHAIHDCXDTLJ-UHFFFAOYSA-N 266.257 -0.083 50 20 CBGD COc1cc(C)nc(NNC(=O)NCCNC(C)=O)n1 266983946 TZDZSXAZCGWHIG-UHFFFAOYSA-N 282.304 -0.444 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2COCCN2)n1 269210306 GTEHLXBEAWIMFV-QMMMGPOBSA-N 267.289 -0.775 50 20 CBGD CCc1cccnc1C(=O)NNC(=O)CN(C)C 271143363 SSKSFDWMFGKSHF-UHFFFAOYSA-N 250.302 -0.033 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@]2(C)CCCOC2)cn1 272994080 QXMUABCQFCKKAV-GFCCVEGCSA-N 266.301 -0.002 50 20 CBGD COc1ccc(NNC(=O)NCC(=O)N(C)C)nc1 276045524 YBZVGRUWKFNIIE-UHFFFAOYSA-N 267.289 -0.196 50 20 CBGD O=C(NCC(=O)N1CCOCC1)NNc1cccc(F)n1 286653606 FWQBGGPDKZAMDW-UHFFFAOYSA-N 297.290 -0.294 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)[C@H](C)CC(N)=O 292611343 INPYLTQOCWEGKX-SECBINFHSA-N 293.323 -0.103 50 20 CBGD CC(=O)NNC(=O)C[C@@H]1Oc2ccccc2NC1=O 298697637 NZOXTTKOGJPCEP-JTQLQIEISA-N 263.253 -0.057 50 20 CBGD C[C@H](C#N)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 494639876 HCRNGTGIMCPSJW-SSDOTTSWSA-N 270.289 -0.182 50 20 CBGD CC[C@@](C)(O)CNC(=O)c1cccc(B(O)O)c1 584953274 AOJUHLQAZAVFER-GFCCVEGCSA-N 251.091 -0.743 50 20 CBGD C=C(C)COCCNC(=O)c1cc(B(O)O)ccc1F 584960041 NYKYBSFMHGTZGH-UHFFFAOYSA-N 281.092 -0.172 50 20 CBGD C[C@H]1COCCN(C(=O)c2ccc(B(O)O)cc2)C1 584966529 CLRIWLRWWLWLQB-SNVBAGLBSA-N 263.102 -0.525 50 20 CBGD O=C(NC[C@H](CO)C1CCC1)c1ccc(B(O)O)c(F)c1 584988958 WIVVNJVZIDMWJN-LLVKDONJSA-N 295.119 -0.356 50 20 CBGD COCCc1ccc(S(=O)(=O)NCB(O)O)cc1 585053553 AEEXJOPMGHLFBD-UHFFFAOYSA-N 273.119 -0.834 50 20 CBGD CCc1ccc(S(=O)(=O)NCB(O)O)cc1[N+](=O)[O-] 585056766 ASTKEASRZYOPKI-UHFFFAOYSA-N 288.090 -0.553 50 20 CBGD O=C(NCB(O)O)c1ccnn1CCc1ccccc1 585062923 PVCDUQQNOPKYLS-UHFFFAOYSA-N 273.101 -0.132 50 20 CBGD CN1CC[C@H]1CNS(=O)(=O)CBr 710284149 AFRWXEPKIHOISL-LURJTMIESA-N 257.153 -0.038 50 20 CBGD CC[C@@H](C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729275040 JUAAGAFKZIMPRM-RNFRBKRXSA-N 265.335 -0.882 50 20 CBGD CCCCNC(=O)NNC(=O)C1(C(=O)NC)CC1 729969439 ZPLIMWRUHUGYGV-UHFFFAOYSA-N 256.306 -0.357 50 20 CBGD Cc1cc(NNC(=O)CN2CCN(C)CC2)ncn1 734254093 JDIFUBBIZRYOBY-UHFFFAOYSA-N 264.333 -0.524 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@@H]1CCN(C)C(=O)C1 745139775 UFQHPBAOQULNPZ-MRVPVSSYSA-N 256.306 -0.406 50 20 CBGD O=C(CO)NNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 753442585 JBCOFDMGZVIHPZ-UHFFFAOYSA-N 292.251 -0.311 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc2cccnn12 768246094 WNSAFYKQBIVMFN-UHFFFAOYSA-N 262.269 -0.134 50 20 CBGD O=C(Cn1nccc1[N+](=O)[O-])NNC(=O)C1CC1 769658878 AUVWVCGGPYOZGH-UHFFFAOYSA-N 253.218 -0.651 50 20 CBGD CCO[C@H](C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC 772010858 PLEKPFSKOSXTCM-JGVFFNPUSA-N 260.290 -0.100 50 20 CBGD CC(C)CCn1cc(C(=O)NN(C)C(N)=O)nn1 778411711 GNZOPZJTNRRPBS-UHFFFAOYSA-N 254.294 -0.021 50 20 CBGD NC(=O)NC1(C(=O)NNc2ncncc2Cl)CC1 781815297 UANCIGQIPXJYEE-UHFFFAOYSA-N 270.680 -0.226 50 20 CBGD NC(=O)C(=O)NN=C1CCO[C@@H](C(F)(F)F)C1 814696045 YRHRQMUKNGOKAT-RXMQYKEDSA-N 253.180 -0.315 50 20 CBGD CCn1nncc1C(=O)NNC(=O)N=c1cc[nH]cc1 816596068 NFMNXJANYGLTRC-UHFFFAOYSA-N 275.272 -0.419 50 20 CBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)c1ccccn1 816808485 PGHXNVLYJQFRMD-SFYZADRCSA-N 262.269 -0.646 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)[C@@H](C)C(=O)O 817858582 JPESNFNAFSRVPR-IUCAKERBSA-N 273.333 -0.027 50 20 CBGD CCN(CCO)NC(=O)c1cnc(N(C)C)cn1 823869243 FEOXRVLSFXIZHO-UHFFFAOYSA-N 253.306 -0.498 50 20 CBGD CCN(CCO)NC(=O)[C@@H](C)n1nnnc1C(C)(C)C 823873531 CPCXPXOGJTYMNC-SECBINFHSA-N 284.364 -0.123 50 20 CBGD CCN(CCO)NC(=O)/C=C\CN1CCOCC1 823885153 YFLRDAFZGCFAMV-ARJAWSKDSA-N 257.334 -0.780 50 20 CBGD CCN(CCO)NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 823889341 RXCRNFOLPDCGAF-PHIMTYICSA-N 295.339 -0.717 50 20 CBGD CCOC(=O)[C@H](CC(=O)NN(C)[C@H](C)CO)C(C)=O 823921881 DMXLAZWPAXPXRI-PSASIEDQSA-N 274.317 -0.511 50 20 CBGD COc1cccc(NNC(=O)[C@@H]2OCCN(C)C2=O)n1 824801382 RBJMLBHJEZAZCW-JTQLQIEISA-N 280.284 -0.610 50 20 CBGD N#CCCN1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 827479699 SZFGLQUIQKJSTQ-UHFFFAOYSA-N 287.128 -0.962 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@@](O)(CC#N)C1 829992198 TXDVDOHPODOORY-ZDUSSCGKSA-N 282.344 -0.470 50 20 CBGD Cc1nn(CC(=O)NNc2ncc(F)cc2F)c(=O)n1C 848212212 AUCVEAMXBSPQJM-UHFFFAOYSA-N 298.253 -0.293 50 20 CBGD COC(=O)CCCNC(=S)NNC(=O)c1cc[nH]n1 849276190 BFBQUZMVRWVYCN-UHFFFAOYSA-N 285.329 -0.528 50 20 CBGD O=C(NN=C1CCCn2nccc21)C(=O)NC1CC1 853282804 RLUQHJQXMHBFRN-UHFFFAOYSA-N 261.285 -0.224 50 20 CBGD C=C[C@@H](O)C(=O)NN(C)C(=S)NCCCOC 854285854 QSRVDOOFJONERZ-MRVPVSSYSA-N 261.347 -0.593 50 20 CBGD CN(NC(=O)c1cc(C(=O)NN(C)C2CC2)[nH]n1)C1CC1 854983958 YZACCSZZMNZPGI-UHFFFAOYSA-N 292.343 -0.112 50 20 CBGD COCCCOCCC(=O)NNC(=O)c1cc[nH]n1 855355151 QJQJCKLJPJNXAU-UHFFFAOYSA-N 270.289 -0.386 50 20 CBGD CCO[C@H](C(=O)NNC(=O)c1cc[nH]n1)C1CC1 862167936 HFQQFUGJVHKZAE-VIFPVBQESA-N 252.274 -0.014 50 20 CBGD O=C1CC[C@@H](C(=O)NN=C2COc3cc(O)ccc32)N1 863145882 QSPWGNFKGTXNTO-VIFPVBQESA-N 275.264 -0.117 50 20 CBGD CCC1(C(=O)NNC(=O)Cc2cc(C)[nH]n2)COC1 869014205 PNJIRIKMHANPFT-UHFFFAOYSA-N 266.301 -0.165 50 20 CBGD CCO/C=C(\C#N)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 871528411 KRXIIUNDBQOGCU-JKEVLIGASA-N 277.280 -0.496 50 20 CBGD CN(CCNC(=O)NNC(=O)C1CCOCC1)C1CC1 883399495 OSBQOKLRVYLRCR-UHFFFAOYSA-N 284.360 -0.162 50 20 CBGD CC[C@@H](O)[C@H](C)C(=O)NNC(=O)N1CCOCC1 900426742 KPJSREJFNOBPND-DTWKUNHWSA-N 259.306 -0.534 50 20 CBGD C[C@H](CO)N(C)NC(=O)CNC(=O)N1CCCC1 911447263 KYIXVVASTPXGJT-SECBINFHSA-N 258.322 -0.864 50 20 CBGD Cn1cc(C=NNC(=O)NCC2CC2)c(=O)n(C)c1=O 920828377 GPXBALSDSOQUCV-UHFFFAOYSA-N 279.300 -0.873 50 20 CBGD CCc1c(C(=O)NNC(=O)NCCCOC)cnn1C 920862721 YTGAPHMLQKEVLC-UHFFFAOYSA-N 283.332 -0.037 50 20 CBGD Cc1nnc(NNC(=O)[C@H](C)OC[C@@H]2CCCO2)nc1O 921074633 VEJLRLKPIVPCJN-IUCAKERBSA-N 297.315 -0.087 50 20 CBGD CSCCNC(=S)NNC(=O)[C@H]1CCC(=O)N1C 935196218 GSPNNRXSHYPQRL-SSDOTTSWSA-N 290.414 -0.535 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)Sc1nnnn1CC 1251911012 LVLLBUWLSWQCAR-LURJTMIESA-N 272.334 -0.269 50 20 CBGD CC(C)C(=O)NNC(=O)[C@H](C)CS(C)(=O)=O 1252446713 ACTXATNWDVWEOR-SSDOTTSWSA-N 250.320 -0.530 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)NCc1cc[nH]n1 1252747025 CTQFLWRQURCCDR-UHFFFAOYSA-N 274.284 -0.122 50 20 CBGD CC(C)NC(=S)NNC(=O)CSCC(N)=O 1318589532 HXEPQTQFKFTXBC-UHFFFAOYSA-N 264.376 -0.891 50 20 CBGD COC(=O)C(=O)NNC(=O)Nc1nc(C)c(C)o1 1318891901 SIIKBNYASBQOGE-UHFFFAOYSA-N 256.218 -0.383 50 20 CBGD O=C(NCc1nnc2n1CCC2)NNc1cccnn1 1318975518 VWCKMHUADVKAFC-UHFFFAOYSA-N 274.288 -0.159 50 20 CBGD COC(=O)C(=O)NN=Cc1ccc(C(=O)OC)[nH]1 1319047321 VEDIBEYWTLLYHM-UHFFFAOYSA-N 253.214 -0.576 50 20 CBGD NC(=O)c1ccc(NNC(=O)CC2OCCCO2)nn1 1321426619 LLGGPKHNLDXYPS-UHFFFAOYSA-N 281.272 -0.828 50 20 CBGD O=C(NN=Cc1cscn1)N[C@@H]1CCS(=O)(=O)C1 1321993555 RWWWISUKXIRPAK-SSDOTTSWSA-N 288.354 -0.037 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC(C(N)=O)CC1 1326026865 KTWRSBHKJDYODJ-PSASIEDQSA-N 298.343 -0.651 50 20 CBGD O=C(CCn1cncn1)NNc1ncncc1F 1326367771 UBIKPEMUCCZXQH-UHFFFAOYSA-N 251.225 -0.259 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCc2ccco2)nn1 1326945328 YHVPMCKRXXUQKT-UHFFFAOYSA-N 264.245 -0.448 50 20 CBGD C=CCNC(=S)NNC(=O)c1ccoc1CC(N)=O 1327842543 JXPSDJKWJJSWSZ-UHFFFAOYSA-N 282.325 -0.398 50 20 CBGD C[C@@H](NNC(=O)CSCC(N)=O)C(F)(F)F 1329156730 JIBWYXGHYRAGGX-SCSAIBSYSA-N 259.253 -0.224 50 20 CBGD O=C(Cc1cc[nH]n1)NN=Cc1cnc2n1CCOC2 1332035051 SMOGIDQKDNDRPD-UHFFFAOYSA-N 274.284 -0.171 50 20 CBGD CC(F)(F)CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1334933472 ILBFPAMZPGPBKU-ZCFIWIBFSA-N 278.259 -0.359 50 20 CBGD COC(=O)C(=O)NN=Cc1cnc(C2OCCO2)s1 1339079054 ICYNNOUCJGYPOG-UHFFFAOYSA-N 285.281 -0.188 50 20 CBGD CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1cnn(C)n1 1549313124 GVRRMDPEEASRTH-JQWIXIFHSA-N 292.343 -0.482 50 20 CBGD COc1ccnc(NNC(=O)[C@H]2C[C@@H](F)CN2)n1 1574052256 JMCQKQBWYRLGAC-RNFRBKRXSA-N 255.253 -0.372 50 20 CBGD CC(C)N1CCC[C@@H](C(=O)NNC(=O)CCCN)C1 1575700579 RMAWRGUVPLEDLP-LLVKDONJSA-N 270.377 -0.007 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cc2n(n1)CCC[C@@H]2N 1576037976 SKOFWUGRRAWUFC-BDAKNGLRSA-N 267.333 -0.366 50 20 CBGD NC[C@H](O)C(=O)NNc1cc(Br)ncn1 1580328879 QTMDYQSZNMJJPB-BYPYZUCNSA-N 276.094 -0.998 50 20 CBGD CCCN(CC(=O)O)C(=O)c1ccc(B(O)O)cc1 1589666146 PKZVMOQTKUKFGD-UHFFFAOYSA-N 265.074 -0.697 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1590000712 PPVOPKXHMHADDI-LURJTMIESA-N 265.277 -0.848 50 20 CBGD C[C@H]1C[C@H](NC(=O)NNC(=O)C(=O)O)c2nccn21 1594255903 SJCHJVLFXOXLHA-WDSKDSINSA-N 267.245 -0.696 50 20 CBGD Cn1nc(C(=O)O)cc1C(=O)NNc1ncncc1F 1594567706 DKFSYPVDZITDBX-UHFFFAOYSA-N 280.219 -0.196 50 20 CBGD CC[C@H](C(=O)O)C(=O)NNc1cc(C)nc(N)n1 1594755377 IFLBKHSAKJWUPV-LURJTMIESA-N 253.262 -0.079 50 20 CBGD O=C(O)c1cnc(C(=O)NNC(=O)c2ccc[nH]2)cn1 1595266339 ISJTXGARLMTZRH-UHFFFAOYSA-N 275.224 -0.422 50 20 CBGD CN1CCN(c2ccc(C=NNC(=O)C(=O)O)cc2)CC1 1598622366 FUTFRKNPZNEPIF-UHFFFAOYSA-N 290.323 -0.027 50 20 CBGD COC(=O)CNC(=O)NN=C1CC(CC(=O)O)C1 1598864444 JVYHHBDRXUDALZ-UHFFFAOYSA-N 257.246 -0.301 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)Cn1cc(C(=O)O)cn1 1600675210 PAZKJCYQJVRIEA-UHFFFAOYSA-N 292.255 -0.926 50 20 CBGD CCOC(=O)NNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1 1605551828 QNDURYGXYVJKEC-FSDSQADBSA-N 260.246 -0.358 50 20 CBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)o1)c1cc[nH]n1 1606853971 LTWVADROHDDLFL-UHFFFAOYSA-N 288.227 -0.742 50 20 CBGD COCC(=O)NNC(=O)CNc1ccc(OC)cc1 57390242 WSTROBGUDBHHPJ-UHFFFAOYSA-N 267.285 -0.099 50 20 CBGD CC(C)n1nccc1C(=O)NNC(=O)CN(C)C 120053235 LGDKSVKCKDAOPQ-UHFFFAOYSA-N 253.306 -0.213 50 20 CBGD COc1ccc(C(F)(F)C(=O)NNC(=O)CO)cc1 182746050 WDYMHQREDOLEDM-UHFFFAOYSA-N 274.223 -0.073 50 20 CBGD Cc1nc(C(=O)NNC(=O)[C@H]2COCCO2)ccc1C#N 266739380 ZBCHMZMUUUKUOW-LLVKDONJSA-N 290.279 -0.562 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)N1CCC[C@H](C)C1 278447389 QHHIJLUAFIFTOL-VIFPVBQESA-N 270.333 -0.063 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@]1(O)CCc2ccccc2C1 376010969 FKYIYQOYMCBKPN-HNNXBMFYSA-N 292.335 -0.175 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCc2ncncc2C1 584913066 ZDKVBJVQOMWZAV-SNVBAGLBSA-N 297.123 -0.100 50 20 CBGD CC(C)(CO)C(C)(C)NC(=O)c1cccc(B(O)O)c1 584972300 SSVNUKAVARERMC-UHFFFAOYSA-N 279.145 -0.107 50 20 CBGD CC1(C)CN(C(=O)c2cc(B(O)O)ccc2F)C[C@@H]1O 584982969 LMDAYZQHEYBOPL-NSHDSACASA-N 281.092 -0.652 50 20 CBGD CC(C)c1n[nH]c(CNC(=O)c2cccc(B(O)O)c2)n1 584994524 ASCMVLFEFFTVIO-UHFFFAOYSA-N 288.116 -0.462 50 20 CBGD O=C(NC[C@H]1CC1(F)F)c1cc(B(O)O)ccc1F 585001486 XUFJSJTUPIGVAQ-ZCFIWIBFSA-N 273.019 -0.110 50 20 CBGD O=C1CCCN1CCCNCc1ccc(B(O)O)cc1F 585014564 VWMQJFDLLQZSQJ-UHFFFAOYSA-N 294.135 -0.392 50 20 CBGD CS(=O)(=O)CCCCCNCc1ccccc1B(O)O 585037337 ZIPBKUKENCZBMA-UHFFFAOYSA-N 299.201 -0.329 50 20 CBGD C[C@@H](Cc1cnn(C)c1)NCc1ccccc1B(O)O 585044302 FBBRAPPPTJORJB-NSHDSACASA-N 273.145 -0.179 50 20 CBGD NC(=O)CCCc1nc(-c2ccc(B(O)O)cc2)no1 585051442 GODYAXLIXLTBTC-UHFFFAOYSA-N 275.073 -0.776 50 20 CBGD Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](B(O)O)C1 585060985 NCVRDAQTELNGKS-VIFPVBQESA-N 287.150 -0.726 50 20 CBGD NC(=O)CNC(=S)NNC(=O)CNc1ccccc1F 727064340 BXURJBRUAKVYRI-UHFFFAOYSA-N 299.331 -0.782 50 20 CBGD CCn1cc(S(=O)(=O)NNC(=O)c2cccn2C)cn1 727353102 OJBAWYXAJILGAH-UHFFFAOYSA-N 297.340 -0.135 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cccc(C#N)c1 728435045 UIESJXHLBGSPRW-SECBINFHSA-N 294.336 -0.054 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 733142678 QCTRYXNVTWHPAF-LBPRGKRZSA-N 294.307 -0.200 50 20 CBGD CC(=O)N[C@H](C(=O)NNC(=O)c1cnn(C)c1)C(C)C 735450042 SCOGLLFFOPZKEW-JTQLQIEISA-N 281.316 -0.658 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1CCCCN1C 737819765 XNQKWZWAWJEXMH-JTQLQIEISA-N 272.349 -0.162 50 20 CBGD CC(C)C(=O)NNC(=O)NCc1cnc(N(C)C)n1C 751808018 ZJACDEAFGPBDMO-UHFFFAOYSA-N 282.348 -0.028 50 20 CBGD CC#CCCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 776206554 UJDGMRHFKSYYGP-LLVKDONJSA-N 273.358 -0.219 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cn(C)nc1C 779821053 LWTKHXXXCNSHSS-UHFFFAOYSA-N 253.262 -0.465 50 20 CBGD Cc1cccnc1NNC(=O)Cn1cnc(C#N)n1 791223203 YEUOVOKTQSQVPE-UHFFFAOYSA-N 257.257 -0.004 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 823846968 PVBCPTQKTOSWBD-YUMQZZPRSA-N 297.277 -0.211 50 20 CBGD Cc1nn(C)c(-n2cccn2)c1C(=O)NN(C)[C@H](C)CO 823935894 YAGJTBUNKKMHAF-SECBINFHSA-N 292.343 -0.128 50 20 CBGD C[C@@]1(C(=O)NNC(=O)NCCCC(=O)O)CCCO1 831057933 TWAVKQCXHOEIAN-NSHDSACASA-N 273.289 -0.249 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H](CC(C)C)C(N)=O 840236991 BEUHSMDRFYHGLU-QMMMGPOBSA-N 272.374 -0.185 50 20 CBGD COC(=O)C1(C(=O)NNc2nccnc2OC)CC1 840572034 OASKNFHVBBWGLV-UHFFFAOYSA-N 266.257 -0.119 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CO[C@H](C)C1 842528096 OMXHHPAFZMJNKJ-RQJHMYQMSA-N 263.319 -0.795 50 20 CBGD COC(=O)NC(C)(C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843650222 ABHWHBPRFMYKCU-JGVFFNPUSA-N 287.316 -0.307 50 20 CBGD C=C[C@](C)(O)CC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843970019 AVGJFOVIGIEBPY-AUTRQRHGSA-N 256.302 -0.114 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)N1CCC[C@@H](C)C1 843973660 ZAENRLLFGWSQGH-VWYCJHECSA-N 297.355 -0.183 50 20 CBGD CCCNC(=O)CCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843975731 TVXRMLPDXCYYNT-NXEZZACHSA-N 285.344 -0.135 50 20 CBGD O=C(NCC(Cl)Cl)[C@H]1CCS(=O)(=O)N1 846147388 UNVYAOWWIAIFPX-SCSAIBSYSA-N 261.130 -0.402 50 20 CBGD Cc1cccc(C(=O)NNC(=O)N[C@H]2CCNC2)n1 851670149 DZIKXGUHKBWOFU-VIFPVBQESA-N 263.301 -0.304 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)CC(F)(F)F 854997440 JOPBBJPOLJYMCF-YFKPBYRVSA-N 258.196 -0.252 50 20 CBGD COc1nccnc1NNC(=O)C1(CO)CCOCC1 857540215 ZGSKPKIKJVZEGT-UHFFFAOYSA-N 282.300 -0.283 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC[C@@H]3C[C@@H]3C2)N1 858703480 YCBCIBPGXLLSSM-IWSPIJDZSA-N 266.301 -0.652 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CC2(Cl)Cl)N1 862450725 ZXSILKQJDVUGGG-RFZPGFLSSA-N 280.111 -0.394 50 20 CBGD COC(=O)c1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)o1 863146201 UGKNZIDWZUNGRN-QMMMGPOBSA-N 279.252 -0.205 50 20 CBGD COC(=O)[C@@H]1CCCC(=NNC(=O)CS(C)(=O)=O)C1 863185925 HXJNCVGLXVRZDK-MRVPVSSYSA-N 290.341 -0.134 50 20 CBGD CCOC(=O)CN(C)C(=O)c1cc(B(O)O)ccc1F 865027647 YPKBRIKEJRQWAQ-UHFFFAOYSA-N 283.064 -0.859 50 20 CBGD CCn1cc(C=NNC(=O)NCCCOC)nn1 901175584 BXBLERMNLHMGGT-UHFFFAOYSA-N 254.294 -0.032 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc(OCC(=O)O)cc1 915185635 JIPJGVPXEDEDPL-UHFFFAOYSA-N 288.281 -0.521 50 20 CBGD CC(=O)NCC(=O)NNC(=O)c1ccc(Cl)cc1O 920458438 UEUZLSJMXUQNGB-UHFFFAOYSA-N 285.687 -0.057 50 20 CBGD O=C(CO)NN=Cc1ncc(C2OCCO2)s1 1255997906 CXIVVJNMUBDRRT-UHFFFAOYSA-N 257.271 -0.369 50 20 CBGD CNC(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1F 1321298711 GFLDUDPMAZOFOO-UHFFFAOYSA-N 290.276 -0.953 50 20 CBGD CC1(NC(=S)NNC(=O)CCN2CCOCC2)CC1 1321606831 PLWUTOCFBMTMPQ-UHFFFAOYSA-N 286.401 -0.244 50 20 CBGD N#CC1(C(=O)NNC(=O)N2CCOCC2)CCOCC1 1327237587 IGQCIJZQGJUKTN-UHFFFAOYSA-N 282.300 -0.620 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)c1ncc[nH]1 1328297399 QIXGVUWKIOWHOJ-UHFFFAOYSA-N 251.168 -0.084 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCCN1C=O 1328408643 VIMVWRDWVWZXFV-JTQLQIEISA-N 298.343 -0.941 50 20 CBGD C[C@@H](CO[C@@H]1CCOC1)NC(=O)NNC(=O)c1cn[nH]c1 1328788856 ICHTUSGCDXIJCG-WCBMZHEXSA-N 297.315 -0.452 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NOC2CCC2)N1 1328801191 YRRQSHBTYGNXRM-SSDOTTSWSA-N 256.262 -0.921 50 20 CBGD CS(=O)(=O)CC(=O)NN=CCCc1cnoc1 1331723752 XYQGKMJAWRLOTE-UHFFFAOYSA-N 259.287 -0.246 50 20 CBGD C=C[C@@](C)(O)C(=O)NNC(=O)C(=O)NC(CC)CC 1334106894 SRQMLJFHJAOCJG-GFCCVEGCSA-N 271.317 -0.624 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])N1 1349543411 RCSGJGGTSLAFOC-MRVPVSSYSA-N 292.251 -0.366 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cc(=O)n(C)cn1 1352215578 ASLBXIYJIUGVAZ-UHFFFAOYSA-N 253.262 -0.914 50 20 CBGD O=C(O)C1=NO[C@@H](C(=O)NNC(=O)c2ccc[nH]2)C1 1574644179 PBMYVJUPYPEYDO-SSDOTTSWSA-N 266.213 -0.995 50 20 CBGD CC1(C)CCN[C@H]1C(=O)NNC(=O)c1cccnn1 1576443005 QICFVQYVSCCWOH-VIFPVBQESA-N 263.301 -0.374 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCN[C@H]([C@@H]2CCCO2)C1 1578413318 KRZVALFXFHHCEE-WOPDTQHZSA-N 298.387 -0.757 50 20 CBGD CNC[C@@H](O)[C@H](C)C(=O)NNC(=O)NCC(F)(F)F 1578646132 PWPXJRBFKHYUMJ-NTSWFWBYSA-N 286.254 -0.905 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)O)c1 1588514549 HDWSRGVIXCFVRN-UHFFFAOYSA-N 265.225 -0.509 50 20 CBGD COCCN(C)NC(=O)Nc1nn(C)cc1-c1nn[nH]n1 1605094874 IYOONBUQBUIORI-UHFFFAOYSA-N 295.307 -0.785 50 20 CBGD CN(CCNC(=O)NNC(=O)C(=O)O)C1CCCC1 1610117334 LDJZNCNYHDJZFH-UHFFFAOYSA-N 272.305 -0.724 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(CO)CC1 109830623 UMNYYXCAOCYVBB-SECBINFHSA-N 257.334 -0.363 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCCC[C@@H]1C(N)=O 111193542 MKLRTLNCPBDASI-GHMZBOCLSA-N 298.387 -0.092 50 20 CBGD C[C@@H](Oc1cccnc1)C(=O)NNC(=O)CN(C)C 117972617 NRQNGCRWFDSITJ-SECBINFHSA-N 266.301 -0.442 50 20 CBGD CO[C@H](C)CCC(=O)NNC(=O)CNC(=O)c1ccco1 272735415 FFBISSUAYJRPLC-SECBINFHSA-N 297.311 -0.028 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)C1(O)CCC1 274652339 CFZSETFJNCSPRI-UHFFFAOYSA-N 280.280 -0.167 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ccon2)CC1 278556222 HAOLXJGWYYVJLQ-UHFFFAOYSA-N 253.262 -0.724 50 20 CBGD COCCN1CN(C(=O)NNC(=O)C(C)(C)C)CC1=O 282615279 CJRQMNIINCKIKS-UHFFFAOYSA-N 286.332 -0.479 50 20 CBGD COC(=O)C[C@H](C)CC(=O)NNc1ccc(C(N)=O)nn1 289233090 DFRMEELRQNATOO-SSDOTTSWSA-N 295.299 -0.392 50 20 CBGD C#CCO[C@@H](C)C(=O)NNC(=O)c1cc(C)n[nH]1 295105613 ZLYAJKXEWYVIFF-QMMMGPOBSA-N 250.258 -0.483 50 20 CBGD CCCC[C@H](NC(N)=O)C(=O)NNC(=O)N(C)C 299368973 KMSSLTRJTQKQFC-ZETCQYMHSA-N 259.310 -0.484 50 20 CBGD C[C@@H]1CN(S(=O)(=O)CBr)C[C@@H]1O 306407006 WTOPVULAOQUFLF-RITPCOANSA-N 258.137 -0.019 50 20 CBGD CCN1CCC(NC(=O)c2ccc(B(O)O)c(F)c2)CC1 584925033 CTHMRNXENRPLJV-UHFFFAOYSA-N 294.135 -0.280 50 20 CBGD C[C@H]1CN(C)CC[C@@H]1NC(=O)c1cccc(B(O)O)c1 584937925 RJDIQTPEGUIIHN-GWCFXTLKSA-N 276.145 -0.564 50 20 CBGD C[C@@H]1CC[C@@H](CO)CN1C(=O)c1cc(B(O)O)ccc1F 584966907 CKIYLFPHQRSQJK-NXEZZACHSA-N 295.119 -0.262 50 20 CBGD CC(C)(C)[C@@H](CO)NC(=O)c1cc(B(O)O)ccc1F 584975170 ZDKKTCDGNCNNHV-LLVKDONJSA-N 283.108 -0.358 50 20 CBGD CSC[C@@](C)(O)CNCc1ccc(B(O)O)cc1F 585024818 DHOCWPNALAJBSN-LBPRGKRZSA-N 287.165 -0.291 50 20 CBGD OCC(F)(F)CNCc1ccc(B(O)O)cc1F 585036671 NXCTXRPILVHABD-UHFFFAOYSA-N 263.024 -0.777 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1)c1ccn(C)n1 585046168 OFWDICSIUYYLJU-JTQLQIEISA-N 259.118 -0.049 50 20 CBGD O=C(NCB(O)O)c1c[nH]nc1-c1ccsc1 585062538 JCSNHVFHIHUQDA-UHFFFAOYSA-N 251.076 -0.120 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1CCCCN1C 737819768 XNQKWZWAWJEXMH-SNVBAGLBSA-N 272.349 -0.162 50 20 CBGD COC(=O)C(C)(C)NCC(=O)NNC(=O)C(C)(C)C 744390111 RNMPCAUOBIPWGU-UHFFFAOYSA-N 273.333 -0.279 50 20 CBGD Cn1cc(CCC(=O)NNC(=O)N2CCOCC2)cn1 745996353 ULHPXWGEJMCPOI-UHFFFAOYSA-N 281.316 -0.574 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=S)N[C@H](C)C1CC1 751620663 KRLKAZGJVXRHBF-RQJHMYQMSA-N 272.374 -0.195 50 20 CBGD CCc1ncc(NC(=O)NNC(=O)COC)cn1 757749996 ZSQKSIAHTBHBPX-UHFFFAOYSA-N 253.262 -0.162 50 20 CBGD COC(C)(C)CN(C)CC(=O)NNC(=O)C1CC1 758811905 IGMJGYVKCCDECV-UHFFFAOYSA-N 257.334 -0.099 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCc2nccn2C1 786917600 IYINKSYYARMROM-SECBINFHSA-N 288.311 -0.062 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)CCCC(N)=O)c1 787317449 QIXBNJBRTHHFLJ-UHFFFAOYSA-N 274.280 -0.025 50 20 CBGD CO[C@@H](C(=O)NNC(=O)c1c[nH]nc1C)C1CC1 792146318 CPDQKQVIJHCTGF-SECBINFHSA-N 252.274 -0.096 50 20 CBGD CCCNC(=O)NNC(=O)C1(S(C)(=O)=O)CCC1 793221138 XBPAVGFSYIDGOU-UHFFFAOYSA-N 277.346 -0.306 50 20 CBGD CN(C)CC(=O)NNC(=O)Cc1ccc(F)cn1 806771432 QGJRHVKJYGVGBI-UHFFFAOYSA-N 254.265 -0.528 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc2n(n1)CCO2 811352386 WJDFUMTWICZYAB-SSDOTTSWSA-N 296.283 -0.622 50 20 CBGD Cn1cnn(CCC(=O)NNc2ncncc2Cl)c1=O 816340890 UZZNQFNEBINJNS-UHFFFAOYSA-N 297.706 -0.441 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCc2cncn2C1 823922989 NZWIODBOXXSOMK-VHSXEESVSA-N 252.318 -0.211 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccc2nnc(S)n2c1 823927859 HPYIZQZCPUTOAX-ZETCQYMHSA-N 281.341 -0.025 50 20 CBGD COC/C(C)=C\C(=O)NNC(=O)CN1CCCC1=O 824308118 VZDQLQKJHJGQBB-TWGQIWQCSA-N 269.301 -0.651 50 20 CBGD CCN(C)S(=O)(=O)NNC(=O)[C@@H]1CCCCO1 830034202 NFVOHFNDTGEADQ-QMMMGPOBSA-N 265.335 -0.627 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](C)C[C@H](C)N 831211207 FDQTVQGGUHLGLZ-LPEHRKFASA-N 290.364 -0.506 50 20 CBGD O=C(O)NCCCC(=O)NNC(=O)Cc1ccncc1 832609399 WVHPFVWGDXSUQN-UHFFFAOYSA-N 280.284 -0.181 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 839720009 GAXAKLVIQJXUFX-QWWZWVQMSA-N 272.652 -0.180 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)N1CCCCC1 842591744 FCPZKGVYHSPSDA-UWVGGRQHSA-N 291.373 -0.237 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)N1CCCC1 842592864 PTGUEJBNUCISCC-BDAKNGLRSA-N 277.346 -0.627 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843640823 PYYDMOAMTDEFRW-BKPPORCPSA-N 257.290 -0.917 50 20 CBGD CC(C)C(=O)NNC(=O)c1ccn(CCN(C)C)n1 847288992 GSNKWKRXTBREBB-UHFFFAOYSA-N 267.333 -0.138 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCS2(=O)=O)o1 847554452 DUKLLJYTCWWOOA-VIFPVBQESA-N 286.309 -0.074 50 20 CBGD CN(C)CC(=O)NNC(=O)Cc1cncc(O)c1 848369362 KKEPQBSTCOTZKB-UHFFFAOYSA-N 252.274 -0.961 50 20 CBGD C[C@@H](CCN(C)C)NC(=O)NNC(=O)c1cn[nH]c1 858281821 ZWALPGLSSUILQJ-QMMMGPOBSA-N 268.321 -0.306 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc(O)n1 862461309 NMTSGNKNKRVQHP-MRVPVSSYSA-N 278.268 -0.865 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cn[nH]c1)c1cnn(C)c1 862471971 DRVPWBFULAMYHT-SSDOTTSWSA-N 262.273 -0.292 50 20 CBGD CON1CCC(NCc2ccc(B(O)O)cc2)CC1 863890357 SZADXWZBLXIALZ-UHFFFAOYSA-N 264.134 -0.518 50 20 CBGD C#CCCCC(=O)NNS(=O)(=O)N1CC[C@H](C)C1 901966574 OHVHDPAPKFLFKF-JTQLQIEISA-N 273.358 -0.003 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cnc2nccnc2c1 910161649 XVXKOLKWZRNOSU-MRVPVSSYSA-N 261.285 -0.018 50 20 CBGD C[C@H](O)CN(C)NC(=O)C(=O)Nc1ccccc1 910171022 QMVVSHQSPDATAF-VIFPVBQESA-N 251.286 -0.031 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1CC12CCC2 913731837 YMIGLAONWNXCQW-SECBINFHSA-N 265.313 -0.054 50 20 CBGD CO[C@H](C(=O)NNC(=O)CN1CCCC1=O)C1CCCC1 913733553 MVJOHLIJUAVFBX-ZDUSSCGKSA-N 297.355 -0.039 50 20 CBGD O=C(Cn1ccc([N+](=O)[O-])n1)NNC(=O)C1CC1 916728335 AWJKTXLMNPEQHB-UHFFFAOYSA-N 253.218 -0.651 50 20 CBGD CC(C)N1CCC[C@@H]1C(=O)NNC(=O)C(C)(C)O 935563320 MJAKBRQNODKYHF-SECBINFHSA-N 257.334 -0.223 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H](C)CS(C)(=O)=O 1116182700 SDLHMTMRKSOCAT-QMMMGPOBSA-N 295.361 -0.966 50 20 CBGD NC(=O)c1csc(C=NNC(=O)[C@H]2CCC(=O)N2)c1 1118889714 ROVJLQXNROYHFO-MRVPVSSYSA-N 280.309 -0.424 50 20 CBGD C[C@@H](O)c1cn(CC(=O)NNc2ncccn2)nn1 1319171288 NOUWGWOHKIXEQU-SSDOTTSWSA-N 263.261 -0.735 50 20 CBGD CS(=O)(=O)c1cccc(NNC(=O)C(=O)NC2CC2)c1 1320096748 WUWDDJPTFNOLKA-UHFFFAOYSA-N 297.336 -0.188 50 20 CBGD Cc1cccc(C(=O)NNC(=O)NCC[S@](C)=O)n1 1321195143 DMICXOKFQSFLJZ-IBGZPJMESA-N 284.341 -0.287 50 20 CBGD NS(=O)(=O)c1ccc(CC(=O)NNC(=O)C2CC2)cc1 1322626440 QPJVCVPKMKXGAD-UHFFFAOYSA-N 297.336 -0.566 50 20 CBGD Cc1nnc(NNC(=O)c2cncc(O)c2)nc1O 1327718354 PXODDCBPPAFQSK-UHFFFAOYSA-N 262.229 -0.257 50 20 CBGD COCCN(C)NC(=O)CCC[C@]1(C)NC(=O)NC1=O 1327918580 YGJYAKLLOAKZGK-LBPRGKRZSA-N 286.332 -0.636 50 20 CBGD O=C(CCCn1cncn1)NNC(=O)NC1CC1 1339038296 XTUOFKSJCGEWTA-UHFFFAOYSA-N 252.278 -0.449 50 20 CBGD NCC[C@@H]1CCCCN1CC(=O)NNC(=O)C1CC1 1349388418 BZYQYSLFEIYBPP-NSHDSACASA-N 268.361 -0.253 50 20 CBGD N[C@@H]1C[C@H]2C[C@@]2(C(=O)NNC(=O)[C@@H]2CCCCO2)C1 1580405109 OCJSUOGAFINPOG-MPXOCVNLSA-N 267.329 -0.170 50 20 CBGD COC(=O)N(C)NC(=O)CC[C@@H]1C[C@H](C(=O)O)CO1 1598876474 VYHPEEXTIHDINM-JGVFFNPUSA-N 274.273 -0.014 50 20 CBGD O=C(O)COc1cccc(NC(=O)NNC(=O)CCO)c1 1602094767 YOYOHRMTBKNVDE-UHFFFAOYSA-N 297.267 -0.315 50 20 CBGD CC(C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)c(O)c1 1609086241 TUEHPYFYKHBFTA-UHFFFAOYSA-N 290.283 -0.011 50 20 CBGD COc1cc(C(=O)O)ccc1NNC(=O)[C@@]1(O)CCOC1 1610285251 DQTXCDVZBRHQIX-CYBMUJFWSA-N 296.279 -0.012 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 43466706 ITKCXDCZZQYSNW-UHFFFAOYSA-N 275.272 -0.374 50 20 CBGD NC[C@H]1CCN(CC(=O)NNC(=O)c2ccccc2)C1 50248892 RMGVZSYPVSLKNA-LLVKDONJSA-N 276.340 -0.272 50 20 CBGD CN[C@H]1CCN(CC(=O)NNC(=O)c2cccs2)C1 129083362 BSTAIVGANFLVBT-VIFPVBQESA-N 282.369 -0.197 50 20 CBGD OB(O)c1cc2ccc3cc(B(O)O)cc4ccc(c1)c2c34 217700221 FPRSWDUBZQTQGO-UHFFFAOYSA-N 289.892 -0.056 50 20 CBGD CN(NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)C(N)=O 271289733 LXDXDOHNDXVUHY-LHLIQPBNSA-N 272.330 -0.518 50 20 CBGD CC(C)NC(=O)NNC(=O)c1cnc2[nH]c(=O)[nH]c2c1 291466203 ITSPFZBAMWVAJA-UHFFFAOYSA-N 278.272 -0.396 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)N2CCCC2)c(=O)n(C)c1=O 490587184 DWETUVUFWQEIDH-JXMROGBWSA-N 288.307 -0.387 50 20 CBGD CC(C)(C)n1cnc(C(=O)Nc2cccc(B(O)O)c2)n1 584911706 LLCBYLHVVNXFPU-UHFFFAOYSA-N 288.116 -0.035 50 20 CBGD NC(=O)[C@@H]1CCC[C@H](C(=O)Nc2cccc(B(O)O)c2)C1 584914409 XCDZPVAEPZIEJA-ZJUUUORDSA-N 290.128 -0.403 50 20 CBGD CN(C(=O)c1cccc(B(O)O)c1)C1CCS(=O)CC1 584949241 DCVBMAIZIYEHPJ-UHFFFAOYSA-N 295.169 -0.651 50 20 CBGD COCCOC[C@@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584950440 CYWKEZFFSCWGME-SECBINFHSA-N 299.107 -0.713 50 20 CBGD O=C(N[C@@H](CO)C1CCCC1)c1ccc(B(O)O)cc1 584991410 YGOIHMMKDPLMOS-ZDUSSCGKSA-N 277.129 -0.353 50 20 CBGD CCC(=O)N1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584999757 CUNZUZZPAUPMHY-UHFFFAOYSA-N 294.091 -0.843 50 20 CBGD CC(C)C[C@@H](CO)CNCc1ccc(B(O)O)o1 585039032 MMILFVYGCSTIGT-SNVBAGLBSA-N 255.123 -0.296 50 20 CBGD OCCCN1CCC[C@H](NCc2ccccc2B(O)O)C1 585043861 UTADISRNIPYBTO-AWEZNQCLSA-N 292.188 -0.697 50 20 CBGD O=C(NNC(=O)C1(C(=O)NC2CC2)CC1)NC1CC1 726163637 XQUUQMHEEGXUAO-UHFFFAOYSA-N 266.301 -0.462 50 20 CBGD CC(C)NC(=O)CNC(=S)NNC(=O)NC1CC1 727279807 VMPJWFDMSCCURV-UHFFFAOYSA-N 273.362 -0.648 50 20 CBGD CCS(=O)(=O)CC(=O)NNC(=O)c1cccc(C#N)c1 728825810 RORQPSLHIAOLHS-UHFFFAOYSA-N 295.320 -0.246 50 20 CBGD O=C(CN1CCC[C@H](C2OCCO2)C1)NNC(=O)C1CC1 733194742 LILDVTDSOWYKOC-NSHDSACASA-N 297.355 -0.371 50 20 CBGD CC(C)CC(=O)NNC(=O)NCc1nnnn1C1CC1 743697527 GHHPWHJFIVJZPM-UHFFFAOYSA-N 281.320 -0.116 50 20 CBGD O=C1C[C@H](C(=O)NNc2ncccc2[N+](=O)[O-])CCN1 754477855 YUPXBVCNLMKVHO-SSDOTTSWSA-N 279.256 -0.041 50 20 CBGD CCCNC(=O)c1cccc(NC(=O)NNC(=O)CO)c1 755794561 CNOAPUSMFABHIL-UHFFFAOYSA-N 294.311 -0.029 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CC(C)(F)F 757841514 XYPZSMXPSCYELY-UHFFFAOYSA-N 251.233 -0.296 50 20 CBGD CCOC(=O)[C@@H]1CCC(=NNC(=O)C(N)=O)C[C@@H]1C 758093717 NBEQILTXOBVTNO-IONNQARKSA-N 269.301 -0.057 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1cnc2ccccc2c1 764428875 LYYGZNIPDPRSLE-UHFFFAOYSA-N 288.263 -0.687 50 20 CBGD COCCOCCC(=O)NNC(=S)NCCSC 770239134 GYAYSXDSXCBMRY-UHFFFAOYSA-N 295.430 -0.102 50 20 CBGD COC(=O)Cn1ccc(NC(=O)NNc2ncccn2)n1 775625541 CGNCPFVURSIELD-UHFFFAOYSA-N 291.271 -0.005 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53 795238623 LJPKTKMUFKJAKY-MSGVPLPGSA-N 262.309 -0.480 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cnc(OC)s1 812227564 IEUPFSATJXNPIA-UHFFFAOYSA-N 272.286 -0.042 50 20 CBGD COCCCNC(=O)NNC(=O)[C@](C)(O)C1CCC1 813423826 AEUFOJBPNNMVEO-GFCCVEGCSA-N 273.333 -0.096 50 20 CBGD CCOC(=O)[C@@H](CC(=O)NNC(=O)c1ccc[nH]1)C(C)=O 816824409 YNCJSHABODLALP-VIFPVBQESA-N 295.295 -0.066 50 20 CBGD O=C(O)C[C@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 819375385 NGJOHYKKBPACDP-SECBINFHSA-N 283.328 -0.270 50 20 CBGD CN(NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)C1CC1 819647613 PSOMDCQEZMZFCT-NSHDSACASA-N 296.352 -0.158 50 20 CBGD COc1ccnc(NNC(=O)C[C@H]2CCC(=O)N2C)n1 821482204 WQWGAAHZICKBTN-MRVPVSSYSA-N 279.300 -0.061 50 20 CBGD CCN(CCO)NC(=O)C(=O)NCc1ccc(F)cc1 823860186 NBOCFGOTRLOWCG-UHFFFAOYSA-N 283.303 -0.213 50 20 CBGD CCN(CCO)NC(=O)c1cccc(-n2cncn2)n1 823893571 NZDIHXXIKQJLGJ-UHFFFAOYSA-N 276.300 -0.379 50 20 CBGD COCC1(C(=O)NNC(=O)CN2CCCC2=O)CCCC1 824349463 UEUBJVXKHKLULN-UHFFFAOYSA-N 297.355 -0.037 50 20 CBGD CCCNC(=O)CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 825558562 MZLPSYVCWJRCLY-DTWKUNHWSA-N 286.332 -0.732 50 20 CBGD CNC(=O)CCCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 825876907 QFJIHDWACAQYHI-IUCAKERBSA-N 286.332 -0.732 50 20 CBGD CN(NC(=O)/C=C/c1ccccc1-c1nn[nH]n1)C(N)=O 826004350 TZJOTINJEFJEIH-VOTSOKGWSA-N 287.283 -0.078 50 20 CBGD CCN1C[C@H](NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1=O 826918452 VSFIAJVDNOPWGK-BBBLOLIVSA-N 298.343 -0.637 50 20 CBGD C[C@H](CC(=O)O)C(=O)NNC(=O)Cc1ccncc1 827304001 NEJOHPJSXZSDSE-MRVPVSSYSA-N 265.269 -0.118 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H](CC(C)C)C(N)=O)n[nH]1 839706753 ZDQCXWAZUWLCTP-MRVPVSSYSA-N 281.316 -0.373 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)COCc1ccnn1C 843653704 FNQCIOMNFWTGFS-KOLCDFICSA-N 296.327 -0.491 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccnc1O 843972096 FTKYEGNZXOZYAS-HTQZYQBOSA-N 265.269 -0.027 50 20 CBGD COCCN(C)NC(=O)c1cnc2nc(O)nc(O)c2c1 848377244 FALJFSSSWCETPG-UHFFFAOYSA-N 293.283 -0.341 50 20 CBGD C[C@H](CNC(=O)NNC(=O)Cc1cccnc1)C(=O)O 848585496 MNPNHFLOAQALEF-MRVPVSSYSA-N 280.284 -0.325 50 20 CBGD CNC(=S)N(C)NC(=O)c1cnc2c(c1)nnn2C 854922553 MWWPQSKHIVUGTA-UHFFFAOYSA-N 279.329 -0.556 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCC2CCC2)N1 858137445 QOHPMIIOVXXCFF-QMMMGPOBSA-N 254.290 -0.605 50 20 CBGD CC(=O)c1ccccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862455545 GYNRUEAGMRTLNG-LLVKDONJSA-N 289.291 -0.071 50 20 CBGD O=C(CCn1cccc1)NNC(=O)[C@H]1CCC(=O)N1 862456745 SFDQVBAYKKBPTH-SECBINFHSA-N 264.285 -0.696 50 20 CBGD C[C@H]1CCCN(C(=O)C(=O)NNC(=O)c2cn[nH]c2)C1 862470580 ICXKSMNAXVHJAG-QMMMGPOBSA-N 279.300 -0.571 50 20 CBGD O=C1CC[C@H](C(=O)NN=Cc2ccc([N+](=O)[O-])o2)N1 863146864 VLGYRENQNUUSFJ-SSDOTTSWSA-N 266.213 -0.084 50 20 CBGD C[C@]1(C(=O)NNC(=O)NC2CCCC2)CCNC1=O 874244652 OOXLDDSBVVBNJJ-LBPRGKRZSA-N 268.317 -0.214 50 20 CBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NN(C)C[C@@H](C)O)C2 910146556 JUAPCANHEIAFSN-RHYQMDGZSA-N 297.355 -0.027 50 20 CBGD CC[C@H](C(=O)NNC(=O)CN1CCCC1=O)N(C)C 913730187 KRZUUNJEROYMHY-SECBINFHSA-N 270.333 -0.904 50 20 CBGD NC(=O)CSCC(=O)NNC(=O)c1ccccc1F 915261743 INUQIBLSAZWRIB-UHFFFAOYSA-N 285.300 -0.195 50 20 CBGD Cc1nn(C)cc1C1=NO[C@H](C(=O)NNC(=O)C2CC2)C1 929231897 LKMYOJDDUJWHTR-NSHDSACASA-N 291.311 -0.221 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@]12CCC[C@@H]1C2 929448905 PSDCNQBYEKPIQU-PRHODGIISA-N 253.302 -0.151 50 20 CBGD CCOCCO[C@H](C)C(=O)NNc1nnc(C)c(O)n1 1115893592 IOIAOANSSIQUSC-MRVPVSSYSA-N 285.304 -0.230 50 20 CBGD O=C(NCC(F)F)C(=O)NNc1ncc(Cl)cn1 1118844828 PSKJMUBGHYHRNV-UHFFFAOYSA-N 279.634 -0.046 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CCOCC1 1118863135 IEZVQWXHAPJYBI-WCBMZHEXSA-N 298.343 -0.590 50 20 CBGD COCc1nc(C(=O)N2CC[C@@H](B(O)O)C2)cs1 1118975502 PFPLOFWENKVLLV-SSDOTTSWSA-N 270.119 -0.022 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(C(N)=O)cc1 1317716479 IQUZXHRYLDSJES-UHFFFAOYSA-N 292.295 -0.929 50 20 CBGD COCC(=O)NCCC(=O)NNC(=O)C(C)(C)C 1317995307 HXOMTJVBACHQPZ-UHFFFAOYSA-N 259.306 -0.667 50 20 CBGD Cc1nn(C)c(C)c1C(=O)C(=O)NNC(=O)NC(C)C 1318040452 JQXVWXNOEBYXGU-UHFFFAOYSA-N 281.316 -0.042 50 20 CBGD Cn1cc(C(=O)NNC(=O)N[C@@H]2CCSC2)cn1 1324951570 CBABCQFRYIWOSC-MRVPVSSYSA-N 269.330 -0.130 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CCC(O)(C(N)=O)CC1 1325083272 GEEWLKVGWBKMJZ-HJWRWDBZSA-N 267.285 -0.731 50 20 CBGD O=C(NNC(=O)C(=O)NCC(F)F)OCC(F)(F)F 1328494226 LHLUBDJRNJOBMM-UHFFFAOYSA-N 293.148 -0.313 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ncnn1C 1332094136 PUGRJRXKABXZMO-YIZRAAEISA-N 296.331 -0.369 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNc1ncc(F)cn1 1336371014 UGISAAFCHSLCTQ-VIFPVBQESA-N 269.280 -0.221 50 20 CBGD C[C@]1(C(=O)NCCS(N)(=O)=O)C[C@@H]1Br 1337012041 OYZPBLKPOQFPHC-FSPLSTOPSA-N 285.163 -0.435 50 20 CBGD N[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CCCCCC1 1580115138 MTUPBYPQIRSMHK-ZYHUDNBSSA-N 296.371 -0.290 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H]1CCCN(CC(=O)O)C1=O 1588843919 SSTKSHAYEJHJEI-SECBINFHSA-N 299.327 -0.497 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNC(=S)Nc1ccccn1 1593912041 WEWJOUQRWATOOF-SSDOTTSWSA-N 284.297 -0.501 50 20 CBGD CCOc1cc(C(=O)O)ccc1NC(=O)NNC(=O)CO 1597020481 JYNBTGDKXMVWQI-UHFFFAOYSA-N 297.267 -0.072 50 20 CBGD COc1ccc2c(c1)C(=NNC(=O)C(=O)O)C(=O)N2 1599624970 FZHSTOMIAKAXQI-UHFFFAOYSA-N 263.209 -0.448 50 20 CBGD Cn1nc(C(=O)O)cc1C(=O)NNC(=O)CC(F)(F)F 1605539401 SPUJBZFFSVBPIQ-UHFFFAOYSA-N 294.189 -0.168 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1COC2(CCC2)C1 1608477893 OXXLSSWIPKJBSE-ZCFIWIBFSA-N 257.246 -0.887 50 20 CBGD CN1CCN(C)[C@H](CNS(=O)(=O)CCl)C1 82670297 OVIRNSQOVJCFSM-MRVPVSSYSA-N 255.771 -0.652 50 20 CBGD CCN(CCO)[C@@H](C)C(=O)NNC(=O)CC(C)C 111200510 VWLARYVZPLPZMB-JTQLQIEISA-N 259.350 -0.117 50 20 CBGD COc1ccnc(NNC(=O)[C@H](C)N2CCN(C)CC2)n1 263719377 WMDKDCZEYRCEPY-JTQLQIEISA-N 294.359 -0.436 50 20 CBGD C[C@H](NC(=S)NNC(=O)C1=NN(C)C(=O)CC1)C1CC1 267563535 BLLOYSIJKZWFQC-ZETCQYMHSA-N 297.384 -0.112 50 20 CBGD COC(=O)NCC(=O)NNC(=O)c1ccc(C)o1 267825552 JCHANULWMYAJFT-UHFFFAOYSA-N 255.230 -0.295 50 20 CBGD CC(=O)NNC(=O)[C@@H](Cc1ccccc1)n1nnnc1C 274194219 LNHUBMOXLMIZQR-GFCCVEGCSA-N 288.311 -0.067 50 20 CBGD COC(=O)[C@H]1C[C@H]1C(=O)NNC(=O)c1cccc(C)n1 279772606 HKOAUEVWPVHFJN-BDAKNGLRSA-N 277.280 -0.040 50 20 CBGD COCCN(C)NC(=O)Cn1nnc(-c2ccccc2)n1 288458274 JTPMXONYLMNPLY-UHFFFAOYSA-N 290.327 -0.051 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)CC1CC1 294139535 LOLJJWYHOQGBLT-MRVPVSSYSA-N 256.306 -0.229 50 20 CBGD CCn1cc(S(=O)(=O)NNC(=O)OC)nc1C 494148628 OTGFJZWVNSFVHP-UHFFFAOYSA-N 262.291 -0.239 50 20 CBGD C[C@H]1CN(C)CCN1C(=O)c1ccc(B(O)O)cc1 584941555 KVUUAEFPVMLHMC-JTQLQIEISA-N 262.118 -0.858 50 20 CBGD CN1CCC(C)(NC(=O)c2cccc(B(O)O)c2)CC1 584976664 SVACOVZYWMNSHX-UHFFFAOYSA-N 276.145 -0.420 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@H]1c1ncon1 584992029 JJHWJJWMJJBQJD-LLVKDONJSA-N 287.084 -0.273 50 20 CBGD COCCCCN(C)C(=O)c1ccc(B(O)O)cc1 585001626 ZQDGOXYOXSPRBQ-UHFFFAOYSA-N 265.118 -0.135 50 20 CBGD OB(O)c1ccc(CN[C@@H]2c3ccccc3C[C@H]2O)o1 585028936 SRLMKPFLBXREKR-TZMCWYRMSA-N 273.097 -0.293 50 20 CBGD CC(=O)N1CC[C@H](NCc2ccccc2B(O)O)C1 585031019 OKERHQBOFUWWGS-LBPRGKRZSA-N 262.118 -0.923 50 20 CBGD C[C@H](CC[S@](C)=O)NCc1ccc(B(O)O)cc1 585031802 YMSLBOBKDPNRLA-MGNBDDOMSA-N 269.175 -0.387 50 20 CBGD O=S(=O)(NCB(O)O)c1c(F)cccc1Cl 585059248 GGWMTKGJDLCYLU-UHFFFAOYSA-N 267.474 -0.231 50 20 CBGD O=C(NCB(O)O)[C@H](c1ccccc1F)N1CCOCC1 585060346 DZDHLJOTWDLUHD-LBPRGKRZSA-N 296.107 -0.673 50 20 CBGD O=C(CCC(=O)N1CC[C@H](B(O)O)C1)NC1CCCC1 585067649 ZDJSAVYPHKKRFH-JTQLQIEISA-N 282.149 -0.099 50 20 CBGD CC(=O)NCC(=O)NNC(=O)CCc1ccccc1O 730034386 OZWFAFZIOKCYHF-UHFFFAOYSA-N 279.296 -0.392 50 20 CBGD COc1cc(C=NNC(N)=O)cc(OC)c1OCC(N)=O 730542451 VMGWKWXNMDJOBN-UHFFFAOYSA-N 296.283 -0.430 50 20 CBGD Cn1cc(C(=O)NNC(=O)COc2ccccc2O)cn1 730782876 XNQUYJGTDZWOHX-UHFFFAOYSA-N 290.279 -0.034 50 20 CBGD Cn1cc(C(=O)NNS(=O)(=O)C[C@@H]2CCCO2)cn1 735646412 QGXSBMHFCNKBHL-VIFPVBQESA-N 288.329 -0.837 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](CO)C1 748809992 OTISVXMLTGUDSD-NXEZZACHSA-N 257.334 -0.363 50 20 CBGD O=C(CO)NNC(=O)CSC[C@@H]1CCCCO1 753451401 DWGAFZRNZPMKCS-QMMMGPOBSA-N 262.331 -0.572 50 20 CBGD O=C1C[C@@H](C(=O)NNc2ncccc2[N+](=O)[O-])CCN1 754477858 YUPXBVCNLMKVHO-ZETCQYMHSA-N 279.256 -0.041 50 20 CBGD O=C(NC[C@@H]1CCCS1)NNC(=O)C(=O)NC1CC1 757254652 OTYNMGIBUIFWSN-QMMMGPOBSA-N 286.357 -0.509 50 20 CBGD Cc1ccc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)cn1 764911977 OXELVGNXYWLSAY-VIFPVBQESA-N 284.341 -0.222 50 20 CBGD COc1ccc(C)nc1NC(=O)NNC(=O)CO 765290904 JXOMUEOGSSZTHT-UHFFFAOYSA-N 254.246 -0.456 50 20 CBGD O=C(CO)NN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 766029334 KNZOLDZXXMTBCD-UHFFFAOYSA-N 268.185 -0.055 50 20 CBGD CC(C)(C(N)=O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 767411312 RKTNCYJQOLWBOM-UHFFFAOYSA-N 293.279 -0.312 50 20 CBGD COC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)C(C)(C)O)C1 768258970 BTIZPPSMVKJMDZ-IUCAKERBSA-N 286.328 -0.116 50 20 CBGD CN(NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C(N)=O 778411879 JOCVQDVCWJLOAU-UHFFFAOYSA-N 296.239 -0.172 50 20 CBGD CC[C@H](CO)C(=O)NNC(=O)Cc1ccncc1 779802449 OEESSDBPUCNOKF-SNVBAGLBSA-N 251.286 -0.210 50 20 CBGD CNC(=O)Cn1nc(NC(=O)NNC(=O)C(C)C)cc1C 782592973 FCBWEGWSHIVAKS-UHFFFAOYSA-N 296.331 -0.254 50 20 CBGD NC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)NC2CC2)C1 786827488 OJNIEIFMCPMEJA-JGVFFNPUSA-N 268.317 -0.229 50 20 CBGD O=C(NNC(=O)N1CCOCC1)C1=CCOCC1 793274219 QZPFHCMGNXHNIJ-UHFFFAOYSA-N 255.274 -0.594 50 20 CBGD CN(C)CCNC(=S)NNC(=O)N=c1cc[nH]cc1 795001628 CDXOYJSHKKAIBQ-UHFFFAOYSA-N 282.373 -0.434 50 20 CBGD O=C(Cn1ccc(O)nc1=O)NNc1ncccc1F 804219611 CDGRRBVRMNIAQN-UHFFFAOYSA-N 279.231 -0.374 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)c1ccncc1 806275396 FNOWDFAGLALKFP-SECBINFHSA-N 262.269 -0.537 50 20 CBGD O=C(CNC(=O)c1cccs1)NN=C1COCCOC1 814827279 CCOQMBRXUGPZBD-UHFFFAOYSA-N 297.336 -0.003 50 20 CBGD COc1ccnc(NNC(=O)[C@](C)(C#N)CC(=O)O)n1 820881758 UFYKVDJKXHXEIJ-NSHDSACASA-N 279.256 -0.067 50 20 CBGD Cc1nc(CC(=O)NNC(=O)C2CCCC2)n[nH]1 821750692 NADVJVPMDNUUFX-UHFFFAOYSA-N 251.290 -0.007 50 20 CBGD COC[C@@](C)(O)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 826148914 UDBZYFWNQVLLTD-GFCCVEGCSA-N 292.299 -0.293 50 20 CBGD CCOCCNC(=S)NNC(=O)[C@@H]1CCO[C@H]1C 843278132 XDZQDEMOAFZFON-DTWKUNHWSA-N 275.374 -0.057 50 20 CBGD Cc1[nH]nc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1[N+](=O)[O-] 843976762 YULWXLBXZRFGLL-RQJHMYQMSA-N 297.271 -0.188 50 20 CBGD O=C(NNc1ccc(Cl)nn1)[C@H]1CCS(=O)(=O)N1 846635657 YPMYPJDIVXTMIT-RXMQYKEDSA-N 291.720 -0.735 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@H]2CCNC2)n1 851672884 YCVPTTARPKJHGH-JTQLQIEISA-N 280.332 -0.808 50 20 CBGD N#CSCCCNC(=O)CN1CCS(=O)(=O)CC1 854363048 JOHDSMLIMVSLPD-UHFFFAOYSA-N 291.398 -0.563 50 20 CBGD CCC[C@@](C)(O)C(=O)NNC(=O)N1CCN(C)CC1 854378932 INXPBYPVIFQYLD-GFCCVEGCSA-N 272.349 -0.474 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CCCN1c1ncccn1 854926955 QVGYUMWXSILAGB-SECBINFHSA-N 294.384 -0.087 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H](O)C2CCCCC2)N1 862458398 FJWSCKGKCHNZEZ-GXSJLCMTSA-N 283.328 -0.646 50 20 CBGD Cc1ccc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1O 862461840 RZNQDEUNLAKNCO-JTQLQIEISA-N 291.307 -0.331 50 20 CBGD CCC[C@@H](OCC)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862464377 XQXVPVXHUBCWAL-RKDXNWHRSA-N 271.317 -0.382 50 20 CBGD COC(=O)N(C)CC(=O)NN=c1cc[nH]c(C)c1 862510664 PHPYVACEOCIMGQ-UHFFFAOYSA-N 252.274 -0.047 50 20 CBGD COCCOCC(=O)NNC(=O)C1(N(C)C)CCC1 869905987 HOBLKUFBGORJDZ-UHFFFAOYSA-N 273.333 -0.719 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H]1CCCC(=O)N1C 906426290 PNLBCGWKMHEEMC-QMMMGPOBSA-N 256.306 -0.262 50 20 CBGD COC(=O)CC(=O)NNC(=O)c1cccc(C)n1 907891238 CQWOWMSEVWGVHF-UHFFFAOYSA-N 251.242 -0.286 50 20 CBGD C[C@H](O)CN(C)NC(=O)Cc1nnn(C(C)(C)C)n1 910140531 JGIHJMJXHNGPCB-QMMMGPOBSA-N 270.337 -0.686 50 20 CBGD COc1ccccc1C(=O)NCC(=O)NN(C)C[C@@H](C)O 910180566 MOBJBPGTCHHXCY-SNVBAGLBSA-N 295.339 -0.231 50 20 CBGD O=C(N[C@@H](CO)C[C@@H]1CCCO1)c1cccc(B(O)O)c1 923749757 RPGIXKOEJDKTQA-OLZOCXBDSA-N 293.128 -0.974 50 20 CBGD Cc1cc[nH]c1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1116888712 OCKIGSDWIJCUNB-MRVPVSSYSA-N 285.325 -0.481 50 20 CBGD COCCOC[C@H](C)NC(=O)NNC(=O)c1cn[nH]c1 1118860602 PTNSHJCJCOWZJS-QMMMGPOBSA-N 285.304 -0.595 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CN1CCC(CO)CC1 1120660444 QDQZFGJMMFJHLD-SNVBAGLBSA-N 259.350 -0.966 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H]1CN2CCN1C[C@H]2C 1123572711 BQKMCIRWROYJBY-NXEZZACHSA-N 285.417 -0.722 50 20 CBGD COCCCNC(=O)NNC(=O)c1ncccn1 1261377003 FFVAXDCFQAZMTH-UHFFFAOYSA-N 253.262 -0.543 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)NO[C@@H]1CCCCO1 1261790501 NHAMJYHILCOKSZ-MRVPVSSYSA-N 269.261 -0.188 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@H](C)N1C(=O)CCC1=O 1318215163 YJXABEKYVCPMPV-ZETCQYMHSA-N 270.289 -0.737 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CC[C@H](C)C1 1321079574 IPAPYOBQZJWOEQ-YUMQZZPRSA-N 257.290 -0.074 50 20 CBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CC2)o1 1321993431 JUBAESUVMPUGDK-UHFFFAOYSA-N 273.270 -0.902 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1CCNC(=O)C1 1322546894 QQZJXCXPZOLLRR-SSDOTTSWSA-N 258.347 -0.584 50 20 CBGD CN1CCN(CC(=O)NNc2nncc(N)c2Cl)CC1 1324057443 HWOPUDIDFCOKDZ-UHFFFAOYSA-N 299.766 -0.597 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cnnn1C 1326015095 BUUUKLUOGUHLFC-IONNQARKSA-N 282.304 -0.930 50 20 CBGD O=C(NNC(=O)c1cccc(O)c1O)C(=O)NC1CC1 1326765686 GTSWXVDOLWEDLC-UHFFFAOYSA-N 279.252 -0.863 50 20 CBGD COCCCNC(=O)NNC(=O)CCc1cnccn1 1326831981 NOTVAFRQITXJOV-UHFFFAOYSA-N 281.316 -0.224 50 20 CBGD Cc1ccncc1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1328717404 UFOLTOSZPDWDAP-SNVBAGLBSA-N 291.311 -0.501 50 20 CBGD CN(CC1=CCSC1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1328718254 JBPOGMVHQCRBBD-SECBINFHSA-N 298.368 -0.389 50 20 CBGD Cn1cncc1CC(=O)NNC(=O)Cc1ccncc1 1329082885 VQQIXENSKUYDQX-UHFFFAOYSA-N 273.296 -0.252 50 20 CBGD Cn1ncc(Cl)c1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1329173094 SIQATWLYVKIFCT-ZCFIWIBFSA-N 285.691 -0.887 50 20 CBGD COCn1ccc(C(=O)NNC(=O)NC2CC2)n1 1330788086 WMVXYFNKVFKVRF-UHFFFAOYSA-N 253.262 -0.407 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)CN2CCCC2=O)CCC1=O 1354111918 VHBUCIMPQNKRIF-NXEZZACHSA-N 295.339 -0.239 50 20 CBGD COc1cccc(C(=O)NNC(=O)[C@H](OC)C(=O)O)c1O 1574233487 PEHOYHVJMJTFSI-VIFPVBQESA-N 298.251 -0.739 50 20 CBGD Cc1c(C(=O)NNC(=O)c2cc[nH]n2)cc(CN)n1C 1579526375 KFQCJXQVRMYPNB-UHFFFAOYSA-N 276.300 -0.410 50 20 CBGD Cc1nnc(NNC(=O)c2cc(CN)n(C)c2C)n1C 1579913118 ZSCSRWSLHQBQGC-UHFFFAOYSA-N 277.332 -0.014 50 20 CBGD NCCCC(=O)NNC(=O)CCNC(=O)c1ccco1 1580288977 HCYIENHSEHPIQO-UHFFFAOYSA-N 282.300 -0.714 50 20 CBGD Cc1ccc(C(=O)NN(C)C(N)=O)cc1-c1nn[nH]n1 1592128608 NVKLUJDHXKIPAW-UHFFFAOYSA-N 275.272 -0.170 50 20 CBGD Cc1nc(-c2nn[nH]n2)cc(N2CC[C@@H](B(O)O)C2)n1 1592338001 SFQHJWURPNUAON-SSDOTTSWSA-N 275.081 -0.982 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@H]1C(=O)O)c1ccnnc1 1594783012 RHPPGLMOLGDZLV-JGVFFNPUSA-N 264.241 -0.652 50 20 CBGD CC[C@H](C)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)O 1594947147 ZZNNWIVHCAEUMU-JOYOIKCWSA-N 293.128 -0.014 50 20 CBGD CCN(CCO)NC(=O)CCSCC(=O)O 1596340993 VJQPQDCFPKIEBC-UHFFFAOYSA-N 250.320 -0.460 50 20 CBGD O=C(O)[C@]1(O)CCN(S(=O)(=O)CBr)C1 1601723642 RTNFHWMQGAKADM-LURJTMIESA-N 288.119 -0.810 50 20 CBGD O=C(O)C1(CS(=O)(=O)N2CC[C@@H](B(O)O)C2)CCC1 1608570426 IKATVGVNBSFQJW-MRVPVSSYSA-N 291.134 -0.880 50 20 CBGD Cc1noc2ncc(C(=O)NNC(=O)CO)cc12 182752567 OCRMMHUUHHOODF-UHFFFAOYSA-N 250.214 -0.715 50 20 CBGD CCCNC(=O)CCC(=O)NN(C)C(=O)NCC 272701389 UOQWBYYRVXWMLB-UHFFFAOYSA-N 258.322 -0.015 50 20 CBGD COc1nccnc1NNC(=O)CCCC(N)=O 279359727 WEQMTDKWAHIJLN-UHFFFAOYSA-N 253.262 -0.416 50 20 CBGD COC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)[C@H]1CCCO1 293267110 GAMQKPUQEOUGSU-IWSPIJDZSA-N 270.285 -0.488 50 20 CBGD COC(=O)N(C)NC(=O)c1cnc2nc(O)nc(O)c2c1 495822629 HUIJCJQVEHWFRT-UHFFFAOYSA-N 293.239 -0.221 50 20 CBGD O=C(NCC1(O)CCSCC1)c1cccc(B(O)O)c1 584954203 JKGQNHQVYBUOBI-UHFFFAOYSA-N 295.169 -0.646 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC(CCO)CC1 584967084 FMUYXRGNDRURKH-UHFFFAOYSA-N 277.129 -0.399 50 20 CBGD C[C@@H]1CSC[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584988764 UBFMTECGMVJBAB-HQJQHLMTSA-N 283.133 -0.013 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCN2CC[C@H]1C2 584995640 PBYJBKYBNGPZIY-JTQLQIEISA-N 278.092 -0.964 50 20 CBGD O=S1(=O)CCC[C@@H](NCc2ccccc2B(O)O)C1 585025448 UQBXRFVRFLDRMC-LLVKDONJSA-N 283.158 -0.967 50 20 CBGD C[C@@H](NCc1cccc(B(O)O)c1)[C@H]1CN(C)CCO1 585028429 KCHHFMKKCSCISV-BXUZGUMPSA-N 278.161 -0.825 50 20 CBGD O=S1(=O)CCC[C@H]1CNCc1ccc(B(O)O)cc1 585044543 MIAAJKUPTCRHIB-LBPRGKRZSA-N 283.158 -0.967 50 20 CBGD Cc1nc(C)c(S(=O)(=O)NCB(O)O)s1 585054900 TVSXUYJITKJYGS-UHFFFAOYSA-N 250.110 -0.950 50 20 CBGD CC(C)[C@H](C(=O)NCB(O)O)N1C[C@@H](C)O[C@H](C)C1 585059985 INNRSMGLSBYUEW-GMTAPVOTSA-N 272.154 -0.752 50 20 CBGD O=C(NCB(O)O)c1cc(Br)c2nccn2c1 585067763 UVADMRREUFNAPN-UHFFFAOYSA-N 297.905 -0.161 50 20 CBGD CO[C@@H](C)CCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 726713547 GTKBVTGDFOJLGI-GXSJLCMTSA-N 293.389 -0.208 50 20 CBGD CCn1nc(C(=O)NNC(=O)c2ccncc2)ccc1=O 732049408 UUPAMSMTAHRAAD-UHFFFAOYSA-N 287.279 -0.267 50 20 CBGD O=C(O)C[C@@H]1CCCCN1CC(=O)NNC(=O)C1CC1 739637122 XNJWQUWNGFBOQV-JTQLQIEISA-N 283.328 -0.127 50 20 CBGD CCO[C@H]1C[C@@H]1C(=O)NNC(=O)C(=O)NC(CC)CC 740851275 XKKLBJRUTUEKFG-UWVGGRQHSA-N 285.344 -0.136 50 20 CBGD Cc1nc(SCC(=O)NNC(=O)c2ccc[nH]2)n[nH]1 746102870 JJUOHPWSGHWTDS-UHFFFAOYSA-N 280.313 -0.005 50 20 CBGD O=C(CO)NNC(=O)c1ccc2nc(O)[nH]c2c1 753439554 PVACZFYXYRTWAA-UHFFFAOYSA-N 250.214 -0.978 50 20 CBGD COCCOCCS(=O)(=O)NNC(=O)CC(C)C 754744886 NEJMWCFLGDRHOH-UHFFFAOYSA-N 282.362 -0.354 50 20 CBGD CCOC(=O)CCN(C)[C@@H](C)C(=O)NNC(=O)CC 764236904 VNHPTJPOTMGVQL-VIFPVBQESA-N 273.333 -0.183 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cc(F)cc(F)c1 764300734 WNEGWVAELNXOBY-UHFFFAOYSA-N 287.222 -0.303 50 20 CBGD Cc1ccc(C(=O)NNC(=O)Cn2cnc(C#N)n2)o1 769257574 BKHKLNBJZWPPHT-UHFFFAOYSA-N 274.240 -0.488 50 20 CBGD COC[C@H](O)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C 772229934 FCSBNTZQLDTBAP-IUCAKERBSA-N 290.316 -0.881 50 20 CBGD N#C/C(=C/C1CC1)C(=O)OCc1nc(N)nc(N)n1 786673454 HCMWJLBXZXHXSY-CLTKARDFSA-N 260.257 -0.061 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNc1nc2ccccn2n1 791241276 AMSIRQJZIKQMRX-QMMMGPOBSA-N 274.284 -0.207 50 20 CBGD Cn1nncc1C(=O)NNC(=O)Cc1ccc(F)cc1 798835229 DXXBCWJXRNXNAL-UHFFFAOYSA-N 277.259 -0.042 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1[nH]nnc1C 805546218 FPIYULJTRARGTE-LURJTMIESA-N 269.261 -0.784 50 20 CBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)N2CCN(C)CC2)CCC1=O 807382226 BZBQBIWWCSZSEB-MNOVXSKESA-N 296.371 -0.020 50 20 CBGD COc1cccc([S@](=O)CC(=O)NN(C)C(N)=O)c1 819448931 GKLJEMUNADLHGC-LJQANCHMSA-N 285.325 -0.156 50 20 CBGD CCN(CCO)NC(=O)CCOC1CCOCC1 823865860 ZSXZNHUNFUSXJL-UHFFFAOYSA-N 260.334 -0.083 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1COCCN1C1CCCC1 823935333 PQJPMDCHVGLCAB-WCQYABFASA-N 285.388 -0.026 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)C2(Br)CC2)N1 824856814 KOQFNDAVIPTXIL-YFKPBYRVSA-N 290.117 -0.660 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cc[nH]n1 825795458 LGSSXTVZRNGZGV-VXNVDRBHSA-N 267.289 -0.335 50 20 CBGD CC(=NNC(=O)c1cnccn1)c1cn(CC(=O)O)nn1 825804599 NZIHQIGMRIMYOS-UHFFFAOYSA-N 289.255 -0.693 50 20 CBGD CC1=NO[C@H](C(=O)NNC(=O)c2cnn(C)c2)C1 828087079 CAIJCDAYSWNKNZ-QMMMGPOBSA-N 251.246 -0.654 50 20 CBGD O=C(NNC(=O)c1ccccc1O)N[C@H]1CCNC1 851672335 BYOGSJNMSJQNMH-QMMMGPOBSA-N 264.285 -0.302 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC(S(=O)(=O)CC)C1 852141516 IMHMYLVUZZAZAS-QMMMGPOBSA-N 291.373 -0.949 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)C1(n2cnnn2)CC1 854163989 ODWYWQULFIEWAK-UHFFFAOYSA-N 268.277 -0.282 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCCOC2CCCC2)N1 858192297 KIAAKOCCZRLIDF-SNVBAGLBSA-N 298.343 -0.445 50 20 CBGD CCn1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 861214908 SPSAAODHWSBETK-ZETCQYMHSA-N 280.288 -0.666 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2cnn(CCF)c2)N1 861474798 ONTVRBAQGBUTMG-MRVPVSSYSA-N 298.278 -0.716 50 20 CBGD CC[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)N(CC)CC 862454330 FNZBSSNBHPJIPN-NXEZZACHSA-N 284.360 -0.467 50 20 CBGD CC(C)COC(=O)[C@H](C)NC(=O)c1ccc(B(O)O)cc1 863877702 IGBQHUSISSPJGD-JTQLQIEISA-N 293.128 -0.316 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2c(F)ccc(O)c2O)N1 863935934 YAYYZQKRGAHEQP-ZCFIWIBFSA-N 297.242 -0.724 50 20 CBGD CC(C)C(=O)NNC(=O)/C=C\CN1CCOCC1 864491132 RPIYOCMEGVHFEX-ARJAWSKDSA-N 255.318 -0.322 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H](C)n1cccn1 869909314 QMGPZKDLBZIUTF-SECBINFHSA-N 270.289 -0.746 50 20 CBGD CN(C)CCCCC(=O)NNC(=O)CN1CCCC1=O 913730874 MEBASPNOLUQCGF-UHFFFAOYSA-N 284.360 -0.512 50 20 CBGD CCOCCC(=O)NNC(=O)CN1CCCC1=O 913731163 XHZNKVSHYYJGFK-UHFFFAOYSA-N 257.290 -0.817 50 20 CBGD C=C[C@](C)(O)CC(=O)NNC(=O)CN1CCCC1=O 913733013 SCOYPZLCALGJCA-LBPRGKRZSA-N 269.301 -0.917 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CC[C@H]1CCCO1 914719068 PRYFGVZVQAKXSG-SECBINFHSA-N 271.317 -0.382 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)[C@@H](C)NC(C)=O 919819965 CGDJVZCPBLVJSJ-SECBINFHSA-N 293.323 -0.090 50 20 CBGD CNC(=O)NNC(=O)CCSc1n[nH]c(C)n1 1116181241 MWMCBURUJLOEHH-UHFFFAOYSA-N 258.307 -0.444 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCc1cccs1 1252437966 GYZKGEOXKYZGLN-UHFFFAOYSA-N 271.298 -0.206 50 20 CBGD C=C[C@H](COC)NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1261454087 XWOMTRWSVLWXFQ-IVZWLZJFSA-N 271.317 -0.057 50 20 CBGD O=C(NNC(=O)[C@@H]1[C@H]2CCC[C@H]21)[C@H]1CCS(=O)(=O)C1 1318947909 CQZWEWSQHBYDBV-AXTSPUMRSA-N 286.353 -0.385 50 20 CBGD C#CCCCCNC(=O)NNC(=O)C(=O)NC1CC1 1319099922 XNYWBXCCOBHOCM-UHFFFAOYSA-N 266.301 -0.601 50 20 CBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1F 1320580189 ORVMNHPUHBFIFE-UHFFFAOYSA-N 297.242 -0.607 50 20 CBGD COc1cc(C(=O)NNC(=O)C(=O)NC(C)C)ccc1O 1320603137 GWGNXEHTJPNBDB-UHFFFAOYSA-N 295.295 -0.314 50 20 CBGD O=C(CCc1nc[nH]n1)NNc1nc2ccccn2n1 1320696963 UFKONWDYUNWYKV-UHFFFAOYSA-N 272.272 -0.077 50 20 CBGD CC(=O)NNS(=O)(=O)c1cnc2c(c1)c(C)nn2C 1323971566 NQKSUDFNXUSXGW-UHFFFAOYSA-N 283.313 -0.394 50 20 CBGD CO[C@H](C)CNC(=O)NNC(=O)C(=O)Nc1ccccn1 1328642498 MYQWFUOEIUWXHX-MRVPVSSYSA-N 295.299 -0.615 50 20 CBGD Cn1ccc(NNC(=O)CN2CCCCS2(=O)=O)n1 1333455465 OUGDIOUPIULSGR-UHFFFAOYSA-N 287.345 -0.711 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCc2nnn(C)c2C1 1334201821 KAEMMXRKYVBZBJ-DTWKUNHWSA-N 267.333 -0.736 50 20 CBGD CNc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)CO 1342320522 PMGAMHDKRXEVMK-UHFFFAOYSA-N 268.229 -0.610 50 20 CBGD Cn1cc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)nn1 1549317496 LUWLKNWOSPLBGC-GHMZBOCLSA-N 278.316 -0.872 50 20 CBGD O=C(O)CCCCNC(=O)NNC(=O)c1cn[nH]c1 1606164512 KKNSVIWJPROXEW-UHFFFAOYSA-N 269.261 -0.391 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(C(=O)O)on1 1609880073 VJWSQBNKMSAQLY-PHDIDXHHSA-N 283.240 -0.441 50 20 CBGD NS(=O)(=O)c1ccccc1NNC(=O)CCC(=O)O 1611313665 DBENBCAYUQUVIE-UHFFFAOYSA-N 287.297 -0.358 50 20 CBGD CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841236081 VIPIHFOIKUNGAP-QMMMGPOBSA-N 290.747 -0.482 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@H](C)N(C)C1CC1 66703790 FOHOSRIGMWMVHG-VIFPVBQESA-N 272.349 -0.164 50 20 CBGD Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCN(C)C2=O)o1 84160431 MFCSEXYAXZGHPN-MRVPVSSYSA-N 280.284 -0.237 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)C[C@@H]1CCCOC1 112981557 ZCTMSRZUXBJXAC-JTQLQIEISA-N 269.345 -0.098 50 20 CBGD C[C@@H](O)CN(CCO)CC(=O)NNC(=O)c1ccccc1 289864924 QNRAJMWLFXOJNX-LLVKDONJSA-N 295.339 -0.877 50 20 CBGD COC(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 298316259 VNIVVDWIHRZWLO-AKEJEFCPSA-N 293.279 -0.819 50 20 CBGD CCO[C@@H]1C[C@H]1C(=O)NNC(=O)CNC(=O)c1ccco1 299707575 YBLMYNVXSRMKAI-PSASIEDQSA-N 295.295 -0.418 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 367963415 VMKGGENQTHAZKA-MRVPVSSYSA-N 281.243 -0.609 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)c1cccc(C)n1 373760017 UTMXDIYKTQEXBJ-GFCCVEGCSA-N 292.339 -0.128 50 20 CBGD COC(=O)NNS(=O)(=O)c1cncc(OC)c1 491312917 YQSBROYNOHDOMB-UHFFFAOYSA-N 261.259 -0.361 50 20 CBGD COC(=O)N(C)NC(=O)C(F)(F)C(=O)N1CCOCC1 496036544 PODGHPFMYWXSEU-UHFFFAOYSA-N 295.242 -0.790 50 20 CBGD C[C@@H](CNC(=O)c1ccc(B(O)O)c(F)c1)N(C)C 584935539 ODWBKLPMUIVHFY-QMMMGPOBSA-N 268.097 -0.815 50 20 CBGD CO[C@@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1(C)C 584958643 VMYBNNDQZOQPMP-VXGBXAGGSA-N 277.129 -0.090 50 20 CBGD CN1C[C@@H]2CCCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2C1 585000290 JCQDGFBHPRPUKF-GXTWGEPZSA-N 288.156 -0.467 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@H]2CC[C@@H]2C1 585007465 NEPSYXRWVXVTSK-RKDXNWHRSA-N 263.077 -0.013 50 20 CBGD OB(O)c1ccc(CNC[C@@H](O)COc2ccccc2)o1 585018483 WEYIGJVTQUSJDQ-LLVKDONJSA-N 291.112 -0.511 50 20 CBGD C[C@@H]([C@@H](C)NCc1cccc(B(O)O)c1)n1cncn1 585020519 ZRHIUQDIIVFWDY-MNOVXSKESA-N 274.133 -0.303 50 20 CBGD CCN(CC)CCOCCNCc1ccccc1B(O)O 585034374 IOGKYJCZMPWLQN-UHFFFAOYSA-N 294.204 -0.186 50 20 CBGD Cc1nnc(CCNCc2ccc(B(O)O)o2)s1 585040207 CAIIBCDHMHCMCF-UHFFFAOYSA-N 267.119 -0.548 50 20 CBGD CCN1C[C@H](NCc2ccc(B(O)O)cc2)CC1=O 585042722 CKMXNCGPAASDIW-GFCCVEGCSA-N 262.118 -0.923 50 20 CBGD C[S@](=O)[C@H]1CCC[C@H](NCc2ccc(B(O)O)o2)C1 585047461 PPTCQHLTAYVGJT-KKRWKGTOSA-N 285.174 -0.261 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc2c(c1)CCCO2 585056082 OOKTYARMOAPWDS-UHFFFAOYSA-N 271.103 -0.698 50 20 CBGD CCCCN(C)S(=O)(=O)N1CC[C@@H](B(O)O)C1 585057269 BBQSSOHMVAKPJA-SECBINFHSA-N 264.156 -0.488 50 20 CBGD CC(=O)c1cccc(O[C@H](C)C(=O)NCB(O)O)c1 585063013 YPBLUMXFMBNQBR-SECBINFHSA-N 265.074 -0.215 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccc(O)cc2O)cn1 735445993 NZFLYBZBXYVGLP-UHFFFAOYSA-N 276.252 -0.094 50 20 CBGD COCCN(CCO)[C@@H](C)C(=O)NNC(=O)CC(C)C 738323234 CGRGOZRWZGJXOK-NSHDSACASA-N 289.376 -0.491 50 20 CBGD CN(C)S(=O)(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 742027637 XVWMJIQOPJECPL-UHFFFAOYSA-N 288.285 -0.364 50 20 CBGD CC(C)OCCC(=O)NNC(=O)N1CCOCC1 745985890 ATSYPZVTCFINEI-UHFFFAOYSA-N 259.306 -0.126 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 749358233 DAWDNESEFXUBCE-MRVPVSSYSA-N 294.315 -0.497 50 20 CBGD COC[C@](C)(O)C(=O)NNc1nccc(OC)n1 754966706 RKLXUAPQMOODOU-JTQLQIEISA-N 256.262 -0.674 50 20 CBGD O=C(CC1CCSCC1)NNC(=O)C(=O)NC1CC1 761835950 MISZHJNHKHZAJZ-UHFFFAOYSA-N 285.369 -0.054 50 20 CBGD CON(C)CC(=O)NNC(=O)c1cccc(C#N)c1 768702170 PXRISZLPTHJLNO-UHFFFAOYSA-N 262.269 -0.188 50 20 CBGD O=C(CN[C@H](CO)C1CC1)NNC(=O)c1ccccc1 771807134 KVHHQWDFMPOCJS-GFCCVEGCSA-N 277.324 -0.192 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@@H]1CCCCS1(=O)=O 772520547 QBMHOLMRQNISQX-QMMMGPOBSA-N 277.346 -0.308 50 20 CBGD COCCCN(CCO)CC(=O)NNC(=O)C(C)(C)C 782579478 QFJRUSWWMOYJCS-UHFFFAOYSA-N 289.376 -0.489 50 20 CBGD O=C1CN(S(=O)(=O)CBr)CN1C1CC1 790461825 APNOCIOXYPOYMS-UHFFFAOYSA-N 283.147 -0.067 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NNc1nc2ccccn2n1 791252076 HFYCGPZFSQDDMH-MRVPVSSYSA-N 297.340 -0.147 50 20 CBGD C[C@H]1OCC[C@@]12CN(CC(=O)NNC(=O)C1CC1)CCO2 791588071 AHYDDJWIPJRBSD-QMTHXVAHSA-N 297.355 -0.576 50 20 CBGD COCCC(COC)=NNC(=O)CN1CCCC1=O 812224779 JUMNMYXQMXJNRU-UHFFFAOYSA-N 271.317 -0.236 50 20 CBGD COCCO[C@H](C)C(=O)NN=C1COCCOC1 814864976 LXPBTAMIQKVPOY-SECBINFHSA-N 260.290 -0.443 50 20 CBGD CN1CCN(C(=O)NN=C2CCN(CCO)CC2)CC1 819809742 MLXDKTMSXGSTRO-UHFFFAOYSA-N 283.376 -0.613 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccc2c(c1)N(C)C(=O)CO2 823908229 VCGYKSREPLNEOM-SECBINFHSA-N 293.323 -0.001 50 20 CBGD O=C(NN=c1cc[nH]cc1)c1ccc(-c2nn[nH]n2)nc1 826449356 OIPMARBKELKOMG-UHFFFAOYSA-N 282.267 -0.165 50 20 CBGD O=C(NNc1cccc(-c2nn[nH]n2)c1)c1nc[nH]n1 826449407 QMUCZZFKVRMXTK-UHFFFAOYSA-N 271.244 -0.258 50 20 CBGD COc1cc(C)nc(NNC(=O)NC[C@H]2CNCCO2)n1 842012570 ZAGJPIQLCLJAGC-SECBINFHSA-N 296.331 -0.592 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(O)CCSCC1 843980860 XNIYEGKFWMIFRI-IUCAKERBSA-N 288.369 -0.183 50 20 CBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)OCC(F)(F)F 856018812 HLPHHEZLZDFXFR-UHNVWZDZSA-N 283.206 -0.182 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(Cl)o2)N1 862450476 UTANALVPDXDOGI-YFKPBYRVSA-N 271.660 -0.027 50 20 CBGD CN1CCCC[C@@H]1C(=O)NNC(=O)c1cccnn1 882060905 YKUOYPKDLAFEGK-SNVBAGLBSA-N 263.301 -0.278 50 20 CBGD CCCN1C[C@H](C(=O)NNC(=O)C2CCOCC2)CC1=O 883072019 WJHHODNNJCIOQV-LLVKDONJSA-N 297.355 -0.181 50 20 CBGD CCOC(=O)/C(C#N)=C\NCCN1CCNC1=O 887274114 KPCYBCSOQKADDA-HJWRWDBZSA-N 252.274 -0.428 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCCc2nn[nH]c21 910147601 NZHGIEZDLKMUQJ-YUMQZZPRSA-N 253.306 -0.432 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1CCCSC1 913732888 MRMXYHBMTMEPIL-VIFPVBQESA-N 285.369 -0.101 50 20 CBGD CN1CC[C@H]1CNC(=O)NNC(=O)[C@@H]1CCCCO1 925425676 SWBXFMKSQALAEP-UWVGGRQHSA-N 270.333 -0.410 50 20 CBGD CCCCS(=O)(=O)CC(=O)NN(C)C(=O)OC 935907738 BLOHLLKUJSSLLJ-UHFFFAOYSA-N 266.319 -0.069 50 20 CBGD CCOCC(=O)NNC(=O)NCCC1(O)CCOCC1 1117469087 IJLYYWNUMPHJTA-UHFFFAOYSA-N 289.332 -0.715 50 20 CBGD COCCCNC(=O)NNC(=O)c1cnc2n1CCC2 1118636799 VOJSFXVRALPBSU-UHFFFAOYSA-N 281.316 -0.190 50 20 CBGD COC(=O)c1ncoc1CCC(=O)NNC(=O)C(C)(C)O 1118696656 KTNXAIYRTAREKR-UHFFFAOYSA-N 299.283 -0.688 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCCN(C(N)=O)C1 1119581783 MXRPBVITPREMBN-IUCAKERBSA-N 258.322 -0.879 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccnc(C)n1 1317993903 GGQWNRCIQYAQNO-UHFFFAOYSA-N 267.289 -0.234 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCOc1ccc(F)cc1 1318877384 QNFATUAWIROEPG-UHFFFAOYSA-N 299.258 -0.292 50 20 CBGD CCCCNC(=O)NNC(=O)CCc1nc[nH]n1 1318957168 RCIHUXVTZBDFJQ-UHFFFAOYSA-N 254.294 -0.132 50 20 CBGD COc1csc(C(=O)NNC(=O)C(=O)NC2CC2)c1 1319012283 IYOJBTAUGZXLOQ-UHFFFAOYSA-N 283.309 -0.204 50 20 CBGD C=C[C@H](COC)NC(=O)NNC(=O)[C@@H](C)OCCOC 1320310539 LUUGJOOJCBLQCC-NXEZZACHSA-N 289.332 -0.431 50 20 CBGD CCc1ccc(NC(=O)C(=O)NNC(=O)CCO)cc1 1320358118 NKAAYTSSTHBLDA-UHFFFAOYSA-N 279.296 -0.283 50 20 CBGD Cc1nnc(NNC(=O)C(=O)N2CCC(C)CC2)nc1O 1321312413 VUVMZENCVZKZJZ-UHFFFAOYSA-N 294.315 -0.413 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=O)c1c[nH]nc1C 1321707918 QMZKTHYHBHONAL-ZCFIWIBFSA-N 253.262 -0.996 50 20 CBGD Cn1cncc1C(=O)NNC(=O)N1CCOCC1 1324042039 JLPGYYCBCIKVEW-UHFFFAOYSA-N 253.262 -0.893 50 20 CBGD O=C(NNc1ncncc1F)[C@@H]1CCS(=O)(=O)C1 1325043532 YGPMPSYOPUOGCP-ZCFIWIBFSA-N 274.277 -0.507 50 20 CBGD COCCN(C)NC(=O)C[C@H]1CCCS(=O)(=O)C1 1326783903 HUUIAJYBVAWVQL-SNVBAGLBSA-N 278.374 -0.189 50 20 CBGD COCCN(C)NC(=O)CS[C@H]1CCS(=O)(=O)C1 1329444862 GCOWLOITEHVNMR-VIFPVBQESA-N 296.414 -0.484 50 20 CBGD CCN1CCN(CCC(=O)N2CC[C@@H](B(O)O)C2)CC1 1331827085 NWLFDMDDGBRVEQ-GFCCVEGCSA-N 283.181 -0.911 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCCN1C(=O)C1CC1 1334997149 NFNBZRCWALJGCA-KOLCDFICSA-N 269.345 -0.269 50 20 CBGD CCN(CCO)NC(=O)COCc1cc(C)on1 1337267645 CXHNBOIKCQCJRN-UHFFFAOYSA-N 257.290 -0.155 50 20 CBGD COCCN(C)NC(=O)[C@H]1CCc2nnn(C)c2C1 1346490967 FPZAIHWKNIHYLU-VIFPVBQESA-N 267.333 -0.471 50 20 CBGD C[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C(F)F 1548717350 NUBVLWKXLMSOEM-RXMQYKEDSA-N 261.008 -0.111 50 20 CBGD C[C@@]1(C(=O)NNC(=O)C2CCC2)C[C@H](N)CCO1 1576350185 MCBCVUXQZSOLBK-SKDRFNHKSA-N 255.318 -0.170 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H](CN)C1CC1 1579053777 SMPZWACEXNTRTA-PSASIEDQSA-N 288.348 -0.894 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1C[C@H](N)C1(C)C 1579057248 WVZMCXURYKPRIS-IUCAKERBSA-N 273.333 -0.830 50 20 CBGD NCCCCNC(=O)NNC(=O)c1cccnn1 1580295321 YNZSIRGDHFIVPR-UHFFFAOYSA-N 252.278 -0.841 50 20 CBGD NCCOCC(=O)NNC(=O)CCOc1ccccc1 1580312424 KXTYSJUKDLMWSL-UHFFFAOYSA-N 281.312 -0.422 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)[C@H]1CCN1 1580736591 YTIWNMFQUZCKLH-JQCXWYLXSA-N 251.286 -0.889 50 20 CBGD O=C(NNC(=O)c1ncon1)C1=C2CCN=C2NC=C1 1580737702 WEPRAAJXNXVKEJ-UHFFFAOYSA-N 274.240 -0.954 50 20 CBGD CC(=NNC(=O)[C@@H]1CCO[C@H]1C)c1cn(CC(=O)O)nn1 1589010573 CGMAHYRNQMEMSR-DTWKUNHWSA-N 295.299 -0.372 50 20 CBGD Cc1nnc(NNC(=O)[C@@H](C(=O)O)C2CC2)nc1O 1594492418 CWNGQLQGLKQJOQ-LURJTMIESA-N 267.245 -0.560 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@H]2CC[C@H]2C(=O)O)CC1 1598608682 DKPGEVWGKWALHV-DTWKUNHWSA-N 284.316 -0.915 50 20 CBGD Cc1cc(F)cc(NC(=O)C(=O)NNC(=O)C(=O)O)c1 1600231807 PUEDOZUDNRIYRU-UHFFFAOYSA-N 283.215 -0.695 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)[C@H]1CC[C@H]1C(=O)O 1601460370 AKGYUIDVKBGSBG-CRCLSJGQSA-N 283.206 -0.010 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)CNc1ccccc1 104829001 RIFGMPORAHOOFN-VIFPVBQESA-N 278.312 -0.230 50 20 CBGD C[C@@H](CN1CCOCC1)NC(=O)NNc1cccnn1 172488128 BZNBPXSEHRCFIE-JTQLQIEISA-N 280.332 -0.177 50 20 CBGD CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1cc(C)n[nH]1 270636179 JYJCRGFBVRXADE-SNVBAGLBSA-N 279.300 -0.510 50 20 CBGD C[C@@H](O)C(=O)NNC(=O)CNC(=O)c1cccs1 276425204 WEBCZWIRKNXKMT-ZCFIWIBFSA-N 271.298 -0.994 50 20 CBGD COC(=O)N(C)NC(=O)CNC(=O)Cc1ccc(O)cc1 286395833 OYVRSLURJMMXSC-UHFFFAOYSA-N 295.295 -0.220 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@H]2CC23CCOCC3)CC1 377568513 SRYVGBGXFDDECR-LLVKDONJSA-N 296.371 -0.209 50 20 CBGD CCN1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)C1 584934611 VFVSWRNFZHBXSA-NSHDSACASA-N 276.145 -0.562 50 20 CBGD CC[C@@H](C)N(C)CCNC(=O)c1ccc(B(O)O)cc1 584939783 KVOZHKBCTJNQRU-LLVKDONJSA-N 278.161 -0.174 50 20 CBGD C[C@H]1CCN(C)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584945746 KQGZFQPHMKFCDO-JTQLQIEISA-N 294.135 -0.328 50 20 CBGD C[C@@H](O)[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)c(F)c1 584970884 IOQYGGVIDZJFJN-RNCFNFMXSA-N 295.119 -0.119 50 20 CBGD C[C@H](C[S@@](C)=O)NC(=O)c1cc(B(O)O)ccc1F 584972728 FSEYXKXMXUKBFB-QOLSBQFWSA-N 287.121 -0.998 50 20 CBGD CN(CCCCCO)C(=O)c1ccc(B(O)O)cc1 584983103 MHIZQIJNAXQSMS-UHFFFAOYSA-N 265.118 -0.399 50 20 CBGD OB(O)c1cccc(CNCCCCn2ccnn2)c1 585035560 WEMICDCCJFOHPV-UHFFFAOYSA-N 274.133 -0.472 50 20 CBGD CC[C@H](NCc1ccc(B(O)O)o1)[C@H](O)C(F)(F)F 585035664 WMNYVSHWYUBNCM-CBAPKCEASA-N 281.039 -0.249 50 20 CBGD Cc1cc(S(=O)(=O)NCB(O)O)cc(C)c1F 585056616 ZHYSCTFSVYPYOT-UHFFFAOYSA-N 261.083 -0.267 50 20 CBGD COc1ccc(Cl)cc1S(=O)(=O)NCB(O)O 585059379 LMDGDWYGDFDYRN-UHFFFAOYSA-N 279.510 -0.361 50 20 CBGD O=C(NCB(O)O)c1c(F)c(F)cc(F)c1F 585059603 UHFYWMVZFPGQGU-UHFFFAOYSA-N 250.944 -0.015 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCCNC(=O)O)cn1 739023849 ZLFGOJFKIKKLRS-UHFFFAOYSA-N 269.261 -0.771 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)C1=COCCO1 747323672 GUUOLSBAHXOABK-UHFFFAOYSA-N 263.253 -0.340 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc([N+](=O)[O-])o1 755275303 FOYWKDMDQSLXHT-UHFFFAOYSA-N 279.212 -0.085 50 20 CBGD CN(C)CC(=O)NN=Cc1cc(C(N)=O)cs1 755889497 MESZQESKZHTNMT-UHFFFAOYSA-N 254.315 -0.141 50 20 CBGD CCOC(=O)[C@H](C)N(C)CC(=O)NNC(=O)C1CC1 761873239 JOZQUWIBCWNRQY-QMMMGPOBSA-N 271.317 -0.573 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cnc2sccn2c1=O 768262411 VWRQTDIREDJXAU-UHFFFAOYSA-N 296.308 -0.712 50 20 CBGD O=C(CO)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 777781691 BGLWBBZESGCKAF-UHFFFAOYSA-N 284.184 -0.744 50 20 CBGD NS(=O)(=O)c1ccccc1NNC(=O)c1cnsn1 788223659 LOAKUTFTPCERLX-UHFFFAOYSA-N 299.337 -0.058 50 20 CBGD CO[C@@H](C(=O)NNc1nccn(C)c1=O)C1CC1 792649712 XFSOLWPWAQOUAI-MRVPVSSYSA-N 252.274 -0.352 50 20 CBGD COC1(C(=O)NNC(=O)[C@@H]2CCCCO2)CCOCC1 803659497 SOXGHDGKYDXLPG-JTQLQIEISA-N 286.328 -0.102 50 20 CBGD COCCCNC(=O)NNC(=O)COCc1ccccn1 805171672 OYFMENWMYFSFRA-UHFFFAOYSA-N 296.327 -0.035 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCc1ncccn1 812605823 BQXCOBOETSNKGI-SECBINFHSA-N 294.311 -0.102 50 20 CBGD CC(C)CC(=O)NNS(=O)(=O)N=S(C)(C)=O 821132745 XRKJDKYYJXEVRO-UHFFFAOYSA-N 271.364 -0.374 50 20 CBGD Cc1ccn(CC(=O)NNC(=O)N2CCN(C)CC2)n1 830240622 GGJJTUUZDZJLCP-UHFFFAOYSA-N 280.332 -0.820 50 20 CBGD CCCNC(=O)NNC(=O)[C@H]1CC(=O)N(CCC)C1 840290785 HJBMCWDVPVUJHS-VIFPVBQESA-N 270.333 -0.015 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2nn[nH]c2n1 843972225 UGWVJSFLXIQRBG-RNFRBKRXSA-N 290.283 -0.461 50 20 CBGD Cc1nc(N)nc(C)c1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843979959 QSKYKUGKOCMQEN-RKDXNWHRSA-N 293.327 -0.138 50 20 CBGD C=C[C@H](C)ONC(=O)NNC(=O)[C@H](C)OCCOC 845630543 RXCRGESHLALYOD-IUCAKERBSA-N 275.305 -0.126 50 20 CBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)c1ccncc1 847281075 RVALGLUCUOTDBM-BDAKNGLRSA-N 262.269 -0.646 50 20 CBGD CC(C)(C)C(=O)NCCCC(=O)NNS(C)(=O)=O 849313125 VOTGPSUXYSOMLQ-UHFFFAOYSA-N 279.362 -0.491 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)Cc1cn(C)nn1 852553094 LTRCJZASPGQNOR-SNVBAGLBSA-N 296.375 -0.171 50 20 CBGD CC(C)CN1C[C@@H](C(=O)NNC(=O)c2cc[nH]n2)CC1=O 855359270 LVOYHFLUAXQGBY-VIFPVBQESA-N 293.327 -0.325 50 20 CBGD COc1nccnc1NNC(=O)Cn1cc([C@H](C)O)nn1 857539786 DOMZOPBGCZUNEU-ZETCQYMHSA-N 293.287 -0.727 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2CCOC(=O)N2)n1 859795931 KUYZZFVCQZHBFE-ZETCQYMHSA-N 281.272 -0.265 50 20 CBGD CN1C(=O)CN(CC(=O)NN=c2cc[nH]cc2Cl)C1=O 860854922 MKDHAPLMWUKCEX-UHFFFAOYSA-N 297.702 -0.506 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(O)ncn1 862094964 FUVCOFJKEZPFHE-RQJHMYQMSA-N 266.257 -0.632 50 20 CBGD COC1CC(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1 862096213 VKXODHGPDZQJDF-SEZDTBSWSA-N 256.302 -0.016 50 20 CBGD O=C(CC[C@@H]1CCCO1)NNC(=O)[C@@H]1CCC(=O)N1 862450882 CSXUETHYZMNLPO-IUCAKERBSA-N 269.301 -0.628 50 20 CBGD CCC(=O)N1CCC(=NNC(=O)[C@H]2CCC(=O)N2)CC1 863145580 ONUFLEYJVCVRJE-SNVBAGLBSA-N 280.328 -0.230 50 20 CBGD COC(=O)[C@@H](C)CN(C)C(=O)c1ccc(B(O)O)cc1 863872414 GUNYUXXSRJNBER-VIFPVBQESA-N 279.101 -0.753 50 20 CBGD CCC[C@@H](NC(=O)c1cccc(B(O)O)c1)C(=O)OC 863878113 LFEMPLHQQZBGHD-LLVKDONJSA-N 279.101 -0.562 50 20 CBGD C[C@H](NC(=S)NNC(=O)Cc1nc[nH]n1)C1CC1 869219239 SZHWFEINGATGHU-LURJTMIESA-N 268.346 -0.359 50 20 CBGD O=C(NCCO[C@H]1CCOC1)c1cc(B(O)O)ccc1F 885707447 MXNYZYAMCQEHQY-JTQLQIEISA-N 297.091 -0.959 50 20 CBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=S)NC(C)(C)C 899995931 JWISZTFFIDJZHF-NTSWFWBYSA-N 274.346 -0.223 50 20 CBGD C[C@]1(C(=O)NCC(=O)NCC#N)C[C@H]1Br 908176488 PVLIUWYLVBQPPH-MUWHJKNJSA-N 274.118 -0.084 50 20 CBGD CCNS(=O)(=O)c1cccc(C(=O)NNC(C)=O)c1 913173015 CJBCTAACXNPJHK-UHFFFAOYSA-N 285.325 -0.234 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccc[nH]1 1119149954 LEVLHGDYAYRONZ-IONNQARKSA-N 279.300 -0.315 50 20 CBGD O=C(CCO)NNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 1254883240 YIQIMGUWRYXAGJ-JTQLQIEISA-N 297.315 -0.403 50 20 CBGD O=C(NNC(=S)Nc1ccccn1)[C@@H]1COCCO1 1261916610 YOCYKHMQADDOGQ-QMMMGPOBSA-N 282.325 -0.185 50 20 CBGD O=C(CCN1CCCC1=O)NNC(=O)Cc1cccnc1 1318281248 DXPQDOCGORBMGM-UHFFFAOYSA-N 290.323 -0.216 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCNC(=O)C2)cc1 1319468534 CHECXHJGWUGEEB-SNVBAGLBSA-N 291.307 -0.018 50 20 CBGD CN1N=C(C(=O)NNc2ncc(F)cn2)CCC1=O 1320309488 QWPZWSYMBFOUNH-UHFFFAOYSA-N 266.236 -0.333 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)NC(C)C)cc(O)n1 1320674168 ANBCEHYMSGLWFM-UHFFFAOYSA-N 280.284 -0.619 50 20 CBGD CO[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)c1cnn(C)c1 1322586309 RJCFNCKOUIWMCX-LLVKDONJSA-N 292.299 -0.779 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccc(S(N)(=O)=O)o1 1324003222 FCXGZXPQIOXCQI-UHFFFAOYSA-N 290.301 -0.767 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)o1 1324645603 HZEILBQWUUSYQD-SSDOTTSWSA-N 297.292 -0.653 50 20 CBGD COCCN(C)NC(=O)C(=O)c1c(C)nn(C)c1C 1327096110 KZTMFERFJKUPKN-UHFFFAOYSA-N 268.317 -0.171 50 20 CBGD O=C(NNc1ncccc1F)c1cnn(C[C@H](O)CO)c1 1329290303 DLXVZPWOTQPDBH-VIFPVBQESA-N 295.274 -0.473 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCCn1cncn1 1332376014 YNSIMLYRGATGGI-UHFFFAOYSA-N 277.288 -0.449 50 20 CBGD CCn1nncc1CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 1332649092 BKVKUBOZQTWIBG-WPRPVWTQSA-N 296.331 -0.447 50 20 CBGD C[C@@H](CCN(C)C)NC(=O)NNC(=O)c1cccnn1 1333586349 DKKFUBGYRALOCB-VIFPVBQESA-N 280.332 -0.239 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@@]1(F)CCOC1 1333778668 NSPKMIWOVPZHFZ-LLVKDONJSA-N 293.364 -0.011 50 20 CBGD CN(CC1CCC1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1343100007 RDISLINAAFHDBP-VIFPVBQESA-N 268.317 -0.262 50 20 CBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)c1ccccc1 1344359635 CJMLWIGPJZDSLC-UHFFFAOYSA-N 289.291 -0.361 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H](CO)CC(F)(F)F 1348121795 ANRLROMBZKTBPG-LURJTMIESA-N 295.221 -0.333 50 20 CBGD C[S@](=O)C1(CNC(=O)NNC(=O)c2cn[nH]c2)CCC1 1351351139 IKCJEGPDTLEHBV-FQEVSTJZSA-N 299.356 -0.345 50 20 CBGD NCC1(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCCCC1 1574270316 BXGCCXCNBXLXQM-SNVBAGLBSA-N 296.371 -0.288 50 20 CBGD CCN(CCO)NC(=O)c1cccc(-c2nn[nH]n2)c1 1590714531 KDFVAUZSFOICCM-UHFFFAOYSA-N 276.300 -0.174 50 20 CBGD C[C@@H]1CC[C@H](C(=O)NNC(=O)c2cnc(C(=O)O)cn2)O1 1594216184 OLYXNWKLXFEVRP-HZGVNTEJSA-N 294.267 -0.497 50 20 CBGD O=C(CN1CCOCC1)NNc1ncccc1C(=O)O 1594695928 IGSPFVGQWGIRRK-UHFFFAOYSA-N 280.284 -0.445 50 20 CBGD CCOC(=O)c1cc(C=NNC(=O)NCC(=O)O)[nH]n1 1596703985 LMHFSBZIYXULKC-UHFFFAOYSA-N 283.244 -0.696 50 20 CBGD Cc1cc(F)ccc1NC(=O)C(=O)NNC(=O)C(=O)O 1600234309 VYLFUUHAQFDEPU-UHFFFAOYSA-N 283.215 -0.695 50 20 CBGD O=C(O)C1(O)CN(S(=O)(=O)CCCCl)C1 1601726108 DIFGWXIFJNWTDE-UHFFFAOYSA-N 257.695 -0.924 50 20 CBGD CC(=O)NNC(=O)Nc1ccc(C(=O)NCC(=O)O)cc1 1603052860 VXKZZOSTBDXXAP-UHFFFAOYSA-N 294.267 -0.326 50 20 CBGD CCO[C@H]1C[C@@H]1C(=O)NN=Cc1c(C(=O)O)cnn1C 1776102433 PLNRPZZQKQZFLE-XVKPBYJWSA-N 280.284 -0.007 50 20 CBGD O=C(NNc1ccccc1[N+](=O)[O-])c1n[nH]c(=O)[nH]1 48733021 VHWLDDYSPODDCI-UHFFFAOYSA-N 264.201 -0.237 50 20 CBGD CCOCC(=O)NN[C@H](C(N)=O)c1ccccc1 66583760 YSZBCXNJASYMHJ-NSHDSACASA-N 251.286 -0.130 50 20 CBGD O=C(NCCNS(=O)(=O)CBr)C1CC1 163923076 ITILTSJBGACWDC-UHFFFAOYSA-N 285.163 -0.216 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)c2ccc(C)o2)C1 191898706 TYYFXUOPLKTRGO-UHFFFAOYSA-N 265.269 -0.173 50 20 CBGD CN(C)c1ccnc(C(=O)NNC(=O)C(C)(C)O)c1 192926904 RGJFMNQYPROIQZ-UHFFFAOYSA-N 266.301 -0.321 50 20 CBGD CCCNC(=O)/C(C#N)=C/c1cn(C)c(=O)n(C)c1=O 193112301 BLEPOGZXHOPQQG-RMKNXTFCSA-N 276.296 -0.483 50 20 CBGD CCN(C)C(=O)CNC(=O)NNc1nc(C)cc(OC)n1 274959299 TZKIQGBZCCSLTP-UHFFFAOYSA-N 296.331 -0.102 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 279716021 BFKSMBHEJXXELV-JGVFFNPUSA-N 295.299 -0.730 50 20 CBGD Cc1cc(C)nc(NNC(=O)C[C@@H]2COCCN2)n1 285643599 GFVVEJMHLOVQRZ-SNVBAGLBSA-N 265.317 -0.085 50 20 CBGD CO[C@](C)(C(=O)NNc1ccc(C(N)=O)nn1)C1CC1 291828889 DQBIKVFUPKIYCZ-LBPRGKRZSA-N 279.300 -0.166 50 20 CBGD CC[C@@H](OC)C(=O)NNC(=O)C(=O)N1CCCC1 299529857 YZNZAFXUAPQJBX-MRVPVSSYSA-N 257.290 -0.819 50 20 CBGD COC[C@@](C)(O)CNS(=O)(=O)CCCCl 382563652 MOGJWKZQRUNCHM-QMMMGPOBSA-N 259.755 -0.068 50 20 CBGD OB(O)c1ccc(OCc2nnnn2CC2CC2)cc1 584911029 WDEXZVKGTJHVSW-UHFFFAOYSA-N 274.089 -0.658 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@H](O)C1CCOCC1 584911034 GQRYZGLITFAELZ-GFCCVEGCSA-N 279.101 -0.908 50 20 CBGD C[C@H]1CN(C)C[C@@H]1NC(=O)c1cc(B(O)O)ccc1F 584957914 KGKKTVGJMWMJJH-UFBFGSQYSA-N 280.108 -0.815 50 20 CBGD O=C(NCCCC1(O)CCC1)c1ccc(B(O)O)c(F)c1 585000897 QJVHMOYERRQDCQ-UHFFFAOYSA-N 295.119 -0.070 50 20 CBGD O=C(NCCOCC1CCC1)c1cccc(B(O)O)c1 585003209 HNIVFBUPQPOZTK-UHFFFAOYSA-N 277.129 -0.087 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@H]2CCOC[C@@H]2C1 585005000 UPYCNWXNQKTIHU-MNOVXSKESA-N 293.103 -0.386 50 20 CBGD CCc1nn(C)c(OC)c1CNCc1ccc(B(O)O)o1 585033845 GTUKPGAGWPJYKO-UHFFFAOYSA-N 293.132 -0.446 50 20 CBGD Cn1ccc(CCNCc2ccccc2B(O)O)n1 585035246 QIOZWFQXZAQXLR-UHFFFAOYSA-N 259.118 -0.568 50 20 CBGD CN(C)c1nccc(CNCc2cccc(B(O)O)c2)n1 585035322 SEJHTMARLHKNQP-UHFFFAOYSA-N 286.144 -0.488 50 20 CBGD CCCN1C[C@H](NCc2ccc(B(O)O)cc2)CC1=O 585048305 NNUUHVZZBQHGCW-CYBMUJFWSA-N 276.145 -0.533 50 20 CBGD O=C(CCNC(=O)c1ccc(F)cc1)NCB(O)O 585062980 YBVVKJYJZCPBME-UHFFFAOYSA-N 268.053 -0.926 50 20 CBGD CC(=O)NNC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O 726621215 QPTHJPKGOWUQIM-SSDOTTSWSA-N 282.300 -0.593 50 20 CBGD CC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2c[nH]nc2C)C1 732082347 BKMLSPIRBPNFRR-SNVBAGLBSA-N 293.327 -0.262 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cncs1 734748420 MPVNWOGRPILTFV-SSDOTTSWSA-N 290.370 -0.079 50 20 CBGD CCOCC(=O)NNC(=O)NC1CCN(C(=O)O)CC1 737162184 NWYHSDBEAWPYDO-UHFFFAOYSA-N 288.304 -0.504 50 20 CBGD Cn1c(NNC(=O)CNC(=O)O)nc2ccccc2c1=O 738402781 BNXLJXDNPWBCJD-UHFFFAOYSA-N 291.267 -0.356 50 20 CBGD COc1ncnc(N)c1C=NNC(=O)c1cnn(C)c1 747632802 QZBNAMLNVDAAPW-UHFFFAOYSA-N 275.272 -0.435 50 20 CBGD O=C(NNC(=O)c1ccccc1)C1=NN2CCCN=C2N1 748013567 NAGANMAUCRFMJE-UHFFFAOYSA-N 286.295 -0.574 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(OC(C)=O)CC1 753187388 CYGWIGVJGUNAIP-VIFPVBQESA-N 285.344 -0.040 50 20 CBGD O=C(CO)NNC(=O)Nc1cccc2c1OCO2 757997489 ZFXMRXJVAAVLAG-UHFFFAOYSA-N 253.214 -0.440 50 20 CBGD O=C(CO)NNC(=O)C(=O)c1ccc(Cl)s1 760872788 IPEKCICJTPYERE-UHFFFAOYSA-N 262.674 -0.276 50 20 CBGD COC(=O)CCCC(=O)NNc1nccn(C)c1=O 764459188 XKCQDOQXBYOWHH-UHFFFAOYSA-N 268.273 -0.433 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNc1ncc(F)cn1 807169388 CZUDROXYPFJXLZ-SSDOTTSWSA-N 253.237 -0.320 50 20 CBGD Cc1cc(C#N)cnc1C(=O)NNC(=O)C(C)(C)O 816359545 ABCDYBJBYPTZMJ-UHFFFAOYSA-N 262.269 -0.206 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CC[C@@H]2C(N)=O)n1 816827091 DULKIDPPEFPZBM-UWVGGRQHSA-N 293.327 -0.841 50 20 CBGD C[C@H](CO)N(C)NC(=O)C(=O)c1ccc(O)cc1 823928759 RCWXLOCLLKMCAS-MRVPVSSYSA-N 252.270 -0.081 50 20 CBGD Cc1cc(C(=O)NN(C)[C@@H](C)CO)ccc1-n1cnnn1 823976951 LONVIIYXGRIGKH-JTQLQIEISA-N 290.327 -0.072 50 20 CBGD CNC(=O)c1ccc(S(=O)(=O)NNC(=O)O)cc1 828566351 HZRHPGRABXZRQO-UHFFFAOYSA-N 273.270 -0.493 50 20 CBGD COC[C@@](C)(CC(=O)O)NCC(=O)NNC(=O)C1CC1 831572866 IRXUKXLORPWDJS-GFCCVEGCSA-N 287.316 -0.987 50 20 CBGD CC(C)[C@@H](C(=O)NNC(=O)c1ncccn1)N(C)C 841445745 NWNQUNLFEBPUFG-VIFPVBQESA-N 265.317 -0.176 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H]1CC[C@H]1C(N)=O 847392181 NYJXZAJAAMCOIY-SFYZADRCSA-N 256.306 -0.372 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=S)N[C@H](C)C1CC1 855094698 FLSJXJKBLHHUJS-VXNVDRBHSA-N 275.374 -0.058 50 20 CBGD Cc1nccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 860932741 FSCUAASBLYUSCJ-SSDOTTSWSA-N 278.272 -0.784 50 20 CBGD CC(C)COCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862452326 VPHZTSAPSZNQPV-SECBINFHSA-N 271.317 -0.525 50 20 CBGD Cc1cc(C(=O)NNC(=O)CS(C)(=O)=O)ccn1 863465494 AAKBBYJPGHPVOS-UHFFFAOYSA-N 271.298 -0.804 50 20 CBGD C[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)OC(C)(C)C 863874060 MENZHLDSWLPCMN-VIFPVBQESA-N 293.128 -0.174 50 20 CBGD COC(=O)C1(CNC(=O)c2cccc(B(O)O)c2)CC1 863878180 BFXJOPZAIHETQZ-UHFFFAOYSA-N 277.085 -0.951 50 20 CBGD CCc1cc(C(=O)NNC(=O)NCCCOC)n(C)n1 874194524 WEZXFVWFIRSLID-UHFFFAOYSA-N 283.332 -0.037 50 20 CBGD C#CCCCC(=O)NNC(=S)NCCN(C)C 899619682 ADYDRTSBHUCZJI-UHFFFAOYSA-N 256.375 -0.153 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 910169612 FGEWZVSAQAFGBR-PWSUYJOCSA-N 283.372 -0.021 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccc(-n2cncn2)nc1 910175639 QKYMRGCIAHQKOT-SECBINFHSA-N 276.300 -0.380 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2CCC(=O)NC2)n1 917099777 WWPADEBGWXDODS-SSDOTTSWSA-N 265.273 -0.546 50 20 CBGD Cc1n[nH]cc1S(=O)(=O)NNC(=O)Cc1cccnc1 1116033714 YJUHRUJFKVSJPV-UHFFFAOYSA-N 295.324 -0.335 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCOc1cccc(F)c1 1116186492 BXFXYCPGMLHFRJ-UHFFFAOYSA-N 299.258 -0.292 50 20 CBGD COC(=O)C(=O)NNC(=O)NOC/C=C/Cl 1117697726 PWLZAAGZUZXTLQ-NSCUHMNNSA-N 251.626 -0.826 50 20 CBGD Cc1c(CC(=O)NNC(=O)c2cnn(C)c2)cnn1C 1261239005 ZPDIWIGHAOAYCA-UHFFFAOYSA-N 276.300 -0.534 50 20 CBGD CCc1nn(C)c(OC)c1C=NNC(=O)[C@H]1CCC(=O)N1 1261833476 ZNGZEJKTCHEALK-SNVBAGLBSA-N 293.327 -0.280 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCCc1ccc(O)cc1 1319298476 DAYHMQFJFFGCJD-UHFFFAOYSA-N 295.295 -0.172 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cc(C(N)=O)ccc1F 1320262635 YKIGLXDURYTJMJ-UHFFFAOYSA-N 298.230 -0.750 50 20 CBGD COC(=O)N(C)NC(=O)Cn1cc([C@H](C)O)nn1 1322068908 JTKGBGBJTJMBCE-LURJTMIESA-N 257.250 -0.939 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cnc(C3CC3)[nH]2)CC1 1323793556 CRKJIQDDNCEQFH-UHFFFAOYSA-N 292.343 -0.111 50 20 CBGD CCn1ccc(CC(=O)NNc2nccn(C)c2=O)n1 1326571825 CEVLLTAYFNYNRE-UHFFFAOYSA-N 276.300 -0.318 50 20 CBGD C/C=C(\C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1331310306 UOKFFQBZSKTDHY-HOOMWESVSA-N 260.315 -0.465 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1cnn(C)c1 1345930058 JNDGCUOQEGLJHE-IONNQARKSA-N 288.329 -0.845 50 20 CBGD O=C(CN1C(=O)CCC1=O)NNc1ccnc(F)c1 1346897523 JAGGFCZWILOZQG-UHFFFAOYSA-N 266.232 -0.187 50 20 CBGD C[C@@H]1[C@H](CO)CCCN1C(=O)NNC(=O)c1cn[nH]c1 1351351462 FFSFHOLOGATJBN-BDAKNGLRSA-N 281.316 -0.143 50 20 CBGD O=C(CCC12CC(CN1)C2)NNC(=O)c1cc[nH]n1 1580524418 LEQZCZUYBFIUTQ-UHFFFAOYSA-N 263.301 -0.297 50 20 CBGD O=C(NNC(=O)[C@H](O)C1CCCCC1)[C@@H]1CCN1 1580733507 WVEWHXUIVAPQDI-VHSXEESVSA-N 255.318 -0.563 50 20 CBGD CC(C)(O)C(=O)NNC(=O)/C=C/c1ccc(C(=O)O)o1 1590882961 UTDUQBDSTUSYRS-GQCTYLIASA-N 282.252 -0.091 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)C(=O)O)N1CCCCC1 1592676694 VWOKZIAKSSMEFX-QMMMGPOBSA-N 272.305 -0.724 50 20 CBGD CN(NC(=O)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C2)C(N)=O 1593766205 HMBQUEGVBVGGOP-OKTBNZSVSA-N 255.274 -0.081 50 20 CBGD O=C(O)CCNC(=O)NNC(=O)C1CCOCC1 1595059166 GBIXPYAGUXRDEZ-UHFFFAOYSA-N 259.262 -0.782 50 20 CBGD CC(C)COCCCNC(=O)NNC(=O)C(=O)O 1609700482 YEKSOSQGQOJONB-UHFFFAOYSA-N 261.278 -0.536 50 20 CBGD CCO[C@H]1C[C@@H](NC(=O)NNC(=O)C(=O)O)C12CCC2 1610030528 MEKDIMVYEMARHQ-SFYZADRCSA-N 285.300 -0.251 50 20 CBGD Cc1ncc(CNC(=O)NNC(=O)C(=O)O)s1 1610563085 ZDKBQTUXHLBJCX-UHFFFAOYSA-N 258.259 -0.633 50 20 CBGD COc1ccccc1C(=O)NNC(=O)C(=O)NC1CC1 9889572 UQIWVWWGHOJGGF-UHFFFAOYSA-N 277.280 -0.265 50 20 CBGD O=C(CO)NNC(=O)c1csc(-c2ccccn2)n1 180959934 BKTBKIUNUAQMTG-UHFFFAOYSA-N 278.293 -0.042 50 20 CBGD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NN)C1=O 192479723 FJMJSUAISVGDAE-GFCCVEGCSA-N 280.259 -0.417 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cc(C(=O)OC)oc1C 269956481 KJYHYPKWRHDBPR-UHFFFAOYSA-N 291.285 -0.503 50 20 CBGD CCOC(=O)NCC(=O)NNc1nccnc1OC 274064640 IYOQYDKEMWOKAU-UHFFFAOYSA-N 269.261 -0.326 50 20 CBGD CSCC(C)(C)C(=O)NNC(=O)C(=O)NC1CC1 282014060 JUVXOTDIBXHXHE-UHFFFAOYSA-N 273.358 -0.198 50 20 CBGD COC[C@](C)(O)CNS(=O)(=O)CBr 308481018 NFMFMRBTVLSUQZ-ZCFIWIBFSA-N 276.152 -0.344 50 20 CBGD O=C1C[C@H](CNS(=O)(=O)CCCCl)CN1 398306676 PROUZPORVODUQX-ZETCQYMHSA-N 254.739 -0.329 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@@H](O)C1 584930729 CATZLGRMXYAZQR-SECBINFHSA-N 267.065 -0.898 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCN(C2CCC2)CC1 584946593 VFTXVEJJOMXARL-UHFFFAOYSA-N 288.156 -0.323 50 20 CBGD CN1CCC[C@@H]1CNC(=O)c1cc(B(O)O)ccc1F 584946675 XUYLGMYBWCOYBS-SNVBAGLBSA-N 280.108 -0.671 50 20 CBGD C[C@H](CCO)CNC(=O)c1ccc(B(O)O)c(F)c1 584960558 RVFPMNWTVCBEEA-MRVPVSSYSA-N 269.081 -0.746 50 20 CBGD COCC[C@]1(NC(=O)c2ccc(B(O)O)cc2)CCOC1 584981457 GJHZSKVUUKZEMP-AWEZNQCLSA-N 293.128 -0.708 50 20 CBGD CC(C)N(C)CCCNCc1ccc(B(O)O)o1 585017755 KHTUNVOORGHKJG-UHFFFAOYSA-N 254.139 -0.221 50 20 CBGD CCO[C@H]1COCC[C@@H]1NCc1ccc(B(O)O)cc1F 585035272 QSVJKAYSTHSFRP-KBPBESRZSA-N 297.135 -0.211 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)o1)c1ccnc(O)c1 585042333 APKJFGAQXWDDDJ-MRVPVSSYSA-N 262.074 -0.089 50 20 CBGD OB(O)c1ccc(CNCC[C@@]2(O)C[C@H]3CC[C@H]2C3)o1 585043555 RECKPHXLDIGELU-COPLHBTASA-N 279.145 -0.010 50 20 CBGD O=C(NCB(O)O)[C@H]1CC(=O)N(C2CCCCC2)C1 585061532 ZYZZKBKTHINTFX-VIFPVBQESA-N 268.122 -0.704 50 20 CBGD O=C(NCB(O)O)c1ccc(-n2ccnc2O)cc1 585062497 JQSDCYKGXPSQBS-UHFFFAOYSA-N 261.046 -0.680 50 20 CBGD O=C1NCC[C@@]1(C(=O)N1CC[C@@H](B(O)O)C1)C1CCCC1 585065453 DHQHHQHHOSVJTG-BXUZGUMPSA-N 294.160 -0.242 50 20 CBGD O=C(O)CC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 738556291 PINGTBGLJWNELP-VIFPVBQESA-N 264.237 -0.388 50 20 CBGD CN1CC[C@@H](C(=O)NNc2ncnc3[nH]cnc23)CC1=O 743468375 DRDHCJJADHWIEW-SSDOTTSWSA-N 289.299 -0.336 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCOCC2)cc1 744385573 WTSINDOYZWGFEA-UHFFFAOYSA-N 288.307 -0.349 50 20 CBGD Cc1ocnc1C(=O)NNC(=O)CNC(=O)c1ccco1 751203761 RXJZDDOEXXOUBS-UHFFFAOYSA-N 292.251 -0.233 50 20 CBGD CN1CCC[C@@H]1C(=O)NNC(=O)Cc1cc[nH]n1 755285832 VLFKIKIPRPJWAZ-SECBINFHSA-N 251.290 -0.806 50 20 CBGD Cc1cc(CC(=O)NNC(=O)c2c[nH]nc2C)n[nH]1 755337693 LPZLJLOSSZPKCC-UHFFFAOYSA-N 262.273 -0.247 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@]2(C)CCOC2)n[nH]1 755645121 DKNLVRICYJCRIT-LLVKDONJSA-N 252.274 -0.094 50 20 CBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc[nH]2)co1 757633278 LBQVUUCCXUEURN-UHFFFAOYSA-N 298.280 -0.670 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNc1ncccc1[N+](=O)[O-] 759297414 NILPHSHDBRBUTM-ZCFIWIBFSA-N 267.245 -0.043 50 20 CBGD CC[C@H](C)C(=O)NNS(=O)(=O)N1CCOCC1 765053484 LARUFJXQZGNMIN-QMMMGPOBSA-N 265.335 -0.770 50 20 CBGD O=C(CCn1cc[nH]c(=O)c1=O)NNc1ccnc(F)c1 781363899 RMTZOQLWOBIUOI-UHFFFAOYSA-N 293.258 -0.396 50 20 CBGD Cn1ncc(C(=O)NNC(=O)c2ccc(Cl)nc2)n1 785866448 SPKJTDLLVBSQHK-UHFFFAOYSA-N 280.675 -0.062 50 20 CBGD CC(C)(O)CC(=O)NNC(=O)Cc1cccnc1 792140667 DWNJBFGUGPFIFC-UHFFFAOYSA-N 251.286 -0.068 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)o1 802027241 YFKJLKJLILZBSD-UHFFFAOYSA-N 289.251 -0.338 50 20 CBGD CCc1ccc(C(=O)NN=C2C(=O)NC(=O)NC2=O)cc1 814214821 ILVLVXSMKCQCRO-UHFFFAOYSA-N 288.263 -0.299 50 20 CBGD NC(=O)C(=O)NN=Cc1nc2c(s1)CCCC2 814695699 MYEXPVYIYBCVBM-UHFFFAOYSA-N 252.299 -0.043 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCc2c[nH]nc2C1 823950619 DYUQZVKAECKWJS-RKDXNWHRSA-N 252.318 -0.142 50 20 CBGD COCCONC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 826652679 XHTNNYKVFXVRGX-SFYZADRCSA-N 261.278 -0.680 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(CC(C)C)C(=O)C1 839565418 FPXROCZTMSTFIR-LLVKDONJSA-N 298.387 -0.268 50 20 CBGD CCO[C@H]1C[C@@H]1C(=O)NNC(=O)c1ncccn1 841354319 MOJZHAWCNHVSMH-YUMQZZPRSA-N 250.258 -0.337 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1ccc(C#N)o1 842589667 KRNPRMZCEJGQDL-VXNVDRBHSA-N 299.308 -0.114 50 20 CBGD COc1c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(C)nn1C 843654083 PQIZAMZMMWEUHG-IUCAKERBSA-N 296.327 -0.077 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@@H]1COCCO1 854279967 MAEATAAXPIYTCE-VIFPVBQESA-N 291.373 -0.724 50 20 CBGD Cc1nc(Cl)cc(NNC(=O)[C@@H]2CC(=O)N2)n1 854956236 GZRASPSZMHEHIU-YFKPBYRVSA-N 255.665 -0.230 50 20 CBGD CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNC(=O)c1cc[nH]n1 855355731 GBWAQTSRIDVFGZ-CBAPKCEASA-N 297.315 -0.059 50 20 CBGD C=CC(=O)N(C)CC(=O)NNc1nccnc1OC 862004344 URPOYKNPBRJVHN-UHFFFAOYSA-N 265.273 -0.427 50 20 CBGD CN(C)c1ccnc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862453058 INYVGEWJVFVUMK-VIFPVBQESA-N 291.311 -0.813 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cncc(Cl)n2)N1 863934659 GIHUHBKGXCHLNX-RXMQYKEDSA-N 283.675 -0.830 50 20 CBGD CN(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 863935253 NCBPUWZUBHCPLD-NSHDSACASA-N 290.323 -0.208 50 20 CBGD C[C@H](C[C@H]1CCOC1)NC(=O)c1ccc(B(O)O)cc1 866585045 MYPYKUHWNXFDRK-GHMZBOCLSA-N 277.129 -0.089 50 20 CBGD COCCOCC(=O)NNC(=O)CCn1cccn1 869911056 TYOJEPGLSDSDHT-UHFFFAOYSA-N 270.289 -0.916 50 20 CBGD C[C@@]1(C(=O)NNC(=O)c2ccccc2)CCNC1=O 873731059 KSRDCDXWKNDKMK-CYBMUJFWSA-N 261.281 -0.026 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNC(=O)C1CCOCC1 883067829 XNTBCBLOMWVCKX-NSHDSACASA-N 285.344 -0.719 50 20 CBGD CCN1CCC[C@H](NCc2ccccc2B(O)O)C1=O 896728567 BSDHZWCEXZZXHQ-ZDUSSCGKSA-N 276.145 -0.533 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@@H]1COCO1 923842938 KOTCQARVPCJVOG-DJLDLDEBSA-N 273.289 -0.885 50 20 CBGD CC(C)S(=O)(=O)CC(=O)NNc1nccn(C)c1=O 1116193047 JAOZCKGVTUASHC-UHFFFAOYSA-N 288.329 -0.953 50 20 CBGD CN(C)C(=O)NNC(=O)c1c2c(nn1C)CCC2 1119564337 QWCQJQGSUCTOCB-UHFFFAOYSA-N 251.290 -0.175 50 20 CBGD O=C(NCCCC(F)F)NNC(=O)C(=O)N1CCCC1 1119619675 YUNCLDSGYAOKOQ-UHFFFAOYSA-N 292.286 -0.016 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CSc1cccc[n+]1[O-] 1262178363 ZFGZRTCHAMXWNH-SECBINFHSA-N 271.342 -0.244 50 20 CBGD COc1cccc(C(=O)NNC(=O)C(=O)NC2CC2)n1 1319005999 YZAVYHLTMHCVAO-UHFFFAOYSA-N 278.268 -0.870 50 20 CBGD CNC(=O)NNS(=O)(=O)c1csnc1C(=O)OC 1319561372 FCTUBEGTFZZZNB-UHFFFAOYSA-N 294.314 -0.948 50 20 CBGD COC(=O)C(=O)NN=Cc1c(Cl)nc(OC)n1C 1324201139 DBOGPBDYTYCKMQ-UHFFFAOYSA-N 274.664 -0.295 50 20 CBGD COC(=O)NCCCC(=O)N1CC[C@H](B(O)O)C1 1329672804 RKEJRNOGWGNDCT-QMMMGPOBSA-N 258.083 -0.802 50 20 CBGD Cc1nc(CC(=O)NNc2nncc(N)c2Cl)n[nH]1 1331424910 IZOXEDKNBIGVBZ-UHFFFAOYSA-N 282.695 -0.175 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cnn(C)c2)CO1 1332117570 BJWLVTWNDLVUPB-VXNVDRBHSA-N 267.289 -0.459 50 20 CBGD NC(=O)c1ccc(C=NNC(=O)C(=O)NC2CC2)cc1 1337447162 XLWBEGLMGLDWLM-UHFFFAOYSA-N 274.280 -0.486 50 20 CBGD CC[C@H](NC)C(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1 1577172119 LAKYIOSBXUNVJF-RYUDHWBXSA-N 298.387 -0.615 50 20 CBGD CC(C)C(=O)NNC(=O)CN(C)C[C@@H](C)C(=O)O 1588799278 ABVNAXOLXIRNHD-MRVPVSSYSA-N 259.306 -0.558 50 20 CBGD CC1(C)CO[C@H](CNC(=O)NNC(=O)C(=O)O)C1 1593959142 MLXQQOUQCUVXGR-LURJTMIESA-N 259.262 -0.784 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@H]1C(=O)O)c1ncccn1 1594783303 YYXVPXBFQPVRHF-NKWVEPMBSA-N 264.241 -0.652 50 20 CBGD O=C(O)CN(CC1CC1)C(=O)c1ccc(B(O)O)cc1 1595069824 FOHONDADFSDWTB-UHFFFAOYSA-N 277.085 -0.697 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@H]1CC[C@H]1C(=O)O 1601369402 AXSBIUIPNYHKBY-VHSXEESVSA-N 277.280 -0.118 50 20 CBGD Cc1cc(C(=O)O)cc(C(=O)NNC(=O)c2cnn[nH]2)c1 1605140611 FBQSHXDSMDBVFO-UHFFFAOYSA-N 289.251 -0.114 50 20 CBGD O=C(O)C(=O)NNC(=S)NC[C@H]1CCCCO1 1608530781 FGMPSAOLMULWOG-ZCFIWIBFSA-N 261.303 -0.865 50 20 CBGD O=C(CCO)NN=Cc1ccccc1-c1nn[nH]n1 1609524377 NHHJGNSHMUHRER-UHFFFAOYSA-N 260.257 -0.301 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1c[nH]c(C(=O)O)c1 1609880076 VKRHAMUEYQOESO-HTRCEHHLSA-N 281.268 -0.101 50 20 CBGD O=C(O)[C@H](CO)NS(=O)(=O)CCCCCl 1610804155 QCWWDPWFUKMJEY-LURJTMIESA-N 259.711 -0.630 50 20 CBGD O=C(CCc1ccccc1)NNC(=O)c1nc(=O)[nH][nH]1 156093997 NNGLUCLEKVFPFM-UHFFFAOYSA-N 275.268 -0.508 50 20 CBGD COC(=O)NNC(=O)c1ccc2[nH]c(=O)[nH]c2c1 185422579 VKJFVAKUZCHDCO-UHFFFAOYSA-N 250.214 -0.143 50 20 CBGD COC(=O)N[C@H](C(=O)NNC(=O)C1CC1)C(C)C 264540766 MKONFTQDNCDWDD-QMMMGPOBSA-N 257.290 -0.076 50 20 CBGD COCC(=O)N[C@H](C(=O)NNc1cccnn1)C(C)C 265981029 OQOBUKKVLZXBFK-NSHDSACASA-N 281.316 -0.293 50 20 CBGD CC(C)CC(=O)NNC(=O)NCC(=O)NCC1CC1 272357619 RRKYQDNGGXYBED-UHFFFAOYSA-N 270.333 -0.111 50 20 CBGD C=CCNC(=O)CNS(=O)(=O)CBr 272826343 QBZHQXIRYXUAOF-UHFFFAOYSA-N 271.136 -0.440 50 20 CBGD COC(=O)COCC(=O)NNc1cccc(OC)n1 288631161 QVHMCAWFGGKNEZ-UHFFFAOYSA-N 269.257 -0.277 50 20 CBGD CO[C@@H](Cc1ccccc1)C(=O)NNC(=O)CN(C)C 295360293 WASXHNCYBKAIQR-LBPRGKRZSA-N 279.340 -0.047 50 20 CBGD CC(C)N1CCO[C@@H](C(=O)Nc2cccc(B(O)O)c2)C1 584914093 PHGHYAVPJIUZIQ-CYBMUJFWSA-N 292.144 -0.586 50 20 CBGD C[C@H](O)C[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 584972896 IZHUZUVISYAZEW-BDAKNGLRSA-N 251.091 -0.744 50 20 CBGD CO[C@H](C)CNC(=O)c1cc(B(O)O)ccc1F 584978981 HLYXKEIASIQSIN-SSDOTTSWSA-N 255.054 -0.730 50 20 CBGD Cc1nc([C@H](C)NC(=O)c2ccc(B(O)O)c(F)c2)n[nH]1 584989047 KFCKDBGYGGQGFB-LURJTMIESA-N 292.079 -0.577 50 20 CBGD CN(C(=O)c1ccc(B(O)O)c(F)c1)[C@@H]1CCC[C@H]1O 584989151 YIEMAMRQDGGJSS-VXGBXAGGSA-N 281.092 -0.509 50 20 CBGD OB(O)c1ccc(CNCCCN2CCCC2)cc1 585032528 ICYZZPGUFLITTK-UHFFFAOYSA-N 262.162 -0.058 50 20 CBGD CO[C@@H]1COCC[C@@H]1CNCc1ccc(B(O)O)o1 585042996 HALXHAWGVJUOMO-MWLCHTKSSA-N 269.106 -0.900 50 20 CBGD CCCC[C@@H](NCc1ccc(B(O)O)o1)[C@H](C)O 585046181 RUNNGMFEYMYCFZ-GXSJLCMTSA-N 255.123 -0.011 50 20 CBGD COc1ccc(C(=O)NCCCC(=O)NCB(O)O)cc1 585061279 UTJZUASOFISPPL-UHFFFAOYSA-N 294.116 -0.667 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN(C)CC1 725879645 LRDRTMVZLSEWOY-LLVKDONJSA-N 270.377 -0.184 50 20 CBGD CCC[C@H](C)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 733140982 QVCLXKVIRKBIKM-DTWKUNHWSA-N 291.373 -0.060 50 20 CBGD CC(C)CN1CCN(CC(=O)NNC(=O)C2CC2)CC1 733193547 VFIUBKHCRUMWPD-UHFFFAOYSA-N 282.388 -0.183 50 20 CBGD Cc1cc(C(=O)NNC(=O)N(C)C)c2c(O)nn(C)c2n1 746001250 DKPYYEFOGNITHR-UHFFFAOYSA-N 292.299 -0.102 50 20 CBGD CN(C)C(=O)NNC(=O)CCCNC(=O)C1CC1 746001796 WNSUWCXDWMXDPE-UHFFFAOYSA-N 256.306 -0.405 50 20 CBGD COCCCNC(=O)NNC(=O)C[C@@](C)(O)C1CC1 755663766 FEWURKYPDCFLFO-GFCCVEGCSA-N 273.333 -0.096 50 20 CBGD C[C@H]1CC(=O)NCCN1CC(=O)NNC(=O)C(C)(C)C 761059146 ZIGGQNZBTFWHLP-VIFPVBQESA-N 284.360 -0.610 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C(C)(C)C(N)=O)o1 768023014 KCHXIKKBWVWBHL-UHFFFAOYSA-N 253.258 -0.139 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCC[C@H]1CCO 779710602 IUTSTWPRJVMALM-VHSXEESVSA-N 273.333 -0.096 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 786918543 OTTYMFPDAKOJRX-BDAKNGLRSA-N 293.327 -0.229 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ncc[nH]1 790161253 CLRNUQMDRBZMJR-SSDOTTSWSA-N 273.318 -0.812 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cc(C)on1 790295619 LCKXMJXWEJXHFS-QMMMGPOBSA-N 288.329 -0.239 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CS(C)(=O)=O)n1 794087926 SZNSKNJSRMYAAR-UHFFFAOYSA-N 271.298 -0.804 50 20 CBGD CC(=O)N[C@H](C(=O)NNC(=O)N1CCN(C)CC1)C(C)C 807383155 MLFKKBWMYSSAMV-NSHDSACASA-N 299.375 -0.865 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)CC2CC2)CC1=O 819126627 RMRBBLJSZGMTNW-VIFPVBQESA-N 253.302 -0.198 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 823976331 BXKZUPGTDVCOTA-QWRGUYRKSA-N 295.339 -0.028 50 20 CBGD CC(C)[C@@H](CO)NC(=O)NNC(=O)[C@H]1CCO[C@H]1C 827280412 BJJVPRLKSIYSQD-LPEHRKFASA-N 273.333 -0.241 50 20 CBGD CC(C)C(=O)NNC(=O)[C@H]1CCc2nnnn2CC1 845084059 GFSDNSHGOUEQSL-QMMMGPOBSA-N 266.305 -0.571 50 20 CBGD COC(=O)COCC(=O)NNC(=O)NCC(F)(F)F 847116798 QWSIJMKXDZJWBE-UHFFFAOYSA-N 287.194 -0.931 50 20 CBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)NCC1CC1 847390970 PIPISZXMWSYFHM-JGVFFNPUSA-N 254.290 -0.762 50 20 CBGD O=C(NNS(=O)(=O)C[C@@H]1CCCCO1)c1cc[nH]n1 849310706 LHRLEEYSYANSSM-QMMMGPOBSA-N 288.329 -0.457 50 20 CBGD CC[C@@H](CS(=O)(=O)NNC(=O)c1cc[nH]n1)OC 849310972 XSRQODNPVKQPHV-ZETCQYMHSA-N 276.318 -0.601 50 20 CBGD O=C(NNC(=O)[C@]1(O)CCSC1)c1cccc(F)n1 856422864 FQBHMGRICSYDRJ-NSHDSACASA-N 285.300 -0.150 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H]2CCC[C@@]2(N)C1 857086903 ZIFNMPXZECKNHN-OUJBWJOFSA-N 268.361 -0.255 50 20 CBGD CC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)c1cnn(C)c1 859447768 VWYRLSSBZRNEOK-LLVKDONJSA-N 295.343 -0.268 50 20 CBGD CCc1nnc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 860264304 SQJCXVNHLSUAQT-YFKPBYRVSA-N 298.328 -0.468 50 20 CBGD O=C(CCc1ccoc1)NNC(=O)[C@H]1CCC(=O)N1 862455704 IYNWCNBUTJCANO-SECBINFHSA-N 265.269 -0.362 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc(C3CC3)no2)N1 862459112 MPGMJTXAOFUKHO-SSDOTTSWSA-N 278.268 -0.408 50 20 CBGD Cc1nsc(C)c1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862460567 GAUQHZDFYGJEGM-SSDOTTSWSA-N 282.325 -0.200 50 20 CBGD CC(=O)N[C@@H](C(=O)NNC(=O)c1cn[nH]c1)C(C)C 862466472 JBXAIIJTOVRQFT-SECBINFHSA-N 267.289 -0.669 50 20 CBGD CCOC(=O)[C@@H](C)NC(=O)c1cccc(B(O)O)c1 864982218 ZGNKMSPUCOUMSW-MRVPVSSYSA-N 265.074 -0.952 50 20 CBGD CSCCNC(=S)NNC(=O)c1cnc(O)n1C 867162171 GMMHVJUABWOLGG-UHFFFAOYSA-N 289.386 -0.402 50 20 CBGD O=C(/C=C\CN1CCOCC1)NNc1ccncn1 868646737 WVUYHRZXAXKSQE-UPHRSURJSA-N 263.301 -0.192 50 20 CBGD O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CC[C@H](B(O)O)C1 902552661 RIUZWIDJDUYJAO-XWLWVQCSSA-N 253.107 -0.123 50 20 CBGD CCCN1CCC[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 913729876 BUUPTNNROFYKIR-LLVKDONJSA-N 296.371 -0.369 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1C[C@H]1C1CCC1 1118110247 VJPXEFISWCDQCG-IUCAKERBSA-N 269.301 -0.074 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CCc2n[nH]cc2C1 1319505195 DURQKWLMVWVDJE-SSDOTTSWSA-N 251.290 -0.183 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccc(NC(C)=O)cc1 1321184869 LEQCNXWXOOCFJT-UHFFFAOYSA-N 294.267 -0.029 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)CC(F)(F)F 1322254839 JXYMQBLLDAFWOE-RXMQYKEDSA-N 290.263 -0.233 50 20 CBGD CCO/C=C(/C#N)C(=O)NCCCCS(N)(=O)=O 1325062382 AOXBLXFPZINQTC-HJWRWDBZSA-N 275.330 -0.385 50 20 CBGD NC(=O)C(=O)NN=Cc1ccc(O[C@H]2CCOC2)cc1 1327983386 CFVOHAIQRSOZLG-NSHDSACASA-N 277.280 -0.210 50 20 CBGD CS(=O)(=O)CC(=O)NN=C1CCCc2nc(N)ncc21 1348412827 ZCHNWMYEIONUOV-UHFFFAOYSA-N 297.340 -0.740 50 20 CBGD CCOCC(=O)NNC(=O)NCCCCCC(=O)O 1573910834 DEIJTZSWGZWYCD-UHFFFAOYSA-N 275.305 -0.002 50 20 CBGD N[C@@H](C(=O)NNC(=O)c1ncon1)c1ccc(F)cc1F 1580115213 OYECQBZFVRZLEC-MRVPVSSYSA-N 297.221 -0.191 50 20 CBGD O=C(NNC(=O)[C@@H]1CCN1)c1cc(F)cc2nn[nH]c12 1580733577 YHPJWJOMQOOPQR-ZETCQYMHSA-N 278.247 -0.780 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NN=c1cc[nH]c2cccnc12 1593911269 JQFAPMFTLQJFQQ-SNVBAGLBSA-N 276.252 -0.406 50 20 CBGD C[C@H](C(=O)O)N(C)CC(=O)NNC(=O)c1ccc(F)cc1 1599886236 UFRLIANBMHYFOV-MRVPVSSYSA-N 297.286 -0.008 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCOCC12CCCC2 1601553157 VSSINCWOOBQHMD-MRVPVSSYSA-N 285.300 -0.249 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc(C(=O)O)s1 1603686169 PBXCGQFRFHSDNA-UHFFFAOYSA-N 272.282 -0.022 50 20 CBGD O=C(NNC(=O)c1cc(C(=O)O)on1)NC1CC1 1608479104 MNXAMDJYHVXBRX-UHFFFAOYSA-N 254.202 -0.521 50 20 CBGD O=C(O)C1(CS(=O)(=O)N2CC[C@H](B(O)O)C2)CCC1 1608570427 IKATVGVNBSFQJW-QMMMGPOBSA-N 291.134 -0.880 50 20 CBGD O=C(O)[C@@H]1CC[C@H](C(=O)NNc2ncc(F)cn2)O1 1608804309 GLDNLQGTVVETLY-RQJHMYQMSA-N 270.220 -0.309 50 20 CBGD CS(=O)(=O)NCCNS(=O)(=O)CCCCl 36881857 BXPRHWMABDGJLK-UHFFFAOYSA-N 278.783 -0.916 50 20 CBGD CC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccccc1 47683895 PIDXIKPXPCZYBM-UHFFFAOYSA-N 285.325 -0.526 50 20 CBGD COc1ccnc(NNC(=O)CCCS(C)(=O)=O)n1 264677714 YNRURQARUXNRCN-UHFFFAOYSA-N 288.329 -0.247 50 20 CBGD CCCNC(=O)CNC(=O)NNc1nc(C)cc(OC)n1 266917781 BESCVHAZHRJPFB-UHFFFAOYSA-N 296.331 -0.054 50 20 CBGD O=C1CCCC[C@H](C(=O)NNC(=O)NCC(F)(F)F)N1 281327067 TXXPMMZMQGYYAA-ZCFIWIBFSA-N 296.249 -0.062 50 20 CBGD O=C(CO)NNc1ccc(S(=O)(=O)NC2CC2)cc1 283764526 QKUGQGLYFSXBSL-UHFFFAOYSA-N 285.325 -0.437 50 20 CBGD O=C(NCCNC(=O)C1CC1)NNc1ncncc1F 293078746 UUTAEWCFWLRDCF-UHFFFAOYSA-N 282.279 -0.232 50 20 CBGD COC(=O)NCCC(=O)NNC(=O)c1cccnc1 491275203 YUAZUPZMDKSBRJ-UHFFFAOYSA-N 266.257 -0.411 50 20 CBGD C[C@@H](NC(=O)C1CCC1)C(=O)Nc1cccc(B(O)O)c1 584909665 HLZUPPCAJDBPLY-SECBINFHSA-N 290.128 -0.390 50 20 CBGD CC(C)(C)NC(=O)CNC(=O)c1ccc(B(O)O)cc1 584925938 UNHNPPJJFSNMOL-UHFFFAOYSA-N 278.117 -0.989 50 20 CBGD O=C(NC1CCN(C2CC2)CC1)c1cccc(B(O)O)c1 584929434 SVLQBYINLPXGNH-UHFFFAOYSA-N 288.156 -0.277 50 20 CBGD O=C(N[C@H]1CCN(C2CC2)C1)c1cccc(B(O)O)c1 584934656 UPNJHMXPQQWFEB-LBPRGKRZSA-N 274.129 -0.667 50 20 CBGD CN(CCNC(=O)c1cccc(B(O)O)c1)C1CCCC1 584941118 FEUBJUGQLRHYSH-UHFFFAOYSA-N 290.172 -0.029 50 20 CBGD C[C@H](NC(=O)c1ccc(B(O)O)cc1)[C@H](C)n1cccn1 584945874 MKZGEICVTJGYQS-QWRGUYRKSA-N 287.128 -0.058 50 20 CBGD CC[C@H](C[C@H](C)CO)NC(=O)c1cccc(B(O)O)c1 584962512 HVMQQMIUXVONHH-GXFFZTMASA-N 279.145 -0.107 50 20 CBGD C[C@H]1CC[C@H](CO)CN1C(=O)c1cccc(B(O)O)c1 584967246 HJSZZVRPNCORPD-QWRGUYRKSA-N 277.129 -0.401 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)[C@H](C)CN1C 584969268 KPNPGDNSEGVSHQ-NXEZZACHSA-N 294.135 -0.330 50 20 CBGD N#C[C@@]1(F)CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584978870 FCNVNEXVAVSYGA-LBPRGKRZSA-N 280.039 -0.417 50 20 CBGD CCn1ncnc1CNC(=O)c1ccc(B(O)O)c(F)c1 584984811 CKPLIEHKPHKPIR-UHFFFAOYSA-N 292.079 -0.953 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1F)[C@@H]1CN(C)CCO1 585029151 WHVSJOPRCBBNLT-HZMBPMFUSA-N 296.151 -0.686 50 20 CBGD NC(=O)C1(CNCc2cccc(B(O)O)c2)CCCC1 585033066 WMFZKNBFTJRXBX-UHFFFAOYSA-N 276.145 -0.498 50 20 CBGD C[C@@H](CCNCc1ccc(B(O)O)cc1F)[S@](C)=O 585034958 WAGMKBBOTASGTL-UGZDLDLSSA-N 287.165 -0.248 50 20 CBGD O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCB(O)O 585059822 BXPFQQBFYMYDLW-UHFFFAOYSA-N 272.453 -0.081 50 20 CBGD Cn1cc(C(=O)NNC(=O)CC(C)(C)C)c(=O)n(C)c1=O 735115913 UCKTZPMEOXGAAI-UHFFFAOYSA-N 296.327 -0.719 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccc2c(c1)CCC(=O)N2C 754700882 OASUFZSRNGBFQB-UHFFFAOYSA-N 288.307 -0.079 50 20 CBGD Cc1ncc(C(=O)NNC(=O)Cc2cc[nH]n2)c(N)n1 758080698 WDOKJOJRWJHXMJ-UHFFFAOYSA-N 275.272 -0.906 50 20 CBGD O=C(NCC1CC1)NNC(=O)c1ccc2nnnn2c1 758186615 IPJPRGDWGOYPAH-UHFFFAOYSA-N 275.272 -0.522 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)c1ccc2nnnn2c1 758216909 XJSRBGASKSOTMR-UHFFFAOYSA-N 297.278 -0.477 50 20 CBGD O=C(CCC(=O)N1CCOCC1)NNc1ncc(F)cn1 760906914 XZOQRGXFXQAJBQ-UHFFFAOYSA-N 297.290 -0.302 50 20 CBGD C[C@@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)C(C)(C)O 768243822 GNBTXKGTJRQMIV-SECBINFHSA-N 299.371 -0.010 50 20 CBGD CN1CCN(C(=O)NNC(=O)COc2cccnc2)CC1 773672053 DHQQTOCYLLXKQD-UHFFFAOYSA-N 293.327 -0.551 50 20 CBGD CCNC(=O)N(C)NC(=O)CNC(=O)c1ccncc1 780709702 SOFHFONNOCQMDD-UHFFFAOYSA-N 279.300 -0.496 50 20 CBGD CCc1[nH]nc(C(=O)NN(C)C(N)=O)c1[N+](=O)[O-] 782123883 KNSBSCJSUQBMPE-UHFFFAOYSA-N 256.222 -0.464 50 20 CBGD C[C@H]1CN(C)C(=O)CN1CC(=O)NNC(=O)C(C)(C)C 782598565 WHNDCMVIZHQUEI-VIFPVBQESA-N 284.360 -0.658 50 20 CBGD CC(C)Cn1[nH]c(CC(=O)NNC(=O)C2CC2)cc1=O 789860648 KGXFJAGZWQPPMF-UHFFFAOYSA-N 280.328 -0.068 50 20 CBGD CC(C)C(=O)NNC(=O)NCC1(S(C)(=O)=O)CCC1 793260221 YUEMNDRPLCGLLT-UHFFFAOYSA-N 291.373 -0.060 50 20 CBGD COC(=O)NNS(=O)(=O)C[C@H]1CCCOC1 795279211 RSNABQXYKLWMCT-ZETCQYMHSA-N 252.292 -0.397 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)C1(C)COC1 807370209 BCSZAVZAZNWBIH-UHFFFAOYSA-N 274.317 -0.041 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)CC1 807382315 AHMSUUZSWYVVNK-GMTAPVOTSA-N 282.344 -0.458 50 20 CBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=O)C1CCCC1 813411358 NMILGOQHIQDACR-JTQLQIEISA-N 285.344 -0.543 50 20 CBGD CN1C[C@@H](C(=O)NNC(=S)NCC2CCC2)CC1=O 819036764 GVNLSYPOVFMPBR-VIFPVBQESA-N 284.385 -0.240 50 20 CBGD CCN(CCO)NC(=O)[C@@H](C)Sc1nncn1C 823852453 HXCYCXMBEKQUNP-MRVPVSSYSA-N 273.362 -0.359 50 20 CBGD CCN(CCO)NC(=O)CN1Cc2ccccc2C1=O 823855728 DFYNDDULWCFPDW-UHFFFAOYSA-N 277.324 -0.012 50 20 CBGD Cc1nnc2ccc(C(=O)NN(C)[C@H](C)CO)cn12 823939552 LTIQWDCVQFYXNR-MRVPVSSYSA-N 263.301 -0.005 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N2)c(OC)c1 826646439 DHQJXTQFUKSARL-VIFPVBQESA-N 293.279 -0.647 50 20 CBGD COCC1(C(=O)NNc2ncccn2)CCNCC1 826726355 NXWQYTQYTGYTBA-UHFFFAOYSA-N 265.317 -0.064 50 20 CBGD CCN1CCCN(CC(=O)NNC(=O)C(C)C)CC1=O 829145936 HDYDOLYIDXYOGX-UHFFFAOYSA-N 284.360 -0.656 50 20 CBGD COCCCNC(=O)NN=C1CCNC(=O)CC1 834946277 MJRAHDZEHAQDMK-UHFFFAOYSA-N 256.306 -0.022 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(C)C(C)(C)C1 846889890 QJTTWBLIQUPYDE-JTQLQIEISA-N 270.377 -0.042 50 20 CBGD CN(NC(=O)CCN1C(=O)CCNC1=S)C1CC1 848230014 QPRAAJPOVPWXES-UHFFFAOYSA-N 270.358 -0.391 50 20 CBGD C[C@@H](O)C(=O)N1CCN(S(=O)(=O)CCl)CC1 849382371 HXTYHHOUKHOTMS-SSDOTTSWSA-N 270.738 -0.963 50 20 CBGD CC(Cn1cncn1)=NNC(=O)[C@H](C)CN1CCOCC1 853278496 BZTWKGYOTTUUMK-LLVKDONJSA-N 294.359 -0.262 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1nc2ncccn2n1 855007280 UPDRBXCOTLZRGP-SFYZADRCSA-N 290.283 -0.690 50 20 CBGD CNC(=O)NCCC(=O)NNC(=O)c1cccc(Cl)n1 857325304 VYOGBSPBXYOUFD-UHFFFAOYSA-N 299.718 -0.185 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 861656551 PNDRCYHAHQNZMY-MRVPVSSYSA-N 295.299 -0.498 50 20 CBGD CCCc1nc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)co1 862460445 GQLOCYQUUCJKMB-SSDOTTSWSA-N 280.284 -0.333 50 20 CBGD CCC[C@@H](OC)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862462342 WNXZKDBDLGPLEH-HTQZYQBOSA-N 257.290 -0.773 50 20 CBGD C[C@H]1CN(C2CC2)CC1=NNC(=O)CS(C)(=O)=O 863188048 XXIFTIXQRSYJPV-QMMMGPOBSA-N 273.358 -0.383 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)COc1ccccc1 863457056 CXQXEVQLBCIMDD-UHFFFAOYSA-N 286.309 -0.743 50 20 CBGD C[C@]1(C(=O)O)CCCN1CC(=O)NNC(=O)C1CC1 863531901 BJZBTRQSLYIKDC-GFCCVEGCSA-N 269.301 -0.517 50 20 CBGD CCN1CC[C@@H](NC(=O)NNC(=O)[C@H]2CCCCO2)C1=O 868838785 QMXWSRMICGSPSY-NXEZZACHSA-N 298.343 -0.493 50 20 CBGD CC[C@H](C(=O)NNC(=O)Cc1cc(C)[nH]n1)N(C)C 869014982 ZKIJOJRIUOSZAC-SNVBAGLBSA-N 267.333 -0.252 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 869905124 IUOBUJCESUSZRU-AEJSXWLSSA-N 284.312 -0.588 50 20 CBGD CN(C[C@H](O)CO)C(=O)[C@@]1(C)C[C@@H]1Br 907193560 YWUQUNFLPLWPFF-ZKWXMUAHSA-N 266.135 -0.029 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccc(C(N)=O)s1 910164955 FNILKNBLLDEIKS-ZCFIWIBFSA-N 257.315 -0.196 50 20 CBGD O=C(CN1CCCNC1=O)NNc1ncccn1 915259020 KXLOWBRXYYTNTJ-UHFFFAOYSA-N 250.262 -0.665 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CCN(C)C(=O)C1 920431086 NYAKPGHKKFSTTI-MRVPVSSYSA-N 270.358 -0.464 50 20 CBGD O=C(CCCN1C(=O)CCC1=O)NNC(=O)NCC1CC1 920858963 DQDDYCMEMIJVEZ-UHFFFAOYSA-N 296.327 -0.344 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cnn(C(C)C)c1 1118369049 VBYCDWPMVNWQHK-UHFFFAOYSA-N 267.289 -0.040 50 20 CBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNc1nncc(N)c1Cl 1118372919 AAZRMDWXFRHITR-CRCLSJGQSA-N 284.707 -0.333 50 20 CBGD Cc1nnsc1C=NNC(=O)[C@H]1CCC(=O)N1 1118948646 DNSGYSHNEJKJKD-ZCFIWIBFSA-N 253.287 -0.425 50 20 CBGD CCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccccn1 1252885981 NWOBPYRSCYVESL-MRVPVSSYSA-N 280.284 -0.408 50 20 CBGD O=C(CCc1cncnc1)NNC(=O)C(=O)N1CCCC1 1261236174 XVDKOIFHISWXKF-UHFFFAOYSA-N 291.311 -0.821 50 20 CBGD NC(=O)C(=O)NN=Cc1c[nH]nc1-c1cccnc1 1317748425 PCLHQCZJBGZAMZ-UHFFFAOYSA-N 258.241 -0.593 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cncnc1 1320382754 RIAAOSFDICHSAB-ZETCQYMHSA-N 266.257 -0.421 50 20 CBGD C[S@](=O)CCNC(=O)NNc1nncc(N)c1Cl 1322643767 UMBWTHZQSVOKEA-SFHVURJKSA-N 292.752 -0.283 50 20 CBGD COCCCOCC(=O)NNc1nnc(C)c(O)n1 1323475924 OTAISXBZVLJMOC-UHFFFAOYSA-N 271.277 -0.618 50 20 CBGD C[C@H](C[C@H]1CCOC1)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329172069 CHEMMLWDJQJGTR-BBBLOLIVSA-N 298.343 -0.590 50 20 CBGD CS(=O)(=O)CCCC(=O)NNc1ncnc2[nH]cnc12 1329988247 BYSKJCTVNMGBLA-UHFFFAOYSA-N 298.328 -0.379 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H](C)[C@H]1CCC(=O)N1 1331263513 YSYQCGCDXZOFMY-HTQZYQBOSA-N 272.374 -0.195 50 20 CBGD O=C(NCCn1ccnc1)NNC(=O)C1CCOCC1 1333587911 LOEWOHBIDOGYLH-UHFFFAOYSA-N 281.316 -0.360 50 20 CBGD Cn1nc(-c2ccco2)cc1NC(=O)NNC(=O)CO 1339242344 NTOITYPXVJSUML-UHFFFAOYSA-N 279.256 -0.175 50 20 CBGD Cc1cc(CC(=O)NNC(=S)NCc2ccon2)n[nH]1 1340496085 ZZQFYZMXYWQWQW-UHFFFAOYSA-N 294.340 -0.056 50 20 CBGD CC(=O)NNC(=O)c1c(C)nn(C)c1-n1cccn1 1343073926 WBDZXCKQKWRXLS-UHFFFAOYSA-N 262.273 -0.305 50 20 CBGD O=C(NNc1ncccc1[N+](=O)[O-])[C@@H]1COCCN1 1574333664 HCRZSRKJUIXBIA-ZETCQYMHSA-N 267.245 -0.579 50 20 CBGD NOCC(=O)NNc1ncc(Br)cn1 1580359113 IWIBEOKOKHETGX-UHFFFAOYSA-N 262.067 -0.428 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccoc1CC(=O)O 1592761744 HVUYJLSUFKHHDF-ZETCQYMHSA-N 256.258 -0.136 50 20 CBGD C[C@]1(C(=O)O)CCCN(CC(=O)NNC(=O)C2CC2)C1 1593777320 VPQUYHQRUCQDGX-ZDUSSCGKSA-N 283.328 -0.270 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1603566580 PRIQDXQFZMBIKY-LURJTMIESA-N 265.277 -0.848 50 20 CBGD CN(C)c1ccnc(CNC(=O)NNC(=O)C(=O)O)c1 1606062169 UMBOTAXSPGXCTJ-UHFFFAOYSA-N 281.272 -0.937 50 20 CBGD CNC(=O)NCC(=O)NNc1ccc(C(=O)O)cn1 1606280909 LEKGRSUPLBEQDL-UHFFFAOYSA-N 267.245 -0.848 50 20 CBGD CN(C)N(C(=O)CCCC(=O)O)[C@@H]1CCS(=O)(=O)C1 1610102395 LFJPWGBUKICITB-SECBINFHSA-N 292.357 -0.266 50 20 CBGD O=C(CO)NNC(=O)Cc1ccccc1[N+](=O)[O-] 180958501 VJLXGVVLHUGDNP-UHFFFAOYSA-N 253.214 -0.723 50 20 CBGD C[C@@H](NC(=O)NNc1nc2ccccn2n1)C(=O)N(C)C 191111959 OJGHZLQDLXPOGK-MRVPVSSYSA-N 291.315 -0.168 50 20 CBGD COc1cccc2c(C(=O)NNC(=O)CN(C)C)n[nH]c12 289587688 IHZNVJPKYYFWLA-UHFFFAOYSA-N 291.311 -0.106 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)NC2CC2)c(=O)n(C)c1=O 490587108 BRWSWPORWJYZGU-VMPITWQZSA-N 274.280 -0.730 50 20 CBGD COCCCCNC(=O)c1cc(B(O)O)ccc1F 584930550 ZIWZZVIREZIFHU-UHFFFAOYSA-N 269.081 -0.338 50 20 CBGD CN(C)[C@@H](CNC(=O)c1ccc(B(O)O)cc1)C1CC1 584931942 CLQFCDWMKSLZKI-ZDUSSCGKSA-N 276.145 -0.564 50 20 CBGD C/C=C/C[C@H](CO)NC(=O)c1ccc(B(O)O)c(F)c1 584978156 QXHMSQIIPIAINK-VMZHVLLKSA-N 281.092 -0.438 50 20 CBGD C[C@H]1[C@@H](C)N(C(=O)c2cccc(B(O)O)c2)CC[S@]1=O 584985029 GERUICZRRVANMJ-ZJNREGCTSA-N 295.169 -0.652 50 20 CBGD CO[C@@H](CNC(=O)c1ccc(B(O)O)cc1)C1CC1 584994789 OAAYRTMJRYSAIC-LBPRGKRZSA-N 263.102 -0.479 50 20 CBGD C[C@@H]1C[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H](C)O1 585002471 WKRUSYHSJPDNNK-CKYFFXLPSA-N 277.129 -0.090 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCC[C@H](O)C2)c(F)c1 585032399 HKPLPBSNVYYVKB-RYUDHWBXSA-N 267.109 -0.101 50 20 CBGD OC[C@@H](CNCc1ccccc1B(O)O)CC1CC1 585047227 LFHUJMBMZAYIPE-GFCCVEGCSA-N 263.146 -0.135 50 20 CBGD C[C@H](Oc1cccnc1)C(=O)N1CC[C@H](B(O)O)C1 585069281 KQGWDOYRHIVCNC-UWVGGRQHSA-N 264.090 -0.076 50 20 CBGD CNC(=O)NNC(=S)NCCc1ccccn1 726129832 YYCFPTHSVOLVNO-UHFFFAOYSA-N 253.331 -0.068 50 20 CBGD CCS(=O)(=O)CCNC(=O)NNC(=O)C(C)(C)C 727943475 KJHCHZBBBCYXBM-UHFFFAOYSA-N 279.362 -0.202 50 20 CBGD C[C@@H](CS(C)(=O)=O)NC(=O)NNC(=O)C1CCCC1 733662537 LQNMCEDDBVXISS-QMMMGPOBSA-N 291.373 -0.060 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1nccn1C 755697439 DHFWLBWTVTXUPP-QMMMGPOBSA-N 287.345 -0.802 50 20 CBGD Cn1[nH]cnc1=NC(=O)NNC(=O)Cc1ccncc1 757761465 OGDONPCVYIFXED-UHFFFAOYSA-N 275.272 -0.973 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCC1CCC1 758045822 PRUGVGQYCKELHA-MRVPVSSYSA-N 291.373 -0.348 50 20 CBGD CO[C@@]1(CNC(=O)NNC(=O)C2CCC2)CCOC1 763712541 JXHZESNDXISLDD-GFCCVEGCSA-N 271.317 -0.078 50 20 CBGD COc1ncccc1NC(=O)C(=O)NNC(=O)CC1CC1 764144559 XQCIDDHFQMWATL-UHFFFAOYSA-N 292.295 -0.024 50 20 CBGD COc1ccc(NC(=O)C(=O)NNC(=O)CO)c(C)c1 764422511 TVELZDMJPUCTSC-UHFFFAOYSA-N 281.268 -0.918 50 20 CBGD CC(C)C(=O)NNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 770749989 RNVVQZOZKORKRD-MRVPVSSYSA-N 293.389 -0.246 50 20 CBGD O=C(NNC(=O)C1(F)CCCC1)[C@H]1CCS(=O)(=O)C1 771854922 WCIQSZLLFZNKJR-QMMMGPOBSA-N 292.332 -0.149 50 20 CBGD Cc1nnc(NNC(=O)[C@@H]2CCCCO2)nc1O 772388150 OIDLAGNBYYXCBP-ZETCQYMHSA-N 253.262 -0.102 50 20 CBGD CC(=O)N1CCN(CC(=O)NNC(=O)C2CC2)C(C)(C)C1 775563578 CSWLGZYDBBVCBW-UHFFFAOYSA-N 296.371 -0.514 50 20 CBGD COC(=O)[C@H](C)n1cccc1C=NNC(=O)CO 776780129 WFMVBGNTYXJWPZ-QMMMGPOBSA-N 253.258 -0.336 50 20 CBGD CC(C)[C@@H](O)C(=O)NNc1nc(O)c2cnn(C)c2n1 796450212 UQWMKRSNKJYHNE-SSDOTTSWSA-N 280.288 -0.471 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 814255351 JLYRWQDAVBKENA-SECBINFHSA-N 288.311 -0.360 50 20 CBGD CCNCC1CCN(CC(=O)NNC(=O)C2CC2)CC1 843352466 HAFLTZYAFDFYQZ-UHFFFAOYSA-N 282.388 -0.135 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnn2ncccc12 843970062 BFDCROQGKGOHFH-RKDXNWHRSA-N 289.295 -0.085 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H](O)c1ccccn1 843970336 DUVVKODDADGTGC-NGZCFLSTSA-N 279.296 -0.313 50 20 CBGD Cc1ncc2n1C[C@H](C(=O)NNC(=O)C(C)(C)O)CC2 845993050 UKUWJMCNTXJCDX-SECBINFHSA-N 280.328 -0.328 50 20 CBGD Cc1cc(NNC(=O)Cn2nc(C)n(C)c2=O)ncn1 848369526 AUFOCZFOOLASOD-UHFFFAOYSA-N 277.288 -0.868 50 20 CBGD COCCN(C)NC(=O)Cn1cc(C(C)=O)nn1 848378213 LXBCKUOFBJUUSL-UHFFFAOYSA-N 255.278 -0.910 50 20 CBGD CC(C)N(C)C[C@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858467968 ZLRBLWHRAZNCEX-UWVGGRQHSA-N 299.375 -0.676 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc(Cl)ccn2)N1 862450276 PZAODUXOVLWNBX-ZETCQYMHSA-N 282.687 -0.225 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)C2[C@@H]3CCCC[C@@H]23)N1 862456042 LYXIRJWQNHVCHN-IWSPIJDZSA-N 265.313 -0.151 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2c(O)cccc2F)N1 862462692 ZOXRRJMLCFTFMU-SSDOTTSWSA-N 281.243 -0.429 50 20 CBGD O=C(NNC(=O)[C@H]1CCCC12OCCO2)c1cn[nH]c1 862470645 UDIAUTWURFMJQT-SECBINFHSA-N 280.284 -0.286 50 20 CBGD COC(=O)COCC(=O)NN=c1cc[nH]c(C)c1 862514324 XVTAKPAMXTYYFV-UHFFFAOYSA-N 253.258 -0.555 50 20 CBGD COCCOCC(=O)NNC(=O)c1cc(OC)ccn1 869903274 PHLUYECWNICZOQ-UHFFFAOYSA-N 283.284 -0.486 50 20 CBGD CNC(=O)C[C@H](C)NC(=O)NN=c1cc[nH]c(C)c1 875646058 BVWAGTFYVLXXQP-VIFPVBQESA-N 265.317 -0.037 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@]2(C)C[C@@H](O)CN2C)n1 900075690 BVWWSQJBARAPOF-MFKMUULPSA-N 279.344 -0.008 50 20 CBGD C=CCCn1cc(C(=O)NN(C)C[C@@H](C)O)nn1 910146597 LGDOWBIQUAGTKP-SECBINFHSA-N 253.306 -0.188 50 20 CBGD CCN(CC)C(=O)CCC(=O)NN(C)C[C@H](C)O 910165695 KCUKMVOYJZTASC-JTQLQIEISA-N 259.350 -0.021 50 20 CBGD Cc1ccnc2nc(C(=O)NN(C)C[C@H](C)O)nn12 910173786 ASHKTUQYVIGMOX-QMMMGPOBSA-N 264.289 -0.610 50 20 CBGD O=C(CNC(=O)c1ccncc1)NNC(=O)C1CC1 914830000 ODGZTVNLYWJHEG-UHFFFAOYSA-N 262.269 -0.631 50 20 CBGD CNC(=O)NNC(=O)CNC(=O)Nc1ccccc1 919879431 DETTVHOTQZFHSV-UHFFFAOYSA-N 265.273 -0.232 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)c1ccc[n+]([O-])c1 1115984052 BMIJFGZPLVPHRX-UHFFFAOYSA-N 272.264 -0.281 50 20 CBGD C#CCCCC(=O)NNC(=O)C1(S(C)(=O)=O)CC1 1119982825 CLBRHNLPNBTUKO-UHFFFAOYSA-N 272.326 -0.486 50 20 CBGD COC(OC)c1ccc(C(=O)NNC(=O)CO)o1 1261087876 XJWKAXDCMRWVQW-UHFFFAOYSA-N 258.230 -0.676 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)Nc1cccnc1 1261460998 VHVLUFPHOAYXGI-WPRPVWTQSA-N 292.295 -0.408 50 20 CBGD O=C(CCOC[C@@H]1CCCO1)N1CC[C@H](B(O)O)C1 1261844440 OMVDGQSZGVATAR-QWRGUYRKSA-N 271.122 -0.353 50 20 CBGD CC(C)N(C)CC(=O)NNC(=O)C(=O)Nc1ccccn1 1319267717 FTCABDVGBUCVPI-UHFFFAOYSA-N 293.327 -0.492 50 20 CBGD O=C(NNc1ncc(F)cn1)c1ccc2nnnn2c1 1319676418 WMDGUHCXLDGVKB-UHFFFAOYSA-N 274.219 -0.190 50 20 CBGD CN(C)N(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCS(=O)(=O)C1 1324127754 HFCLLAIVCYDHQO-LLVKDONJSA-N 296.352 -0.008 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCn1cnccc1=O 1326361918 BEBDATBGZMDWRJ-UWVGGRQHSA-N 294.311 -0.794 50 20 CBGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNc1cnnn1C 1328570773 ZMWGNEMUSRLGMX-UHFFFAOYSA-N 280.248 -0.628 50 20 CBGD COCCOCC(=O)NNC(=O)/C=C\c1cnn(C)c1 1329979115 WBSBMROEYJEVOG-ARJAWSKDSA-N 282.300 -0.756 50 20 CBGD Cc1onc(CO)c1C(=O)NNC(=O)[C@H]1CCO[C@H]1C 1346482157 VKJUBAHVDKMUCS-XPUUQOCRSA-N 283.284 -0.339 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCSC(C)C 1346685629 MNLJOAUUGZSOLK-UHFFFAOYSA-N 263.319 -0.369 50 20 CBGD O=C(CN1C(=O)CCC1=O)NNc1ncc(Cl)cn1 1528548355 FGIWKQLBYBHMIB-UHFFFAOYSA-N 283.675 -0.278 50 20 CBGD O=C(CN1CCCNC1=O)NNc1ncccc1C(=O)O 1574527349 XYFOBQMFLMMSHK-UHFFFAOYSA-N 293.283 -0.362 50 20 CBGD CCc1noc2ncc(C(=O)NNC(=O)[C@H]3CCN3)cc12 1578336469 PZFBHTLVLPANQM-SNVBAGLBSA-N 289.295 -0.092 50 20 CBGD N#C[C@@H]1CNC[C@@H]1NC(=O)NN=c1cc[nH]c2cccnc12 1580043931 SSVVFLDNKFTGFG-SKDRFNHKSA-N 297.322 -0.211 50 20 CBGD O=C(NNC(=O)[C@@H]1CCN1)c1cc(Br)n[nH]1 1580732785 JIIFQMIRKGOBLQ-BYPYZUCNSA-N 288.105 -0.705 50 20 CBGD CC(C)(C)[C@@H](C(=O)O)C(=O)NNC(=O)c1ccnnc1 1588633363 HVVIARRFQOWWLI-MRVPVSSYSA-N 280.284 -0.016 50 20 CBGD CNC(=O)NNC(=O)Cc1ccc(C(=O)O)cc1 1598650790 LVTNSQDBEICZEQ-UHFFFAOYSA-N 251.242 -0.113 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@]1(C)C(=O)O 1599927775 GZCRMGBDRNUBGF-SDBXPKJASA-N 283.328 -0.414 50 20 CBGD Cc1nnc(NNC(=O)c2ccc(C(=O)O)nc2)n1C 1600798375 HHYLUVBTTKDHQP-UHFFFAOYSA-N 276.256 -0.026 50 20 CBGD C#CCNC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1602722110 AGXQLVGEMIOMFQ-UHFFFAOYSA-N 258.245 -0.479 50 20 CBGD Cc1noc(C)c1CCCNC(=O)NNC(=O)C(=O)O 1608023746 YDRAICDNFLQQON-UHFFFAOYSA-N 284.272 -0.361 50 20 CBGD COCC(=O)NN=Cc1nc(-c2nn[nH]n2)cs1 1609316260 PNEGWAFFRZUMCW-UHFFFAOYSA-N 267.274 -0.580 50 20 CBGD CN(C)c1nc(CNC(=O)NNC(=O)C(=O)O)cs1 1610107197 ODFZEUXCQCPELB-UHFFFAOYSA-N 287.301 -0.876 50 20 CBGD CC(C)NC(=O)/C(C#N)=C/c1cn(C)c(=O)n(C)c1=O 25251480 MKSRWQXERRRHNJ-WEVVVXLNSA-N 276.296 -0.484 50 20 CBGD CCOC(=O)NCCC(=O)NNC(=O)[C@@H]1CCCO1 43109077 LOPNLSAYLFVDFK-QMMMGPOBSA-N 273.289 -0.551 50 20 CBGD C[C@@]12CCC(=O)N1[C@H](C(=O)NNC(=O)NC1CC1)CS2 49150747 OOVLEYMBGGUXTQ-QPUJVOFHSA-N 298.368 -0.067 50 20 CBGD CNC(=O)NNC(=O)CNC(=O)c1cccs1 139306972 OKEGXAWWCHAUFH-UHFFFAOYSA-N 256.287 -0.562 50 20 CBGD CCOC(=O)C(C)(C)C(=O)NNC(=O)CN(C)C 270802035 WSIWURHBABYDCI-UHFFFAOYSA-N 259.306 -0.715 50 20 CBGD C[C@]1(NCC(=O)NNC(=O)c2ccccc2)CCOC1=O 289595879 QBLUCPFZXLGIHF-AWEZNQCLSA-N 291.307 -0.257 50 20 CBGD CC(C)(C)CC(=O)NCC(=O)NNc1nnc[nH]1 294080882 YYRBOJUIOQUAGK-UHFFFAOYSA-N 254.294 -0.200 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1C[C@H](C)CC(=O)N1 294160012 PJWYOEYMENWVSI-IUCAKERBSA-N 286.332 -0.732 50 20 CBGD C[C@H]1C(=O)NCCCN1S(=O)(=O)CBr 364541812 DBIYSEJNBPGFGS-LURJTMIESA-N 285.163 -0.121 50 20 CBGD CCO/C=C(\C#N)C(=O)NCC(=O)NCCOC 490755954 XVEAONKTGITPHT-CMDGGOBGSA-N 255.274 -0.691 50 20 CBGD CN(NC(=S)NCC(N)=O)C(=O)OC(C)(C)C 491113470 HEIMOYJTMKKOKX-UHFFFAOYSA-N 262.335 -0.282 50 20 CBGD COC(=O)NNS(=O)(=O)c1cc(Cl)cnc1N 493994490 BUQVTHAFBYGUMS-UHFFFAOYSA-N 280.693 -0.134 50 20 CBGD CC(=O)N(C)CCCC(=O)Nc1cccc(B(O)O)c1 584911989 BPCMPPRBBLDTNX-UHFFFAOYSA-N 278.117 -0.437 50 20 CBGD COCCN(C(=O)c1cccc(B(O)O)c1)C1CC1 584978777 XIGPAYDTADGKGT-UHFFFAOYSA-N 263.102 -0.383 50 20 CBGD O=C(N[C@@H]1C[C@@H]2CCCCN2C1)c1ccc(B(O)O)cc1 584997847 KPUMRQIAMMSSNN-KGLIPLIRSA-N 288.156 -0.277 50 20 CBGD C[C@](CO)(CCF)NC(=O)c1ccc(B(O)O)cc1 585010630 NYQDNMXYUZDMTQ-GFCCVEGCSA-N 269.081 -0.793 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)o1)C(=O)N1CCCC[C@H]1C 585019904 JNLMVPXZTMLWGO-GHMZBOCLSA-N 294.160 -0.162 50 20 CBGD CN1CCC[C@@H](NCc2ccc(B(O)O)cc2F)C1=O 585027165 XXPTWYVHGSGRAJ-GFCCVEGCSA-N 280.108 -0.784 50 20 CBGD CC[C@H](CCO)CNCc1cccc(B(O)O)c1 585028743 PYEVNTZFPZXOCI-LLVKDONJSA-N 251.135 -0.135 50 20 CBGD CCCN1C[C@@H](NCc2cccc(B(O)O)c2)CC1=O 585048005 IORPKOHBSMUARG-ZDUSSCGKSA-N 276.145 -0.533 50 20 CBGD CCCn1nccc1C(=O)N1CC[C@@H](B(O)O)C1 585065381 CSVLMWMLKWZVNI-SECBINFHSA-N 251.095 -0.018 50 20 CBGD CCCC[C@H](NC(N)=O)C(=O)N1CC[C@H](B(O)O)C1 585076032 KFKJJDAGDNVQKL-IUCAKERBSA-N 271.126 -0.711 50 20 CBGD COCC[C@@H](C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 726261904 VVLCGVBQONIJIR-MWLCHTKSSA-N 293.389 -0.208 50 20 CBGD CN(C)c1ccc(C=NNC(=O)C(N)=O)cc1F 727650649 PKMMDSGTYVKEOK-UHFFFAOYSA-N 252.249 -0.173 50 20 CBGD COc1ncc(C(=O)NNC(=O)NCC(F)(F)F)cn1 734026695 XGLGXPZSDOUBSY-UHFFFAOYSA-N 293.205 -0.009 50 20 CBGD Cc1ncc(CO)c(C=NNC(=O)C(=O)NC(C)C)c1O 744812941 XENVOFMNBKVJQD-UHFFFAOYSA-N 294.311 -0.437 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)NC2)cc1 747171913 SYVOLPLMTUSTQZ-LLVKDONJSA-N 286.291 -0.155 50 20 CBGD COCCO[C@H](C)C(=O)NN=Cc1ccnn1C 748254312 YMACJRNTAVPYDV-SECBINFHSA-N 254.290 -0.078 50 20 CBGD CC[C@@H](C)C(=O)NN=Cc1c(N)n(C)c(=O)n(C)c1=O 749814560 FGPUPBOFVZWTPM-SSDOTTSWSA-N 281.316 -0.838 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C1CCCC1)C(=O)N(C)C 753034211 GAYPHIGMUZVPFN-MRVPVSSYSA-N 270.333 -0.016 50 20 CBGD O=C(CO)NNC(=O)c1cc2ccccc2nc1O 753453172 ZMDXZFFEOCPHOX-UHFFFAOYSA-N 261.237 -0.306 50 20 CBGD COC(=O)CCC(C)=NNC(=O)[C@H](C)NS(C)(=O)=O 756888576 DKKVQISFTOTWKV-QMMMGPOBSA-N 293.345 -0.631 50 20 CBGD CC[C@@H]1CC[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)O1 756924754 OQPBZMUAYCHPJH-ZJUUUORDSA-N 283.328 -0.286 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H](NS(C)(=O)=O)C(C)C 768411917 COXQPIQOZXKCHE-QMMMGPOBSA-N 294.377 -0.747 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CCC(=O)N2C)n1 771605015 CDGOXLSMMVMIAE-SNVBAGLBSA-N 293.327 -0.732 50 20 CBGD CC(=NNC(=O)CO)c1cccc(S(N)(=O)=O)c1 776779249 CLWKUBJDIUBZAV-UHFFFAOYSA-N 271.298 -0.834 50 20 CBGD CCOc1cnc(C(=O)NNC(=O)NCCCOC)cn1 777778403 PYLVKDAFBWAIPF-UHFFFAOYSA-N 297.315 -0.144 50 20 CBGD COc1cccc(OCC(=O)NNC(=O)CO)c1 777782068 XCXJYLVXRGCSFE-UHFFFAOYSA-N 254.242 -0.786 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@@H](COC)OC 781388255 TXECKGJUTWWMMC-QMMMGPOBSA-N 263.294 -0.985 50 20 CBGD Cn1cc(C(=O)NNC(=O)CO)c(-c2ccoc2)n1 790918947 FPVISSPHAUSDMD-UHFFFAOYSA-N 264.241 -0.567 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCO[C@@]2(CCO[C@@H]2C)C1 791586401 DEBURWOADUTBPO-WDMOLILDSA-N 299.371 -0.188 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](O)c1cccnc1 803956866 HOROKBCKPMTIAZ-GZMMTYOYSA-N 295.295 -0.396 50 20 CBGD COCC1(C(=O)NNC(=O)c2c[nH]nc2C)CCOCC1 810363919 HXWQAQZMIUVQSO-UHFFFAOYSA-N 296.327 -0.078 50 20 CBGD C[C@]1(NNC(=O)NCCCC(=O)O)CCS(=O)(=O)C1 818080545 QRXOTMKBSSVYAW-JTQLQIEISA-N 293.345 -0.768 50 20 CBGD CN(NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C1CC1 819644005 XUSVOWHZLHNAPE-JTQLQIEISA-N 275.374 -0.074 50 20 CBGD CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CC(N)=O)o1 820203077 PLRRJWYDNCPYBD-UHFFFAOYSA-N 294.275 -0.703 50 20 CBGD C#C[C@H](C)NC(=O)NNc1nc(O)c2cnn(C)c2n1 820434820 AEXQXAGWWDWDLP-LURJTMIESA-N 275.272 -0.283 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CCc2cncn2C1 823798114 AVYXFCNUSJCNDC-QMMMGPOBSA-N 251.290 -0.204 50 20 CBGD C[C@@H](CN(CC(=O)NNC(=O)C1CC1)C1CC1)C(=O)O 827450194 TWBPPOJTZXZDDZ-QMMMGPOBSA-N 283.328 -0.271 50 20 CBGD CCN(CC(=O)NNC(=O)C(C)C)CC(C)(C)O 827820558 BUHFVXYGPZZUKX-UHFFFAOYSA-N 259.350 -0.117 50 20 CBGD C[C@H](N)C[C@H](C)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 831202359 DUODLHVOHFXYNY-QXEWZRGKSA-N 292.405 -0.507 50 20 CBGD Cc1nc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)nn1C 831827627 QXCYSYSUTYGFIU-POYBYMJQSA-N 282.304 -0.299 50 20 CBGD Cc1nn(C)cc1CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843657970 FKHADEDFYIQNGK-KOLCDFICSA-N 280.328 -0.157 50 20 CBGD Cc1cccnc1NNC(=O)[C@@H]1CCS(=O)(=O)N1 846002622 RKWWWOMCLOULFS-QMMMGPOBSA-N 270.314 -0.475 50 20 CBGD C=CCNC(=S)NNC(=O)Cn1nnc2c1CCCC2 847285009 BHNQWLVLFLXRRV-UHFFFAOYSA-N 294.384 -0.162 50 20 CBGD O=C(C[C@H]1CCC(=O)N1)NNC(=O)[C@@H]1CCCCO1 854682624 CTIUIRZDSJRHKG-BDAKNGLRSA-N 269.301 -0.628 50 20 CBGD CC(=O)N1CC[C@@H](NC(=O)NNc2ncncc2F)C1 856913658 GCJSVNZUNJPGDQ-MRVPVSSYSA-N 282.279 -0.137 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H](NC=O)C(C)C 858125905 PIAKWQRSOQVZFS-QMMMGPOBSA-N 258.347 -0.562 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@H]1C(N)=O 859665069 NSYLMIZOHNZRGM-UWVGGRQHSA-N 284.360 -0.482 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cn(C2CC2)nn1 862095446 LSIJJLKTIYZXJL-APPZFPTMSA-N 279.300 -0.201 50 20 CBGD CCCc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)n[nH]1 862449655 INJZTBSZZZWMJV-QMMMGPOBSA-N 279.300 -0.598 50 20 CBGD Cc1cnc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C)c1 862461421 PAGOJDLLSRWUAK-SECBINFHSA-N 276.296 -0.262 50 20 CBGD CS[C@H](C)CC(=O)NNC(=O)CS(C)(=O)=O 863464221 KHLXVGYOYCPGOD-ZCFIWIBFSA-N 268.360 -0.680 50 20 CBGD OB(O)c1ccccc1CN[C@@H]1CCN(CC(F)F)C1 863889837 JQRDYPDYKUHVNR-LLVKDONJSA-N 284.115 -0.205 50 20 CBGD COCCOCC(=O)NNC(=O)c1ncccc1F 869903627 XRIYJANXJQGLHU-UHFFFAOYSA-N 271.248 -0.355 50 20 CBGD COCCOCC(=O)NN=Cc1cnc(N(C)C)nc1 872400672 OPYWTFRIOOZMEZ-UHFFFAOYSA-N 281.316 -0.344 50 20 CBGD CC1CCN(CC(=O)NNC(=O)c2cccnn2)CC1 882057447 CLAZESFTLMARSK-UHFFFAOYSA-N 277.328 -0.031 50 20 CBGD CN(C[C@H](O)CO)C(=O)[C@@]1(C)C[C@H]1Br 907193559 YWUQUNFLPLWPFF-OOZYFLPDSA-N 266.135 -0.029 50 20 CBGD CNC(=S)N(C)NC(=O)CONC(=O)OC(C)(C)C 909992213 BGHOUZZXNVUGSR-UHFFFAOYSA-N 292.361 -0.090 50 20 CBGD CCN1CCN(CCC(=O)NN(C)C[C@H](C)O)CC1 910162273 FJJICSCHMXIUGP-LBPRGKRZSA-N 272.393 -0.642 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CC(F)(F)F 920299588 IVNOPFKXUZEGCS-SCSAIBSYSA-N 291.251 -0.976 50 20 CBGD O=C(NNC(=S)NCC(F)(F)F)C(=O)N1CCCC1 1115938928 CCIKJICUVIEZJH-UHFFFAOYSA-N 298.290 -0.334 50 20 CBGD COc1cc(C=NNC(=O)C(N)=O)ccc1[N+](=O)[O-] 1116449653 UPVOPZLAMIAQHM-UHFFFAOYSA-N 266.213 -0.461 50 20 CBGD Cn1ncc(C(=O)NNc2ncc(F)cn2)c1N 1116574405 FZULRIUSRAHNOM-UHFFFAOYSA-N 251.225 -0.312 50 20 CBGD COC(=O)c1c(F)cccc1NC(=O)C(=O)NNC(C)=O 1116599019 YNYRPXXKYYKWTH-UHFFFAOYSA-N 297.242 -0.282 50 20 CBGD Cc1nn(C)c(NC(=O)C(=O)NNC(=O)C2CC2)c1C 1116619393 XPNUHDNPAKJTDR-UHFFFAOYSA-N 279.300 -0.467 50 20 CBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(F)c[nH]1 1117742235 NFCMMQHCOLZUEK-ZCFIWIBFSA-N 289.288 -0.651 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ncc[nH]1 1118279000 CLFSFEKVZHIWMH-RKDXNWHRSA-N 266.301 -0.085 50 20 CBGD NC(=O)NCCCCC(=O)NNC(=O)c1ccncc1 1251257548 UFHJSWZNVAJARI-UHFFFAOYSA-N 279.300 -0.319 50 20 CBGD CCOC(=O)NNC(=O)c1ccc(=O)n(CC)n1 1318398359 RWUBCCQDBHUPOB-UHFFFAOYSA-N 254.246 -0.346 50 20 CBGD NC(=O)c1ccc(NNC(=O)c2ccncc2)nn1 1319075089 KKHMDGKBCLOWNI-UHFFFAOYSA-N 258.241 -0.273 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H](CCO)CC(C)C 1319095622 RHWBOQGVUIDGKF-VIFPVBQESA-N 289.332 -0.466 50 20 CBGD CCCNC(=O)NNC(=O)COCc1nncn1C 1327812689 VOUNVRVCMFCPBJ-UHFFFAOYSA-N 270.293 -0.928 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CCn2ccnc2C1 1329805582 DDAKIHWCKHYDGE-SNVBAGLBSA-N 252.318 -0.209 50 20 CBGD Cc1c[nH]nc1C=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1330310189 FCIBTFDOABWQEU-MRVPVSSYSA-N 270.314 -0.397 50 20 CBGD COC(=O)COCCNS(=O)(=O)CBr 1331592204 ZVGJVOMYIJBART-UHFFFAOYSA-N 290.135 -0.552 50 20 CBGD CO[C@H](C)CS(=O)(=O)NNC(=O)c1cn[nH]c1 1331833004 FXHQALBIKWRDMN-ZCFIWIBFSA-N 262.291 -0.991 50 20 CBGD COC(=O)NC(C)(C)C(=O)N1CC[C@@H](B(O)O)C1 1331897727 ZEFSCQGVLMUYNA-SSDOTTSWSA-N 258.083 -0.804 50 20 CBGD COc1ccc(S(=O)(=O)CCC(=O)NN)cc1 1332451671 SOEXJIFHWGBWFX-UHFFFAOYSA-N 258.299 -0.151 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNc1ncnc2[nH]cnc12 1339605349 RTAZPKZBQFAQCB-YFKPBYRVSA-N 263.261 -0.679 50 20 CBGD CCC(CC)(CNC(=O)NNC(=O)c1ncon1)C(=O)O 1573784002 YFFDAKXQQVJFSX-UHFFFAOYSA-N 299.287 -0.095 50 20 CBGD O=C(NNC(=O)c1ccc(C(=O)O)[nH]1)c1cn[nH]c1 1574819589 OAOOIABRAHSNCR-UHFFFAOYSA-N 263.213 -0.489 50 20 CBGD C[C@@H](C(=O)NN(C)C(=O)N1CCNCC1)c1cnccn1 1575069181 KDMWBVIPJQCHTA-SNVBAGLBSA-N 292.343 -0.432 50 20 CBGD Cc1nnc(NNC(=O)NCC23CC(CN2)C3)n1C 1579912663 JNTVHMZWKXLWOJ-UHFFFAOYSA-N 265.321 -0.498 50 20 CBGD N[C@H]1CC[C@H](C(=O)NNC(=O)c2cc[nH]n2)CC1 1580415495 PJIQVVAPIKCHMV-ZKCHVHJHSA-N 251.290 -0.312 50 20 CBGD C[C@@H](CC(=O)NNc1ncccc1C(=O)O)NC(N)=O 1588988836 MFPFOTSXCZVUAX-LURJTMIESA-N 281.272 -0.330 50 20 CBGD Cc1cc(C(=O)NN(C)C[C@@H](C)O)ncc1-c1nn[nH]n1 1591929321 WUYYDUQZUHFBFE-MRVPVSSYSA-N 291.315 -0.472 50 20 CBGD O=C(NNC(=O)[C@H]1CCCO1)c1c[nH]c(-c2nn[nH]n2)c1 1593156042 IMFZYOCCCUBGBF-MRVPVSSYSA-N 291.271 -0.865 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1csnn1 1593162861 CKIBEOZQMMZSLC-UHFFFAOYSA-N 289.284 -0.130 50 20 CBGD Cc1nnc(NNC(=O)NC[C@H](F)C(=O)O)n1C 1600798499 LJRPFSAMEUOZOY-YFKPBYRVSA-N 260.229 -0.828 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(CC(=O)O)cc1 1604860577 WTHSSUCFBXESNH-UHFFFAOYSA-N 293.279 -0.190 50 20 CBGD O=C(NNC(=O)c1ccc(=O)[nH]c1)c1cccnc1 21876870 LTQMNOLZTJMQAY-UHFFFAOYSA-N 258.237 -0.155 50 20 CBGD CC1CCN(CC(=O)NNC(=O)CN(C)C)CC1 131681465 VAMMAPRYOJKBSZ-UHFFFAOYSA-N 256.350 -0.573 50 20 CBGD CN1C(=O)C[C@@H](NS(=O)(=O)CCCCCl)C1=O 228335991 RLWRXSAUOSXOHL-SSDOTTSWSA-N 282.749 -0.318 50 20 CBGD CCO/C=C(\C#N)C(=O)N(C)CC(C)(CO)CO 272772092 SNMXEDBAFVSPQC-UXBLZVDNSA-N 256.302 -0.120 50 20 CBGD C[C@](O)(C(=O)NNC(=O)Cc1cccnc1)C1CC1 286203967 RSYRLDQLBHWRHW-CYBMUJFWSA-N 263.297 -0.068 50 20 CBGD C#CCO[C@H](C)C(=O)NNC(=O)Cn1nc(C)cc1C 294253712 FUCSIMUJXDJYJR-LLVKDONJSA-N 278.312 -0.314 50 20 CBGD Cn1nccc1/C=C/C(=O)NNC(=O)N1CCOCC1 299391897 RORDCIBQWCGUQS-NSCUHMNNSA-N 279.300 -0.494 50 20 CBGD CCC[C@@H](C#N)NC(=O)c1ccc(B(O)O)c(F)c1 584936005 BRFSNMLVQHCQKO-VIFPVBQESA-N 264.065 -0.072 50 20 CBGD O=C(NCC(=O)N1CCCCC1)c1ccc(B(O)O)cc1 584945363 XXVAISKLEVEHDE-UHFFFAOYSA-N 290.128 -0.891 50 20 CBGD CN(C[C@H]1CCOC1)C(=O)c1ccc(B(O)O)cc1 584960426 LDDHNGGXWBNKGX-SNVBAGLBSA-N 263.102 -0.525 50 20 CBGD C[C@H](O)CCCNC(=O)c1ccc(B(O)O)cc1 584983497 OMNFEPDAEJSYAZ-VIFPVBQESA-N 251.091 -0.743 50 20 CBGD CC(C)[C@H](NCc1ccccc1B(O)O)C(=O)N(C)C 585018995 YVUQXTCQEKUMHT-ZDUSSCGKSA-N 278.161 -0.431 50 20 CBGD C[C@H](CCS(C)(=O)=O)NCc1ccc(B(O)O)cc1 585030814 JIMRRDZAXMTZHZ-SNVBAGLBSA-N 285.174 -0.721 50 20 CBGD CC(C)NC(=O)[C@H](C)NCc1ccc(B(O)O)cc1F 585046548 SQOGLVPNNROOOD-VIFPVBQESA-N 282.124 -0.492 50 20 CBGD Cc1cc(S(=O)(=O)NCB(O)O)cnc1Cl 585055953 LRYFSFJNIZFOAQ-UHFFFAOYSA-N 264.499 -0.666 50 20 CBGD CC(=O)N(CCc1ccccc1)CC(=O)NCB(O)O 585062792 NGKKFTVNOBLUJR-UHFFFAOYSA-N 278.117 -0.794 50 20 CBGD CC(C)(C)C(=O)NNC(=O)Cn1cccc([N+](=O)[O-])c1=O 742452308 YQYXIMRJBSPMNF-UHFFFAOYSA-N 296.283 -0.050 50 20 CBGD COC(=O)c1ccc(C=NNC(=O)CN2CCCC2=O)[nH]1 747630983 XVAKMLUJOALXHR-UHFFFAOYSA-N 292.295 -0.126 50 20 CBGD O=C(CO)NNC(=O)CSc1ccc2c(c1)OCCO2 753445351 YLTPMLWHIUPQBW-UHFFFAOYSA-N 298.320 -0.310 50 20 CBGD NC(=O)c1ccc(NNC(=O)CCCn2cccn2)nn1 757405227 IXWOMLILFGSYRC-UHFFFAOYSA-N 289.299 -0.305 50 20 CBGD COC(=O)[C@]1(C)CCCN1CC(=O)NNC(=O)C1CC1 759840291 DXBWZJOFQNWFGE-ZDUSSCGKSA-N 283.328 -0.429 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2c(O)cccc2O)cn1 770408894 SMKZXWBSGQPAOS-UHFFFAOYSA-N 276.252 -0.094 50 20 CBGD CCC(=O)N1CCC[C@H](C(=O)NN(C)C(N)=O)C1 778415508 YPSGYOLOUBPCDN-QMMMGPOBSA-N 256.306 -0.323 50 20 CBGD CN(NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(N)=O 778956174 WFXJCZFPLCVHAC-UHFFFAOYSA-N 282.212 -0.021 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)c1cccc(C#N)c1 780929804 DTNQNZQWXFMKKP-UHFFFAOYSA-N 274.280 -0.155 50 20 CBGD COC1(C(=O)NNC(=O)[C@H]2CCCCO2)CCOCC1 803659498 SOXGHDGKYDXLPG-SNVBAGLBSA-N 286.328 -0.102 50 20 CBGD C=C[C@@](C)(O)CC(=O)NNC(=O)C(=O)N1CCCC1 810276014 ZKCXESSMIUOSJD-GFCCVEGCSA-N 269.301 -0.917 50 20 CBGD COCCN1C[C@@H](C(=O)NNC(=O)CC2CC2)CC1=O 819123283 VWOUSLCEQPZBEE-JTQLQIEISA-N 283.328 -0.571 50 20 CBGD C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NN(C)C1CC1 819650342 IRGKPRLPOIXLBP-OIBJUYFYSA-N 255.318 -0.613 50 20 CBGD CO[C@H](C)CNC(=O)NNc1nc(O)c2cnn(C)c2n1 821718305 MTHADZYYPXXMKF-ZCFIWIBFSA-N 295.303 -0.270 50 20 CBGD NC(=O)CC(=O)NNc1cccc(-c2nn[nH]n2)c1 826390681 IWLKURZWGOJODZ-UHFFFAOYSA-N 261.245 -0.815 50 20 CBGD O=C(NNc1cccnn1)c1ccc(-c2nn[nH]n2)[nH]1 826449329 MPYADXHNAOBPMO-UHFFFAOYSA-N 271.244 -0.258 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(CN)CC1 843344974 KHXBLTCDTKSNIO-SECBINFHSA-N 256.350 -0.397 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCC(=O)C1 843964954 HCAVGXVBLAXYAQ-OYNCUSHFSA-N 254.286 -0.072 50 20 CBGD Cc1[nH]nc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1O 843980091 RFRYAJGOOSAOOX-RNFRBKRXSA-N 268.273 -0.390 50 20 CBGD O=C(CCCn1cncn1)NNC(=O)c1cc[nH]n1 855358560 OHKAYMHRYRMEOF-UHFFFAOYSA-N 263.261 -0.757 50 20 CBGD CC[C@@H]1OCC[C@H]1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858536438 HUKXLIPHMBBKKQ-HLTSFMKQSA-N 284.316 -0.837 50 20 CBGD Cc1c[nH]ccc1=NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 860849528 VIOBJUGLZAVMLZ-VIFPVBQESA-N 277.284 -0.757 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)NC[C@@H]2COCO2)cn1 861979165 ANOVJEGVQMNDOL-IADHUWGXSA-N 262.269 -0.184 50 20 CBGD CC(C)OCCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862462531 YACUNJZDUFZIQR-VIFPVBQESA-N 271.317 -0.382 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)c1cn[nH]c1 862475101 YZGWOUPPZQQKGE-ZCFIWIBFSA-N 253.262 -0.915 50 20 CBGD CCS[C@H](C(=O)NNC(=O)CS(C)(=O)=O)C(C)C 863460620 FHUFFEYBONBEFE-VIFPVBQESA-N 296.414 -0.044 50 20 CBGD CC1(C)C[C@H](NC(=O)c2cc(B(O)O)ccc2F)C(=O)O1 863877787 JQOYIVPFLFLUSP-JTQLQIEISA-N 295.075 -0.671 50 20 CBGD CC(C)[C@@H](CO)ONC(=O)c1ccc(B(O)O)cc1 863886126 UWOOMGOGLWEXDC-LLVKDONJSA-N 267.090 -0.955 50 20 CBGD CC(=O)N[C@](C)(C(=O)NNC(=O)CN(C)C)C(C)C 894133384 JVSNCWCREDHQGH-LBPRGKRZSA-N 272.349 -0.754 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1CCCC(=O)N1C 906417062 IGANPHDUKSUFIV-SECBINFHSA-N 286.332 -0.636 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1nnc2ccccc2n1 910149154 ARNIMNDTVXCVAM-QMMMGPOBSA-N 261.285 -0.018 50 20 CBGD CCC(=O)N1CC[C@@H](C(=O)NN(C)C[C@H](C)O)C1 910159742 CJBPBKRLVKWUNL-VHSXEESVSA-N 257.334 -0.411 50 20 CBGD C[C@H](O)CN(C)NC(=O)CNC(=O)Cc1cccc(F)c1 910171395 VRJAKXXJDRHIIM-JTQLQIEISA-N 297.330 -0.172 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21 911503423 UBZKEIOXIXSOTH-MVBDTIADSA-N 266.297 -0.216 50 20 CBGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)N=c1cc[nH]cc1 1116937285 WTQFXVKDUINGJR-VIFPVBQESA-N 292.299 -0.801 50 20 CBGD Cn1cncc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccnnc1 1118910974 SQUSTCCHIMBHGW-NXEZZACHSA-N 286.295 -0.225 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCC2(CCNC2=O)CC1 1119265685 SBZQRDRPYRMHNV-UHFFFAOYSA-N 296.371 -0.608 50 20 CBGD O=C(CN1CCC(CO)CC1)NNC(=O)[C@H]1CCCCO1 1120654040 GIUMQTXHTVNGSD-GFCCVEGCSA-N 299.371 -0.593 50 20 CBGD CC1CC(C#N)(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1252868316 FTLBIHIZJGIGEK-NBBOBHDQSA-N 299.352 -0.492 50 20 CBGD C[S@@](=O)CCNC(=O)NNC(=O)c1cccc(C#N)c1 1318600215 PRRHKEIMQRCIOO-HXUWFJFHSA-N 294.336 -0.119 50 20 CBGD O=C(NN=Cc1cscn1)N[C@H]1CCS(=O)(=O)C1 1321993556 RWWWISUKXIRPAK-ZETCQYMHSA-N 288.354 -0.037 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2nnnn2CC1)NC1CC1 1326495751 BKCRKIXFADPLIS-ZETCQYMHSA-N 279.304 -0.882 50 20 CBGD O=C(NNC(=O)c1ccc(Cl)cn1)C(=O)NC1CC1 1328900611 YWWOVAVAJWRRKM-UHFFFAOYSA-N 282.687 -0.225 50 20 CBGD Cn1cc(Cl)c(C(=O)N2CC[C@@H](B(O)O)C2)n1 1329215561 OWSBOJZRUODSQL-ZCFIWIBFSA-N 257.486 -0.238 50 20 CBGD CCn1cc(C(=O)N2CC[C@@H](B(O)O)C2)c(C)n1 1329658033 ZBOQMQNEWWOMAG-SECBINFHSA-N 251.095 -0.100 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCn2cncc2C1 1332175000 JFMSHXIHXJUFOM-NXEZZACHSA-N 252.318 -0.211 50 20 CBGD O=C(CO)NNC(=O)CCc1nc(-c2ccccn2)no1 1337336895 QAIGQYWZSLJTCA-UHFFFAOYSA-N 291.267 -0.796 50 20 CBGD CNc1nnc(CC(=O)NNC(=O)Cc2cc[nH]n2)s1 1342465318 XRFHRIKIEHCFBJ-UHFFFAOYSA-N 295.328 -0.765 50 20 CBGD N#Cc1cccc(NC(=O)C(=O)NNC(=O)C2CCC2)n1 1345813496 UTSZDFRVGSSOML-UHFFFAOYSA-N 287.279 -0.161 50 20 CBGD Cc1nnc(O)c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1C 1346067164 CPDKLRTUJQMRRF-RKDXNWHRSA-N 294.311 -0.015 50 20 CBGD Cc1nnc(NNC(=O)c2cnc(N(C)C)cn2)nc1O 1346491841 MYWIBRFLZDHRBE-UHFFFAOYSA-N 290.287 -0.501 50 20 CBGD Cn1nncc1NNC(=O)[C@H]1CCc2ncncc2C1 1347987686 GXZKQQRURBMVSC-QMMMGPOBSA-N 273.300 -0.147 50 20 CBGD Cc1cnn(CCC(=O)N2CC[C@@H](B(O)O)C2)c1 1348490007 KFQDEDSBQCSCMC-SNVBAGLBSA-N 251.095 -0.343 50 20 CBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)c1cccn1C 1520747560 QBUTVUOQIVPJFB-ZYHUDNBSSA-N 291.355 -0.826 50 20 CBGD C#CCCCC(=O)NNC(=O)c1cc(C(=O)O)on1 1573303739 RNPYHAAJAGDRKV-UHFFFAOYSA-N 265.225 -0.063 50 20 CBGD O=C1CC[C@H](C(=O)NNc2ncccc2C(=O)O)CN1 1574825151 MZRSHJPNOTUNLD-ZETCQYMHSA-N 278.268 -0.251 50 20 CBGD CC(C)(O)C(=O)NN=C1CCN(CCC(=O)O)CC1 1590882833 PQLCLJUSBLVZPA-UHFFFAOYSA-N 271.317 -0.200 50 20 CBGD C[C@@H](O)c1ncc(C=NNC(=O)NCC(=O)O)s1 1593481376 JKIPJPKFLMPFNF-RXMQYKEDSA-N 272.286 -0.086 50 20 CBGD Cc1cc(NNC(=O)[C@@]2(C(=O)O)CCCO2)nc(N)n1 1594325146 CHSKSZFFJBQCKS-LLVKDONJSA-N 281.272 -0.556 50 20 CBGD CCN(CCO)NC(=O)Cc1ccc(C(=O)O)nc1 1596341035 WTQUTMPUEWIMGF-UHFFFAOYSA-N 267.285 -0.332 50 20 CBGD COc1ccc(C)cc1CCNC(=O)NNC(=O)C(=O)O 1599533485 OOZLMYKLWBTARM-UHFFFAOYSA-N 295.295 -0.039 50 20 CBGD C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)CC[C@H]1C(=O)O 1599925472 PTDNWPWUKGHWGN-JOYOIKCWSA-N 291.112 -0.451 50 20 CBGD O=C(NNC(=O)C1CCOCC1)N[C@H]1C[C@H](C(=O)O)C1 1601553380 FWDVUODCMRMTIW-KYZUINATSA-N 285.300 -0.393 50 20 CBGD C[C@H]1CC[C@@H](C(=O)O)CN1C(=O)c1cccc(B(O)O)c1 1603388718 OWYUDPFKAIDZSD-GXSJLCMTSA-N 291.112 -0.308 50 20 CBGD O=C(NCCF)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1606775651 AOZBTYLZGAEVDK-UHFFFAOYSA-N 293.262 -0.220 50 20 CBGD CO[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)C(=O)O 1607005150 AOVPJLNZMGHPSO-BQBZGAKWSA-N 259.262 -0.641 50 20 CBGD O=C(O)c1ccc(CC(=O)N2CC[C@@H](B(O)O)C2)cn1 1608879333 DJFUFAVAZSUEFO-SECBINFHSA-N 278.073 -0.602 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCC2(C(=O)O)CC2)cn1 1610600359 JOWPPRKJXHLTGC-UHFFFAOYSA-N 281.272 -0.771 50 20 CBGD CNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 48644400 NVYKKVVONSCQNQ-UHFFFAOYSA-N 285.329 -0.447 50 20 CBGD C[C@@H](Sc1nnnn1C1CC1)C(=O)NN(C)C(N)=O 272186301 MMUCQBIJGRQMTA-RXMQYKEDSA-N 285.333 -0.470 50 20 CBGD COCCN(C)NC(=O)Cn1ccc([N+](=O)[O-])n1 288286835 AYZDOOVJLSIBAS-UHFFFAOYSA-N 257.250 -0.599 50 20 CBGD CN(C)CC(=O)NNC(=O)c1nnc2ccccc2n1 290515711 QCMCGMDWTAFLLO-UHFFFAOYSA-N 274.284 -0.653 50 20 CBGD O=C(NNC(=O)[C@H]1CC1(Cl)Cl)C(=O)N1CCCC1 299551827 LJFUGHFMKSCULX-ZCFIWIBFSA-N 294.138 -0.050 50 20 CBGD C[C@@H](C[S@](C)=O)N(C)Cc1ccccc1B(O)O 399911238 ATROJABJMNYXSC-YPMLDQLKSA-N 269.175 -0.435 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)Cc1cccnc1 494167287 NSBKRTJLKFFSPC-QMMMGPOBSA-N 280.284 -0.484 50 20 CBGD O=C(NCCOC[C@H]1CCCO1)c1cccc(B(O)O)c1 584947672 XOYCOBFULHVYCO-CYBMUJFWSA-N 293.128 -0.708 50 20 CBGD C[C@@H]1OCCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1C 584962907 MFAGLIBCSBXPCT-UWVGGRQHSA-N 263.102 -0.384 50 20 CBGD C[C@H]1COCCN1CCNCc1ccc(B(O)O)cc1F 585032375 GGENEIGUFAXGPP-NSHDSACASA-N 296.151 -0.684 50 20 CBGD C[C@@](O)(CNCc1cccc(B(O)O)c1)C(F)(F)F 585032486 VOVXMCGKTVJSOC-SNVBAGLBSA-N 277.051 -0.231 50 20 CBGD CN(C)[C@H](CNCc1ccc(B(O)O)o1)c1cccnc1 585033272 CEXJYLAETPKLBA-CYBMUJFWSA-N 289.144 -0.253 50 20 CBGD CO[C@@H]1COCC[C@@H]1CNCc1ccccc1B(O)O 585043636 PSWDICZUMPLZRY-TZMCWYRMSA-N 279.145 -0.493 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCCC(F)(F)[C@H]2O)o1 585045912 JSFASZKLAOOFCH-SCZZXKLOSA-N 275.060 -0.402 50 20 CBGD CC(C)(CNCc1ccc(B(O)O)o1)[C@]1(O)CCCOC1 585050392 XIDZEEMSKNUMPS-AWEZNQCLSA-N 297.160 -0.383 50 20 CBGD O=C(NCB(O)O)c1ccc(OC[C@@H]2CCCO2)cc1 585056654 SLEMDCXRDNJVFO-LBPRGKRZSA-N 279.101 -0.014 50 20 CBGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCOC1 741761703 GKBOGKHHTDDWMU-ZJUUUORDSA-N 289.357 -0.115 50 20 CBGD COC[C@H](NCC(=O)NNC(=O)C1CC1)C(C)C 754385623 RBIPXLJHKCILRM-JTQLQIEISA-N 257.334 -0.196 50 20 CBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1F 764428907 MTONJPPFCOAZKX-UHFFFAOYSA-N 299.258 -0.697 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 772921453 LLIJFIYHCNQYKH-UHFFFAOYSA-N 293.243 -0.565 50 20 CBGD COCCS(=O)(=O)CC(=O)NNc1ccccn1 777473666 IIXGLKGXYIAPNK-UHFFFAOYSA-N 273.314 -0.414 50 20 CBGD C[C@H]1C[C@@H](C(=O)NNc2ccc(C(N)=O)nn2)CO1 784791698 HVFUGOYIAIQWPX-NKWVEPMBSA-N 265.273 -0.556 50 20 CBGD O=C(NNC(=O)c1c[nH]nc1C1CC1)C(=O)N1CCCC1 789751480 JBUQOTMKCVLZQB-UHFFFAOYSA-N 291.311 -0.330 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)N1CCN(C)CC1 807382251 DFHCRZXGRPZQJA-UHFFFAOYSA-N 266.305 -0.680 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@]2(C)CCCOC2)CC1 807382432 CIDVVBCJORFWJV-ZDUSSCGKSA-N 284.360 -0.209 50 20 CBGD O=C(CO)NNC(=O)Nc1cccc2c1COC2=O 808904974 OXXBRZSBODBESF-UHFFFAOYSA-N 265.225 -0.498 50 20 CBGD COC(=O)c1cc(/C=C(\C#N)S(N)(=O)=O)cn1C 811690765 HGVARPWXYSNLHN-FPYGCLRLSA-N 269.282 -0.035 50 20 CBGD CC(=NNC(=O)N1CCOCC1)c1cc(CO)on1 812227143 RZCQMODOQAJZPF-UHFFFAOYSA-N 268.273 -0.067 50 20 CBGD C[C@@H]1COCCN1CCNC(=O)NNc1ncncc1F 814310214 NLPZYORNDUMLOO-SECBINFHSA-N 298.322 -0.038 50 20 CBGD COC(=O)c1cc(C=NNC(=O)CN2CCCC2=O)on1 814761254 RUXRGNUYQUZOAK-UHFFFAOYSA-N 294.267 -0.466 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1COCCN1CC(F)(F)F 821218341 ZHDPHKPGYPSDFX-DTWKUNHWSA-N 299.293 -0.407 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C2=NN3CCCN=C3N2)o1 829831044 IKLSQOLFOOSDET-UHFFFAOYSA-N 290.283 -0.673 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1cc(C(=O)O)co1 833658185 XBJQTOXNEYEOFA-UHFFFAOYSA-N 277.258 -0.510 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H]2[C@@H](N)CCC[C@H]2C1 843368836 ZYNUCVBNFOKAMT-YFKTTZPYSA-N 282.388 -0.009 50 20 CBGD C=C[C@H](C)ONC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 845637645 CZBIJAWSSQUHKG-WPRPVWTQSA-N 277.346 -0.127 50 20 CBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)N=c1cc[nH]cc1 848044681 NDAKTTIOSGXYEY-BDAKNGLRSA-N 277.284 -0.832 50 20 CBGD CCOCC(=O)NN=Cc1nnn(C(C)(C)C)n1 853305137 PWTZJZOODZVPDA-UHFFFAOYSA-N 254.294 -0.085 50 20 CBGD CN(CC(=O)NNC(=O)c1cc[nH]n1)[C@H]1CCSC1 855357841 RGPYFTCBCYLZAR-QMMMGPOBSA-N 283.357 -0.392 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCc2ccoc2)N1 858613162 JHMWNQKYVYFCNK-VIFPVBQESA-N 280.284 -0.569 50 20 CBGD CC[C@@H](C)OCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862458129 XVQQUVOSDYCKMJ-SFYZADRCSA-N 257.290 -0.773 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CCCCS2)N1 862459936 BQVGKBRFKGXJFI-SFYZADRCSA-N 271.342 -0.302 50 20 CBGD CC[C@@H](C)NC(=S)NNC(=O)[C@@H]1CCC(=O)N1 863204165 RLDKXHDHODEFDS-RQJHMYQMSA-N 258.347 -0.441 50 20 CBGD CN(C[C@H]1C[C@@H](O)C1)C(=O)c1cccc(B(O)O)c1 863891165 YDZINSSDNAQJKM-WVSHTKLVSA-N 263.102 -0.791 50 20 CBGD CN1C(=O)CS/C1=C\C(=O)NNC(=O)c1cccn1C 873836268 VKMZWZJTASHIDX-WDZFZDKYSA-N 294.336 -0.167 50 20 CBGD COC(=O)[C@@]1(C)CN(CC(=O)NNC(=O)C2CC2)C[C@@H]1C 879133845 KEXAECWEYXPWKS-XPTSAGLGSA-N 297.355 -0.325 50 20 CBGD CC1(C)[C@@H](N)C[C@H]1NCC(=O)NNC(=O)C1CC1 883442927 VZVIKGBBVZQAIH-DTWKUNHWSA-N 254.334 -0.741 50 20 CBGD COC(=O)[C@H](NNC(=O)C1CCOCC1)C1CC1 905816296 NJYXTZPEGAEFTA-SNVBAGLBSA-N 256.302 -0.015 50 20 CBGD COCCCNC(=O)NN=C1CCS(=O)(=O)C1 920829303 CTLIVEJPUJMBES-UHFFFAOYSA-N 263.319 -0.503 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)c(C)nn1 1116435565 SGRFZJLQYVHXPZ-UHFFFAOYSA-N 291.311 -0.523 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H]1CCc2nnn(C)c2C1 1119911912 SLKPUFFSFYVYRQ-SNVBAGLBSA-N 289.339 -0.129 50 20 CBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NN=c1cc[nH]cc1Cl 1123692082 OXIZXRASMSGJEB-BXKDBHETSA-N 295.774 -0.012 50 20 CBGD COc1cccc(C[C@H](O)C(=O)NNC(=O)C(C)(C)O)c1 1255918758 GEYQJTZPRXDJOH-NSHDSACASA-N 296.323 -0.483 50 20 CBGD COCCCNC(=S)N(C)NC(=O)c1cc[n+]([O-])cc1 1261662754 VTQJIYNVBHJAPC-UHFFFAOYSA-N 298.368 -0.192 50 20 CBGD COCCCNC(=O)NNC(=O)c1cccc(=O)n1C 1319733959 YYXCDGBIEHKTRD-UHFFFAOYSA-N 282.300 -0.634 50 20 CBGD CO[C@@H](C)C(=O)NNc1nc(O)c2cnn(C)c2n1 1319878322 JZMATJSUZZIWHK-YFKPBYRVSA-N 266.261 -0.453 50 20 CBGD O=C(CN1C(=O)CNC1=O)NNc1ncncc1Cl 1324302475 PYMUZFSBTHBQMM-UHFFFAOYSA-N 284.663 -0.875 50 20 CBGD Cc1nnc(NNC(=O)C[C@](C)(O)C2CC2)nc1O 1324449955 FQFKRRKYOZXCHM-NSHDSACASA-N 267.289 -0.120 50 20 CBGD CC(C)C(=O)NNC(=O)c1cn(C)c2c(cnn2C)c1=O 1327654392 SFGWKIZIHDJZLT-UHFFFAOYSA-N 291.311 -0.311 50 20 CBGD CSCC[C@H](NC(N)=O)C(=O)NNc1ccncn1 1329485682 COFPGYZMEFYYSH-ZETCQYMHSA-N 284.345 -0.290 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2ccc(O)cc2)N1 1329755997 STGNZURRFGDSOO-SNVBAGLBSA-N 292.295 -0.499 50 20 CBGD Cc1cc(C)c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)[nH]1 1331692175 UCXADMMFMXBIOS-MRVPVSSYSA-N 264.285 -0.329 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCn2cncc2C1 1332175005 JFMSHXIHXJUFOM-VHSXEESVSA-N 252.318 -0.211 50 20 CBGD C[C@@H](CNC(=O)NNc1cccnn1)S(C)(=O)=O 1335665541 CMRQOWOKXKCUKC-ZETCQYMHSA-N 273.318 -0.464 50 20 CBGD NC(=O)c1ccc(F)c(NC(=O)NNC(=O)CCO)c1 1338052269 NAMJALRFZWZQIZ-UHFFFAOYSA-N 284.247 -0.540 50 20 CBGD CC(C)NC(=S)NNC(=O)CCn1cnccc1=O 1347600139 HVZWKXZDZIENJO-UHFFFAOYSA-N 283.357 -0.463 50 20 CBGD O=C(Cn1c(=O)oc2ccccc21)N1CC[C@H](B(O)O)C1 1348489941 IHQLPWGDAWNTQS-VIFPVBQESA-N 290.084 -0.330 50 20 CBGD NCCOCC(=O)NNC(=O)COc1ccc(F)cc1 1580312470 NKYBGPIAJZAHPF-UHFFFAOYSA-N 285.275 -0.673 50 20 CBGD CC[C@H](CNC(=O)NNC(=O)[C@H]1CCCCO1)C(=O)O 1589538797 NOKNKMPKWCMBLU-RKDXNWHRSA-N 287.316 -0.003 50 20 CBGD O=C(O)c1cnc(C(=O)NNc2cccnn2)cn1 1595266744 TVNRATQQQOHWTP-UHFFFAOYSA-N 260.213 -0.278 50 20 CBGD CCC1(CC)[C@@H](NC(=O)NNC(=O)C(=O)O)C[C@H]1OC 1595373020 BBVZBHTUKHGHTM-JGVFFNPUSA-N 287.316 -0.005 50 20 CBGD O=C(NNC(=O)[C@@H](C(=O)O)C1CC1)c1ccc[nH]1 1605814714 PKORMRWJYQUYKG-QMMMGPOBSA-N 251.242 -0.114 50 20 CBGD O=C(CN1CCOCC1)NNC(=O)c1ccc(F)cc1 18708661 CHUBLSPMIZXSCV-UHFFFAOYSA-N 281.287 -0.081 50 20 CBGD O=C(Cn1cncn1)NNC(=O)NCCc1cccs1 49167158 DJIPOXOPINNAPC-UHFFFAOYSA-N 294.340 -0.087 50 20 CBGD O=C(Cn1cnnn1)NNC(=O)c1ccc2ccccc2n1 61468767 TZPHZVCDDQIJLX-UHFFFAOYSA-N 297.278 -0.318 50 20 CBGD C[C@H](C(=O)NNC(=O)C(=O)NC1CC1)N1CCCCCC1 118758984 YUDMTZSVTPKKDA-SNVBAGLBSA-N 296.371 -0.323 50 20 CBGD CC(=O)NCC(=O)NNC(=O)c1ccc(Cl)nc1 194614734 RHPHQGKKHZTRQR-UHFFFAOYSA-N 270.676 -0.368 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)NC1CCCC1 270486953 JZMQBKKOINMOIG-UHFFFAOYSA-N 257.294 -0.812 50 20 CBGD COc1ccnc(NNC(=O)[C@]2(O)CCSC2)n1 270803463 OJRDMJANDRNOGH-JTQLQIEISA-N 270.314 -0.204 50 20 CBGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NN)c1 272535049 BMKWXAFXLXJRQM-UHFFFAOYSA-N 285.325 -0.453 50 20 CBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)[C@@H]1CCCCO1 295628697 SGNMHBUVYNTZKK-BDAKNGLRSA-N 272.301 -0.098 50 20 CBGD CNC(=O)NNC(=O)[C@H](C)NC(=O)C1CCCC1 299129224 OMGYTWKYIGUINK-ZETCQYMHSA-N 256.306 -0.359 50 20 CBGD COC(=O)NNC(=O)c1cc([N+](=O)[O-])cnc1O 490578319 DIVGHANEDQUTQI-UHFFFAOYSA-N 256.174 -0.304 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2NC(=O)O[C@H]2C)o1 496889188 AUYZSPYSXLOWJF-POYBYMJQSA-N 267.241 -0.154 50 20 CBGD CSCC[C@@H](O)C(=O)Nc1cccc(B(O)O)c1 584913618 ZVSHLKWHRCNSAO-SNVBAGLBSA-N 269.131 -0.581 50 20 CBGD C=CC[C@@H](CO)CNC(=O)c1cc(B(O)O)ccc1F 584970918 VDWZOVPEQDDYND-SECBINFHSA-N 281.092 -0.580 50 20 CBGD O=C(N[C@@H]1CCn2ccnc2C1)c1ccc(B(O)O)cc1 584975755 ZAJDYYIETWRGCI-GFCCVEGCSA-N 285.112 -0.692 50 20 CBGD O=C(N[C@H]1CCC[C@H](CO)C1)c1ccc(B(O)O)c(F)c1 585000695 NOKNVZKPYIOIKS-ONGXEEELSA-N 295.119 -0.214 50 20 CBGD CC(C)N(C)C[C@H](C)NCc1ccc(B(O)O)o1 585041631 RLGWFHNETNOWON-JTQLQIEISA-N 254.139 -0.222 50 20 CBGD C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)NCB(O)O 585057354 CQAYXKJUSKOFAT-JARNTUPDSA-N 276.101 -0.667 50 20 CBGD CC(C)C(=O)NNC(=O)[C@@H](C)N1CCN(C)CC1 725879242 DVBUKMKGDQLZPS-SNVBAGLBSA-N 256.350 -0.574 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 731596208 VYJUGQNRRLKWAR-UHFFFAOYSA-N 292.251 -0.379 50 20 CBGD CC(=O)NCC(=O)NCC(=O)NNc1ccccc1 732266108 KQFUNCNRCCBHCW-UHFFFAOYSA-N 264.285 -0.618 50 20 CBGD COC(=O)c1ccc(NC(=O)NNC(=O)CO)cc1C 756377481 XPMPUVGSICTBKA-UHFFFAOYSA-N 281.268 -0.073 50 20 CBGD CCOCC(=O)NNC(=O)Nc1nn(C)cc1C#N 756866199 SBDVTSVCKFENGU-UHFFFAOYSA-N 266.261 -0.519 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccnc1OC 764317506 NAKKSLHHQIYQLY-UHFFFAOYSA-N 296.283 -0.787 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCO[C@H]1C 772234216 HFMKYXVLSMTBRD-XHNCKOQMSA-N 272.301 -0.100 50 20 CBGD COC(=O)Cn1cc(C(C)=NNC(=O)NCC2CC2)nn1 772839920 HUKQNFVXCFOKMD-UHFFFAOYSA-N 294.315 -0.116 50 20 CBGD CCCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)CO 777781517 XRIQYUFIDQLDDR-VIFPVBQESA-N 271.317 -0.693 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)CO)s1 777782042 VITXJXGJMBYZGB-UHFFFAOYSA-N 258.255 -0.712 50 20 CBGD COc1cccc(NNC(=O)CN2CCN(C)C(=O)C2)n1 780998423 VBIBSFXFSKHPJP-UHFFFAOYSA-N 293.327 -0.693 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cn(C(C)(C)C)nn2)cn1 790656813 YJEAPPXNFLRLBG-UHFFFAOYSA-N 291.315 -0.159 50 20 CBGD C=CCNC(=S)NNC(=O)CS(=O)(=O)C(C)C 798306445 HYBUZCQIYLNYLL-UHFFFAOYSA-N 279.387 -0.509 50 20 CBGD CCNC(=O)NNC(=O)COCc1ccccn1 805172527 YXSFIQAWZUOEQK-UHFFFAOYSA-N 252.274 -0.052 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)[nH]1 815475593 QZEGJNFIJCUSRS-UHFFFAOYSA-N 291.267 -0.472 50 20 CBGD CC(C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CC1CC1 819104349 JOGPQIZHVWTWOV-JTQLQIEISA-N 291.373 -0.492 50 20 CBGD CC(C)C1(C(=O)NNC(=O)c2ncccn2)COC1 822903785 QBIJJHGDLYNMLC-UHFFFAOYSA-N 264.285 -0.090 50 20 CBGD C[C@H](C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)N(C)C 823015060 ZFJJVENUQCPTRZ-NXEZZACHSA-N 277.390 -0.571 50 20 CBGD CCN(CCO)NC(=O)C1(n2cnnn2)CCCCC1 823893487 KTLWXPDIYHLFMC-UHFFFAOYSA-N 282.348 -0.322 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cccc(-n2cncn2)n1 823913506 VUGGBMBOOTVMPK-SECBINFHSA-N 276.300 -0.380 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCNC(=O)C1CC1 825582516 BROUVLMPUHHZHO-PSASIEDQSA-N 298.343 -0.732 50 20 CBGD C[C@@H](CN(C)C)NC(=O)NNC(=O)[C@H]1CCCCO1 838592491 SRTYKNWJNDNHHO-VHSXEESVSA-N 272.349 -0.164 50 20 CBGD O=C(CCCn1cccn1)NNC(=O)c1cc[nH]n1 855359353 OMXYMECGRAUWJT-UHFFFAOYSA-N 262.273 -0.152 50 20 CBGD Cc1ccc(NNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)cc1F 856228563 XOPUDHFGQXIICS-JHJVBQTASA-N 296.298 -0.010 50 20 CBGD C[C@](O)(CC(=O)NNC(=O)c1cn[nH]c1)C1CC1 862472958 YCMIVCQXSGKVTN-NSHDSACASA-N 252.274 -0.278 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CC(NS(C)(=O)=O)C1 862841640 WVAMZCDSGDKQDK-BQYQJAHWSA-N 273.314 -0.810 50 20 CBGD C[C@H]1CCOCCN1C(=O)c1ccc(B(O)O)cc1 867218670 ALKYWKLQXXQQMF-JTQLQIEISA-N 263.102 -0.383 50 20 CBGD CNC(=S)N(C)NC(=O)/C=C/CN1CCOCC1 868860224 SSIIUKYADVZUKM-ONEGZZNKSA-N 272.374 -0.658 50 20 CBGD C#CCCCC(=O)NNC(=O)/C=C/CN1CCOCC1 887149424 VXPGUYOTBQNMFR-FNORWQNLSA-N 279.340 -0.174 50 20 CBGD CC(=O)N1CCC[C@@H](C(=O)NN(C)C[C@H](C)O)C1 910176704 BZRWRDKSIVOCBX-GXSJLCMTSA-N 257.334 -0.411 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)c1cccn1C 915263163 SFBYKJZWKQDMBI-QMMMGPOBSA-N 266.301 -0.299 50 20 CBGD Cc1c(C(=O)NNC(=O)CC(F)(F)F)nnn1C 1116145344 FGZFUUNDFBXQLH-UHFFFAOYSA-N 265.195 -0.163 50 20 CBGD C[C@H](C(=O)NNc1ccc(C(N)=O)nn1)c1cnn(C)c1 1116250831 IGTIXYFJVGXRLE-ZETCQYMHSA-N 289.299 -0.444 50 20 CBGD O=C(NNC(=O)c1cccnc1Cl)C(=O)NC1CC1 1116481126 BZFFGCQIAIIRFM-UHFFFAOYSA-N 282.687 -0.225 50 20 CBGD CCCNC(=O)NNC(=O)c1nc2ncccn2n1 1118635668 CFZPNANULIHZGU-UHFFFAOYSA-N 263.261 -0.522 50 20 CBGD NC(=O)c1csc(C(=O)N2CC[C@H](B(O)O)C2)c1 1118916740 UAYTZQKZZNKWCG-ZETCQYMHSA-N 268.103 -0.464 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCCN(C(N)=O)C1 1119048123 VFYCOJXVZVLFHA-BDAKNGLRSA-N 258.322 -0.879 50 20 CBGD COC(=O)[C@H](C)N(C)CC(=O)NNC(=O)C1CC1 1261809605 DAEBILPEBLWMPO-ZETCQYMHSA-N 257.290 -0.963 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)NNC(=O)C1CCC1 1318505711 ZMPZTXNQTRPJAJ-UHFFFAOYSA-N 291.311 -0.214 50 20 CBGD CNC(=O)NNC(=O)c1ccc(S(N)(=O)=O)cc1F 1319726492 HGTFQCACMVCJTE-UHFFFAOYSA-N 290.276 -0.953 50 20 CBGD Cc1onc(-c2ccncc2)c1C(=O)NNC(=O)CO 1320084591 BXXCIOALHDQATP-UHFFFAOYSA-N 276.252 -0.202 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H](C)c1nccs1 1320270983 BXEUHMYEOSKXPA-LURJTMIESA-N 286.313 -0.250 50 20 CBGD CNC(=O)NNC(=O)c1c(C)oc2ncn(C)c(=O)c12 1324090947 PQVJFFAOENIZKU-UHFFFAOYSA-N 279.256 -0.591 50 20 CBGD CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccnn1C 1324644154 BSSMJZTZCILBIK-VIFPVBQESA-N 284.341 -0.305 50 20 CBGD NC(=O)c1c[nH]c(C(=O)NNc2ncncc2F)c1 1327888070 OKHMRVFSCUCLNT-UHFFFAOYSA-N 264.220 -0.200 50 20 CBGD COC(=O)N(C)NC(=O)NC[C@H](C)N1CCN(C)CC1 1347621964 XNVDARPNUZKZGZ-JTQLQIEISA-N 287.364 -0.465 50 20 CBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NN[C@H](C)C(F)(F)F 1521747494 LLSKOVPCYBUWJZ-HLTSFMKQSA-N 280.294 -0.054 50 20 CBGD CC(CCO)=NNC(=O)[C@H]1CN2CCC[C@H]2CO1 1549315506 BSNCIMHBSBHRSC-WDEREUQCSA-N 255.318 -0.276 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1NCc2n[nH]cc21 1578565143 KUWLUISJMJTUGS-ZETCQYMHSA-N 254.319 -0.979 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCn2ncnc21)[C@H]1CCCNC1 1580732987 LLQAMWWDKNETHQ-VHSXEESVSA-N 292.343 -0.698 50 20 CBGD O=C(NNC(=O)[C@H]1CCN1)c1ccnc(Cl)c1 1580736628 ZXXMYGWKQISTOY-SSDOTTSWSA-N 254.677 -0.142 50 20 CBGD C=CC[C@H](NNC(=O)c1nnn(C)c1C)C(=O)O 1588750108 TYMKVPSKMBTIGD-ZETCQYMHSA-N 253.262 -0.613 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1sccc1C(=O)O 1589150154 KSWFAZQBNSQZQU-UHFFFAOYSA-N 271.254 -0.448 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1594643460 GLANZYQVRLBANS-XAVMHZPKSA-N 286.284 -0.809 50 20 CBGD O=C(NC[C@H](F)C(=O)O)NNC(=O)C1CCOCC1 1601521819 UXVHPLGNSUCYBT-ZETCQYMHSA-N 277.252 -0.834 50 20 CBGD O=C(NNC(=O)c1ccnc(C(=O)O)c1)c1cn[nH]c1 1601555448 BPWIWRSWXQMJFZ-UHFFFAOYSA-N 275.224 -0.422 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@@]1(C(=O)O)CCOC1 1603835463 VNOMMNYGZBKGBA-IOCXFXADSA-N 254.242 -0.210 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1 1605689803 PSGINIAGMXISGG-DTWKUNHWSA-N 297.311 -0.743 50 20 CBGD Cn1ncc(C(=O)O)c1C=NNC(=O)c1ncccn1 1776081510 SFIMSRZLAQDABT-UHFFFAOYSA-N 274.240 -0.328 50 20 CBGD CC(=O)NNC(=O)CNC(=O)c1cccc(F)c1 23199192 CXPPVVNIOXVJQG-UHFFFAOYSA-N 253.233 -0.277 50 20 CBGD C[C@@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)NC1CC1)CS2 49150754 OOVLEYMBGGUXTQ-PRHODGIISA-N 298.368 -0.067 50 20 CBGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNC(=O)NC(C)C 49467600 XUSAFUJYPUGFSK-UHFFFAOYSA-N 284.276 -0.161 50 20 CBGD CC(C)CS(=O)(=O)CC(=O)NNc1ncccn1 52409998 OOGZIMPGDHQATM-UHFFFAOYSA-N 272.330 -0.010 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)OC(C)(C)C 63679341 LNFKRJJQJXQAET-LURJTMIESA-N 281.334 -0.520 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@H]1COCCO1 67436806 TWGFMLVSKRECLU-LLVKDONJSA-N 280.280 -0.128 50 20 CBGD O=C(Cc1cn2ccccc2n1)NNC(=O)Cn1cccn1 173881777 IJCUXFBNVXPBJA-UHFFFAOYSA-N 298.306 -0.079 50 20 CBGD CN(NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)C(N)=O 181082776 XVVPNZJDHVBBOL-RXMQYKEDSA-N 282.222 -0.561 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cccn1C)N1CCN(C)CC1 264051239 YIKAHEJUOOMNMW-NSHDSACASA-N 293.371 -0.578 50 20 CBGD Cc1cc(O)cc(=O)n1CCC(=O)NNC(=O)C1CC1 267911102 OJURNCFVJQAVGP-UHFFFAOYSA-N 279.296 -0.190 50 20 CBGD O=C(NNc1nccc(N2CCOCC2)n1)[C@H]1CCCO1 268662078 XURLVTIALFYDNT-SNVBAGLBSA-N 293.327 -0.065 50 20 CBGD CC[C@H](C(=O)NNC(=O)c1cccn1C)C(=O)OC 276653838 PFNOBXDQUGUGJK-MRVPVSSYSA-N 267.285 -0.015 50 20 CBGD COC(=O)N(C)CCCC(=O)NNC(=O)C(C)(C)O 278003869 RAVAEYDKTJJCFL-UHFFFAOYSA-N 275.305 -0.617 50 20 CBGD C=CCNC(=S)NNC(=O)CC(=O)NCC(F)(F)F 280853462 AQMJIXHTRPGWSB-UHFFFAOYSA-N 298.290 -0.264 50 20 CBGD CC(=O)NNC(=O)C[C@H]1Oc2ccccc2NC1=O 298697642 NZOXTTKOGJPCEP-SNVBAGLBSA-N 263.253 -0.057 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(C(=O)OC)s1 299167704 VENRLCIBCNOLNP-UHFFFAOYSA-N 293.326 -0.343 50 20 CBGD CN(C)C1CN(S(=O)(=O)CBr)C1 306176663 WSUAFAYSJUPAOO-UHFFFAOYSA-N 257.153 -0.086 50 20 CBGD COC(=O)NCC(=O)NNC(=O)c1cccc(C#N)c1 491171092 QNOQMXSXQPXDET-UHFFFAOYSA-N 276.252 -0.325 50 20 CBGD CN1CCC(C#N)(NC(=O)c2ccc(B(O)O)cc2)CC1 584941360 IZABHJVHAZYILL-UHFFFAOYSA-N 287.128 -0.916 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCOCC2(CC2)C1 584974254 SUIUSOFTALCUOQ-UHFFFAOYSA-N 293.103 -0.242 50 20 CBGD O=C(NCCOC(F)(F)F)c1ccc(B(O)O)cc1 584980072 PJMJBGBPNQYVSU-UHFFFAOYSA-N 277.007 -0.367 50 20 CBGD CNC(=O)[C@H]1CCC[C@@H]1NCc1ccc(B(O)O)cc1F 585032475 VLLHJRGODYDHOM-AAEUAGOBSA-N 294.135 -0.490 50 20 CBGD OB(O)c1ccc(CNC[C@H]2CC[C@@H](O)C2)c(F)c1 585037770 JJOZDUXUSMBVHL-JOYOIKCWSA-N 267.109 -0.244 50 20 CBGD CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NCB(O)O 585059219 FAULMYMBYWBOML-VIFPVBQESA-N 270.138 -0.458 50 20 CBGD C[C@H](NC(=O)CC1CCCCC1)C(=O)NCB(O)O 585061793 HCALRNCQJVPYQJ-VIFPVBQESA-N 270.138 -0.410 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@@H]1C[C@H]1C(=O)O 739348876 FSQZYAAEXLWDCP-RKDXNWHRSA-N 263.253 -0.508 50 20 CBGD CC(C)NC(=S)NNC(=O)C(=O)N1CCCC1 748158794 SCZKMXHKMPHURK-UHFFFAOYSA-N 258.347 -0.488 50 20 CBGD Cn1c(C(=O)NNC(=O)c2ccccn2)cccc1=O 756848167 XDXYUHRBSROYQM-UHFFFAOYSA-N 272.264 -0.145 50 20 CBGD CC[C@@H]1CC[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)O1 756906749 ZUSKVYSCLFZULE-BDAKNGLRSA-N 271.317 -0.384 50 20 CBGD CC(=O)N1CCN(C(=O)CN2CC=C(C#N)CC2)CC1 779587344 MTMRAGJLNZMIPI-UHFFFAOYSA-N 276.340 -0.167 50 20 CBGD O=C(CN[C@H](CO)c1ccccc1)NNC(=O)C1CC1 782053570 PRUUJYKEXNLWKV-GFCCVEGCSA-N 277.324 -0.133 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCn1ccnn1 787629880 SYVHLRWUPGLKLR-MRVPVSSYSA-N 283.288 -0.843 50 20 CBGD O=C(CO)NNC(=O)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42 795238599 LJPKTKMUFKJAKY-DPKVAISUSA-N 262.309 -0.480 50 20 CBGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCF 798060220 XRJNTUIVJUUYSY-UHFFFAOYSA-N 288.304 -0.222 50 20 CBGD CCOC(=O)[C@H](C)[C@H](C)NCC(=O)NNC(=O)C1CC1 801540925 HHTRPGFKCUPKLY-BDAKNGLRSA-N 285.344 -0.279 50 20 CBGD CCn1nncc1C(=O)NNC(=O)c1cccnc1 814697319 IVNCPUBGIFCQOP-UHFFFAOYSA-N 260.257 -0.232 50 20 CBGD CCOC(=O)[C@H](CC(=O)NN(C)C(N)=O)C(C)=O 816958617 XWSVTIIWFMJEAA-SSDOTTSWSA-N 259.262 -0.814 50 20 CBGD Cn1nnnc1SCCC(=O)NNc1ncncc1F 817067236 JGVBMUHPRANOSK-UHFFFAOYSA-N 298.307 -0.235 50 20 CBGD Cc1nccn1CCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 826063125 XVPZSICSYUKFKH-KOLCDFICSA-N 295.343 -0.053 50 20 CBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1ccc[nH]1 826445090 GOGPPPUEOTVEGX-UHFFFAOYSA-N 286.255 -0.402 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1 826971217 IUGNUZPCFDTKNV-DTWKUNHWSA-N 299.327 -0.451 50 20 CBGD CC(C)C[C@H]1C(=O)NCCN1CC(=O)NNC(=O)C(C)C 829107238 OAVJPXJAPVGLRT-NSHDSACASA-N 298.387 -0.364 50 20 CBGD COC(=O)C[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 829732642 RNNOEJLMPUALRC-MRVPVSSYSA-N 265.074 -0.952 50 20 CBGD O=C(NNC(=O)[C@H](F)C(F)(F)F)c1ncon1 832825954 MUZMDAMJOHDORK-REOHCLBHSA-N 256.115 -0.269 50 20 CBGD NNC(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 841834969 FRJIWFPKEADBSF-SNVBAGLBSA-N 278.312 -0.161 50 20 CBGD CC(C)[C@H](N)CNC(=O)NNC(=O)[C@H]1CCCCO1 841945152 YKCYSVWETNNGAH-NXEZZACHSA-N 272.349 -0.131 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843974172 BQCCZINTYPNCQW-OUAUKWLOSA-N 285.344 -0.721 50 20 CBGD CN(NC(=O)[C@H]1CCc2nnnn2CC1)C1CC1 846269046 UKILKQHADOZQAE-QMMMGPOBSA-N 250.306 -0.249 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1CCCS1(=O)=O 848044836 OZYVOWJQEPQEFR-SECBINFHSA-N 298.324 -0.767 50 20 CBGD C[C@H](CNC(=O)NNC(=O)CC(F)(F)F)C(=O)O 848585767 CCFWSXSOEDSTOG-SCSAIBSYSA-N 271.195 -0.010 50 20 CBGD Cc1ccc(NNC(=O)C(=O)NCC(=O)N(C)C)cc1F 850704688 NFPCCGDKVBCMHN-UHFFFAOYSA-N 296.302 -0.218 50 20 CBGD COCCCNC(=S)N(C)NC(=O)c1nccnc1N 854281401 GOKWEOOUCSEVLB-UHFFFAOYSA-N 298.372 -0.454 50 20 CBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)CC(F)(F)F 855000431 IDXADLHCBZYHPY-UCORVYFPSA-N 269.179 -0.417 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=S)NCC2CCC2)C1 855090838 RVUUZHXYYLIKKB-JTQLQIEISA-N 286.401 -0.388 50 20 CBGD COC(=O)COCC(=O)NNc1ncc(Cl)cn1 857358183 RUMAWZTYWFZFQO-UHFFFAOYSA-N 274.664 -0.237 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NOC2CCCC2)N1 858346582 JUCLOLHXSWLIOC-QMMMGPOBSA-N 270.289 -0.530 50 20 CBGD C[C@H](C(=O)NNC(=O)CC1CC1)[C@@H]1CCC(=O)N1 861842276 GAXCPDLWPQCZKS-CBAPKCEASA-N 253.302 -0.151 50 20 CBGD COCCOCC(=O)NNC(=O)Cc1cnccc1C 869903402 QNTVHCJEGHQJIC-UHFFFAOYSA-N 281.312 -0.257 50 20 CBGD O=C(NNC(=O)N1CCC[C@@H]2COC[C@@H]21)c1cccnn1 883852034 FRKOFCVVRDBXFL-KOLCDFICSA-N 291.311 -0.058 50 20 CBGD OB(O)c1ccc(CNCCO[C@H]2CCOC2)cc1 897199944 NUUPRMQZXWDUEZ-ZDUSSCGKSA-N 265.118 -0.739 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@]1(c2ccccc2)CNC(=O)C1 910148542 UJHDZVHMMZIKMH-NHYWBVRUSA-N 291.351 -0.212 50 20 CBGD Cc1nc(Cl)cc(NNC(=O)CN2CCNC(=O)C2)n1 910943736 JALFREXUHNLEHY-UHFFFAOYSA-N 298.734 -0.687 50 20 CBGD CC(C)N1CCN(CCC(=O)NN(C)[C@@H](C)CO)CC1 911445220 PQEMMOVNHQXRIX-ZDUSSCGKSA-N 286.420 -0.254 50 20 CBGD CNC(=S)NNC(=O)CNC(=O)c1ccco1 913170099 DFJSWBFGQZSBJZ-UHFFFAOYSA-N 256.287 -0.866 50 20 CBGD COc1cc(OC)cc(C(=O)NNC(=O)CNC(C)=O)c1 913531734 GQPJLKCHDAHQSL-UHFFFAOYSA-N 295.295 -0.399 50 20 CBGD C#CCN(C(=O)c1cc(B(O)O)ccc1F)C(C)C 928623720 YCSIXZJNBWYERW-UHFFFAOYSA-N 263.077 -0.011 50 20 CBGD CNC(=O)NNC(=O)[C@H]1C[C@]12C(=O)Nc1ccccc12 930584243 IUZQLSHPYWSBSY-AMIZOPFISA-N 274.280 -0.143 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)o1 1118971022 RSFCWSJFGQIQSD-ZCFIWIBFSA-N 267.241 -0.672 50 20 CBGD CC(C)c1ocnc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1261830017 IEOCNSCQUWXNLD-ZETCQYMHSA-N 280.284 -0.162 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCCc2c1cnn2C 1319300530 XUVGOFMVINFBDC-QMMMGPOBSA-N 295.299 -0.699 50 20 CBGD COC(=O)C(=O)NN=C(C)c1cc(C(N)=O)n(C)c1 1319345730 JMNDGXRBUXGTOC-UHFFFAOYSA-N 266.257 -0.863 50 20 CBGD C=CCCOCCNC(=O)NNC(=O)C(=O)OC 1319515169 HTSVYJNVCANQGQ-UHFFFAOYSA-N 259.262 -0.918 50 20 CBGD O=C(NN=CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1319730265 STBWNMZNFZQVHX-VHSXEESVSA-N 274.342 -0.050 50 20 CBGD O=C(CCO)NNC(=O)Nc1ccn(CC(F)F)n1 1320346502 BRBCHZAEMLWFAE-UHFFFAOYSA-N 277.231 -0.317 50 20 CBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)no1 1329299638 LMVJUHIXXVETGX-JGVFFNPUSA-N 296.283 -0.506 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccc2c(c1)OCO2 1330489873 RIOGQXKQUHEGOH-UHFFFAOYSA-N 295.251 -0.581 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cc(C)cc(C)n1 1343893752 ALUSZVTYKIGUMG-UHFFFAOYSA-N 250.258 -0.196 50 20 CBGD Cc1noc(CCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1 1346068228 KFHLLCUMFAHDLS-CBAPKCEASA-N 282.300 -0.117 50 20 CBGD C[C@H](C(=O)NNC(=O)CS(C)(=O)=O)n1cccc1 1351665747 GFZXOEHKUYLKGF-MRVPVSSYSA-N 273.314 -0.759 50 20 CBGD C[C@@]1(C(=O)NNC(=O)CC(F)(F)F)C[C@@H](O)CN1 1573601865 RUFNHXXLCGFOOL-XRGYYRRGSA-N 269.223 -0.801 50 20 CBGD C[C@]1(C(=O)NNC(=O)CCN)Oc2ccccc2NC1=O 1576351077 VPVNLOYIRHJEDQ-ZDUSSCGKSA-N 292.295 -0.728 50 20 CBGD C[C@@]1(C(=O)NNC(=O)[C@@H]2CCCCO2)CNCCO1 1576351165 XLEYEVBRZUZFFJ-CABZTGNLSA-N 271.317 -0.919 50 20 CBGD Cc1cc(C(F)(F)F)nc(C(=O)NNC(=O)CCN)n1 1579570754 ZTUSJOQKHCXLNB-UHFFFAOYSA-N 291.233 -0.086 50 20 CBGD O=C(N[C@]12CCC[C@H]1NCC2)c1ccc(B(O)O)cc1 1580757177 JVIIFUYKDGCTOJ-OCCSQVGLSA-N 274.129 -0.619 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCC(=O)NCCC(=O)O 1596864433 SUDQMBQOKDBBFZ-CMDGGOBGSA-N 283.284 -0.472 50 20 CBGD O=C(O)CCCC=NNC(=O)N[C@H]1CCS(=O)(=O)C1 1606142692 YSBCSOFGMINIJE-QMMMGPOBSA-N 291.329 -0.287 50 20 CBGD CNCCCN(C)CC(=O)NNC(=O)c1ccccc1 127252653 UHJZYPCDWZAECR-UHFFFAOYSA-N 278.356 -0.011 50 20 CBGD NCCCCCCNC(=O)c1ccc(B(O)O)cc1 196800473 KEDTVSWSIFDUJG-UHFFFAOYSA-N 264.134 -0.385 50 20 CBGD COc1cccc(NNC(=O)CN2CCOCC2)n1 272552653 RMWAKJHOTLUZMW-UHFFFAOYSA-N 266.301 -0.135 50 20 CBGD CCN(CC)C(=O)CCC(=O)NNc1nnc[nH]1 293789157 CINCNHJWEJIYDX-UHFFFAOYSA-N 254.294 -0.104 50 20 CBGD COc1ccc2c(c1)C[C@H](C(=O)NNC(=O)CO)CO2 363844982 JWJPAATZHYEUJV-VIFPVBQESA-N 280.280 -0.614 50 20 CBGD C[C@@H](O)[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584965512 SCWQYIQFLVVCMO-PWSUYJOCSA-N 277.129 -0.401 50 20 CBGD O=C(N[C@@H]1CCO[C@H]1C1CC1)c1ccc(B(O)O)cc1 584968188 UGSVUEDCQKKABL-OLZOCXBDSA-N 275.113 -0.336 50 20 CBGD COC1(C)CN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584969548 VXTYHTUPJAFSJB-UHFFFAOYSA-N 267.065 -0.634 50 20 CBGD CCOC1CN(C(=O)c2cc(B(O)O)ccc2F)C1 584994434 JIXVPCVTKHKJJR-UHFFFAOYSA-N 267.065 -0.634 50 20 CBGD O=C(NC1(CF)CCC1)c1ccc(B(O)O)cc1 585002975 DXUZSSKXVXUDPG-UHFFFAOYSA-N 251.066 -0.012 50 20 CBGD C[C@@H]1CCCCN1CCNCc1ccc(B(O)O)o1 585015998 QCGQWZJQSNCBPS-LLVKDONJSA-N 266.150 -0.077 50 20 CBGD CC(C)(CNCc1ccccc1B(O)O)S(C)(=O)=O 585027112 WTRZAWYUCDFDIJ-UHFFFAOYSA-N 285.174 -0.721 50 20 CBGD CC(C)(O)Cc1nc(-c2ccc(B(O)O)cc2)no1 585055116 RHRYDPMHSVXBTA-UHFFFAOYSA-N 262.074 -0.270 50 20 CBGD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCB(O)O 585055697 HLGINZXTTLYSTP-UHFFFAOYSA-N 288.090 -0.498 50 20 CBGD CCC[C@H](C)N1C[C@@H](C(=O)NCB(O)O)CC1=O 585061779 GTRYAYYUBQORHX-IUCAKERBSA-N 256.111 -0.848 50 20 CBGD O=C(O)COc1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1 585063653 DVMGYBVQZQMVSA-SNVBAGLBSA-N 293.084 -0.161 50 20 CBGD CN1CCN(S(=O)(=O)CCCCCl)[C@@H](CO)C1 699500184 NQEFNEKDTVDKQZ-SNVBAGLBSA-N 284.809 -0.057 50 20 CBGD O=S(=O)(CCCCl)N[C@@H]1COCC[C@H]1O 710950147 DXPQYQRYRJFTBL-HTQZYQBOSA-N 257.739 -0.316 50 20 CBGD COC(=O)CCCNC(=S)NNC(=O)c1cnn(C)c1 735416866 JQUKBLPVJSQGJH-UHFFFAOYSA-N 299.356 -0.518 50 20 CBGD O=C(NCc1nnnn1C1CC1)NNc1cccnn1 743698237 MSOLZNYESOIKES-UHFFFAOYSA-N 275.276 -0.376 50 20 CBGD CC(C)c1nc(C#N)c(NNC(=O)Cn2cnnn2)o1 746524158 NVBBJJZGFWSFPP-UHFFFAOYSA-N 276.260 -0.201 50 20 CBGD CCCCNC(=S)NNC(=O)C(=O)N1CCCC1 748159941 XVMSUWQOHMZJFO-UHFFFAOYSA-N 272.374 -0.096 50 20 CBGD CCCNC(=O)NNC(=O)Cn1ccccc1=O 750625678 IZMXDWHTFAAPEH-UHFFFAOYSA-N 252.274 -0.411 50 20 CBGD CCOCCNC(=S)NNC(=O)N1CCOCC1 751006636 CGVXMCGPEZUVNG-UHFFFAOYSA-N 276.362 -0.556 50 20 CBGD CCN(CC)C(=O)CCC(=O)NNC(=O)Cc1cc[nH]n1 755279463 MWGSRDNKEGXKKW-UHFFFAOYSA-N 295.343 -0.252 50 20 CBGD O=C(CO)NNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 756738499 HSSTXZZNTNSRAR-VIFPVBQESA-N 283.288 -0.793 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@H](C)CCN1CCN(C)CC1 770590388 MWGBDJCBNQZXCT-GFCCVEGCSA-N 299.419 -0.001 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CN1CCCC1=O 771970060 VKIINSNYHKQKMD-MRVPVSSYSA-N 285.300 -0.902 50 20 CBGD CC(=O)CCCC(=O)NNC(=O)C(=O)N1CCCC1 772640779 PCMMVQHXZDLGTG-UHFFFAOYSA-N 269.301 -0.485 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(COC)cc1 773548964 CYCHVXSDUIZDRW-UHFFFAOYSA-N 295.295 -0.435 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1nn(C)cc1C#N 775662120 KPEDHYAVCXYIHN-UHFFFAOYSA-N 265.277 -0.994 50 20 CBGD CC(=O)NNC(=O)Cn1c(S)nc2ccccc2c1=O 789831817 JTYGYNPEROXFDA-UHFFFAOYSA-N 292.320 -0.148 50 20 CBGD CN1CCN(C(=O)NNC(=O)C2=CCOCC2)CC1 819721542 WRZBKKPVBZFGSC-UHFFFAOYSA-N 268.317 -0.679 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(C(N)=O)n1 843980612 VLXKZYLFTVHPKL-YUMQZZPRSA-N 292.295 -0.634 50 20 CBGD CCOCC(=O)NNC(=O)NCC[C@@]1(O)CCCOC1 845713116 FKNGTWCKUYDCBM-LBPRGKRZSA-N 289.332 -0.715 50 20 CBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)c1ccncc1 854117922 QAKYFYWFMKUGGT-SNVBAGLBSA-N 262.269 -0.537 50 20 CBGD CN1CCN(C(=O)NNC(=O)CCc2ccn(C)n2)CC1 854383213 YRUJVMYZOKXGOS-UHFFFAOYSA-N 294.359 -0.659 50 20 CBGD CN1C(=O)CC[C@H]1CC(=O)NNC(=O)CC1CC1 854668208 YVPORHUTXIWCLT-VIFPVBQESA-N 253.302 -0.055 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CCc2n[nH]cc2C1 854923216 MXITYMZPGJSINB-ZETCQYMHSA-N 267.358 -0.018 50 20 CBGD C[C@@H](CC(N)=O)C(=O)NNC(=O)OCC(F)(F)F 856020752 SKNKERPBQPXEME-BYPYZUCNSA-N 271.195 -0.182 50 20 CBGD O=C(CCCN1C(=O)CCC1=O)NNc1ccncn1 857519906 HLYXRUNCAGSECL-UHFFFAOYSA-N 277.284 -0.151 50 20 CBGD COC(=O)[C@@H](NNC(=O)[C@H]1CCC(=O)N1)c1ccsc1 863379278 SNXHLQLOCPTJCS-SCZZXKLOSA-N 297.336 -0.138 50 20 CBGD C[C@H](CC(=O)NNC(=O)CS(C)(=O)=O)C1CC1 863459777 GMZHKUPQZWODNG-SSDOTTSWSA-N 262.331 -0.385 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ncc2ccccn12 878681553 VIBVTAKJAPHIEB-UHFFFAOYSA-N 261.285 -0.343 50 20 CBGD CC[C@H](NC(=O)NNC(=O)CN(C)C)C(F)F 881014284 LMGDUJJHRKPLLY-LURJTMIESA-N 252.265 -0.078 50 20 CBGD COc1nn(C)cc1C(=O)NNC(=O)N1CCOCC1 883959100 SMHOMQYTVSWNDM-UHFFFAOYSA-N 283.288 -0.885 50 20 CBGD CCOC(=O)N(C)CCCC(=O)N1CC[C@H](B(O)O)C1 902552350 JGLFPXFWSZXLHN-JTQLQIEISA-N 286.137 -0.070 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)C(F)(F)C(F)F 913731336 DTORJDWIBHNTOI-UHFFFAOYSA-N 285.197 -0.343 50 20 CBGD OB(O)c1cccc(-c2noc(CO[C@@H]3CCOC3)n2)c1 1118996105 KELHDQWQYOUCHX-LLVKDONJSA-N 290.084 -0.278 50 20 CBGD CCn1cc(C(=O)NNC(=S)NC(C)C)nn1 1119668884 ZSEMUJVOZGYXSV-UHFFFAOYSA-N 256.335 -0.185 50 20 CBGD COc1cc(C(=O)NNC(=O)NC2CC2)nn1C 1320678898 XLVASSKAOZEFMD-UHFFFAOYSA-N 253.262 -0.465 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc(N2CCOCC2)nc1 1322109788 KOHCIMUYBQAIKV-UHFFFAOYSA-N 293.327 -0.166 50 20 CBGD CN(NC(=O)c1cn(CC(=O)C(C)(C)C)nn1)C(N)=O 1325151269 QOGIYMWBSLEHCB-UHFFFAOYSA-N 282.304 -0.451 50 20 CBGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)CC(F)(F)F 1331216207 DJKAEQXFNIPQGG-YFKPBYRVSA-N 282.222 -0.371 50 20 CBGD CN(CC(F)F)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1334931361 SFKFHHXPIPPFBT-RXMQYKEDSA-N 264.232 -0.797 50 20 CBGD O=C(CO[C@@H]1CCOC1)NNC(=O)N=c1cc[nH]cc1 1344704744 GQBZVNZPZFVEDQ-SNVBAGLBSA-N 280.284 -0.538 50 20 CBGD CO[C@H]1CN[C@@](C)(C(=O)NNC(=O)NCC2CC2)C1 1573962148 XJQIHYZFZNVFDB-BXKDBHETSA-N 270.333 -0.506 50 20 CBGD O=C(O)CN1CCC[C@@H](C(=O)NNc2ccccn2)C1=O 1574719454 KKRXGUSIXLERNA-VIFPVBQESA-N 292.295 -0.152 50 20 CBGD C[C@@H]1[C@@H](NC(=O)NNC(=O)C2CCNCC2)CCN1C 1576578951 KFEMAJGVJLTDFP-KOLCDFICSA-N 283.376 -0.591 50 20 CBGD CNC[C@@H](O)[C@@H](C)C(=O)NNC(=O)c1ccccc1F 1578646228 QNTJXGXZXUFFGI-LDYMZIIASA-N 283.303 -0.197 50 20 CBGD NC[C@@]1(C(=O)NNC(=O)C2CCC2)CCCOC1 1580235961 JTZVEHBDAPNKQP-LBPRGKRZSA-N 255.318 -0.311 50 20 CBGD C[C@@H]1C[C@@H](C(=O)O)CN(CC(=O)NNC(=O)C2CC2)C1 1589278442 FRWGEEBVBZFFCG-PSASIEDQSA-N 283.328 -0.414 50 20 CBGD O=C(NNC(=O)C1CCOCC1)c1ccc(C(=O)O)nc1 1594783255 XNVVZNFBENXLDV-UHFFFAOYSA-N 293.279 -0.033 50 20 CBGD C[C@H](O)CN(C)NC(=O)C1(C(=O)O)CCSCC1 1603268720 NNQHJLAVHIKGBK-QMMMGPOBSA-N 276.358 -0.072 50 20 CBGD C[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)c1cccc(B(O)O)c1 1603388720 OWYUDPFKAIDZSD-MWLCHTKSSA-N 291.112 -0.308 50 20 CBGD CCNC(=O)NNC(=O)c1cc(-c2nn[nH]n2)[nH]c1C 1604355204 PPDJSBBOJVAIGM-UHFFFAOYSA-N 278.276 -0.533 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCCCC(=O)O)cn1 1608098777 PBXPVPVUVDOYTR-UHFFFAOYSA-N 268.273 -0.174 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCN(c2ccccn2)C1 1610699340 UBGVZXSCAPOSHK-QMMMGPOBSA-N 293.283 -0.925 50 20 CBGD O=C(O)CCNC(=O)NNC(=O)[C@H]1CCCCO1 1611452527 IPLPSHXQDAJQML-SSDOTTSWSA-N 259.262 -0.639 50 20 CBGD N#CC1=CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 1645759095 HMTYDNDFVZSVSZ-LLVKDONJSA-N 282.325 -0.389 50 20 CBGD CC(=O)NCCNC(=O)NNC(=O)c1ccccc1 43141087 ZJTJZXXPVMHYQL-UHFFFAOYSA-N 264.285 -0.233 50 20 CBGD COCCCNC(=O)NNC(=O)C[C@@H]1CCCO1 49167328 ILYASTYLVMWKOZ-VIFPVBQESA-N 259.306 -0.078 50 20 CBGD O=C(Cn1cnnn1)NNC(=O)c1cccc(Cl)c1 193262532 YJAMCNINCGUWGK-UHFFFAOYSA-N 280.675 -0.212 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc[nH]1 195138742 YPOYQAZEAZEKLK-UHFFFAOYSA-N 250.258 -0.602 50 20 CBGD CCOCCC(=O)NNC(=O)CNC(=O)c1ccco1 263972297 FSCKYMHRBCRMHA-UHFFFAOYSA-N 283.284 -0.417 50 20 CBGD CCN(C)C(=O)[C@H](C)NC(=O)NNc1nccc(OC)n1 276937096 QITLDJNIFKIKDC-QMMMGPOBSA-N 296.331 -0.022 50 20 CBGD CS[C@H]1CC[C@H]1NC(=O)c1ccc(B(O)O)cc1 584959948 MMZKKGZDRKAZEK-MNOVXSKESA-N 265.143 -0.010 50 20 CBGD C[C@@H](O)[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584972544 ZVHOJHFMXXUNFO-KOLCDFICSA-N 263.102 -0.791 50 20 CBGD OB(O)c1cccc(CN[C@@H]2CCN(C3CC3)C2)c1 585021945 GEVRDISPICVVNB-CYBMUJFWSA-N 260.146 -0.307 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCc3n[nH]cc3C2)cc1 585029684 IWUASDMIJKGHTP-CYBMUJFWSA-N 271.129 -0.263 50 20 CBGD NC(=O)N[C@@H]1CCN(S(=O)(=O)CCCCl)C1 690805144 LTEYHISCUNOGLM-SSDOTTSWSA-N 269.754 -0.312 50 20 CBGD CC[C@H](C)C(=O)NNS(=O)(=O)c1ccn(C)n1 727357222 MCXBNXNKPLOKDC-ZETCQYMHSA-N 260.319 -0.224 50 20 CBGD CCOCC(=O)NNC(=O)NCCCC(=O)OCC 731280765 DAPJDWZJJMNAKN-UHFFFAOYSA-N 275.305 -0.303 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCN2CCC[C@H]2C1 731280838 FECAPZDUHOJZTJ-MNOVXSKESA-N 284.360 -0.020 50 20 CBGD CNC(=O)CCCNC(=O)NNC(=O)C1CCC1 732448779 HSXUKXFEVOPASK-UHFFFAOYSA-N 256.306 -0.357 50 20 CBGD O=C(CCCn1cncn1)NNC(=O)NCC1CC1 733138206 BCDIRABQIKBDBO-UHFFFAOYSA-N 266.305 -0.201 50 20 CBGD C[C@@H](C#N)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 735504481 NZQNLRUFPSNZEZ-ZETCQYMHSA-N 285.267 -0.213 50 20 CBGD CC(C)C(=O)NNS(=O)(=O)c1ccc(C(=O)O)o1 736346966 MDBKJTWNHXMDIJ-UHFFFAOYSA-N 276.270 -0.057 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1ccccc1[N+](=O)[O-] 751558202 PYORXYFTZRJXGR-UHFFFAOYSA-N 288.285 -0.413 50 20 CBGD C=CCCOCC(=O)NNC(=O)Cc1cc[nH]n1 755276169 KNJZBEBAJTWQPK-UHFFFAOYSA-N 252.274 -0.308 50 20 CBGD CC(C)N(CC(N)=O)CC(=O)NNC(=O)c1cccs1 762543372 FZRYFUBDJZOHNB-UHFFFAOYSA-N 298.368 -0.295 50 20 CBGD CC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CO)cc1C 764429201 PITSHVQFBQVRIE-UHFFFAOYSA-N 293.279 -0.724 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@@]1(O)CCSC1 765777154 IBHOOHKBCYAFNN-GFCCVEGCSA-N 281.337 -0.361 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N[C@@H](CO)C1CC1 771817673 HYOYMHUKTOJPQB-ONGXEEELSA-N 271.361 -0.071 50 20 CBGD CCCOCC(=O)O[C@@H](C)C(=O)NNC(=O)CC 772053112 RMGOZJYVTVGDLF-QMMMGPOBSA-N 260.290 -0.098 50 20 CBGD C[C@H]1COCCC1=NNC(=O)[C@@H](C)NS(C)(=O)=O 794507446 CPVJTAGOXBVHQV-JGVFFNPUSA-N 277.346 -0.547 50 20 CBGD Cc1ccc(C(=O)NN=C2C(=O)NC(=O)NC2=O)c(O)c1 814217955 IIGBJDBFXPGZQL-UHFFFAOYSA-N 290.235 -0.848 50 20 CBGD COC(=O)c1cc(C=NNC(=O)c2cnn(C)c2)on1 814852052 HPPQTBSSSLXLPU-UHFFFAOYSA-N 277.240 -0.041 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@@H](C)OC 821713785 KGMLTKKAVGVNIY-RKDXNWHRSA-N 277.321 -0.597 50 20 CBGD COC(=O)c1cc(C(=O)NN(C)[C@H](C)CO)ccn1 823947585 ZVLZQRYYFDYEEE-MRVPVSSYSA-N 267.285 -0.174 50 20 CBGD CCOC(=O)Cn1cnc(NC(=O)NNC(=O)OC)n1 824456328 YFLTVKCLQKJNSZ-UHFFFAOYSA-N 286.248 -0.766 50 20 CBGD CCCCNC(=O)NNC(=O)Cn1cc(C(=O)O)nn1 829401789 LAPRVSAUFZOHIW-UHFFFAOYSA-N 284.276 -0.893 50 20 CBGD CO[C@](C)(C(=O)NN(C)C(N)=O)C(=O)OC(C)(C)C 831518716 AYAYRYRVCZPQBB-LLVKDONJSA-N 275.305 -0.225 50 20 CBGD CC[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)N1CCCC1=O 843650843 HXQUFGBQLRYXMU-OUAUKWLOSA-N 297.355 -0.040 50 20 CBGD Cc1ncc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)[nH]1 843975989 VXDHTPYWGYQPRN-POYBYMJQSA-N 252.274 -0.096 50 20 CBGD COC(=O)C[C@@H](C)CC(=O)NNC(=O)N1CCOCC1 847403511 XSIFKMNSYFBQHD-VIFPVBQESA-N 287.316 -0.351 50 20 CBGD CO[C@@H](C)CNC(=O)NNC(=O)[C@@H]1CCCCO1 852531676 SZSKJTXLUTVARJ-IUCAKERBSA-N 259.306 -0.079 50 20 CBGD O=C(NN=C1CCn2ccnc21)[C@@H]1CN2CCC[C@@H]2CO1 853390718 JXHZTUMXIHEMPW-PWSUYJOCSA-N 289.339 -0.030 50 20 CBGD COCCN(C)NC(=O)c1ccn2nnnc2c1 854413551 RPFUAUKEXHLNNT-UHFFFAOYSA-N 250.262 -0.653 50 20 CBGD C[C@H](NC(=S)NNC(=O)Cn1cnc(C#N)n1)C1CC1 855098975 PDIIOTUAIVKTEI-ZETCQYMHSA-N 293.356 -0.556 50 20 CBGD O=C(CNC(=O)C1CC1)NNC(=O)OCC(F)(F)F 856025054 IWHHNXXQABMEQM-UHFFFAOYSA-N 283.206 -0.168 50 20 CBGD O=C(NNC(=O)[C@H]1CCNC1=O)c1cccc(F)n1 856427762 DVXRSSGMEUJEPM-LURJTMIESA-N 266.232 -0.882 50 20 CBGD CC(C)OCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858359570 HQQKGNMCZDONSD-QMMMGPOBSA-N 272.305 -0.980 50 20 CBGD CCOC(C)(C)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858378961 UEZAQLDFZOBHDP-MRVPVSSYSA-N 286.332 -0.590 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccnc(Cl)c2)N1 862450662 YLHKUUVBPTZIAD-ZETCQYMHSA-N 282.687 -0.225 50 20 CBGD O=C(C[C@@H]1CCCCO1)NNC(=O)[C@H]1CCC(=O)N1 862456718 RSGCCURZZDMWEA-DTWKUNHWSA-N 269.301 -0.628 50 20 CBGD C[C@@H]1CC[C@H](CCC(=O)NNC(=O)CS(C)(=O)=O)O1 863462473 DJRFZXYMYZVMTA-RKDXNWHRSA-N 292.357 -0.474 50 20 CBGD CCC[C@H](C)C(=O)NNC(=O)CS(C)(=O)=O 863463805 UXEWFTBIPHTKQI-ZETCQYMHSA-N 250.320 -0.385 50 20 CBGD CCC(C#N)(CC)C(=O)NNC(=O)CS(C)(=O)=O 863468143 QPAUCLAICQSBJE-UHFFFAOYSA-N 275.330 -0.492 50 20 CBGD C[C@@H]1CCOCCN1C(=O)c1cccc(B(O)O)c1 867218826 CKPIIZRIWPTFCT-SNVBAGLBSA-N 263.102 -0.383 50 20 CBGD COC(=O)N(C)NC(=O)N[C@H](C)C[S@](C)=O 875485144 OBUNJRBSKWKGKW-KXHHVGMCSA-N 251.308 -0.334 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCCc2nn[nH]c21 910147598 NZHGIEZDLKMUQJ-HTQZYQBOSA-N 253.306 -0.432 50 20 CBGD CC(=O)N1CCCC[C@H]1C(=O)NN(C)C[C@H](C)O 910170622 NQRJYOPLIMRNSQ-ONGXEEELSA-N 257.334 -0.269 50 20 CBGD Cc1nc(N2CCN(S(=O)(=O)CCl)CC2)n[nH]1 919492171 AHXHJVPMIVOGQQ-UHFFFAOYSA-N 279.753 -0.239 50 20 CBGD CC(Cn1cncn1)=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1118584644 AGIVFSQRETWHHI-SECBINFHSA-N 285.329 -0.795 50 20 CBGD CCn1ccc(C(=O)NNC(=O)CN2CCCC2=O)n1 1119600219 RORUDMTWYPZOEV-UHFFFAOYSA-N 279.300 -0.714 50 20 CBGD CCCNC(=O)NNC(=O)[C@H]1CN2CCN1C[C@H]2C 1123607368 PPBIXKDMBHGEHN-NXEZZACHSA-N 269.349 -0.885 50 20 CBGD O=C(CN1CC[C@@H](n2cncn2)C1)NNC(=O)C1CC1 1255250445 OQRBBKYVWHKBFP-SNVBAGLBSA-N 278.316 -0.918 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNC(=O)C(C)(C)C 1262596881 WPCPMRIBUNCNQT-VIFPVBQESA-N 257.334 -0.099 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)NC2)cc1 1317884722 DYYIVWFGYYAYAN-SNVBAGLBSA-N 291.307 -0.018 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(C2CC2)n(C)n1 1318761895 RDEPSFUJCBXXPP-UHFFFAOYSA-N 293.327 -0.417 50 20 CBGD CNC(=O)NNC(=O)C1CCN(c2cnccn2)CC1 1319001789 NNODOMJJKGPSDA-UHFFFAOYSA-N 278.316 -0.347 50 20 CBGD Nc1cnnc(NNC(=O)NCCn2cncn2)c1Cl 1319289075 HWQJHMGZTVCZRZ-UHFFFAOYSA-N 297.710 -0.370 50 20 CBGD O=C(NNC(=O)c1cnoc1C1CC1)C(=O)N1CCCC1 1319432234 BOVMKXWHAHYABC-UHFFFAOYSA-N 292.295 -0.065 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccnn1C(C)C 1320087181 AOAZQIYRIHMCHC-UHFFFAOYSA-N 269.261 -0.210 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cnccn1 1320368227 XAJHGUNZHUOWFF-ZETCQYMHSA-N 266.257 -0.421 50 20 CBGD CSc1ccncc1NC(=O)C(=O)NNC(=O)CCO 1321151700 IPWVEVPFJWTRSI-UHFFFAOYSA-N 298.324 -0.728 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)Cc1ccco1 1322253417 IWYUFPALTODOSQ-ZETCQYMHSA-N 269.257 -0.286 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1C[C@@H](OC)C1(C)C 1323666987 DKEUZXBQKLKROY-NKWVEPMBSA-N 273.289 -0.697 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H]1CCc2nncn2C1 1325022684 HKFAFFNHQOKCHH-SSDOTTSWSA-N 253.262 -0.430 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)SCCS(C)(=O)=O 1328627006 SNLPPIKAVUPVSP-SSDOTTSWSA-N 282.387 -0.290 50 20 CBGD C[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)c1ccn(C)n1 1328798180 CSVHROZJHCHRJD-SSDOTTSWSA-N 277.288 -0.152 50 20 CBGD CNC(=O)[C@@]1(C)CCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1331312074 FMYHBMIXGZMECV-LBPRGKRZSA-N 294.315 -0.778 50 20 CBGD O=C(CCc1cncs1)NNC(=O)C(=O)NC1CC1 1347782503 PYYFBLSADXZARS-UHFFFAOYSA-N 282.325 -0.498 50 20 CBGD CO[C@H](C=NNC(=O)[C@@H]1CCC(=O)N1)[C@H]1CCOC1 1348411641 NBMMPPBHGAYDQZ-LPEHRKFASA-N 269.301 -0.582 50 20 CBGD O=C(Cn1ccc(O)nc1=O)NNC(=O)CC(F)(F)F 1351044349 MBUVVKUDINVFCB-UHFFFAOYSA-N 294.189 -0.951 50 20 CBGD Nc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)cn1 1549318780 DQGLXMQLSDHYHU-VXGBXAGGSA-N 289.339 -0.023 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CC[C@H]2C(=O)O)cn1 1594530196 DNFITLQYSHVWQR-JGVFFNPUSA-N 266.257 -0.708 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H](C)CC(=O)O 1599801029 NQOPASNXDSWZOO-LURJTMIESA-N 279.387 -0.045 50 20 CBGD Cc1cc(C=NNC(=O)C(=O)NC(C)C)[nH]c1C(=O)O 1600184951 ALABBPOGQDSHCE-UHFFFAOYSA-N 280.284 -0.004 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@](F)(C(=O)O)C1 1602624782 JUCSTFLUTFQHGZ-GFCCVEGCSA-N 299.038 -0.856 50 20 CBGD Cn1cc(C(=O)NN=Cc2cc(C(=O)O)nn2C)cn1 1776044669 MEMILAOHPQILFS-UHFFFAOYSA-N 276.256 -0.384 50 20 CBGD CC(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841349631 DVPFSWHUIJDUGI-SECBINFHSA-N 260.721 -0.191 50 20 CBGD COc1cc(C)nc(NNC(=O)CCn2cncn2)n1 174484447 IWDCLYMXXWVQGI-UHFFFAOYSA-N 277.288 -0.081 50 20 CBGD CCN(CC)S(=O)(=O)NNC(=O)Cc1ccccn1 264863099 OLSULEXWRMODCX-UHFFFAOYSA-N 286.357 -0.169 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)C(=O)N2CCCC2)CC1 266899675 YUFUNMFEVKEVKU-UHFFFAOYSA-N 297.311 -0.901 50 20 CBGD NCCC(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 269060110 VEMSEUUWACCBQV-UHFFFAOYSA-N 298.368 -0.081 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1OC[C@H]2COCC[C@H]21 289392199 RCXSVAWDNIBLGY-CKYFFXLPSA-N 293.323 -0.162 50 20 CBGD COc1cncc(C(=O)NNC(=O)[C@@H]2CCCO2)n1 292251328 XRVSBOVWDQGWFK-QMMMGPOBSA-N 266.257 -0.575 50 20 CBGD COC(=O)NNC(=O)CN1C(=O)NC2(CCCC2)C1=O 298296793 IUXHQNYWYOSXAG-UHFFFAOYSA-N 284.272 -0.762 50 20 CBGD CN(C)c1cccc(C(=O)NNC(=O)CS(C)(=O)=O)c1 299059538 TUIKNRZELZIXNJ-UHFFFAOYSA-N 299.352 -0.442 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@H](CO)C1 584930712 BQGSKVZDIXXWJT-VIFPVBQESA-N 281.092 -0.650 50 20 CBGD CCCN(CC(=O)NC)C(=O)c1ccc(B(O)O)c(F)c1 584934630 VOYQMDLNFTXJKL-UHFFFAOYSA-N 296.107 -0.896 50 20 CBGD CN1[C@H]2CC[C@H]1CN(C(=O)c1ccc(B(O)O)cc1)CC2 584954116 FRJVQVUXZAEWIO-KBPBESRZSA-N 288.156 -0.325 50 20 CBGD C[C@](CO)(NC(=O)c1ccc(B(O)O)c(F)c1)C1CC1 584963607 VUWWYQYICVWQIC-CYBMUJFWSA-N 281.092 -0.604 50 20 CBGD C[C@@H]1[C@H](CO)CCCN1C(=O)c1cccc(B(O)O)c1 584999967 ICQNPWYWJLRTHV-PWSUYJOCSA-N 277.129 -0.401 50 20 CBGD OB(O)c1ccc(CNCCN2CCCOCC2)c(F)c1 585041011 SQSQBKHGBKASOJ-UHFFFAOYSA-N 296.151 -0.683 50 20 CBGD CN1CCO[C@@H](c2nc(-c3cccc(B(O)O)c3)no2)C1 585051792 DVVQUORFPRGSRO-LLVKDONJSA-N 289.100 -0.581 50 20 CBGD CNC(=O)NNC(=S)NCC(C)(C)CN(C)C 727080847 HUFYTABLWUBUIO-UHFFFAOYSA-N 261.395 -0.118 50 20 CBGD CN(C)CC(=O)NNC(=O)COCCOc1ccccc1 727761512 KWEWIBIZSVSAIY-UHFFFAOYSA-N 295.339 -0.209 50 20 CBGD CCOCC(=O)NNC(=S)NCCCC(=O)OC 731160906 HYWLLQBDLJBEKL-UHFFFAOYSA-N 277.346 -0.529 50 20 CBGD COC(=O)[C@H](C)CN(C)CC(=O)NNC(=O)C1CC1 733868792 ALFLYDMZEUSGMM-MRVPVSSYSA-N 271.317 -0.715 50 20 CBGD O=C(O)NCCC(=O)NNC(=O)c1ccccc1O 739938752 ZGIGNNJEEVPTRB-UHFFFAOYSA-N 267.241 -0.189 50 20 CBGD COc1ccnc(NNC(=O)CSCC(=O)O)n1 739982662 BYXWLOHZAPQFSL-UHFFFAOYSA-N 272.286 -0.254 50 20 CBGD Cc1c(C(=O)NNC(=O)c2ccccn2)nnn1C 741660174 MMGCEDJGWNEDMM-UHFFFAOYSA-N 260.257 -0.407 50 20 CBGD CN(C)S(=O)(=O)NNC(=O)Cc1cccnc1 742029722 PVMGEJPVSPVBSM-UHFFFAOYSA-N 258.303 -0.949 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H](C)COCCOC 745864436 QGZLQIJEJLUADK-SECBINFHSA-N 277.321 -0.595 50 20 CBGD CC1(C)C[C@@H]1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 751697505 NZWALTYNBHDUAZ-JGVFFNPUSA-N 289.357 -0.450 50 20 CBGD C[C@@H](O)C[C@H]1CCCN1CC(=O)NNC(=O)C1CC1 752142190 LCEZHACOZIGKPM-MWLCHTKSSA-N 269.345 -0.221 50 20 CBGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CO)cc1 755431611 LRQDWZFYKCGLRK-UHFFFAOYSA-N 287.297 -0.765 50 20 CBGD COCC(=O)NNC(=O)Nc1ccc(-n2cnnn2)cc1 755436894 WQQKTJRELFRESD-UHFFFAOYSA-N 291.271 -0.539 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cc(F)ccc1F 764295826 QXHJVTGHMQXOPR-UHFFFAOYSA-N 287.222 -0.303 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCCN(C(N)=O)C2)n[nH]1 765584049 VRBSJKHURCESAP-QMMMGPOBSA-N 294.315 -0.730 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(CCC(N)=O)CC1 767773048 LJCXGPUWIVTZPU-JTQLQIEISA-N 298.387 -0.090 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)ns1 767780787 LODMNCDRGAREPK-UHFFFAOYSA-N 282.325 -0.165 50 20 CBGD CC[C@H]1CN([C@H](CC)C(=O)NN(C)C(N)=O)CCO1 774092827 PYFWCAPFNUQOCP-VHSXEESVSA-N 272.349 -0.083 50 20 CBGD Cc1cc(C(=O)NNC(=O)CO)c(N)c([N+](=O)[O-])c1 777782129 RMCVMORSKIQLKM-UHFFFAOYSA-N 268.229 -0.761 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)[C@@H]1CCCOC1 779774227 SHFYKUQWMBFDHX-VHSXEESVSA-N 291.373 -0.157 50 20 CBGD CC[C@@H]1C[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)CCO1 779892454 JBXGUYXLQJSEND-WDEREUQCSA-N 297.355 -0.039 50 20 CBGD COc1ccc(NNC(=O)Cn2cccnc2=O)nc1 781525642 QBXUTJUYKBLIRR-UHFFFAOYSA-N 275.268 -0.210 50 20 CBGD CS(=O)(=O)NCCc1ccc(C(=O)NN)s1 783359374 VXGJTFPJMNTKKW-UHFFFAOYSA-N 263.344 -0.557 50 20 CBGD CNC(=O)[C@@H](CO)NS(=O)(=O)CCCCCl 784706349 BFSDKZQLYGTBJF-SSDOTTSWSA-N 272.754 -0.968 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)n[nH]1 787184105 NJTNJSHSVMSBGK-BDAKNGLRSA-N 293.327 -0.229 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@@H](CO)O1 787319144 PWFCEEXOIXHCKH-ZJUUUORDSA-N 287.360 -0.739 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cc(C(N)=O)cs1 787948252 AEXMPLPUBXKMNB-UHFFFAOYSA-N 271.298 -0.621 50 20 CBGD CCC(=O)N1CCC[C@H](C(=O)NNc2nc[nH]n2)C1 816633190 ROFZIDBMHVIPPL-QMMMGPOBSA-N 266.305 -0.104 50 20 CBGD CN(NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC1 819646418 XRWGPNRJDXILSP-UHFFFAOYSA-N 266.257 -0.118 50 20 CBGD CC(C)NC(=O)C(=O)NN=Cc1ccc(-c2nn[nH]n2)o1 820134312 YLPJDBCRZUDXMH-UHFFFAOYSA-N 291.271 -0.566 50 20 CBGD CCN(CCO)NC(=O)/C=C1\SCC(=O)N1C 823893516 LPYPRGOJBWNJNH-POHAHGRESA-N 259.331 -0.622 50 20 CBGD CC(C)CC(=O)NNC(=O)N[C@@H]1CCC(=O)N(C)C1=O 823898945 OWEPNKJYSOZKQA-MRVPVSSYSA-N 284.316 -0.490 50 20 CBGD CCC(=O)N[C@H](CCSC)C(=O)NN(C)[C@@H](C)CO 823971533 WDNVFJVFVOQQKU-VHSXEESVSA-N 291.417 -0.022 50 20 CBGD CCNC(=O)N(C)NC(=O)C[C@H](C(C)=O)C(=O)OCC 831854394 VCGGBJWLJWYGKJ-SECBINFHSA-N 287.316 -0.163 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1coc(C(N)=O)c1 843970626 IUPURZZKDIHNSO-HTRCEHHLSA-N 281.268 -0.436 50 20 CBGD Cc1cccnc1NNC(=O)[C@H]1CCS(=O)(=O)N1 846002621 RKWWWOMCLOULFS-MRVPVSSYSA-N 270.314 -0.475 50 20 CBGD C[C@@H](O)CN(CC(=O)NNC(=O)C1CC1)C1CC1 847098183 YROHUSYZQMNUIB-MRVPVSSYSA-N 255.318 -0.611 50 20 CBGD O=C(CN1CCC(=O)NC1=O)NCC(Cl)Cl 848384239 DKBPOIMJNOBZSE-UHFFFAOYSA-N 268.100 -0.152 50 20 CBGD O=C(CCn1cncn1)NNC(=S)NCC1CCC1 855093396 PYQUSSPYJVGMNU-UHFFFAOYSA-N 282.373 -0.036 50 20 CBGD CC1CCN(CC(=O)NNC(=O)c2cc[nH]n2)CC1 855357646 NXRAILJTXPYJLY-UHFFFAOYSA-N 265.317 -0.097 50 20 CBGD CCOC1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCCC1 862462428 QBFMSMXOXHJYIZ-VIFPVBQESA-N 283.328 -0.238 50 20 CBGD COc1ccc(NC(=S)NNC(=O)[C@@H](C)O)cn1 874954661 ZGXVZWIBGLFLPW-ZCFIWIBFSA-N 270.314 -0.211 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@@]2(C)C[C@H](O)CN2C)n1 900075689 BVWWSQJBARAPOF-GXFFZTMASA-N 279.344 -0.008 50 20 CBGD COC(=O)N(C)NC(=O)CNC(=O)N1CCCC1 908113551 VTNXTTPNBZZJKY-UHFFFAOYSA-N 258.278 -0.479 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ncn(C(C)(C)C)n1 910148867 YNOIPMVVCMHABI-MRVPVSSYSA-N 255.322 -0.010 50 20 CBGD C[C@H](NC(=S)NNC(=O)c1cn(C)c(=O)n1C)C1CC1 912160729 NZHWJPPAGBMSMD-ZETCQYMHSA-N 297.384 -0.369 50 20 CBGD CCOCC(=O)NNC(=O)NCCO[C@H]1CCOC1 927516186 WZNASMPRHGFYCY-VIFPVBQESA-N 275.305 -0.841 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccnn1C(C)C 1116290713 OQGIMTDQBOKMLK-UHFFFAOYSA-N 281.316 -0.250 50 20 CBGD Cn1nc(C(=O)NNC(=O)C(=O)NC2CC2)cc1C1CC1 1318751035 BGIVBGCHQIQXPP-UHFFFAOYSA-N 291.311 -0.663 50 20 CBGD N#CC(C#N)=CNNC(=O)CNC(=O)c1cccnc1 1319165517 GJNDXRDREKYHOE-UHFFFAOYSA-N 270.252 -0.637 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)Cc1nc[nH]n1 1320961862 NOJMKCIYTRPADF-ZETCQYMHSA-N 254.294 -0.818 50 20 CBGD CNc1nc(C)cc(C(=O)NNc2nnc(C)c(O)n2)n1 1323047534 DLXMJUOXJGXFDI-UHFFFAOYSA-N 290.287 -0.217 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1cc(C)[nH]n1 1323525623 IZQDTERJPNAWBV-VIFPVBQESA-N 299.331 -0.400 50 20 CBGD CO[C@H]1CN[C@H](C(=O)NNC(=O)CNc2ccccc2)C1 1574006210 HAQIOUUSGKCUFY-NEPJUHHUSA-N 292.339 -0.377 50 20 CBGD N[C@@H]1C[C@@H]1C(=O)NNC(=O)CCOc1ccccc1 1580398819 ZQQWKWWUYPWVNI-WDEREUQCSA-N 263.297 -0.050 50 20 CBGD CC(CCC(=O)O)=NNC(=O)[C@H](C)NS(C)(=O)=O 1592470151 HNQYWYKMVLDEPM-ZETCQYMHSA-N 279.318 -0.719 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccc(C(=O)O)n1C 1592762279 QIXHCNQCCMEURG-ZETCQYMHSA-N 255.274 -0.319 50 20 CBGD COCC[C@@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)O 1599212834 IXWQGWVDSRUIAY-GULOHRGCSA-N 292.295 -0.067 50 20 CBGD O=C(NCCn1cc(C(=O)O)nn1)NNC(=O)C1CCC1 1608456295 SDBUSEQUTRCNAB-UHFFFAOYSA-N 296.287 -0.893 50 20 CBGD Cc1cc(C)nc(NNC(=O)c2ccc(=O)n(C)n2)n1 22235871 LPUKDEYTDNQRKU-UHFFFAOYSA-N 274.284 -0.056 50 20 CBGD Cc1nn(CC(=O)NNC(=O)C2CC2)c(C)c1[N+](=O)[O-] 26967233 DJCQSACHNFZSST-UHFFFAOYSA-N 281.272 -0.034 50 20 CBGD O=S1(=O)CC[C@@H](CNS(=O)(=O)CCCCl)C1 38084342 UCMSKRWOULCGFZ-QMMMGPOBSA-N 289.806 -0.031 50 20 CBGD Cc1ccc(C(=O)NNc2ccc(C(N)=O)nn2)n1C 154389340 JWHUCMMLFNOWCZ-UHFFFAOYSA-N 274.284 -0.021 50 20 CBGD Cc1ccc(NNC(=O)NCC(=O)NCC2CC2)nn1 181998231 RZPISXAEDQFMAY-UHFFFAOYSA-N 278.316 -0.063 50 20 CBGD Cn1nccc1S(=O)(=O)NNC(=O)NC1CCCC1 263860099 RWNKEHWHEPSTBE-UHFFFAOYSA-N 287.345 -0.145 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1nccnc1Cl 270544281 YHPWRGLTCKVVQS-UHFFFAOYSA-N 287.707 -0.322 50 20 CBGD C=C[C@](C)(O)CC(=O)NNC(=O)Cn1nc(C)cc1C 278586128 KAGSOGUAVXUKEO-ZDUSSCGKSA-N 280.328 -0.026 50 20 CBGD COC(=O)COCC(=O)NNc1nccc(OC)n1 287363222 AJBJZZQGNNREQU-UHFFFAOYSA-N 270.245 -0.882 50 20 CBGD CN(NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)C(N)=O 367852299 BUOVVHFCDJVHAM-JTQLQIEISA-N 297.359 -0.044 50 20 CBGD C[C@H](C(=O)Nc1cccc(B(O)O)c1)[C@@H](C)S(C)(=O)=O 584914325 UZFLSSAWEKQKTD-DTWKUNHWSA-N 299.157 -0.626 50 20 CBGD COC1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584926280 IOPIKLSSAPMZKI-UHFFFAOYSA-N 281.092 -0.244 50 20 CBGD CCCN(CCN(C)C)C(=O)c1ccc(B(O)O)c(F)c1 584951333 PIYJPCKQFCOIKA-UHFFFAOYSA-N 296.151 -0.081 50 20 CBGD C[C@@H]1CN(C)C[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584959108 XNBQVVOGXREAHK-PELKAZGASA-N 280.108 -0.815 50 20 CBGD CS[C@H]1CC[C@@H]1NC(=O)c1cccc(B(O)O)c1 584960308 QCTKLIMCAZANJX-QWRGUYRKSA-N 265.143 -0.010 50 20 CBGD C[C@H]1CC[S@](=O)CCN1C(=O)c1ccc(B(O)O)cc1 584984190 YIVPISWYSARQAT-FVINQWEUSA-N 295.169 -0.651 50 20 CBGD C[C@H](Cn1cnnc1)NCc1ccccc1B(O)O 585029965 CGINTCQHIXLKMH-SNVBAGLBSA-N 260.106 -0.864 50 20 CBGD Cn1ncc(C2CC2)c1S(=O)(=O)N1CC[C@H](B(O)O)C1 585057345 RIYCXUHTWPAAIA-VIFPVBQESA-N 299.161 -0.465 50 20 CBGD O=C(NCB(O)O)[C@H]1C[C@]12CCOc1ccccc12 585060389 PXAHBGQAJCGLAS-MFKMUULPSA-N 261.086 -0.145 50 20 CBGD O=C(CNC(=O)c1cc2c(s1)CCCC2)NCB(O)O 585061836 JAQAKCCBFFZTMS-UHFFFAOYSA-N 296.157 -0.515 50 20 CBGD O=C(Cn1cc(C2CC2)cn1)N1CC[C@@H](B(O)O)C1 585066822 NOIGCVHQXFPORS-LLVKDONJSA-N 263.106 -0.164 50 20 CBGD CNC(=O)NNC(=O)C1(C(=O)NC2CC2)CCC1 729340205 DZKOSPZQCDGYOS-UHFFFAOYSA-N 254.290 -0.605 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C 733359198 GTMYMQPJUTUWLI-JTQLQIEISA-N 298.387 -0.268 50 20 CBGD Cc1nonc1C(=O)NNC(=O)c1cnn(C)c1 735444457 XLRDCOUGVGWOLG-UHFFFAOYSA-N 250.218 -0.814 50 20 CBGD CN(C)c1nccc(NNC(=O)CSCC(=O)O)n1 739619441 QCGWTXUZCMMLTO-UHFFFAOYSA-N 285.329 -0.197 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)NC1CCCC1 744053229 JXJGPUPVPXINIQ-UHFFFAOYSA-N 263.319 -0.696 50 20 CBGD C#CCOCCNC(=O)NNc1nccc(OC)n1 753384842 ZDVBVBMDMXEOGE-UHFFFAOYSA-N 265.273 -0.239 50 20 CBGD COc1cc(C)cc(C(=O)NNC(=O)CO)c1O 753442708 MWRGDEQGXIQOKN-UHFFFAOYSA-N 254.242 -0.537 50 20 CBGD CS(=O)(=O)CCC(=O)NNc1cc(Cl)nc(N)n1 753455607 UKJQXNPZQSIQLG-UHFFFAOYSA-N 293.736 -0.410 50 20 CBGD CC(=O)NNC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O 757697117 VQROLNREWJITCE-SECBINFHSA-N 277.346 -0.786 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@@H]1CCNC(=O)C1 760563912 ZOPHSCNLKRLYPJ-SECBINFHSA-N 291.307 -0.018 50 20 CBGD Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=O)c1ccnnc1 761228560 LRKPCNKFWVKYLR-UHFFFAOYSA-N 290.239 -0.202 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc(C(=O)O)cc1F 775249066 CMEZQXOWVKGSJN-UHFFFAOYSA-N 276.245 -0.147 50 20 CBGD CC(C)(O)C(=O)NNC(=O)Cc1ccc2c(c1)OCCO2 787949228 KUEADQWEDOYLCT-UHFFFAOYSA-N 294.307 -0.081 50 20 CBGD O=C(Cn1cccnc1=O)NNc1ncccc1F 804219997 KQWXKNANLOCCEJ-UHFFFAOYSA-N 263.232 -0.079 50 20 CBGD C[C@H](CNC(=O)NNc1ncncc1F)S(C)(=O)=O 814314409 COFZSMKXVOBCPY-ZCFIWIBFSA-N 291.308 -0.325 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NCC(Cl)Cl 819795407 WXZOQWZMDOPULW-BYPYZUCNSA-N 263.146 -0.156 50 20 CBGD CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)s1 819811015 UQIDNFSHDYHZFC-UHFFFAOYSA-N 252.259 -0.291 50 20 CBGD CCN(CCO)NC(=O)C1(S(C)(=O)=O)CCCC1 823855806 GOTWEERXTHGRAE-UHFFFAOYSA-N 278.374 -0.311 50 20 CBGD COC(=O)c1cc(C(=O)NN(C)[C@H](C)CO)n(C)n1 823908107 TXHHIRVYTAKPBG-SSDOTTSWSA-N 270.289 -0.836 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1c[nH]nc1-c1cnn(C)c1 823934068 AWZUWJQPFAKTNU-QMMMGPOBSA-N 278.316 -0.232 50 20 CBGD C[C@@H](C(=O)N(C)CC(=O)NN(C)[C@H](C)CO)n1cccn1 823969966 AKJCZKDTOWRJAB-MNOVXSKESA-N 297.359 -0.754 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=O)c1c[nH]nc1C 826755649 ZFGPKQMMVYKXDT-MRVPVSSYSA-N 256.262 -0.859 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1O[C@H]2C=C[C@H]1CC2 831514011 GUHKTNVWAZZSLI-RYUDHWBXSA-N 259.070 -0.159 50 20 CBGD O=C(COc1ccc(F)cc1)NNC(=O)[C@@]1(O)CCOC1 840240379 JCANUGWOKRCRMF-CYBMUJFWSA-N 298.270 -0.497 50 20 CBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843646023 HZTLUCBWOCGBAK-LURQLKTLSA-N 270.285 -0.632 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)nn1 843663250 XIVZWAUTANCMOU-RKDXNWHRSA-N 264.285 -0.029 50 20 CBGD C[C@@H](NC(=S)NNC(=O)C1=NNC(=O)C1)C1CC1 855100842 JUNAGUXZCSASAY-RXMQYKEDSA-N 269.330 -0.844 50 20 CBGD CC(C)N1CC(=NNC(=O)CS(C)(=O)=O)[C@@H](C)C1 863187527 NYYYGMCSJKAIEQ-VIFPVBQESA-N 275.374 -0.137 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H](O)Cc1ccccc1 869905915 FPIATGYTNQSTMB-LBPRGKRZSA-N 296.323 -0.600 50 20 CBGD C[C@@H]1C(=O)CCCN1C(=O)c1cc(B(O)O)ccc1F 885064045 YJFCSHWCCRVURE-MRVPVSSYSA-N 279.076 -0.301 50 20 CBGD CN1CCO[C@H](C(=O)NNc2ccc(C#N)cc2)C1=O 901163258 SWVYBZXTFAGLGY-LLVKDONJSA-N 274.280 -0.141 50 20 CBGD CN1C(=O)CCC[C@H]1C(=O)NNC(=O)c1ccccn1 905018576 RZIJEUOFMOPIFK-JTQLQIEISA-N 276.296 -0.147 50 20 CBGD COC[C@@H]1COCCN1CC(=O)NNC(=O)C(C)(C)C 933331543 OQYYLFOLDQZLFV-SNVBAGLBSA-N 287.360 -0.473 50 20 CBGD C[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)n1ccnc1 1115921780 RDHCDWXGAOEBQY-VIFPVBQESA-N 279.300 -0.786 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccnc(O)c1 1116560691 UJLNHYASAQKOOS-UHFFFAOYSA-N 261.241 -0.486 50 20 CBGD CN(NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CC1 1118096370 NRLUOYVYMTZESO-UHFFFAOYSA-N 266.257 -0.118 50 20 CBGD Cc1c(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cnn1C 1118186593 HGKYXGWEQNLYQX-ONGXEEELSA-N 295.343 -0.016 50 20 CBGD Nc1cnnc(NNC(=O)[C@]2(F)CCNC2)c1Cl 1118267591 KRIGBERSUAVTLA-VIFPVBQESA-N 274.687 -0.143 50 20 CBGD COCCOCC(=O)NNC(=O)C1(C)CCOCC1 1119044483 HGIVDINXAFORFD-UHFFFAOYSA-N 274.317 -0.387 50 20 CBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NN=c1cc[nH]cc1Cl 1123692089 OXIZXRASMSGJEB-SKDRFNHKSA-N 295.774 -0.012 50 20 CBGD Cn1cccc1C(=O)NNS(=O)(=O)c1cnc[nH]1 1318586303 RDRIAQDFKCYFFX-UHFFFAOYSA-N 269.286 -0.629 50 20 CBGD NC(=O)NC1(C(=O)NNc2ncc(F)cn2)CC1 1319909265 XURQLJHEQFEHOV-UHFFFAOYSA-N 254.225 -0.740 50 20 CBGD COc1ccncc1NC(=O)C(=O)NNC(=O)C1CC1 1323941526 RPWQKITWBXNFPJ-UHFFFAOYSA-N 278.268 -0.414 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCOCC1CCCC1 1324700292 HSXFBQZZFCUBMK-UHFFFAOYSA-N 287.316 -0.303 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)CC1OCCO1 1326835435 JUMJAFVLEAJLBS-UHFFFAOYSA-N 265.269 -0.466 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)N[C@@]2(C(N)=O)CCOC2)cn1 1327126928 HXEPVURBXDIRGJ-CFDVYZKQSA-N 289.295 -0.912 50 20 CBGD C[C@@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccn1 1330109943 YNQNUFHARSUQAX-SCZZXKLOSA-N 276.296 -0.389 50 20 CBGD CC[C@H](C(=O)NNC(=O)C1CCOCC1)[C@@H](C)O 1333588907 TVACBBMMBLDPQN-SCZZXKLOSA-N 258.318 -0.033 50 20 CBGD CCc1nc(C(=O)NNC(=O)C(=O)NC(C)C)co1 1338251333 QCUOGBYXVBLTPL-UHFFFAOYSA-N 268.273 -0.477 50 20 CBGD CN(C)c1ccc2c(c1)N(C)C(=O)C2=NNC(=O)CCO 1343714004 YOWWRHQRRVUKRC-UHFFFAOYSA-N 290.323 -0.068 50 20 CBGD CSCCNC(=S)NNC(=O)[C@H](N)CCN(C)C 1579374491 QDNYGIOIDLTTDZ-MRVPVSSYSA-N 293.462 -0.876 50 20 CBGD Cc1cn2ccnc(C(=O)NNC(=O)[C@@H]3CCN3)c2n1 1579818996 OGLXNXBEFXWCIC-QMMMGPOBSA-N 274.284 -0.839 50 20 CBGD O=C(COCc1ocnc1C(=O)O)NNc1ccncn1 1608349302 FKJLMSCCSSBSCJ-UHFFFAOYSA-N 293.239 -0.177 50 20 CBGD O=C(O)CC1CC(=NNC(=O)C(=O)NC2CC2)C1 1608690148 ABBQELDZUFYMQD-UHFFFAOYSA-N 253.258 -0.378 50 20 CBGD CCC(=O)NNS(=O)(=O)c1cnc(C)c(C(=O)O)c1 1609881073 JLCJCJHOWLNQRK-UHFFFAOYSA-N 287.297 -0.192 50 20 CBGD CCN1CCO[C@@H](C(=O)NNC(=O)C(C)(C)C)C1 81257674 LNCCEHOMWUGZOI-SECBINFHSA-N 257.334 -0.099 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCn3cncc3C2)[nH]n1 153894690 VBHSDUHUQILRAR-SECBINFHSA-N 288.311 -0.062 50 20 CBGD CC(C)(F)C(=O)NNC(=O)CNC(=O)c1ccco1 155333880 JEPLSIBLDRQIMJ-UHFFFAOYSA-N 271.248 -0.095 50 20 CBGD O=C(CO)NNC(=O)Cc1c[nH]c2ccc(F)cc12 180960590 HWWJUTBKXXVWHY-UHFFFAOYSA-N 265.244 -0.011 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=O)CNc1ccccc1 264354652 ZYXQGLHRJDINHD-UHFFFAOYSA-N 294.311 -0.056 50 20 CBGD CCOc1ccc(S(=O)(=O)NNC(=O)N(C)C)cn1 273466607 PCLYDQZRSKIPNN-UHFFFAOYSA-N 288.329 -0.055 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)CBr 308423948 PYNDVXQHGODCQZ-UHFFFAOYSA-N 274.140 -0.166 50 20 CBGD CN(C)C[C@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 584942422 GUHNQWFPRGMTGR-CQSZACIVSA-N 290.172 -0.077 50 20 CBGD CS[C@@H](C)CNC(=O)c1ccc(B(O)O)cc1 584964813 JGGSTCZYLXSZSX-QMMMGPOBSA-N 253.132 -0.152 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1[C@H]2CC[C@H]1COC2 585000135 ZLSKWIXJCJAKFH-UWVGGRQHSA-N 279.076 -0.491 50 20 CBGD C[C@@H](C[S@@](C)=O)NCc1cccc(B(O)O)c1 585035506 VHYUTMAGYCCZAE-HUTHGQBESA-N 255.148 -0.777 50 20 CBGD CCc1nc(CNCc2ccc(B(O)O)cc2F)n[nH]1 585043705 TVHWYNXGRCXDTD-UHFFFAOYSA-N 278.096 -0.524 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@H]1CCCN(C(N)=O)C1 732073362 GDLQBPGHWMAWBR-VIFPVBQESA-N 293.327 -0.423 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@@H]2CNC[C@@H]2C1 732198395 PHJLBQDTPVUZNY-BBBLOLIVSA-N 254.334 -0.917 50 20 CBGD CC(C)C[C@H](NC(=O)O)C(=O)NNC(=O)c1cnn[nH]1 736415367 JJBGLIHLNACTEB-LURJTMIESA-N 284.276 -0.752 50 20 CBGD CN(CC#N)CC(=O)NNC(=O)c1ccc(C#N)cc1 744393201 KWWRSLHAFDCHSC-UHFFFAOYSA-N 271.280 -0.225 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](O)[C@H](CC)C1 761129190 YJLATWOPVNPGLZ-AEJSXWLSSA-N 257.334 -0.365 50 20 CBGD CN1CCN(C(=O)NNC(=O)C2(O)CCCC2)CC1 773671848 CTZOPYFAQHDINZ-UHFFFAOYSA-N 270.333 -0.720 50 20 CBGD CN(NC(=O)COCCNC(=O)OC(C)(C)C)C(N)=O 778418601 OKHXCWKHBKAFQG-UHFFFAOYSA-N 290.320 -0.431 50 20 CBGD COC[C@@H](CNC(=O)NNC(=O)CC(F)(F)F)OC 781396188 JRNCODBAXXXVFT-ZCFIWIBFSA-N 287.238 -0.069 50 20 CBGD COCCCNC(=O)NNC(=O)Cc1ccn(C)n1 782591995 FHTKDRUOCVAVSY-UHFFFAOYSA-N 269.305 -0.671 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CN(C)C(=O)c2ccccc21 784892802 KCRSDSSYPSDZOF-SNVBAGLBSA-N 276.296 -0.184 50 20 CBGD CC[C@@](C)(C#N)C(=O)NNC(=O)C(=O)NC(C)C 794620890 LICFQVHZNALXNE-NSHDSACASA-N 254.290 -0.402 50 20 CBGD CNS(=O)(=O)NNC(=O)CSc1ccccc1O 795902997 WDUQPGLJCUDVHB-UHFFFAOYSA-N 291.354 -0.431 50 20 CBGD CC(C[C@@H]1CCC(=O)N1)=NNC(=O)C(=O)NC(C)C 811636927 PZSKWYNCIDXCRU-VIFPVBQESA-N 268.317 -0.328 50 20 CBGD Cc1nc(C(=O)NNC(=O)N2CCOCC2)c(C)o1 814312394 GFRYMPBBFCEEBH-UHFFFAOYSA-N 268.273 -0.022 50 20 CBGD O=C(NN=C1CC(C(=O)O)C1)N[C@@H]1CCS(=O)(=O)C1 814816165 OKZKWYDTPFVURS-COBSHVIPSA-N 289.313 -0.677 50 20 CBGD Cn1cnn(CC(=O)NNc2cccc(Cl)n2)c1=O 817011197 JKZPAVVTIVKWIU-UHFFFAOYSA-N 282.691 -0.227 50 20 CBGD CCN(CCO)NC(=O)c1cc(N2CCOCC2)ccn1 823838627 SUSFLVLXRCEPBR-UHFFFAOYSA-N 294.355 -0.123 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1COC(C)(C)C1 841625101 ZYEAUHOLOKRYQR-SSDOTTSWSA-N 277.346 -0.405 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CC[C@@H]1C(N)=O 848234073 BUABPZDHHGPLHD-XSPKLOCKSA-N 269.301 -0.930 50 20 CBGD CNC(=S)N(C)NC(=O)C(C)(C)S(C)(=O)=O 854923759 HSSZMTUSCPQMIM-UHFFFAOYSA-N 267.376 -0.723 50 20 CBGD CCCCN(C)S(=O)(=O)NNC(=O)c1cn[nH]c1 863413546 IYIVLXLCPKDUSJ-UHFFFAOYSA-N 275.334 -0.379 50 20 CBGD CCCCNC(=S)NNC(=O)[C@@H]1CCC(=O)N1 913437922 AHTIBRLORBQUDX-ZETCQYMHSA-N 258.347 -0.440 50 20 CBGD O=C(Cn1cc([N+](=O)[O-])cn1)NNC(=O)CC(F)(F)F 918365757 CQGPXKWWTBCTEZ-UHFFFAOYSA-N 295.177 -0.109 50 20 CBGD CN(CCO)CCNC(=O)/C(C#N)=C/c1cnn(C)c1 925004637 JNWLAXAXMXJAJI-KPKJPENVSA-N 277.328 -0.633 50 20 CBGD O=C(C[C@@H]1CCC(=O)N1)NNC(=O)NCC(F)(F)F 1118700608 PPFBDHQFLXLPBR-YFKPBYRVSA-N 282.222 -0.452 50 20 CBGD O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@@H](B(O)O)C1 1118974243 GXMVINRGAXJHOC-MRVPVSSYSA-N 282.065 -0.743 50 20 CBGD Cc1nn(C)c(Br)c1C(=O)NNC(=O)CO 1256667427 HOSOFVZXHWFYJC-UHFFFAOYSA-N 291.105 -0.756 50 20 CBGD CN(C)C(=O)NNC(=O)Cc1ccccc1S(C)(=O)=O 1256938002 ZDQWQIOAYYCNJE-UHFFFAOYSA-N 299.352 -0.065 50 20 CBGD Cn1cc(C(=O)NNc2nncc(N)c2Cl)nn1 1261182257 MUVMJITXIASBAB-UHFFFAOYSA-N 268.668 -0.402 50 20 CBGD Cc1nnc2n1C[C@H](C(=O)NNC(=O)N(C)C)CC2 1319628325 VGGZSGYWWWJTLF-MRVPVSSYSA-N 266.305 -0.549 50 20 CBGD Cn1cncc1C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1319706104 YTAPJXPVJAGNEU-MRVPVSSYSA-N 285.329 -0.760 50 20 CBGD Cc1nn(C)cc1C=NNC(=O)[C@H](C)NS(C)(=O)=O 1320193945 QHXBLGDPHXHZBT-QMMMGPOBSA-N 287.345 -0.884 50 20 CBGD O=C(C[C@H]1CCOC1)NNC(=O)C(=O)N1CCCC1 1323086293 XEIKPHHZTAWQMK-SECBINFHSA-N 269.301 -0.817 50 20 CBGD O=C(CCCCc1cnn[nH]1)NNC(=O)Cc1cc[nH]n1 1324017007 UCLUIQDGJSKJBA-UHFFFAOYSA-N 291.315 -0.369 50 20 CBGD Cn1nncc1NNC(=O)CCCCN1CCOCC1 1325023784 WMTMFVQDXAUXAB-UHFFFAOYSA-N 282.348 -0.239 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1C[C@H](OC)C12CCC2 1326786354 JIUSHSDFAPZSNK-YUMQZZPRSA-N 285.300 -0.553 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)C[C@H]1CCCC(=O)N1 1327402080 OZFARDCEBPIXNA-LLVKDONJSA-N 290.323 -0.170 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)C[C@@H]1CCCC(=O)N1 1327402081 OZFARDCEBPIXNA-NSHDSACASA-N 290.323 -0.170 50 20 CBGD CCC1(CNC(=O)NNC(=O)c2cn[nH]c2)COC1 1330029666 UJTXFXVIBZEAHX-UHFFFAOYSA-N 267.289 -0.220 50 20 CBGD O=C(NNC(=O)c1cccnn1)N[C@H]1CCSC1 1331289674 SODARWZRIVRIPA-ZETCQYMHSA-N 267.314 -0.074 50 20 CBGD CC(=O)N1CCCN(CC(=O)NNC(=O)C2CC2)CC1 1334096414 VESUWIMLTNLHEK-UHFFFAOYSA-N 282.344 -0.902 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccn(C(C)C)n1 1339715089 WHWSTAWNTQNUNS-UHFFFAOYSA-N 269.261 -0.210 50 20 CBGD Cn1nncc1C(=O)NNC(=O)NC1CCCC1 1339826682 PURCZODRSHIWKX-UHFFFAOYSA-N 252.278 -0.298 50 20 CBGD COC(=O)N(C)NC(=O)N[C@@H](C)CN1CCN(C)CC1 1352517916 RABILJPWHWTPHB-JTQLQIEISA-N 287.364 -0.465 50 20 CBGD CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)c1cn[nH]c1 1517991324 DXUVXNASRZRWTK-IUCAKERBSA-N 252.274 -0.014 50 20 CBGD CC1(C)CN[C@H]1C(=O)NNC(=O)NCC(F)(F)F 1573615292 VRKCUBKGFOAXRO-YFKPBYRVSA-N 268.239 -0.123 50 20 CBGD NCC1(C(=O)NNC(=O)C2CCCC2)CC(O)C1 1580236111 PPILTTMLEBULPK-UHFFFAOYSA-N 255.318 -0.576 50 20 CBGD Nc1ccc2c(c1)CC[C@H]2NC(=O)NNC(=O)C(=O)O 1601216902 VFUMFLYRYAPKQW-SECBINFHSA-N 278.268 -0.329 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCc2ccc(O)cc21 1608476974 DHNWVBQOWWBGCR-SECBINFHSA-N 279.252 -0.206 50 20 CBGD CC(C)NC(=S)NNC(=O)c1cnc(C(=O)O)cn1 1609707570 JXYXAJJPQVVKDD-UHFFFAOYSA-N 283.313 -0.308 50 20 CBGD C[C@H](CC(=O)O)CC(=O)NNc1ccc(C(N)=O)nn1 1609733344 MVNYBBXHLRAOML-LURJTMIESA-N 281.272 -0.481 50 20 CBGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)C(=O)O)C12CCC2 1610030526 MEKDIMVYEMARHQ-HTQZYQBOSA-N 285.300 -0.251 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccccc2O)N1 6095187 GSJXNPYYEXPWOH-MRVPVSSYSA-N 263.253 -0.568 50 20 CBGD COC(=O)C[C@H](C)C(=O)NNC(=O)c1cccn1C 121417022 LCMHVARVVDGSLN-QMMMGPOBSA-N 267.285 -0.015 50 20 CBGD COc1ccc(NNC(=O)[C@H]2CN(C)CCO2)nc1 159187779 UDDBASVZWUXGBL-SNVBAGLBSA-N 266.301 -0.136 50 20 CBGD CN(NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C(N)=O 181086712 HMUNNCTVAPJZAP-QMMMGPOBSA-N 268.317 -0.181 50 20 CBGD CN(NC(=O)CNC(=O)Cc1cccc(F)c1)C(N)=O 181092585 YKCOTMMISBUVFA-UHFFFAOYSA-N 282.275 -0.474 50 20 CBGD CCN(C)S(=O)(=O)NNC(=O)c1ccccc1O 266768657 IYELAOMEOVGWBX-UHFFFAOYSA-N 273.314 -0.177 50 20 CBGD C[C@@H](NC(=O)c1cccs1)C(=O)NNC(=O)C(C)(C)O 276321007 WOEKPSLWFITDGW-SSDOTTSWSA-N 299.352 -0.215 50 20 CBGD COC(=O)NCCCC(=O)NNC(=O)c1cc(C)[nH]n1 493709458 IMEJSIUBRTVFCJ-UHFFFAOYSA-N 283.288 -0.385 50 20 CBGD CC[C@H](C)[C@@](C)(O)CNC(=O)c1ccc(B(O)O)cc1 584951075 IBBSQCHXOOBSKR-HZMBPMFUSA-N 279.145 -0.107 50 20 CBGD O=C(N[C@H]1CCCc2c[nH]nc21)c1ccc(B(O)O)cc1 584963547 VCFBRPGMNHZMNC-LBPRGKRZSA-N 285.112 -0.103 50 20 CBGD CN1C[C@@H]2CCCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2C1 585000837 OGBCRGRXSBVYPO-GXTWGEPZSA-N 288.156 -0.467 50 20 CBGD C[C@H](CCn1cncn1)NCc1ccc(B(O)O)cc1 585018214 SFSZSHNNXVGOBR-LLVKDONJSA-N 274.133 -0.474 50 20 CBGD C[C@@H](CCNCc1ccc(B(O)O)o1)[S@](C)=O 585034371 PBDSDYHYLAUBOG-QPFGOUBPSA-N 259.136 -0.794 50 20 CBGD Cc1nc([C@@H](C)NCc2ccc(B(O)O)cc2)no1 585041100 TZJJTIJRSBJHEP-MRVPVSSYSA-N 261.090 -0.091 50 20 CBGD C[C@H]1C[C@@H](NCc2ccc(B(O)O)cc2F)c2ncnn21 585046000 PFOXTMMWNHNHLG-QPUJVOFHSA-N 290.107 -0.107 50 20 CBGD Cc1ccc(S(=O)(=O)NCB(O)O)c(C)c1[N+](=O)[O-] 585057152 NNNGQTHQOLMBLA-UHFFFAOYSA-N 288.090 -0.498 50 20 CBGD COc1cccc(SCC(=O)NCB(O)O)c1 585060150 ADZRVGZCYHHQGM-UHFFFAOYSA-N 255.104 -0.085 50 20 CBGD Cc1c(C(=O)NCB(O)O)cnn1-c1ccccc1 585060468 DPAVYQBRLVTJBY-UHFFFAOYSA-N 259.074 -0.077 50 20 CBGD Cc1ccn(-c2ccc(C(=O)NCB(O)O)cc2)n1 585061797 HEKUQKSEYBEAIB-UHFFFAOYSA-N 259.074 -0.077 50 20 CBGD CCONC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 736627990 YLGQKFZGVADTBY-UHFFFAOYSA-N 291.271 -0.238 50 20 CBGD CCCS(=O)(=O)CC(=O)NNc1cccnn1 736698213 FSDBFJPTCCGHIS-UHFFFAOYSA-N 258.303 -0.256 50 20 CBGD O=C(CO)NNC(=O)c1cc(OCC(F)F)ccn1 753445091 FROMFGKRURHURF-UHFFFAOYSA-N 275.211 -0.521 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1cccnn1 757660382 GNTVWAPEJNZFCL-MRVPVSSYSA-N 283.288 -0.319 50 20 CBGD CN1CC[C@@H](C(=O)NNc2ncc(F)cn2)CC1=O 760906376 UDIPOFYTYLJTML-SSDOTTSWSA-N 267.264 -0.073 50 20 CBGD CC#CC(=O)NNC(=O)[C@H]1COc2ccccc2O1 763917874 CNZXRJDTGNGKGQ-LLVKDONJSA-N 260.249 -0.003 50 20 CBGD N#Cc1ccc(C(=O)NN=Cc2cn(CC(=O)O)nn2)cc1 768482094 HUNCMOYOQHLSCT-UHFFFAOYSA-N 298.262 -0.002 50 20 CBGD C=C1c2ccccc2C(=O)N1CC(=O)NNC(=O)CO 777782530 GREAQZJIGXTOMT-UHFFFAOYSA-N 275.264 -0.747 50 20 CBGD CC[C@@H](C)NC(=S)NNC(=O)NCC(=O)OC 779719918 FNFUIJLIYZGMSB-ZCFIWIBFSA-N 262.335 -0.364 50 20 CBGD CN(C)CCc1ccccc1NC(=O)NNC(=O)CO 782905320 HPOAXJVYEUUVRV-UHFFFAOYSA-N 280.328 -0.064 50 20 CBGD Cc1nnccc1C(=O)NNC(=O)N1CCN(C)CC1 807382656 MXUGAZGWVGMKPX-UHFFFAOYSA-N 278.316 -0.613 50 20 CBGD COCCN(C)NC(=O)c1cccn2c(O)nnc12 816562471 MURUWNHRGQPKMC-UHFFFAOYSA-N 265.273 -0.342 50 20 CBGD CN(C)S(=O)(=O)NCC(=O)NNc1ccc(F)cc1 816843817 CUWVAGUTBQPWJE-UHFFFAOYSA-N 290.320 -0.335 50 20 CBGD CCNC(=O)NNC(=O)C[C@H](C(C)=O)C(=O)OCC 823799687 SEFMWHNMRBXSBE-MRVPVSSYSA-N 273.289 -0.505 50 20 CBGD CCN(CCO)NC(=O)[C@@]1(C)CCN(C(C)=O)C1 823864697 ALAOBFPRMKATIG-LBPRGKRZSA-N 257.334 -0.410 50 20 CBGD O=C(Cn1cnc(-c2nn[nH]n2)n1)NNc1ccccc1 826425467 FOLGANZABZQYMS-UHFFFAOYSA-N 285.271 -0.399 50 20 CBGD C[C@@H](CN(C)C)NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 827071351 DBNXYBJLJLWXMC-LPEHRKFASA-N 272.349 -0.308 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCCc3nn[nH]c32)cn1 828087257 HBRWSYOGPJGQED-QMMMGPOBSA-N 289.299 -0.581 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 843970816 LSGRFHCLVYMWHX-MMWGEVLESA-N 297.355 -0.150 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)C[C@@H]1COCCO1 852497637 ZCCMROVLIQAPPQ-NXEZZACHSA-N 273.333 -0.721 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2C[C@H](N)C2)n1 852841290 ITEQLWATAAUFPB-ZKCHVHJHSA-N 251.290 -0.026 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H](C)[C@H]1CCC(=O)N1 860667060 AOFUKJBGRIKJMV-HTQZYQBOSA-N 256.306 -0.406 50 20 CBGD Cc1ccc(CC(=O)NNC(=O)CS(C)(=O)=O)o1 863464732 SPJFDFZBARFPOG-UHFFFAOYSA-N 274.298 -0.677 50 20 CBGD C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)CS(C)(=O)=O)[C@@H]1C 863467959 OBPNJLFTUFNCPZ-IBCQBUCCSA-N 292.357 -0.762 50 20 CBGD CON(C)C(=O)[C@@H](C)NC(=O)/C(C#N)=C\c1cnn(C)c1 863710060 IOVVNHJBTKJESN-QQCYMQAYSA-N 291.311 -0.148 50 20 CBGD CCOC(C)(C)C(=O)NNC(=O)C(=O)NC1CC1 864600208 FJRLVLLVIXBVJM-UHFFFAOYSA-N 257.290 -0.773 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CCCSC1 869904065 OVFYKWRUJIGJJH-SECBINFHSA-N 276.358 -0.060 50 20 CBGD CC[C@H](C(=O)NNC(=O)COCCOC)N(C)C 869908413 MQASYNILVUOTKS-SECBINFHSA-N 261.322 -0.863 50 20 CBGD O=C(NCCO[C@@H]1CCOC1)c1cc(B(O)O)ccc1F 885707448 MXNYZYAMCQEHQY-SNVBAGLBSA-N 297.091 -0.959 50 20 CBGD COC[C@@H](C)CC(=O)NNC(=O)CN1CCCC1=O 913731587 NSTVGSXYOCTOSB-VIFPVBQESA-N 271.317 -0.571 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(S(C)(=O)=O)CC1 1118218083 HCVXBBYILWBVBH-YUMQZZPRSA-N 290.341 -0.864 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)NCc2cn(C)nn2)cn1 1261526024 WOPOBUHUCVDOHD-XCVCLJGOSA-N 271.284 -0.228 50 20 CBGD C=CCNC(=S)NNC(=O)c1cnn2c1NCCC2 1263700446 XGPYJKKYINVUTR-UHFFFAOYSA-N 280.357 -0.006 50 20 CBGD COCc1cccc(CNC(=O)NNC(=O)C(=O)OC)c1 1319299979 OUXZATWAXWILDY-UHFFFAOYSA-N 295.295 -0.164 50 20 CBGD O=C(CO)NNC(=O)CSc1nc2ccccc2[nH]1 1320208478 IWTMANWVRDPCJL-UHFFFAOYSA-N 280.309 -0.205 50 20 CBGD O=C(CCl)NCCS(=O)(=O)NC[C@H]1CCCCO1 1320465234 FGGDGXFBMAPJCU-SECBINFHSA-N 298.792 -0.170 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)C1=CCOCC1 1323649999 XAZFOIBBVHJAEL-UHFFFAOYSA-N 293.279 -0.497 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCNC(=O)C1 1324108264 ZAPOBTHOZYIUDJ-HTQZYQBOSA-N 285.300 -0.998 50 20 CBGD CNC[C@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 1327086751 GTDCUEZEWKLYOA-SECBINFHSA-N 254.334 -0.915 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN([C@H]2CCOC2)CC1 1327866414 XCOVKGIJDNFBGG-NEPJUHHUSA-N 298.387 -0.661 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CCCc2nn[nH]c21 1328782813 YZZUWKGVSWNYOY-QMMMGPOBSA-N 289.299 -0.662 50 20 CBGD Cc1nn(CC(=O)N2CC=C(C#N)CC2)c(=O)n1C 1329056801 YSVRRJFBQHECFU-UHFFFAOYSA-N 261.285 -0.428 50 20 CBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cn[nH]c2)CCN1C 1329735953 QPFWWWYJEADBKW-PSASIEDQSA-N 280.332 -0.164 50 20 CBGD CN(NC(=O)c1ccc(=O)n(-c2ccccc2)n1)C(N)=O 1337072099 AXRSLQFZQLGRHA-UHFFFAOYSA-N 287.279 -0.112 50 20 CBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc(Cl)n1 1345228874 ILJQQLKQWOPBFY-UHFFFAOYSA-N 299.718 -0.618 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C1(C#N)CCCC1 1351662815 NHSGWKUXMPEVAW-UHFFFAOYSA-N 273.314 -0.738 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN[C@H]1C[C@H](N)C1(C)C 1575106908 XXBDTQXAAHYWJG-IUCAKERBSA-N 270.377 -0.105 50 20 CBGD COc1ccc(C(=O)NNC(=O)C[C@H](O)CN)cc1 1579193622 AONRMGSAABERCH-VIFPVBQESA-N 267.285 -0.834 50 20 CBGD C[C@H](O)CN(C)NC(=O)CCSCC(=O)O 1593456533 ISGQHNSTIRWTOM-ZETCQYMHSA-N 250.320 -0.462 50 20 CBGD CC[C@H](C(=O)O)C(=O)NNC(=O)Cc1cc(C)[nH]n1 1594756170 ZEOLJGRYPMLFJL-QMMMGPOBSA-N 268.273 -0.481 50 20 CBGD CO[C@H](CNC(=O)NNC(=O)C(=O)O)C1CCCCC1 1599050081 REIKJCDMIACELI-SECBINFHSA-N 287.316 -0.003 50 20 CBGD O=C(O)CCCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1601982377 WRBVEVGOKAVPLB-ZETCQYMHSA-N 271.273 -0.943 50 20 CBGD O=C(O)c1cccc(C(=O)NNC(=O)N2CCOCC2)n1 1602433258 LIABFTDWRGNVPS-UHFFFAOYSA-N 294.267 -0.534 50 20 CBGD CC(=O)[C@@H]1C[C@H](C(=O)NNC(=O)CN(C)C)C1(C)C 119959865 JTIJJNMURHVEOS-VHSXEESVSA-N 269.345 -0.053 50 20 CBGD O=C(CCOc1ccccc1)NNC(=O)Cn1cncn1 142600902 AOOYMEUSMSFHAK-UHFFFAOYSA-N 289.295 -0.105 50 20 CBGD Cc1ccccc1NC(=O)NNC(=O)Cn1cnnn1 176688183 MSXMQPPCNLQHDN-UHFFFAOYSA-N 275.272 -0.166 50 20 CBGD COC(=O)N(C)NC(=O)CNC(=O)c1cccc(O)c1 286385990 OKMFXBNKJDDHQD-UHFFFAOYSA-N 281.268 -0.149 50 20 CBGD Cc1[nH]nc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1[N+](=O)[O-] 293794614 CKTXXKXETVNIKN-FSPLSTOPSA-N 297.271 -0.045 50 20 CBGD CCN1CCC(NC(=O)c2ccc(B(O)O)cc2)CC1 584926044 XOMJYHMNHLVPFD-UHFFFAOYSA-N 276.145 -0.420 50 20 CBGD CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 584938394 DVIZUFSEFZTYLP-NXEZZACHSA-N 292.144 -0.601 50 20 CBGD CN1CCC(C)(NC(=O)c2ccc(B(O)O)cc2)CC1 584976597 RSQKIXMVDAUOIP-UHFFFAOYSA-N 276.145 -0.420 50 20 CBGD C[C@H](CNC(=O)c1cc(B(O)O)ccc1F)CN(C)C 584992905 SRKXTOCWDYNMEJ-SECBINFHSA-N 282.124 -0.567 50 20 CBGD CC(C)(C)NC(=O)CCNCc1cccc(B(O)O)c1 585023379 HACNNKPHHQTUSE-UHFFFAOYSA-N 278.161 -0.239 50 20 CBGD C[C@]1(CNCc2ccc(B(O)O)cc2F)CCC(=O)NC1 585047873 HJGOMNIXHSOJKT-CQSZACIVSA-N 294.135 -0.489 50 20 CBGD CN1CCN(S(=O)(=O)CCCCl)[C@H](CO)C1 699500892 PGTSODBNOYYFDE-VIFPVBQESA-N 270.782 -0.447 50 20 CBGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NNC(C)=O)CC1=O 733356982 YODABPDAUDLLAY-NWDGAFQWSA-N 296.371 -0.514 50 20 CBGD N#Cc1ccc([C@H](NNC(=O)c2cnccn2)C(N)=O)cc1 734506983 IKZNTNUSYXFCLK-LBPRGKRZSA-N 296.290 -0.191 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cncs1 734748422 MPVNWOGRPILTFV-ZETCQYMHSA-N 290.370 -0.079 50 20 CBGD COCC(=O)NNC(=O)Nc1ccn(CC(F)F)n1 756868246 QOBVBMOEFQFDOR-UHFFFAOYSA-N 277.231 -0.053 50 20 CBGD CCC(=O)NNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] 756929394 FDAQXDOYYOCYDL-UHFFFAOYSA-N 291.289 -0.469 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccccc1N(C)C 763515480 NQHQFCJQDRUTAI-UHFFFAOYSA-N 264.285 -0.142 50 20 CBGD CC[C@@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)N(C)C 770973014 XPCGHTILRKYRCU-QMMMGPOBSA-N 293.331 -0.148 50 20 CBGD CNC(=O)C(C)(C)CNC(=O)NNC(=O)C(C)C 773050850 VSVPIAXHFJEUFU-UHFFFAOYSA-N 258.322 -0.255 50 20 CBGD C#C[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)[C@@H]1CCCO1 773553819 ALHWMZSDNQCVTC-MNOVXSKESA-N 291.311 -0.455 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN(C)C(=O)[C@@H]1C 778259124 AXDJVEXPCWKGHP-MNOVXSKESA-N 298.387 -0.269 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@](O)(CC)C1 778390530 BSZCRLNADGOHDE-BXKDBHETSA-N 257.334 -0.221 50 20 CBGD O=C(Cn1cnc([N+](=O)[O-])n1)NNc1ncncc1Cl 781831500 IIEQDMRQCQKUMC-UHFFFAOYSA-N 298.650 -0.227 50 20 CBGD COc1cncc(C(=O)NNC(=O)c2ccc[nH]2)n1 790200073 YIFXPXRVTCCSJB-UHFFFAOYSA-N 261.241 -0.112 50 20 CBGD CCNC(=O)NNC(=O)C1(OCC)CCOCC1 794799795 UCNDTGZBFLVAMO-UHFFFAOYSA-N 259.306 -0.078 50 20 CBGD Cn1ncc(C=NNC(=O)N=c2cc[nH]cc2)c1N 815001600 QTTMGBMFSNZKCQ-UHFFFAOYSA-N 259.273 -0.025 50 20 CBGD NC(=O)c1ccccc1NCC(=O)NNc1nc[nH]n1 816633090 NBTQUJWYUMYCPF-UHFFFAOYSA-N 275.272 -0.541 50 20 CBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@H]1C[C@@H](O)C1 820520242 NHOMQZPRKWZVID-JGZJWPJOSA-N 288.307 -0.205 50 20 CBGD CNC(=O)NNC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 823425128 MOYYWPFWLPABAR-CYBMUJFWSA-N 276.296 -0.596 50 20 CBGD Cc1nc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)nn1C 831827628 QXCYSYSUTYGFIU-SVRRBLITSA-N 282.304 -0.299 50 20 CBGD CNC(=O)C1(C(=O)NNc2ccc(C(=O)O)cn2)CC1 833699241 JYPWSAASTUYMOT-UHFFFAOYSA-N 278.268 -0.251 50 20 CBGD CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843643546 IKNRGNDSCNYREO-ZMLRMANQSA-N 297.355 -0.040 50 20 CBGD COC(=O)CNC(=O)NN=C1CCCn2nccc21 853331138 JAQKPJAFNOOYCP-UHFFFAOYSA-N 265.273 -0.147 50 20 CBGD COC(=O)C1(C(=O)NNC(=O)c2cc[nH]n2)CC1 855356091 GUWNSZLJLFFELL-UHFFFAOYSA-N 252.230 -0.876 50 20 CBGD COCCN(CC(F)F)C(=O)NNC(=O)c1cn[nH]c1 858704759 QAOMJYFPLRMWRG-UHFFFAOYSA-N 291.258 -0.022 50 20 CBGD CCO[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)C1CC1 858935078 DNYDKWBTQOFLHO-SNVBAGLBSA-N 283.328 -0.429 50 20 CBGD COc1nccnc1NNC(=O)[C@H](C)[C@H]1CCC(=O)N1 862004091 QHWWSWSUYJIWQE-HTQZYQBOSA-N 279.300 -0.157 50 20 CBGD CO[C@H](C(=O)NNC(=O)c1cn[nH]c1)c1cnn(C)c1 862470504 QGDTYFRBHJNRQT-VIFPVBQESA-N 278.272 -0.708 50 20 CBGD Cc1cc(=NNC(=O)[C@@H](C)N2C(=O)CCC2=O)cc[nH]1 862510020 ZRSIVQLKVABPGM-SECBINFHSA-N 276.296 -0.207 50 20 CBGD Cc1cc(=NNC(=O)C2(S(N)(=O)=O)CC2)cc[nH]1 862514317 XKXGCBMXFBRVOV-UHFFFAOYSA-N 270.314 -0.924 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@H](C)COC 869908438 NHFMMIYIFNDTCF-VIFPVBQESA-N 262.306 -0.531 50 20 CBGD COC(=O)N(C)NC(=O)NCCCC(=O)NC1CC1 875095597 KEUJAFWXDUIWJC-UHFFFAOYSA-N 272.305 -0.042 50 20 CBGD COCC1(S(=O)(=O)NNC(=O)[C@@H]2CCCCO2)CC1 882729777 LYBBEVOOJHRKST-VIFPVBQESA-N 292.357 -0.315 50 20 CBGD CCN1CCC[C@H](NCc2cccc(B(O)O)c2)C1=O 896729468 PKNXMWHKDFLBGA-ZDUSSCGKSA-N 276.145 -0.533 50 20 CBGD CCNC(=O)N(C)NC(=O)CNC(=O)N1CCCC1 907253609 XAWGHDBKMAYSMS-UHFFFAOYSA-N 271.321 -0.516 50 20 CBGD C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(C)(C)O 907626816 OBWYLRKMASBMTK-IUCAKERBSA-N 256.302 -0.114 50 20 CBGD NC(=O)CCC(=O)NNC(=S)NCC1CCC1 912108163 QQTNCKTXOOGTLS-UHFFFAOYSA-N 258.347 -0.453 50 20 CBGD O=C(C[C@@]1(O)CCCNC1)NNc1ncccn1 912381704 NAAMNWDMGYHOOM-NSHDSACASA-N 251.290 -0.576 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NNC(=O)c1cn[nH]c1 920428149 ATGHVQXPXBRZEN-VIFPVBQESA-N 281.316 -0.861 50 20 CBGD O=C(NCCO[C@@H]1CCOC1)NNc1ncccn1 927514549 LKCUWCJJUAHMEF-SECBINFHSA-N 267.289 -0.092 50 20 CBGD C[C@@H](Sc1nncn1C)C(=O)NN(C)[C@H](C)CO 1119103860 FTAMUGFGWMPRTM-HTQZYQBOSA-N 273.362 -0.361 50 20 CBGD Cc1ncncc1C(=O)NNC(=O)C1CCOCC1 1119344239 IEACDASKNOSFIR-UHFFFAOYSA-N 264.285 -0.027 50 20 CBGD CNC(=O)NNC(=O)c1ccnn1CCN(C)C 1119594438 VDQALTIFCNBHAD-UHFFFAOYSA-N 254.294 -0.982 50 20 CBGD Cc1nn(C)cc1C(=O)NNC(=O)CN1CCCC1=O 1262186301 VWGKCMGZIBYKAF-UHFFFAOYSA-N 279.300 -0.888 50 20 CBGD COCCCNC(=O)NNC(=O)c1cn2cccnc2n1 1318090086 PJBWMHSAICFVLB-UHFFFAOYSA-N 292.299 -0.290 50 20 CBGD NC(=O)[C@@H]1CC[C@@H](CNC(=O)NNC(=O)C2CCC2)O1 1319109026 HAJOWDJBSDVILU-IUCAKERBSA-N 284.316 -0.850 50 20 CBGD CC(C)NC(=O)C(=O)N1CCN(C(=O)CCl)CC1 1320466609 KSOZWFZRWRMDKV-UHFFFAOYSA-N 275.736 -0.579 50 20 CBGD COCc1ccc(NC(=O)C(=O)NNC(C)=O)cc1 1320848447 MPNVBLGSOIOBSZ-UHFFFAOYSA-N 265.269 -0.061 50 20 CBGD COC(=O)N(C)NC(=O)Cn1cc([C@@H](C)O)nn1 1322068918 JTKGBGBJTJMBCE-ZCFIWIBFSA-N 257.250 -0.939 50 20 CBGD C[S@](=O)CCNC(=O)NNC(=O)c1ccccc1O 1322210331 LVWPHCQRIACVMP-IBGZPJMESA-N 285.325 -0.285 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CC1 1323496757 JXMUJVXQJYMCPS-CBAPKCEASA-N 274.342 -0.385 50 20 CBGD COc1coc(C(=O)NNC(=O)N(C)C)cc1=O 1326997597 PZDKVKPWXJDDSO-UHFFFAOYSA-N 255.230 -0.436 50 20 CBGD CCOC1(C(=O)NNC(=O)N(C)C)CCOCC1 1327779933 PKJMUUYJPGREMU-UHFFFAOYSA-N 259.306 -0.126 50 20 CBGD CCNC(=O)CNC(=O)/C(C#N)=C\c1cnn(C)c1 1328463805 BUADUWYIDJNWLM-WMZJFQQLSA-N 261.285 -0.421 50 20 CBGD COc1ccc(CC(=O)N2CC[C@@H](B(O)O)C2)nc1 1329673429 XVEVAYBQDQJMSU-SECBINFHSA-N 264.090 -0.292 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(Cl)nc1N 1333778030 LDONUCWQHCETBU-UHFFFAOYSA-N 299.718 -0.397 50 20 CBGD COc1cc(C(=O)NNC(=O)Cc2cc[nH]n2)ccn1 1342375014 PQCYXHCOZIJHBX-UHFFFAOYSA-N 275.268 -0.183 50 20 CBGD C[C@@]1(C(=O)NNC(=O)Cc2ccsc2)C[C@H](O)CN1 1576351093 WBMUFZMJNYPOPW-CABZTGNLSA-N 283.353 -0.449 50 20 CBGD CCOC(=O)NNC(=O)[C@H](N)Cc1ccccn1 1578007375 RODCEPFWVNOHDX-SECBINFHSA-N 252.274 -0.271 50 20 CBGD Cc1cc(NNC(=O)[C@@H](C(=O)O)C2CC2)nc(N)n1 1605213331 DDPABLVQJMZQPH-QMMMGPOBSA-N 265.273 -0.079 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1)c1cc[nH]n1 1608478981 DWVRLIWZQOLMMI-NKWVEPMBSA-N 266.257 -0.328 50 20 CBGD CNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 48644555 XFWRIUVLPRCSGY-UHFFFAOYSA-N 261.245 -0.764 50 20 CBGD Cc1n[nH]c(C(=O)NNC(=O)[C@H]2COCCO2)c1C 267041466 PBTIJROQZABXFO-MRVPVSSYSA-N 268.273 -0.797 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 275073635 XCENANKZEJCDAH-UHFFFAOYSA-N 280.280 -0.010 50 20 CBGD CN1CCN(C(=O)NNC(=O)C(C)(C)C#N)CC1 278732328 VIGCKXGDANLYRC-UHFFFAOYSA-N 253.306 -0.476 50 20 CBGD O=C(NNc1ncncc1F)N[C@H]1CCCCNC1=O 291961911 RRBUJXVKKVENHO-QMMMGPOBSA-N 282.279 -0.090 50 20 CBGD CN1CCO[C@H](C(=O)NNc2ncncc2F)C1 294233147 ZKFVICBWZLDLFM-QMMMGPOBSA-N 255.253 -0.611 50 20 CBGD O=C(NCC1(O)CCCC1)c1cccc(B(O)O)c1 584946368 RSXVDQHXZPNUQI-UHFFFAOYSA-N 263.102 -0.599 50 20 CBGD CO[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584968443 BABJLFWWGLSIPL-LBPRGKRZSA-N 263.102 -0.383 50 20 CBGD O=C(CCNCc1ccc(B(O)O)o1)N1CCCCCC1 585032891 PQLFTCNTPRGJNK-UHFFFAOYSA-N 294.160 -0.158 50 20 CBGD Cc1nccc([C@H](C)NCc2ccc(B(O)O)o2)n1 585043238 KRUSKDYOGQULOG-QMMMGPOBSA-N 261.090 -0.091 50 20 CBGD CN(CCCCNCc1ccc(B(O)O)o1)C1CC1 585044253 CPSNDHFEUJUVPI-UHFFFAOYSA-N 266.150 -0.077 50 20 CBGD CCn1ncc(CNCc2ccc(B(O)O)cc2F)n1 585049231 MAHZSCADSPWMSS-UHFFFAOYSA-N 278.096 -0.593 50 20 CBGD CC(C)[C@H](NCC(F)(F)F)C(=O)NCB(O)O 585062293 FUXLWSLXVCRROX-LURJTMIESA-N 256.033 -0.709 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 725867979 CHWBNHJGEAJTDI-LURJTMIESA-N 295.255 -0.587 50 20 CBGD Cc1sc(=O)n(CC(=O)NNC(=O)CN(C)C)c1C 733359379 OAKRSKZEAVVQFM-UHFFFAOYSA-N 286.357 -0.764 50 20 CBGD CCOCC(=O)NNC(=O)NCCOc1cccnc1 734071473 LHWBHJCKMPDDSU-UHFFFAOYSA-N 282.300 -0.173 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)NCCn1cccn1 734279297 AYSLHQUCANJFSO-UHFFFAOYSA-N 288.311 -0.149 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCO2 764300211 UFKYGNAYJYOIRM-UHFFFAOYSA-N 293.279 -0.646 50 20 CBGD CCC(=O)NNS(=O)(=O)c1cnc(Cl)n1C 765025988 ORVDOCZWAXNHMC-UHFFFAOYSA-N 266.710 -0.207 50 20 CBGD CNC(=O)NNC(=O)C1=NN(CC(C)C)C(=O)CC1 766640261 LYDMEXMKAXQXHP-UHFFFAOYSA-N 269.305 -0.419 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cnc(OC)nc1 772134157 DHOWSHGRUGHURE-ZETCQYMHSA-N 296.283 -0.412 50 20 CBGD COc1ccc(C=NNC(=O)C(=O)NC2CC2)cn1 780199312 JWDCVZFAZUYPMO-UHFFFAOYSA-N 262.269 -0.181 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cnccn2)CC1 788165759 GUJLARHLVCKAJB-UHFFFAOYSA-N 264.289 -0.922 50 20 CBGD Cn1nc([C@H]2CCCOC2)cc1NC(=O)NNC(=O)CO 790551627 ORTUEDMNYMZHGW-QMMMGPOBSA-N 297.315 -0.541 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cnnn2C)n1 798833598 MREVIMWJFJHSCN-UHFFFAOYSA-N 277.288 -0.910 50 20 CBGD COC(=O)c1ccc(NC(=O)NNC(C)=O)nn1 799233263 HXIRVVRWXNQFDQ-UHFFFAOYSA-N 253.218 -0.564 50 20 CBGD CCN(CCO)NC(=O)c1cccc(C(N)=O)c1 823846081 AVRZLWADQWGQEM-UHFFFAOYSA-N 251.286 -0.256 50 20 CBGD C[C@H]1CC(=NNC(=O)NCC(=O)O)CN1C1CC1 833586574 GOBMNVCYDDMEQR-ZETCQYMHSA-N 254.290 -0.017 50 20 CBGD CCCN1C[C@H](C(=O)NNC(=O)C2CC2)CC1=O 839461493 XSKJXOXFXWOGHD-SECBINFHSA-N 253.302 -0.198 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cn1ccc([N+](=O)[O-])n1 843643385 IBNYCSBZQVMQQH-YUMQZZPRSA-N 297.271 -0.636 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CN(C)C(=O)C1CC1 843974316 CAOBVACLYCJBGG-PSASIEDQSA-N 283.328 -0.573 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)NC1CC2(CCC2)C1 845722176 BOKQGEFUGUPHLZ-UHFFFAOYSA-N 280.328 -0.072 50 20 CBGD C[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)N1CCOCC1 847403307 UQZUNPVZWSNGAJ-VIFPVBQESA-N 281.316 -0.339 50 20 CBGD COc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)o1 848375291 OJOKVDXZHQRGCI-UHFFFAOYSA-N 282.300 -0.110 50 20 CBGD O=C(NNC(=O)N1C[C@H]2C[C@H]1C(=O)O2)c1cccc(F)n1 852710882 XOIIFXOOHPUINI-SVRRBLITSA-N 294.242 -0.425 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)Oc1ccccn1 857432450 BDQKFJUFZRTCBP-VIFPVBQESA-N 294.311 -0.479 50 20 CBGD CCCNC(=O)NNC(=O)[C@H](CCSC)NC(N)=O 858809624 ZBGOCPGZLDANNW-ZETCQYMHSA-N 291.377 -0.483 50 20 CBGD CCOC(=O)CN(C(=O)c1ccc(B(O)O)cc1)C(C)C 863880434 ZQNNJFDFPATKJG-UHFFFAOYSA-N 293.128 -0.220 50 20 CBGD Cn1cc(C[C@H](CO)NS(=O)(=O)CCl)cn1 867418017 BSTZRAFOQVORLU-MRVPVSSYSA-N 267.738 -0.561 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@H]2CCCCO2)n[nH]1 869016062 ZWCIPOBOWLIMKR-JTQLQIEISA-N 266.301 -0.023 50 20 CBGD Cc1cc(NC(=O)NNC(=O)CN(C)C)nc(C)n1 880303886 SEURRENWWJBIMO-UHFFFAOYSA-N 266.305 -0.192 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H]1CCOC(=O)N1 887150788 XHGAHPRIGBTNEU-QMMMGPOBSA-N 253.258 -0.564 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1COCCN1CC(F)F 910160861 OZCFEWUJNFZANG-DTWKUNHWSA-N 281.303 -0.704 50 20 CBGD COc1cc(C=NNC(=O)C(N)=O)cc2c1OCO2 916272468 WWOPNIUIVSTYEE-UHFFFAOYSA-N 265.225 -0.641 50 20 CBGD O=C(NNC(=O)C1CCS(=O)(=O)CC1)c1ccccn1 1251807678 KHHVVIXHUONZAO-UHFFFAOYSA-N 297.336 -0.333 50 20 CBGD Cc1cnn(CC(=O)NNc2nccn(C)c2=O)c1 1252518870 OUBWALYDKJNBNE-UHFFFAOYSA-N 262.273 -0.571 50 20 CBGD O=C(c1nccn2ccnc12)N1CC[C@@H](B(O)O)C1 1261843724 PMGCGFKISDXZHB-MRVPVSSYSA-N 260.062 -0.582 50 20 CBGD CCOC(=O)/C(C#N)=C\N[C@@H](C)c1nnnn1C 1262669109 NFYBBJBLINPFOG-VQKCLUMFSA-N 250.262 -0.169 50 20 CBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1=CCCC1 1319204287 PUEOVVXUIDNIJD-SECBINFHSA-N 272.326 -0.321 50 20 CBGD COCCCOCC(=O)NNc1nccn(C)c1=O 1319838954 VVGSQIMCIWLPDQ-UHFFFAOYSA-N 270.289 -0.724 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(O)CCOCC1 1321331783 YQQWXGGSLWQJBT-MRVPVSSYSA-N 288.300 -0.983 50 20 CBGD C[C@H](NC(=O)NNC(=O)c1cnn(C)c1)[C@@H]1CCOC1 1322565932 VRCVASIJKNZITK-DTWKUNHWSA-N 281.316 -0.211 50 20 CBGD O=C(NNC(=O)N1CCO[C@H](CF)C1)c1cn[nH]c1 1328731136 HRWZQDRQDUMWLW-MRVPVSSYSA-N 271.252 -0.566 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCc2nncn2C1 1330878709 GJOKIJGMUMZENN-IUCAKERBSA-N 253.306 -0.816 50 20 CBGD NS(=O)(=O)CCCCCC(=O)NNC(=O)CC1CC1 1332630379 HLIASZOJJYKKDL-UHFFFAOYSA-N 291.373 -0.217 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2C=CCCC2)N1 1334906761 LQOSPXSWNGHPQH-RKDXNWHRSA-N 266.301 -0.296 50 20 CBGD CC1(C)C[C@H](C(=O)NNC(=O)CN2CCCC2=O)CCO1 1336064006 METOUWMWBYXOHX-SNVBAGLBSA-N 297.355 -0.039 50 20 CBGD O=C(NNC(=O)c1ccnc(C2CC2)c1)C(=O)NC1CC1 1337611352 CCWDYMPVXRFOOI-UHFFFAOYSA-N 288.307 -0.001 50 20 CBGD COC(=O)N(C)NC(=O)N[C@H](C)[C@@H]1CN(C)CCN1C 1346767418 PYSRQCSIRUTRBI-ZJUUUORDSA-N 287.364 -0.467 50 20 CBGD Cn1ccnc1CCC(=O)NNC(=O)NC1CC1 1527500921 YNBZFGJUKLOGKL-UHFFFAOYSA-N 251.290 -0.155 50 20 CBGD Cn1ncc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)n1 1549320230 LDJLMPCENHHKAX-WDEREUQCSA-N 278.316 -0.872 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)[C@@H]1CCN1 1580736592 YTIWNMFQUZCKLH-KDXUFGMBSA-N 251.286 -0.889 50 20 CBGD CCCNC(=O)NNC(=O)[C@]1(C(=O)O)CCCO1 1589677638 XUQXIKCLYFFLQK-JTQLQIEISA-N 259.262 -0.639 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H](C(=O)O)C1CCCC1 1593692050 NRCDYPONQNMMHJ-JTQLQIEISA-N 271.317 -0.414 50 20 CBGD COc1cccc(OC)c1CNC(=O)NNC(=O)C(=O)O 1599680723 HWGDEBRABRKSBR-UHFFFAOYSA-N 297.267 -0.381 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@]1(C(=O)O)C[C@H]1C 1603479473 BUIMIHNUMRUPLX-ZWADGADFSA-N 270.285 -0.330 50 20 CBGD CN1CC[C@H](C(=O)NNc2ccc(C(=O)O)cn2)C1=O 1610130111 XRHPZKFDZHAHPW-MRVPVSSYSA-N 278.268 -0.299 50 20 CBGD CCn1cnnc1CNC(=O)NNc1ncccn1 46965245 ZYAROCHZFCKZQO-UHFFFAOYSA-N 262.277 -0.086 50 20 CBGD COc1ccnc(NNC(=O)c2ccc[nH]c2=O)n1 47493434 BVKLOQXFTXSMBP-UHFFFAOYSA-N 261.241 -0.070 50 20 CBGD C[C@H](O)CN(C)CC(=O)NNC(=O)c1ccc(F)cc1 159443123 SCXNADABYPZOEW-VIFPVBQESA-N 283.303 -0.101 50 20 CBGD O=C(CO)NNC(=O)c1cnc(-c2ccccc2)nc1 180947711 PUIULOUVELPYQT-UHFFFAOYSA-N 272.264 -0.103 50 20 CBGD COC(=O)NNS(=O)(=O)c1ccc(C(=O)OC)o1 264486322 ZWXAPGAGFJQAJU-UHFFFAOYSA-N 278.242 -0.385 50 20 CBGD CCCNC(=O)CCC(=O)NNC(=O)N1CCOCC1 264657546 IDNRIPIEXFHPOM-UHFFFAOYSA-N 286.332 -0.634 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2CC[C@H](C(N)=O)O2)n1 279716017 BFKSMBHEJXXELV-HTQZYQBOSA-N 295.299 -0.730 50 20 CBGD COC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)C(C)(C)O 286809453 PMLOUIWZRCGHTC-NKWVEPMBSA-N 258.274 -0.896 50 20 CBGD COC(=O)COCC(=O)NNc1nc2ccccn2n1 288158874 OJHKVYCJCDAOMO-UHFFFAOYSA-N 279.256 -0.638 50 20 CBGD COC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(C)n[nH]2)O1 290551444 QDANSWIXIWKNSL-DTWKUNHWSA-N 296.283 -0.800 50 20 CBGD CCN1CCO[C@@H](C(=O)NNC(=O)c2ccncc2)C1 363134245 FCPWTHBISUJKSR-LLVKDONJSA-N 278.312 -0.437 50 20 CBGD C[C@H](C[S@](C)=O)N(C)Cc1ccccc1B(O)O 399911229 ATROJABJMNYXSC-MGNBDDOMSA-N 269.175 -0.435 50 20 CBGD COC(=O)NNC(=O)[C@H]1CCc2cnn(C)c2C1 496194702 IOQUZMJKXDQTHV-ZETCQYMHSA-N 252.274 -0.088 50 20 CBGD CO[C@@H](C(=O)Nc1cccc(B(O)O)c1)[C@@H]1CCOC1 584913041 ZAUQVYQPUWCMMO-BXKDBHETSA-N 279.101 -0.644 50 20 CBGD CCN1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584922867 ACQHUONSXVCWNX-UHFFFAOYSA-N 262.118 -0.856 50 20 CBGD C[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)NC(C)(C)C 584933497 HWMGACMYCPNLKY-VIFPVBQESA-N 292.144 -0.601 50 20 CBGD O=C(NCC(=O)N1CCCCC1)c1cccc(B(O)O)c1 584944267 QPQUBTRJSCWUBY-UHFFFAOYSA-N 290.128 -0.891 50 20 CBGD C[C@@H]1CC[C@H](CO)CN1C(=O)c1ccc(B(O)O)cc1 584968427 XEZHREHLRNPEMC-MNOVXSKESA-N 277.129 -0.401 50 20 CBGD C[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)[C@H]1CO 584970026 KUAHKKHUERADJA-GWCFXTLKSA-N 277.129 -0.401 50 20 CBGD O=C(NCCCCn1ccnn1)c1ccc(B(O)O)cc1 584973105 LTCZRQIPYBSWHQ-UHFFFAOYSA-N 288.116 -0.832 50 20 CBGD CN(C)C1(CNC(=O)c2cc(B(O)O)ccc2F)CCC1 584979261 OWPNBGKPVJXKHV-UHFFFAOYSA-N 294.135 -0.280 50 20 CBGD CO[C@H]1CC[C@@H](NC(=O)c2cccc(B(O)O)c2)C1 584980222 UCGSWPMKWRPSBR-NEPJUHHUSA-N 263.102 -0.336 50 20 CBGD C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(B(O)O)cc1 584996954 AQPAPFRVINHIBC-NEPJUHHUSA-N 261.086 -0.560 50 20 CBGD Cc1nc2n(n1)C[C@H](NCc1cccc(B(O)O)c1)CC2 585019887 JDCPVPKWBVMEHF-CYBMUJFWSA-N 286.144 -0.629 50 20 CBGD Cc1c(CCNCc2cccc(B(O)O)c2)cnn1C 585027969 CBURCXABWNNALG-UHFFFAOYSA-N 273.145 -0.259 50 20 CBGD CC(C)N1C[C@H](NCc2ccccc2B(O)O)CC1=O 585029819 VMRGNRKADXHOGR-GFCCVEGCSA-N 276.145 -0.535 50 20 CBGD CCN1C[C@H](CNCc2ccc(B(O)O)cc2)CC1=O 585046466 VQROPLVVXAIASO-LBPRGKRZSA-N 276.145 -0.676 50 20 CBGD Cn1cnc(CCNCc2ccc(B(O)O)cc2F)c1 585047002 YMJFSOXRBGANRD-UHFFFAOYSA-N 277.108 -0.429 50 20 CBGD COc1ccnc(NNC(=O)[C@H]2CCN(C)C2)n1 729283698 ODLAUOKUIRJBMI-QMMMGPOBSA-N 251.290 -0.120 50 20 CBGD CC(=O)NNC(=O)Cc1c(C)nc2cc(O)nn2c1C 729509774 GLXRWRXUDWLMDW-UHFFFAOYSA-N 277.284 -0.238 50 20 CBGD CC(=O)NNC(=O)c1ccc(S(N)(=O)=O)c(C)c1 730841783 MSSLIGAXCWPZDG-UHFFFAOYSA-N 271.298 -0.577 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NNC1=N[C@H]2C=C[C@H]1C2 739414428 ZBBIGCIWXVDETD-WOPDTQHZSA-N 278.356 -0.068 50 20 CBGD C[C@]1(C(=O)NNC(=O)Cc2cc[nH]n2)CCCOC1 755260960 HEONUBCCNWIWKF-LBPRGKRZSA-N 266.301 -0.084 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(F)nc1 755289901 YAHGKJCCVFNUSU-UHFFFAOYSA-N 263.232 -0.053 50 20 CBGD Cc1cc(OCC(=O)NNC(=O)C(C)(C)O)no1 756795734 BVALNXHMKMGCQA-UHFFFAOYSA-N 257.246 -0.720 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCC(C)(C)C 758042968 CFTUUGYTKDBHHZ-QMMMGPOBSA-N 293.389 -0.102 50 20 CBGD Cn1ccnc(NNC(=O)C2=CCCCO2)c1=O 768203787 OWXPNSZEAUFSKG-UHFFFAOYSA-N 250.258 -0.082 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCCC(=O)OC 772321281 PKKYXKNCUBZXNH-QMMMGPOBSA-N 288.300 -0.181 50 20 CBGD CC[C@@H]1CN([C@H](CC)C(=O)NNC(=O)NC)CCO1 773851103 ZTHXCCFJEXOYRL-NXEZZACHSA-N 272.349 -0.164 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)c2cnn(C)n2)cc1 785689130 KLTRCQAYDAIFBO-UHFFFAOYSA-N 289.295 -0.036 50 20 CBGD O=C(NC[C@H]1COCCO1)NNc1nc2ccccn2n1 790237357 ZIFZAQUJNMBDKN-VIFPVBQESA-N 292.299 -0.229 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@](F)(CO)C1 802011252 NLNRHGYAGPADKC-GFCCVEGCSA-N 275.324 -0.414 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](C)N(C)[C@H](C)C1 815180846 WYONNTLMIKAPJT-AXFHLTTASA-N 270.377 -0.043 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CC(=O)N(C)C1 818386701 CYQNHVBLHBNCFG-XHNCKOQMSA-N 269.301 -0.963 50 20 CBGD C#C[C@@H](C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 820440522 LEIGAXQIRDAXAB-PSASIEDQSA-N 259.331 -0.611 50 20 CBGD C[C@@H](O)CN(C)NC(=O)/C=C1/SCC(=O)N1C 823718872 SCDBICNTDQOAGN-JTACMZLOSA-N 259.331 -0.623 50 20 CBGD O=C(NNC(=O)[C@H]1CCCc2nn[nH]c21)NC1CC1 823767837 JORLEFBQOJBIHI-ZETCQYMHSA-N 264.289 -0.283 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1nc2ncccn2n1 823912775 LCBBHHONSJRBAX-SSDOTTSWSA-N 250.262 -0.918 50 20 CBGD CN(NC(=O)Nc1cccc(-c2nn[nH]n2)c1)C(N)=O 826004341 SVIJVCQYAXJZBU-UHFFFAOYSA-N 276.260 -0.086 50 20 CBGD CCN(C)S(=O)(=O)NNC(=O)[C@H]1CCO[C@H]1C 842593531 VTCQXCPXYUUARY-YUMQZZPRSA-N 265.335 -0.771 50 20 CBGD COC(=O)CCCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843653852 DPMKPOPVTKUERN-DTWKUNHWSA-N 272.301 -0.098 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843979614 PLCFKGTTWPETOA-JGVFFNPUSA-N 257.290 -0.915 50 20 CBGD COC/C(C)=C\C(=O)NNC(=O)Cc1cc[nH]n1 845446845 GFJPEQUEOVOFKQ-YVMONPNESA-N 252.274 -0.308 50 20 CBGD CCONC(=O)CNC(=O)NNc1ccc(Cl)nn1 845553137 PTFLOLLTSIAIEJ-UHFFFAOYSA-N 288.695 -0.176 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)Cc1cccnc1)C(=O)O 848585497 MNPNHFLOAQALEF-QMMMGPOBSA-N 280.284 -0.325 50 20 CBGD CN1CCN(C(=O)NNC(=O)C2(O)CCCCC2)CC1 854379021 LOTIMDCUAJREQF-UHFFFAOYSA-N 284.360 -0.330 50 20 CBGD COCCN(C)NC(=O)c1cccc(-n2cncn2)n1 854409955 PHVKEQWAPGVZLB-UHFFFAOYSA-N 276.300 -0.115 50 20 CBGD Cn1nccc1COCC(=O)NNc1ccncn1 857522137 WUDCTIZRROAXJW-UHFFFAOYSA-N 262.273 -0.130 50 20 CBGD C#C[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)[C@@H]1CCCO1 858369843 KDXXZFMARLWVJU-ZJUUUORDSA-N 277.284 -0.466 50 20 CBGD C[C@H](NNC(=O)CN1CC(=O)N(C)C1=O)C(F)(F)F 862324374 KWVGQAYJYVSAER-YFKPBYRVSA-N 282.222 -0.548 50 20 CBGD COc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccc1F 862457270 FMFJDEAIOWJWFD-VIFPVBQESA-N 295.270 -0.126 50 20 CBGD C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)CN(C)C)[C@H]1C 863864985 DSLRPSXYHDVDHJ-CKEKPRIKSA-N 257.334 -0.245 50 20 CBGD Cc1ccn(C[C@H](C)C(=O)N2CC[C@H](B(O)O)C2)n1 864231432 MUAPEQHWXZXZKC-ONGXEEELSA-N 265.122 -0.097 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21 869907308 IMHSRSJGVYSIRP-FBIMIBRVSA-N 272.301 -0.778 50 20 CBGD CC[C@@]1(O)CCCN(C(=O)c2cccc(B(O)O)c2)C1 870678306 QNEPFQCLAXOAEU-CQSZACIVSA-N 277.129 -0.257 50 20 CBGD COCCN(C)NC(=O)Nc1nccn(C)c1=O 879110644 BOWVOBTVXXAOMB-UHFFFAOYSA-N 255.278 -0.605 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1cncc(N(C)C)c1 880362796 WOCMIJYNBVOUFJ-UHFFFAOYSA-N 280.332 -0.138 50 20 CBGD CN(C)C(=O)CCNC(=O)NNC(=O)C1CCCC1 916623884 ACFAAKULZHRUTE-UHFFFAOYSA-N 270.333 -0.015 50 20 CBGD CCc1c(C(=O)NNc2nccn(C)c2=O)cnn1C 1116200345 NTHVFLLPQVFXHS-UHFFFAOYSA-N 276.300 -0.167 50 20 CBGD O=C(NNC(=S)NC1CC1)C(=O)Nc1ccccn1 1116256128 YLCKDDVDYWUXPB-UHFFFAOYSA-N 279.325 -0.322 50 20 CBGD C[C@H](CO)CCCNC(=O)NNC(=O)C(=O)NC1CC1 1116396270 SKIIPOZCJTVXSW-QMMMGPOBSA-N 286.332 -0.996 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CSc1cccc[n+]1[O-] 1116728301 NJXCKZKPYXKFHI-UHFFFAOYSA-N 285.325 -0.670 50 20 CBGD COC(=O)Cc1occc1C(=O)NNc1nc[nH]n1 1117722415 VTRIHJOUNRSWRS-UHFFFAOYSA-N 265.229 -0.130 50 20 CBGD Cn1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)cn1 1251467804 IBIIZERCXALFLH-UHFFFAOYSA-N 291.267 -0.796 50 20 CBGD Cc1noc(CCC(=O)NNC(=O)c2cnn(C)c2)n1 1251910840 IYEXYOAEGNQVIU-UHFFFAOYSA-N 278.272 -0.495 50 20 CBGD Cn1cc(C(=O)NNC(=O)CSCC#N)cn1 1251915106 QYWOCZAQOLXTBI-UHFFFAOYSA-N 253.287 -0.562 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCNC(=O)C1 1261497947 PMLXEVHXURNZDK-CIUDSAMLSA-N 269.301 -0.915 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnccn1 1320368226 XAJHGUNZHUOWFF-SSDOTTSWSA-N 266.257 -0.421 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CC[C@H](C)C1 1321079572 IPAPYOBQZJWOEQ-JGVFFNPUSA-N 257.290 -0.074 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@@H](O)c1cccnc1 1321848469 FVNBUOYNQBNEKX-ZDUSSCGKSA-N 286.291 -0.100 50 20 CBGD C[C@@H](Cn1ccnc1)NC(=O)NNC(=O)c1cnn(C)c1 1321909504 UWVNATKIVSSWSK-VIFPVBQESA-N 291.315 -0.351 50 20 CBGD CN(NC(=O)c1ccc(S(N)(=O)=O)s1)C(N)=O 1323533584 DRNCJSMWJDSEJS-UHFFFAOYSA-N 278.315 -0.949 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCn2cnnc2C1 1324184358 RJTPCAFDFUVLQG-QMMMGPOBSA-N 266.305 -0.960 50 20 CBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)NCC(F)(F)F 1329065476 ABFQVRAKXVBAED-UHNVWZDZSA-N 282.222 -0.609 50 20 CBGD NC(=O)C(=O)NNC(=O)c1ccc(Cl)cc1F 1329790895 MNDOLGLJCPGPGB-UHFFFAOYSA-N 259.624 -0.275 50 20 CBGD CCN(CCO)NC(=O)CCCN1C(=O)CN(C)C1=O 1329807444 SIASFXNKOIIPLM-UHFFFAOYSA-N 286.332 -0.994 50 20 CBGD CO[C@H](C=NNC(=O)CS(C)(=O)=O)[C@H]1CCOC1 1331723528 UUQNRUWAQGRPKE-DTWKUNHWSA-N 278.330 -0.816 50 20 CBGD C/C(Cl)=C/C(=O)NNC(=O)CS(C)(=O)=O 1332261786 JJXDLDAOQSCYQT-HYXAFXHYSA-N 254.695 -0.679 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(C#N)CCOCC1 1332471044 UAKQJYYZISVIEY-VHSXEESVSA-N 281.312 -0.121 50 20 CBGD C=C[C@@](C)(O)C(=O)NNc1nc(O)c2cnn(C)c2n1 1334631337 FFLDMRHEFHDLJW-LLVKDONJSA-N 278.272 -0.551 50 20 CBGD C[C@H](NNC(=O)c1nccnc1C(N)=O)C(F)(F)F 1335314872 VEAPVNRKXLXJNT-BYPYZUCNSA-N 277.206 -0.239 50 20 CBGD CN(NC(=O)c1cccc(N2CCNC2=O)c1)C(N)=O 1337364236 CUIHNZAJOWQKRA-UHFFFAOYSA-N 277.284 -0.129 50 20 CBGD CC[C@H]1C[C@H](C(=O)NNC(=O)C(=O)NC2CC2)CCO1 1337452732 SIRQFLLXMXHRQA-SCZZXKLOSA-N 283.328 -0.382 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC2CC=CC2)N1 1352360456 MMBORMALVVQSEJ-MRVPVSSYSA-N 252.274 -0.686 50 20 CBGD CN1CCC[C@@H](NC(=O)NNC(=O)c2ncccn2)C1=O 1352361283 VWSRZQWWCBTHGO-MRVPVSSYSA-N 292.299 -0.959 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNC(=O)NC1CC1 1353548730 DFPAVPSWHJNGDO-VIFPVBQESA-N 256.306 -0.800 50 20 CBGD CCCC[C@H](N)C(=O)NNC(=O)COCCOC 1577410732 ZDBDGLKVNFJTLY-VIFPVBQESA-N 261.322 -0.686 50 20 CBGD CN(C)N(C(=O)CCC(=O)O)[C@H]1CCS(=O)(=O)C1 1593703551 DBRNGAMWZWGVIL-QMMMGPOBSA-N 278.330 -0.657 50 20 CBGD C[C@@H]1CCCN(CCNC(=O)NNC(=O)C(=O)O)C1 1594383733 KRCVSUJLDLZJFP-MRVPVSSYSA-N 272.305 -0.867 50 20 CBGD CCN(CC)CCCNC(=O)NNC(=O)C(=O)O 1596265289 MHGZAJNBGSBJCB-UHFFFAOYSA-N 260.294 -0.867 50 20 CBGD O=C(O)COCCNC(=O)NNc1cccnn1 1602079645 AKXWUTJIFMENID-UHFFFAOYSA-N 255.234 -0.796 50 20 CBGD O=C(NC1(C(=O)O)CCCCC1)c1ccc(B(O)O)cc1 1605736150 SWIIYXSPMKZDLJ-UHFFFAOYSA-N 291.112 -0.116 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CCC1)c1cn[nH]c1 1605814616 KOPFKYJHVNFQKK-UHFFFAOYSA-N 252.230 -0.574 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccnc(C(=O)O)c1 1606901273 WNBNFEFMNYXDLR-UHFFFAOYSA-N 297.267 -0.796 50 20 CBGD CN(C)C(=O)CNC(=O)C(=O)NNc1ccc(F)cc1 155379442 OABZKHKGQRPGNO-UHFFFAOYSA-N 282.275 -0.527 50 20 CBGD CN(C)CC(=O)NNC(=O)CCC1CCOCC1 175946318 KNUUNLCDIRTWMT-UHFFFAOYSA-N 257.334 -0.098 50 20 CBGD CN(NC(=O)CCNC(=O)c1cccs1)C(N)=O 182652439 QFUCLPKMHCXLLW-UHFFFAOYSA-N 270.314 -0.090 50 20 CBGD CC[C@@H](C)OCC(=O)NNC(=O)C(=O)N1CCCC1 269743042 LPDMKIKHGLNGQI-SECBINFHSA-N 271.317 -0.429 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)c1cc(C)n[nH]1 270605340 XTKWFYLTYXIYPO-LURJTMIESA-N 269.261 -0.776 50 20 CBGD CC[C@@H](C(=O)NNC(=O)C(C)(C)O)N1CCCC1=O 276167231 AXAPDPUDNRAAAH-QMMMGPOBSA-N 271.317 -0.694 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CCCCC(=O)N1 279711493 KOJGMIUQLVPFFN-MRVPVSSYSA-N 256.306 -0.262 50 20 CBGD CCO/C=C(\C#N)C(=O)NC[C@@H](OC)C(=O)OC 293980171 KXZGOEQSCFGBTF-FCZSHJHJSA-N 256.258 -0.265 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=O)CC(F)(F)F 490832714 CNHVAPMPXKGVPN-UHFFFAOYSA-N 271.195 -0.216 50 20 CBGD CC[C@H](CNC(=O)c1cc(B(O)O)ccc1F)OC 584990760 JRCJLAXHDBEKLD-SECBINFHSA-N 269.081 -0.340 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@H]2C[C@@H]2C1 585006478 XGANQFKADDHHIA-WCBMZHEXSA-N 263.077 -0.013 50 20 CBGD COCCN1CCC(NCc2ccc(B(O)O)o2)CC1 585019402 LUTXSMQBKVMBDO-UHFFFAOYSA-N 282.149 -0.840 50 20 CBGD CN1CCC[C@H]1CCNCc1cccc(B(O)O)c1 585046864 CHVKSXORQAFLPZ-AWEZNQCLSA-N 262.162 -0.060 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc(Cl)nc1F 585056845 CGUBLLRLWYLDII-UHFFFAOYSA-N 268.462 -0.836 50 20 CBGD CC1=C(C(=O)NNC(=O)C(=O)NC(C)C)C(=O)OC1(C)C 727646523 ZNFJRFKZFOPIGQ-UHFFFAOYSA-N 297.311 -0.690 50 20 CBGD CN(C)C(=O)Cn1ccc(NC(=O)NNC(=O)O)n1 737349736 ITHUKXNJBAIZGZ-UHFFFAOYSA-N 270.249 -0.725 50 20 CBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)NC1CC1 746166161 XZZAOLPCYHDRAQ-UHFFFAOYSA-N 292.361 -0.849 50 20 CBGD CCNC(=O)NNC(=O)c1cncc(N2CCOCC2)c1 756947087 JIYOVBSJEPQKJB-UHFFFAOYSA-N 293.327 -0.118 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)Nc1cccnn1 757660304 BMLAORMWIXOXOU-UHFFFAOYSA-N 261.245 -0.025 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H](O)C(C)(C)C)cn1 765053314 ZRNZFAUDTXNPHF-QMMMGPOBSA-N 254.290 -0.412 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCc2n[nH]cc2C1 768245601 TYLZLDUPQRVYRH-SSDOTTSWSA-N 266.301 -0.567 50 20 CBGD CCNC(=O)N(C)N=Cc1cn(C)c(=O)n(C)c1=O 769594564 RXDGSKFWMOEIHF-UHFFFAOYSA-N 267.289 -0.921 50 20 CBGD CSCCNC(=S)NNC(=O)[C@H]1CN(C)CCO1 770249039 ZGSZZUHFXBJSEA-MRVPVSSYSA-N 292.430 -0.825 50 20 CBGD CC(=O)NNC(=O)c1cnc2scc(C)n2c1=O 776339125 QSODGFAGESYIRL-UHFFFAOYSA-N 266.282 -0.155 50 20 CBGD CNC(=O)NNC(=O)c1cccc(CC(=O)OC)c1 777780433 XOMMANWXWAYDBO-UHFFFAOYSA-N 265.269 -0.024 50 20 CBGD CN(NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(N)=O 778416109 ZPCGYMWYDSAKBL-UHFFFAOYSA-N 270.249 -0.432 50 20 CBGD COCCO[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 781961189 AWTXQIIIMBUAEN-LLVKDONJSA-N 285.344 -0.719 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)N(C)CC1CC1 782478393 NLIQAXBQKQLARU-UHFFFAOYSA-N 264.351 -0.261 50 20 CBGD CO[C@@H](C)CCC(=O)NNc1ccc(C(N)=O)nn1 782851359 LAQBVKVXIBNFOI-ZETCQYMHSA-N 267.289 -0.166 50 20 CBGD CCNC(=O)N(C)NC(=O)CCn1cnccc1=O 816006817 NFBMMYZWRLISOV-UHFFFAOYSA-N 267.289 -0.674 50 20 CBGD CCN(CCO)NC(=O)C12CC(C(=O)OC)(C1)C2 823893632 QJUOSICQZJGTDH-UHFFFAOYSA-N 256.302 -0.325 50 20 CBGD C[C@@H](Oc1ccccn1)C(=O)NNC(=O)CN(C)C 825703351 RCSYAUVWLNGKQW-SECBINFHSA-N 266.301 -0.442 50 20 CBGD CC[C@H](CO)NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 827280390 BGXBCTWVCVCJSM-DJLDLDEBSA-N 259.306 -0.487 50 20 CBGD CC(C)N(C)S(=O)(=O)NNC(=O)[C@@H]1CCCCO1 830034125 LFMWBUCCHUYSLW-VIFPVBQESA-N 279.362 -0.239 50 20 CBGD CC(=O)N1CC[C@](C)(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1 843655039 TXATYIJAIGKUAB-CHIMOYNISA-N 297.355 -0.183 50 20 CBGD Cc1cccnc1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 860911194 YBPILBAWPYFCPR-MRVPVSSYSA-N 277.284 -0.179 50 20 CBGD CCOCCO[C@@H](C)C(=O)NNC(=O)c1cn[nH]c1 862474987 VDXYOVFGDCYHIQ-QMMMGPOBSA-N 270.289 -0.388 50 20 CBGD Cc1cc(C(=O)NNC(=O)CS(C)(=O)=O)ccc1F 863461913 YZNJXBSZTBAGDV-UHFFFAOYSA-N 288.300 -0.060 50 20 CBGD CC[C@@H](NC(C)=O)C(=O)NNc1ncc(F)cn1 867042240 AFLAGLUJOXFTTF-MRVPVSSYSA-N 255.253 -0.027 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCNC1=O)[C@H]1CCCCO1 868618847 BJYBSHWCXZTGQH-RKDXNWHRSA-N 269.301 -0.771 50 20 CBGD C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NNC(=O)CN(C)C 878681534 UZMUTZFCAJAANT-UFBFGSQYSA-N 279.344 -0.215 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)[C@@H]1OCCN(C)C1=O 899962851 CPLGSPMBVCFPEE-NSHDSACASA-N 291.307 -0.387 50 20 CBGD CS(=O)(=O)N1CC(C(=O)NNc2ccnc(F)c2)C1 907275737 GOBKOKWKORTJJH-UHFFFAOYSA-N 288.304 -0.445 50 20 CBGD CS[C@@H](C)CC(=O)NNC(=O)CN1CCCC1=O 913731371 FXPAFPOMSMROJA-QMMMGPOBSA-N 273.358 -0.102 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CCC(=O)N1CCOCC1 917181605 WKAVRQLXGGSHET-UHFFFAOYSA-N 285.344 -0.181 50 20 CBGD Cn1cnc(S(=O)(=O)NNC(=O)c2ccc[nH]2)c1 1115937443 KPSDQUZYTAXENP-UHFFFAOYSA-N 269.286 -0.629 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cccnc1O 1115939511 TVJRGAVVUWZBRF-UHFFFAOYSA-N 266.257 -0.927 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cnn(C(C)(C)C)c1 1116621367 YQJZBPQHNXADPU-UHFFFAOYSA-N 297.315 -0.630 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2ccc(F)cc2)N1 1119118755 TVXKLYCNOGAKGK-SNVBAGLBSA-N 294.286 -0.065 50 20 CBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)c1ccncc1 1123465971 ZFKNPOMTSKRNCV-PWSUYJOCSA-N 289.339 -0.769 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCO1)C(=O)Nc1ccccn1 1253329798 MMEVLQPBJMIQGK-VIFPVBQESA-N 292.295 -0.263 50 20 CBGD Cn1nccc1C(=O)NNC(=O)NCC(F)(F)F 1256497230 UMPNCNHAGMAXMO-UHFFFAOYSA-N 265.195 -0.074 50 20 CBGD NC(=O)N1CCCN(S(=O)(=O)CCl)CC1 1261252752 XCBRQPLHNSUJFA-UHFFFAOYSA-N 255.727 -0.401 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1csnn1 1261833287 SEFRMEAFXIWGFR-UHFFFAOYSA-N 262.316 -0.577 50 20 CBGD CC[S@@](=O)CCNC(=O)NN(C)C(=O)OC 1261964354 LHPWENXTPMPQBU-MRXNPFEDSA-N 251.308 -0.333 50 20 CBGD Cc1noc(C)c1C=NNC(=O)[C@@H](C)NS(C)(=O)=O 1318266289 KOXKVPCQWWYCGA-SSDOTTSWSA-N 288.329 -0.321 50 20 CBGD O=C(CCO)NNC(=O)Nc1nnc2ccccn12 1320567326 SEQOGRXENWFFQG-UHFFFAOYSA-N 264.245 -0.736 50 20 CBGD CCc1nc(NC(=O)C(=O)NNC(=O)CO)sc1C 1321005595 QSAMWIBJQAHOET-UHFFFAOYSA-N 286.313 -0.908 50 20 CBGD C[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)[C@@H]1CCOC1 1322565934 VRCVASIJKNZITK-RKDXNWHRSA-N 281.316 -0.211 50 20 CBGD O=C(NNC(=O)C1=COCC1)C(=O)Nc1ccccn1 1323814303 QZQGTQFMDKTQMG-UHFFFAOYSA-N 276.252 -0.528 50 20 CBGD O=C(CCn1cnccc1=O)NNc1cccnn1 1326313211 CJLAIMWBLSOUAF-UHFFFAOYSA-N 260.257 -0.433 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1nc2c(s1)CCC2 1326721432 TZYABHRYFBZNBE-UHFFFAOYSA-N 298.324 -0.636 50 20 CBGD CN1CC[C@@]2(CCN(C(=O)NNC(=O)c3cn[nH]c3)C2)C1 1329193775 QQIUVBMADZEADH-CYBMUJFWSA-N 292.343 -0.208 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnn2ccncc12 1332467660 DCBIQRRSUZWLGJ-RKDXNWHRSA-N 289.295 -0.085 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@H]2CCSC2)N1 1332649352 FFZIHXAAMIGUSV-HTQZYQBOSA-N 286.357 -0.652 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc(CCN(C)C)cc1 1342590415 JFRJEZQWMZLCRK-UHFFFAOYSA-N 292.339 -0.104 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(O)n1 1349454655 CLSBDPSJJWWLCN-HTQZYQBOSA-N 265.269 -0.027 50 20 CBGD O=C(NCc1ccncc1)c1cccc(B(O)O)c1 1503997215 OYBBTLCTFCOSRU-UHFFFAOYSA-N 256.070 -0.309 50 20 CBGD O=C(NNC(=O)C1(C2CCNCC2)CC1)N1CCOCC1 1580732679 GIWUZNVRUGHKFU-UHFFFAOYSA-N 296.371 -0.161 50 20 CBGD O=C(NNC(=O)[C@@H]1CCN1)c1c[nH]c2ccccc2c1=O 1580733458 VCUIJHCTUAXEMS-NSHDSACASA-N 286.291 -0.349 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCOC2(CCC2)C1 1601552591 ADJIRSAWZOEXNV-ZETCQYMHSA-N 271.273 -0.497 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)O)c1 1603486307 LXADAPMHFRADHM-UHFFFAOYSA-N 279.252 -0.119 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H](C1CC1)[C@H]1CCCCO1 1608476954 CZKQWVUDSPSYQM-BDAKNGLRSA-N 285.300 -0.251 50 20 CBGD O=C(O)c1cc(C(=O)NNC(=O)c2cccc(F)n2)on1 1608837120 GAFONCQDRSJICL-UHFFFAOYSA-N 294.198 -0.018 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1c[nH]c(C(=O)O)c1 1610009637 RONJSWNIKMSOHQ-UHFFFAOYSA-N 290.301 -0.433 50 20 CBGD CS(=O)(=O)CC(=O)NN=Cc1ccc(C(=O)O)[nH]1 1776097006 CHXAAVMUFCYJLE-UHFFFAOYSA-N 273.270 -0.792 50 20 CBGD CN1C(=O)CC[C@H](NS(=O)(=O)CBr)C1=O 127520746 HSDZTPNYUXQICN-YFKPBYRVSA-N 299.146 -0.594 50 20 CBGD COC(=O)[C@H]1CN(S(=O)(=O)CCCCl)CCO1 157062789 OIKRHDJPSCKPQE-MRVPVSSYSA-N 285.749 -0.181 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CCCN1Cc1ccccc1 180951369 WPXODSYGFBRCEJ-GFCCVEGCSA-N 277.324 -0.209 50 20 CBGD CN(C)CC(=O)NNC(=O)CNC(=O)OC(C)(C)C 265084062 RBEDWQYGOLXGHI-UHFFFAOYSA-N 274.321 -0.780 50 20 CBGD CNc1nc(C)cc(C(=O)NNC(=O)CN(C)C)n1 287894697 YPGOHIJBGRYWFG-UHFFFAOYSA-N 266.305 -0.851 50 20 CBGD CNS(=O)(=O)c1ccc(C(=O)NN(C)CCOC)o1 288516132 NIRQGHVFSCNEFE-UHFFFAOYSA-N 291.329 -0.589 50 20 CBGD COC(=O)CC[C@@H](N)C(=O)NNc1nc(C)cc(OC)n1 288747949 MYOCPDZKYRCRCU-MRVPVSSYSA-N 297.315 -0.483 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@H]1CN2CCCN1CC2 367149764 YFXGXKKIUAWUKM-GFCCVEGCSA-N 291.355 -0.824 50 20 CBGD NNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 371209769 VYSHTSKKXBIEFX-VIFPVBQESA-N 277.280 -0.199 50 20 CBGD COc1nccnc1NNC(=O)[C@H]1NC(=O)O[C@@H]1C 496316025 YDYQFEZPDYXMFB-RITPCOANSA-N 267.245 -0.575 50 20 CBGD COCCCNC(=O)c1cc(B(O)O)ccc1F 584924514 VJSABUMSNPDXPM-UHFFFAOYSA-N 255.054 -0.728 50 20 CBGD C[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C[C@H]1O 584969727 IHJVOZRULWKJFG-PRHODGIISA-N 281.092 -0.652 50 20 CBGD Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1ccc(B(O)O)cc1 584987132 IAKHYFQPGRPZHP-ZDUSSCGKSA-N 299.139 -0.093 50 20 CBGD O=C(N[C@@H](CO)C1CCCC1)c1cc(B(O)O)ccc1F 584991231 WPPHHBFMBKDONO-ZDUSSCGKSA-N 295.119 -0.214 50 20 CBGD OB(O)c1ccc(CNC[C@@H]2CCn3ccnc3C2)o1 585039852 ZAWLPSCCAAQOFF-SNVBAGLBSA-N 275.117 -0.492 50 20 CBGD O=S(=O)(c1ccccn1)N1CC[C@H](B(O)O)C1 585056760 WJXJXQPYDLNTOX-QMMMGPOBSA-N 256.092 -0.681 50 20 CBGD O=C(NCB(O)O)c1ccc([N+](=O)[O-])cc1Cl 585056952 DSGBHVRVMJWIEG-UHFFFAOYSA-N 258.426 -0.010 50 20 CBGD Cc1cc(F)cc(C#N)c1S(=O)(=O)NCB(O)O 585057390 SMCXPJIWJBJOBM-UHFFFAOYSA-N 272.066 -0.704 50 20 CBGD CN(C)c1cccc(S(=O)(=O)NCB(O)O)c1 585059350 KBOHMUQWWUKCSV-UHFFFAOYSA-N 258.108 -0.957 50 20 CBGD COc1ccc(NC(=O)C(=O)N2CC[C@@H](B(O)O)C2)cc1 585070079 VXJPACUTCLKSRY-SECBINFHSA-N 292.100 -0.291 50 20 CBGD CCC(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](B(O)O)C1 585071870 CFYCQQOEVSANPX-MNOVXSKESA-N 282.149 -0.147 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)Cc1cnn(C)c1 732082866 QIKPYDCOZCZBTP-UHFFFAOYSA-N 262.273 -0.545 50 20 CBGD Cc1nn(C)cc1C(=O)NNC(=O)N1CCOCC1 733255760 DSIARDCONPJACO-UHFFFAOYSA-N 267.289 -0.585 50 20 CBGD CCCNC(=O)NNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 748724918 XTTVFICVXOPZLZ-UHFFFAOYSA-N 297.271 -0.503 50 20 CBGD O=C(O)c1ccc(C=NNC(=O)[C@H]2COCCO2)[nH]1 749815397 YIUBNAZEPINBRP-SECBINFHSA-N 267.241 -0.422 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@]1(C)CCCO1 756083117 CBCFAQKHXBCXKN-NSHDSACASA-N 259.306 -0.078 50 20 CBGD NC(=O)[C@@H]1CC[C@H](CNC(=O)NNC(=O)C2CCCC2)O1 760204196 OJDJQESIYPQZON-ZJUUUORDSA-N 298.343 -0.460 50 20 CBGD CCOCc1cccc(NC(=O)C(=O)NNC(=O)CO)c1 764428043 BGVGERHQIYZLTD-UHFFFAOYSA-N 295.295 -0.699 50 20 CBGD CC(C)c1ccc(NC(=O)C(=O)NNC(=O)CO)cc1 764428622 ITRDPLSWYCJULL-UHFFFAOYSA-N 279.296 -0.112 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@]1(O)CCSC1 765687186 WATXUHSEUWXTGH-JTQLQIEISA-N 259.331 -0.405 50 20 CBGD CCN(CC)C(=O)CCCC(=O)NNC(=O)C(C)(C)O 768246138 XSWGDFAUVZQEIX-UHFFFAOYSA-N 287.360 -0.057 50 20 CBGD O=C(NN=c1cc[nH]cc1)[C@H]1CN2CCCN1CC2 780762691 OEQZKZWKXHQTBJ-GFCCVEGCSA-N 261.329 -0.664 50 20 CBGD COCCN(C)NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 819745314 XEDHQEIHGAKBJB-QWRGUYRKSA-N 297.355 -0.229 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CCCN1C(=O)C1CC1 823893351 GOQDVBKGCSMNGH-NSHDSACASA-N 269.345 -0.267 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccnc2c1nnn2C 823924291 YXQYODOAJBGWBP-SSDOTTSWSA-N 264.289 -0.679 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CCCCN1C1CCCC1 827893721 IKODUIRGSSDVJT-LLVKDONJSA-N 269.345 -0.077 50 20 CBGD CO[C@@H]1COC[C@H]1NC(=O)NNC(=O)c1ccccc1O 827913815 OEZVEDPJXBDLJQ-MWLCHTKSSA-N 295.295 -0.250 50 20 CBGD C[C@@H]1CCCN1S(=O)(=O)NNC(=O)[C@H]1CCCCO1 830038064 ZHEATQFHXGMLSI-NXEZZACHSA-N 291.373 -0.095 50 20 CBGD N#CC1=CCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1 831488377 PZGMSAWBJGEWHU-LLVKDONJSA-N 298.368 -0.416 50 20 CBGD Cc1ccc(C)c(OCC(=O)NNC(=O)NCCN)c1 841919890 BWVWHEQLWSWLLW-UHFFFAOYSA-N 280.328 -0.029 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CSCC#N 843646076 OTRVTINMNVUKED-SFYZADRCSA-N 257.315 -0.184 50 20 CBGD O=C(Cn1nnnc1-c1ccsc1)NNC(=O)C1CC1 843752295 OKINJLYMSCHJJP-UHFFFAOYSA-N 292.324 -0.041 50 20 CBGD Cc1ncc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)[nH]1 843975992 VXDHTPYWGYQPRN-XPUUQOCRSA-N 252.274 -0.096 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc2cccnn12 846276846 XTXUPYFBXSVMCV-BDAKNGLRSA-N 289.295 -0.085 50 20 CBGD CN(C)c1nc(N)nc(C(=O)NNC(=O)CC(C)(C)C)n1 846634439 VJZPYYCYZJDXNJ-UHFFFAOYSA-N 295.347 -0.283 50 20 CBGD O=C(CN[C@H](CCO)C(F)(F)F)NNC(=O)C1CC1 852080058 KFFKWZYJDSAQML-SSDOTTSWSA-N 283.250 -0.553 50 20 CBGD O=C(NNc1nc(-c2ccccc2)no1)C1(O)CNC1 852830254 HSGDYJOGELXQKP-UHFFFAOYSA-N 275.268 -0.486 50 20 CBGD CC(Cn1cncn1)=NNC(=O)N1CCOCC1 853296227 GYMQWJVDIJTGNM-UHFFFAOYSA-N 252.278 -0.304 50 20 CBGD CC(C)(C(N)=O)C(=O)NNC(=S)NCC1CCC1 855089836 IMKBOGJKCFAEQT-UHFFFAOYSA-N 272.374 -0.207 50 20 CBGD COC[C@H](OC)C(=O)NNC(=S)NCC1CCC1 855093389 PFRLRDYZUJWAIU-VIFPVBQESA-N 275.374 -0.057 50 20 CBGD CCC[C@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)OC 858500883 UDSNCDNECXQICS-RKDXNWHRSA-N 286.332 -0.590 50 20 CBGD CN(C)C(=O)NNC(=O)[C@]1(C2CCCC2)CCNC1=O 858908267 YVHKVEHTLJJKKK-ZDUSSCGKSA-N 282.344 -0.015 50 20 CBGD O=C(NNC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1cccnn1 862047349 FCYQHYPVHOPENB-QMMMGPOBSA-N 289.295 -0.752 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnc2ccnn12 862094655 OMRXGIAEORAOIT-BDAKNGLRSA-N 289.295 -0.085 50 20 CBGD COC(=O)C(C)(C)CC=NNC(=O)[C@@H]1CCC(=O)N1 863149987 KMKOZHYCKODTJG-QMMMGPOBSA-N 269.301 -0.044 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1cc(C2CC2)[nH]n1 863459387 RVCDKYHAACVCOE-UHFFFAOYSA-N 286.313 -0.907 50 20 CBGD CCn1cnc(C(=O)NNC(=O)COCCOC)c1 869903047 HLKFFEHRTRXCKK-UHFFFAOYSA-N 270.289 -0.673 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCc2ncncc2C1 880597164 PSGZZZQLQXGDIP-SECBINFHSA-N 277.328 -0.219 50 20 CBGD Cn1cc(C(=O)NNC(=O)CC2CC2)n(C)c1=O 908449226 SMKKGNBAHGDASG-UHFFFAOYSA-N 252.274 -0.715 50 20 CBGD Cn1cnc(/C=C/C(=O)NNC(=O)N2CCOCC2)c1 931114087 MGIFPFGZTKYENU-NSCUHMNNSA-N 279.300 -0.494 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](C2OCCO2)C1 932002104 DEGDZBQWVMMOPV-NXEZZACHSA-N 285.344 -0.373 50 20 CBGD COC(=O)NNC(=O)CCc1c(C)nc(O)nc1O 1115821292 MDOGZXJWSHILME-UHFFFAOYSA-N 270.245 -0.484 50 20 CBGD O=C1NCC[C@H]1C(=O)NNc1nc(-c2cccnc2)no1 1118594056 XFZMVHMEMJQDSX-MRVPVSSYSA-N 288.267 -0.289 50 20 CBGD C/C(=C/C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1cnccn1 1118884796 QMFCTPUHXGASIH-JGAIRUGNSA-N 289.295 -0.694 50 20 CBGD Cc1nn(C)cc1C(=O)NNC(=O)C1CCOCC1 1119288839 ITQCBTHJJOKIQX-UHFFFAOYSA-N 266.301 -0.084 50 20 CBGD O=C(NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21)C1CCOCC1 1120077850 KNCVWUIJDDIFSQ-FBIMIBRVSA-N 266.297 -0.215 50 20 CBGD COc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccn1 1261841720 ARIJSFIEFTWZMS-QMMMGPOBSA-N 278.268 -0.870 50 20 CBGD CSCCNC(=S)NNC(=O)c1nnn(C)c1C 1320522362 KDFDFFZOYUHLIL-UHFFFAOYSA-N 288.402 -0.405 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cccnc1C 1321138983 HQYCXRYTLRYSIU-UHFFFAOYSA-N 250.258 -0.114 50 20 CBGD CCn1cc(C(=O)C(=O)NNC(=O)C(C)(C)O)cn1 1324686486 QIBMSWPWOPQMJC-UHFFFAOYSA-N 268.273 -0.996 50 20 CBGD Cc1nc(O)[nH]c1C(=O)NNC(=O)[C@H]1CCO[C@H]1C 1326811488 FBSYOKANTBLUSY-BQBZGAKWSA-N 268.273 -0.390 50 20 CBGD CN(NC(=O)[C@H]1CCS(=O)(=O)c2ccccc21)C(N)=O 1340998733 YBMGQWWTBMYVEV-VIFPVBQESA-N 297.336 -0.011 50 20 CBGD COc1ccc(NNC(=O)N[C@H]2CC(=O)N(C)C2)nc1 1343162339 SFPIDPOSKAMXRR-QMMMGPOBSA-N 279.300 -0.053 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc(C(=O)O)[nH]1 1573877026 MNRLEMQSOVCSFO-UHFFFAOYSA-N 255.230 -0.755 50 20 CBGD CO[C@H]1CN[C@@H](C(=O)NNC(=O)Cc2ccsc2)C1 1574001529 CESQSMUTFZQTSR-NXEZZACHSA-N 283.353 -0.185 50 20 CBGD CO[C@H]1CN[C@H](C(=O)NNc2ncc(Cl)cn2)C1 1574006038 DFWGSZXABURPMY-SFYZADRCSA-N 271.708 -0.050 50 20 CBGD COc1ccccc1OCC(=O)NNC(=O)CCCN 1574049568 XSLXBKHQSMNWPJ-UHFFFAOYSA-N 281.312 -0.040 50 20 CBGD OB(O)c1cccc(CNC[C@@H]2CCCNCC2)c1 1580876215 GHNZFHSOOXHDHM-GFCCVEGCSA-N 262.162 -0.154 50 20 CBGD CC(C)(O)C(=O)NNC(=O)Cc1ccccc1C(=O)O 1588795864 NFRFEGFZQFOCMI-UHFFFAOYSA-N 280.280 -0.154 50 20 CBGD O=C(CC1OCCO1)NNc1ccc(C(=O)O)cn1 1601259152 GQXYSGMOLUUULP-UHFFFAOYSA-N 267.241 -0.014 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)c1cc(C(=O)O)on1 1601369630 FKRZZQRWUSJUGF-UHFFFAOYSA-N 290.235 -0.229 50 20 CBGD CC(=O)NNC(=O)CCn1c(=O)n(C)c2ccccc21 23198956 AXBLJFXTIZJGOJ-UHFFFAOYSA-N 276.296 -0.103 50 20 CBGD COC(=O)CCCCNC(=O)NNC(=O)[C@@H]1CCCO1 69245015 MGAJKLMWRGWUBO-VIFPVBQESA-N 287.316 -0.161 50 20 CBGD NC(=O)NCCC(=O)NNC(=O)NC1CCCCC1 263648850 BIBJNVQVKQUBAI-UHFFFAOYSA-N 271.321 -0.292 50 20 CBGD CN1C[C@H](NC(=O)NNC(=O)CC(C)(C)C)CC1=O 267519144 TZZKENRQYMWNCZ-MRVPVSSYSA-N 270.333 -0.016 50 20 CBGD C[C@@H]1CN(C(=O)NNC(=O)C(C)(C)C)C[C@@H](C(N)=O)O1 268430910 IQZWYRCSXLTAEB-SFYZADRCSA-N 286.332 -0.652 50 20 CBGD CNC(=O)NNC(=O)Cc1cccc(C(=O)OC)c1 270242021 CVPMEVQSENZXMU-UHFFFAOYSA-N 265.269 -0.024 50 20 CBGD COC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)c1ccc[nH]1 285091334 NZUMKZHLSWGXNE-SFYZADRCSA-N 265.269 -0.025 50 20 CBGD COCCN(C)NC(=O)CNC(=O)NCc1ccco1 288475033 RHNCOIFIVKRWKZ-UHFFFAOYSA-N 284.316 -0.312 50 20 CBGD COC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)CC(C)C)O1 289295151 AOWIKKUCHWGRPL-DTWKUNHWSA-N 272.301 -0.100 50 20 CBGD COC(=O)NNC(=O)CN1C(=O)c2ccccc2C1=O 490579173 OYZXBLOZXVGHGP-UHFFFAOYSA-N 277.236 -0.330 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CCN(C)C[C@H](C(=O)OC)C1 491172982 AHYDPOISVIZJET-WEHUKYGOSA-N 295.339 -0.006 50 20 CBGD C[C@@H](CCN(C)C)NC(=O)c1cccc(B(O)O)c1 584945793 LDUXHHMJVPPYQG-JTQLQIEISA-N 264.134 -0.564 50 20 CBGD CC[C@@H](CN1CCCC1)NC(=O)c1cccc(B(O)O)c1 584952342 TUZZXRCWHCTFRW-AWEZNQCLSA-N 290.172 -0.029 50 20 CBGD NC(=O)C[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584955207 PDFDFQGAWDRBHQ-JTQLQIEISA-N 290.128 -0.906 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC(CCO)CC1 584968651 ZZDOIDLVFJOACV-UHFFFAOYSA-N 277.129 -0.399 50 20 CBGD C[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C1(CO)CC1 585007349 XDDPTKZIZLGVPB-MRVPVSSYSA-N 281.092 -0.604 50 20 CBGD C[C@@H](CNCc1ccccc1B(O)O)N(C)C1CC1 585024396 VVLVOLDIXKBOFA-NSHDSACASA-N 262.162 -0.061 50 20 CBGD C[C@H](Cn1cnnc1)NCc1cccc(B(O)O)c1 585031087 QBATZLCORNATDN-SNVBAGLBSA-N 260.106 -0.864 50 20 CBGD C[C@@H](CNCc1cccc(B(O)O)c1)[S@](C)=O 585035339 SJFJGMIOIBUULL-XYZCENFISA-N 255.148 -0.777 50 20 CBGD Cc1nc(S(=O)(=O)NCB(O)O)sc1C 585055929 LGDBOAKSBNBXHE-UHFFFAOYSA-N 250.110 -0.950 50 20 CBGD CN1CCN([C@@H](C(=O)NCB(O)O)c2ccccc2)CC1 585060813 ZGLVDCNXECNCHN-CYBMUJFWSA-N 291.160 -0.897 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@H]1CCCO1 733952226 ZEXHHKPXLPOWSJ-NXEZZACHSA-N 289.332 -0.453 50 20 CBGD COCCCNC(=O)NNC(=O)COC1CCOCC1 735271490 IKXNCMHRWSZUMF-UHFFFAOYSA-N 289.332 -0.451 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1C[C@@H]1C(=O)O 738827657 KGFJFJJLVRPMCU-RITPCOANSA-N 252.230 -0.800 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)c1ncccn1 743337719 ZPKFOEFMYWPHRI-UHFFFAOYSA-N 257.253 -0.125 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CCCN1c1ncccn1 747366695 ZKQUFRUDDJWLAH-QMMMGPOBSA-N 264.289 -0.594 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 749586814 ZVLRVCZCMCWCRB-SNVBAGLBSA-N 282.344 -0.015 50 20 CBGD CC[C@H]1CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)CCO1 756826765 LHELVUHCSRFRCP-WPRPVWTQSA-N 291.373 -0.015 50 20 CBGD Nc1ncc([N+](=O)[O-])cc1C(=O)NNC(=O)c1ccc[nH]1 757700453 BDWBUQGBSKYCAL-UHFFFAOYSA-N 290.239 -0.025 50 20 CBGD NC(=O)[C@H]1CC[C@@H](CNC(=O)NNc2ncccn2)O1 760202238 DIUOXGWDMWFTPU-JGVFFNPUSA-N 280.288 -0.864 50 20 CBGD O=C(NNS(=O)(=O)N1CCOCC1)C1CCCC1 765047921 FBJQLVYFFXDIKJ-UHFFFAOYSA-N 277.346 -0.626 50 20 CBGD CCNC(=O)N(C)NC(=O)C[C@@H]1SC(=N)NC1=O 768412337 FYOCKYMPLVDBMZ-YFKPBYRVSA-N 273.318 -0.765 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)C[C@@H]1O 768767854 NWQUPFMYRCYDBA-CABZTGNLSA-N 295.314 -0.101 50 20 CBGD O=C(CO)NNC(=O)Nc1cccc(N2CCC2=O)c1 790577061 RKCAFCLEJKDCHG-UHFFFAOYSA-N 278.268 -0.432 50 20 CBGD CCCN(C)CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 792850590 OZUBRPUUGLCWBQ-LLVKDONJSA-N 291.417 -0.180 50 20 CBGD CN(NC(=O)c1nn(C)cc1Br)C(N)=O 815900647 KTJJUDNQLRUQSO-UHFFFAOYSA-N 276.094 -0.162 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cccc(-n2cncn2)n1 823913507 VUGGBMBOOTVMPK-VIFPVBQESA-N 276.300 -0.380 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCc2nccn2C1 823918482 XMKUPDVCHZXFKM-ZJUUUORDSA-N 252.318 -0.211 50 20 CBGD Cc1cc(-c2nn[nH]n2)ccc1C(=O)NN(C)C(N)=O 826249354 YDLHGHLMKFGNFX-UHFFFAOYSA-N 275.272 -0.170 50 20 CBGD COCCONC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 826652664 XHTNNYKVFXVRGX-HTQZYQBOSA-N 261.278 -0.680 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCCNC(=O)[C@@H]1C 827274280 MYVUXNYXOJYVHW-GUBZILKMSA-N 298.343 -0.637 50 20 CBGD COCCNCCNC(=O)NNc1nc(C)cc(OC)n1 841968953 VWBPKQLBKJUDAC-UHFFFAOYSA-N 298.347 -0.344 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)CC[C@H]1N 843353944 RRELPCBQYHQBCQ-PSASIEDQSA-N 254.334 -0.787 50 20 CBGD CO[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1cnn(C)c1 843653047 CZFXWLAZXFQLBR-LSJOCFKGSA-N 296.327 -0.320 50 20 CBGD COC[C@H]1C[C@@H](O)CN1CC(=O)NNC(=O)C(C)(C)C 844405125 ZZVWHILOYYLLJQ-NXEZZACHSA-N 287.360 -0.739 50 20 CBGD C[C@@H](O)C[C@@H]1COCCN1S(=O)(=O)CCl 849387643 VLLQCYIGGLJNNB-HTQZYQBOSA-N 257.739 -0.016 50 20 CBGD CO[C@H](C=NNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 853292945 ZRVSRAUUZHVPKX-VHSXEESVSA-N 289.357 -0.117 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@]1(O)CCOC1 854387919 PIQWOFBVUQIYNW-LBPRGKRZSA-N 290.316 -0.926 50 20 CBGD C#C[C@H](NCc1cccc(B(O)O)c1)[C@H]1CCCO1 863890626 AYAQELCDBNZLES-UONOGXRCSA-N 259.114 -0.363 50 20 CBGD COC(=O)[C@H]1C[C@H](NCc2ccc(B(O)O)cc2)C1 863891835 DKCZEPJVRIZWTA-UMSPYCQHSA-N 263.102 -0.592 50 20 CBGD COC(=O)[C@@H](NC(=O)c1cccc(B(O)O)c1)C(C)(C)C 865907772 UNQCLGPUFJRXLY-LLVKDONJSA-N 293.128 -0.316 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCCNC1=O 869068428 PZXXJZGDMAXODI-YIZRAAEISA-N 269.301 -0.915 50 20 CBGD Cn1cnc(CNC(=O)NNC(=O)[C@H]2CCCCO2)c1 898618688 AUWTWKGGVXUDOD-SNVBAGLBSA-N 281.316 -0.180 50 20 CBGD CC1=NO[C@](C)(C(=O)NNC(=O)c2cnn(C)c2)C1 903462995 LSOYBOIFKHBRSW-NSHDSACASA-N 265.273 -0.264 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)n1 905161521 XFZUVVWHOFWQHB-TVYUQYBPSA-N 290.323 -0.128 50 20 CBGD CC/C=C(\C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 914879116 LGRZWKNWTCQZCQ-SGDMMICCSA-N 274.342 -0.075 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 920858574 IOJAZDUTMLYSTD-HQJQHLMTSA-N 286.357 -0.209 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1CCN(C)C(=O)C1 920862047 JTSKUTMXOCTGQF-VIFPVBQESA-N 286.332 -0.778 50 20 CBGD O=C(Cn1cncn1)NNc1nc(-c2cccnc2)no1 1116038680 ZYTXXQYRGDGPJN-UHFFFAOYSA-N 286.255 -0.134 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)CCN1C 1116168611 OCNMRUZNSBBZSM-SCZZXKLOSA-N 297.359 -0.922 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(F)c[nH]1 1117704282 SLCQJTOBSLPQRM-UHFFFAOYSA-N 256.237 -0.561 50 20 CBGD COCCC[C@@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 1254280218 OYTWYCMPNSYQRY-SNVBAGLBSA-N 285.344 -0.181 50 20 CBGD CN(CC(Cl)Cl)C(=O)c1cn(CC(N)=O)nn1 1261251827 MMDCBDGORLZZHV-UHFFFAOYSA-N 280.115 -0.361 50 20 CBGD CCCCN(C)CCNC(=O)NNC(=O)C(=O)OC 1318882540 NPOJHWOSEUDIAV-UHFFFAOYSA-N 274.321 -0.778 50 20 CBGD COCCCCC(=O)NNc1ccc(C(N)=O)nn1 1319245324 UTQIGOQTEXBDNY-UHFFFAOYSA-N 267.289 -0.165 50 20 CBGD Cc1n[nH]cc1C(=O)NN=Cc1cn(CC(=O)O)nn1 1319328214 IFZUXIOBLZTUHL-UHFFFAOYSA-N 277.244 -0.842 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cc(Cl)cnc1N 1319468351 VXZKNNPSWVBWIP-UHFFFAOYSA-N 279.709 -0.561 50 20 CBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)CCC1=O 1319601474 OEUVHLABMDKEST-ZJUUUORDSA-N 295.339 -0.239 50 20 CBGD CN(NC(=O)Cn1ncc2ccccc2c1=O)C(N)=O 1320142117 INUWAZUMEHZERN-UHFFFAOYSA-N 275.268 -0.562 50 20 CBGD O=C(Cc1nc2ncccn2n1)NN=c1cc[nH]cc1 1320202930 NXSLBGQCLOTFJY-UHFFFAOYSA-N 269.268 -0.373 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@]1(C)CCO[C@H]1C1CC1 1320413885 QRVIZZIDIAIHCK-TVQRCGJNSA-N 299.327 -0.305 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c[nH]c(C)cc1=O 1320492638 ZVQOIJOVUDJKGU-QMMMGPOBSA-N 295.295 -0.214 50 20 CBGD CN(C)C(=O)NNC(=O)c1cccc(C(N)=O)n1 1325132538 HPBAENFUKCKSAL-UHFFFAOYSA-N 251.246 -0.904 50 20 CBGD C[C@@H](CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1cnn(C)c1 1329530658 OPTQJFXIWHYLLO-WPRPVWTQSA-N 293.327 -0.660 50 20 CBGD COC[C@@H](C)CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1331907181 MNRNDBBJMLZOKR-DTWKUNHWSA-N 292.357 -0.759 50 20 CBGD C/C(Cl)=C\C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1333993079 FEAKHMIDIOWWCY-KNIZRNDPSA-N 280.733 -0.289 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C)nn1 1348479197 RKLXCWGZAQTURF-VIFPVBQESA-N 277.284 -0.867 50 20 CBGD CN(N)C(=O)[C@@H](CO)NC(=O)OCc1ccccc1 1573877189 HFWQLDBOHYIKDR-SNVBAGLBSA-N 267.285 -0.394 50 20 CBGD N[C@@H]1CCO[C@@H]1C(=O)NNC(=O)Nc1ccccc1 1580384037 TXCXCQFDLVBARD-ZJUUUORDSA-N 264.285 -0.045 50 20 CBGD Cn1nncc1NNC(=O)c1cc(-c2nn[nH]n2)ccn1 1581849807 DDTKEPWBOUIHPH-UHFFFAOYSA-N 286.259 -0.853 50 20 CBGD CC(C)(C)[C@@H](C(=O)O)C(=O)NNC(=O)c1cccnn1 1588633257 GRHNCVDCEAYSNH-MRVPVSSYSA-N 280.284 -0.016 50 20 CBGD COC(=O)C(=O)NN=C(C)c1ccc(-c2nn[nH]n2)cc1 1591226255 RSOYOSSEMCWHKM-UHFFFAOYSA-N 288.267 -0.120 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNC(=O)c1ccc(C)o1 1593911681 PBIPYRAEGNQFQR-ZETCQYMHSA-N 256.214 -0.551 50 20 CBGD O=C(O)c1cc(C(=O)NNc2nc3ccccn3n2)[nH]n1 1594782253 UWWLBSMKHWNWPJ-UHFFFAOYSA-N 287.239 -0.093 50 20 CBGD COc1cccc(CNC(=O)NNC(=O)C(=O)O)c1 1599674137 YYMBVGFVJBATKU-UHFFFAOYSA-N 267.241 -0.390 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 1601553080 SUWCXKMPIDKAGX-PRJMDXOYSA-N 271.273 -0.641 50 20 CBGD O=C(NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1)c1ncon1 1601553623 OLMSQCYVXARBGA-BQBZGAKWSA-N 282.256 -0.278 50 20 CBGD C[C@]1(C(=O)NNC(=O)CSCC(=O)O)CCCO1 1603292927 SMDHXVNTBHNDOR-SNVBAGLBSA-N 276.314 -0.479 50 20 CBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1F 1608530821 HDIXSANKIWXTDQ-UHFFFAOYSA-N 287.178 -0.865 50 20 CBGD CN1CCC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1=O 1609283373 VABIMCZBFJXZQM-UHFFFAOYSA-N 299.294 -0.185 50 20 CBGD C[C@@H](C(=O)NNC(=O)C(=O)NC1CC1)N1[C@H](C)CC[C@H]1C 101629075 MRTVTTPXNOSWKP-BBBLOLIVSA-N 296.371 -0.326 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccccc1OCC#N 113424618 KTNMPBBEPSQNMK-UHFFFAOYSA-N 276.296 -0.088 50 20 CBGD Cc1ccc(C(=O)C(=O)NNC(=O)CN(C)C)cc1 113427930 AFTZDVKGRXMJER-UHFFFAOYSA-N 263.297 -0.113 50 20 CBGD CC(C)N(CC(N)=O)CC(=O)NNC(=O)c1ccccc1 177817981 PNHKSTBQEAORDL-UHFFFAOYSA-N 292.339 -0.357 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)NCc1ccco1 270458691 IJQMVKHCMLVYEM-ZETCQYMHSA-N 284.272 -0.146 50 20 CBGD CCOC(=O)/C(C#N)=C/NNC(=O)Nc1noc(C)n1 272619680 JMOJEQJRVGEAEC-FNORWQNLSA-N 280.244 -0.025 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCS1(=O)=O)c1ccccn1 273316061 YCJSSYLFROOJFA-SNVBAGLBSA-N 297.336 -0.190 50 20 CBGD COC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)NC1CC1 285076758 LSPSUZCDIABPPN-YUMQZZPRSA-N 255.274 -0.322 50 20 CBGD COC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)NC(C)C 285130120 NHUOUASDFZOKPC-SFYZADRCSA-N 257.290 -0.076 50 20 CBGD CNC(=O)[C@H](C)NC(=O)NNC(=O)c1ccccc1OC 292662777 LRAXABBMRRBQPM-QMMMGPOBSA-N 294.311 -0.226 50 20 CBGD CN(C)C(=O)CCNC(=O)NNc1ncncc1F 293028395 NHMXLUNLMFIVRT-UHFFFAOYSA-N 270.268 -0.280 50 20 CBGD COC(=O)N1CC(NS(=O)(=O)CBr)C1 492098930 PEDOEKYFNQXPIN-UHFFFAOYSA-N 287.135 -0.291 50 20 CBGD CCC(=O)N1CC[C@H](C(=O)Nc2cccc(B(O)O)c2)C1 584911096 HTOGEVONKCTIRV-JTQLQIEISA-N 290.128 -0.437 50 20 CBGD COC[C@H](C)CNC(=O)c1cccc(B(O)O)c1 584935281 FJQXNKFIWDNWKQ-SECBINFHSA-N 251.091 -0.621 50 20 CBGD CC[C@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@H]1O 584967814 MWAGQHTUESHYCQ-JOYOIKCWSA-N 263.102 -0.791 50 20 CBGD CN(CCCN1CCCC1)C(=O)c1ccc(B(O)O)cc1 584985292 JKAGEMXTDGLYPN-UHFFFAOYSA-N 290.172 -0.076 50 20 CBGD C[C@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@@H]1CO 585010978 VRFZBLAQUWZYOE-GXSJLCMTSA-N 295.119 -0.404 50 20 CBGD C[C@H](NCc1ccc(B(O)O)o1)[C@@H](C)n1cccn1 585021390 JUUZHYLYNYKBBL-VHSXEESVSA-N 263.106 -0.105 50 20 CBGD OC[C@@H](CNCc1ccccc1B(O)O)Cc1ccco1 585028904 SMMDQPKPELRYMH-GFCCVEGCSA-N 289.140 -0.100 50 20 CBGD CS[C@@H](CO)[C@@H](C)NCc1cccc(B(O)O)c1 585029453 RKMFSWRAIUJWSH-SKDRFNHKSA-N 269.175 -0.432 50 20 CBGD OB(O)c1ccc(CNCCOC(F)(F)F)cc1 585037592 CTJBROPMTNRNSI-UHFFFAOYSA-N 263.024 -0.008 50 20 CBGD CC(C)[C@H](NCc1ccc(B(O)O)o1)c1nncn1C 585040880 RBQIZYXQRKRUQQ-NSHDSACASA-N 278.121 -0.425 50 20 CBGD COCc1cc(Cl)cc(S(=O)(=O)NCB(O)O)c1 585059170 BOUJUGYDRWQKEQ-UHFFFAOYSA-N 293.537 -0.223 50 20 CBGD C[C@H](C(=O)NNC(=O)C1CCCC1)N1CCN(C)CC1 725883798 QCRWLSVQIIWNRL-LLVKDONJSA-N 282.388 -0.040 50 20 CBGD CO[C@H](C)CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 728162518 ZCJUMUVVLPSSEP-NXEZZACHSA-N 278.374 -0.096 50 20 CBGD Cc1csc(CC(=O)NNC(=O)CN2CC[C@H](O)C2)n1 733998039 NOMZUIYAICDFMI-VIFPVBQESA-N 298.368 -0.792 50 20 CBGD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NNc1cnccn1 734242709 WNXNNAAMPQMGNA-UHFFFAOYSA-N 290.239 -0.310 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CCCN(C)C(=O)O 736478029 XIAGWKXUNJOILS-UHFFFAOYSA-N 288.304 -0.952 50 20 CBGD CCc1nncn1CCNC(=O)NNc1ncccn1 745911415 HQEBVGSUBGOFOI-UHFFFAOYSA-N 276.304 -0.043 50 20 CBGD CCN(CC)CCNC(=O)NNC(=O)C(=O)N1CCCC1 748451511 RSVCQBSGNKODHX-UHFFFAOYSA-N 299.375 -0.719 50 20 CBGD COC(=O)c1[nH]c(C)c(C(=O)NNC(=O)CO)c1C 753445547 MPLDISZSWYFOBX-UHFFFAOYSA-N 269.257 -0.829 50 20 CBGD CSc1nsc(NC(=O)NNC(=O)CO)n1 757591615 YQAVQEMQUKWMOA-UHFFFAOYSA-N 263.304 -0.595 50 20 CBGD CCCNC(=O)NNC(=O)c1ccc2nnnn2c1 758182659 DBCUMGKKVCHFPF-UHFFFAOYSA-N 263.261 -0.522 50 20 CBGD CC1CC(C#N)(C(=O)NNC(=O)N2CCOCC2)C1 758201769 QELJZFHRYCFCKQ-UHFFFAOYSA-N 266.301 -0.001 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@H]2CCSC2)nn1 762554219 KOLFAYMCLSBVBE-LURJTMIESA-N 267.314 -0.228 50 20 CBGD CC(C)CC(=O)NNC(=O)NC[C@H]1CCCS1(=O)=O 765898713 RCFJSRBDKTVYKE-SECBINFHSA-N 291.373 -0.060 50 20 CBGD C[C@H]1CO[C@H](CO)CN1CC(=O)NNC(=O)C(C)(C)C 766942889 HDNBBSXUAPBYHI-UWVGGRQHSA-N 287.360 -0.739 50 20 CBGD Nc1ccc(C(=O)NN=Cc2cn(CC(=O)O)nn2)cc1 768477328 VUFVLFKKLFDDOD-UHFFFAOYSA-N 288.267 -0.291 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)CC(F)(F)F)nn1 768481911 FUMIMJGYTPBVOB-UHFFFAOYSA-N 279.178 -0.235 50 20 CBGD CC(C)CC(=O)NNC(=O)NCc1nnnn1CC1CC1 770497774 IPPKJYOFDQGZGB-UHFFFAOYSA-N 295.347 -0.040 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCS1(=O)=O)C1CCC1 772948019 JABPSGRQHNLDFM-VIFPVBQESA-N 274.342 -0.099 50 20 CBGD CC(=O)c1cc(C(=O)NNC(=O)CO)c(C)nc1C 777178180 QOFUEZSQQVVBIG-UHFFFAOYSA-N 265.269 -0.346 50 20 CBGD O=C(CN1CCC[C@@H]1CCO)NNC(=O)C1CC1 778273162 WHQCEUZHIGRBIH-SNVBAGLBSA-N 255.318 -0.609 50 20 CBGD COC(=O)CNC(=O)NNC(=S)NCC(F)(F)F 779721655 SZJIKWYEEMBCOK-UHFFFAOYSA-N 288.251 -0.600 50 20 CBGD CN(NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C1CC1 819643581 GAJHTPXMSDOBTA-CYBMUJFWSA-N 280.328 -0.168 50 20 CBGD CNC(=S)N(C)NC(=O)/C=C/c1cn(C)cn1 822547273 JGVGZVABRRSSNJ-SNAWJCMRSA-N 253.331 -0.099 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1COCCN1CC(F)F 823873679 GBBOEUCOWTVCRD-VIFPVBQESA-N 281.303 -0.702 50 20 CBGD CCN(CCO)NC(=O)[C@]1(c2ccccc2)CNC(=O)C1 823885183 ZMQLLICBGMMSLI-HNNXBMFYSA-N 291.351 -0.210 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCCCN(C)C1=O 823912201 BVSLCYVJNROMMX-VHSXEESVSA-N 257.334 -0.411 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NNC(=O)C1CCC1 827298015 HKXPFBGZZAIDED-CBAPKCEASA-N 284.316 -0.427 50 20 CBGD CC(=O)NNC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 854154722 GNVWEQZUXKNIHP-CYBMUJFWSA-N 261.281 -0.388 50 20 CBGD CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)c1cn[nH]c1 858170413 JZNFLETVEQVMIJ-JGVFFNPUSA-N 296.331 -0.343 50 20 CBGD C=CC(=O)N(C)CC(=O)NNC(=O)NCC(F)(F)F 861515363 XEFUENRNMKQINP-UHFFFAOYSA-N 282.222 -0.477 50 20 CBGD C[C@H](NNC(=O)[C@@H](C)S(C)(=O)=O)C(F)(F)F 862308949 HDITZNZFUDMMTO-UHNVWZDZSA-N 262.253 -0.009 50 20 CBGD O=C(CC1(O)CCCCC1)NNC(=O)[C@H]1CCC(=O)N1 862454963 LUZIAVNIONPURT-SECBINFHSA-N 283.328 -0.502 50 20 CBGD COc1cccc(O)c1C=NNC(=O)CS(C)(=O)=O 863187842 IJKRHHIRHJKPLN-UHFFFAOYSA-N 286.309 -0.105 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CCc1ccsc1 863459355 OQTWAJWYVOOYKA-UHFFFAOYSA-N 290.366 -0.127 50 20 CBGD CCC[C@H](CCO)NC(=O)c1ccc(B(O)O)cc1 869870224 XJLKXJHGLIOANW-GFCCVEGCSA-N 265.118 -0.353 50 20 CBGD COCCOCC(=O)NNC(=O)C(C)(C)CCOC 869907218 FMTXQZJEEIFTSB-UHFFFAOYSA-N 276.333 -0.141 50 20 CBGD Cc1nn(C)c(C(=O)NNC(=O)NCC2CC2)c1[N+](=O)[O-] 920858809 FQLLIYVWWWMRAN-UHFFFAOYSA-N 296.287 -0.009 50 20 CBGD CCCc1n[nH]cc1C(=O)NNC(=O)C(=O)NC(C)C 1116637506 AXZNXSBDJSQPDJ-UHFFFAOYSA-N 281.316 -0.352 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CCc1ccncc1 1118953185 BVQIFSAEEKEMOU-UHFFFAOYSA-N 285.325 -0.794 50 20 CBGD COC(=O)C(=O)NN=Cc1cnccc1N(C)C 1254196142 FQCXZYVOZIDVJE-UHFFFAOYSA-N 250.258 -0.229 50 20 CBGD O=C(NCCCn1ccnc1)NNC(=O)c1cn[nH]c1 1261921381 SUTRMYFQLUUCAL-UHFFFAOYSA-N 277.288 -0.360 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)C1CCOCC1 1262187264 FMTYDICMKJEJRB-UHFFFAOYSA-N 257.290 -0.961 50 20 CBGD O=C(CC1CC1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1317993647 SVZFINXQNIZEKC-QMMMGPOBSA-N 275.330 -0.696 50 20 CBGD Cc1cc(CNC(=O)NNC(=O)c2cnn(C)c2)no1 1318578892 JKDWQANRROKTMD-UHFFFAOYSA-N 278.272 -0.139 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@]1(C)CCCS1 1319170607 HRIGGOBIVSQZDS-JTQLQIEISA-N 275.330 -0.225 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)NCc1cc[nH]n1 1319170965 JCDJTTDCCRCQFY-UHFFFAOYSA-N 274.284 -0.122 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cn(C)nc1C(C)C 1319270149 RMXCRHUKYWORAC-UHFFFAOYSA-N 295.343 -0.171 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)c1ccc(OC)cc1 1320062276 XEGUEMWPBALIGJ-UHFFFAOYSA-N 279.296 -0.018 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(CC)nn1C 1320595273 GNIDAACXGXSSOD-UHFFFAOYSA-N 296.331 -0.387 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 1323940593 HBOSOXWLZCZNMU-UHFFFAOYSA-N 279.252 -0.436 50 20 CBGD Cn1nncc1NNC(=O)[C@H]1CCCCS1(=O)=O 1324333297 GSNISUIXWIGXMY-SSDOTTSWSA-N 273.318 -0.775 50 20 CBGD CCOCCONC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1326295139 GVRXSZRHMZIKMX-RKDXNWHRSA-N 275.305 -0.290 50 20 CBGD Cc1cccnc1NNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 1328358026 KIOHCMFPJRVVHC-GMTAPVOTSA-N 279.296 -0.754 50 20 CBGD Cn1nncc1NNC(=O)[C@@H](NC(N)=O)C(C)(C)C 1328570163 MCUSTSIXLVMVRS-SSDOTTSWSA-N 269.309 -0.659 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ncccn1 1329673706 ZUKRMKJXHAZZOV-IUCAKERBSA-N 279.300 -0.268 50 20 CBGD O=C(CN1CC[C@@H]2NC(=O)CC[C@H]2C1)NNC(=O)C1CC1 1330576772 PEQLZNWINUTYNQ-QWRGUYRKSA-N 294.355 -0.856 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@H]1CCOC(=O)N1 1331480880 NDZXNZCKLNCKLJ-SECBINFHSA-N 278.268 -0.730 50 20 CBGD O=C(c1cnn2cccnc12)N1CC[C@H](B(O)O)C1 1331825966 FXIDAPZOZDYYQG-QMMMGPOBSA-N 260.062 -0.582 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)CN2CCCC2=O)CCO1 1332708346 UIQYBVSMXVEJET-NXEZZACHSA-N 283.328 -0.429 50 20 CBGD O=C(CCO)NNC(=O)C(=O)Nc1ccccc1 1337981398 OJLOMUBIZGRJOC-UHFFFAOYSA-N 251.242 -0.845 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2CNCCN2C)n1 1343278007 RNCJGLMQDVJJOW-SECBINFHSA-N 280.332 -0.860 50 20 CBGD Cc1cc(C)nc(NNC(=O)CC2(N)COC2)n1 1579589790 CRYZZPKZVWZJAB-UHFFFAOYSA-N 251.290 -0.346 50 20 CBGD O=C(NNC(=O)[C@@H]1CCN1)c1cnc2nccnc2c1 1580736236 PIHNFYBHGZWSMK-QMMMGPOBSA-N 272.268 -0.852 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCC(=O)O 1589418318 YNTJWNGLFBIKSL-RQJHMYQMSA-N 259.262 -0.784 50 20 CBGD C[C@@H](O)CN(C)NC(=O)Cc1ccc(-c2nn[nH]n2)cc1 1590000316 KQJAXTSPVRZNBR-SECBINFHSA-N 290.327 -0.247 50 20 CBGD O=C(NCC#CCO)NNc1cccc(-c2nn[nH]n2)c1 1593004340 NXKUCLHIRPSIMO-UHFFFAOYSA-N 287.283 -0.512 50 20 CBGD O=C(NNC(=O)c1cccnn1)c1c[nH]c(-c2nn[nH]n2)c1 1593158754 CKGMRXXWDZWQRP-UHFFFAOYSA-N 299.254 -0.940 50 20 CBGD CN(C)C(=O)NNC(=O)c1cc(C(=O)O)nn1C 1598139907 GZILKFRJGPPTHT-UHFFFAOYSA-N 255.234 -0.966 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(C(=O)O)n1C 1600675306 RZFIXYUULHRZAT-UHFFFAOYSA-N 291.267 -0.170 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1COc2ccccc2C1 1601552668 DCGKTCHEQUXGLM-QMMMGPOBSA-N 279.252 -0.595 50 20 CBGD C#CC[C@@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)O 1602685178 OHRCCWAFENGZSY-IGLBNKAOSA-N 272.264 -0.080 50 20 CBGD C[C@H](C(=O)NNc1ccc(C(=O)O)cn1)S(C)(=O)=O 1609635826 JLBSWSGSXLYOCU-ZCFIWIBFSA-N 287.297 -0.344 50 20 CBGD Cc1noc(C)c1CCNC(=O)NNC(=O)C(=O)O 1610577220 RXUPFYIUGOGRCS-UHFFFAOYSA-N 270.245 -0.751 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=O)NCc1ccco1 49162538 NDVGAYMKEKHJKD-UHFFFAOYSA-N 284.272 -0.192 50 20 CBGD CCNC(=O)NNC(=O)c1ccc2c(c1)OCC(=O)N2 49165756 UPNUTXBGMXQKLZ-UHFFFAOYSA-N 278.268 -0.019 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(C)C2)o1 84374079 DXPZLHNRXYGKRD-QMMMGPOBSA-N 265.269 -0.173 50 20 CBGD CCN1C[C@@H](C(=O)NNC(=O)NCc2ccco2)CC1=O 122788736 COXNGAJQRWTXLJ-VIFPVBQESA-N 294.311 -0.022 50 20 CBGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)NCC1CC1 139306703 XYZJNQCXKFQQHF-UHFFFAOYSA-N 291.373 -0.202 50 20 CBGD CN(C)CC(=O)NNC(=O)CN(C)C(=O)OC(C)(C)C 265079469 PYBMLPZQJFTFTK-UHFFFAOYSA-N 288.348 -0.438 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C(C)(Cl)Cl 271967233 FLLBNQUQFVPADZ-UHFFFAOYSA-N 270.116 -0.148 50 20 CBGD COC(=O)N(C)CCCC(=O)NNC(=O)[C@@H]1CCCO1 294488384 CBIFYDZRLQZKPA-VIFPVBQESA-N 287.316 -0.209 50 20 CBGD CCc1cc(C(=O)NNC(=O)NCCCOC)[nH]n1 299228276 FKWAWWRLUBEGBL-UHFFFAOYSA-N 269.305 -0.047 50 20 CBGD C[C@H]1C[C@H](O)CN1CC(=O)NNC(=O)c1ccccc1 384933228 IBGVUFKQUZYYPZ-JQWIXIFHSA-N 277.324 -0.097 50 20 CBGD C[C@H](CNC(=O)c1ccc(B(O)O)c(F)c1)N(C)C 584935538 ODWBKLPMUIVHFY-MRVPVSSYSA-N 268.097 -0.815 50 20 CBGD CC[C@@H](C)[C@](C)(O)CNC(=O)c1ccc(B(O)O)cc1 584951077 IBBSQCHXOOBSKR-QMTHXVAHSA-N 279.145 -0.107 50 20 CBGD COC[C@@H]1CCCN1C(=O)c1ccc(B(O)O)c(F)c1 585010089 JJWWFCKXLXRALS-JTQLQIEISA-N 281.092 -0.244 50 20 CBGD OB(O)c1ccc(CNC[C@H](O)CN2CCCC2)c(F)c1 585018039 FXSQSDUJBCVJCM-ZDUSSCGKSA-N 296.151 -0.948 50 20 CBGD COC[C@H](NCc1cccc(B(O)O)c1)[C@@H]1CCCO1 585039101 OMQMCLOCOYGYJL-KBPBESRZSA-N 279.145 -0.350 50 20 CBGD COC[C@@H](NCc1ccc(B(O)O)o1)C1CCOCC1 585046113 RDQKGVXOXOLJJS-GFCCVEGCSA-N 283.133 -0.509 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc2c(c1)CCCC2 585053741 CCPJAAMFISGMTJ-UHFFFAOYSA-N 269.131 -0.144 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc2ncsc2c1 585059343 JZLYZFYFPJBASP-UHFFFAOYSA-N 272.116 -0.413 50 20 CBGD O=C(CCN1C(=O)CCc2ccccc21)NCB(O)O 585060649 UZINDQQTCVNGBU-UHFFFAOYSA-N 276.101 -0.516 50 20 CBGD O=C(Nc1cccc(C(=O)NCB(O)O)c1)NC1CC1 585061801 HGYAGTRAZOIXPK-UHFFFAOYSA-N 277.089 -0.288 50 20 CBGD COc1cccc(C(=O)NNC(=O)[C@@H]2C[C@H]2C(=O)O)c1O 738084569 ZOKHHZZNLMBKEB-HTQZYQBOSA-N 294.263 -0.118 50 20 CBGD CC(CCO)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 749857346 BZBXPSKTPKRUHD-MRVPVSSYSA-N 263.319 -0.769 50 20 CBGD COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)CN(C)C)C1 751061163 VXAOUONOFHLPMP-VHSXEESVSA-N 285.344 -0.325 50 20 CBGD Cc1ccc(C(=O)NNC(=O)NC[C@H]2COCCO2)o1 752363374 VJLQDUIDDLEXOW-VIFPVBQESA-N 283.284 -0.053 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)Cc2cc[nH]n2)CCC1 755268870 NRYIVBIXQNGDBC-UHFFFAOYSA-N 294.311 -0.167 50 20 CBGD COc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)CO 755320947 JJVDVNDPVXYRMR-UHFFFAOYSA-N 284.228 -0.252 50 20 CBGD CCS(=O)(=O)NCC(=O)NNC(=O)c1ccc(C)o1 759310495 VEPBYRFMCSKKOP-UHFFFAOYSA-N 289.313 -0.712 50 20 CBGD O=C(CN1CC[C@@H](N2CCCC2=O)C1)NNC(=O)C1CC1 761115312 RBRAXAZPXZVYIY-LLVKDONJSA-N 294.355 -0.760 50 20 CBGD COCC(=O)NN=Cc1ccc(OCC(N)=O)cc1 761820733 ZIOQLRUPYRTTLX-UHFFFAOYSA-N 265.269 -0.353 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@@]1(OC)CCOC1 764807649 DPHCXQUOARGFJH-NSHDSACASA-N 275.305 -0.841 50 20 CBGD O=C(CO)NNC(=O)CCC(=O)c1ccc(Cl)cn1 769655092 VBJPRQFMDYUDPE-UHFFFAOYSA-N 285.687 -0.162 50 20 CBGD O=C(CO)NNC(=O)CCNc1ccccc1[N+](=O)[O-] 777782082 ZERVVLBNAULTCZ-UHFFFAOYSA-N 282.256 -0.464 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 786826670 GBUKGVDQFWGISQ-HTQZYQBOSA-N 256.306 -0.372 50 20 CBGD COC(=O)[C@@H](CO)NC(=O)/C(C#N)=C/c1ccc(O)cc1 786834235 PSPVDFKEPIXFNN-GCZGVDRJSA-N 290.275 -0.051 50 20 CBGD CSC1(C(=O)NNC(=O)Cc2cc[nH]n2)CC1 789753614 APQBBWDKTLGNND-UHFFFAOYSA-N 254.315 -0.005 50 20 CBGD O=C(NNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccn1 794605044 PPDRUCLWNPOYOU-UHFFFAOYSA-N 276.212 -0.212 50 20 CBGD CO[C@H](C(=O)NNC(=O)NCC1CC1)c1cnn(C)c1 798932209 TUXDEVBNZVEYIT-JTQLQIEISA-N 281.316 -0.152 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(CCO)C[C@@H](C)O 810039991 LCHKTSGHNGKQSE-MNOVXSKESA-N 289.376 -0.757 50 20 CBGD CN(C)c1ncc(C=NNC(=O)C(=O)N2CCCC2)cn1 814825047 VUWZAFCNPRMZME-UHFFFAOYSA-N 290.327 -0.385 50 20 CBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)c1ccc[nH]1 816824392 YCJIBZLOVZRUMV-SSDOTTSWSA-N 288.329 -0.897 50 20 CBGD CC(C)(C)n1nnc(CC(=O)NNc2ncccn2)n1 820934757 IEKUDMPVVFCLAX-UHFFFAOYSA-N 276.304 -0.096 50 20 CBGD CCC[C@@H](C(=O)NNC(=O)NCC1CC1)S(N)(=O)=O 823810036 FNIPOHDOCQVGCA-QMMMGPOBSA-N 292.361 -0.816 50 20 CBGD C[C@H](NC(=S)NNC(=O)C[C@H]1CC(=O)NC1=O)C1CC1 824446175 HWUKEEFNZAYOKF-POYBYMJQSA-N 298.368 -0.667 50 20 CBGD COc1cccc(NNC(=O)[C@H]2CCNC2=O)n1 831882011 PHDMAHJGVUMADZ-ZETCQYMHSA-N 250.258 -0.331 50 20 CBGD CCCN1C[C@H](C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1=O 843662885 VGCAUKPBKCCZES-AXFHLTTASA-N 297.355 -0.183 50 20 CBGD CCCNC(=O)NNC(=O)Cn1nc2n(c1=O)CCCC2 845301724 CPIIHOSHVGJTME-UHFFFAOYSA-N 296.331 -0.879 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)c1c[nH]nc1C 845454032 AULKVOUMNCTLRE-UHFFFAOYSA-N 281.316 -0.359 50 20 CBGD O=C(NNc1ccccc1F)[C@@H]1CCS(=O)(=O)N1 845855159 IAGDCSPFWGJPCV-VIFPVBQESA-N 273.289 -0.040 50 20 CBGD O=C(CCN1CCOC1=O)NNC(=O)c1cccc(F)n1 856423665 APAAZDJTPLBQGR-UHFFFAOYSA-N 296.258 -0.176 50 20 CBGD C[C@@H]1[C@@H](CO)CCCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858702308 HBQQLLIMLBKEQJ-BBBLOLIVSA-N 298.343 -0.901 50 20 CBGD CC(C)[C@H](NC=O)C(=O)NNc1cc(Cl)nc(N)n1 860727485 BIQSCQVAHIIPCQ-QMMMGPOBSA-N 286.723 -0.074 50 20 CBGD CCc1ncsc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862458090 XECUYYQBYGSLFK-ZETCQYMHSA-N 282.325 -0.255 50 20 CBGD CCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1cn[nH]c1 862474048 DLFFQYUENBFDIS-SNVBAGLBSA-N 293.327 -0.038 50 20 CBGD O=C(CCCN1C(=O)CCC1=O)NNC(=O)c1cn[nH]c1 862474281 IVHRUMWKMVZVPP-UHFFFAOYSA-N 293.283 -0.900 50 20 CBGD Cn1ncc2c1CCCC2=NNC(=O)CS(C)(=O)=O 863187951 IVUUMZXGWMZSAW-UHFFFAOYSA-N 284.341 -0.379 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCC2(C1)OCCO2 863874371 QZCCLYLBXUPUOS-UHFFFAOYSA-N 295.075 -0.906 50 20 CBGD CCOC(C)(C)C(=O)NNC(=O)N1CCOCC1 865047050 TUAOOOJNFILFNH-UHFFFAOYSA-N 259.306 -0.126 50 20 CBGD CC(C)[C@@H](CN(C)C)NC(=O)c1cc(B(O)O)ccc1F 865800543 OEOCOJLICUBVLM-CYBMUJFWSA-N 296.151 -0.179 50 20 CBGD CN1CCO[C@H](C(=O)NN(C)C(=O)OC(C)(C)C)C1=O 909935480 KEVOOVDOZCYMAY-MRVPVSSYSA-N 287.316 -0.258 50 20 CBGD Cc1ccn(C[C@@](C)(O)C(=O)NN(C)C[C@@H](C)O)c(=O)c1 910151110 ZVWVNOBJRMLCRR-BXUZGUMPSA-N 297.355 -0.748 50 20 CBGD O=C(CCc1ccoc1)NNC(=O)CN1CCCC1=O 913731250 ANEKDKJMPLEYPH-UHFFFAOYSA-N 279.296 -0.018 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)c1ccncc1 914707295 MHIHGWUJNZEPGE-UHFFFAOYSA-N 250.258 -0.679 50 20 CBGD CCO[C@@H]1C[C@H]1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 916109859 BTCXFUHLIORHJO-GMTAPVOTSA-N 290.385 -0.096 50 20 CBGD NC(=O)C(=O)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O 916272356 OIONJHGJMGSWHH-UHFFFAOYSA-N 286.631 -0.111 50 20 CBGD Cn1cnc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 1116874287 VKXXIBDUXPQRSU-QMMMGPOBSA-N 285.329 -0.760 50 20 CBGD C[C@@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccc[nH]1 1119149952 LEVLHGDYAYRONZ-APPZFPTMSA-N 279.300 -0.315 50 20 CBGD COCCN(C)NC(=O)C1CCN(S(C)(=O)=O)CC1 1261128748 ASYGCWHZBJPUEA-UHFFFAOYSA-N 293.389 -0.733 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCc1ccncc1 1319159170 AMMZRNNWSOIANJ-UHFFFAOYSA-N 266.257 -0.873 50 20 CBGD CNC(=O)c1ccc(NC(=O)NNC(=O)CO)c(C)c1 1320410609 XEVDAGAQFKLBEH-UHFFFAOYSA-N 280.284 -0.500 50 20 CBGD NS(=O)(=O)c1ccccc1NNC(=O)C1=COCCO1 1322273730 QCVVWUUOWBESKN-UHFFFAOYSA-N 299.308 -0.335 50 20 CBGD CSCCNC(=S)NNC(=O)Cc1nnc(C)o1 1324754284 DGXQPSNBNBFEGZ-UHFFFAOYSA-N 289.386 -0.221 50 20 CBGD O=C(NNC(=O)[C@@H]1CC1(F)F)C(=O)Nc1ccccn1 1329035539 FZOJRMFPYCHSHG-LURJTMIESA-N 284.222 -0.177 50 20 CBGD N#Cc1cccc(NNC(=O)CC[C@H]2NC(=O)NC2=O)c1 1330880210 QGGAQOPTFSZOJP-SNVBAGLBSA-N 287.279 -0.010 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1cncnc1 1332468665 IOZLPLVWCIFUFK-ONGXEEELSA-N 278.312 -0.018 50 20 CBGD CN(C)C1(C(=O)NNc2nc(O)c3cnn(C)c3n2)CC1 1334035194 UGOJZWDXSSFZIQ-UHFFFAOYSA-N 291.315 -0.394 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2cccc(F)n2)N1 1336172083 ULGZYRUAEDGAON-MRVPVSSYSA-N 295.274 -0.670 50 20 CBGD NC(=O)C(=O)NN=Cc1cn(-c2ccccc2)nn1 1341143788 FJNZDXUXWMXNOZ-UHFFFAOYSA-N 258.241 -0.797 50 20 CBGD CCC(=O)N1CCC[C@@H](C(=O)NNc2cnnn2C)C1 1343974395 MWPHTIJSAQPABC-SECBINFHSA-N 280.332 -0.093 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CCCC(F)(F)F 1348434683 AHVUCRAPMKDUDH-UHFFFAOYSA-N 290.263 -0.089 50 20 CBGD C[C@H](N)c1nc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cs1 1576176130 SDRSJPHLCHPIAF-NTSWFWBYSA-N 297.340 -0.798 50 20 CBGD COC(=O)c1ccccc1C(=O)NNC(=O)[C@H]1CCN1 1578880920 SLYDWFFNOUBUQQ-SNVBAGLBSA-N 277.280 -0.404 50 20 CBGD Cc1cc(=NNC(=O)[C@@]23CNC[C@@H]2COC3)cc[nH]1 1579637872 GCPRPKBPJOSACV-ZWNOBZJWSA-N 262.313 -0.509 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cnc(C(=O)O)cn1 1589074525 AOPCTVCEWKWNQD-LURJTMIESA-N 254.246 -0.868 50 20 CBGD C=C(C)C[C@@H](NC(=O)c1cccc(B(O)O)c1)C(=O)O 1602754659 QJHOUYNDIBKXDB-LLVKDONJSA-N 277.085 -0.484 50 20 CBGD CC(=O)N[C@H](C(=O)NNC(=O)c1cccn1C)C(C)C 78478391 QETVKLOQLNFBLY-NSHDSACASA-N 280.328 -0.053 50 20 CBGD CNC(=O)CN1CCC(NS(=O)(=O)CCl)CC1 111001939 ZUUQNNQNUVOVME-UHFFFAOYSA-N 283.781 -0.688 50 20 CBGD CC(C)S(=O)(=O)CC(=O)NNC(=O)NC1CC1 143211144 XBWGYFJGGWGNLS-UHFFFAOYSA-N 263.319 -0.698 50 20 CBGD CC(C)NC(=O)NNC(=O)C(=O)N1CCC[C@@H](C)C1 277933925 JOPGDGSBYGUZTO-SECBINFHSA-N 270.333 -0.016 50 20 CBGD CC(C)(C)[C@@H](NC(N)=O)C(=O)NNC(=O)c1ccccn1 282641818 KLBFWWYWNJKPEN-VIFPVBQESA-N 293.327 -0.074 50 20 CBGD CCC(=O)N1CC[C@H](C(=O)NN(C)C(=O)OC)C1 285778473 AQUGWKSJXJYUAE-QMMMGPOBSA-N 257.290 -0.026 50 20 CBGD C[C@H](NC(=O)c1ccoc1)C(=O)NNC(=O)[C@@H]1CCCO1 292106599 ILLRABBHSQTPOI-WPRPVWTQSA-N 295.295 -0.276 50 20 CBGD COCCn1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)n1 293770733 ASCHHDROUYJSDA-ONGXEEELSA-N 296.327 -0.142 50 20 CBGD COc1cncc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)n1 294109403 FBXRPDDLBXXLKC-CBAPKCEASA-N 280.284 -0.186 50 20 CBGD CC(C)NC(=O)NNC(=O)COc1ccc(C(N)=O)cc1 299310414 SPWVPVHVAWCZDC-UHFFFAOYSA-N 294.311 -0.097 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)/C=C\c1ccc[nH]1 491955803 PJDGINNBTSEOOV-WAYWQWQTSA-N 264.285 -0.300 50 20 CBGD CC(C)(C)OC(=O)NCC1(C(=O)NNC(=O)CO)CC1 495353285 SUDORGFQELXDAV-UHFFFAOYSA-N 287.316 -0.569 50 20 CBGD CCn1nnc(C)c1C(=O)Nc1cccc(B(O)O)c1 584912761 WDNKGFBYNKJZOH-UHFFFAOYSA-N 274.089 -0.461 50 20 CBGD N#C[C@@]1(NC(=O)c2cc(B(O)O)ccc2F)CCSC1 584936495 IWFBVVKBDQLGSM-LBPRGKRZSA-N 294.116 -0.365 50 20 CBGD O=C(N[C@@H](CO)CC(F)(F)F)c1ccc(B(O)O)cc1 584968283 ABHJCYCWBCSLQI-SECBINFHSA-N 291.034 -0.591 50 20 CBGD CC[C@H](C)[C@H](CO)NC(=O)c1cc(B(O)O)ccc1F 584969758 OYWCRCKNMRSYIJ-UFBFGSQYSA-N 283.108 -0.358 50 20 CBGD C[C@@H](CN1CCOC[C@@H]1C)NCc1ccc(B(O)O)cc1 585021600 MHCLDQJGEJENQY-STQMWFEESA-N 292.188 -0.435 50 20 CBGD CC(C)N1C[C@H](NCc2ccc(B(O)O)o2)CC1=O 585027431 AAPZFDRPXWOAKO-SECBINFHSA-N 266.106 -0.942 50 20 CBGD C[C@@H](CO[C@H]1CCOC1)NCc1ccc(B(O)O)o1 585030822 JKLUNQMYSMLCTL-ONGXEEELSA-N 269.106 -0.757 50 20 CBGD C[C@H]1C[C@H](NCc2ccc(B(O)O)cc2F)c2ncnn21 585046001 PFOXTMMWNHNHLG-UFBFGSQYSA-N 290.107 -0.107 50 20 CBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H](B(O)O)C1 585074245 LASDXRNQLKOGTG-PWSUYJOCSA-N 290.128 -0.120 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)c2cccn2C)CCC1 729966296 GOJZRPPHVKOOCQ-UHFFFAOYSA-N 278.312 -0.298 50 20 CBGD NC(=O)C1(C(=O)NNc2ccc(Cl)nn2)CC1 735688645 GLBOUBJVBQLFPY-UHFFFAOYSA-N 255.665 -0.161 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC2(C1)OCCO2 741779040 HYPHZNDTKMXTRS-SECBINFHSA-N 271.317 -0.619 50 20 CBGD CCOCCNC(=O)NNC(=O)[C@@H](C)OCCOC 748614676 RJVWBDRSFXBMBO-SECBINFHSA-N 277.321 -0.595 50 20 CBGD CC[C@H](C)NC(=S)NNC(=O)[C@H]1CCS(=O)(=O)C1 749761864 IBKBRNBYYOABSK-YUMQZZPRSA-N 293.414 -0.285 50 20 CBGD COC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)CO)C1 753438747 ITIYLOYJBKKBQV-SFYZADRCSA-N 258.274 -0.895 50 20 CBGD CCOC(=O)[C@H]1CCCN1CC(=O)NNC(=O)C1CC1 767026915 MQRSQICATSZFMP-SNVBAGLBSA-N 283.328 -0.429 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)CO)cc1 777781126 HYURVXKMAVLDBJ-UHFFFAOYSA-N 252.226 -0.774 50 20 CBGD CCC(=O)Nc1cccc(C(=O)NNC(=O)CO)c1 777781588 BRMMLJQASRVMHW-UHFFFAOYSA-N 265.269 -0.212 50 20 CBGD Cc1oc(C(=O)NN=c2cc[nH]cc2)cc1S(N)(=O)=O 781019854 NKVMEZVNIGZCLQ-UHFFFAOYSA-N 296.308 -0.191 50 20 CBGD NC(=O)CSCC(=O)NNc1ccnc(F)c1 781366589 NFGPFMVONBJETN-UHFFFAOYSA-N 258.278 -0.118 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCOC2)CC1 788165822 HFTMLGNHGYAZHA-SECBINFHSA-N 256.306 -0.989 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@H]2CCNC(=O)C2)n1 794080036 KBQWEAGSUFZEIR-VIFPVBQESA-N 276.296 -0.323 50 20 CBGD COC(=O)c1cc(/C=C(/C#N)S(N)(=O)=O)c[nH]1 799893583 IWWOMSNMDROPQV-UQCOIBPSSA-N 255.255 -0.046 50 20 CBGD CN(C)c1ncc(C=NNC(=O)N2CCOCC2)cn1 814821380 SQCXHTDQLLNPBR-UHFFFAOYSA-N 278.316 -0.082 50 20 CBGD O=C(NNC(=O)c1cc(F)c[nH]1)C(=O)N1CCCC1 815162849 JPGYBKVKJIHFED-UHFFFAOYSA-N 268.248 -0.463 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CC(=O)N(C)C1 818386699 CYQNHVBLHBNCFG-CIUDSAMLSA-N 269.301 -0.963 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccc2nnc(S)n2c1 823927858 HPYIZQZCPUTOAX-SSDOTTSWSA-N 281.341 -0.025 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cncn1C 843660278 WEYURQQNWRTZDL-JGVFFNPUSA-N 252.274 -0.394 50 20 CBGD CCNC(=O)CCCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843973772 LRFCWHYYFSXFLJ-NXEZZACHSA-N 285.344 -0.135 50 20 CBGD COCCCNC(=S)N(C)NC(=O)C1(C(N)=O)CC1 854280770 BQYBJRYBCQMQDP-UHFFFAOYSA-N 288.373 -0.874 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@@]1(O)CCOC1)C1CC1 855094353 ARMFEGWPLJRPCA-RDDDGLTNSA-N 273.358 -0.568 50 20 CBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNC(=O)OCC(F)(F)F 856022555 GOOURLCEZQTXSN-QWWZWVQMSA-N 285.178 -0.197 50 20 CBGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)[C@H]1OC 858371999 LDQFSSCZPPAYEF-OPRDCNLKSA-N 297.315 -0.454 50 20 CBGD C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)C(C)(C)O)[C@H]1C 861205836 LSSITHUFDQEXRR-RBXMUDONSA-N 258.318 -0.036 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccnc2ccnn12 861206303 UZGDNOJWRRXLLC-UHFFFAOYSA-N 263.257 -0.739 50 20 CBGD C[C@H](C(=O)NNC(=O)c1cccc(F)n1)[C@@H]1CCC(=O)N1 862236049 HPJRTNYMKKLSMD-YUMQZZPRSA-N 294.286 -0.104 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)N1 862449872 LDYGHZOTDPQHSP-QEYWKRMJSA-N 265.313 -0.151 50 20 CBGD O=C(COC1CCCCC1)NNC(=O)[C@H]1CCC(=O)N1 862450955 FHIBDKRASDQYIM-SNVBAGLBSA-N 283.328 -0.238 50 20 CBGD Cc1cc(=NNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)cc[nH]1 862515958 GVXVNQTUQYFXOV-ZJUUUORDSA-N 264.285 -0.712 50 20 CBGD CCOC(=O)c1cc(C=NNC(=O)[C@H]2CCC(=O)N2)on1 863150287 QVSNUMVXHSGZDG-MRVPVSSYSA-N 294.267 -0.420 50 20 CBGD CC[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(OC)OC 863880843 GYSOPOIQJMLMSR-NSHDSACASA-N 299.107 -0.367 50 20 CBGD COCCOCC(=O)NNC(=S)NCCCN(C)C 865244714 UTWJWNBCRBHFOW-UHFFFAOYSA-N 292.405 -0.904 50 20 CBGD CC(C)(CCl)CS(=O)(=O)NCCn1ncnn1 866961233 XHVOBGRSXUWCJL-UHFFFAOYSA-N 281.769 -0.143 50 20 CBGD COCCOCC(=O)NNC(=O)CCn1nc(C)cc1C 869912995 RSMJLZSHKJIQJR-UHFFFAOYSA-N 298.343 -0.300 50 20 CBGD COCC1(S(=O)(=O)NNC(=O)C(C)C)CC1 882664938 PYCQMLNZGSHXTK-UHFFFAOYSA-N 250.320 -0.228 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)CCNS(C)(=O)=O 899991845 BTHCNMXIJQXCJN-UHFFFAOYSA-N 296.418 -0.781 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCCC12OCCO2 910149298 BUZLCWIZUONEIX-UWVGGRQHSA-N 258.318 -0.127 50 20 CBGD CC(C)C(=O)NNC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 918690246 SNZFNSVMQHJIGO-SNVBAGLBSA-N 295.343 -0.294 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)[C@@H]1CCOC1 921208077 ITHSOVBBDZYLAU-RXMQYKEDSA-N 255.196 -0.084 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cccc[n+]2[O-])n[nH]1 1116406889 ZJEVMISDBFXLRM-UHFFFAOYSA-N 261.241 -0.574 50 20 CBGD COCCCNC(=O)NNC(=O)C(=O)c1cccn1C 1117705696 LAHQLUDYEKKXLG-UHFFFAOYSA-N 282.300 -0.425 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1cnccn1 1261497595 FECQNWCVDZOCIJ-GXSJLCMTSA-N 278.312 -0.018 50 20 CBGD Cc1cc(C)c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(O)n1 1261830206 NQENXVHBZQOPEN-MRVPVSSYSA-N 292.295 -0.556 50 20 CBGD COCCn1cc(C=NNC(=O)C(=O)NC(C)C)cn1 1318776438 JEJKDAQVQOELJF-UHFFFAOYSA-N 281.316 -0.496 50 20 CBGD O=C(NN=Cc1cnc[nH]1)N[C@H]1CCS(=O)(=O)C1 1319495403 DUXUDWCJGFNMLA-ZETCQYMHSA-N 271.302 -0.770 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cnc(C)nc1 1320908208 OOVAJDWGXLIGES-UHFFFAOYSA-N 280.288 -0.584 50 20 CBGD CCc1cc(C(=O)NNC(=O)N2CCN(C)CC2)nn1C 1323356953 OZNXVWCYVJVHCO-UHFFFAOYSA-N 294.359 -0.416 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)s1 1325351393 DQMZXDCDTRMRMN-UHFFFAOYSA-N 293.308 -0.426 50 20 CBGD CN1CCN(C(=O)NNC(=O)C23CCCN2CCC3)CC1 1328233055 XULLQKWITALIPG-UHFFFAOYSA-N 295.387 -0.397 50 20 CBGD N#CC[C@H]1CCCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 1334930605 MSSQFGFMCSCYNF-NXEZZACHSA-N 293.327 -0.369 50 20 CBGD CC(=O)NNC(=O)Cc1csc(N2CCOCC2)n1 1340106040 RFQGJAXQFIBVHD-UHFFFAOYSA-N 284.341 -0.311 50 20 CBGD CNNC(=O)c1cc(S(N)(=O)=O)c(Cl)o1 1578744771 NAWGMNXCZUJXKH-UHFFFAOYSA-N 253.667 -0.555 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)NCC2(N)CC2)cc1 1580064518 OJCLNWZCAHZOST-UHFFFAOYSA-N 273.296 -0.006 50 20 CBGD O=C(NNc1ncc(Cl)cn1)C1=NOC2(CNC2)C1 1580743143 RTDMBBRDLSYHCY-UHFFFAOYSA-N 282.691 -0.309 50 20 CBGD Nc1ccnc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)c1 1592760134 AYBBNBOOIUFMAQ-UHFFFAOYSA-N 297.282 -0.004 50 20 CBGD Cn1cc(C=NNC(=O)C(=O)O)c(Br)n1 1600945861 MJLFBTFGJHFLPR-UHFFFAOYSA-N 275.062 -0.283 50 20 CBGD O=C(NCc1ccc(F)cc1F)NNC(=O)C(=O)O 1601538793 HHARMZSSWWDTEM-UHFFFAOYSA-N 273.195 -0.120 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(C(=O)O)[nH]1 1606018290 WMYJMRXVDFIWCT-UHFFFAOYSA-N 254.246 -0.965 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cc(C(=O)O)ccn2)n[nH]1 1607580777 XPDGEIVAQPZFEH-UHFFFAOYSA-N 289.251 -0.114 50 20 CBGD N#Cc1ccc(C(=O)NNS(=O)(=O)c2cn[nH]c2)cc1 140593820 CYZYIDYUHQCFNU-UHFFFAOYSA-N 291.292 -0.095 50 20 CBGD O=C(CCO)NNC(=O)c1ncn(-c2ccccc2)n1 161141140 DJVFFKGFXQUMNZ-UHFFFAOYSA-N 275.268 -0.589 50 20 CBGD NC(=O)CCCCNS(=O)(=O)CBr 227983083 AEAQQBMGAZKWPB-UHFFFAOYSA-N 273.152 -0.086 50 20 CBGD CCOC(=O)c1cnc(NNC(=O)CNC(C)=O)nc1C 272202492 PSYKNEQSZADSPA-UHFFFAOYSA-N 295.299 -0.459 50 20 CBGD C=CCCCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 273529788 UZOWZIIYMHPYHE-QMMMGPOBSA-N 277.346 -0.572 50 20 CBGD CCN(CC)CC(=O)NNC(=O)C(=O)NC(C)C 299381427 MYOWWJPXEPDXPS-UHFFFAOYSA-N 258.322 -1.000 50 20 CBGD C[C@@H](C[S@@](C)=O)C(=O)Nc1cccc(B(O)O)c1 584914479 XRIBLWPTKQKULE-DCXZOGHSSA-N 269.131 -0.681 50 20 CBGD CCN(C[C@@H]1CCOC1)C(=O)c1cccc(B(O)O)c1 584932712 BXDAZUFZRSRDHK-NSHDSACASA-N 277.129 -0.135 50 20 CBGD CS[C@@H]1CC[C@H]1NC(=O)c1ccc(B(O)O)cc1 584959947 MMZKKGZDRKAZEK-GHMZBOCLSA-N 265.143 -0.010 50 20 CBGD O=C(NC[C@@H](O)C1CC1)c1ccc(B(O)O)c(F)c1 584962145 JANLVVDDBRVCEJ-LLVKDONJSA-N 267.065 -0.994 50 20 CBGD CCO[C@@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)[C@@H]1OC 584976644 SJRKHQPELRQPCG-UPJWGTAASA-N 293.128 -0.711 50 20 CBGD CN(C)C1(CNC(=O)c2ccc(B(O)O)c(F)c2)CCC1 584978967 HAHMSVQSVRISPJ-UHFFFAOYSA-N 294.135 -0.280 50 20 CBGD Cc1ncc2c(n1)CC[C@H](NCc1ccc(B(O)O)o1)C2 585017736 JPYYGGZAOWOJMH-NSHDSACASA-N 287.128 -0.295 50 20 CBGD CC(C)(C)n1ncnc1CNCc1ccc(B(O)O)o1 585043236 ZUNQVJVUQSYXDR-UHFFFAOYSA-N 278.121 -0.404 50 20 CBGD CC(C)NC(=O)[C@@H](C)NCc1ccc(B(O)O)cc1F 585046547 SQOGLVPNNROOOD-SECBINFHSA-N 282.124 -0.492 50 20 CBGD N#Cc1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cc1F 585056356 NNGOSHLVGCTBOV-VIFPVBQESA-N 298.104 -0.065 50 20 CBGD O=S(=O)(CCc1cccc(Cl)c1)NCB(O)O 585059617 UXTDSPPOAYSESX-UHFFFAOYSA-N 277.538 -0.186 50 20 CBGD O=C(CCc1cccc([N+](=O)[O-])c1)NCB(O)O 585060247 OZHVNECJPYVCEA-UHFFFAOYSA-N 252.035 -0.344 50 20 CBGD O=C(NCB(O)O)c1ccc2nc(S)oc2c1 585060620 ULCLQYBOPKCVDL-UHFFFAOYSA-N 252.060 -0.142 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCSCC1 728436439 OREIJONUWSUTRE-ZETCQYMHSA-N 279.387 -0.077 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)NC2CC2)CCC1 729968764 QWQCAHQJGOVPGE-UHFFFAOYSA-N 254.290 -0.605 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@H](C)CN1CCN(C)CC1 730134220 SSDYNNZHUJJDAU-LLVKDONJSA-N 285.392 -0.391 50 20 CBGD CCOC(=O)[C@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 733193862 GHTBWXDBOVNQML-NSHDSACASA-N 297.355 -0.181 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)C[C@@H](C)C(=O)O 736847716 NDHKDJIZHLGRFW-SFYZADRCSA-N 259.306 -0.415 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccc(C(=O)O)cn2)cn1 739021947 DVZJAWGRKGAUGV-UHFFFAOYSA-N 289.251 -0.412 50 20 CBGD CC/C=C(\C)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 747159753 JKVFXXSICCMJMN-SGDMMICCSA-N 289.357 -0.140 50 20 CBGD C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CO 753438934 UQHBHLCLLNZBTI-QMMMGPOBSA-N 263.253 -0.535 50 20 CBGD CC(=O)N[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)C(C)C 755264079 SBDNPXOZKPMGST-LLVKDONJSA-N 281.316 -0.740 50 20 CBGD CNC(=O)NNC(=O)c1c2c(nn1C)CCCC2 765069762 CFGQMGMKEWPYGV-UHFFFAOYSA-N 251.290 -0.127 50 20 CBGD COC(=O)NNC(=O)COCCNC(=O)OC(C)(C)C 765837972 CZRTXTQGLKDWIK-UHFFFAOYSA-N 291.304 -0.085 50 20 CBGD COCCn1ccc(C(=O)NNC(=O)C(C)(C)O)n1 768260282 ACRNFGFRMITOCH-UHFFFAOYSA-N 270.289 -0.939 50 20 CBGD C[C@H]1[C@@H](C)N(C)CCN1CC(=O)NNC(=O)C1CC1 771465754 DCGLZAIIAWXVRA-ZJUUUORDSA-N 268.361 -0.432 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C(C)(C)NC(C)=O 772076782 TVJWPUMGRWGCEZ-SSDOTTSWSA-N 287.316 -0.610 50 20 CBGD COc1nc(C(=O)NNC(=O)CO)cc2ccccc12 777782823 QLFHVUGLLUJFMZ-UHFFFAOYSA-N 275.264 -0.003 50 20 CBGD CC(C)CN1CCN(CC(=O)NNC(=O)C2CC2)CC1=O 778259210 AFSROOBOEFWKPF-UHFFFAOYSA-N 296.371 -0.656 50 20 CBGD CCC1=C(C(=O)NNC(=O)C(=O)NC2CC2)CCCO1 790216051 SYZCLRSQOZDYPA-UHFFFAOYSA-N 281.312 -0.113 50 20 CBGD O=C(CCn1ccnn1)NNc1nc2ccccn2n1 791252143 IQXDITFSKYBNAW-UHFFFAOYSA-N 272.272 -0.146 50 20 CBGD O=C(C[C@H]1CCCOC1)NNC(=O)N1CCOCC1 793272184 FWVDKRZVJFRLTE-SNVBAGLBSA-N 271.317 -0.124 50 20 CBGD COCC(=O)NNC(=O)Nc1cccc2c1CNC2=O 806751981 UPKPUHZVLFUWGS-UHFFFAOYSA-N 278.268 -0.271 50 20 CBGD O=C(NC[C@@H]1COCCO1)NNc1ncncc1F 814285952 SOBNMIMSXVXXBZ-SSDOTTSWSA-N 271.252 -0.343 50 20 CBGD CN(CC(=O)O)CC(=O)NNC(=O)c1ccc(F)cc1 820569162 NJAJUYIIGHWMQO-UHFFFAOYSA-N 283.259 -0.397 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccc(-n2cncn2)nc1 823976836 JXHNNXKVVIIFHJ-VIFPVBQESA-N 276.300 -0.380 50 20 CBGD CC(C)C[C@@H](C(N)=O)C(=O)NNC(=O)c1ccccn1 839458935 XWVDBPZOGGXJPG-VIFPVBQESA-N 278.312 -0.010 50 20 CBGD CC(C)C[C@H](C(N)=O)C(=O)NNC(=O)[C@H]1CCCCO1 839781592 UVINKFOPMFWBOM-NXEZZACHSA-N 285.344 -0.150 50 20 CBGD COc1cc(C)nc(NNC(=O)NC[C@H](C)N)n1 841983634 DJXPBNNUUSIGRB-LURJTMIESA-N 254.294 -0.233 50 20 CBGD CCN1C[C@@H](CNC(=O)NNc2cccnn2)CC1=O 845491738 BOXSIFPOLFMRHM-SECBINFHSA-N 278.316 -0.029 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)C(C)(C)CO 854388413 JQFRPTADIICPIU-UHFFFAOYSA-N 276.333 -0.059 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CCc2n[nH]cc2C1 854923215 MXITYMZPGJSINB-SSDOTTSWSA-N 267.358 -0.018 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)C1=NN2CCCN=C2N1 855000893 QAFFIZHNOWMNQA-UHFFFAOYSA-N 292.221 -0.935 50 20 CBGD CCOC(=O)[C@H](CC)C(=O)NNc1cnnn1C 857270512 FLKSXTAIIRAHJB-SSDOTTSWSA-N 255.278 -0.153 50 20 CBGD COc1ccc(NNC(=O)[C@]2(O)CCOC2)nc1 857490883 SUOJCQCRNZDCMS-NSHDSACASA-N 253.258 -0.315 50 20 CBGD Cc1cocc1C(=O)NNC(=O)C(=O)NC(C)C 858168328 REZGVPSUHBSQNF-UHFFFAOYSA-N 253.258 -0.126 50 20 CBGD C=CCSCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858176039 IPBGGHZLWBKUQO-QMMMGPOBSA-N 286.357 -0.485 50 20 CBGD CCNC(=O)[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)C(C)C 858489033 QJFDWJRTQMSMEO-VIFPVBQESA-N 296.331 -0.486 50 20 CBGD C[C@@]1(C(=O)NNC(=O)c2cn[nH]c2)CCCOC1 862470994 NBQOSZXGAFWKFK-LLVKDONJSA-N 252.274 -0.013 50 20 CBGD CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)C(=O)NC1CC1 862994004 RUSJSPXRCWZTJM-VIFPVBQESA-N 282.344 -0.715 50 20 CBGD CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)N1CCOCC1 863505760 QVKXJQSWCHNCHT-JTQLQIEISA-N 284.360 -0.068 50 20 CBGD COCCOCC(=O)NN[C@H](C(=O)OC)c1cccnc1 871899065 KPABAAKFIRERFG-LBPRGKRZSA-N 297.311 -0.421 50 20 CBGD O=Cc1ccc(OCC(=O)N2CC[C@H](B(O)O)C2)cc1 874969810 LYPXCTCOKWSVNT-NSHDSACASA-N 277.085 -0.047 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@]1(C)CCNC1=O 887151838 MBKCDDWVWAJBAZ-LBPRGKRZSA-N 251.286 -0.537 50 20 CBGD O=C(NCCN1CCOCC1)NNC(=O)c1ccc[nH]1 915884875 OQBIYKCYKGTGGN-UHFFFAOYSA-N 281.316 -0.709 50 20 CBGD Cn1cccc1C(=O)NNC(=O)C[C@H]1COC(=O)C1 1116286219 NUYIOJMNWJVQHR-MRVPVSSYSA-N 265.269 -0.261 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1ccnn1C 1118173281 YCOLAMFCPGZDLJ-HTQZYQBOSA-N 288.329 -0.845 50 20 CBGD O=C(/C=C\[C@@H]1CCOC1)NNC(=O)[C@H]1CCC(=O)N1 1118884223 COANHOVXXHIDIE-FYBVNBSYSA-N 267.285 -0.995 50 20 CBGD CC(C[C@H]1CCC(=O)N1)=NNC(=O)[C@@H]1CCC(=O)N1 1118889566 MPKKLTYNXMASQB-BDAKNGLRSA-N 266.301 -0.574 50 20 CBGD COC(=O)NNS(=O)(=O)c1ccc(C(=O)OC)nc1 1319963046 MFEGUDDXBLRAOP-UHFFFAOYSA-N 289.269 -0.583 50 20 CBGD CC(=O)NNC(=O)c1csc(S(N)(=O)=O)c1 1320554909 GRNBWWGKRSEENF-UHFFFAOYSA-N 263.300 -0.824 50 20 CBGD Cn1cc(C(=O)NNC(=O)Cc2ccn(C)n2)cn1 1326625679 CQEPRZKZYGDKQE-UHFFFAOYSA-N 262.273 -0.843 50 20 CBGD CCn1ccc(CC(=O)NNc2ccc(C(N)=O)nn2)n1 1326892036 BHUVLCMOQIFAFW-UHFFFAOYSA-N 289.299 -0.522 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CCO[C@H]1c1ccncc1 1327429479 UWMUBFUQYBRPPX-KOLCDFICSA-N 265.269 -0.701 50 20 CBGD C[C@@H](NC(=S)NNC(=O)c1cn(C)nn1)C1CC1 1328373492 RVPWGRPDSUKBEI-ZCFIWIBFSA-N 268.346 -0.278 50 20 CBGD CO[C@H]1CCC[C@H]1C(=O)NNC(=O)Cc1cc[nH]n1 1336343266 ZWRFHPNPSURTIC-ZJUUUORDSA-N 266.301 -0.085 50 20 CBGD Cc1cccc(C(=O)NNS(=O)(=O)c2ccn(C)n2)n1 1344415814 LLFPKBPGLZHMAZ-UHFFFAOYSA-N 295.324 -0.253 50 20 CBGD O=C(c1ncc2n1CCCC2)N1CC[C@H](B(O)O)C1 1348489825 DOJXNBKOSCBMGV-VIFPVBQESA-N 263.106 -0.092 50 20 CBGD Cc1cc(=O)c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c[nH]1 1349454587 AJONVRSEGCWMME-DTWKUNHWSA-N 279.296 -0.131 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NC2CCSCC2)N1 1352360847 PKRJUKFGHMZUAH-QMMMGPOBSA-N 286.357 -0.509 50 20 CBGD C#CCCCC(=O)NN=Cc1cn(CC(=O)O)nn1 1602701277 DPRHUVRMQNVGLZ-UHFFFAOYSA-N 263.257 -0.384 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CC[C@H](C(=O)O)C1 1605388352 NFBBHAVFMQDQIU-SFYZADRCSA-N 280.284 -0.020 50 20 CBGD O=C(Nc1c[nH]nc1C(=O)O)c1cc(B(O)O)ccc1F 1605839916 APMVBBDCVKKLJE-UHFFFAOYSA-N 293.019 -0.821 50 20 CBGD O=C(NNC(=O)C1CC1)c1ccc(-c2nn[nH]n2)o1 1609558260 XUJMBRAHCJLATG-UHFFFAOYSA-N 262.229 -0.369 50 20 CBGD O=C(NC[C@H]1COC2(CCCC2)O1)NNC(=O)C(=O)O 1610689684 CRHBLGPYCZXKAZ-ZETCQYMHSA-N 287.272 -0.913 50 20 CBGD O=C(CN1CCCNCC1)NNC(=O)c1ccccc1 36964295 QSOOTXIAAMNAMW-UHFFFAOYSA-N 276.340 -0.257 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C1(C)COC1 273099422 UIABCARPNJDSEI-UHFFFAOYSA-N 271.317 -0.525 50 20 CBGD COCCOc1cc(C(=O)NNC(=O)C(C)(C)O)ccn1 277997244 QJVNRAOIYAEQFX-UHFFFAOYSA-N 297.311 -0.361 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 290442839 HXTCRTZYJHGDOV-LPEHRKFASA-N 285.369 -0.281 50 20 CBGD COC(=O)NCCCC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 293831743 GCBZUYBZJNROBP-IUCAKERBSA-N 287.316 -0.163 50 20 CBGD CO[C@]1(C(=O)Nc2cccc(B(O)O)c2)CCOC1 405058539 NOHPXDPAWSAONK-GFCCVEGCSA-N 265.074 -0.890 50 20 CBGD C/C=C/C=C\C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 490552850 VXFIBKNTTSJSNI-NUTWUSADSA-N 272.326 -0.299 50 20 CBGD CC(C)N1CCCN(C(=O)c2cccc(B(O)O)c2)CC1 584940252 RYGPAVUADDPQFG-UHFFFAOYSA-N 290.172 -0.077 50 20 CBGD C[C@H](O)C1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584950681 YLRDWKGVSDIBHB-VIFPVBQESA-N 295.119 -0.262 50 20 CBGD CCc1nc([C@@H](C)NC(=O)c2cccc(B(O)O)c2)n[nH]1 584967718 BGEJIEZIUQVORQ-MRVPVSSYSA-N 288.116 -0.462 50 20 CBGD C[C@@H](O)CCCNC(=O)c1ccc(B(O)O)c(F)c1 584982895 KRIFGFLFIROTDC-MRVPVSSYSA-N 269.081 -0.604 50 20 CBGD C[C@H](CNC(=O)c1cccc(B(O)O)c1)CN(C)C 584992882 SEJMSKVXEVXZDU-SNVBAGLBSA-N 264.134 -0.706 50 20 CBGD CCNC(=O)C(C)(C)NC(=O)c1cc(B(O)O)ccc1F 584997703 HWTPNRLBWXSWLS-UHFFFAOYSA-N 296.107 -0.850 50 20 CBGD CCO[C@@H]1C[C@H](NCc2cccc(B(O)O)c2)[C@H]1OC 585035480 UUCRAFJUKWKZDS-BFHYXJOUSA-N 279.145 -0.352 50 20 CBGD CCOC1CC(O)(CNCc2cccc(B(O)O)c2)C1 585038377 BUWWLCMGDASGIO-UHFFFAOYSA-N 279.145 -0.614 50 20 CBGD C[C@H]1CN([C@@H](C)CNCc2ccc(B(O)O)o2)C[C@@H](C)O1 585045054 AIOITGBMONZUGD-SDDRHHMPSA-N 296.176 -0.453 50 20 CBGD CO[C@H](CC(C)C)CS(=O)(=O)N1CC[C@@H](B(O)O)C1 585055602 BVHCCVXIBPAWDP-GHMZBOCLSA-N 293.194 -0.074 50 20 CBGD C[C@H](C1CC1)N(C)S(=O)(=O)N1CC[C@@H](B(O)O)C1 585057523 GGJYAYOKSKFXCV-PSASIEDQSA-N 276.167 -0.490 50 20 CBGD O=C(NCB(O)O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 585059040 XTTHZJKSVULXGP-UHFFFAOYSA-N 279.061 -0.089 50 20 CBGD CN1CCN(S(=O)(=O)CCCCCl)[C@H](CO)C1 699500181 NQEFNEKDTVDKQZ-JTQLQIEISA-N 284.809 -0.057 50 20 CBGD CCOCC(=O)NNC(=O)NCCOC[C@@H]1CCOC1 731763309 VQWYELXOSWNRRY-SNVBAGLBSA-N 289.332 -0.594 50 20 CBGD CO[C@H](C)C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 732262390 SBDLCVYDZXMUOG-GMTAPVOTSA-N 287.360 -0.332 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@H]1C[C@H]2CC[C@H]1O2 733776684 OUPQTXUMRIZRBR-KXUCPTDWSA-N 269.301 -0.373 50 20 CBGD O=C(CNC(=O)c1ccncc1)NNc1cnccn1 734244332 HCOLJULZXHOODB-UHFFFAOYSA-N 272.268 -0.255 50 20 CBGD CC[C@H]1C(=O)NCCN1[C@H](C)C(=O)NNC(=O)CC(C)C 738327147 WFBUHTPRCWJVCB-MNOVXSKESA-N 298.387 -0.221 50 20 CBGD CON(C)S(=O)(=O)c1cccc(C(=O)NN)c1 743790460 WUKLPNAOSOZRBC-UHFFFAOYSA-N 259.287 -0.528 50 20 CBGD CCC[C@@H](O)CC(=O)NNC(=O)CNC(=O)c1ccco1 750275693 GKBCKNKGHQNBLJ-SECBINFHSA-N 297.311 -0.292 50 20 CBGD CC(C)[C@H](C(=O)NNC(=O)CO)N1C[C@@H](C)O[C@H](C)C1 753444517 NCPIOIVHAXVBMN-CKYFFXLPSA-N 287.360 -0.740 50 20 CBGD C[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)N1CCSCC1 755269659 VFBMREKARAVIKJ-SECBINFHSA-N 297.384 -0.463 50 20 CBGD CCOc1ncccc1NC(=O)C(=O)NNC(=O)COC 764303486 LWLSAIRSLFVTDY-UHFFFAOYSA-N 296.283 -0.787 50 20 CBGD Cc1ncc(C(=O)NNC(=O)c2cccnc2)c(N)n1 769463696 CUSPLBAMKOVIKJ-UHFFFAOYSA-N 272.268 -0.163 50 20 CBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)CCC1CC1 770633905 KJOOUFAMFLKIOQ-UHFFFAOYSA-N 277.346 -0.738 50 20 CBGD CCNC(=O)NN=C(C)c1cn(CC(=O)OC)nn1 772839372 CZCCRVHGPOAKBM-UHFFFAOYSA-N 268.277 -0.506 50 20 CBGD CCc1nn(C)cc1C=NNC(=O)NCC(=O)OC 779820657 HZIHUAFTPOOZBJ-UHFFFAOYSA-N 267.289 -0.211 50 20 CBGD COCCCNC(=O)NNC(=O)CCC(C)(C)O 787208613 OSXWQSYVVJQEEO-UHFFFAOYSA-N 261.322 -0.096 50 20 CBGD CC(C)(C(=O)NNC(=O)C1CC1)N1CCOCC1 788264704 WWUHZGKEOMVWNB-UHFFFAOYSA-N 255.318 -0.345 50 20 CBGD Cn1cnc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)n1 809950110 KCMWJPQDMIYCRD-UHFFFAOYSA-N 289.251 -0.381 50 20 CBGD Cn1cnc(C(=O)NNC(=O)c2ccc(C#N)cc2)n1 810268643 XHKUAJNLNBOISN-UHFFFAOYSA-N 270.252 -0.238 50 20 CBGD C=C[C@@](C)(O)CC(=O)NNC(=O)c1cc(C)[nH]n1 810584316 OBKJZLBHYMIVIM-LLVKDONJSA-N 252.274 -0.194 50 20 CBGD COC(=O)c1cc(/C=C(/C#N)S(N)(=O)=O)cn1C 811690764 HGVARPWXYSNLHN-BAQGIRSFSA-N 269.282 -0.035 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)c2cc(C)[nH]n2)[nH]1 815887223 YNRYHMVRDRANDG-UHFFFAOYSA-N 291.267 -0.092 50 20 CBGD CCOc1ccc(NNC(=O)[C@@H](CO)NC(N)=O)cc1 817885543 CPDSHEQALBXRQO-SNVBAGLBSA-N 282.300 -0.442 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCCN1c1ncccn1 823912397 FDSWBWMAOLAFFV-GHMZBOCLSA-N 279.344 -0.211 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cnn(C)c1 826846302 NLJIIVUIUBEZIW-IONNQARKSA-N 267.289 -0.002 50 20 CBGD CC(C)(CC(=O)O)CC(=O)NNC(=O)[C@@H]1COCCO1 833454869 WFJCDPHVRQAMAY-QMMMGPOBSA-N 288.300 -0.560 50 20 CBGD Cc1ncc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(N)n1 844146918 SHXGUJKBQOGRMD-XPUUQOCRSA-N 279.300 -0.447 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)NCC(F)(F)F 847116661 PPTYDJUJKJUARS-YFKPBYRVSA-N 273.211 -0.460 50 20 CBGD CC(=O)NC[C@H]1CCCCN1CC(=O)NNC(=O)C(C)C 860179812 GCHLPAQXPFJPED-GFCCVEGCSA-N 298.387 -0.220 50 20 CBGD Cc1csc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 860248277 UQZXWPNMORFKAR-ZCFIWIBFSA-N 283.313 -0.117 50 20 CBGD C[C@@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccco1 862456878 VVBXHKJZBRCTSK-SFYZADRCSA-N 265.269 -0.191 50 20 CBGD O=C(CNC(=O)C1CCCCC1)NNC(=O)c1cn[nH]c1 862474743 ZHFWEHBZQPUXPV-UHFFFAOYSA-N 293.327 -0.133 50 20 CBGD COCCOCC(=O)NNC(=O)C1=C(C)OCCC1 869907988 HNSBPAZZKFJZPQ-UHFFFAOYSA-N 272.301 -0.119 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CSCCS1 869910542 USFNBCPKIQWMKF-MRVPVSSYSA-N 294.398 -0.355 50 20 CBGD COC(=O)[C@H]1[C@@H](O)CCCN1S(=O)(=O)CCCCl 882105043 QZEHWKGERDOHSN-DTWKUNHWSA-N 299.776 -0.057 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H]2[C@@H](O)CC[C@H]2C1 886575144 HIPFXFBPGWVVHF-MMWGEVLESA-N 269.345 -0.365 50 20 CBGD CCn1cc(C=NNC(=O)[C@H](C)CN2CCOCC2)nn1 901155026 JEBQSRDSSWJILR-LLVKDONJSA-N 294.359 -0.284 50 20 CBGD CCCNC(=O)NNC(=O)CS(=O)(=O)CC 921038652 ZPZCAOHKIJVUFE-UHFFFAOYSA-N 251.308 -0.839 50 20 CBGD CS(=O)(=O)CCNC(=O)NNC(=O)CC(F)(F)F 1115973543 RVFWFGHGYKWPBN-UHFFFAOYSA-N 291.251 -0.686 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)Cc2ccncc2)o1 1116337383 IEEMTSBJKIWUIP-UHFFFAOYSA-N 288.263 -0.223 50 20 CBGD COc1nccnc1NNC(=O)CO[C@@H]1CCOC1 1116625188 WGOBZDPOPNDESY-MRVPVSSYSA-N 268.273 -0.266 50 20 CBGD O=C(CCc1nc[nH]n1)NNC(=O)NCC1CC1 1252628030 CXUNQRIPCNOEEC-UHFFFAOYSA-N 252.278 -0.522 50 20 CBGD O=C(CC[C@@H]1CCOC1)NNC(=O)C(=O)NC1CC1 1252658324 YRSPLFFNUBEQPS-MRVPVSSYSA-N 269.301 -0.771 50 20 CBGD O=C(CCl)NCCS(=O)(=O)N1CCSCC1 1253963406 QENYGBOAEZZKAL-UHFFFAOYSA-N 286.806 -0.280 50 20 CBGD COc1ccc(/C=C(/C#N)C(N)=O)cc1OCC(N)=O 1317704747 RRUFESBMHNOPFC-WTKPLQERSA-N 275.264 -0.048 50 20 CBGD NC(=O)[C@@H]1CC[C@H](CNC(=O)NNc2cccnn2)O1 1319284216 MJHRTQYHRDLTPI-SFYZADRCSA-N 280.288 -0.864 50 20 CBGD CO[C@H](C)C(=O)NNc1nc(O)c2cnn(C)c2n1 1319878319 JZMATJSUZZIWHK-RXMQYKEDSA-N 266.261 -0.453 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCO[C@H](C)C1 1319972037 FBKSLCVYXSHYLD-RQJHMYQMSA-N 259.262 -0.943 50 20 CBGD O=C(CCn1cncn1)NNc1ncnc2[nH]cnc12 1322144771 PCJBAVHHTFYDQG-UHFFFAOYSA-N 273.260 -0.522 50 20 CBGD CCc1ccnc(C(=O)NNC(=O)C(=O)NC2CC2)c1 1324906989 MHCPXUMTVILNHU-UHFFFAOYSA-N 276.296 -0.316 50 20 CBGD CSSCCNC(=O)C(=O)Nc1cnnn1C 1325903725 QSFDNOMVCGRPCE-UHFFFAOYSA-N 275.359 -0.119 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1cncn1C 1326348380 OIZOBAHHZKPRLI-GXSJLCMTSA-N 280.328 -0.075 50 20 CBGD Cc1oc(C#N)cc1C(=O)NNC(=O)C(=O)NC1CC1 1326960825 DYCNEINLIWDJBA-UHFFFAOYSA-N 276.252 -0.501 50 20 CBGD COC1CCN(S(=O)(=O)NNC(=O)N(C)C)CC1 1330123367 NRBXMRTWQDYDIY-UHFFFAOYSA-N 280.350 -0.882 50 20 CBGD CC(C)NC(=O)NNC(=O)c1nc2ncccn2n1 1330238267 SHYSSRXTJJBQOI-UHFFFAOYSA-N 263.261 -0.523 50 20 CBGD O=C(Cc1cccc(O)c1)NNC(=O)[C@H]1CCC(=O)N1 1331692194 UNZIOCAZVAGWJE-SNVBAGLBSA-N 277.280 -0.639 50 20 CBGD COCCn1cc(C(=O)NN(C)[C@H](C)CO)c(=O)cc1C 1332468628 FXQGMKLTFTVPLE-LLVKDONJSA-N 297.355 -0.239 50 20 CBGD Cn1ncc(C(=O)N2CC[C@@H](B(O)O)C2)c1C1CC1 1335433449 QCIPKJTVCANXQK-SECBINFHSA-N 263.106 -0.014 50 20 CBGD CC1=C(C(=O)NNC(=O)CCO)CCN1C(C)C 1337778453 OHHBZDXHCSNANP-UHFFFAOYSA-N 255.318 -0.096 50 20 CBGD CN(C)C(=O)NNC(=O)CS[C@H]1CCS(=O)(=O)C1 1337966038 DREHJZOAZJTQOI-ZETCQYMHSA-N 295.386 -0.791 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCc2nncn2C1 1344081890 MQGJVLJTSXODAM-QMMMGPOBSA-N 289.299 -0.667 50 20 CBGD Cn1cc([C@@H]2OCCC[C@@H]2C=NNC(=O)CO)cn1 1552448501 DYJKUQPDUZGMGX-BXKDBHETSA-N 266.301 -0.018 50 20 CBGD Cn1cccc1C(=O)NNC(=O)C1=NO[C@]2(CCNC2)C1 1579975369 ZAMARXKRVAHQHW-CYBMUJFWSA-N 291.311 -0.706 50 20 CBGD O=C(CCCc1nc(C2CC2)no1)NNC(=O)[C@H]1CCN1 1580532616 QBUSXXNFNYQXFN-SECBINFHSA-N 293.327 -0.221 50 20 CBGD C[C@@H](C(=O)O)C(=O)NNc1cc(Cl)nc(N)n1 1588573971 QBJMUNWXIXWOEY-GSVOUGTGSA-N 259.653 -0.124 50 20 CBGD CC(=O)NNS(=O)(=O)c1cccc(CC(=O)O)c1 1589150423 QKEACOMMCDHECW-UHFFFAOYSA-N 272.282 -0.357 50 20 CBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)CC(=O)O 1589692989 WAIHXUWYEBCZOT-UHFFFAOYSA-N 287.316 -0.449 50 20 CBGD CCN(CCO)NC(=O)c1cc(C(=O)O)nn1C 1589733597 BNQAHXLJIVDPNZ-UHFFFAOYSA-N 256.262 -0.923 50 20 CBGD C[C@H](NC(=O)NNC(=O)C(=O)O)c1nnc2ccccn12 1593101921 NMHIHZMHPMHEKL-LURJTMIESA-N 292.255 -0.795 50 20 CBGD CNC(=O)NCC(=O)NNc1ccc(C(=O)O)cc1OC 1598651358 JJJJZAMHGZHPRT-UHFFFAOYSA-N 296.283 -0.235 50 20 CBGD O=C(NC[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12)NNC(=O)C(=O)O 1601478612 IEWASFJANSWJDU-VRGHQRLXSA-N 267.285 -0.307 50 20 CBGD O=C(NNC(=O)[C@H]1CCCC[C@H]1C(=O)O)c1cnn[nH]1 1601555957 NLFKDPAPTFSORC-NKWVEPMBSA-N 281.272 -0.543 50 20 CBGD CNC(=O)NNC(=O)c1cc(O)cc(-c2nn[nH]n2)c1 1609288946 WPJCOCMALMKHJD-UHFFFAOYSA-N 277.244 -0.854 50 20 CBGD CS(=O)(=O)/C(C#N)=C\c1cn(CC(=O)O)nn1 1777395603 YTTJXCXOOQNREB-UQCOIBPSSA-N 256.243 -0.728 50 20 CBGD C[C@@H](O)c1cn(CC(=O)NNc2ccccn2)nn1 163417987 SLARCRKKDPRZTP-MRVPVSSYSA-N 262.273 -0.130 50 20 CBGD CN(C)C/C=C/C(=O)NNC(=O)N1CCOCC1 265606460 DJFTXAUFOJBTSO-ONEGZZNKSA-N 256.306 -0.823 50 20 CBGD CCNC(=O)N(C)NC(=O)CNC(=O)C(C)(C)C 271249853 DNVZLJMSFDUUDJ-UHFFFAOYSA-N 258.322 -0.159 50 20 CBGD CNC(=O)NCCC(=O)NNc1cccc(OC)n1 293417077 HXSOPGAKIIEKCW-UHFFFAOYSA-N 267.289 -0.148 50 20 CBGD Cn1cnn(CCC(=O)NNc2cccc(F)n2)c1=O 293787263 ZQKQQTDOAHHVRE-UHFFFAOYSA-N 280.263 -0.351 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)c1cn(CC2CC2)nn1 584911122 GEOGFGIXZIHDPK-UHFFFAOYSA-N 286.100 -0.380 50 20 CBGD O=C(NC[C@@H](O)C1CCCC1)c1cccc(B(O)O)c1 584959493 HPGMUVYEHQTLOO-CYBMUJFWSA-N 277.129 -0.353 50 20 CBGD CCc1nn(C)cc1CNC(=O)c1ccc(B(O)O)cc1 584970584 QKYMMHVSNCHUSK-UHFFFAOYSA-N 287.128 -0.408 50 20 CBGD CCO[C@@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)[C@@H]1OC 584973489 AFLWWAOKPHADHZ-UPJWGTAASA-N 293.128 -0.711 50 20 CBGD CN1CC[C@@H]2CN(C(=O)c3cc(B(O)O)ccc3F)C[C@@H]21 585000671 ZLDIZISIOXRIMC-RNCFNFMXSA-N 292.119 -0.718 50 20 CBGD OCCCSCCNCc1ccc(B(O)O)o1 585020979 CYJRYLYBOJDLCD-UHFFFAOYSA-N 259.136 -0.835 50 20 CBGD C[C@]1(CO)CCC[C@H]1NCc1ccc(B(O)O)o1 585027345 QUMJGYJIYOVZKY-ZYHUDNBSSA-N 253.107 -0.400 50 20 CBGD CCO[C@@H]1C[C@H](NCc2ccc(B(O)O)cc2F)[C@@H]1OC 585034611 KLFGECIREBVRGT-MJBXVCDLSA-N 297.135 -0.213 50 20 CBGD OB(O)c1ccc(CNc2ccn(CC(F)(F)F)n2)o1 585035015 XBSOOHOTSFFCLB-UHFFFAOYSA-N 289.022 0.330 50 20 CBGD OB(O)c1ccc(CNCCC2(O)CCOCC2)c(F)c1 585040183 GYUAMRZLZVNVKU-UHFFFAOYSA-N 297.135 -0.473 50 20 CBGD O=C(NCB(O)O)c1ccc(OC[C@H]2CCCO2)cc1 585056652 SLEMDCXRDNJVFO-GFCCVEGCSA-N 279.101 -0.014 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCCC[C@H]1C(N)=O 732197140 MKLRTLNCPBDASI-MNOVXSKESA-N 298.387 -0.092 50 20 CBGD O=C(CSc1nnc(O)nc1O)NN=Cc1cc[nH]c1 745199904 JRQPRZKMJKCVLZ-UHFFFAOYSA-N 294.296 -0.147 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H](O)c2ccccc2)cn1 746282195 MQNDZTAJWFEJJS-NSHDSACASA-N 274.280 -0.085 50 20 CBGD NC(=O)CCCC(=O)NNC(=O)c1ccccn1 746308606 XHNHYBFWLOPJIS-UHFFFAOYSA-N 250.258 -0.502 50 20 CBGD Cc1nnc(NC(=O)NNC(=O)Cc2cc[nH]n2)s1 755428248 NNWNMFFKIQPJPT-UHFFFAOYSA-N 281.301 -0.035 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cccc(=O)n1C 756980532 NYIDVRYIXIGQOL-UHFFFAOYSA-N 275.268 -0.508 50 20 CBGD C#CCNC(=S)NNC(=O)[C@@H](C)CN1CCOCC1 758180360 JKOHIRXYIZGQQW-JTQLQIEISA-N 284.385 -0.917 50 20 CBGD COC(=O)[C@@]1(C)CCN(CC(=O)NNC(=O)C2CC2)C1 759783048 FBZDUMQMXVSZPO-ZDUSSCGKSA-N 283.328 -0.571 50 20 CBGD O=C(NNC(=O)C1CC1)C(=O)Nc1ccc2c(c1)OCO2 763558438 PKTSEWNVAJDYLF-UHFFFAOYSA-N 291.263 -0.089 50 20 CBGD CNC(=O)Cn1nc(NC(=O)NNC(=O)C2CC2)cc1C 764677758 SVNLJMSDDFROCU-UHFFFAOYSA-N 294.315 -0.500 50 20 CBGD Cc1noc(CCC(=O)NNC(=O)N2CCN(C)CC2)n1 773673226 MSXSLVYEZKVXJZ-UHFFFAOYSA-N 296.331 -0.701 50 20 CBGD Cc1cc(NC(=O)NNC(=O)CN(C)C)nn1CCC#N 775698852 JOAZCEPXWCZDFS-UHFFFAOYSA-N 293.331 -0.181 50 20 CBGD O=C(CO)NNC(=O)c1cnc(C(F)(F)F)nc1 779405083 ZRYMKVDHQJCWJH-UHFFFAOYSA-N 264.163 -0.751 50 20 CBGD COc1cccc(NNC(=O)CN(C)S(C)(=O)=O)n1 780772402 LIAOPAHOXXVQBK-UHFFFAOYSA-N 288.329 -0.575 50 20 CBGD CNC(=O)[C@H]1CCC[C@H]1NCC(=O)NNC(=O)C1CC1 794576160 HFNKCNZJWQLMKB-VHSXEESVSA-N 282.344 -0.952 50 20 CBGD C=CCNC(=S)NNC(=O)c1ccn(CCOC)n1 798305494 RZFIEIQCDCHLCO-UHFFFAOYSA-N 283.357 -0.176 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccnc3c2ncn3C)cn1 805184321 LYDDWDWLMMJYSJ-UHFFFAOYSA-N 299.294 -0.223 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)Cc1cc[nH]n1 807370316 YREIACZRHXQOPA-UHFFFAOYSA-N 284.316 -0.111 50 20 CBGD COC[C@H](C)[C@H](C)C(=O)NNc1ccc(C(N)=O)nn1 812532258 MVQFQKUGMRSTAN-YUMQZZPRSA-N 281.316 -0.063 50 20 CBGD O=C(CC1CCCC1)NN=C1C(=O)NC(=O)NC1=O 814219307 LNWXERODIZYKOS-UHFFFAOYSA-N 266.257 -0.595 50 20 CBGD O=C(CN1CCCC1=O)NN=C1CCS(=O)(=O)CC1 814761506 YEUWSJRORMTWDK-UHFFFAOYSA-N 287.341 -0.710 50 20 CBGD CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)O)o1 829885715 WNHKVCXAGGZMKM-UHFFFAOYSA-N 278.242 -0.083 50 20 CBGD Cc1noc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1 831620366 ANDSPIWTDSXXNI-FSPLSTOPSA-N 269.261 -0.044 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](NC)C1 843348883 VLAZXUBJJCZXIJ-NXEZZACHSA-N 256.350 -0.384 50 20 CBGD CC(=O)N1CC[C@](C)(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1 843655040 TXATYIJAIGKUAB-PUYPPJJSSA-N 297.355 -0.183 50 20 CBGD C=C[C@H](CO)NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 852394041 LINLXBOLNHXVBD-DJLDLDEBSA-N 257.290 -0.711 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@H]1CCCN1C 854281691 IJRAHYLSIATIJV-SNVBAGLBSA-N 288.417 -0.045 50 20 CBGD C[C@H](NC(=S)NNC(=O)CN1CCCC1=O)C1CC1 855102506 KLUQAMBXHYBYNE-QMMMGPOBSA-N 284.385 -0.097 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@H]2CCC[C@@H]3C[C@H]23)N1 858538277 UYWYPAATSHGQHA-KATARQTJSA-N 280.328 -0.216 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H](NC=O)C(C)C 858777488 OMXDNCFWHMQBCH-VIFPVBQESA-N 258.322 -0.113 50 20 CBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccc(N)nc1 863150358 SNWIVHAFHUFSHU-SECBINFHSA-N 261.285 -0.217 50 20 CBGD CCOC(=O)CCCS(=O)(=O)N1CC[C@@H](B(O)O)C1 864230581 AONKEAADEYJGBM-SECBINFHSA-N 293.150 -0.792 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H]1C[C@H](OC)C1 875906617 RSSKQMOHLUGBEW-GUBZILKMSA-N 289.332 -0.454 50 20 CBGD COCCOCC(=O)NNC(=O)N[C@@H](C)C(F)(F)F 879916381 CSDWOGQZNIDUEU-LURJTMIESA-N 287.238 -0.069 50 20 CBGD COCC(=O)NNC(=O)Nc1cc(CN(C)C)ccn1 880600327 LHEDHEAHKOTECA-UHFFFAOYSA-N 281.316 -0.058 50 20 CBGD CCCCNC(=O)NNC(=O)CS(C)(=O)=O 920822434 PWCQYCLPMRCLML-UHFFFAOYSA-N 251.308 -0.839 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 920858374 FIFRESBXANJCSU-WDSKDSINSA-N 296.249 -0.206 50 20 CBGD O=C(Cn1ccccc1=O)NNC(=O)[C@H]1CCOC1 921202882 ITRFOCWDIDHUCM-VIFPVBQESA-N 265.269 -0.968 50 20 CBGD C[C@@H]1COC[C@@H]1NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 925994984 WMBIDTWOWLUCSV-WCABBAIRSA-N 291.373 -0.598 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)C(=O)NC1CC1 1118773639 ABWLAHIXNADRSV-UHFFFAOYSA-N 253.180 -0.635 50 20 CBGD COC(=O)C(=O)NNC(=O)NOCCC(F)(F)F 1255326889 DSUCEWMRWYZVQH-UHFFFAOYSA-N 273.167 -0.626 50 20 CBGD CS(=O)(=O)N1CCC(C(=O)NNc2ncccn2)CC1 1317807176 BOWWWHXUOICBCT-UHFFFAOYSA-N 299.356 -0.409 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCC2CC2)CN1 1318005215 YLZLVXYQCMBGIC-MRVPVSSYSA-N 254.290 -0.747 50 20 CBGD CN(C)CC(=O)NNC(=O)CCc1cnn(C)c1 1318522135 VXHKSBYWTVHGJJ-UHFFFAOYSA-N 253.306 -0.938 50 20 CBGD NC(=O)N1CCC[C@H]1C(=O)NNc1ncc(F)cn1 1319675479 KHVRXSKFFCAOFT-ZETCQYMHSA-N 268.252 -0.398 50 20 CBGD CC[C@H](C)n1nc(NC(=O)C(=O)NNC(=O)CO)cc1C 1320238327 YXHYDAKAUZZWIK-ZETCQYMHSA-N 297.315 -0.759 50 20 CBGD Cc1cccc(C(=O)NNC(=O)C(=O)NCC2CC2)n1 1321092609 FVPFYMPJZOZIPQ-UHFFFAOYSA-N 276.296 -0.323 50 20 CBGD CC(C)[C@H](NCC(=O)NNC(=O)C1CC1)c1nncn1C 1322061379 QEYVNIFZQMSRSZ-NSHDSACASA-N 294.359 -0.341 50 20 CBGD Cc1nc(N(C)C)sc1C(=O)NNC(=O)CO 1323782970 KEJFOFXGXPAILX-UHFFFAOYSA-N 258.303 -0.729 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C[C@H]1CCC(=O)N1 1328023400 VBNVFHBYFTYRNN-SECBINFHSA-N 298.343 -0.893 50 20 CBGD Cc1ncc(S(=O)(=O)NNC(=O)c2cccn2C)n1C 1351663461 XLUTUMBPTCETJQ-UHFFFAOYSA-N 297.340 -0.310 50 20 CBGD CC1(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)COC1 1549320958 OWTVDHBKMPWGTE-WDEREUQCSA-N 267.329 -0.012 50 20 CBGD NCC(F)(F)CC(=O)NNC(=O)C1CCOCC1 1580217387 RVMYVHLOYSNLIW-UHFFFAOYSA-N 265.260 -0.456 50 20 CBGD C[C@]1(CNC(=O)NNC(=O)C(=O)O)CCCCO1 1594019835 LAFKNNKMHFUREY-SNVBAGLBSA-N 259.262 -0.639 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@]2(C(=O)O)CCCO2)n[nH]1 1594280965 BZLAUCZBXYATMJ-LLVKDONJSA-N 282.256 -0.887 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(=O)O)nc1 1594643468 GLKCTDDKOOXCGS-VXNVDRBHSA-N 293.279 -0.034 50 20 CBGD O=C(O)COCC(=O)NNC(=O)NCc1ccco1 1595106953 DNZQMNGUDOZNRN-UHFFFAOYSA-N 271.229 -0.789 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1C[C@H]1C1CCOCC1 1601553101 ULYIWWVNDKBETI-JGVFFNPUSA-N 271.273 -0.784 50 20 CBGD COC(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1604951069 NLDPARYOIGMFPK-UHFFFAOYSA-N 298.284 -0.584 50 20 CBGD O=C(NNC(=O)[C@]1(C(=O)O)CC=CCC1)C(=O)NC1CC1 1605814708 PDTVGFVNTIUWSY-ZDUSSCGKSA-N 295.295 -0.777 50 20 CBGD O=C(NNC(=O)C12CC(C(=O)O)(C1)C2)c1cccnn1 1608477183 GHAYIGVZJJVFQF-UHFFFAOYSA-N 276.252 -0.508 50 20 CBGD O=C(O)Cc1ccc(NC(=O)NNC(=O)CO)cc1F 1608779754 UCCDKKWJXWPDDG-UHFFFAOYSA-N 285.231 -0.402 50 20 CBGD N#CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847559282 TZVAOGDHBGSSDZ-LPEHRKFASA-N 285.731 -0.298 50 20 CBGD CC(C)(C)C(=O)NCC(=O)NNC(=O)c1ccc[nH]1 102491793 CPSXMTGQXOULHL-UHFFFAOYSA-N 266.301 -0.062 50 20 CBGD Cn1cc(C(=O)NNC(=O)CO)c(C(C)(C)C)n1 182751022 YCKXSBUAWDNTOP-UHFFFAOYSA-N 254.290 -0.529 50 20 CBGD O=C(NNc1ncnc2ccsc12)[C@H]1C[C@@H](O)CN1 269221821 JOGPZTKPECNHQW-HTRCEHHLSA-N 279.325 -0.143 50 20 CBGD CC(=O)NNC(=O)c1cc(Br)nn1C 277967411 XHRKJEDDZSIDOF-UHFFFAOYSA-N 261.079 -0.037 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)c1cccc(C)n1 279889555 YJCVBFIAERJKJF-UHFFFAOYSA-N 264.285 -0.371 50 20 CBGD CCOC(=O)NNC(=O)c1ccc(C(=O)NC)nc1 491115159 MXZYUPSQKVYOIW-UHFFFAOYSA-N 266.257 -0.168 50 20 CBGD O=C(CCN1CCOC1=O)NNC(=O)c1ccc[nH]1 495738631 VJTMYTHZGNPSFA-UHFFFAOYSA-N 266.257 -0.382 50 20 CBGD C[C@H]1C[C@H]1CNC(=O)c1ccc(B(O)O)c(F)c1 584930476 YHYVVNONETUWPF-CBAPKCEASA-N 251.066 -0.109 50 20 CBGD COCCOC[C@H](C)NC(=O)c1cccc(B(O)O)c1 584953760 XJBXVUPPHQCQHO-JTQLQIEISA-N 281.117 -0.852 50 20 CBGD C[C@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584960448 KXEGWTFMFJAKRU-QMMMGPOBSA-N 251.066 -0.013 50 20 CBGD O=C(NC[C@H](O)C(F)(F)F)c1ccc(B(O)O)cc1 584961721 VGDGGHBMLBTHCC-QMMMGPOBSA-N 277.007 -0.981 50 20 CBGD C[C@@H](CO)CCCNC(=O)c1cc(B(O)O)ccc1F 584968472 XJYJRELUYZCDGL-SECBINFHSA-N 283.108 -0.356 50 20 CBGD CC(C)C[C@@H](CO)N(C)C(=O)c1ccc(B(O)O)c(F)c1 584976661 KKZUEOMFYRUFJP-NSHDSACASA-N 297.135 -0.016 50 20 CBGD O=C(NCCC1CC(O)C1)c1cccc(B(O)O)c1 584982878 NJOUJTHVJGTHTF-UHFFFAOYSA-N 263.102 -0.743 50 20 CBGD Cc1ccc(C(=O)N[C@@H](C(=O)NCB(O)O)C(C)C)cc1 585054169 IWWFAAHFYVDKST-GFCCVEGCSA-N 292.144 -0.122 50 20 CBGD O=S(=O)(C[C@@H]1CCCO1)N1CC[C@H](B(O)O)C1 585057870 MNJIBNISJYTDGB-IUCAKERBSA-N 263.124 -0.956 50 20 CBGD CCCSCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729276308 BXSOMPAIXBMZKC-ZETCQYMHSA-N 297.402 -0.785 50 20 CBGD COc1ccccc1C(=O)NNC(=S)NCC(N)=O 731490599 OSYXSOOHSOILJO-UHFFFAOYSA-N 282.325 -0.711 50 20 CBGD CNC(=O)[C@@H]1CCCN(CC(=O)NNC(=O)C(C)(C)C)C1 744400374 HRGIOECYXJDPIE-SNVBAGLBSA-N 298.387 -0.362 50 20 CBGD C[C@@]1(C(=O)NNC(=O)Cc2cc[nH]n2)CCCOC1 755260957 HEONUBCCNWIWKF-GFCCVEGCSA-N 266.301 -0.084 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCOC(C)C 758717532 DTLWGLNCXALOKZ-JTQLQIEISA-N 291.348 -0.207 50 20 CBGD CCC(=O)N1CC[C@H](NC(=O)NNC(=O)C(C)C)C1 762080140 DKEVMXOIBQUWQG-VIFPVBQESA-N 270.333 -0.016 50 20 CBGD COC(=O)c1coc(C(C)=NNC(=O)C(N)=O)c1 766432677 YWBWSAAJIQRXMV-UHFFFAOYSA-N 253.214 -0.608 50 20 CBGD N#Cc1ncn(CC(=O)NNC(=O)NC2CCCC2)n1 769153496 XAMHLUKUNJLMHI-UHFFFAOYSA-N 277.288 -0.577 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cnc(C)nc1N 780710624 VPSMOMVPAFADDQ-UHFFFAOYSA-N 252.278 -0.327 50 20 CBGD CNC(=O)NNC(=O)c1ccc(O)c([N+](=O)[O-])c1 781080142 MFJQLJHTNMJQHR-UHFFFAOYSA-N 254.202 -0.126 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)CC1CCOCC1 782477950 DLFLDKCXJWFEAQ-UHFFFAOYSA-N 279.362 -0.091 50 20 CBGD COCC(=O)NNC(=O)Nc1cc(C(=O)N(C)C)ccn1 794274064 FZMUXCYLRMJPII-UHFFFAOYSA-N 295.299 -0.418 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H](C(=O)OC)C1CC1 794565808 IVELAAGPIIQYPQ-XVKPBYJWSA-N 271.317 -0.527 50 20 CBGD C[C@@](O)(C(=O)NNC(=O)Cc1cc[nH]n1)C1CC1 804351867 KOYHCMUFYXNZDJ-NSHDSACASA-N 252.274 -0.739 50 20 CBGD COC(=O)CNC(=O)NN=C(C)c1cc(CO)on1 812227686 NEXQAQIHBDBGCC-UHFFFAOYSA-N 270.245 -0.637 50 20 CBGD CCn1nc(C)c(C(=O)NNC(=O)NC2CC2)n1 815114355 PRNHFWMNSKOOTQ-UHFFFAOYSA-N 252.278 -0.287 50 20 CBGD Cc1cc(C)nc(NNC(=O)C2(n3cnnn3)CC2)n1 820523810 SCDOKVKQOKDDBH-UHFFFAOYSA-N 274.288 -0.288 50 20 CBGD CCN(CCO)NC(=O)[C@@H](C)N1CCSCC1 823869433 JGPXDRWSMKCYRW-SNVBAGLBSA-N 261.391 -0.231 50 20 CBGD C[C@@]1(C(=O)NNC(=S)NCC2CCC2)CCNC1=O 824327086 AEDWGYRSSLJIOI-GFCCVEGCSA-N 284.385 -0.192 50 20 CBGD COc1cnc(C(=O)NNC(=O)[C@@H]2CCCCO2)nc1 833235603 HIHREHAVZOEDEZ-VIFPVBQESA-N 280.284 -0.185 50 20 CBGD COc1ccnc(C=NNC(=O)CN2CCCC2=O)n1 842521868 PEGUBQPGCHKNJO-UHFFFAOYSA-N 277.284 -0.442 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)CC(C)(C)CN 843355331 RXABBSXJFLEMOP-UHFFFAOYSA-N 256.350 -0.540 50 20 CBGD CO[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)C1CC1 843658872 WNWVVYFZYOZYSR-JEZHCXPESA-N 256.302 -0.016 50 20 CBGD COC(=O)COCC(=O)NNC(=O)NC1CCCCC1 854192977 ZDCQHYNNBCREFG-UHFFFAOYSA-N 287.316 -0.161 50 20 CBGD CN1CCN(C(=O)NNC(=O)C2(N(C)C)CC2)CC1 854381872 SJSFDDGMXXSJFR-UHFFFAOYSA-N 269.349 -0.931 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=S)N[C@H](C)C1CC1 855101405 BBFHEWBKGBHWQS-SSDOTTSWSA-N 272.374 -0.242 50 20 CBGD CCC[C@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)OC 858500880 UDSNCDNECXQICS-BDAKNGLRSA-N 286.332 -0.590 50 20 CBGD COc1cccc(NNC(=O)CN2CC(=O)N(C)C2=O)n1 860677456 QPHKFQWVORMQQJ-UHFFFAOYSA-N 293.283 -0.573 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccnc(F)c2)N1 862454668 WXNGVIRYSWTZCP-SSDOTTSWSA-N 266.232 -0.740 50 20 CBGD Nc1ncc2c(n1)CCCC2=NNC(=O)[C@H]1CCC(=O)N1 863150191 ORRFTPNPUCWJIT-SNVBAGLBSA-N 288.311 -0.506 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@H]1CCCN1C=O 899997936 BBIDVWRJHDSDRG-MRVPVSSYSA-N 272.374 -0.099 50 20 CBGD CC(=O)N1CCC[C@H](C(=O)NN(C)C[C@@H](C)O)C1 910176706 BZRWRDKSIVOCBX-KOLCDFICSA-N 257.334 -0.411 50 20 CBGD C[C@H](O)CN(C)NC(=O)CN1CCCCCC1=O 910179220 UORANBZKZZNEQN-JTQLQIEISA-N 257.334 -0.267 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)CC(F)(F)F 918364337 NSAJAPJJLGGMQG-BYPYZUCNSA-N 255.196 -0.389 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccc2c(c1)OCC(=O)N2 1117102975 RSAQEZIGZUNMDO-UHFFFAOYSA-N 276.252 -0.657 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCc1nnc(N)o1 1117149520 SUAFGRKSZJFJHI-VOTSOKGWSA-N 251.246 -0.246 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)NCc2cn(C)nn2)cn1 1261526023 WOPOBUHUCVDOHD-KMKOMSMNSA-N 271.284 -0.228 50 20 CBGD Cc1cc(CC(=O)NN=Cc2cnc(N)nc2)n[nH]1 1319964252 FGRCWHFIZVROFZ-UHFFFAOYSA-N 259.273 -0.217 50 20 CBGD COC(=O)c1ccsc1NC(=O)C(=O)NNC(C)=O 1320224927 ZMBNZCLRSMIKRZ-UHFFFAOYSA-N 285.281 -0.360 50 20 CBGD CNC(=O)NNC(=O)C(=O)c1cnn(C(C)(C)C)c1 1321947402 GDILLOCDJUMYHF-UHFFFAOYSA-N 267.289 -0.219 50 20 CBGD CC(C)NC(=S)NNC(=O)C(C)(C)NS(C)(=O)=O 1323165942 CFXAUZSTMXBEPA-UHFFFAOYSA-N 296.418 -0.782 50 20 CBGD CC1(Cn2cc(C(=O)NNC(=O)NC3CC3)nn2)COC1 1325400637 KTYOWGCEAIAXOP-UHFFFAOYSA-N 294.315 -0.579 50 20 CBGD CNC(=O)NNC(=O)CCCCN1CCOCC1 1326928574 SJOSJSDISSOFHZ-UHFFFAOYSA-N 258.322 -0.551 50 20 CBGD O=C(NNS(=O)(=O)C[C@@H]1CCCOC1)c1cn[nH]c1 1331736133 HXOXGPKFJOPJHS-MRVPVSSYSA-N 288.329 -0.600 50 20 CBGD COc1cccnc1C(=O)N1CC[C@@H](B(O)O)C1 1331897833 ZOAGFXKFELZIDM-MRVPVSSYSA-N 250.063 -0.221 50 20 CBGD Cn1cc(CCC=NNC(=O)CS(C)(=O)=O)cn1 1335347634 UMZJNGMGYJKVGA-UHFFFAOYSA-N 272.330 -0.501 50 20 CBGD O=C(c1ccc2nncn2c1)N1CC[C@H](B(O)O)C1 1335434914 YMFHZGVJVUXTDI-VIFPVBQESA-N 260.062 -0.582 50 20 CBGD Cc1nn(C)cc1CCC(=O)NNC(=O)c1cnn(C)c1 1339205577 ZXVBAENPBKAXHE-UHFFFAOYSA-N 290.327 -0.144 50 20 CBGD C[C@@H]1[C@@H](CO)CCCN1C(=O)NNC(=O)c1cn[nH]c1 1351351486 FFSFHOLOGATJBN-RKDXNWHRSA-N 281.316 -0.143 50 20 CBGD CN1C(=O)CCC[C@H]1C(=O)N1CC[C@H](B(O)O)C1 1353926858 VWOMBSQOWUYPMA-IUCAKERBSA-N 254.095 -0.927 50 20 CBGD COc1cc(O)ncc1C(=O)NN(C)C[C@@H](C)O 1355106473 SYUAZLCONZOMLC-SSDOTTSWSA-N 255.274 -0.247 50 20 CBGD C[C@@]1(C(=O)NNC(=O)CC(F)(F)F)C[C@H](O)CN1 1573601861 RUFNHXXLCGFOOL-XNCJUZBTSA-N 269.223 -0.801 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)C(=O)O 1588843176 CTKJREUOVJWICL-YUMQZZPRSA-N 288.300 -0.168 50 20 CBGD CC[C@H](C)[C@H](NCC(=O)NNC(=O)C(C)C)C(=O)O 1593614024 VRTYXRHNFMJIEH-WPRPVWTQSA-N 273.333 -0.121 50 20 CBGD CNC(=O)NNC(=O)Cc1ccccc1C(=O)O 1598650288 FIHPKFLYQBLXGI-UHFFFAOYSA-N 251.242 -0.113 50 20 CBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1cccc(F)c1F 1601635384 FFQNJDLMPWMLMR-UHFFFAOYSA-N 287.178 -0.865 50 20 CBGD O=C(O)C(=O)NN[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 1601636260 XTUFALDERJUUON-SNVBAGLBSA-N 295.270 -0.149 50 20 CBGD O=C(O)C[C@@H]1CC[C@H](NC(=O)c2cccc(B(O)O)c2)C1 1602112807 RZQCSGUFOKRXGK-SKDRFNHKSA-N 291.112 -0.260 50 20 CBGD CC(C)C[C@H](CNC(=O)c1ccc(B(O)O)cc1)C(=O)O 1603010275 DDZCZUXCZSWGOH-LLVKDONJSA-N 293.128 -0.157 50 20 CBGD O=C(O)Cn1ccc(NC(=O)NNC(=O)c2ccc[nH]2)n1 1606348765 LLKIVWHRXNLFML-UHFFFAOYSA-N 292.255 -0.238 50 20 CBGD C[C@H](CC=NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)O 1609738140 TULANIVYJLVASD-SFYZADRCSA-N 276.314 -0.366 50 20 CBGD CC1(C)C[C@@H](NC(=O)NNC(=O)C(=O)O)CCO1 1609816177 DAVRQSSJUWHMPX-LURJTMIESA-N 259.262 -0.641 50 20 CBGD CN1CCN(C(=O)NN=Cc2cc(C(=O)O)nn2C)CC1 1776057904 OKGXMSRVFVJQLI-UHFFFAOYSA-N 294.315 -0.591 50 20 CBGD CC(=O)NNC(=O)CNS(=O)(=O)c1ccccc1 1920320 AWJRRUQELGAVQA-UHFFFAOYSA-N 271.298 -0.868 50 20 CBGD CNC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 48644398 KKRKUGFCEBWZGY-UHFFFAOYSA-N 299.356 -0.138 50 20 CBGD O=S1(=O)C[C@@H](O)[C@@H](I)C1 82879973 LQNJBIPXTGBGQQ-IUYQGCFVSA-N 262.068 -0.421 50 20 CBGD N#CCCN(CCC#N)CC(=O)NNC(=O)C1CC1 132897563 SJASJWLPELZBHA-UHFFFAOYSA-N 263.301 -0.327 50 20 CBGD CC[C@H]1CC[C@@H](C(=O)NNc2ccc(C(N)=O)nn2)O1 268101690 BFYQDHXAWGBDQG-CBAPKCEASA-N 279.300 -0.024 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1N 276266969 OADUOSHDGOCXEA-UHFFFAOYSA-N 282.256 -0.291 50 20 CBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNC(=O)N(C)C 279487981 IVARYQFCJVSHDT-ZDUSSCGKSA-N 296.327 -0.790 50 20 CBGD O=C(CC(=O)NNC(=O)[C@@H]1CCCO1)NCC(F)(F)F 294596374 ISXNLTDMFRCDSL-LURJTMIESA-N 297.233 -0.619 50 20 CBGD O=S(=O)(CCCCl)N1C[C@H](O)[C@@H](CO)C1 316434441 UENPOAJDLBKKSH-SFYZADRCSA-N 257.739 -0.770 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCc2nccn2C1 365630018 UEBYAZICLMSRDX-QMMMGPOBSA-N 266.301 -0.636 50 20 CBGD CN(C)CCN(C)C(=O)c1cc(B(O)O)ccc1F 584956232 YZKGXFHLFPXUFE-UHFFFAOYSA-N 268.097 -0.861 50 20 CBGD Cc1cncn1CCCNC(=O)c1ccc(B(O)O)cc1 584964399 HZAYQIZYFQAWIS-UHFFFAOYSA-N 287.128 -0.309 50 20 CBGD C[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C[C@@H]1O 584969141 CHXSSXJLHCSHOZ-CABZTGNLSA-N 263.102 -0.791 50 20 CBGD C[C@@H]1[C@H](CO)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584982198 MFFBFKUEUGVGRK-SCZZXKLOSA-N 281.092 -0.652 50 20 CBGD C[C@@H](CCO)N(C)C(=O)c1ccc(B(O)O)cc1 585004758 MOVGMEKBTDWSCF-VIFPVBQESA-N 251.091 -0.791 50 20 CBGD C[C@@H]1CN(C)CC[C@@H]1NCc1cccc(B(O)O)c1 585022177 KJNYCMXOSFEXMF-RISCZKNCSA-N 262.162 -0.204 50 20 CBGD C[C@@H](CNCc1ccc(B(O)O)o1)CN1CCOCC1 585025158 MWEOBTGEHBEQEP-NSHDSACASA-N 282.149 -0.983 50 20 CBGD CNC(=O)C(C)(C)CNCc1cccc(B(O)O)c1 585030111 ONVUVCAHQPXQIY-UHFFFAOYSA-N 264.134 -0.772 50 20 CBGD CCNC(=O)N1CC[C@H](NCc2cccc(B(O)O)c2)C1 585031006 OFEAYAFBYOXCFW-ZDUSSCGKSA-N 291.160 -0.740 50 20 CBGD CCC[C@@H](C)C(=O)NCCNCc1ccc(B(O)O)o1 585042373 BLFHFMYAFGYDKY-SNVBAGLBSA-N 282.149 -0.399 50 20 CBGD CCNC(=O)NC1(C(=O)N2CC[C@@H](B(O)O)C2)CCCC1 585072083 HUKFCXGNLJHSDY-SNVBAGLBSA-N 297.164 -0.306 50 20 CBGD CC[C@@H](C)NC(=S)NNC(=O)[C@@H](C)NS(C)(=O)=O 728450471 ZDRRCFAFISKXRS-RNFRBKRXSA-N 296.418 -0.782 50 20 CBGD O=C(COC[C@H]1CCCO1)NNC(=O)Cc1cccnc1 728982284 VXUYFHIARBMAJN-GFCCVEGCSA-N 293.323 -0.033 50 20 CBGD CCOCCO[C@H](C)C(=O)NNC(=O)Cc1cc[nH]n1 730091513 DWWCGKWRIDEYNP-SECBINFHSA-N 284.316 -0.459 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@@H]1COCCO1)C1CC1 745172996 BFAPQEJHNXZUCG-APPZFPTMSA-N 273.358 -0.304 50 20 CBGD CN(CC(=O)NNC(=O)Cc1ccncc1)C(=O)C1CC1 747428899 ZLEGHJAASVRJHC-UHFFFAOYSA-N 290.323 -0.360 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CCNC(N)=O)o1 752528570 ZCFTYGCXZKWSMD-UHFFFAOYSA-N 254.246 -0.593 50 20 CBGD COC[C@@H](C)CC(=O)NNC(=O)CNC(=O)c1ccco1 755267067 NCKJLVGNROWCOL-VIFPVBQESA-N 297.311 -0.171 50 20 CBGD C#CCOCCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 756504998 NUHJVNLMPIPEBH-LLVKDONJSA-N 288.369 -0.481 50 20 CBGD CC1CC(C#N)(C(=O)NNC(=O)C(=O)N2CCCC2)C1 758201556 MSLHGJOFPBKABC-UHFFFAOYSA-N 278.312 -0.304 50 20 CBGD CNC(=O)NNC(=S)NCC1CCN(C)CC1 760475009 HTTURLZVSDHLIP-UHFFFAOYSA-N 259.379 -0.364 50 20 CBGD CCCCn1ncc(NC(=O)C(=O)NNC(=O)CO)c1C 764420977 IGTUFAURZUIFOH-UHFFFAOYSA-N 297.315 -0.930 50 20 CBGD O=C(Cn1cccnc1=O)NN=c1cc[nH]cc1Cl 768444797 WKCAONVRYRJVHM-UHFFFAOYSA-N 279.687 -0.143 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)CCCOC 768493585 GBJRCLQDKFJFKT-UHFFFAOYSA-N 253.324 -0.481 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)CO)c(F)c1 776188618 HPFUXHOMXWXXAN-UHFFFAOYSA-N 270.216 -0.634 50 20 CBGD C[C@]1(CCC(=O)NNC(=O)N2CCOCC2)CCC(=O)N1 793273717 QMAYQKLICSAIHZ-CYBMUJFWSA-N 298.343 -0.492 50 20 CBGD CC(=O)NNC(=O)COc1ccc(C(N)=O)cc1 797742843 GQIQHPZZMLLNQN-UHFFFAOYSA-N 251.242 -0.668 50 20 CBGD COCC(=O)NNC(=O)Nc1ccnc(OC)c1 806663366 PSKBHGXUUSOMPH-UHFFFAOYSA-N 254.246 -0.111 50 20 CBGD O=C(CNC(=O)c1ccc(F)cc1F)NNc1nc[nH]n1 816631907 LKILBPMVOHVDJP-UHFFFAOYSA-N 296.237 -0.044 50 20 CBGD COCCN(C)NC(=O)[C@@H]1CCCCN(C)C1=O 822842882 CPBXLNCQWIZJTE-JTQLQIEISA-N 257.334 -0.146 50 20 CBGD COCCCOCCC(=O)NNC(=O)NC1CC1 823768134 OQIUKTDQGCPZBP-UHFFFAOYSA-N 259.306 -0.078 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ncccc1S(C)(=O)=O 823917236 FXNNFNAWJOFCGV-QMMMGPOBSA-N 287.341 -0.558 50 20 CBGD CC(C)N1CCC[C@H]1C(=O)NNC(=O)CS(C)(=O)=O 827588280 PXDVBVYJMPIAHZ-VIFPVBQESA-N 291.373 -0.949 50 20 CBGD COC(=O)c1ccc(NNC(=O)C[C@H]2CCC(=O)N2)nc1 831292242 VRPSSKUPHDGFMB-SECBINFHSA-N 292.295 -0.020 50 20 CBGD O=S(=O)(CCl)N[C@H]1CCCN(CCCO)C1 831810539 QOXKMWHNBCPNKN-VIFPVBQESA-N 270.782 -0.051 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NN=C1CCS(=O)(=O)C1 842553711 FZXGZOALXIECLB-IONNQARKSA-N 260.315 -0.298 50 20 CBGD C=CCn1cc(C(=O)NNC(=O)[C@H]2CCCCO2)nn1 843600710 HKVKOXORMRBJKA-SNVBAGLBSA-N 279.300 -0.206 50 20 CBGD COC(=O)C1(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1 843660918 YKDFRTYAGUOYRD-SFYZADRCSA-N 270.285 -0.488 50 20 CBGD COCCN(C)NC(=O)CS(=O)(=O)C(C)C 848377955 YFNHENPWIHLQLB-UHFFFAOYSA-N 252.336 -0.581 50 20 CBGD CCC[C@H](C(=O)NNC(=O)C(C)C)S(N)(=O)=O 854215213 XVYOCOIRHKHUHX-SSDOTTSWSA-N 265.335 -0.753 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)[C@@H]1CCCCO1 854683819 UTGRBBIKSHZQGW-IUCAKERBSA-N 260.290 -0.636 50 20 CBGD Cc1cc(=NNC(=O)CN2CSCC2=O)cc[nH]1 862508931 ANWOKYPFFVNQKB-UHFFFAOYSA-N 266.326 -0.212 50 20 CBGD C#CC1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 863884453 LACKTEDPMPPNAU-UHFFFAOYSA-N 275.088 -0.009 50 20 CBGD CC[C@]1(NC(=O)c2ccc(B(O)O)cc2)CCOC1 867761529 UMYHUNCZRCBSOS-ZDUSSCGKSA-N 263.102 -0.335 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@H]2COC[C@H]2C1 872319402 DOKHTFMTOQPMNO-AOOOYVTPSA-N 255.318 -0.632 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1ccc(F)cn1 874649518 QSOHYWZXVADNMU-UHFFFAOYSA-N 270.264 -0.231 50 20 CBGD Cc1cc(=NNC(=O)NCc2cn(C)nn2)cc[nH]1 875479978 FIBQDLTYKLIGKJ-UHFFFAOYSA-N 261.289 -0.233 50 20 CBGD COC(=O)N1CCC[C@@H](NCc2cccc(B(O)O)c2)C1 876996907 HSOVAZXWRKWXJQ-CYBMUJFWSA-N 292.144 -0.313 50 20 CBGD C[C@H]1COCC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 884421493 VWQUYPNBZHWRNA-JGVFFNPUSA-N 275.330 -0.505 50 20 CBGD C[C@H]1C(=O)CCCN1C(=O)c1ccc(B(O)O)cc1 885063008 QBFVNIWDEKPKRV-VIFPVBQESA-N 261.086 -0.440 50 20 CBGD Cc1ncc(C(=O)NNC(=O)CN2CCCC2=O)s1 913730909 MZDQNXXRERIBQS-UHFFFAOYSA-N 282.325 -0.165 50 20 CBGD CCOC(=O)N1CSC[C@H]1C(=O)NNC(C)=O 929182817 QKVOGFHEDNRFDE-ZETCQYMHSA-N 261.303 -0.315 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)Cc2ccncc2)CC1=O 1116185681 RMAWZCXIANZILA-NSHDSACASA-N 290.323 -0.360 50 20 CBGD CC(C[C@H]1CCOC1)=NNC(=O)CS(C)(=O)=O 1118894041 XWBYDFJPHJCTED-SECBINFHSA-N 262.331 -0.050 50 20 CBGD C[S@](=O)CCNC(=O)NNC(=O)c1cccc(C#N)c1 1318600214 PRRHKEIMQRCIOO-FQEVSTJZSA-N 294.336 -0.119 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCN(C)C1CCCC1 1318942036 MPILGYKUXQWNPU-UHFFFAOYSA-N 286.332 -0.636 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1nccn1C 1319066588 FDMAHPWXOAMVIE-VIFPVBQESA-N 299.331 -0.698 50 20 CBGD CCNC(=O)N(C)NC(=O)c1noc(COC)n1 1320527400 VFTQPBWBMLSUEL-UHFFFAOYSA-N 257.250 -0.478 50 20 CBGD CCOCC(=O)NNC(=O)NCCc1cnccn1 1320616979 HATFMYZRSNOKKF-UHFFFAOYSA-N 267.289 -0.614 50 20 CBGD CCn1ncc(C)c1NC(=O)C(=O)NNC(=O)OC 1327253852 HMEXEFRAEGNCKU-UHFFFAOYSA-N 269.261 -0.463 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCN(C(C)(C)C)C1 1327760443 HHSANSCZJNVMCS-QMMMGPOBSA-N 286.332 -0.637 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F 1329835686 YDEXPLYVZADTNX-PHDIDXHHSA-N 296.249 -0.397 50 20 CBGD CC(C)[C@H](C(=O)NNC(=O)c1ncon1)[C@H](C)N 1575415564 UAXBNVQBFLTGFR-BQBZGAKWSA-N 255.278 -0.550 50 20 CBGD COC[C@H](N)C(=O)NNC(=O)Cc1ccsc1 1579086941 OQNNIINDOQPZHY-QMMMGPOBSA-N 257.315 -0.588 50 20 CBGD CS(=O)(=O)CC[C@H](N)C(=O)NNc1cccc(C#N)c1 1579341032 SPCWNEZCZXHEHM-NSHDSACASA-N 296.352 -0.237 50 20 CBGD O=C(NNC(=O)[C@@H]1CCN1)c1ccc2n[nH]cc2c1 1580733564 XXIPMLSMKJKTAQ-JTQLQIEISA-N 259.269 -0.314 50 20 CBGD O=C(NNc1ccncn1)Nc1cc2n(n1)CCNC2 1580739814 PDVYRBDDSUEIQM-UHFFFAOYSA-N 274.288 -0.075 50 20 CBGD C=CCNC(=S)NNC(=O)c1ccc(-c2nn[nH]n2)o1 1588664320 XMGJBBZKOHINRV-UHFFFAOYSA-N 293.312 -0.245 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccc(C(=O)O)n1C 1592762278 QIXHCNQCCMEURG-SSDOTTSWSA-N 255.274 -0.319 50 20 CBGD O=C1C[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)N1 1593381635 LWNXJNGZGSHWLG-QMMMGPOBSA-N 273.256 -0.802 50 20 CBGD N#CSCCCNC(=O)Cn1cc(C(=O)O)nn1 1601078976 BGIUVIRBXGLPAV-UHFFFAOYSA-N 269.286 -0.303 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@H]1C(=O)O)c1cn[nH]c1 1601555820 IROYUTDRQKYWHJ-NKWVEPMBSA-N 252.230 -0.719 50 20 CBGD COc1cccc(CC(=O)NNC(=O)C(=O)NC(C)C)c1 61544299 MJOHDXXAPNHWTA-UHFFFAOYSA-N 293.323 -0.090 50 20 CBGD CC(C)OCCC(=O)NNC(=O)c1cnn(C)c1 117679458 ANDNOMMWTYFMQE-UHFFFAOYSA-N 254.290 -0.004 50 20 CBGD CN(C)C(=O)CNS(=O)(=O)CBr 127011412 RIDSXLASMIPGHK-UHFFFAOYSA-N 259.125 -0.654 50 20 CBGD C[C@H](C(=O)NNC(=O)c1cccn1C)n1cncn1 193004332 ANNDVWSFPQKJOE-MRVPVSSYSA-N 262.273 -0.361 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccc(C#N)cc1 265089153 ZIGOUPPIWHRBOW-UHFFFAOYSA-N 277.280 -0.018 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NNc1cccnn1 273127675 UHLAXPUHRBJEJN-SNVBAGLBSA-N 265.317 -0.112 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc2cncn2c1 286654971 CFUNFJXVEFOZAR-UHFFFAOYSA-N 262.269 -0.134 50 20 CBGD CCN1CCO[C@H](C(=O)NNc2cnccn2)C1 364329660 XEQMJYNCAMQZJM-VIFPVBQESA-N 251.290 -0.360 50 20 CBGD COC(=O)N(C)NC(=O)[C@H]1COCCN1CC(F)F 495628170 DEWPNWZCNYZNAE-SSDOTTSWSA-N 281.259 -0.318 50 20 CBGD CCN(CC(C)(C)O)C(=O)c1ccc(B(O)O)cc1 584957848 SJDRJXDRVUTZMO-UHFFFAOYSA-N 265.118 -0.401 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@](F)(CO)C1 584989592 GVMNKTOSLPUMEL-ZDUSSCGKSA-N 281.092 -0.697 50 20 CBGD O=C(NC1(CCO)CCOCC1)c1ccc(B(O)O)cc1 585006784 ONACNKXDUJOXIZ-UHFFFAOYSA-N 293.128 -0.972 50 20 CBGD CC1(C)C[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)CO1 585008698 PPGYCPOPZKTCAY-SECBINFHSA-N 281.092 -0.197 50 20 CBGD CC(C)COC[C@@H](O)CNCc1ccccc1B(O)O 585018678 ONCABRFPXOYBTL-ZDUSSCGKSA-N 281.161 -0.511 50 20 CBGD CO[C@H](CS(=O)(=O)N1CC[C@@H](B(O)O)C1)C(C)C 585055635 CKIXVICNTPFPEG-NXEZZACHSA-N 279.167 -0.464 50 20 CBGD CCC(=O)Nc1ccc(S(=O)(=O)NCB(O)O)cc1 585055801 JLKAYXAEEYCKJU-UHFFFAOYSA-N 286.118 -0.675 50 20 CBGD COCC[C@@H](C)S(=O)(=O)N1CC[C@H](B(O)O)C1 585058699 NCCOCKYFLOPYBF-BDAKNGLRSA-N 265.140 -0.710 50 20 CBGD CCNC(=O)NNC(=O)C(=O)Nc1ccc(OC)cc1 735038164 HSCGTAJMXNBJLX-UHFFFAOYSA-N 280.284 -0.016 50 20 CBGD Cn1cc(/C=C/C(=O)NNC(=O)N2CCOCC2)cn1 745991890 IVAJEWVDUOLJPN-NSCUHMNNSA-N 279.300 -0.494 50 20 CBGD CCNC(=O)NNC(=O)[C@H](CC)N1CCCC1=O 746166590 AENDRHCEEMVIEE-QMMMGPOBSA-N 256.306 -0.262 50 20 CBGD O=C(CO)NNC(=O)c1occc1Br 753443902 FOJGTARORVUTFH-UHFFFAOYSA-N 263.047 -0.205 50 20 CBGD CC(=O)N[C@@H](CC(=O)NNC(=O)CO)c1cccs1 753445516 LAPONXLJOJVDRO-QMMMGPOBSA-N 285.325 -0.545 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cc2n(n1)CCCO2 762253410 PWQMTLUSCGVNND-UHFFFAOYSA-N 267.289 -0.028 50 20 CBGD Cn1ccnc1[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 767114930 GCQPKGGEBAPWHH-LLVKDONJSA-N 291.355 -0.233 50 20 CBGD Cn1cccc1C(=O)NNC(=O)C1(O)CCOCC1 771928912 HJWXUONQOUYFRW-UHFFFAOYSA-N 267.285 -0.672 50 20 CBGD C[S@@](=O)c1ccc(C(=O)NNC(=O)C(C)(C)O)cc1 787947798 WRRKOIMROWBAQM-LJQANCHMSA-N 284.337 -0.044 50 20 CBGD COC/C=C\C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 792853330 DBULNWMYLPSUEI-UMCURTJPSA-N 276.358 -0.319 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@](C)(C#N)CC(=O)O)cn1 821287275 GXJKZQHPUOGTFB-NSHDSACASA-N 279.256 -0.814 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CCc2cnn(C)c2C1 823884774 JJKKGOHSDLBHEK-SNVBAGLBSA-N 266.345 -0.130 50 20 CBGD C[C@@H](C(=O)O)n1cccc1C=NNC(=O)[C@H]1COCCO1 833408395 UNRPYVKGCTUJMG-GXSJLCMTSA-N 295.295 -0.001 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1C[C@@H](C(=O)OC)C1 840451683 CVGGZJCOQXCSOE-OCAPTIKFSA-N 273.289 -0.695 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843977704 HGFNCYHGMSKMQN-FXQIFTODSA-N 273.289 -0.697 50 20 CBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)C1CCCC1 847335911 FZCRKJVVKSWDQC-BDAKNGLRSA-N 253.302 -0.165 50 20 CBGD Nc1ncc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cn1 853389561 NULKDFOYJUSRTN-MNOVXSKESA-N 290.327 -0.628 50 20 CBGD Cc1cc(S(N)(=O)=O)oc1C(=O)NN(C)C1CC1 854983959 YZTAOGFOGPCYSN-UHFFFAOYSA-N 273.314 -0.026 50 20 CBGD CO[C@H](C)[C@H](C)NC(=O)NNC(=O)c1cn[nH]c1 858380466 BWERHBPPOWPPHO-NKWVEPMBSA-N 255.278 -0.223 50 20 CBGD CC(F)(F)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858490297 DZDJQQCJXQCRGX-YFKPBYRVSA-N 264.232 -0.749 50 20 CBGD N#C[C@]1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC12CCCC2 862462825 YXLLSECQOMLUQS-XPTSAGLGSA-N 290.323 -0.114 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C1(C#N)CCCCC1 863459940 KCWCCCMHFIUCDS-UHFFFAOYSA-N 287.341 -0.348 50 20 CBGD COCCOCC(=O)NN=C1CCn2ccnc21 872400467 RNHSYRABPCOQMC-UHFFFAOYSA-N 252.274 -0.230 50 20 CBGD CO[C@H]1CN(CC(=O)NNC(=O)C(C)C)CCO1 878970410 PEFICYBUYPSEIX-SNVBAGLBSA-N 259.306 -0.906 50 20 CBGD COCC1(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1 882747240 NAYGIEKAVDUJIE-RKDXNWHRSA-N 292.357 -0.459 50 20 CBGD C#C[C@@H](NC(=O)NNC(=O)C1CCOCC1)[C@H]1CCCO1 883581488 YDTHQFVEKJRTIU-VXGBXAGGSA-N 295.339 -0.076 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CC(=O)N(C2CC2)C1 910174744 WOXHLYDWBYRVKS-IUCAKERBSA-N 255.318 -0.659 50 20 CBGD CC(=O)Nc1cccnc1C(=O)NN(C)C[C@H](C)O 910184818 WOMQKJNXEQLHTQ-QMMMGPOBSA-N 266.301 -0.003 50 20 CBGD CCN1CCCN(C(=O)c2ccc(B(O)O)cc2)[C@@H](C)C1 910270180 NZFGVMYLDSRCOH-LBPRGKRZSA-N 290.172 -0.077 50 20 CBGD Cc1cc(C)nc(NNC(=O)CN2CCCNC2=O)n1 915258927 ZSJMQEPCAGMRKV-UHFFFAOYSA-N 278.316 -0.048 50 20 CBGD CCCCNC(=S)NNC(=O)[C@@H](C)NS(C)(=O)=O 920297929 MJAAJOYCELDIGH-SSDOTTSWSA-N 296.418 -0.781 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H](NC(C)=O)C(C)C 920862479 JSTJLNCJRHTAPQ-JTQLQIEISA-N 288.348 -0.486 50 20 CBGD COCCCNC(=O)NNC(=O)c1n[nH]c2c1CCC2 920862730 ZVSGPOFLXBNHAI-UHFFFAOYSA-N 281.316 -0.121 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)Cc2ccncc2)CCC1 1116193282 RUBUQKQMALSGNN-UHFFFAOYSA-N 276.296 -0.573 50 20 CBGD Cn1cc(C(=O)NNC(=O)N[C@@H]2CC[C@H](C(=O)O)C2)cn1 1118199073 FQLYPQKWKVURGZ-IONNQARKSA-N 295.299 -0.383 50 20 CBGD CC1(C(=O)NNC(=O)CN2CCCC2=O)CCOCC1 1119600533 VTXLNWDNZHJXPJ-UHFFFAOYSA-N 283.328 -0.427 50 20 CBGD CC(=O)NCCNC(=O)NNC(=O)c1cccc(F)n1 1261639122 VOOBFMQYAAFNSN-UHFFFAOYSA-N 283.263 -0.699 50 20 CBGD C=CCCOCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1317990097 KDIUXRDYTTUCGP-SECBINFHSA-N 290.341 -0.839 50 20 CBGD Cn1c(=O)oc2cc(C=NNC(=O)CCO)ccc21 1324563166 FJELGHIGZUYPSS-UHFFFAOYSA-N 263.253 -0.036 50 20 CBGD CN(C)N(C(=O)c1cc(C=O)c[nH]1)[C@H]1CCS(=O)(=O)C1 1325030109 SBVTUSNTNFMXRQ-JTQLQIEISA-N 299.352 -0.067 50 20 CBGD C[C@H](C(=O)O)C(=O)NNc1nncc(N)c1Cl 1326389849 DNBPQWBSBSCAOZ-VKHMYHEASA-N 259.653 -0.124 50 20 CBGD COC(=O)NNC(=O)COCc1nnc(C)s1 1326651989 OZAMDXJYWNVPRK-UHFFFAOYSA-N 260.275 -0.250 50 20 CBGD CCNC(=O)CNC(=O)NNC(=O)Cc1cccnc1 1327500303 VUCOZJNEJLKJOZ-UHFFFAOYSA-N 279.300 -0.909 50 20 CBGD CCNC(=O)NNC(=O)c1sccc1S(N)(=O)=O 1327813416 GZZKZRHOQKRIJY-UHFFFAOYSA-N 292.342 -0.641 50 20 CBGD CCO[C@@H]1CC(=NNC(=O)C(=O)OC)[C@]12CCCO2 1328009297 GXBRDUOATPEQDP-BXKDBHETSA-N 270.285 -0.010 50 20 CBGD CN(C[C@@H]1COCCO1)C(=O)NNC(=O)c1cn[nH]c1 1328803808 HMZKDYQUGJBPJR-SECBINFHSA-N 283.288 -0.889 50 20 CBGD CSCCNC(=S)NNC(=O)c1cccnn1 1332049356 UNBIEISIISPNNJ-UHFFFAOYSA-N 271.371 -0.052 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1cnc[nH]1 1345931660 TVSAREBWBHXYPG-RQJHMYQMSA-N 274.302 -0.856 50 20 CBGD CC(=O)NNC(=O)C1([C@]2(O)CCCNC2)CCC1 1575014346 CQQBTNOHAKXRHJ-LBPRGKRZSA-N 255.318 -0.562 50 20 CBGD CCN(CCO)NC(=O)c1cc(O)cc(-c2nn[nH]n2)c1 1590714712 QRWUPKNBFPTHPO-UHFFFAOYSA-N 292.299 -0.469 50 20 CBGD Cc1nnc(NNC(=O)c2ccc(-c3nn[nH]n3)o2)n1C 1592449033 BVHOSUUKGVJWDT-UHFFFAOYSA-N 289.259 -0.346 50 20 CBGD C[C@@H]1CC[C@H](C(=O)O)N1C(=O)c1cccc(B(O)O)c1 1594218229 LXPBCLZWBMDUDD-LDYMZIIASA-N 277.085 -0.556 50 20 CBGD O=C(O)CCC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1594996968 XQCYZZDZCRACTG-BWZBUEFSSA-N 256.258 -0.434 50 20 CBGD O=C(O)[C@@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 1595162292 DEEBWMCUDOCGHH-NSHDSACASA-N 277.085 -0.554 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCCC(=O)O)cn1 1608098533 MAMCGKPRNLWIMU-UHFFFAOYSA-N 254.246 -0.564 50 20 CBGD C[C@@H](C(=O)O)C(=O)NNc1nccc(N2CCOCC2)n1 1609701241 WAHPFXLPFOFXFL-MRVPVSSYSA-N 295.299 -0.523 50 20 CBGD C[C@H](CC(=O)O)C(=O)NNC(=O)Cc1cc[nH]n1 1609731871 GOZPCBMANPQCHQ-ZCFIWIBFSA-N 254.246 -0.790 50 20 CBGD O=C(C(O)O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1 1846386657 KTTOJSMSSLCWAS-UHFFFAOYSA-N 297.138 -0.696 50 20 CBGD CCc1noc(C)c1C(=O)NNC(=O)C(=O)NC(C)C 8391636 OHJFIECWFRDHMH-UHFFFAOYSA-N 282.300 -0.169 50 20 CBGD CCNC(=O)N(C)NC(=O)CSc1nc(C)n[nH]1 272484632 ADBLVMYRMSZHDF-UHFFFAOYSA-N 272.334 -0.102 50 20 CBGD COC(=O)c1ccnc(NC(=O)NNC(=O)CN(C)C)c1 278111333 RTSLORKJNKWQSV-UHFFFAOYSA-N 295.299 -0.418 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cccnc2S)CC1 278736937 VPAOSCNAVSTTLL-UHFFFAOYSA-N 295.368 -0.028 50 20 CBGD C=CCNC(=S)NNC(=O)Cn1c(C)cc(C)nc1=O 281317160 SKXDBMJXFFKLSG-UHFFFAOYSA-N 295.368 -0.459 50 20 CBGD CCn1nc(C)c(CC(=O)NNC(=O)C(C)(C)O)c1C 295006133 VERDIPBJYKECFQ-UHFFFAOYSA-N 282.344 -0.019 50 20 CBGD Cc1ccnc2nc(C(=O)NNC(=O)C3CC3)nn12 298707007 YASBVCSDNZKWPH-UHFFFAOYSA-N 260.257 -0.396 50 20 CBGD O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1cccc(B(O)O)c1 404933184 AWSNAYWFMYBETH-VIFPVBQESA-N 297.141 -0.870 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@@H]1CC(=O)N(C)C1=O 490970271 GPZAVGAZKJNOGL-HYDMIIDASA-N 251.242 -0.696 50 20 CBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)C1CCCC1 496870823 KAPVBHXWFSXYKK-XPUUQOCRSA-N 255.274 -0.179 50 20 CBGD C[C@@H](C(=O)Nc1cccc(B(O)O)c1)[C@@H](C)S(C)(=O)=O 584914328 UZFLSSAWEKQKTD-RKDXNWHRSA-N 299.157 -0.626 50 20 CBGD CCN1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584923661 KEAFJKKMHXZREC-UHFFFAOYSA-N 280.108 -0.717 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@H]1CCCO 584967990 QCJOGTYHWLGUMR-NSHDSACASA-N 295.119 -0.117 50 20 CBGD C[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@H]1CO 584979354 RMIZZPWBYDUXQR-UFBFGSQYSA-N 281.092 -0.652 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@@H](C)[S@]1=O 584981247 UUEJLSYKHCBZII-YDNVHUBRSA-N 295.169 -0.652 50 20 CBGD O=C(NCCCC1(O)CCC1)c1cc(B(O)O)ccc1F 585001216 SWERHYPSOWSTIH-UHFFFAOYSA-N 295.119 -0.070 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC(O)(C2CC2)CC1 585008805 MROJACKPYZFVNH-UHFFFAOYSA-N 289.140 -0.257 50 20 CBGD CC[C@H](C[C@@H](C)CO)NCc1ccc(B(O)O)o1 585027686 XVRFODNEEWIFTE-NXEZZACHSA-N 255.123 -0.154 50 20 CBGD O=C(NCB(O)O)c1ccnc(OC2CCC2)c1 585062042 ANVPOEZKRJLYPV-UHFFFAOYSA-N 250.063 -0.245 50 20 CBGD COc1cc(OC)nc(N2CC[C@H](B(O)O)C2)n1 585078817 MWHJWDQUHWAHFG-ZETCQYMHSA-N 253.067 -0.453 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)Cc2ccc(F)cc2)CC1 731598203 CSJKVLNYUNCRQI-UHFFFAOYSA-N 279.271 -0.219 50 20 CBGD CCCNC(=O)NNC(=O)C(C)(C)S(C)(=O)=O 733138251 CLCGWMROPCTAMK-UHFFFAOYSA-N 265.335 -0.450 50 20 CBGD O=C(CN1CCCCCC1=O)NNC(=O)c1ncccn1 743289296 REXGCXSXQCJGDO-UHFFFAOYSA-N 291.311 -0.360 50 20 CBGD CCOCC(C)=NNC(=O)Cc1cc(O)nc(O)n1 743445570 BGORTOOBLKLFTQ-UHFFFAOYSA-N 268.273 -0.041 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(C#N)c[nH]1 748546783 OIHVDKLCIYFNTI-UHFFFAOYSA-N 291.311 -0.048 50 20 CBGD COc1ccnc(NNC(=O)c2cc(C(N)=O)c[nH]2)n1 749342639 LKWFDANRSVZQBS-UHFFFAOYSA-N 276.256 -0.331 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 749582102 JQCJFCBQIAWBSM-VIFPVBQESA-N 268.317 -0.405 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CNC1(C(N)=O)CCCC1 750048141 FLLULLCGJUJZMR-UHFFFAOYSA-N 284.360 -0.432 50 20 CBGD COc1ccc(C(=O)CCC(=O)NNC(=O)CO)cc1 753445492 KJZBUSJQMJFNMV-UHFFFAOYSA-N 280.280 -0.202 50 20 CBGD CC(=O)NCC(=O)NCC(=O)NNc1cc(C)ccn1 755846019 PNYGCZYIHHQHBL-UHFFFAOYSA-N 279.300 -0.915 50 20 CBGD CN(NC(=O)c1cnn(C)c1Br)C(N)=O 760413487 NGCBDFPEYDHTQC-UHFFFAOYSA-N 276.094 -0.162 50 20 CBGD CCS(=O)(=O)NCC(=O)NNC(=O)CC(C)(C)C 764141679 DWNZZULHECJOTR-UHFFFAOYSA-N 279.362 -0.491 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@H](C)[C@@H]1CN(C)CCO1 770124245 PRTGAPFHHQPAKU-ZJUUUORDSA-N 272.349 -0.308 50 20 CBGD CN(NC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O)C(N)=O 778418577 NWAWDPXKCCMZJD-CRCLSJGQSA-N 282.222 -0.515 50 20 CBGD CN(C)c1cnc(C(=O)NNC(=O)c2ccc[nH]2)cn1 779646071 SOCGLLDUKUZIHE-UHFFFAOYSA-N 274.284 -0.055 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c[nH]nc1C 785577772 KYQFMXSFPXMGME-SSDOTTSWSA-N 268.273 -0.179 50 20 CBGD Cn1nnc(CNC(=O)NNc2ccc(Cl)nn2)n1 787443090 WNWDAGKHXIQNOH-UHFFFAOYSA-N 283.683 -0.520 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(OC)nc1 795301409 HPIBMRNSGAUIDQ-UHFFFAOYSA-N 260.275 -0.788 50 20 CBGD CCOC(=O)c1cc(C=NNC(=O)C(N)=O)[nH]c1C 799465455 DVKFBFPBFQSTLG-UHFFFAOYSA-N 266.257 -0.565 50 20 CBGD Cn1cnc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)n1 809936803 AYTAIZVZZYMCFC-UHFFFAOYSA-N 290.239 -0.202 50 20 CBGD COCCCNC(=O)NNC(=O)c1cnn(CCF)c1 813423878 BLFTUKZXWCXVTN-UHFFFAOYSA-N 287.295 -0.167 50 20 CBGD CCN(CCO)NC(=O)c1nc2ncc(C)cn2n1 823898355 VHPOKMDSHWJDOQ-UHFFFAOYSA-N 264.289 -0.608 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCCN(C)C1=O 824016997 XNGKGJZYDRNNJP-DCAQKATOSA-N 297.355 -0.183 50 20 CBGD COC(=O)COCC(=O)NNC(=S)NCCSC 831575213 BFLUZQSMOXWREB-UHFFFAOYSA-N 295.386 -0.966 50 20 CBGD O=C(NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1)c1cnn[nH]1 833149442 QKGVOQCZESMCPM-RNFRBKRXSA-N 281.272 -0.543 50 20 CBGD CN1CCN(C(=O)NN=C2CCNC(=O)CC2)CC1 834973808 QOFYHKYSBUYZDD-UHFFFAOYSA-N 267.333 -0.401 50 20 CBGD CO[C@@H]1COC[C@@H]1NS(=O)(=O)CBr 841552512 ZYTSERUHQCLXSW-NTSWFWBYSA-N 274.136 -0.328 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CN1CCSC1=O 843649951 XZLRRBKOEBURJM-SFYZADRCSA-N 287.341 -0.272 50 20 CBGD CNC(=O)CCCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843974244 BWSASWMQJUMKLZ-DTWKUNHWSA-N 271.317 -0.525 50 20 CBGD COCCN(C)NC(=O)COCc1ccnn1C 848378124 IMJBZUXKLJCNQE-UHFFFAOYSA-N 256.306 -0.454 50 20 CBGD COCCS(=O)(=O)NNC(=O)c1cccc(Cl)n1 849312452 DHMZAZZBGVLJMU-UHFFFAOYSA-N 293.732 -0.054 50 20 CBGD CNC(=S)N(C)NC(=O)c1ncc(OC)cn1 854920022 DANSWFYCFOZFAY-UHFFFAOYSA-N 255.303 -0.434 50 20 CBGD CCC(CC)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858102960 HOWONZMMOBIFBC-MRVPVSSYSA-N 256.306 -0.216 50 20 CBGD C[C@@H]1CC[C@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858378818 SFXZOSJILAQZFU-HRDYMLBCSA-N 268.317 -0.216 50 20 CBGD CCO[C@@H]1CCCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858694262 KFPGBRULKPVNHX-ZJUUUORDSA-N 298.343 -0.493 50 20 CBGD CO[C@]1(C)CCCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858699060 IDIWULWOVVWCPT-TVQRCGJNSA-N 298.343 -0.493 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ncccc2Cl)N1 862462023 NZCLJILMCAICNY-SSDOTTSWSA-N 282.687 -0.225 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1cnn(C)c1C 863187202 BHZHQACFWDDHJS-UHFFFAOYSA-N 272.330 -0.387 50 20 CBGD COCCOCC(=O)NNC(=O)CCCn1ccnc1C 869909060 HNVMSAUFJDDMML-UHFFFAOYSA-N 298.343 -0.218 50 20 CBGD CCC(=O)N1CC[C@H](NC(=O)NN(C)C(=O)OC)C1 875383324 WSVOHYCNDVGDEO-QMMMGPOBSA-N 272.305 -0.090 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 887150337 GNUFGHKJCVTGJD-ZJUUUORDSA-N 265.313 -0.148 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CNC(=O)NC1CCCCC1 910170452 LRKKQZGMKGVARM-SNVBAGLBSA-N 286.376 -0.038 50 20 CBGD O=C(Cc1ncccc1F)NNC(=O)CN1CCCC1=O 913732734 ILQUIZDDUSPZOI-UHFFFAOYSA-N 294.286 -0.467 50 20 CBGD C/C(=C\C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CC1 917624974 JGVKEFQHYBPUEW-PCGIRMHASA-N 286.353 -0.075 50 20 CBGD C[C@@H]1COC[C@H]1NC(=O)NNC(=O)Cc1cccnc1 926003461 HPTSLAMKRVXOMR-MWLCHTKSSA-N 278.312 -0.011 50 20 CBGD CC(=O)N1CC[C@](C)(C(=O)NNC(=O)c2cnn(C)c2)C1 1319012272 ILOOUJYZSRPGHB-ZDUSSCGKSA-N 293.327 -0.560 50 20 CBGD CN1C[C@@H](NC(=O)NNc2nncc(N)c2Cl)CC1=O 1319794639 ZYZNPGZHEDTTRC-YFKPBYRVSA-N 299.722 -0.431 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cccc(F)n1 1320136947 OGABODDGKTWAOB-UHFFFAOYSA-N 268.248 -0.494 50 20 CBGD Cc1csc2ncc(C(=O)NN(C)C(N)=O)c(=O)n12 1320263602 UBOAJYXQNWTIQI-UHFFFAOYSA-N 281.297 -0.280 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)Cc1cccnc1 1322256621 ZRYSNDJHTHHAST-SECBINFHSA-N 299.352 -0.548 50 20 CBGD CCNC(=O)N(C)NC(=O)c1nc2nccc(C)n2n1 1325091664 QCMATHFPPSDJPS-UHFFFAOYSA-N 277.288 -0.261 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC1CC(F)(F)C1 1326086498 JWMFUQWQBBGBOB-UHFFFAOYSA-N 265.216 -0.465 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1C[C@H]1CC(C)C 1326785853 GTYMHJYIQNIINX-HTQZYQBOSA-N 257.290 -0.076 50 20 CBGD CCNC(=O)[C@H](C)NC(=O)NNC(=O)c1cccc(F)n1 1327553907 JWZKNSBJFPYEKY-ZETCQYMHSA-N 297.290 -0.311 50 20 CBGD CNC(=O)NNC(=O)c1cnn(-c2ccccn2)c1N 1327809893 BXFVUCKXPGVUOF-UHFFFAOYSA-N 275.272 -0.577 50 20 CBGD COc1ccnc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)n1 1328379138 OEFMRCPAMZHHAV-QMMMGPOBSA-N 298.324 -0.630 50 20 CBGD C[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)Cc1cc[nH]n1 1329041095 XMWSQTCPDNMIFF-MRVPVSSYSA-N 276.300 -0.299 50 20 CBGD CCc1ncncc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1329077810 ISJFFDCGVPBILW-SECBINFHSA-N 277.284 -0.921 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCOC1CCC1 1330488895 LLDSJNFCXXJXHF-UHFFFAOYSA-N 259.262 -0.941 50 20 CBGD C[C@@H](C(=O)NNc1ncncc1F)n1cncn1 1343996393 BBBOHQPREGOBSW-LURJTMIESA-N 251.225 -0.089 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1cnc[nH]1 1345931657 TVSAREBWBHXYPG-BQBZGAKWSA-N 274.302 -0.856 50 20 CBGD CC(C)C(=O)NNC(=O)[C@@H]1CN2CCN1C[C@@H]2C 1346086565 MSSBUFLDQYNABK-UWVGGRQHSA-N 254.334 -0.822 50 20 CBGD CS(=O)(=O)C1(C(=O)NNc2ncccc2C(=O)O)CC1 1574242461 LFTBKBRQSJEPNJ-UHFFFAOYSA-N 299.308 -0.200 50 20 CBGD CC(=O)NNC(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 1575014334 CFAWRXGGMOFNNN-SNVBAGLBSA-N 276.296 -0.321 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@]23CC[C@H]2CNC3)nn1 1580102113 LILASAMSVZEATO-MADCSZMMSA-N 276.300 -0.982 50 20 CBGD COC1([C@@H](C)NC(=O)NNC(=O)C(=O)O)CCC1 1599084256 VKGVPPVQOIMCFR-ZCFIWIBFSA-N 259.262 -0.641 50 20 CBGD Cn1nncc1NNC(=O)[C@H]1CC[C@@H](CCC(=O)O)O1 1601044996 QQWPCHMPAHPLKK-JGVFFNPUSA-N 283.288 -0.329 50 20 CBGD O=C(O)[C@@]12C[C@@H](NCc3ccccc3B(O)O)C[C@@H]1C2 1602207842 ATEXFWKMRALAQU-SUNKGSAMSA-N 275.113 -0.291 50 20 CBGD CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H](C)O)o1 1603407470 ZTTKPZCIOFZSKE-RXMQYKEDSA-N 281.276 -0.198 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CC(=O)O 1603449842 XVFILMPPFZKIIU-UHFFFAOYSA-N 275.261 -0.867 50 20 CBGD COC(=O)[C@H](C)n1cccc1C=NNC(=O)NCC(=O)O 1606322637 GIIZJSQLPXHQAX-QMMMGPOBSA-N 296.283 -0.060 50 20 CBGD O=C(CN1CCCNC1=O)NNc1ccc(C(=O)O)cn1 1610664560 VKQKNKBCPZPZHJ-UHFFFAOYSA-N 293.283 -0.362 50 20 CBGD CCN(CC)CC(=O)NNC(=O)Cc1cc[nH]n1 106417681 CSSGNUNSGOPPSK-UHFFFAOYSA-N 253.306 -0.559 50 20 CBGD O=C(NCc1ccco1)NNC(=O)C(=O)N1CCCC1 133799549 KHJDFEWGZZNJDS-UHFFFAOYSA-N 280.284 -0.268 50 20 CBGD CNC(=O)NNC(=O)CNC(=O)CC1CCCC1 161022406 PPQUWXRXCCOPRP-UHFFFAOYSA-N 256.306 -0.357 50 20 CBGD NC[C@H]1CN(CC(=O)NNC(=O)c2cccs2)CCO1 165742277 PCMBRZNTKYZHJG-VIFPVBQESA-N 298.368 -0.831 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCS1(=O)=O)c1cccnc1 273238757 TWJUKWHFXIKJPP-SNVBAGLBSA-N 297.336 -0.190 50 20 CBGD C=C[C@@](C)(CC)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 276065610 DWRDBJIMGJAPHY-KCJUWKMLSA-N 291.373 -0.326 50 20 CBGD C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNc2ccc(C(N)=O)nn2)O1 282092949 DCTHJCRKIRJPSM-XSSZXYGBSA-N 279.300 -0.168 50 20 CBGD CN(C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 299399101 VATSVFWQYTUJLK-UHFFFAOYSA-N 260.294 -0.187 50 20 CBGD CCOC(=O)NNS(=O)(=O)C[C@@H]1CCCO1 491318567 CTTHUZOEIWDUKZ-ZETCQYMHSA-N 252.292 -0.254 50 20 CBGD Cc1nc(CCNC(=O)c2ccc(B(O)O)cc2)no1 584941990 OYWUPKOORUJMLO-UHFFFAOYSA-N 275.073 -0.970 50 20 CBGD CC[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@@H]1O 584967295 IOTHKXPVAWGPRZ-UFBFGSQYSA-N 281.092 -0.652 50 20 CBGD O=C(N[C@@H](CO)CC1CC1)c1cccc(B(O)O)c1 584969050 IQGUGXJYHKTDGO-GFCCVEGCSA-N 263.102 -0.743 50 20 CBGD OB(O)c1ccc(CNc2ccc(C3(O)COC3)cc2)o1 585041821 VYDTVRYQWWKMFR-UHFFFAOYSA-N 289.096 -0.211 50 20 CBGD CN(C)Cc1ccc(S(=O)(=O)NCB(O)O)cc1 585059428 NISHDAPBBNCVEO-UHFFFAOYSA-N 272.135 -0.962 50 20 CBGD COc1ccc2c(c1)C=C(S(=O)(=O)NCB(O)O)CC2 585059569 SNHZSJYBWSKHSK-UHFFFAOYSA-N 297.141 -0.086 50 20 CBGD N#Cc1cccc(C(=O)NNS(=O)(=O)c2cn[nH]c2)c1 728853535 RFINIQQQAKCJFQ-UHFFFAOYSA-N 291.292 -0.095 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)CN(C)C(=O)O 736899916 LRCXQAMKNYDZPE-UHFFFAOYSA-N 288.304 -0.952 50 20 CBGD O=C(NNC(=O)c1ccon1)c1ccc(-n2cnnn2)cc1 747148423 XUUWLGBJXZLVCT-UHFFFAOYSA-N 299.250 -0.275 50 20 CBGD CN1N=C(C(=O)NNC(=O)c2cccn2C)CCC1=O 761820444 UICRDPIBLCLREG-UHFFFAOYSA-N 277.284 -0.606 50 20 CBGD CC(C)c1nccnc1NNC(=O)Cn1cnnn1 772833739 LCCXWXOTTKCWNY-UHFFFAOYSA-N 262.277 -0.270 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1cnn(C)c1 779351966 WQDVVVRCJHBQQD-QMMMGPOBSA-N 285.304 -0.376 50 20 CBGD COc1cccc(C[C@H](O)C(=O)NNC(C)=O)c1 785401044 MMZCRMKGMKTLNW-NSHDSACASA-N 252.270 -0.234 50 20 CBGD CCCNC(=O)CNC(=O)NNC(=O)c1cccc(C)n1 792777742 IPZLDQKIQABRGM-UHFFFAOYSA-N 293.327 -0.140 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2C)n1 794084218 POMADEXQNSBCCZ-JTQLQIEISA-N 276.296 -0.228 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@](C)(O)C1CC1 805578002 LRPMCPUNCQRJBR-JMCQJSRRSA-N 272.301 -0.364 50 20 CBGD C[C@H]1CC(=O)CC[C@@H]1C(=O)NNC(=O)N1CCN(C)CC1 807379835 FWKNXGIFJZIUTL-JQWIXIFHSA-N 296.371 -0.020 50 20 CBGD O=C(O)CSCC(=O)NNc1ncc(F)cn1 821536335 DCJDQAGTUDTHHS-UHFFFAOYSA-N 260.250 -0.123 50 20 CBGD CCNC(=O)NNC(=O)C1CCN(C(=O)OC)CC1 823800026 YJFPBFCZYFBDIO-UHFFFAOYSA-N 272.305 -0.185 50 20 CBGD CCC[C@@H](C(=O)NNC(=O)NC(C)C)S(N)(=O)=O 824404151 LDWJIIZLHLNAAB-ZETCQYMHSA-N 280.350 -0.818 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1ncccc1F 824620849 BNFPMWRIUVIKPN-UHFFFAOYSA-N 268.248 -0.093 50 20 CBGD COc1cc(C)nc(NNC(=O)NC2CN(C(=O)O)C2)n1 829102312 WNOASZSACLFUPA-UHFFFAOYSA-N 296.287 -0.218 50 20 CBGD CO[C@H](CN)CC(=O)NNc1nc(-c2cccnc2)no1 831890782 XUCZIUMTQAXPCI-VIFPVBQESA-N 292.299 -0.062 50 20 CBGD CCN1C[C@H](NC(=O)NNC(=O)[C@H]2CCCCO2)CC1=O 836608592 VOHVBCNVZNTKHL-NXEZZACHSA-N 298.343 -0.493 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)N(C)CC1CC1 842592694 NWULISPROUVOJI-WCBMZHEXSA-N 291.373 -0.381 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H]([C@H](C)N)C1 843353302 GDNIEJKIVDXTIX-GARJFASQSA-N 270.377 -0.009 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@]1(O)CCOC1)C1CC1 855094347 ARMFEGWPLJRPCA-CPCISQLKSA-N 273.358 -0.568 50 20 CBGD CC[C@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)c1cn[nH]c1 858170417 JZNFLETVEQVMIJ-YUMQZZPRSA-N 296.331 -0.343 50 20 CBGD C[C@@H]1[C@H](C(=O)NNC(=O)c2cn[nH]c2)CCN1C 862470077 ZHKQGJLYBQRJKE-VXNVDRBHSA-N 251.290 -0.489 50 20 CBGD CC1(C)C[C@](C)(NC(=O)c2cccc(B(O)O)c2)C(=O)O1 863883671 IZCIGWINIFHSPA-AWEZNQCLSA-N 291.112 -0.420 50 20 CBGD COCCOCC(=O)NN=C1CC(=O)N2CCCC[C@@H]12 872400327 JDHRKLTYLRSKDI-NSHDSACASA-N 283.328 -0.094 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1CCCN1C=O 887148905 BHOQTUNCNAIHCS-SNVBAGLBSA-N 251.286 -0.442 50 20 CBGD CN1CCO[C@@H](C(=O)NNc2ncc(Cl)cn2)C1=O 912826564 VFTOBEABESWRJW-ZETCQYMHSA-N 285.691 -0.570 50 20 CBGD O=C(CN1CCCNC1=O)NNC(=O)c1ccccc1O 915259785 YSIJSLLZBQXMLU-UHFFFAOYSA-N 292.295 -0.432 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCOCC[C@@H]1C 934451823 FNHQESLZWLHZQT-JTQLQIEISA-N 257.334 -0.099 50 20 CBGD O=C(CO[C@H]1CCOC1)NNC(=O)c1ccncc1 1116205098 NTHJSHXZUGAKGQ-JTQLQIEISA-N 265.269 -0.352 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)n1cccc1 1116413637 DLUROHQVHPDLQV-NXEZZACHSA-N 299.352 -0.369 50 20 CBGD COC(=O)NNS(=O)(=O)c1cncc(C#N)c1 1117646880 VIEKMXVUWJJVST-UHFFFAOYSA-N 256.243 -0.497 50 20 CBGD COCCCNC(=O)NNC(=O)COCc1ccncc1 1261216744 LSWGALHBRCSOEU-UHFFFAOYSA-N 296.327 -0.035 50 20 CBGD C[C@@H](C(=O)NNC(=O)CC1CC1)n1cnc(C#N)n1 1261251393 WFDBBMMQEBCRSF-ZETCQYMHSA-N 262.273 -0.342 50 20 CBGD CCNC(=S)NNC(=O)CCN1CCOCC1 1318441914 DBPFLFJWSFWETC-UHFFFAOYSA-N 260.363 -0.776 50 20 CBGD CC(C)(C=NNC(=O)N1CCOCC1)S(C)(=O)=O 1319495738 MIKAMLOZHPNDAZ-UHFFFAOYSA-N 277.346 -0.163 50 20 CBGD Cn1nncc1S(=O)(=O)N1CC=C(C#N)CC1 1321079922 SVZLOFINNUOXOV-UHFFFAOYSA-N 253.287 -0.341 50 20 CBGD CC(C)NC(=O)NNC(=O)c1ccc2nnc(O)n2c1 1323134340 LFMWOTPLPRTQBE-UHFFFAOYSA-N 278.272 -0.213 50 20 CBGD COCCn1nc(C(=O)NNC(=O)CC2CC2)ccc1=O 1324615073 CIBJBFHKTHTGCP-UHFFFAOYSA-N 294.311 -0.549 50 20 CBGD Cc1cc(CC(=O)NNC(=O)C[C@@H]2CCOC2)n[nH]1 1329527301 SSEXDTGOKHMKIL-VIFPVBQESA-N 266.301 -0.165 50 20 CBGD CO[C@]1(C=NNC(=O)[C@@H]2CCC(=O)N2)CCOC1 1329556158 FFPBIXDEXXTKGE-KWQFWETISA-N 255.274 -0.828 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C1CCSCC1 1331833006 GAOIYRUIJONQEE-UHFFFAOYSA-N 280.371 -0.678 50 20 CBGD CN(C)C1(C(=O)NNc2nccn(C)c2=O)CC1 1331867069 AEVHCZVFJLGHGR-UHFFFAOYSA-N 251.290 -0.682 50 20 CBGD Cc1nn(C)c(N)c1C=NNC(=O)[C@H]1CCC(=O)N1 1335347358 PDCCULLBLLTTPE-MRVPVSSYSA-N 264.289 -0.961 50 20 CBGD COC(=O)N(C)NC(=O)N[C@H]1CC(=O)N(C(C)C)C1 1336435094 VGOLJIKPHCROBZ-QMMMGPOBSA-N 272.305 -0.092 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)o1 1336669881 PWUYODVEFNZUCO-ZETCQYMHSA-N 262.225 -0.809 50 20 CBGD CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1csnn1 1343881454 HIBQZPZFFCWWQW-SSDOTTSWSA-N 288.354 -0.187 50 20 CBGD CC(C)[C@@H](N)C(=O)NCCC(=O)NNC(=O)C(C)(C)C 1575442507 TUGHBEKCFNMXQH-SNVBAGLBSA-N 286.376 -0.331 50 20 CBGD C[C@]1(C(=O)NNc2ccccc2S(N)(=O)=O)CCCN1 1579509246 CDWZBDDLSDTBCN-GFCCVEGCSA-N 298.368 -0.081 50 20 CBGD Cc1nc(C)c(C(=O)NNC(=O)NC2CCNCC2)[nH]1 1579852496 AHVTVSCNEXDECZ-UHFFFAOYSA-N 280.332 -0.277 50 20 CBGD O=C(NNC(=O)C1(n2cccn2)CC1)NC1CCNCC1 1580733455 VBDOHJXBIHCGOL-UHFFFAOYSA-N 292.343 -0.545 50 20 CBGD CN(C)C(=O)NNC(=O)C1(C(=O)O)CCSCC1 1593686225 DGLBQPTXZNWXHL-UHFFFAOYSA-N 275.330 -0.113 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)NC[C@](C)(O)C(=O)O)cn1 1600946801 PINPVDQDNWHRRA-KBNZMGLGSA-N 278.268 -0.721 50 20 CBGD N#Cc1ccc(CNC(=O)NNC(=O)C(=O)O)c(F)c1 1601101400 OIOGPBYSMNJUNR-UHFFFAOYSA-N 280.215 -0.388 50 20 CBGD Nc1ncn(CC(=O)NNc2cccc(C(=O)O)c2)n1 1601222208 MUSLBWCALRNOLP-UHFFFAOYSA-N 276.256 -0.298 50 20 CBGD CO[C@H]1C[C@@H](C(=O)O)CN(S(=O)(=O)CCl)C1 1777159192 MQNBXQSTEIYJDP-RQJHMYQMSA-N 271.722 -0.066 50 20 CBGD O=C(NNC(=O)c1cnc2n(c1=O)CCS2)NC1CC1 49150949 VRKCQMIKEHWJRR-UHFFFAOYSA-N 295.324 -0.545 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)Cc2ccccc2F)C1 81369170 KFKJZHFJPDOWIX-LBPRGKRZSA-N 295.314 -0.154 50 20 CBGD O=C(Cn1nnc2ccccc2c1=O)NNc1cnccn1 114878778 RRZNPJYNHPKFCR-UHFFFAOYSA-N 297.278 -0.275 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2ccc(C(N)=O)s2)[nH]n1 151168658 WMMCCUZLWVGSCT-UHFFFAOYSA-N 293.308 -0.047 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCNC(=O)C2)cc1 151352146 GPIVQFYRKWLNPK-LLVKDONJSA-N 286.291 -0.155 50 20 CBGD Cn1c(NNC(=O)[C@H]2CCNC2)nc2ccccc2c1=O 237870463 YFUQSWBVPRFMKP-VIFPVBQESA-N 287.323 -0.014 50 20 CBGD COCC(=O)N[C@H](C(=O)NNC(=O)OC)C(C)C 274298830 POZRLWZMIFBXQQ-QMMMGPOBSA-N 261.278 -0.839 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@](C)(O)Cc1ccccc1 277972475 NLHHMZHDTIMZKS-AWEZNQCLSA-N 280.324 -0.102 50 20 CBGD CSSCCNC(=O)Cn1ncn(C)c1=O 284081835 MMVHAUAIVUSNID-UHFFFAOYSA-N 262.360 -0.291 50 20 CBGD CC(=O)NNC(=O)c1ccccc1OCC(=O)N(C)C 299311077 WFEABNBYQZWBQI-UHFFFAOYSA-N 279.296 -0.066 50 20 CBGD CCN(CCN)CC(=O)NNC(=O)c1cccs1 305916280 AWMQPKRMCXKNIJ-UHFFFAOYSA-N 270.358 -0.210 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1C[C@H]1c1nc[nH]n1 584912575 HNJPDDBSENBAQP-NXEZZACHSA-N 272.073 -0.773 50 20 CBGD CC(C)(O)[C@@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F 584966157 ZLAIXVQTGVIFDU-LBPRGKRZSA-N 295.119 -0.119 50 20 CBGD CCOCC(C)(C)NC(=O)c1ccc(B(O)O)cc1 584992253 JNZSHYVMTLJQHM-UHFFFAOYSA-N 265.118 -0.089 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCOC2)C1 584994727 NBMVLNRMUFKAAW-UHFFFAOYSA-N 261.086 -0.771 50 20 CBGD C[C@H]1CCC[C@]1(O)CNC(=O)c1ccc(B(O)O)cc1 584995474 UYPOMHLDJYQMIH-HZMBPMFUSA-N 277.129 -0.353 50 20 CBGD CO[C@@H](C1CC1)[C@H](C)NC(=O)c1ccc(B(O)O)cc1 584996766 PEYPHVTURJVILU-TVQRCGJNSA-N 277.129 -0.090 50 20 CBGD C[C@@H]1C[C@H](O)CN(C(=O)c2cccc(B(O)O)c2)C1 585001370 VMLHKTMJZZWKSM-SKDRFNHKSA-N 263.102 -0.791 50 20 CBGD CCN(CC)C(=O)CCNCc1ccccc1B(O)O 585017189 OOTGFLRHZZDFAC-UHFFFAOYSA-N 278.161 -0.286 50 20 CBGD C[C@H](CNCc1ccc(B(O)O)o1)CN1CCCC1 585017575 ZUBNMOXLDMVBLK-LLVKDONJSA-N 266.150 -0.219 50 20 CBGD COc1ncccc1CNCc1ccc(B(O)O)o1 585017971 PGEWILZYPFXJDF-UHFFFAOYSA-N 262.074 -0.347 50 20 CBGD COc1c(CNCc2ccc(B(O)O)cc2)c(C)nn1C 585037295 YCVAYMAIQOUNIX-UHFFFAOYSA-N 289.144 -0.293 50 20 CBGD O=C(CNC(=O)c1cccs1)NNC(=O)c1nc[nH]n1 746162124 JOSPBDGQDFKDJM-UHFFFAOYSA-N 294.296 -0.943 50 20 CBGD CC[C@@H](C(=O)NNc1nccn(C)c1=O)N1CCCC1=O 747937623 JEAPEBLSHPKFPI-VIFPVBQESA-N 293.327 -0.376 50 20 CBGD CCOCCNC(=S)NNC(=O)[C@@H](C)OCCOC 748608027 QLUXLTAKEBSBBO-SECBINFHSA-N 293.389 -0.430 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCCSC 748627473 IGTKYAZXWDVOPW-MRVPVSSYSA-N 279.362 -0.269 50 20 CBGD COCC(=O)NNC(=O)Nc1cccc(C(N)=O)c1OC 757998652 OFGAYXKSQIGINQ-UHFFFAOYSA-N 296.283 -0.407 50 20 CBGD NC(=O)C(=O)NN=C1CCN(c2nccs2)CC1 764658286 PDMUVYFCRZLEJW-UHFFFAOYSA-N 267.314 -0.299 50 20 CBGD CC#CCCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 776206555 UJDGMRHFKSYYGP-NSHDSACASA-N 273.358 -0.219 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)c2cnn(C)c2)CCO1 776324865 FOMHXTRIVFCQGM-RKDXNWHRSA-N 266.301 -0.004 50 20 CBGD CCCc1nnc(SCC(=O)NNC(C)=O)n1N 813363183 FAZJYSZTFLJOER-UHFFFAOYSA-N 272.334 -0.796 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CCc2cncn2C1 823798113 AVYXFCNUSJCNDC-MRVPVSSYSA-N 251.290 -0.204 50 20 CBGD CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1C 823994987 VYASVAYFLPCPGO-UHFFFAOYSA-N 260.257 -0.044 50 20 CBGD CC(C)(C)C(=O)NNC(=O)Cn1ccnc1-c1nn[nH]n1 824072206 SXPSJXOILYJFDA-UHFFFAOYSA-N 292.303 -0.743 50 20 CBGD CCOCC(=O)NNC(=O)NCCOCCF 824331384 TVRBQNYZJPUUNQ-UHFFFAOYSA-N 251.258 -0.661 50 20 CBGD COCCO[C@H](C)C(=O)NN[C@H](C(=O)O)c1cccnc1 831757450 PTKRSAFNBGVSHJ-KOLCDFICSA-N 297.311 -0.120 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ncn(C)n1 831835173 LAVSWFFVRRJLQL-RQJHMYQMSA-N 268.277 -0.607 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](CNC)C1 843346813 QQOCTFNHBPQSCL-WDEREUQCSA-N 270.377 -0.136 50 20 CBGD COC(=O)C12CC(C(=O)NNc3nc[nH]n3)(C1)C2 844143974 NNXWPCRAFBFCGW-UHFFFAOYSA-N 251.246 -0.409 50 20 CBGD O=C(NNc1ncc(F)cn1)[C@H]1CCc2nnnn2CC1 845894754 IQFWXZSEHLRGAO-ZETCQYMHSA-N 292.278 -0.302 50 20 CBGD C[C@H]1CCN(S(=O)(=O)NNC(=O)c2cc[nH]n2)C1 849310937 WDCCUDVESXRIMK-ZETCQYMHSA-N 273.318 -0.769 50 20 CBGD Cn1cncc1C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 853388250 BAGQNQVLNQLIKI-PWSUYJOCSA-N 277.328 -0.267 50 20 CBGD CCC[C@@H](C(=O)NNC(=O)OC(C)(C)C)S(N)(=O)=O 854159945 BVCFEBYFBOHKDR-ZETCQYMHSA-N 295.361 -0.001 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CCc2cc(F)ccc21 857170626 QAFHGOJCQUZYPI-JTQLQIEISA-N 252.245 -0.005 50 20 CBGD O=C(CO)NNC(=O)C[C@H](n1cccn1)C(F)(F)F 857170832 UEHSJGMCXBVBBV-LURJTMIESA-N 280.206 -0.484 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CC=CCC2)N1 862449841 KRBMYBXQESLBAT-BDAKNGLRSA-N 251.286 -0.231 50 20 CBGD CC(C)OC(=O)CCNC(=O)c1cc(B(O)O)ccc1F 863869451 NRZRYZPSBRANCP-UHFFFAOYSA-N 297.091 -0.423 50 20 CBGD CCCOCC(=O)NNC(=O)Cc1cc(C)[nH]n1 869012496 STDHESSXTCMSNO-UHFFFAOYSA-N 254.290 -0.165 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CC1(F)F 869903731 GYDCDMSGGFZGKY-LURJTMIESA-N 252.217 -0.548 50 20 CBGD CC(=O)NNC(=O)c1ccc(CN2CCOCC2)o1 877960725 AETUFSLVXGBYLQ-UHFFFAOYSA-N 267.285 -0.107 50 20 CBGD OC[C@@H](C[C@@H]1CCCO1)NCc1ccc(B(O)O)cc1 895746526 DQTZNJZOXNVTQD-KGLIPLIRSA-N 279.145 -0.614 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1nnc2ccccc2n1 910149153 ARNIMNDTVXCVAM-MRVPVSSYSA-N 261.285 -0.018 50 20 CBGD O=C(C#Cc1cccs1)NNC(=O)CN1CCCC1=O 913733267 CIBXSOGFZFKXCM-UHFFFAOYSA-N 291.332 -0.131 50 20 CBGD CCCNC(=O)NNC(=O)c1cccc(OCC(N)=O)c1 921039549 RCRLHXDUMHZTAQ-UHFFFAOYSA-N 294.311 -0.095 50 20 CBGD Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@@H]1CCOC1 921207785 ZGJUTNJCUUNGSH-SSDOTTSWSA-N 282.256 -0.269 50 20 CBGD CC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cnn(C)c2)C1 1116087024 GLTPXONFDBGQJU-JTQLQIEISA-N 293.327 -0.560 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1116242834 GLLAFBXDGCILFJ-CYBMUJFWSA-N 296.327 -0.553 50 20 CBGD Cc1noc(CCCC(=O)NNc2nc[nH]n2)n1 1261245939 ULCFCGZTVQMMFC-UHFFFAOYSA-N 251.250 -0.038 50 20 CBGD NC(=O)NCc1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1 1261844736 ZCKMFTVKWCXCEE-LLVKDONJSA-N 291.116 -0.456 50 20 CBGD COCCCNC(=O)NNC(=O)CCc1nc(C)no1 1318030274 NKJQAWWJPPPBGB-UHFFFAOYSA-N 285.304 -0.322 50 20 CBGD Cc1cc(C(=O)NNc2ccc(C(N)=O)nn2)ncn1 1319717781 UYTATIODXNYHMR-UHFFFAOYSA-N 273.256 -0.569 50 20 CBGD Nc1cnnc(NNC(=O)C2(O)CCOCC2)c1Cl 1321361847 ZCUTXGRSNDDKEU-UHFFFAOYSA-N 287.707 -0.303 50 20 CBGD C[C@H](O)c1cn(CC(=O)NNC(=O)c2ccc[nH]2)nn1 1322603927 ADGZLXGRIXQWDE-ZETCQYMHSA-N 278.272 -0.879 50 20 CBGD Cn1cc(C(=O)NNC(=O)N[C@H]2CCSC2)cn1 1324951600 CBABCQFRYIWOSC-QMMMGPOBSA-N 269.330 -0.130 50 20 CBGD COCCCOCCC(=O)NNc1nccn(C)c1=O 1329571656 MRNYERLPOUENSR-UHFFFAOYSA-N 284.316 -0.333 50 20 CBGD Cc1nn(C)c2ncc(C(=O)N3CC[C@H](B(O)O)C3)cc12 1329671676 LJKCSGITSWAZSZ-JTQLQIEISA-N 288.116 -0.034 50 20 CBGD Cc1cc(C#N)cnc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1330108799 RJHSRVCMVNDCCM-VIFPVBQESA-N 287.279 -0.699 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cn(CC2(C)COC2)nn1 1330880077 QAPIJERBSVDLDK-SECBINFHSA-N 283.332 -0.728 50 20 CBGD Cc1nc[nH]c1C(=O)NNC(=O)C1CCOCC1 1334732893 IQCMFCLGVUIEGN-UHFFFAOYSA-N 252.274 -0.094 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC(C)(C)c1ccncc1 1337020595 WUCGQXKCYNWYIG-UHFFFAOYSA-N 294.311 -0.137 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1ccc(C#N)cc1 1351668529 XRYHKQQIXOMFKF-UHFFFAOYSA-N 295.320 -0.707 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccc(C(=O)O)cn1 1574163360 NDLBSEHCQGONAG-UHFFFAOYSA-N 297.267 -0.796 50 20 CBGD O=C(CN1CCNCC1)NNCC(F)(F)C(F)(F)F 1574300831 XTWGQJMXPOWYQZ-UHFFFAOYSA-N 290.236 -0.290 50 20 CBGD CCOC(=O)N1CCC(C(=O)NNC(=O)[C@H]2CCN2)CC1 1577967862 YERXQCCYAIGJBK-SNVBAGLBSA-N 298.343 -0.636 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1N 1578565352 NNTFJXIAUBPANC-MAUMQABQSA-N 256.375 -0.173 50 20 CBGD C[S@](=O)c1ccc(CC(=O)NNC(=O)[C@@H]2CCN2)cc1 1579357966 SZEZKWLTYOZLEU-YBTHPKLGSA-N 295.364 -0.524 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H](O)CN)c2ccccc2n1 1579565778 XRTPIWSAEVPWMF-LBPRGKRZSA-N 288.307 -0.376 50 20 CBGD O=C(NNc1ccncn1)c1ccc(-c2nn[nH]n2)[nH]1 1593167177 AUJXBMNOZIPSAC-UHFFFAOYSA-N 271.244 -0.258 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@H](C)CC(=O)O 1599227206 PKVFXZAZTSWEQX-MRVPVSSYSA-N 291.373 -0.029 50 20 CBGD O=C(NCCOCC1CCCC1)NNC(=O)C(=O)O 1601505572 OEXUJEQLBPGVNM-UHFFFAOYSA-N 273.289 -0.392 50 20 CBGD O=C(NC[C@H](F)C(=O)O)NNC(=O)[C@H]1CCCS1 1601522076 WWPPGPNWQPHSKY-NTSWFWBYSA-N 279.293 -0.365 50 20 CBGD O=C(NNC(=O)C12CC(C(=O)O)(C1)C2)NC1CC1 1601553812 WGSSHDKNOJHHCI-UHFFFAOYSA-N 253.258 -0.266 50 20 CBGD O=C(O)CCCCCNC(=O)c1cc(B(O)O)ccc1F 1601985430 HZECBMHUWMYGRP-UHFFFAOYSA-N 297.091 -0.120 50 20 CBGD CNC(=O)NNC(=S)Nc1ccccc1-c1nn[nH]n1 1604885842 COGCDBHRFLIITO-UHFFFAOYSA-N 292.328 -0.003 50 20 CBGD CCn1c(NNC(=O)CN)nc2ccccc2c1=O 151541242 NMVUEXHADJWDMH-UHFFFAOYSA-N 261.285 -0.182 50 20 CBGD CCCCOCC(=O)NNC(=O)Cc1cc[nH]n1 186112105 DXLGLUMXKSVHQZ-UHFFFAOYSA-N 254.290 -0.084 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)Cn2nc(C)cc2C)C1 188161884 XIOQTUQZLRVZKJ-UHFFFAOYSA-N 293.327 -0.874 50 20 CBGD COC(=O)NCC(=O)NNc1ccc(Cl)nn1 265564421 VUTUOWJCYLGCIV-UHFFFAOYSA-N 259.653 -0.071 50 20 CBGD COc1cc(C)nc(NNC(=O)NCCn2cncn2)n1 266935485 GSXJXPVEYQUQOW-UHFFFAOYSA-N 292.303 -0.289 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]21 290787898 SRVICONZKBOLBX-IVZWLZJFSA-N 294.311 -0.020 50 20 CBGD CC1=C(C(=O)NNC(=O)NC(C)C)Cn2nnnc2N1C 294723370 MRHZIJZBIRWYOB-UHFFFAOYSA-N 294.319 -0.864 50 20 CBGD CN(C)C(C)(C)CNC(=O)c1ccc(B(O)O)c(F)c1 584925409 UNRPOLUSSBHRBN-UHFFFAOYSA-N 282.124 -0.425 50 20 CBGD O=C(N[C@@H](CCO)C1CC1)c1ccc(B(O)O)c(F)c1 584963389 SSZNOKIPDPCIDZ-LBPRGKRZSA-N 281.092 -0.604 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCOC2(CCC2)C1 584969496 VBPPHVNGLDVFFD-UHFFFAOYSA-N 275.113 -0.239 50 20 CBGD CO[C@H]1CC[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1 584980145 RNTZYADPWPQIGC-NEPJUHHUSA-N 263.102 -0.336 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@@H](C)N1C 584994857 OQUHOKJFBNFNBZ-AOOOYVTPSA-N 294.135 -0.330 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@H](C)C1O 585008944 ZDXGSRQOOROKAU-IUCAKERBSA-N 295.119 -0.406 50 20 CBGD CCNC(=O)[C@@H](NCc1ccccc1B(O)O)C(C)C 585043971 XOSHYHANPZRFIV-ZDUSSCGKSA-N 278.161 -0.383 50 20 CBGD CS(=O)(=O)c1ccccc1NNC(=O)CNC(=O)O 738141736 DXICDKXHPWJGMR-UHFFFAOYSA-N 287.297 -0.199 50 20 CBGD COCCCOc1ccc(C(=O)NNC(=O)CO)cc1 753439357 MKGYFWBHMJMUAK-UHFFFAOYSA-N 282.296 -0.145 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCOC[C@H](C)C1 754386382 ZGXRMZULPZTMMB-NXEZZACHSA-N 257.334 -0.099 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CCCCO1 755290529 QAEXJVATIVCMDG-SECBINFHSA-N 252.274 -0.331 50 20 CBGD O=C(NNC(=O)c1ccc[nH]1)c1ccc2nnnn2c1 758157214 JBYLFHZNEXUMPV-UHFFFAOYSA-N 271.240 -0.473 50 20 CBGD COC(=O)CCCC(=O)NNC(=O)c1c[nH]nc1C 764460907 CGONRSGQKPINAQ-UHFFFAOYSA-N 268.273 -0.178 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H](O)C(C)(C)C 765005102 WQOCKOOAESIGFN-QMMMGPOBSA-N 254.290 -0.114 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C#N)c[nH]1 772170506 QMLCKUYGBGBKQI-ZETCQYMHSA-N 278.268 -0.011 50 20 CBGD CS(=O)(=O)C1(C(=O)NNC(=O)NC2CCCC2)CC1 792102885 QWOBMYXFPFFDRI-UHFFFAOYSA-N 289.357 -0.163 50 20 CBGD CCNC(=O)N(C)NC(=O)/C=C1\SCC(=O)N1C 821783348 HLUDKKUNLHHMHA-UITAMQMPSA-N 272.330 -0.275 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC(=O)NC1CC1 825610758 KKWMDEKTEOJUOW-IONNQARKSA-N 284.316 -0.980 50 20 CBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)NC1CCCC1 847400913 ATJKJBYNIUNRDE-DTWKUNHWSA-N 268.317 -0.229 50 20 CBGD CS(=O)(=O)CCC(=O)NNC(=O)[C@@H]1CCCCO1 854682910 HOUDMBSRAMPJRD-QMMMGPOBSA-N 278.330 -0.862 50 20 CBGD O=C(CCCC(=O)C1CC1)NNC(=O)[C@H]1CCC(=O)N1 862460899 LEGSIRIBZRTGEL-SECBINFHSA-N 281.312 -0.438 50 20 CBGD O=C1OCC[C@@H]1CCOc1ccc(B(O)O)cc1 863865360 CPQKVNLZSGWQNN-VIFPVBQESA-N 250.059 -0.302 50 20 CBGD O=S(=O)(CC[C@@H]1CCCO1)N1CC[C@H](B(O)O)C1 864231629 QBIBULNTLQZQDL-UWVGGRQHSA-N 277.151 -0.566 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 910152482 MBRCEZUAQPARFS-LPEHRKFASA-N 257.334 -0.378 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)CC(F)(F)F 920810633 ZAYLDBIBCYNZIB-UHFFFAOYSA-N 255.196 -0.436 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1cncc(F)c1 1115929413 LBRJUCBPEUSUTP-UHFFFAOYSA-N 262.266 -0.315 50 20 CBGD Cc1nn2cccnc2c1C(=O)N1CC[C@H](B(O)O)C1 1118976024 UAROEACYDXQDEW-VIFPVBQESA-N 274.089 -0.273 50 20 CBGD O=C(CCOC1CCOCC1)NNc1nc[nH]n1 1261245545 GCQPRWLVJUJBNW-UHFFFAOYSA-N 255.278 -0.167 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(C2CC2)on1 1317797493 BOKMOJJLCABSHO-UHFFFAOYSA-N 280.284 -0.162 50 20 CBGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccc[nH]1 1319029164 YQPCTFLRHQBBAO-QMMMGPOBSA-N 265.273 -0.681 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1cncc(C)c1 1319559295 ZXLKJINBWKBNJI-UHFFFAOYSA-N 266.257 -0.607 50 20 CBGD COC(=O)CNC(=O)NNC(=S)NC1CCOCC1 1319927864 MYVHKXDVBHQBPB-UHFFFAOYSA-N 290.345 -0.983 50 20 CBGD O=C(CCN1CCOCC1)NNC(=S)NC1CCC1 1324212795 DXETYYQWPUHLKZ-UHFFFAOYSA-N 286.401 -0.244 50 20 CBGD CN(NC(=O)CNS(=O)(=O)c1ccccc1)C(N)=O 1325913855 OBLRCPFCKKOHOA-UHFFFAOYSA-N 286.313 -0.993 50 20 CBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)Cc1cccnc1 1326743912 PCWAKQQAYQGLDE-UWVGGRQHSA-N 276.296 -0.717 50 20 CBGD CC(C)C#CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1328730607 WHXMDFIIMILYKV-VIFPVBQESA-N 287.341 -0.837 50 20 CBGD CCn1ncc(Cl)c1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1329077797 IINUZYFKRXFZMM-SSDOTTSWSA-N 299.718 -0.404 50 20 CBGD CC(C)CNC(=O)CNC(=O)NNC(=O)c1cn[nH]c1 1329158273 CQEUSHUDVDIDQV-UHFFFAOYSA-N 282.304 -0.874 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccc(S(N)(=O)=O)o1 1331204087 PTOQZIHAQRVOHH-UHFFFAOYSA-N 292.342 -0.992 50 20 CBGD O=C(Cc1ccc(F)cn1)N1CC[C@@H](B(O)O)C1 1331924156 HQKIOHBUZJKGBI-MRVPVSSYSA-N 252.054 -0.162 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@H](C)c1nnc(C)o1 1337753904 WIEIBZOVZDWRCU-RNFRBKRXSA-N 269.305 -0.025 50 20 CBGD Cn1ccnc(NNC(=O)c2ccc(C#N)[nH]2)c1=O 1341388130 FNTRYQHCXWAEOD-UHFFFAOYSA-N 258.241 -0.263 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCc2nncn2C1 1346067659 HCJKJYOTYANILT-GUBZILKMSA-N 293.327 -0.587 50 20 CBGD CCNC(=O)NNC(=O)CCCCCS(N)(=O)=O 1349546312 XRGGYVGPDAHYSA-UHFFFAOYSA-N 280.350 -0.814 50 20 CBGD CCS(=O)(=O)c1ccccc1CC(=O)NNC(=O)CN 1578212940 MJGISGAQDOKNPN-UHFFFAOYSA-N 299.352 -0.871 50 20 CBGD CO[C@@H](CN)C(=O)NNC(=O)CSc1ccccc1O 1579111261 WZVRNUGASDWTCQ-VIFPVBQESA-N 299.352 -0.395 50 20 CBGD Cn1ncc(N)c1C(=O)NNC(=O)OCC(F)(F)F 1580005038 SJJFNINJBYGXFT-UHFFFAOYSA-N 281.194 -0.064 50 20 CBGD C=C[C@H](NNC(=O)CNC(=O)c1ccco1)C(=O)O 1588700435 IAPLREZXBZNGPX-ZETCQYMHSA-N 267.241 -0.731 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(C(=O)O)CCC1 1589415344 IAMSPLYHIBADQF-JGVFFNPUSA-N 270.285 -0.186 50 20 CBGD C[C@H](O)CN(C)NC(=O)CCc1ocnc1C(=O)O 1593457069 PKSNDYBEKLRSBC-ZETCQYMHSA-N 271.273 -0.351 50 20 CBGD COC(=O)COc1ccc(C=NNC(=O)C(=O)O)cc1 1598866469 IACQFAXVQXXKJG-UHFFFAOYSA-N 280.236 -0.227 50 20 CBGD O=C(O)CNC(=O)NN=C1C(=O)Nc2c(F)cccc21 1602071160 FCMJSFSZQUOQLI-UHFFFAOYSA-N 280.215 -0.134 50 20 CBGD Cc1cc(C(=O)NNC(=O)C2CC2)ncc1-c1nn[nH]n1 1605621851 MYZVZOBMCSBVCR-UHFFFAOYSA-N 287.283 -0.259 50 20 CBGD C[C@H](CN1CCCCC1)NC(=O)NNC(=O)C(=O)O 1609742771 QIMYWJYWWAHVGA-MRVPVSSYSA-N 272.305 -0.724 50 20 CBGD CC[C@@H](C)[C@H](CNC(=O)NNC(=O)C(=O)O)OC 1609898606 HIDFPRLNAORUCC-RQJHMYQMSA-N 261.278 -0.538 50 20 CBGD O=C(NNC(=O)c1cc(C2CC2)[nH]n1)C(=O)NC1CC1 44858243 CGMXSYMJPDGBTP-UHFFFAOYSA-N 277.284 -0.673 50 20 CBGD COC(=O)NNS(=O)(=O)c1ccc(C(N)=O)cc1 48387904 PUKKDKFPNGFJHA-UHFFFAOYSA-N 273.270 -0.665 50 20 CBGD C[C@@H](CN1CCOCC1)NS(=O)(=O)CCl 82512710 VDCXZPUKJWUEEK-QMMMGPOBSA-N 256.755 -0.177 50 20 CBGD CC(C)(O)[C@H]1CCCN1CC(=O)NNC(=O)C1CC1 119169770 ZZEZBOPCXYDMBW-SNVBAGLBSA-N 269.345 -0.221 50 20 CBGD CN(Cc1nnc[nH]1)S(=O)(=O)CBr 127488888 PPPMUQXIYHWWPF-UHFFFAOYSA-N 269.124 -0.081 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ncn(-c2ccccc2)n1 190055586 DMYSQCPSXMQFEQ-UHFFFAOYSA-N 289.295 -0.201 50 20 CBGD CN1C[C@@H](NC(=O)NNC(=O)C2CCC2)CC1=O 267482379 HFWTULDHWUUOSD-QMMMGPOBSA-N 254.290 -0.652 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)[C@H]2CCCC(=O)N2)cc1 270370464 VBNKKQNKXLJHHW-LLVKDONJSA-N 286.291 -0.012 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccccc1-n1cnnn1 276182490 COJLVFBDBMFQRK-UHFFFAOYSA-N 290.283 -0.806 50 20 CBGD C=C(C)[C@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)NC1CC1 278899233 YEFYMQJPUUJVKH-NXEZZACHSA-N 281.312 -0.606 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H](c1cncn1C)N(C)C 286563719 ZXTZUDWPXRFLNN-SECBINFHSA-N 269.305 -0.248 50 20 CBGD CCO/C=C(/C#N)C(=O)NCCN1C(=O)CCC1=O 490752949 HTOLBKNRGFBPQC-HJWRWDBZSA-N 265.269 -0.304 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=O)Cc1cccnc1 491161987 XPTASDKACOUOCB-UHFFFAOYSA-N 280.284 -0.530 50 20 CBGD CCOC(=O)NNC(=O)[C@@H](NC(N)=O)C(C)(C)C 495711534 LCACTTMPTNRSDB-ZCFIWIBFSA-N 260.294 -0.153 50 20 CBGD CN(NC(=O)CN(C)S(C)(=O)=O)C(=O)OC(C)(C)C 496867733 XRHTYVCNUIKZQQ-UHFFFAOYSA-N 295.361 -0.224 50 20 CBGD Cc1nn(C)cc1CCC(=O)Nc1cccc(B(O)O)c1 584910972 FSDSHMRWSYMMGZ-UHFFFAOYSA-N 287.128 -0.020 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1CCc2ncncc2C1 584913065 ZDKVBJVQOMWZAV-JTQLQIEISA-N 297.123 -0.100 50 20 CBGD COCCCN(CCOC)C(=O)c1ccc(B(O)O)cc1 584931901 BSWBYTFJGQCMIV-UHFFFAOYSA-N 295.144 -0.509 50 20 CBGD O=C(NCC1(O)CCCC1)c1ccc(B(O)O)c(F)c1 584944576 BYEOQFLRNBRNHQ-UHFFFAOYSA-N 281.092 -0.460 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCCC[C@@H](CO)C1 584966272 WHLOQQUJSMVAKU-SNVBAGLBSA-N 295.119 -0.260 50 20 CBGD CC[C@](C)(CO)NC(=O)c1cccc(B(O)O)c1 584968399 WYTGNAFQRDLCOK-GFCCVEGCSA-N 251.091 -0.743 50 20 CBGD CN1CC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@H]21 584971298 OIVDZLTWZHIOPI-SMDDNHRTSA-N 288.156 -0.467 50 20 CBGD C[C@H]1c2nncn2CCN1C(=O)c1ccc(B(O)O)cc1 584980657 GXTFNLBMRVYSRT-VIFPVBQESA-N 286.100 -0.825 50 20 CBGD C[C@@H](CN1CCCC1=O)NCc1cccc(B(O)O)c1 585018684 OSKDNVDBCJAFAM-NSHDSACASA-N 276.145 -0.533 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)o1)C(=O)NC1CCCC1 585022392 YKZUILJECPCPCK-SECBINFHSA-N 280.133 -0.504 50 20 CBGD CC[C@@H](NCc1ccc(B(O)O)o1)c1noc(C)n1 585025688 AGLBPNZIPDXPPH-SECBINFHSA-N 265.078 -0.108 50 20 CBGD OB(O)c1ccc(CNC[C@@H](O)c2ccsc2)o1 585028079 HLGVIDHJAMQANE-SNVBAGLBSA-N 267.115 -0.156 50 20 CBGD O=C(NCB(O)O)[C@@H]1CN(Cc2ccccc2)CCO1 585060134 AZQFXRPEBBTYLN-LBPRGKRZSA-N 278.117 -0.984 50 20 CBGD CC(C)(C)[C@@H](C(=O)O)C(=O)N1CC[C@H](B(O)O)C1 585066768 NEYNVEFAQRSLDO-JGVFFNPUSA-N 257.095 -0.191 50 20 CBGD CCNC(=O)NNS(=O)(=O)C[C@H]1CCCCO1 740811747 XSAKBNKILSBIKA-MRVPVSSYSA-N 265.335 -0.291 50 20 CBGD CN(C)C(=O)NNC(=O)C(=O)NCc1ccc(F)cc1 742057584 CFKDUCUIAMSXBH-UHFFFAOYSA-N 282.275 -0.256 50 20 CBGD Cc1ccoc1C=NNC(=O)[C@@H](C)NS(C)(=O)=O 743438450 NMDSTZYVVZYAMI-MRVPVSSYSA-N 273.314 -0.024 50 20 CBGD CCC(=O)NNS(=O)(=O)c1cc(C(=O)OC)n(C)c1 745977113 QZFHARDSBUGOGW-UHFFFAOYSA-N 289.313 -0.469 50 20 CBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccoc2)o1 747183200 VQCPHAUSTKNREI-UHFFFAOYSA-N 299.264 -0.405 50 20 CBGD COC(=O)CN(CC#N)CC(=O)NNC(=O)C(C)(C)C 749155200 BCXDLTYOXSQHAY-UHFFFAOYSA-N 284.316 -0.822 50 20 CBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)CN(C)C)C1 751061161 VXAOUONOFHLPMP-NXEZZACHSA-N 285.344 -0.325 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=S)NCCSC 752764606 PIYWGRLPOIEDCA-QMMMGPOBSA-N 295.430 -0.104 50 20 CBGD COC(=O)c1coc(S(=O)(=O)NNC(=O)N(C)C)c1 753953662 DGOQTJONSNMVES-UHFFFAOYSA-N 291.285 -0.469 50 20 CBGD CN(C)c1ncccc1C(=O)NNC(=O)Cc1cc[nH]n1 755277163 PMXVCWADKKKGJL-UHFFFAOYSA-N 288.311 -0.126 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)C[C@@H]1CCCO1 755288046 CCFQKIVCRXCMNO-VIFPVBQESA-N 252.274 -0.331 50 20 CBGD CC[C@H]1CC[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)O1 756906751 ZUSKVYSCLFZULE-IUCAKERBSA-N 271.317 -0.384 50 20 CBGD CCc1cc(C(=O)NNc2ccc(C(N)=O)nn2)n[nH]1 757402242 LIHFAVQETSLHLG-UHFFFAOYSA-N 275.272 -0.382 50 20 CBGD CC[C@](C)(CC(=O)OC)NCC(=O)NNC(=O)C1CC1 760904384 CMEBSAPDQMMHKE-CYBMUJFWSA-N 285.344 -0.135 50 20 CBGD Cn1cc(/C=C/C(=O)NNC(=O)C(C)(C)O)cn1 768259284 JIJIZXIQSKVNDH-SNAWJCMRSA-N 252.274 -0.648 50 20 CBGD CC(C)NC(=O)Nc1ccc(C(=O)NNC(=O)CO)cc1 777782062 WVSHJKPUCHPJKF-UHFFFAOYSA-N 294.311 -0.030 50 20 CBGD CN(NC(=O)[C@H]1CCCN1c1ncccn1)C(N)=O 778418643 QLGXMKNQNXGNQM-MRVPVSSYSA-N 264.289 -0.513 50 20 CBGD CN1CCN(C(=O)NN=Cc2ccnn2C)CC1 790179432 YGBQARCOVHAIBC-UHFFFAOYSA-N 250.306 -0.289 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)c1ccn(C)n1 794561182 LKZQAOCSAVFJFS-MRVPVSSYSA-N 253.306 -0.198 50 20 CBGD CNC(=O)[C@@]1(C)CCN(CC(=O)NNC(=O)C2CC2)C1 797525384 KIQXEAHOBUKHLU-ZDUSSCGKSA-N 282.344 -0.998 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)N(C)[C@H](C)CC#N 800933227 ZHCUXNAOVWSRNX-MRVPVSSYSA-N 277.350 -0.369 50 20 CBGD COC(=O)C[C@H](C)CC(=O)NNc1nnc(C)c(O)n1 809572706 REEOHNQLJHJMJH-ZCFIWIBFSA-N 283.288 -0.082 50 20 CBGD CN1CC[C@@H](C(=O)NNc2ncncc2F)CC1=O 817079044 FWCLSUJCHAKYQC-SSDOTTSWSA-N 267.264 -0.073 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CCCCN(C)C1=O 823898138 RSFYCMAOUHHSGF-SNVBAGLBSA-N 257.334 -0.410 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cnc2sccn2c1=O 823983240 OAKJHRODJZREBG-ZETCQYMHSA-N 282.325 -0.287 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(=O)NC1CC1 825610757 KKWMDEKTEOJUOW-CBAPKCEASA-N 284.316 -0.980 50 20 CBGD COc1ccccc1C(=O)NNC(=O)C[C@@H]1CC(=O)N1 827005753 JXTOXDFWDAECTQ-QMMMGPOBSA-N 277.280 -0.265 50 20 CBGD CN(CCCC(=O)NNc1nccn(C)c1=O)C(=O)O 828284807 GREQSHPSHBKKRD-UHFFFAOYSA-N 283.288 -0.387 50 20 CBGD Cc1cc(O)cc2c1C(=O)C(=NNC(=O)NCC(=O)O)O2 833746526 BTJCFSDSYWWCIL-UHFFFAOYSA-N 293.235 -0.027 50 20 CBGD Cc1cc(C)nc(NNC(=O)N[C@H]2[C@@H]3CNC[C@@H]32)n1 841999568 GCICZCCXDGPHRS-MYJAWHEDSA-N 262.317 -0.063 50 20 CBGD COC/C(C)=C\C(=O)NNC(=O)C(=O)N1CCCC1 845353734 DUZNFPLBJLYQTE-CLFYSBASSA-N 269.301 -0.651 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cncc(OC)c1 853331249 MHGHDRXZNORHTK-UHFFFAOYSA-N 266.257 -0.104 50 20 CBGD CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1cc[nH]n1 855359172 HYSRNCQMMMLLQW-JTQLQIEISA-N 279.300 -0.428 50 20 CBGD CC(=O)NCC(=O)NCC(=O)NNc1ccc(Cl)cn1 856095922 WCHVMJWQKWUTGN-UHFFFAOYSA-N 299.718 -0.570 50 20 CBGD CN(C)CC(=O)NNC(=O)c1c[nH]c2nccc-2c1 857105276 IDGZJYPEEVOMJL-UHFFFAOYSA-N 261.285 -0.163 50 20 CBGD CCC[C@H](OC)C(=O)NNC(=O)C(=O)Nc1ccccn1 857467465 FCZPWYZYMAKKEJ-VIFPVBQESA-N 294.311 -0.017 50 20 CBGD COC1CC(C(=O)NNC(=O)c2cc(C)[nH]n2)C1 860480507 PKRDKXUWOVMYGH-UHFFFAOYSA-N 252.274 -0.096 50 20 CBGD COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c1cn[nH]c1 862469854 UZFFKKASDVIUSF-VIFPVBQESA-N 297.315 -0.059 50 20 CBGD Cc1cccc(NNC(=O)[C@H]2CCS(=O)(=O)N2)n1 862517651 FBDIRMYQKADTJT-MRVPVSSYSA-N 270.314 -0.475 50 20 CBGD COC(=O)[C@H](C)CN(C)C(=O)c1ccc(B(O)O)cc1 863872413 GUNYUXXSRJNBER-SECBINFHSA-N 279.101 -0.753 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N2C[C@H]3CC=CC[C@H]3C2)N1 868801155 UMUOZRQWKSZKRS-AXFHLTTASA-N 292.339 -0.096 50 20 CBGD COCCN(C)NC(=O)Nc1ccn(CC(=O)OC)n1 878761054 NCFZDVCRPCYWGB-UHFFFAOYSA-N 285.304 -0.329 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)N1 880826281 NUDVATFVQRZXFI-FTYOSLGDSA-N 281.312 -0.773 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H](c1cncn1C)N(C)C 887148191 RWLIQJVCHCKOLF-CYBMUJFWSA-N 291.355 -0.026 50 20 CBGD CC(C)C(=O)NNC(=O)C1CN([C@H]2CCOC2)C1 895510044 GQLQPZIOTQFXRJ-JTQLQIEISA-N 255.318 -0.490 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)C2CCCC2)C1=O 900173957 FGUZWEAKVQHYEY-SECBINFHSA-N 269.301 -0.819 50 20 CBGD CNC(=S)N(C)NC(=O)CNC(=O)N1CCCC1 909993760 QOTHPFIELQCAMH-UHFFFAOYSA-N 273.362 -0.741 50 20 CBGD CC(C)[C@H](C(=O)NN(C)C[C@@H](C)O)N1CCCC1=O 910170104 XZASKSYDPFZTMJ-ZYHUDNBSSA-N 271.361 -0.023 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 920858371 FIFRESBXANJCSU-PHDIDXHHSA-N 296.249 -0.206 50 20 CBGD CCCCS(=O)(=O)CC(=O)NN(C)C(=O)NCC 935289916 DNHMYXUXPUVETA-UHFFFAOYSA-N 279.362 -0.106 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H](C)C[S@](C)=O 1254637856 PVGJLUMGVJMEOF-SKLCBMLGSA-N 265.335 -0.880 50 20 CBGD Cc1nn(C(C)C)cc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1261829845 CSRSBQCDZFNBKO-SNVBAGLBSA-N 293.327 -0.188 50 20 CBGD CNC(=O)C1(C(=O)NNc2nnc(C)c(O)n2)CCC1 1318299605 AKYTXUYBYYONIN-UHFFFAOYSA-N 280.288 -0.755 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCn2cncc2C1 1319401999 BFZNSGDTDNKASV-VIFPVBQESA-N 288.311 -0.062 50 20 CBGD CNC(=O)NNC(=O)c1ccoc1CC(=O)OC 1322791474 OBGJVXPJHBPDGU-UHFFFAOYSA-N 255.230 -0.431 50 20 CBGD CN(C)N(C(=O)CCCC(N)=O)[C@@H]1CCS(=O)(=O)C1 1324348348 JFUAYCXAXDULEB-SECBINFHSA-N 291.373 -0.866 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCc2cncn2C1 1328087426 YLVVJOGXCFNWNH-SECBINFHSA-N 293.327 -0.883 50 20 CBGD O=C1C[C@@H](C(=O)NNC(=O)CC(F)(F)F)CCN1 1328687305 DNFGLDGMCKXSIV-YFKPBYRVSA-N 267.207 -0.388 50 20 CBGD O=C(NNC(=O)[C@H]1CC1(F)F)C(=O)Nc1ccccn1 1329035541 FZOJRMFPYCHSHG-ZCFIWIBFSA-N 284.222 -0.177 50 20 CBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNC(=O)OCC(F)(F)F)O1 1329513233 XOWOUMJWUWXLRW-CRCLSJGQSA-N 299.205 -0.661 50 20 CBGD O=C(NNC(=S)Nc1ccccn1)[C@]1(O)CCOC1 1329868379 ZQHPZRMRRIZXKE-NSHDSACASA-N 282.325 -0.449 50 20 CBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNc1ncc(F)cn1 1329906511 WSRCVSOKZMARDZ-NKWVEPMBSA-N 253.237 -0.430 50 20 CBGD Cc1cc(CC(=O)NNC(=O)C2CCOCC2)n[nH]1 1330580878 DEXNNLPOVAYJQH-UHFFFAOYSA-N 266.301 -0.165 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCc2cn[nH]c2)cn1 1331797985 XRMFBYAABGRYGR-UHFFFAOYSA-N 262.273 -0.463 50 20 CBGD O=C(NNC(=O)C1CCOCC1)c1cn(C2CC2)nn1 1332732534 BTRFEVVXJOHRPG-UHFFFAOYSA-N 279.300 -0.199 50 20 CBGD NC(=O)c1ccc(NC(=O)NNC(=O)CCO)cc1 1342676732 VSKXWUCDPOKVLJ-UHFFFAOYSA-N 266.257 -0.679 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@H]1CN2CCN1C[C@H]2C 1347519008 ZHAQHBJBQAVLBV-NXEZZACHSA-N 269.349 -0.887 50 20 CBGD CCNC(=O)NNC(=O)c1coc(-c2nn[nH]n2)c1 1578238220 JEQKZMNNSLHGIM-UHFFFAOYSA-N 265.233 -0.576 50 20 CBGD Cn1cc(C(=O)NN=Cc2cc(C(=O)O)n(C)c2)nn1 1600931609 ASZFJYVMVYOMBL-UHFFFAOYSA-N 276.256 -0.384 50 20 CBGD CCOC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)c(C)n1 1604381084 VRQFJUMXPWCXMU-UHFFFAOYSA-N 291.271 -0.039 50 20 CBGD Cn1cc(C(=O)NNC(=O)C(C)(C)C(=O)O)cn1 1605481354 UFFWKBNNYKTBCG-UHFFFAOYSA-N 254.246 -0.708 50 20 CBGD O=C(CCO)NNC(=O)Nc1cc(C(=O)O)cs1 1608310760 ARLFJKAQTSSZHW-UHFFFAOYSA-N 273.270 -0.019 50 20 CBGD O=C(N[C@@]1(C(=O)O)CCSC1)c1cccc(B(O)O)c1 1608406299 RNCRXTXFPSJXDS-LBPRGKRZSA-N 295.125 -0.944 50 20 CBGD O=C(NNC(=O)c1cc(C(=O)O)no1)c1cccnc1 1608479042 ILVFFYAIZGYTEH-UHFFFAOYSA-N 276.208 -0.157 50 20 CBGD CON=CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1609332347 JXSKSMYQZIFEIQ-UHFFFAOYSA-N 289.255 -0.740 50 20 CBGD CN1Cc2ccccc2[C@H](NC(=O)NNC(=O)C(=O)O)C1 1610138943 QLOHXICEHWWEJN-SNVBAGLBSA-N 292.295 -0.412 50 20 CBGD N#CC1=CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 1623234186 RAOZAOCETXHYNT-UHFFFAOYSA-N 260.257 -0.941 50 20 CBGD O=C(CCn1cncn1)NNC(=O)c1ccccn1 23391557 ACZUANWKNZXDLD-UHFFFAOYSA-N 260.257 -0.476 50 20 CBGD CC(=O)NNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 45826733 MFXMMIHYXHPPCB-SSDOTTSWSA-N 294.267 -0.120 50 20 CBGD Cc1cnc(C(=O)NNC(=O)c2c[nH]nc2C)cn1 109859647 XJZKAQLILPLWLJ-UHFFFAOYSA-N 260.257 -0.109 50 20 CBGD Cc1cc(C(=O)NNC(=O)N2CCOCC2)cc(O)n1 271933264 MCQVLJJMIMJMKY-UHFFFAOYSA-N 280.284 -0.218 50 20 CBGD CNC(=O)NNS(=O)(=O)c1c(OC)cccc1OC 274749922 NTQOVKYWNWKEAW-UHFFFAOYSA-N 289.313 -0.174 50 20 CBGD CCn1ncc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)n1 293826572 FWITVAYUBYPIJA-CBAPKCEASA-N 267.289 -0.374 50 20 CBGD CN([C@@H]1COC[C@H]1O)S(=O)(=O)CBr 306259594 JMSRIXPTRMSODF-PHDIDXHHSA-N 274.136 -0.640 50 20 CBGD COC(=O)NNC(=O)c1ccc(OCC(N)=O)cc1 490556486 QFEPDCFUBWGMOX-UHFFFAOYSA-N 267.241 -0.449 50 20 CBGD CCS(=O)(=O)CC(=O)NNC(=O)OC(C)(C)C 490753404 GNDMKLRABDQWJW-UHFFFAOYSA-N 266.319 -0.023 50 20 CBGD CC[C@H](C)C(=O)NCC(=O)Nc1cccc(B(O)O)c1 584911424 VOXBACXJTRWHTR-VIFPVBQESA-N 278.117 -0.533 50 20 CBGD CC(C)C[C@@H](CO)NCc1ccc(B(O)O)cc1 585018277 JSVZWMPMSSEGOG-ZDUSSCGKSA-N 251.135 -0.137 50 20 CBGD C#CCNC(=O)c1ccc(N2CC[C@H](B(O)O)C2)nc1 585074404 YHPNCJBJIOESDT-NSHDSACASA-N 273.101 -0.502 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@@H]1CCCN1C(N)=O 726136710 NFNOXRXXSIWMMH-ZETCQYMHSA-N 287.389 -0.177 50 20 CBGD C[C@H]1CN(CCNC(=O)NNC(=O)c2ccc[nH]2)CCO1 726253423 BNBBKFAKTBMWDE-JTQLQIEISA-N 295.343 -0.321 50 20 CBGD CCC(=NNC(=O)C(=O)NC1CC1)c1cnn(C)c1 741812027 KNVKYHZCELXMRT-UHFFFAOYSA-N 263.301 -0.071 50 20 CBGD CCCN(CCO)CC(=O)NNC(=O)C(C)(C)C 744388114 KVOMCRQEIDQUCV-UHFFFAOYSA-N 259.350 -0.116 50 20 CBGD Cn1cncc1C=NNC(=O)CNC(=O)c1cccnc1 755774379 QAAGESQKHGTBKV-UHFFFAOYSA-N 286.295 -0.305 50 20 CBGD O=C(CO)NNC(=O)Nc1ccn(CC(F)F)n1 756868000 PBYPVWIRWAKEFH-UHFFFAOYSA-N 263.204 -0.707 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)Nc1ccon1 757850400 COXQYJIJRJATIK-UHFFFAOYSA-N 250.218 -0.207 50 20 CBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)C1CCC1 761158723 MKPYJOQMYVKJOD-UHFFFAOYSA-N 291.373 -0.347 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(O)CCC1 772039269 NMLHIXQYVAAPCE-ZETCQYMHSA-N 258.274 -0.610 50 20 CBGD COCCNC(=S)NNC(=O)[C@@H]1CCCCO1 772220385 YFQMKIJRQBKYSZ-QMMMGPOBSA-N 261.347 -0.303 50 20 CBGD COC(=O)Cn1cc(C(C)=NNC(=O)N(C)C)nn1 772841792 VUESSSYUWPNLPS-UHFFFAOYSA-N 268.277 -0.554 50 20 CBGD Cn1ncc(C(=O)NNC(=O)c2ccccn2)c1N 777786625 IRJMDYDHBDVOEF-UHFFFAOYSA-N 260.257 -0.528 50 20 CBGD COc1cccc(C2(C(=O)NNC(=O)CO)CC2)c1 807195413 DYMVCZZRNDIRBJ-UHFFFAOYSA-N 264.281 -0.134 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NN=Cc1cn(C)nc1O 814216176 AQZQGFMQZIQYLU-SNVBAGLBSA-N 295.343 -0.456 50 20 CBGD Cn1nncc1NNC(=O)CNC(=O)Cc1ccccc1 816770077 IZANBUPTAAKWQK-UHFFFAOYSA-N 288.311 -0.383 50 20 CBGD Cn1cnn(CCC(=O)NNc2nccnc2Cl)c1=O 816926409 VJDSIZHCYMOGBK-UHFFFAOYSA-N 297.706 -0.441 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@@H]1CCC(=O)N(C)C1=O 823899276 QJRSJVHMHNWIGJ-SSDOTTSWSA-N 270.289 -0.880 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CC1 826446304 GVPSXMSMUFIATG-UHFFFAOYSA-N 287.283 -0.412 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCNC(=O)[C@@H]1C(C)C 827778181 QEWSUNIPMKWGRI-NSHDSACASA-N 284.360 -0.754 50 20 CBGD CCC[C@@]1(C)C(=O)NCCN1CC(=O)NNC(=O)C(C)C 829106666 LEDVDSDBFMOIQE-AWEZNQCLSA-N 298.387 -0.220 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC(=O)N(CC2CC2)C1 829327431 IKBCYIBVRBVCGM-UHFFFAOYSA-N 282.344 -0.699 50 20 CBGD COC(=O)[C@H](NNC(=O)[C@@H]1CCO[C@@H]1C)C1CC1 843289731 XCCHDDVRCNDVJW-SZEHBUNVSA-N 256.302 -0.016 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CC1(O)CCC1 843966771 NAEVIMDQCHLFTH-IUCAKERBSA-N 256.302 -0.136 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cn(C)cn1 843977802 IIIJMVDODVGICX-JGVFFNPUSA-N 252.274 -0.394 50 20 CBGD Cc1ncsc1/C=C/C(=O)NNC(=O)[C@H]1CCC(=O)N1 862462401 WRHOAGLHTVORQM-RYEJSQLPSA-N 294.336 -0.109 50 20 CBGD O=C(NNC(=O)[C@]1(O)CCSC1)c1cn[nH]c1 862470502 GMBUBFROOTVALN-VIFPVBQESA-N 256.287 -0.961 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCOCC(=O)OC 862953373 NIEXNUMFZHJTRB-VQHVLOKHSA-N 256.258 -0.264 50 20 CBGD C[C@@H](NC(=O)c1cccc(B(O)O)c1)C(=O)OC(C)(C)C 863874682 WPUDLHUIBKZQRO-SECBINFHSA-N 293.128 -0.174 50 20 CBGD COC[C@H]1CCCN1NC(=O)c1ccc(B(O)O)cc1 863887795 VPNIJKLWNRQVTQ-GFCCVEGCSA-N 278.117 -0.878 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC2(CCO2)CC1 868935513 ATOWPYAZLZMSFE-UHFFFAOYSA-N 275.113 -0.239 50 20 CBGD COCCOCC(=O)NNC(=O)c1ncc2ccccn12 869901117 NQSUOZJPWDRYKU-UHFFFAOYSA-N 292.295 -0.242 50 20 CBGD COc1ccc(NCC(=O)NNC(=O)C(OC)OC)cc1 895554716 YRMWEOTWARBJRO-UHFFFAOYSA-N 297.311 -0.127 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=S)NC(C)(C)C)C1=O 899995950 KLHXVJKLHVSRLY-ZETCQYMHSA-N 272.374 -0.242 50 20 CBGD O=C(COCC1CCCC1)NNC(=O)CN1CCCC1=O 913733403 IEQLCMHPPPEBMU-UHFFFAOYSA-N 297.355 -0.037 50 20 CBGD NC(=O)Cc1occc1C(=O)NNC(=O)C1CCC1 1117110266 HFENDMLTLGOONC-UHFFFAOYSA-N 265.269 -0.132 50 20 CBGD CC(=O)NNC(=O)c1nnn(-c2ccn(C)n2)c1C 1261233579 YPWHWEXJVSTQPR-UHFFFAOYSA-N 263.261 -0.910 50 20 CBGD Cn1c(C(=O)NNC(=O)N2CCOCC2)cccc1=O 1320213198 VHUYFJOPCYUAMF-UHFFFAOYSA-N 280.284 -0.928 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(O)n(C)n1 1328343289 SOLJIKLKYGGBMC-RQJHMYQMSA-N 268.273 -0.688 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(C#N)CCOCC1 1332471046 UAKQJYYZISVIEY-ZJUUUORDSA-N 281.312 -0.121 50 20 CBGD O=C1CSC[C@@H](C(=O)NNc2ncc(Cl)cn2)N1 1334739964 SJDBHZWUITWYRG-LURJTMIESA-N 287.732 -0.195 50 20 CBGD C[C@H]1C[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)CCO1 1337274150 JDUBKQPOOOQPPA-UWVGGRQHSA-N 283.328 -0.429 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2cccnc21)C(=O)NC1CC1 1347718027 MIAJRCMKWVZSSW-SNVBAGLBSA-N 288.307 -0.463 50 20 CBGD NC1(CNC(=O)NNC(=O)CC(F)(F)F)CC1 1357679323 BCJWTAKLHFNTLB-UHFFFAOYSA-N 254.212 -0.240 50 20 CBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNc1ncccn1 1518874579 NPNYQVYEJCABPE-ZJUUUORDSA-N 262.317 -0.692 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@@H](N)CO)cc1F 1573940788 QDILWOGENOUPOA-VIFPVBQESA-N 271.248 -0.625 50 20 CBGD O=C(/C=C\[C@H]1CCOC1)NNC(=O)NC1CCNCC1 1580493922 NOLSRJVEOZYDSL-SYBPUXJVSA-N 282.344 -0.339 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc(F)c(C(=O)O)c1 1589150642 YXVMUZOQRRNZIL-UHFFFAOYSA-N 283.215 -0.370 50 20 CBGD COC(=O)N(C)NC(=O)Nc1cccc(-c2nn[nH]n2)n1 1591273232 XAXMPLBHMXASKC-UHFFFAOYSA-N 292.259 -0.004 50 20 CBGD C[C@@H]1CC(CCNC(=O)NNC(=O)C(=O)O)C[C@@H](C)O1 1604667195 QMAVJTJVGHSPGC-HTQZYQBOSA-N 287.316 -0.005 50 20 CBGD O=C(NNc1ccncn1)c1c[nH]c(-c2nn[nH]n2)c1 1606862232 ZRVWHABZXFOIJT-UHFFFAOYSA-N 271.244 -0.258 50 20 CBGD Cc1cc(NC(=O)C(=O)NNC(=O)CN(C)C)ccc1F 126485326 ZGGLKFJRYQKJSQ-UHFFFAOYSA-N 296.302 -0.218 50 20 CBGD CCN1CCCC[C@H]1C(=O)NNc1ccc(C(N)=O)nn1 154328117 GNKBJQHBKUWVOJ-JTQLQIEISA-N 292.343 -0.107 50 20 CBGD COC(=O)[C@H](CO)NS(=O)(=O)CCCCCl 162538104 VACDHJQPSUIFQF-ZETCQYMHSA-N 273.738 -0.541 50 20 CBGD CCCN1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 201035482 XJJWHNIPPNEATQ-UHFFFAOYSA-N 276.145 -0.466 50 20 CBGD O=S(=O)(CBr)NC[C@]1(O)CCOC1 227982376 XADFIKSARUXWLA-ZCFIWIBFSA-N 274.136 -0.590 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc(C(N)=O)cc1 276223288 IOTGQQYMXPNTMF-UHFFFAOYSA-N 265.269 -0.683 50 20 CBGD CC[S@@](=O)CC(=O)NNC(=O)c1ccccc1O 278710092 RZICVRKFONCBCU-GOSISDBHSA-N 270.310 -0.078 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CCCCC(=O)N1 281369877 WPRPALUBNNIEMN-MRVPVSSYSA-N 270.358 -0.274 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1OC[C@H]2COCC[C@H]21 584910717 DCFZQSYGAMMCCY-OASPWFOLSA-N 291.112 -0.644 50 20 CBGD C[C@@H]1OCC[C@@]1(C)NC(=O)c1cccc(B(O)O)c1 584972565 AGOGNTKUFMVVMK-TVQRCGJNSA-N 263.102 -0.336 50 20 CBGD OB(O)c1ccc(CNCCCOC[C@@H]2CCOC2)o1 585025293 QJXLTVMSOUEBMF-NSHDSACASA-N 283.133 -0.508 50 20 CBGD O=S(=O)(NCB(O)O)c1cc(F)ccc1Cl 585055761 IQCUBZZGCORCKC-UHFFFAOYSA-N 267.474 -0.231 50 20 CBGD O=C(Cc1ccc2c(c1)OCCO2)NCB(O)O 585056772 WSUVFSMSUMBLOK-UHFFFAOYSA-N 251.047 -0.872 50 20 CBGD CCc1ccc(N2C[C@H](C(=O)NCB(O)O)CC2=O)cc1 585058439 FWOOUNHAABTOKR-LLVKDONJSA-N 290.128 -0.270 50 20 CBGD CCc1nc(-c2ccc(C(=O)NCB(O)O)cc2)n[nH]1 585062669 LLSOKIJBBPQUCQ-UHFFFAOYSA-N 274.089 -0.224 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)c2cccnc2)CC1 727766043 CZHRRIRYXKTQMM-UHFFFAOYSA-N 262.269 -0.631 50 20 CBGD Cc1cnn(CC(=O)NNC(=O)c2c[nH]nc2C)c1 732083965 BKGIRNQMJYOWHZ-UHFFFAOYSA-N 262.273 -0.316 50 20 CBGD O=C(CO)NNC(=O)c1cc2c(nc1O)CCCC2 753437328 ISLVWTPHBGFAAR-UHFFFAOYSA-N 265.269 -0.581 50 20 CBGD COC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)CO)C1 753438749 ITIYLOYJBKKBQV-YUMQZZPRSA-N 258.274 -0.895 50 20 CBGD Cc1cc(C(=O)NNC(=O)CO)c2c(C)nn(C)c2n1 753453014 VXVYFTVTGJKTPP-UHFFFAOYSA-N 277.284 -0.662 50 20 CBGD CNC(=O)NCC(=O)NN=c1cc[nH]cc1Cl 768453425 ZQDGJZNSBOIVBK-UHFFFAOYSA-N 257.681 -0.471 50 20 CBGD CC(C)(C)[C@H](CO)NCC(=O)NNC(=O)C1CC1 769806070 FJBQVAPKTIDTLO-VIFPVBQESA-N 257.334 -0.460 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)CC(F)(F)F 775602689 QFZYEWWSCCESGY-SSDOTTSWSA-N 283.250 -0.193 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](O)C1CCCCC1 783522273 MRXUFGJLWXGKTE-SNVBAGLBSA-N 285.344 -0.400 50 20 CBGD C[C@@H](CS(C)(=O)=O)C(=O)NNc1nc2ccccn2n1 791252078 HFYCGPZFSQDDMH-QMMMGPOBSA-N 297.340 -0.147 50 20 CBGD CC[C@]1(NCC(=O)NNC(=O)C2CC2)CCOC1 792443016 SJZXAIKOQMFTTI-LBPRGKRZSA-N 255.318 -0.298 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)NCC(F)(F)F)C1=O 798313216 COTMWKJMKSOVMC-RXMQYKEDSA-N 282.222 -0.643 50 20 CBGD COC(=O)CNC(=O)NN=C(C)c1cc(C)n(C)n1 799884095 CXAVXLPZSDSZGV-UHFFFAOYSA-N 267.289 -0.075 50 20 CBGD CCCCNC(=O)NNS(=O)(=O)C[C@@H](C)OC 800834003 LRLOTGDAVQAZQO-MRVPVSSYSA-N 267.351 -0.045 50 20 CBGD COC(=O)NNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F 806341303 FFTHRPYFJVGKIE-RXMQYKEDSA-N 283.206 -0.073 50 20 CBGD Cn1nncc1CNC(=O)NNc1nc2ccccn2n1 807615454 RPGTXWUYPJYBSQ-UHFFFAOYSA-N 287.287 -0.316 50 20 CBGD COCCOCCN(C)CC(=O)NNC(=O)C(C)(C)C 808791802 NSXFZJMPYGIPFB-UHFFFAOYSA-N 289.376 -0.225 50 20 CBGD COC[C@@H](C)[C@H](C)C(=O)NNc1ccc(C(N)=O)nn1 812532257 MVQFQKUGMRSTAN-SFYZADRCSA-N 281.316 -0.063 50 20 CBGD NC(=O)[C@@H]1CC[C@H](CNC(=O)NNc2ncncc2F)O1 814312791 NFSAVSJOBMFOSH-SVRRBLITSA-N 298.278 -0.725 50 20 CBGD CCN1CCN(CCNS(=O)(=O)CCl)CC1 820796416 JGSXIVROTKYALK-UHFFFAOYSA-N 269.798 -0.260 50 20 CBGD CC(C)(O)C(=O)NNC(=O)C1(Br)CC1 822317152 OODOCRJCCDMZKL-UHFFFAOYSA-N 265.107 -0.168 50 20 CBGD C[C@@]1(C(=O)NNC(=O)[C@H]2CCCCO2)CCNC1=O 823236883 HVGNMHBDHPZCRX-PRHODGIISA-N 269.301 -0.771 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCN(C(=O)O)CC1 823754255 FNEDLBWGSUZZOU-UHFFFAOYSA-N 286.332 -0.525 50 20 CBGD CCN(CCO)NC(=O)C(=O)Nc1ccccc1 823846613 LSTXDHAMKAUWGR-UHFFFAOYSA-N 251.286 -0.030 50 20 CBGD CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cccnn1 828830527 RBRJTFQRHOHQGU-IONNQARKSA-N 250.258 -0.337 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@](O)(CC#N)C1 829991057 CJWPGWLJJZIPPA-BXUZGUMPSA-N 296.371 -0.081 50 20 CBGD CC(C)(O)C(=O)NNC(=O)Cn1cc(C2CC2)cn1 832749785 NXCJNXQVYIEFJT-UHFFFAOYSA-N 266.301 -0.321 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnns1 843642988 HIPDMGZENRGZMD-RITPCOANSA-N 256.287 -0.276 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1=NN(C)C(=O)CC1 843647255 YCYLSWHOCWHEAP-JGVFFNPUSA-N 282.300 -0.833 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1CCC(=O)C1 843774607 FVCORHVNRVJSFU-QMMMGPOBSA-N 257.290 -0.278 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1c[nH]nc1[N+](=O)[O-] 843972597 VBBSLJSODYPJHU-WDSKDSINSA-N 283.244 -0.496 50 20 CBGD O=C(NNc1ccccc1[N+](=O)[O-])C1(O)CNC1 852801264 YJVWUPJXFLWUAK-UHFFFAOYSA-N 252.230 -0.628 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H](CCC)S(N)(=O)=O 854186465 ZTNLXYFCPNPHDY-SSDOTTSWSA-N 294.402 -0.875 50 20 CBGD C[C@H](C(=O)NNC(=S)NCC1CCC1)S(C)(=O)=O 855092293 YKNMEODWUDLQIL-SSDOTTSWSA-N 293.414 -0.285 50 20 CBGD CC(C)OCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858359568 HQQKGNMCZDONSD-MRVPVSSYSA-N 272.305 -0.980 50 20 CBGD C[C@@H]1OCCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)[C@@H]1C 858696002 JPEBXAIPBQQOQB-VGMNWLOBSA-N 284.316 -0.885 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)C23CCC(CC2)C3)N1 862460778 JUCZMPHOWXERGN-JVVWGOMOSA-N 265.313 -0.007 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@]1(C)COc2ccccc2O1 863864935 CANZYYLICFRZOS-CQSZACIVSA-N 293.323 -0.075 50 20 CBGD CC(=O)NNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 913466272 QXBPBFPGVOBHBT-LLVKDONJSA-N 289.295 -0.726 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1[C@H]2CCC[C@H]21 913731868 ZLVWKPHGHLZBLJ-GDGBQDQQSA-N 265.313 -0.198 50 20 CBGD CCN1CCC[C@@H](NC(=O)c2cccc(B(O)O)c2)C1=O 928863320 HFMXTUVSMMXRRS-GFCCVEGCSA-N 290.128 -0.893 50 20 CBGD COCC(=O)NCCC(=O)NN=c1cc[nH]c(C)c1 1118884839 RPTPCBUOKDOSNZ-UHFFFAOYSA-N 266.301 -0.592 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1noc2c1COCC2 1119047726 MQQGIVUDIFOMGB-SSDOTTSWSA-N 255.274 -0.295 50 20 CBGD C[C@@H]1C[C@@H]1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1317978152 PQLJYFQZGGRSHN-CSMHCCOUSA-N 275.330 -0.840 50 20 CBGD CCOC(=O)NNC(=O)Cc1c(C)[nH]c2ccnn2c1=O 1318343094 ATKOHBGRJMCXNP-UHFFFAOYSA-N 293.283 -0.349 50 20 CBGD CCO[C@H]1C[C@@H](NC(=O)NNC(=O)C(=O)OC)C12CCC2 1318942430 POYUOKVFQYJFTH-BDAKNGLRSA-N 299.327 -0.163 50 20 CBGD O=C(CN1C(=O)CNC1=O)NNc1cccnc1Cl 1319040979 QFDOTSKTRGULBF-UHFFFAOYSA-N 283.675 -0.270 50 20 CBGD CN(C)c1cc(C(=O)NNc2nccn(C)c2=O)ccn1 1319052321 IMCKHSQPUDXDBG-UHFFFAOYSA-N 288.311 -0.002 50 20 CBGD CNC(=O)c1cccc(C(=O)NNC(=O)c2ccc[nH]2)n1 1319338338 XGBXHRXRVQCTCO-UHFFFAOYSA-N 287.279 -0.156 50 20 CBGD C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)C(=O)NC1CC1 1321540221 MIMQMXVWUZFRMN-YUMQZZPRSA-N 281.312 -0.582 50 20 CBGD COCc1nocc1C(=O)NNC(=O)c1cnn(C)c1 1327664502 JACJCAXYLUAPFP-UHFFFAOYSA-N 279.256 -0.371 50 20 CBGD CCOc1cc(C(=O)NNC(=O)c2cnn(C)c2)[nH]n1 1328359217 UQBZCWYUCHHIRJ-UHFFFAOYSA-N 278.272 -0.383 50 20 CBGD O=C(c1cc2c(nc1O)CCC2)N1CC[C@H](B(O)O)C1 1329214306 FNEVSNXEQDPBFT-VIFPVBQESA-N 276.101 -0.035 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1cc(OC)ccc1F 1331337579 INYYJILZCQZCAR-UHFFFAOYSA-N 299.258 -0.162 50 20 CBGD COC(=O)N(C)NC(=O)CN1CCCCS1(=O)=O 1333488160 XIAGRJUOONVBEP-UHFFFAOYSA-N 279.318 -0.859 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1335739463 LHSMLIZZJNQQEW-GARJFASQSA-N 283.328 -0.222 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2c[nH]cc(Cl)c2=O)cn1 1344676764 ODIYNHMSNIHYMR-UHFFFAOYSA-N 295.686 -0.163 50 20 CBGD CN(N)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 1573877202 HXBOJGZNQZQRLM-UHFFFAOYSA-N 269.282 -0.837 50 20 CBGD CC(=O)N[C@H](CC1CCC1)C(=O)NNC(=O)CCCN 1575014326 BWEGWXVHLPNHJO-LLVKDONJSA-N 284.360 -0.432 50 20 CBGD CC1(C)[C@@H](C(=O)NNC(=O)c2cccnn2)C[C@H]1N 1576370808 DFXMAZWQEKXPGF-VXNVDRBHSA-N 263.301 -0.389 50 20 CBGD COCC[C@@H](N)C(=O)NNC(=O)c1ccccn1 1578997493 IZTRZZIVLCJTJC-MRVPVSSYSA-N 252.274 -0.794 50 20 CBGD COCCN(CC(C)C)NC(=O)c1cn(CC(=O)O)nn1 1594000162 DDHPIWBMTGSWBG-UHFFFAOYSA-N 299.331 -0.388 50 20 CBGD O=C(O)C1=CC[C@H](NC(=O)c2ccc(B(O)O)cc2)C1 1608586924 MVWOYLWNIJSNTB-NSHDSACASA-N 275.069 -0.730 50 20 CBGD O=C(O)CNC(=O)NN=Cc1cccc(O)c1O 1608754485 IMBHQPNKSVNWJT-UHFFFAOYSA-N 253.214 -0.185 50 20 CBGD CNC(=O)NNC(=O)Cn1nnc(-c2ccccc2)n1 48950367 ZLXGCNLYBOXQSQ-UHFFFAOYSA-N 275.272 -0.700 50 20 CBGD CNC(=O)NNC(=O)CCc1c(C)nc(SC)[nH]c1=O 48950591 ABUDXVAUSWBZOO-UHFFFAOYSA-N 299.356 -0.307 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@@H](C)Cn1cccn1 66701104 KLUFDIDAKUJYSY-SNVBAGLBSA-N 283.332 -0.114 50 20 CBGD Cc1nc(Cl)cc(NNC(=O)Cn2ncn(C)c2=O)n1 272723657 YDSVPINMMRXFCX-UHFFFAOYSA-N 297.706 -0.523 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)[C@H]1CC[C@H](C(N)=O)O1 276535663 DLHOPVWLPXSTNK-GHMZBOCLSA-N 291.307 -0.211 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)NCC(F)(F)F)C1 374031607 GJOJZMMFHPKRPW-ZETCQYMHSA-N 298.265 -0.400 50 20 CBGD COCC(=O)NNC(=O)CNC(=O)OC(C)(C)C 494452058 IYWWORXMEPOJDL-UHFFFAOYSA-N 261.278 -0.695 50 20 CBGD COC(=O)N(C)N=Cc1cn(C)c(=O)n(C)c1=O 495675446 CAOGPNOYACJPSZ-UHFFFAOYSA-N 254.246 -0.884 50 20 CBGD CN(C)[C@@H](C(=O)Nc1cccc(B(O)O)c1)C1CC1 584913170 QAZUOCHVVDDAAB-GFCCVEGCSA-N 262.118 -0.355 50 20 CBGD CCC[C@H](O)CC(=O)Nc1cccc(B(O)O)c1 584913242 RXLHKBYDELLTJP-NSHDSACASA-N 251.091 -0.144 50 20 CBGD Cn1ncc2c1CCC[C@H]2NC(=O)c1cccc(B(O)O)c1 584930718 BTCBQSSGDXNIMF-CYBMUJFWSA-N 299.139 -0.093 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@H](O)C1 584930730 CATZLGRMXYAZQR-VIFPVBQESA-N 267.065 -0.898 50 20 CBGD CC(C)N1C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC1=O 584939039 QMGUAFGRPNBOMN-GFCCVEGCSA-N 290.128 -0.895 50 20 CBGD Cc1nc(C(C)(C)NC(=O)c2cccc(B(O)O)c2)no1 584939642 WOWPCZLSAHQZOE-UHFFFAOYSA-N 289.100 -0.277 50 20 CBGD COCCC1(CNC(=O)c2cccc(B(O)O)c2)CC1 584966372 YIOBTEXADNCRQR-UHFFFAOYSA-N 277.129 -0.087 50 20 CBGD CO[C@@H]1CC[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 584980424 ZLZGWIATURTHHI-VHSXEESVSA-N 281.092 -0.197 50 20 CBGD CC1(C)[C@@H](O)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584991309 AQFYDUMZVPWESM-NSHDSACASA-N 281.092 -0.509 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCCO[C@H](CF)C1 585001829 FKRRGOORANJCOY-SNVBAGLBSA-N 299.082 -0.294 50 20 CBGD O=C(NC[C@H]1CCN1C1CC1)c1cc(B(O)O)ccc1F 585005173 ADBYJULWRIDSSE-LLVKDONJSA-N 292.119 -0.528 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC[C@@H]1O 585007317 WRPBTMHNXRTJKG-ICCXJUOJSA-N 277.129 -0.354 50 20 CBGD Cc1nnc(CNCc2ccc(B(O)O)cc2F)s1 585035183 PXHVDRLTGAGRIM-UHFFFAOYSA-N 281.121 -0.045 50 20 CBGD OB(O)c1ccc(CN[C@H]2C[C@H](O)C23CCC3)c(F)c1 585047372 OCPYQXHSOVHBHD-STQMWFEESA-N 279.120 -0.101 50 20 CBGD CN1CCN(Cc2cccc(C(=O)NCB(O)O)c2)CC1 585061024 IZWGZAHFUVTCGS-UHFFFAOYSA-N 291.160 -0.824 50 20 CBGD O=C(CNC(=O)c1cccc(Cl)c1)NCB(O)O 585062854 OFLJHKZUJRNRPG-UHFFFAOYSA-N 270.481 -0.802 50 20 CBGD COC(=O)c1ccc(O)c(C=NNC(=O)C(N)=O)c1 726738555 YEDFQOYPGDLOLJ-UHFFFAOYSA-N 265.225 -0.886 50 20 CBGD Cc1ccc(F)c2c1C(=NNC(=O)C(N)=O)C(=O)N2 732710090 DNJSWBGZMRUMKC-UHFFFAOYSA-N 264.216 -0.608 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CCN(C2CC2)C1 734285454 NIVDPUCQOGFMJZ-VIFPVBQESA-N 270.333 -0.410 50 20 CBGD CC(C)(NS(C)(=O)=O)C(=O)NNc1ncccn1 742044317 XYNKAMZWVZJWPK-UHFFFAOYSA-N 273.318 -0.753 50 20 CBGD CCOCC(=O)NNC(=O)NCC1(OC)CCOCC1 747447856 AEAJAVTUASSPBH-UHFFFAOYSA-N 289.332 -0.451 50 20 CBGD CC(C)CC(=O)NCCC(=O)NNc1nccn(C)c1=O 747945299 HAHHMBBPQPVMQB-UHFFFAOYSA-N 295.343 -0.224 50 20 CBGD COC(=O)C[C@H](C)C(=O)NNC(=O)NCC1CC1 758454414 YUVXQWPEGDCPPH-ZETCQYMHSA-N 257.290 -0.074 50 20 CBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cccnc1 764344527 FDLCVVUZJHKGOK-UHFFFAOYSA-N 299.290 -0.332 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(F)cc1Cl 764422194 QTAPHVKERRFTCR-UHFFFAOYSA-N 289.650 -0.443 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1CC(=O)C1 772233409 YLNOTQMXNLHQMC-LURJTMIESA-N 256.258 -0.545 50 20 CBGD C#C[C@H](NC(=O)NNC(=O)COCC)[C@H]1CCCO1 776227281 IWCLJLZGFFLSIX-VHSXEESVSA-N 269.301 -0.466 50 20 CBGD O=C(NNc1ncncc1Cl)[C@@H]1COCCO1 781828865 CDDOQXYTAPWOCU-ZETCQYMHSA-N 258.665 -0.012 50 20 CBGD CC(C)(O)C(=O)NNC(=O)Cc1csc2nccn12 787947506 RJFNRXDENZGVQF-UHFFFAOYSA-N 282.325 -0.143 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C2(S(C)(=O)=O)CC2)o1 792213441 BLKZHIDSNGZOGA-UHFFFAOYSA-N 286.309 -0.074 50 20 CBGD CCC(=O)NNS(=O)(=O)C[C@@H]1CCCOC1 795280492 IXTNTVOXZHFLDL-MRVPVSSYSA-N 250.320 -0.226 50 20 CBGD CON=CC(=O)NNC(=O)c1ccc2c(c1)OCO2 809542908 HZKQYOBSASIYGP-UHFFFAOYSA-N 265.225 -0.192 50 20 CBGD COCCN(C)NC(=O)c1cc([N+](=O)[O-])cnc1O 816562708 WGIAJIRJZOPGAP-UHFFFAOYSA-N 270.245 -0.082 50 20 CBGD C[C@H]1C[C@@H](C)[C@@H](CN)CN1CC(=O)NNC(=O)C1CC1 817880455 VFSIRFWUHSFVIP-SCVCMEIPSA-N 282.388 -0.151 50 20 CBGD CCC[C@H](C(=O)NNC(=O)NCC1CC1)S(N)(=O)=O 823810035 FNIPOHDOCQVGCA-MRVPVSSYSA-N 292.361 -0.816 50 20 CBGD CCN(CCO)NC(=O)Cc1nnn(C(C)(C)C)n1 823893585 OOTHPPACJBTUPL-UHFFFAOYSA-N 270.337 -0.684 50 20 CBGD Cc1cn2ccnc(C(=O)NN(C)[C@@H](C)CO)c2n1 823927735 FFRCQCZMVJTCAA-VIFPVBQESA-N 263.301 -0.005 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H](C)CN1CCOCC1 823938770 ASTLBBRJFOKAHF-MNOVXSKESA-N 259.350 -0.702 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 823977124 OWTBKURFMYDIJM-PRJMDXOYSA-N 297.277 -0.213 50 20 CBGD CCC[C@@H]1C(=O)NCCN1CC(=O)NNC(=O)C(C)C 828569131 KSZUNQIFUAMMDW-SNVBAGLBSA-N 284.360 -0.610 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccn(C)c(=O)c1 843639941 AFFJFHNFQNTVFR-SCZZXKLOSA-N 279.296 -0.429 50 20 CBGD COC(=O)C12CC(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)(C1)C2 843658410 KIFJCPHVVLKFGP-CYGFXYRSSA-N 296.323 -0.098 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1CCN(C)CC1 843974787 DDDWXJOBRVFSKR-MWLCHTKSSA-N 269.345 -0.099 50 20 CBGD CCc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N2)cc1 854216055 SPPXDESMOQJUAJ-SNVBAGLBSA-N 261.281 -0.102 50 20 CBGD CS(=O)(=O)C1(C(=O)NNC(=O)c2cc[nH]n2)CCC1 855355894 BYDDGHBOUBDIID-UHFFFAOYSA-N 286.313 -0.862 50 20 CBGD C[C@H](C(=O)NNC(=O)c1cc[nH]n1)[C@@H](C)S(C)(=O)=O 855355915 CHZPSXBPTUJMGI-NKWVEPMBSA-N 288.329 -0.760 50 20 CBGD Cn1ccc(CCC(=O)NNC(=O)c2cc[nH]n2)n1 855356381 RGCGYZFJSRKZQN-UHFFFAOYSA-N 262.273 -0.463 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1noc2c1COCC2 857867656 IBLMJKXBSZPTBA-HTQZYQBOSA-N 295.295 -0.067 50 20 CBGD C#C[C@@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(C)C 858422064 FCWBDSWKUGLNBM-BDAKNGLRSA-N 266.301 -0.747 50 20 CBGD CC[C@H](C)CONC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858482465 YUOJLPNOMRGNOG-YUMQZZPRSA-N 272.305 -0.427 50 20 CBGD COc1nccnc1NNC(=O)[C@H]1CCOC(=O)N1 862003886 OOACUYBMTVXPOH-ZCFIWIBFSA-N 267.245 -0.573 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2nc(Cl)cs2)N1 862459083 MCFYEZMAYGEKLG-SCSAIBSYSA-N 288.716 -0.164 50 20 CBGD CC[C@@](C)(C=NNC(=O)CS(C)(=O)=O)OC 863183605 IFZNRNRFFICOLA-VIFPVBQESA-N 250.320 -0.052 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1cc(O)ccc1O 863188288 BIEGLPCPLWMJDG-UHFFFAOYSA-N 286.309 -0.017 50 20 CBGD CC(=O)c1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc1 863460243 PQIDXXMIYONAOB-UHFFFAOYSA-N 298.320 -0.305 50 20 CBGD CC(C)(C)OC(=O)CCNC(=O)c1cccc(B(O)O)c1 863874167 QPNQSHZKCXKIOO-UHFFFAOYSA-N 293.128 -0.172 50 20 CBGD O=C(NCCOC(=O)C1CC1)c1cc(B(O)O)ccc1F 863880664 DXXDRSGLPJFTJD-UHFFFAOYSA-N 295.075 -0.812 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@]1(OC)CCSC1 910002723 VAYRGFOTBRIZQW-SECBINFHSA-N 263.388 -0.024 50 20 CBGD COCCS(=O)(=O)CC(=O)NNC(=O)C1CCCC1 915641693 RDVZSWIENPSPDJ-UHFFFAOYSA-N 292.357 -0.615 50 20 CBGD Cc1nocc1S(=O)(=O)N1CC[C@H](B(O)O)C1 1118974604 IBCYVSNIDQQHCI-ZETCQYMHSA-N 260.080 -0.780 50 20 CBGD C[C@H](NC(=O)NNc1ncccn1)c1nnnn1C 1123640818 DSACHGSDYCXWCQ-LURJTMIESA-N 263.265 -0.613 50 20 CBGD Cn1cccc1C(=O)C(=O)NNC(=O)C(C)(C)O 1261219238 WRHYHVXNSRYSDO-UHFFFAOYSA-N 253.258 -0.874 50 20 CBGD CC(C)NC(=S)NNC(=O)c1ccc(C(N)=O)nc1 1318123894 PMDUJLAPFZFMNC-UHFFFAOYSA-N 281.341 -0.302 50 20 CBGD CNC(=O)c1ccc(C(=O)NNC(=O)NC2CC2)cn1 1318476664 LJPLEALDAFXKGN-UHFFFAOYSA-N 277.284 -0.452 50 20 CBGD COC(C)(C)CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1322174877 ONZFHCOJZKMLGS-MRVPVSSYSA-N 292.357 -0.616 50 20 CBGD O=C(NNC(=O)c1nccn2ccnc12)NC1CC1 1330313791 GQIWMVPKNSOLSY-UHFFFAOYSA-N 260.257 -0.164 50 20 CBGD O=C(CN1CSCC1=O)NNC(=O)C1CCOCC1 1331536826 CJIDNVBBVZIOPA-UHFFFAOYSA-N 287.341 -0.907 50 20 CBGD N[C@@H]1CCCC[C@H]1C(=O)NNC(=O)c1cnn[nH]1 1580176446 GLLUGOQJEJEHLS-RNFRBKRXSA-N 252.278 -0.917 50 20 CBGD CC(=NNC(=O)C(=O)O)c1ccc(NS(C)(=O)=O)cc1 1589010799 IVZHXSQGXVPZER-UHFFFAOYSA-N 299.308 -0.017 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccc(-c2nn[nH]n2)cc1 1590001240 UZYITMRTDVJFAU-MRVPVSSYSA-N 276.300 -0.176 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CC[C@H]1C(=O)O 1594643984 KJJHKMRNLZGODR-XSPKLOCKSA-N 270.285 -0.330 50 20 CBGD CC[C@H](C(=O)O)C(=O)NNc1ccc(C(N)=O)nn1 1594755356 HSYJLYXXJZRPJZ-YFKPBYRVSA-N 267.245 -0.871 50 20 CBGD O=C(O)C(=O)NN=Cc1cn(Cc2cccnc2)nn1 1601635862 MUOAZAAYZXLRLX-UHFFFAOYSA-N 274.240 -0.744 50 20 CBGD CCOC(=O)c1cnc(NNC(=O)C(=O)O)nc1C 1603818210 BIOFQGPVDSSXEK-UHFFFAOYSA-N 268.229 -0.511 50 20 CBGD CN1CC[C@H](C(=O)NNc2ncccc2C(=O)O)C1=O 1604203596 XGTFNDXIXMRAHX-MRVPVSSYSA-N 278.268 -0.299 50 20 CBGD C[C@@H](Cc1cccc(O)c1)NC(=O)NNC(=O)C(=O)O 1604235736 HTPYLIPFAYZIFB-ZETCQYMHSA-N 281.268 -0.262 50 20 CBGD COC[C@](C)(NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)O 1606786337 SLRAMPCRUNBIJO-FSIMMPEJSA-N 292.295 -0.067 50 20 CBGD O=C(CCO)NN=Cc1ccc(-c2nn[nH]n2)s1 1609524477 VBIMIXCVNYSWPH-UHFFFAOYSA-N 266.286 -0.239 50 20 CBGD Cc1occc1C(=O)NCC(=O)NNC(=O)NC1CC1 49128535 QHOSDJDRKGXXTE-UHFFFAOYSA-N 280.284 -0.189 50 20 CBGD CCOC(=O)/C(C#N)=C/NCCN1CCN(C)CC1 73116021 IQHKSGNTYZRPGN-VAWYXSNFSA-N 266.345 -0.206 50 20 CBGD CNC(=O)NNC(=O)CCc1ccc(-c2nnn[nH]2)cc1 95315504 CICKNRJKFFCDOQ-UHFFFAOYSA-N 289.299 -0.241 50 20 CBGD O=C(NNC(=O)C(=O)N1CCCC1)NC1CCCC1 133799777 SISOXUBICFCDDW-UHFFFAOYSA-N 268.317 -0.118 50 20 CBGD O=C1C[C@H](NS(=O)(=O)CBr)CN1 232227969 UGJHQEMOKBOPHK-BYPYZUCNSA-N 257.109 -0.853 50 20 CBGD CNC(=O)NNC(=O)[C@H](C)NC(=O)CC(C)(C)C 275096972 DNVVZWFPVYEJSB-ZETCQYMHSA-N 258.322 -0.113 50 20 CBGD CCN1C[C@@H](C(=O)NNC(=O)NCC(F)(F)F)CC1=O 280857725 AWJDQSWHLUGYMQ-LURJTMIESA-N 296.249 -0.253 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H](N)C2CCOCC2)n1 282330814 PXJRAYMZYCZNHE-NSHDSACASA-N 295.343 -0.009 50 20 CBGD C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)C(=O)NC2CC2)O1 282646226 KSWHIRRBNGNOND-BHNWBGBOSA-N 269.301 -0.774 50 20 CBGD C[C@@H](CN)C(=O)NNc1nc2ccccc2c(=O)n1C 285672912 LGDGYUZAHRHQHE-QMMMGPOBSA-N 275.312 -0.029 50 20 CBGD CC[C@@H](C(=O)NNC(=O)[C@@H]1CCCCO1)C(=O)OC 295694475 ZLULLJVXXNZIES-IUCAKERBSA-N 272.301 -0.098 50 20 CBGD COC(=O)NNC(=O)CCCS(=O)(=O)N1CCCC1 495327213 WLPDSFGIRAZHBJ-UHFFFAOYSA-N 293.345 -0.421 50 20 CBGD CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NNC(=O)CO 496680370 ICAPKZCZTJCJTC-NKWVEPMBSA-N 273.289 -0.961 50 20 CBGD CN(CCN1CCCC1=O)C(=O)c1ccc(B(O)O)cc1 584944368 KUNMVABHXBSHBK-UHFFFAOYSA-N 290.128 -0.939 50 20 CBGD O=C(NC[C@@H](O)C1CCCC1)c1ccc(B(O)O)c(F)c1 584959433 GXMATBLKQLEJBI-CYBMUJFWSA-N 295.119 -0.214 50 20 CBGD CCOC1CC(O)(CNC(=O)c2cccc(B(O)O)c2)C1 584981356 DWFRFTFLERNKLC-UHFFFAOYSA-N 293.128 -0.974 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@](O)(C2CC2)C1 584983599 PXPMIBWJSQLEGA-CQSZACIVSA-N 275.113 -0.647 50 20 CBGD C[C@H]1CCC[C@@]1(O)CNC(=O)c1ccc(B(O)O)cc1 584995475 UYPOMHLDJYQMIH-IINYFYTJSA-N 277.129 -0.353 50 20 CBGD OB(O)c1ccc(CNC[C@H](O)c2ccsc2)o1 585028077 HLGVIDHJAMQANE-JTQLQIEISA-N 267.115 -0.156 50 20 CBGD OB(O)c1ccc(CNCCNc2ccccn2)o1 585032391 HETNPOKKYMJMPB-UHFFFAOYSA-N 261.090 -0.444 50 20 CBGD CCO[C@H]1COCC[C@H]1NCc1ccc(B(O)O)cc1F 585035273 QSVJKAYSTHSFRP-KGLIPLIRSA-N 297.135 -0.211 50 20 CBGD CS(=O)(=O)C1(CNCc2cccc(B(O)O)c2)CCC1 585039796 VTHDADRCGKNBIM-UHFFFAOYSA-N 297.185 -0.577 50 20 CBGD Cc1nccnc1CCNCc1ccc(B(O)O)cc1 585043269 KYXPMQALWZKQLN-UHFFFAOYSA-N 271.129 -0.203 50 20 CBGD OB(O)c1ccc(CNCC2(CF)CCOCC2)o1 585043835 SZELYHMVGMMCAE-UHFFFAOYSA-N 271.097 -0.185 50 20 CBGD COc1cc(C)c(S(=O)(=O)NCB(O)O)cc1C 585054680 PTLBSRMPADSSLX-UHFFFAOYSA-N 273.119 -0.398 50 20 CBGD CCNS(=O)(=O)CCNC(=O)NNc1ncccn1 731760684 VLTCJGZMQRLARB-UHFFFAOYSA-N 288.333 -0.958 50 20 CBGD O=C(CN1CC[C@@H]([C@H]2CCOC2)C1)NNC(=O)C1CC1 750263271 TVQPBQYVIMBHMI-NEPJUHHUSA-N 281.356 -0.098 50 20 CBGD CCOC(=O)CC(=O)NNC(=O)N1CCOCC1 751385911 AIHWCZMYJTZSFC-UHFFFAOYSA-N 259.262 -0.987 50 20 CBGD CN(C)C(=O)Nc1cccc(C(=O)NNC(=O)CO)c1 753443017 RGHSJNXEHHLULG-UHFFFAOYSA-N 280.284 -0.467 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCOC1 772047608 LCWHVNJUKRBNNO-SFYZADRCSA-N 258.274 -0.488 50 20 CBGD Cc1cc(=NC(=O)NNC(=O)CN(C)C)c(C)c[nH]1 775697833 QBSGHRJAVSALQY-UHFFFAOYSA-N 265.317 -0.165 50 20 CBGD CCOCC(=O)NNC(=O)NCc1ccnc(N(C)C)n1 776070276 UZSOUGXGMXHUPO-UHFFFAOYSA-N 296.331 -0.591 50 20 CBGD CN(NC(=O)c1ncn(-c2ccccc2)n1)C(N)=O 778067734 RRYGOWIWJSJKFP-UHFFFAOYSA-N 260.257 -0.077 50 20 CBGD COC(=O)CNC(=O)NN=C1C(=O)Nc2cc(O)ccc21 779820728 IRNOBPCMKCTTLV-UHFFFAOYSA-N 292.251 -0.479 50 20 CBGD C[C@H](OC(=O)/C(C#N)=C\C1CC1)C(=O)NC(N)=O 786678925 IOYOLDFGCAYQSQ-OJYYCGRUSA-N 251.242 -0.027 50 20 CBGD CC(C)(O)C(=O)NNC(=O)C1CCN(C2CC2)CC1 787569754 LMTUTUYGNNQWKE-UHFFFAOYSA-N 269.345 -0.221 50 20 CBGD CON=CC(=O)NNC(=O)c1cccc(OC)c1O 809621688 NRTVVIWPVMZWFY-UHFFFAOYSA-N 267.241 -0.206 50 20 CBGD CC(C)(O)C(=O)NNC(=O)COCc1cccnc1 813529606 DOPXXAMLAJEADV-UHFFFAOYSA-N 267.285 -0.484 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)C(C)(C)O)c[nH]1 816359822 HRIYSQFRQRWZPO-UHFFFAOYSA-N 269.257 -0.667 50 20 CBGD O=C(CNC(=O)c1cccs1)NNc1nc[nH]n1 816633379 AFBGHJAUHQYLEP-UHFFFAOYSA-N 266.286 -0.261 50 20 CBGD COCCCNC(=O)NNC(=O)C[C@@H]1CCC(=O)N1C 823809765 BKJYNCXHUKLSLL-VIFPVBQESA-N 286.332 -0.636 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCN(C)C 825534192 JAPCLMLYSDBESL-ZJUUUORDSA-N 272.349 -0.307 50 20 CBGD COC(=O)C(C)(C)n1cc(NC(=O)NNC(C)=O)cn1 825596857 DMCUQFPAQFVMKE-UHFFFAOYSA-N 283.288 -0.036 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 840361663 ZDLRIPZRTQDUST-HTQZYQBOSA-N 286.288 -0.896 50 20 CBGD Cc1cnn(C)c1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843663150 XBBHSVMXFDWOPL-DTWKUNHWSA-N 266.301 -0.085 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnn2ncccc12 843970061 BFDCROQGKGOHFH-IUCAKERBSA-N 289.295 -0.085 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H](C)N1CCN(C)CC1 843977672 GZFYIVNKINDVQA-GRYCIOLGSA-N 298.387 -0.805 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)OCCOCCO)cn1 849791062 DZKIECRQWQDLRQ-IZZDOVSWSA-N 265.269 -0.121 50 20 CBGD CO[C@@H](C=NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1 853285229 RRDPKFNBJCSHOO-ZJUUUORDSA-N 274.342 -0.052 50 20 CBGD CN(C)CC(=O)NN=Cc1nnn(C(C)(C)C)n1 853301526 GWNZSVBMCAHBQF-UHFFFAOYSA-N 253.310 -0.560 50 20 CBGD C=C[C@@H](O)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 854606216 ADWIPISDISTVOL-SNVBAGLBSA-N 299.352 -0.073 50 20 CBGD Cn1nc(C(=O)NNC(=O)CC(F)(F)F)cc1O 854997312 DQSPIYXWXBHHIA-UHFFFAOYSA-N 266.179 -0.161 50 20 CBGD O=C1CC[C@H](C(=O)NNc2ncc(Cl)cn2)N1 857729027 IDXSMMBIMQUDPT-ZCFIWIBFSA-N 255.665 -0.148 50 20 CBGD CC(Cn1cccn1)=NNC(=O)CS(C)(=O)=O 863185728 AGRIWFGYXVZRPM-UHFFFAOYSA-N 258.303 -0.580 50 20 CBGD CCOC(=O)C1(CNC(=O)c2ccc(B(O)O)cc2)CC1 863879601 WLPVXVHOTAMGON-UHFFFAOYSA-N 291.112 -0.561 50 20 CBGD COCCn1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cn1 869069045 XWXPPJXCHLKGBU-ONGXEEELSA-N 296.327 -0.285 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H](C)Oc1ccccn1 869904960 GIMMLGSYSARZSR-SNVBAGLBSA-N 297.311 -0.341 50 20 CBGD CC(=O)NCCCNC(=O)NN=c1cc[nH]c(C)c1 875086599 XIMDSCZIUSPYOU-UHFFFAOYSA-N 265.317 -0.036 50 20 CBGD O=S(=O)(CCCCl)N1CCN2CCOC[C@@H]2C1 882062677 DQFGRZNFYZSKOG-JTQLQIEISA-N 282.793 -0.039 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1CCCNC1=O 887150642 RKANPKNGPGXGHV-VIFPVBQESA-N 251.286 -0.537 50 20 CBGD Cn1ncc(C(=O)NNC(=S)NC(C)(C)C)n1 899997467 UKOJNBXZKKBWQS-UHFFFAOYSA-N 256.335 -0.278 50 20 CBGD C[C@@H]1CCCCN1NC(=O)c1cccc(B(O)O)c1 912160098 RFFGKKKISXTVNH-SNVBAGLBSA-N 262.118 -0.114 50 20 CBGD Cn1cc(C=NNC(=O)C2CCCC2)c(=O)n(C)c1=O 914835612 OHCGAIPNMVDUSB-UHFFFAOYSA-N 278.312 -0.276 50 20 CBGD O=C(COCC(F)(F)F)NNC(=O)CN1CCCC1=O 920433627 XAOBYEBNWRQJIW-UHFFFAOYSA-N 297.233 -0.665 50 20 CBGD Cc1c(C(=O)NNC(=O)CO)cnn1C1CCOCC1 1116554296 NMYCVIGTWKJYLX-UHFFFAOYSA-N 282.300 -0.704 50 20 CBGD O=C([C@@H]1CCc2cncn2C1)N1CC[C@@H](B(O)O)C1 1119540711 PTWZXGWOJVEAGI-NXEZZACHSA-N 263.106 -0.479 50 20 CBGD COc1ccnc(NNC(=O)CN2CCC(CO)CC2)n1 1120568458 YLDZSKBGISIAFS-UHFFFAOYSA-N 295.343 -0.367 50 20 CBGD CN(C)N(C(=O)c1cnsn1)[C@H]1CCS(=O)(=O)C1 1321871874 VOKHZTSJOIKZLJ-ZETCQYMHSA-N 290.370 -0.356 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)[C@@]3(F)CCOC3)nc21 1323636854 OXWORZMHJYIHSR-LLVKDONJSA-N 296.262 -0.359 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCC(F)(F)F)CN1 1325107064 HCBZIZWUWKZKBD-RXMQYKEDSA-N 282.222 -0.595 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCc1cnccn1 1326013277 LYHKNFBZTCLUEA-ONGXEEELSA-N 293.327 -0.226 50 20 CBGD O=C(Cc1ccoc1)NNC(=O)[C@@H]1CCC(=O)N1 1329077455 DJBZJJFSJVQMDK-QMMMGPOBSA-N 251.242 -0.752 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)C2(C(=O)C3CC3)CC2)N1 1329172694 NCBHTBVXXYCBBE-QMMMGPOBSA-N 279.296 -0.828 50 20 CBGD Cc1nonc1CC(=O)NNC(=O)c1cnn(C)c1 1329637181 UTIJEFOQXYCXQW-UHFFFAOYSA-N 264.245 -0.885 50 20 CBGD O=C(NC[C@@H]1COCCO1)NNC(=O)C1CCOCC1 1331290394 PSXQDDSDMXVCKZ-SNVBAGLBSA-N 287.316 -0.841 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1c[nH]c(C(N)=O)c1 1332483382 FLLDGYRALSCQEI-XPUUQOCRSA-N 280.284 -0.700 50 20 CBGD COC[C@H](C)NC(=O)NNC(=O)c1cnn(C)c1 1336947613 LPRITFFFCZIOML-ZETCQYMHSA-N 255.278 -0.601 50 20 CBGD C[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)[C@H]1CCC(=O)N1 1351381896 PJLGGAQTAFMYPP-VXNVDRBHSA-N 279.300 -0.986 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CC(F)(F)F 1351692494 GYQAYEUXPUCEGS-UHFFFAOYSA-N 262.209 -0.869 50 20 CBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNc1ncccn1 1518874574 NPNYQVYEJCABPE-VHSXEESVSA-N 262.317 -0.692 50 20 CBGD C[C@@](C#N)(CC(=O)O)C(=O)NNC(=O)c1cnsn1 1602781605 DWJNZVSXBZMZAA-VIFPVBQESA-N 283.269 -0.696 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCNC(=O)[C@H]1CC(=O)O 1605618083 FGEQDQZDOXUCHC-FCZSHJHJSA-N 281.268 -0.768 50 20 CBGD O=C(O)CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 1608664263 MQZGWUNZFWSAPQ-VIFPVBQESA-N 280.236 -0.552 50 20 CBGD NC(=O)C(=O)NN=Cc1c(C(=O)O)ccc2c1OCO2 1776016116 WSGLKWRSYLRYES-UHFFFAOYSA-N 279.208 -0.951 50 20 CBGD Cn1nc(C(=O)O)cc1C=NNC(=O)C[n+]1ccccc1 1776058111 GQJRAVCYUGXRKX-UHFFFAOYSA-O 288.287 -0.444 50 20 CBGD N#CCC(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841349736 LCIGCDCFABWTAI-VIFPVBQESA-N 285.731 -0.297 50 20 CBGD O=C(NNC(=O)c1ccc[nH]c1=O)c1cccnc1 21876890 BYXJUQIKUFRIGJ-UHFFFAOYSA-N 258.237 -0.155 50 20 CBGD O=C(NNC(=O)c1cnn2cccnc12)NC1CC1 49150704 DQZDBHZYEHYVFJ-UHFFFAOYSA-N 260.257 -0.164 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 170796393 VKCNUOHLNDJANT-SNVBAGLBSA-N 296.371 -0.514 50 20 CBGD CCc1noc(CC)c1CC(=O)NNC(=O)CO 182741202 RFXPQIKLADRBMV-UHFFFAOYSA-N 255.274 -0.518 50 20 CBGD CC(C)(C)[C@@H](NC(N)=O)C(=O)NNC(=O)c1cccnc1 282798391 WYFDNRVRDNNDBP-VIFPVBQESA-N 293.327 -0.074 50 20 CBGD CCN1C[C@@H](C(=O)NNc2ncncc2F)CC1=O 293961628 JQTIGNUVWYSXIH-ZETCQYMHSA-N 267.264 -0.073 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)COc1ccc(F)cc1 298321752 WEURVQXLLRNAEL-UHFFFAOYSA-N 297.286 -0.170 50 20 CBGD O=C1CC[C@H](CC(=O)Nc2cccc(B(O)O)c2)CN1 584912972 YKNBQCPNXMYRDV-SECBINFHSA-N 276.101 -0.779 50 20 CBGD CC(C)[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)N(C)C 584929464 MPGJQWPSIZYHID-LBPRGKRZSA-N 292.144 -0.791 50 20 CBGD CC(C)[C@@H](O)CCNC(=O)c1cccc(B(O)O)c1 584952029 RDZCFTNKHWOBLM-LBPRGKRZSA-N 265.118 -0.497 50 20 CBGD CO[C@@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 584970381 XYVHMLIUSNLIKF-SNVBAGLBSA-N 281.092 -0.244 50 20 CBGD C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C[C@@H]1O 584970544 PTZOZGBYOCCSOV-SKDRFNHKSA-N 263.102 -0.791 50 20 CBGD C[C@H]1[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)CCCN1C 584973066 KSGCKWLCLSKKRU-TVQRCGJNSA-N 294.135 -0.282 50 20 CBGD CN1CCC[C@H]1CNCc1ccc(B(O)O)cc1F 585019468 NGMCETGHVYUGID-LBPRGKRZSA-N 266.125 -0.311 50 20 CBGD C[C@@H](NCc1cccc(B(O)O)c1)C(=O)NC1CCCC1 585021376 JOLZTAYIBYKVQW-LLVKDONJSA-N 290.172 -0.097 50 20 CBGD CSC[C@](C)(O)CNCc1ccc(B(O)O)o1 585025247 PJTVWKBPRZCXKZ-SNVBAGLBSA-N 259.136 -0.837 50 20 CBGD O=C1[C@@H](NCc2ccccc2B(O)O)CCN1C1CC1 585038539 HMAFPQBEVGYCIH-ZDUSSCGKSA-N 274.129 -0.781 50 20 CBGD CCCN1C[C@H](CNCc2ccc(B(O)O)o2)CC1=O 585047500 DPRNQPDRXCRCIB-JTQLQIEISA-N 280.133 -0.693 50 20 CBGD CC(C)CC[C@H](CO)NCc1ccc(B(O)O)o1 585048707 CLLKLSQWMVNKKK-SNVBAGLBSA-N 255.123 -0.154 50 20 CBGD CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCB(O)O)C1 585060553 SISDBPBGOQIHKJ-SNVBAGLBSA-N 285.153 -0.808 50 20 CBGD O=C(NCB(O)O)[C@@H]1CCCC[C@@H]1n1cccn1 585062341 GWVMPKPEJLLGNW-ZJUUUORDSA-N 251.095 -0.257 50 20 CBGD O=C(CCC1CCCC1)NCC(=O)NCB(O)O 585062997 YJVAGDUDPDSUBY-UHFFFAOYSA-N 256.111 -0.799 50 20 CBGD CCCN1CCC[C@@H]1C(=O)N1CC[C@H](B(O)O)C1 585069290 KTPVIZMGRWLFAJ-WDEREUQCSA-N 254.139 -0.064 50 20 CBGD NC(=O)NN=C1CCN(CCN2CCOCC2)CC1 731559556 HLEMLWCKBQQGLQ-UHFFFAOYSA-N 269.349 -0.561 50 20 CBGD Cn1nccc1S(=O)(=O)NNC(=O)C1CCC1 732048255 WMHBKDKPICHHSR-UHFFFAOYSA-N 258.303 -0.470 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(O)nc1 732086389 AZTTWKFUWWDXGI-UHFFFAOYSA-N 261.241 -0.106 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1ccc(C(=O)O)o1 737123924 MPJAEPAMWMPPGV-UHFFFAOYSA-N 277.258 -0.510 50 20 CBGD C[C@@H]1OCCC1=NNC(=O)Cc1cc(O)nc(O)n1 747765163 WGCJEHYQKRLQJM-LURJTMIESA-N 266.257 -0.289 50 20 CBGD COc1ccc(OCC(=O)NNC(=O)CO)cc1 753440062 PZISGSMBIKDMSZ-UHFFFAOYSA-N 254.242 -0.786 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)Sc1ncnn1C 758426524 PWRKOEHZVUIOIS-ZCFIWIBFSA-N 257.319 -0.147 50 20 CBGD C[C@@H]1C[C@@H](O)CN1CC(=O)NNC(=O)C(C)(C)C 761113075 MPJZMURTWAGTBK-RKDXNWHRSA-N 257.334 -0.365 50 20 CBGD Cn1ccnc1[C@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 767114965 GCQPKGGEBAPWHH-NSHDSACASA-N 291.355 -0.233 50 20 CBGD O=C(NNS(=O)(=O)c1cn[nH]c1)[C@@H]1CCCCO1 772468954 DPMCTOJKQTVCNY-QMMMGPOBSA-N 274.302 -0.712 50 20 CBGD C[C@H]1CCCN(C(=O)C(=O)NNc2nccn(C)c2=O)C1 802554189 QFHYLNMCTGPBCJ-VIFPVBQESA-N 293.327 -0.518 50 20 CBGD Cn1nncc1NNC(=O)CNC(=O)c1cccc(F)c1 816770653 GNVMNEGQTHOKGE-UHFFFAOYSA-N 292.274 -0.173 50 20 CBGD CCO/C=C(/C#N)C(=O)NNC(=O)N1CCN(C)CC1 819720919 IJQARYFDEKIACM-KTKRTIGZSA-N 281.316 -0.581 50 20 CBGD COCC(=O)NNC(=O)Nc1ccc(-c2nn[nH]n2)cc1 821680254 DSQWPJRGMLIPFZ-UHFFFAOYSA-N 291.271 -0.334 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CNC(=O)OCC(F)(F)F 823959316 FXXBELHKOCZLBB-LURJTMIESA-N 287.238 -0.381 50 20 CBGD CS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CC(=O)N1 830425965 IYWBCOVLICVCDR-QMMMGPOBSA-N 283.309 -0.578 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](C)C[C@@H](C)N 831211204 FDQTVQGGUHLGLZ-KXUCPTDWSA-N 290.364 -0.506 50 20 CBGD N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NNC(=O)O 833068522 ZWPSTVVWBXALNG-UHFFFAOYSA-N 286.225 -0.073 50 20 CBGD COCC1(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1 843659689 IOWJMXHMXSAXLL-IUCAKERBSA-N 256.302 -0.015 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCc2ncncc2C1 843866042 WFDWESAYUWMZSJ-MRVPVSSYSA-N 278.312 -0.500 50 20 CBGD O=C(NNc1ccncn1)[C@H]1CCc2nnnn2CC1 846235875 KAEGULGHQLVZCX-QMMMGPOBSA-N 274.288 -0.441 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2CCCS2(=O)=O)n1 847331974 LKDDEBHZKATCOO-ZETCQYMHSA-N 286.313 -0.495 50 20 CBGD CC(C)[C@H](CNC(=O)NNC(=O)c1cnn(C)c1)C(=O)O 848591701 USKGOFIDPSSEQR-VIFPVBQESA-N 297.315 -0.279 50 20 CBGD CSC(C)(C)C(=O)NNC(=O)C(=O)NC(C)C 854291348 WWYNSIMLZKIRNI-UHFFFAOYSA-N 261.347 -0.200 50 20 CBGD O=C1NCC[C@@H]1C(=O)NNC(=S)NCC1CCC1 855092592 KPXDCXHCDVCJAF-QMMMGPOBSA-N 270.358 -0.582 50 20 CBGD CCc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)n[nH]1 862452334 VRRMCNCRPRZDRG-SSDOTTSWSA-N 265.273 -0.988 50 20 CBGD COC(=O)N1CCC(C(=O)NNC(=O)c2cn[nH]c2)CC1 862466000 BBNQQSMRIOREAH-UHFFFAOYSA-N 295.299 -0.351 50 20 CBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1cn(C)c(C)n1 863153434 UPCPPBZVJOPTJA-SECBINFHSA-N 263.301 -0.153 50 20 CBGD CN(C)c1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 863935252 NCBPUWZUBHCPLD-LLVKDONJSA-N 290.323 -0.208 50 20 CBGD NC(=O)[C@@H]1CN(S(=O)(=O)CCCCl)CCO1 881844486 NSIZIHNNDRQXNS-ZETCQYMHSA-N 270.738 -0.869 50 20 CBGD O=C(NNC(=O)C1CCOCC1)N[C@H]1CCN(C2CC2)C1 883415869 HEEBNFWSJDFSHF-NSHDSACASA-N 296.371 -0.020 50 20 CBGD C[C@@]1(C(=O)NCCn2ncnn2)C[C@H]1Br 906993207 AVUYPLKPGKEBCD-HTRCEHHLSA-N 274.122 -0.037 50 20 CBGD COCC1(C(=O)NN(C)C[C@H](C)O)CCOCC1 910148911 YXNWSYRUMUEQBA-JTQLQIEISA-N 260.334 -0.227 50 20 CBGD COCCn1cc(C(=O)NN(C)C[C@@H](C)O)c(C)n1 910152892 WKVDYWZIXDNVNR-SECBINFHSA-N 270.333 -0.205 50 20 CBGD C=CCCO[C@@H](C)C(=O)NNC(=O)CN1CCCC1=O 913730706 FVQHEEHYWQJWAW-JTQLQIEISA-N 283.328 -0.263 50 20 CBGD CC(=O)NNC(=S)NCCCN1CCOCC1 916116086 BUXXVQJKMPNRDR-UHFFFAOYSA-N 260.363 -0.776 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@@H]1CO 934017596 PMEDMRVOVPOBBK-VHSXEESVSA-N 257.334 -0.365 50 20 CBGD O=C(NNC(=O)c1cnc2ccccc2n1)C(=O)NC1CC1 1248468059 VJFQBGGWRFOBST-UHFFFAOYSA-N 299.290 -0.331 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)CN(C)C(C)C 1261211728 FNRCLVIEQNRUOI-QMMMGPOBSA-N 274.321 -0.782 50 20 CBGD O=C(NCC1CC1)NNC(=O)c1cn(C2CC2)nn1 1261792859 OOQAGMNSZOMHAK-UHFFFAOYSA-N 264.289 -0.033 50 20 CBGD CO[C@H](C=NNC(=O)[C@H]1CCC(=O)N1)C1CCOCC1 1261833081 LMURFNRUKBZARU-GHMZBOCLSA-N 283.328 -0.191 50 20 CBGD C[C@@H](NC(=O)c1ccoc1)C(=O)N1CC[C@@H](B(O)O)C1 1261844703 YAKJUHYUTZRXHN-PSASIEDQSA-N 280.089 -0.527 50 20 CBGD O=C(CCO)NNC(=O)C(=O)N1CCc2c(F)cccc21 1323943246 BHWYAOKKTQGORT-UHFFFAOYSA-N 295.270 -0.755 50 20 CBGD O=C(CSc1nncs1)NNC(=O)Cc1cc[nH]n1 1325322110 ZRNUVPYRDLGXIL-UHFFFAOYSA-N 298.353 -0.257 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NN=Cc1c(C(=O)O)cnn1C 1327662390 MGWRKOJSLRLPPB-SFYZADRCSA-N 280.284 -0.007 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 1331263516 YSYQCGCDXZOFMY-YUMQZZPRSA-N 272.374 -0.195 50 20 CBGD C#CC(=O)NNC(=O)CNC(=O)c1cccs1 1351927154 RMJSJOILEGIHHG-UHFFFAOYSA-N 251.267 -0.742 50 20 CBGD CC[C@H](CNC(=O)NNC(=O)[C@@H]1CCCCO1)C(=O)O 1589538794 NOKNKMPKWCMBLU-BDAKNGLRSA-N 287.316 -0.003 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)CC(=O)O 1594712526 QKIOLBGUTNNJTO-RNFRBKRXSA-N 274.273 -0.414 50 20 CBGD O=C(O)CC1(C(=O)NNC(=O)c2cc[nH]n2)CCC1 1594976355 NWTAFMCMHXUIIO-UHFFFAOYSA-N 266.257 -0.184 50 20 CBGD Cn1cc(C=NNC(=O)[C@@H]2COCCO2)cc1C(=O)O 1600947117 ZNEFACNJHQPZOC-JTQLQIEISA-N 281.268 -0.411 50 20 CBGD O=C1CC[C@@H](C(=O)NN=C2CC[C@H](C(=O)O)C2)N1 1602639230 ZDNRDLXUGCIMJK-XPUUQOCRSA-N 253.258 -0.378 50 20 CBGD C[C@H](CO)N(C)NC(=O)COCc1ocnc1C(=O)O 1604204075 WPCMGSCMXQDLPB-SSDOTTSWSA-N 287.272 -0.767 50 20 CBGD CCCS(=O)(=O)CC(=O)NNc1ncccn1 48924555 KWGGFPSEVVFUJD-UHFFFAOYSA-N 258.303 -0.256 50 20 CBGD CNC(=O)NNC(=O)CCn1c(C)csc1=O 48949547 ZENNFETVIIFKNF-UHFFFAOYSA-N 258.303 -0.431 50 20 CBGD COCCOCC(=O)NNC(=O)c1cccn1C 97001820 HXBWMMHXGGNQQZ-UHFFFAOYSA-N 255.274 -0.551 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CCN(C(=O)CC)C1 133064398 UHENINWEBCXRLZ-SECBINFHSA-N 284.385 -0.074 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1COc2ccccc2C1 172160757 ZWXNEOXSYZSXPV-LLVKDONJSA-N 277.324 -0.053 50 20 CBGD CC(C)c1nnnn1CC(=O)NNC(=O)c1cccn1C 174017476 IHEJBELLWHRGSD-UHFFFAOYSA-N 291.315 -0.404 50 20 CBGD Cn1cc(C(=O)NNC(=O)CC(C)(C)C)c(O)nc1=O 264016313 HTAQKBGYPLGTGC-UHFFFAOYSA-N 282.300 -0.317 50 20 CBGD CN(C)CC(=O)NNC(=O)Cc1ccc2c(c1)OCO2 265033054 GMIDUCAOTUSUKY-UHFFFAOYSA-N 279.296 -0.333 50 20 CBGD COc1ccc(C(=O)NNC(=O)C(C)(C)O)cn1 278072392 ZQHYJODWJZGQMM-UHFFFAOYSA-N 253.258 -0.378 50 20 CBGD Cc1cccc(C(=O)NNC(=O)N[C@@H]2CC(=O)N(C)C2)n1 280762669 DQBZQRMHKHUATI-SECBINFHSA-N 291.311 -0.435 50 20 CBGD COC(=O)N(C)NS(=O)(=O)c1c(C)nn(C)c1C 288995174 SRUSAFHHWBJQAB-UHFFFAOYSA-N 276.318 -0.072 50 20 CBGD CC(=O)NCC(=O)NNC(=O)[C@H](C)Oc1ccccc1F 298609976 REQGNDCDPAQVDE-QMMMGPOBSA-N 297.286 -0.124 50 20 CBGD COCC[C@H](CO)NS(=O)(=O)CCCCl 300867491 MUWMZAONRKZAPY-MRVPVSSYSA-N 259.755 -0.068 50 20 CBGD CCOC(=O)NNC(=O)[C@@H]1CN2CCCN1CC2 367149631 WULJENHLNXQQFI-VIFPVBQESA-N 256.306 -0.846 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 368342013 UBHQUGGAFMSXJU-JTQLQIEISA-N 298.343 -0.946 50 20 CBGD CCOC(=O)NN=C(C)c1cn(CC(=O)OC)nn1 493880039 IDRDDDCQFFRLJR-UHFFFAOYSA-N 269.261 -0.079 50 20 CBGD CO[C@H](C)CCNC(=O)c1ccc(B(O)O)cc1 584940729 ZTYZVXOWWQSMCP-SECBINFHSA-N 251.091 -0.479 50 20 CBGD C[C@H](CC#N)N(C)C(=O)c1ccc(B(O)O)c(F)c1 584943410 SLCSOXMNAJYPEE-MRVPVSSYSA-N 264.065 -0.120 50 20 CBGD CC(C)(C)C[C@@H](O)CNC(=O)c1cccc(B(O)O)c1 584949373 RHJUIEHPCYCHRA-GFCCVEGCSA-N 279.145 -0.107 50 20 CBGD CC[C@H](C)[C@H](CO)NC(=O)c1cccc(B(O)O)c1 584970162 VMCWPQFZZRFAAX-CABZTGNLSA-N 265.118 -0.497 50 20 CBGD CC(C)(O)C(C)(C)NC(=O)c1ccc(B(O)O)c(F)c1 584970526 ZWPTXMNOVYMERZ-UHFFFAOYSA-N 283.108 -0.215 50 20 CBGD CCO[C@H]1COCC[C@H]1NC(=O)c1ccc(B(O)O)cc1 584976880 UWIBFTCMHJKOBB-OLZOCXBDSA-N 293.128 -0.710 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N(CCO)C1CCC1 584979051 JJRNUXXCAXRJIT-UHFFFAOYSA-N 281.092 -0.508 50 20 CBGD C=CCN(C(=O)c1cccc(B(O)O)c1)[C@@H]1CCOC1 584980769 KFEILBMNLZSTAD-CYBMUJFWSA-N 275.113 -0.217 50 20 CBGD O=C(NC1(CO)CCSCC1)c1cccc(B(O)O)c1 584999550 WLLQLGGJTMUPDL-UHFFFAOYSA-N 295.169 -0.646 50 20 CBGD CC[C@H](C)C[C@H](CO)NC(=O)c1ccc(B(O)O)cc1 585003888 TZUUMKVXRNQUSP-GXFFZTMASA-N 279.145 -0.107 50 20 CBGD OB(O)c1ccccc1CN[C@@H]1CCO[C@@]2(CCOC2)C1 585035772 XYECCRXLHPYGHC-HIFRSBDPSA-N 291.156 -0.206 50 20 CBGD OB(O)c1cccc(CNCCOC(F)(F)F)c1 585037756 IZHIUKKWIMKVDA-UHFFFAOYSA-N 263.024 -0.008 50 20 CBGD O=C1[C@H](NCc2cccc(B(O)O)c2)CCN1C1CC1 585039877 ZHOOSLCTXFXWIF-CYBMUJFWSA-N 274.129 -0.781 50 20 CBGD COCC(COC)NCc1ccc(B(O)O)cc1 585044343 GAAVFOGWPNCOOE-UHFFFAOYSA-N 253.107 -0.883 50 20 CBGD C[C@H]1C[C@H](NCc2ccc(B(O)O)o2)c2nccn21 585044468 JLSZLAREQQKQDD-WPRPVWTQSA-N 261.090 -0.049 50 20 CBGD CO[C@@]1(c2nc(-c3ccc(B(O)O)cc3)no2)CCOC1 585055002 PCLUUYIWRYSFPH-ZDUSSCGKSA-N 290.084 -0.322 50 20 CBGD O=C(NCB(O)O)[C@@H]1CC(=O)N(C2CCCCC2)C1 585061531 ZYZZKBKTHINTFX-SECBINFHSA-N 268.122 -0.704 50 20 CBGD Cc1ccc(OCC(=O)NNC(=S)NCC(N)=O)cc1 727067200 GKEHBRKMNGDVMY-UHFFFAOYSA-N 296.352 -0.646 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 746165192 NHIHWDVHYZWHJQ-ZETCQYMHSA-N 280.350 -0.945 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=S)NCCN(C)C 748604664 ADTSONPFCRUZFW-SECBINFHSA-N 292.405 -0.905 50 20 CBGD CN1CCC[C@@H](NC(=O)NNc2ncccn2)C1=O 748663700 DULHWTDCCLWJRD-MRVPVSSYSA-N 264.289 -0.277 50 20 CBGD O=C(CO)NNC(=O)c1ccc(Cn2cncn2)cc1 753438868 SORRJWDBURPOMO-UHFFFAOYSA-N 275.268 -0.920 50 20 CBGD CO[C@@H](C)CC(=O)NNc1ccc(C(N)=O)nn1 757399630 OMTNGPHYJXFWOM-LURJTMIESA-N 253.262 -0.556 50 20 CBGD CCCCS(=O)(=O)NCC(=O)NNc1cnccn1 775281623 SPIANGXSBVBWCK-UHFFFAOYSA-N 287.345 -0.361 50 20 CBGD CN(NC(=O)CCCCN1CCOCC1)C(N)=O 778418438 MBBKJSGPAYFVRD-UHFFFAOYSA-N 258.322 -0.469 50 20 CBGD COC(=O)CNC(=O)NN=C1CCCN(C)CC1 779817450 RZJFERNOTGNHAB-UHFFFAOYSA-N 256.306 -0.070 50 20 CBGD COC[C@@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C(N)=O 787476448 SFNOTKVTYPUZHK-GCZGVDRJSA-N 289.291 -0.084 50 20 CBGD Cn1nnc(CNC(=O)NNc2cccc(F)n2)n1 805388287 KLDYZBUCGFQMFV-UHFFFAOYSA-N 266.240 -0.430 50 20 CBGD O=C(NNC(=O)[C@H]1CCCSC1)C(=O)NC1CC1 809968718 FTMMSJCGMGWJPS-ZETCQYMHSA-N 271.342 -0.444 50 20 CBGD Cn1cccc1C(=O)NNS(=O)(=O)N1C[C@H]2CC[C@H]1C2 821134787 BPDZQRWRJVSWLT-UWVGGRQHSA-N 298.368 -0.011 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccc(-c2nn[nH]n2)s1 823948565 SHVLEWZDCSDJDH-UHFFFAOYSA-N 279.285 -0.746 50 20 CBGD CN(NC(=O)CNc1ccc(-c2nn[nH]n2)cc1)C(N)=O 826004182 MNOQHGRXXBXDIH-UHFFFAOYSA-N 290.287 -0.680 50 20 CBGD CCO/C=C(/C#N)C(=O)N1C[C@H](O)C[C@@H]1C(=O)OC 830366154 FTIHQZPCHQCKET-BUMYOJGDSA-N 268.269 -0.435 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@@H]1C[C@@H]1C(=O)O 833117877 GSGRXYCQOKKRRE-BDAKNGLRSA-N 263.253 -0.508 50 20 CBGD C[C@H]1CCCN(C(=O)C(=O)NNC(=O)[C@@H]2CCCCO2)C1 833241462 ATKLWIDPSWIWEL-QWRGUYRKSA-N 297.355 -0.039 50 20 CBGD CCN1C[C@H](NC(=O)NNC(=O)CC(C)C)CC1=O 836611392 PTROKRHNHZPAHD-SECBINFHSA-N 270.333 -0.016 50 20 CBGD COCCN(C)NC(=O)[C@H]1CCCCN1S(C)(=O)=O 837620525 BICXPLGPFUQYJO-SNVBAGLBSA-N 293.389 -0.590 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=S)NCC1CC1 849257962 GAIPSPJEDVOXPL-MRVPVSSYSA-N 275.374 -0.057 50 20 CBGD O=C(NNS(=O)(=O)CCCCCl)c1cc[nH]n1 849310672 JPVVLJQXAAQZSF-UHFFFAOYSA-N 280.737 -0.007 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCOCCF 852393481 GCAPFQTZOQGGJB-DTWKUNHWSA-N 277.296 -0.272 50 20 CBGD COc1cc(CCC(=O)NNC(=O)c2ncccn2)on1 854952846 OFFJJIPTEIXFIR-UHFFFAOYSA-N 291.267 -0.133 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@@H]1CCN(C)C1=O)C1CC1 855099890 PXEJUNJIGZOCRV-CBAPKCEASA-N 284.385 -0.242 50 20 CBGD C[C@@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)c1cc[nH]n1 855359166 HTTUKJAOUDFGHT-BDAKNGLRSA-N 282.300 -0.245 50 20 CBGD CC(C)N(C)C[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858470389 ZLRBLWHRAZNCEX-ZJUUUORDSA-N 299.375 -0.676 50 20 CBGD CC(C)O[C@H]1C[C@@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858531657 IJVTXFWJRAGKMI-AEJSXWLSSA-N 298.343 -0.449 50 20 CBGD Cc1cc(=NNC(=O)c2nc(N)nc(N(C)C)n2)cc[nH]1 862514230 UZBMNKOWBFWWRY-UHFFFAOYSA-N 288.315 -0.598 50 20 CBGD CCOC(=O)[C@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 863878316 CWJSCIZPTYSDIZ-GFCCVEGCSA-N 291.112 -0.466 50 20 CBGD C#CC[C@@H](NCc1ccc(B(O)O)cc1)C(=O)OC 863890144 NFBJLIDKBMKEDY-GFCCVEGCSA-N 261.086 -0.979 50 20 CBGD C[C@H]1CCOCCN1C(=O)c1cc(B(O)O)ccc1F 867219383 OEAGFHYUFAYONE-VIFPVBQESA-N 281.092 -0.244 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H](C)Oc1cccnc1 869909626 DLLCVOLHJMMABG-SNVBAGLBSA-N 297.311 -0.341 50 20 CBGD COCCOCC(=O)NNC(=O)CCn1cccc1 869910563 VEDQZVAXYOVGQD-UHFFFAOYSA-N 269.301 -0.311 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CN1CSCCSC1 907628709 ZPAPXFNUZRMBSW-UHFFFAOYSA-N 293.414 -0.398 50 20 CBGD CSSCCNC(=O)CN1CCNC(=O)C1 908070261 AHCMXTMZRHQPPN-UHFFFAOYSA-N 263.388 -0.454 50 20 CBGD O=C1CN(CC(=O)NNc2cccc(Cl)n2)CCN1 908353810 FOICVLFJXWZPLY-UHFFFAOYSA-N 283.719 -0.390 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCCCC[C@H]1CO 911947465 SJFVWTFVZNPQDQ-NSHDSACASA-N 295.119 -0.117 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CCN(C)C[C@@H]1CO 912740687 AWDWCIRBFDMIPV-DWOQACPDSA-N 253.302 -0.435 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)NCC1CC1 920859008 NSVKNKZDHJTYSH-SSDOTTSWSA-N 256.306 -0.359 50 20 CBGD CN1CC[C@@H]1CNC(=O)NNC(=O)Cc1ccncc1 925413357 JZNJCHMXJLKZHK-LLVKDONJSA-N 277.328 -0.341 50 20 CBGD Cc1nnc(NNC(=O)CCN2CCCC2=O)nc1O 1115973137 GNURECFJOGPJHY-UHFFFAOYSA-N 280.288 -0.659 50 20 CBGD N#Cc1ccc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)o1 1252253768 CREZJGSUIDIEJA-MRVPVSSYSA-N 296.308 -0.029 50 20 CBGD COC(=O)C(=O)NN=Cc1cc(C(=O)OC)c(C)o1 1318911769 NUFFVISDHVQZSZ-UHFFFAOYSA-N 268.225 -0.002 50 20 CBGD Cn1nc(C(=O)NNc2ncncc2Cl)ccc1=O 1320538878 TWVONWKTJMUOML-UHFFFAOYSA-N 280.675 -0.019 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)NCC(F)F 1321195439 UPLIARCMBNUHTR-UHFFFAOYSA-N 252.221 -0.940 50 20 CBGD CN(C)N(C(=O)c1ncccc1O)[C@@H]1CCS(=O)(=O)C1 1324085959 KNRYAOIUXRLGQN-SECBINFHSA-N 299.352 -0.107 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@@H]1CCCCCN1 1336274543 WAPGBEANXLIPLP-JTQLQIEISA-N 272.349 -0.115 50 20 CBGD CN(NC(=O)CC1(CS(C)(=O)=O)CC1)C(N)=O 1337072892 JRXSVKBYANTRDJ-UHFFFAOYSA-N 263.319 -0.757 50 20 CBGD CNC(=S)N(C)NC(=O)COCc1cc(C)on1 1337269151 YUVFNDPVIRNWLV-UHFFFAOYSA-N 272.330 -0.033 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cnn([C@@H](C)C2CC2)c1 1338443752 IQCSXXDHSQOHNV-ZETCQYMHSA-N 279.300 -0.040 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@H]1CCCS1(=O)=O 1346439282 WQDUBBJPEDWUQF-SNVBAGLBSA-N 297.336 -0.651 50 20 CBGD CNC(=O)NNC(=O)[C@@]1(N(C)C)COc2ccccc2C1 1520824462 KGQCBSDCADYSAJ-AWEZNQCLSA-N 292.339 -0.118 50 20 CBGD COCCOCC(=O)NNC(=O)/C=C\c1nccs1 1521707829 FMJZBOQCLUYCEA-IHWYPQMZSA-N 285.325 -0.033 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@@](C)(C(=O)O)C1 1588799596 SUSNRJHODBODQM-GFCCVEGCSA-N 271.317 -0.414 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CC[C@@H]1C[C@H](C(=O)O)CO1 1592761956 LUGLQNMGBMXXSG-LPEHRKFASA-N 274.317 -0.400 50 20 CBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)C(=O)O)CCS1 1594254441 ABSMPQLHZQGDAO-WDSKDSINSA-N 261.303 -0.315 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)NC[C@H](F)C(=O)O 1601371504 QAOQGPITCDVNSD-QMMMGPOBSA-N 284.247 -0.623 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)[C@@H]1CC(C(=O)O)=NO1 1602907599 BUXHZMIWHJRAHH-LURJTMIESA-N 273.245 -0.228 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C(=O)O)c1ccccn1 1604291087 KGVIUNDQSMURLG-ZCFIWIBFSA-N 252.230 -0.442 50 20 CBGD N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H](CO)C(=O)O 1610619399 VVIBXUKAFPEEHT-YOOZJCNJSA-N 276.248 -0.139 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@@H]1CC(=O)N(C)C1 67430430 KFKHBENBLXTNQE-SECBINFHSA-N 291.307 -0.066 50 20 CBGD CN(CC(=O)NNC(=O)c1cccs1)[C@H]1CCNC1 71310582 DVSQNEFOBJQNMK-VIFPVBQESA-N 282.369 -0.197 50 20 CBGD Cn1cc(C(=O)NNC(=O)C2(O)CCCC2)cn1 265350932 DBDHHLCJFJTZMJ-UHFFFAOYSA-N 252.274 -0.514 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H](C)n1cncn1 271380737 HMSIANMUVZWGCQ-SSDOTTSWSA-N 288.402 -0.303 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCCN2C2CC2)cn1 278992919 JOWDDZPEMDWTJV-LLVKDONJSA-N 277.328 -0.192 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1OC[C@H]2COCC[C@@H]21 290787901 SRVICONZKBOLBX-KXUCPTDWSA-N 294.311 -0.020 50 20 CBGD CNC(=O)NCCC(=O)NNC(=O)c1ccccc1 292348702 PREBZBNNGYIMQE-UHFFFAOYSA-N 264.285 -0.233 50 20 CBGD C#CCO[C@@H](C)C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 295626185 PMZOWUBIYLLHTR-GUBZILKMSA-N 254.286 -0.260 50 20 CBGD CCCN(CC(N)=O)S(=O)(=O)CBr 379417226 UEDYFNXQHNHFNF-UHFFFAOYSA-N 273.152 -0.134 50 20 CBGD CC(C)(C)OC(=O)N1CCC(=NNC(=O)C(N)=O)CC1 490918039 UJXYHQSYEBBTLC-UHFFFAOYSA-N 284.316 -0.025 50 20 CBGD O=C(CCOC1CCOCC1)Nc1cccc(B(O)O)c1 584912505 OMFGLVPGTDZXFL-UHFFFAOYSA-N 293.128 -0.109 50 20 CBGD C[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)NC(C)(C)C 584933496 HWMGACMYCPNLKY-SECBINFHSA-N 292.144 -0.601 50 20 CBGD O=C(NC[C@@H]1CCCCO1)c1ccc(B(O)O)cc1 584935406 JIQPSWPYSXDXDR-LBPRGKRZSA-N 263.102 -0.335 50 20 CBGD C[C@H]1[C@@H](C)OCCN1C(=O)c1cc(B(O)O)ccc1F 584962158 BFMKOPZNIFQWLN-DTWKUNHWSA-N 281.092 -0.245 50 20 CBGD C[C@H](CO)CN(C)C(=O)c1cc(B(O)O)ccc1F 584966879 BMEGLZRNLFAXTC-QMMMGPOBSA-N 269.081 -0.794 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@H](O)CC1 584995214 SIVVMBMIUPQPBR-JTQLQIEISA-N 281.092 -0.508 50 20 CBGD O=C1C[C@@H](NCc2ccc(B(O)O)cc2)[C@H]2CCCCN12 585041451 CSVOWVNLSBJSIL-ZIAGYGMSSA-N 288.156 -0.391 50 20 CBGD Cc1noc(C)c1CCC(=O)NNC(=O)CN(C)C 727761543 MYUJIQKNRHIDKK-UHFFFAOYSA-N 268.317 -0.067 50 20 CBGD CCOC(=O)CN(C)[C@@H](C)C(=O)NNC(=O)CC 731850297 UDWDIVBBNSFUJX-QMMMGPOBSA-N 259.306 -0.573 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O 746006105 NWVVMJMDOKFHST-NTSWFWBYSA-N 296.249 -0.254 50 20 CBGD Cn1cc(C#N)c(NC(=O)NNC(=O)c2cnccn2)n1 756870015 HAMCVVHZORLJOL-UHFFFAOYSA-N 286.255 -0.452 50 20 CBGD O=C(NNC(=O)[C@@H]1CN2CCCN1CC2)C1CCC1 764214110 BDMFVRJTFKIIOI-NSHDSACASA-N 266.345 -0.676 50 20 CBGD Cn1nnc(CNC(=O)NNc2cccc(C#N)c2)n1 787440104 GNPUTOIODITSQS-UHFFFAOYSA-N 272.272 -0.092 50 20 CBGD CCOCC1(C(=O)NNC(=O)C(=O)N2CCCC2)CC1 799595114 XTRJCZMIWIEBHL-UHFFFAOYSA-N 283.328 -0.427 50 20 CBGD CCN(CCO)NC(=O)c1cc(Cn2cccn2)on1 823884955 QBTKPCGRXBCJDT-UHFFFAOYSA-N 279.300 -0.122 50 20 CBGD CN(NC(=O)Cc1ccc(-c2nn[nH]n2)cc1)C(N)=O 826004280 QOSLUMIPFQZUDP-UHFFFAOYSA-N 275.272 -0.549 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cnc(C2CC2)nc1N 832749776 NQHKJUOUPTWSSH-UHFFFAOYSA-N 279.300 -0.532 50 20 CBGD CC(C)CN1C[C@H](C(=O)NNc2nc[nH]n2)CC1=O 839768795 FVBPYNJLBVPAOB-MRVPVSSYSA-N 266.305 -0.248 50 20 CBGD CC(=O)N1CC[C@](C)(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1 843655044 TXATYIJAIGKUAB-UDZFHETQSA-N 297.355 -0.183 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1cncc(O)c1 848386239 KWMHQXYCFFJVPA-GZMMTYOYSA-N 279.296 -0.098 50 20 CBGD CNC[C@@H](C)NC(=O)NNC(=O)CC(F)(F)F 851679400 BASXYRRXJIQKIJ-RXMQYKEDSA-N 256.228 -0.123 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)c1cc[nH]n1 855359480 TXZXANYIWZZDQK-LURJTMIESA-N 253.262 -0.915 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H]1CCN2CCCC[C@@H]12 858190770 NWTQWCJXOHBBEW-QWRGUYRKSA-N 292.343 -0.020 50 20 CBGD CN(C)[C@H](C(=O)NNC(=O)c1cn[nH]c1)c1cncn1C 862470746 VRFSJJIOQLZEKX-JTQLQIEISA-N 291.315 -0.793 50 20 CBGD CN(C)c1ccncc1C=NNC(=O)[C@@H]1CCC(=O)N1 863148193 WFKCBGPUNPGTJT-JTQLQIEISA-N 275.312 -0.124 50 20 CBGD CCC(CC)(NC(=O)c1cccc(B(O)O)c1)C(=O)OC 863880468 APTFJQFDXPUBRC-UHFFFAOYSA-N 293.128 -0.172 50 20 CBGD CN1CCN(C(=O)NNC(=O)C2(F)CCOCC2)CC1 868120606 KEQFDEPCJXEBSP-UHFFFAOYSA-N 288.323 -0.507 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cncc(N2CCCC2)n1 878681423 QDKMIAIVCMOZNO-UHFFFAOYSA-N 292.343 -0.601 50 20 CBGD CSCc1cn(CC(=O)NNC(=O)C(C)C)nn1 881299862 YMXNCNLMWVGUDL-UHFFFAOYSA-N 271.346 -0.056 50 20 CBGD COCCN(C)NC(=O)Nc1cc(C(=O)OC)n(C)n1 889079291 JNOOHNQUDCUJLR-UHFFFAOYSA-N 285.304 -0.179 50 20 CBGD CN1CCO[C@H](C(=O)NCC(Cl)Cl)C1=O 908184420 HNEHVLNNQRPUAR-ZCFIWIBFSA-N 255.101 -0.237 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cccc(C#CCO)c1 911449071 VWHYBWYAIXTJCX-LLVKDONJSA-N 262.309 -0.012 50 20 CBGD C[C@@H]1NC(=O)[C@H](C)N(CC(=O)NNC(=O)C(C)(C)C)[C@H]1C 930839089 UXWZVOMSSZBLRP-GUBZILKMSA-N 298.387 -0.223 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)c1ccncn1 1116910128 XDPROINLQPCXFO-UHFFFAOYSA-N 263.179 -0.017 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCS(=O)(=O)C1)C1CC1 1118236601 WWVKQCSVTRWUHP-MRVPVSSYSA-N 260.315 -0.631 50 20 CBGD CNc1nc(C(=O)N2CC[C@H](B(O)O)C2)cs1 1119541553 ZFYZJVQYWXMJFU-LURJTMIESA-N 255.108 -0.126 50 20 CBGD O=C(NNC(=S)NCC1CCC1)c1cnn(CCO)c1 1123832658 KXWDYOXSZJLKRT-UHFFFAOYSA-N 297.384 -0.216 50 20 CBGD O=C(NNC(=O)c1cccc[n+]1[O-])c1ccncc1 1318981235 DJNSIILBVPJEBS-UHFFFAOYSA-N 258.237 -0.210 50 20 CBGD CN(C)Cc1cc(C(=O)NNC(=O)NC2CC2)no1 1319977542 DAZJPZHUAJTGJL-UHFFFAOYSA-N 267.289 -0.157 50 20 CBGD CCOC(CCNC(=O)NNC(=O)C(=O)OC)OCC 1320620531 AUQYKUVXVHSFLE-UHFFFAOYSA-N 291.304 -0.721 50 20 CBGD O=C(NCCNC(=O)C1CC1)NNC(=O)c1ccc[nH]1 1322088750 KLKAOYOARAOECT-UHFFFAOYSA-N 279.300 -0.515 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccc(CN)cc1F 1328729588 FVLYEIFUAGKZHL-UHFFFAOYSA-N 298.274 -0.712 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cnn2ccncc12 1328955860 MYYXDENRVSNSGR-UHFFFAOYSA-N 285.267 -0.544 50 20 CBGD Cc1nn(C)c(C)c1C(=O)N1CC[C@@H](B(O)O)C1 1329294232 ZTQMHLZBDDQWCS-SECBINFHSA-N 251.095 -0.274 50 20 CBGD CCCc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331802537 FCVIWVZYXXYTAL-VIFPVBQESA-N 279.300 -0.598 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1cnc[nH]1 1332208830 SIJPRYGJXWKUJI-CBAPKCEASA-N 252.274 -0.475 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCS1(=O)=O)c1ccc[nH]1 1332863133 TWYYBXNGQBQACB-QMMMGPOBSA-N 271.298 -0.647 50 20 CBGD C[C@@H](C(=O)NNC(=O)N=c1cc[nH]cc1)[C@@H]1CCC(=O)N1 1335202838 RAWIIGNPTARBTQ-SCZZXKLOSA-N 291.311 -0.429 50 20 CBGD COc1nccnc1NNC(=O)CN1CCC(CO)CC1 1337267193 HSBDOJGAYHNGBE-UHFFFAOYSA-N 295.343 -0.367 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](c1nncn1C)C(C)C 1342551067 JOJRRRSUIKGCKH-SSDOTTSWSA-N 298.303 -0.984 50 20 CBGD O=C(CCO)NNC(=O)Nc1ccnn1C[C@H]1CCOC1 1342970077 GZWGBGRWPAXHBQ-SECBINFHSA-N 297.315 -0.545 50 20 CBGD CCCCNC(=O)NNC(=O)CN1C(=O)CCC1=O 1346328692 FUSBGVQOKIAMDI-UHFFFAOYSA-N 270.289 -0.734 50 20 CBGD CCNC(=O)N(C)NC(=O)CN1CCC(N)CC1 1577792667 CGCJUURHOBNYLL-UHFFFAOYSA-N 257.338 -0.898 50 20 CBGD NCC[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)C(F)F 1580283262 LMVIQEBNLCNFBF-ZCFIWIBFSA-N 276.247 -0.664 50 20 CBGD O=C(Cn1cccn1)NNc1ccc(-c2nn[nH]n2)cn1 1582194305 AOOFYJPRDFRVCI-UHFFFAOYSA-N 285.271 -0.399 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@]2(C(=O)O)C[C@H]2C)n1 1594298638 WGNSYBSYXLINIQ-UHLUBPPHSA-N 294.311 -0.242 50 20 CBGD O=C(O)CNC(=O)NN=Cc1cn(-c2ccccc2)nn1 1602071930 BUABLWKMYSRLJM-UHFFFAOYSA-N 288.267 -0.015 50 20 CBGD O=C(O)c1ccc(NNC(=O)C2CS(=O)(=O)C2)nc1 1602385693 ZDRFVQASLWUOJD-UHFFFAOYSA-N 285.281 -0.733 50 20 CBGD CC(C)(CS(=O)(=O)NNC(=O)[C@H]1CCCO1)C(=O)O 1603659694 HPTHNRSEAVUJPT-SSDOTTSWSA-N 294.329 -0.773 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cncc(C(=O)O)c1 1604203526 RNNFJQJISGKHMA-SSDOTTSWSA-N 253.258 -0.263 50 20 CBGD CN(NC(=O)Cc1ccc(-c2nn[nH]n2)nc1)C1CC1 1604826775 JJAIFIBMNVOFEL-UHFFFAOYSA-N 273.300 -0.070 50 20 CBGD O=C(NNc1nc[nH]n1)c1cscc1-c1nn[nH]n1 1606863394 YAZPGVQFKFEJSY-UHFFFAOYSA-N 277.273 -0.197 50 20 CBGD COC(=O)NNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C 12968504 RGOSJXYVEBOTPG-UHFFFAOYSA-N 299.308 -0.245 50 20 CBGD CCCCNC(=O)NNC(=O)C[C@@H]1CCS(=O)(=O)C1 48645014 QSFQFCUZHKSWKT-VIFPVBQESA-N 291.373 -0.058 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=O)NCC1CC1 49166479 FUMPUCVVBUPBJY-UHFFFAOYSA-N 258.278 -0.575 50 20 CBGD CCC[C@H](C)N1C[C@@H](C(=O)NNC(=O)NC)CC1=O 97714378 QKSWVXBPIGNIHE-IUCAKERBSA-N 270.333 -0.016 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H](c1ccccc1)N(C)C 113425830 JKJKDROJVSREPS-CYBMUJFWSA-N 278.356 -0.002 50 20 CBGD CCOc1ccc(CC(=O)NNC(=O)CO)cc1 180957894 ZCMOSFIWYCPNDN-UHFFFAOYSA-N 252.270 -0.233 50 20 CBGD COc1nccnc1NNC(=O)CN1CSCC1=O 274068780 JPSTZHKWSILJJM-UHFFFAOYSA-N 283.313 -0.539 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 290787904 SRVICONZKBOLBX-LPEHRKFASA-N 294.311 -0.020 50 20 CBGD COC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)[C@@H]1CCCO1 292083463 GAMQKPUQEOUGSU-VGMNWLOBSA-N 270.285 -0.488 50 20 CBGD C[C@@H]1CC(=O)N[C@H](C(=O)NNC(=O)NCC(F)(F)F)C1 293611230 LVSABSYGRQQGMX-WDSKDSINSA-N 296.249 -0.206 50 20 CBGD O=C(CC1CC1)NNC(=O)CN1CSCC1=O 294298979 WWIUHJPBOJIGQD-UHFFFAOYSA-N 257.315 -0.533 50 20 CBGD C/C=C/C=C\C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 491250832 VPGPXUJVWIVTDR-DUVSRYBSSA-N 287.341 -0.364 50 20 CBGD COC[C@H](C)CNC(=O)c1ccc(B(O)O)cc1 584935426 KDYKSHPCAJEBIJ-SECBINFHSA-N 251.091 -0.621 50 20 CBGD C[C@@]1(CO)CCC[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584962353 MFZUBAZCCWYDIN-JSGCOSHPSA-N 295.119 -0.214 50 20 CBGD CC1(CO)CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584973946 DFEIJLMRZUUIAA-UHFFFAOYSA-N 295.119 -0.260 50 20 CBGD C[C@@H]1CSC[C@@H]1NC(=O)c1cccc(B(O)O)c1 584988285 JVJAAEMUESQWER-KCJUWKMLSA-N 265.143 -0.152 50 20 CBGD CN(C)C(=O)CCCNCc1ccc(B(O)O)cc1F 585022160 UAUMRBCEBJHTRM-UHFFFAOYSA-N 282.124 -0.537 50 20 CBGD COCCN1CC[C@@H](NCc2ccc(B(O)O)cc2F)C1 585028290 IVROXBKRAQACHV-CYBMUJFWSA-N 296.151 -0.684 50 20 CBGD OB(O)c1ccc(CNCCCO[C@@H]2CCOC2)o1 585029550 AQVNQVKMVHDXIU-LLVKDONJSA-N 269.106 -0.755 50 20 CBGD CCO[C@H]1COCC[C@H]1NCc1ccc(B(O)O)cc1 585034969 ODOXOUSQAFVVIC-KGLIPLIRSA-N 279.145 -0.350 50 20 CBGD COc1ncccc1CCNCc1ccc(B(O)O)o1 585040969 LICUJCBLZBBEOG-UHFFFAOYSA-N 276.101 -0.305 50 20 CBGD CC(C[C@@H]1CCOC1)=NNC(=O)[C@H](C)NS(C)(=O)=O 751530164 YZCNMRFYIQMXQQ-UWVGGRQHSA-N 291.373 -0.157 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@H]1CCNC(=O)C1 760563914 ZOPHSCNLKRLYPJ-VIFPVBQESA-N 291.307 -0.018 50 20 CBGD CN1C[C@H](C(=O)NNc2ncc(F)cn2)CC1=O 760915130 WCTOUMQBZKKBGV-ZCFIWIBFSA-N 253.237 -0.463 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CCN(C(=O)CC)C1 762387410 SNMVXNSIGHMNCY-VIFPVBQESA-N 286.332 -0.636 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccnn1C 766021033 QQUAMDVVDQECEI-MRVPVSSYSA-N 287.345 -0.802 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)COc1cc(C)on1 771900910 KRUUJODMHAIUPS-QMMMGPOBSA-N 299.283 -0.149 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCS1(=O)=O)NC1CC1 772416909 QNMQETONIFNDSV-QMMMGPOBSA-N 275.330 -0.554 50 20 CBGD COC(=O)c1ccc(O)c(C=NNC(=O)CO)c1 776782961 IKUHNNGBQSTORM-UHFFFAOYSA-N 252.226 -0.379 50 20 CBGD CC(C)CN1C[C@@H](C(=O)NN(C)C(N)=O)CC1=O 778415191 SDDBEIZJZRBOAH-QMMMGPOBSA-N 256.306 -0.467 50 20 CBGD NC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)N2CCOCC2)C1 786846114 UQNRHTCGQVDZSY-UWVGGRQHSA-N 298.343 -0.649 50 20 CBGD CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1c[nH]nc1C 796249185 VEGFOKRGQXPJAH-NSHDSACASA-N 293.327 -0.120 50 20 CBGD CN(C)CC(=O)NNC(=O)Cc1ccc(Cl)cn1 806772470 PWYTZWPJPZGJML-UHFFFAOYSA-N 270.720 -0.014 50 20 CBGD O=C(CO)NNC(=O)[C@H]1C[C@@H](c2ccccc2)OC1=O 809749406 GWMXIHSSRIHLME-ZJUUUORDSA-N 278.264 -0.570 50 20 CBGD COCCC(COC)=NNC(=O)N1CCN(C)CC1 812229443 BEHAYKPQDHCAST-UHFFFAOYSA-N 272.349 -0.018 50 20 CBGD CN1C[C@H](C(=O)NNC(=O)c2cccc(F)n2)CC1=O 818387032 KKZWDFZXFWNQGT-SSDOTTSWSA-N 280.259 -0.540 50 20 CBGD O=C(NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)C1CCOCC1 818402828 DQMZKDOWNGBONN-SNVBAGLBSA-N 295.339 -0.429 50 20 CBGD CC(C)Cn1[nH]c(CC(=O)NN(C)C[C@H](C)O)cc1=O 822558661 VNMLDDMAXMIXAM-JTQLQIEISA-N 284.360 -0.281 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CCCN1c1ncccn1 823846924 OVCAUWAIVCSAID-NSHDSACASA-N 279.344 -0.209 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 823907591 NKEUCNHXALSZLB-ZJUUUORDSA-N 295.343 -0.883 50 20 CBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NN(C)[C@@H](C)CO)C2 823918366 VZXRTMNVSNJANB-BJDJZHNGSA-N 297.355 -0.027 50 20 CBGD CC[C@H](C)[C@H](NC(C)=O)C(=O)NN(C)[C@H](C)CO 823922175 IMQYIAXYKQBDJR-NGZCFLSTSA-N 259.350 -0.119 50 20 CBGD CC(=O)N1CCC[C@@H](C(=O)NN(C)[C@@H](C)CO)C1 823983583 XHWYMBFUOULBGA-GXSJLCMTSA-N 257.334 -0.411 50 20 CBGD C[C@H](CC(=O)O)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 827247728 PXPYFWZLSTUCAA-BDAKNGLRSA-N 292.357 -0.411 50 20 CBGD COCC(COC)NC(=O)NNC(=O)[C@H]1CCCCO1 836611675 QSHBTTOBUUKHKQ-SNVBAGLBSA-N 289.332 -0.453 50 20 CBGD CN(C)CC(=O)NNC(=O)C1SCCCS1 842232473 XATBICGUVAUDFC-UHFFFAOYSA-N 263.388 -0.108 50 20 CBGD CC(C)N(C)S(=O)(=O)NNC(=O)[C@@H]1CCO[C@H]1C 842591905 HJPAMKQBIBJHOP-DTWKUNHWSA-N 279.362 -0.383 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)nn1 843663246 XIVZWAUTANCMOU-DTWKUNHWSA-N 264.285 -0.029 50 20 CBGD CC(=O)C1(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1 843970331 DUHWSVLQINRUHH-CBAPKCEASA-N 254.286 -0.072 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H]1CCc2nnnn2CC1 845295930 HZYPMTJXFYVVRO-VIFPVBQESA-N 295.347 -0.244 50 20 CBGD C=C[C@@H](C)ONC(=O)NNC(=O)CNC(=O)c1ccco1 845642897 VHUWNDYHGWKRMB-MRVPVSSYSA-N 296.283 -0.154 50 20 CBGD Cn1cc(Cl)cc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 849197144 WWNQCPGRTRUEDA-ZETCQYMHSA-N 284.703 -0.282 50 20 CBGD C=C[C@H](CO)N[C@@H](C)C(=O)NNC(=O)CC(C)C 852714684 YOCIZALVLGPUJP-VHSXEESVSA-N 257.334 -0.295 50 20 CBGD O=C(CC1CC1)NNC(=O)c1ccn2nnnc2c1 854667886 RJCUPDOOJOLKEO-UHFFFAOYSA-N 260.257 -0.315 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 855100786 JAPGWKIYDLXPKZ-SVRRBLITSA-N 270.358 -0.441 50 20 CBGD CC(C)(C)n1cc(C(=O)NNC(=O)c2cc[nH]n2)nn1 855357013 XRXVYPFQXHVWQH-UHFFFAOYSA-N 277.288 -0.169 50 20 CBGD Cc1cc(=NNC(=O)CCS(=O)(=O)N(C)C)cc[nH]1 862513136 CNOSGXGXYOVOKZ-UHFFFAOYSA-N 286.357 -0.463 50 20 CBGD Cc1cncc(C(=O)NNC(=O)CS(C)(=O)=O)c1 863462664 IAFDWVBLISKXAD-UHFFFAOYSA-N 271.298 -0.804 50 20 CBGD CN(C[C@@H](O)C1CC1)C(=O)c1ccc(B(O)O)cc1 863876999 OZZUVTCEGCTCTC-GFCCVEGCSA-N 263.102 -0.791 50 20 CBGD C=CCCn1cc(C=NNC(=O)COCCOC)nn1 872400623 WRAJGUZKASKRFZ-UHFFFAOYSA-N 281.316 -0.033 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H](C)N1C(=O)CCC1=O 887140755 RCNVWVMTEWHDOZ-SECBINFHSA-N 279.296 -0.525 50 20 CBGD C=CCNC(=S)NNC(=O)CNC(=O)N1CCCC1 899939660 VVHIVVNDTZARQX-UHFFFAOYSA-N 285.373 -0.527 50 20 CBGD CCCCOCC(=O)NNC(=O)CN1CCCC1=O 913730831 KRSCNDDIEYVEKS-UHFFFAOYSA-N 271.317 -0.427 50 20 CBGD CN(C)C(=O)CNC(=S)NNC(=O)c1ccccc1O 918716414 RLLNOHFEAOUCQU-UHFFFAOYSA-N 296.352 -0.411 50 20 CBGD COC(=O)NNC(=O)c1c(C)oc2ncn(C)c(=O)c12 1115818927 PDRDXIBDXIOLHF-UHFFFAOYSA-N 280.240 -0.164 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCOC1)C(=O)Nc1ccccn1 1116262637 ZDUASHIKLAMOAT-SECBINFHSA-N 292.295 -0.406 50 20 CBGD COc1ccc(NNC(=O)C(=O)Nc2ccnn2C)nc1 1116713886 TVAYNORGPKUUQV-UHFFFAOYSA-N 290.283 -0.095 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCc1cn[nH]c1 1117692280 SSGCYHMOXRNIEE-VIFPVBQESA-N 299.331 -0.666 50 20 CBGD Cc1cncc(/C=C/C(=O)NNC(=O)CS(C)(=O)=O)c1 1118895206 KRVCVZQAQDAXML-ONEGZZNKSA-N 297.336 -0.405 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CCc2cnn(C)c2C1 1256524584 WLSZXVQAIBRRQP-ZETCQYMHSA-N 251.290 -0.515 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 1318671768 KZVSBKXLXBHFCF-SNVBAGLBSA-N 294.359 -0.015 50 20 CBGD CNC(=O)c1cccc(C(=O)NN(C)C(N)=O)c1 1319730262 VATUDPNOYWHGGK-UHFFFAOYSA-N 250.258 -0.299 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1Cc2cccc(O)c2C1 1320747516 RYUSQSKWZFEOKF-QMMMGPOBSA-N 293.279 -0.637 50 20 CBGD O=C(NCC(=O)N1CCCC1)NNC(=O)C1CCC1 1322712587 FJTPHEMTLFMNLY-UHFFFAOYSA-N 268.317 -0.261 50 20 CBGD COC[C@H](CO)NC(=O)NNC(=O)c1cccc(C)n1 1324001572 RSJPVURWAOBLOI-VIFPVBQESA-N 282.300 -0.659 50 20 CBGD C[C@H]1C[C@H](NC(=O)NNC(=O)c2cnn(C)c2)CO1 1332117567 BJWLVTWNDLVUPB-CBAPKCEASA-N 267.289 -0.459 50 20 CBGD CC(C)n1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 1348388122 NUNRHLHIJVBLSJ-MRVPVSSYSA-N 279.300 -0.496 50 20 CBGD CC(Cn1cncn1)=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1 1549318032 ZVOUDJGZIOIFPU-RYUDHWBXSA-N 292.343 -0.367 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@]12C[C@H]1CCCN2 1577069785 TYAHEYOUNZNLJV-OTYXRUKQSA-N 296.371 -0.419 50 20 CBGD C[C@H](CC(N)=O)C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1589800414 JAPLCKXWLYXGJC-ZCFIWIBFSA-N 290.287 -0.784 50 20 CBGD Cc1oc(C(=O)O)cc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1600826405 PYJFPUFQPFZKKP-ZETCQYMHSA-N 295.251 -0.674 50 20 CBGD Cn1c(C(=O)O)ccc1C(=O)NNc1nccn(C)c1=O 1600904450 VXHHFKJTFVZICA-UHFFFAOYSA-N 291.267 -0.426 50 20 CBGD COCCNC(=O)/C(C#N)=C/c1cc(C(=O)O)nn1C 1776118140 UJHVSRFFVUIQRE-VMPITWQZSA-N 278.268 -0.212 50 20 CBGD NNC(=O)c1cc(I)n[nH]1 2332240308 NQKDMWRUIXEOHZ-UHFFFAOYSA-N 252.015 -0.382 50 20 CBGD O=C(NNC(=O)c1cccs1)C(=O)NC1CC1 48390984 IGDLMDKAAYLFOU-UHFFFAOYSA-N 253.283 -0.212 50 20 CBGD COC(=O)NCC(=O)NNC(=O)c1cccc(OC)c1O 65113958 ZPXQAOKXORILQF-UHFFFAOYSA-N 297.267 -0.482 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)c2ccncc2)C1 173592616 VTJYVKAJLOPEEV-JTQLQIEISA-N 264.285 -0.827 50 20 CBGD Cc1nn(-c2ccccc2)cc1C(=O)NNC(=O)CO 182770942 DEJRASMWZDXPBQ-UHFFFAOYSA-N 274.280 -0.066 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1[nH]nc2c1CCCC2 190058338 MYVHHCTZCBRYHY-UHFFFAOYSA-N 266.301 -0.180 50 20 CBGD Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NN 192505022 VICRQHJPCQRCPF-SNVBAGLBSA-N 264.264 -0.106 50 20 CBGD CC(=O)CCCC(=O)NNC(=O)N1CCOCC1 274706435 WJEHOEUIBWVKMA-UHFFFAOYSA-N 257.290 -0.181 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CN1CCSC1=O 277888458 FMKKVTJRUZIQML-UHFFFAOYSA-N 261.303 -0.927 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2CCCC(=O)N2)n1 279863717 VJWXVZTUCZCQPW-JTQLQIEISA-N 276.296 -0.180 50 20 CBGD CCc1ccccc1OCC(=O)NNC(=O)CNC(C)=O 298271379 JSGSXJAACJSNNU-UHFFFAOYSA-N 293.323 -0.089 50 20 CBGD CC1(C)C[C@@H]1NC(=O)NNC(=O)C(=O)NC1CC1 299095658 VPSPESGLJWVKRA-ZETCQYMHSA-N 254.290 -0.606 50 20 CBGD COC[C@](C)(O)CNS(=O)(=O)CCCCl 382563651 MOGJWKZQRUNCHM-MRVPVSSYSA-N 259.755 -0.068 50 20 CBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1cc(Cl)nc(N)n1 495897348 RXPHZSGDQQLSBG-CVYQJGLWSA-N 286.679 -0.348 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@@H](C)O1 584924419 SQZMCZAPVQJCQB-RKDXNWHRSA-N 281.092 -0.245 50 20 CBGD CCN1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)C1 584933358 FPVWHRZJPYNFPA-NSHDSACASA-N 276.145 -0.562 50 20 CBGD CN(C)C(=O)C(C)(C)NC(=O)c1cc(B(O)O)ccc1F 584944888 STOJYQWVWQAABP-UHFFFAOYSA-N 296.107 -0.898 50 20 CBGD C[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584960445 KXEGWTFMFJAKRU-MRVPVSSYSA-N 251.066 -0.013 50 20 CBGD C[C@](O)(CNC(=O)c1cccc(B(O)O)c1)C(F)(F)F 584968205 UQIPDKNCJZUVTJ-JTQLQIEISA-N 291.034 -0.591 50 20 CBGD O=C(NCCCCO)c1ccc(B(O)O)c(F)c1 584983610 WYRHQLGTPLJGGN-UHFFFAOYSA-N 255.054 -0.992 50 20 CBGD COCC1(NC(=O)c2ccc(B(O)O)cc2)CCC1 584993066 GESXZSYBSATSFX-UHFFFAOYSA-N 263.102 -0.335 50 20 CBGD COC[C@](C)(O)CCNC(=O)c1ccc(B(O)O)c(F)c1 584995737 QYCHMKUKOLOKLF-CYBMUJFWSA-N 299.107 -0.977 50 20 CBGD OB(O)c1ccc(CNCCCCn2cnnc2)c(F)c1 585026835 KUUYXIFSHUWYDL-UHFFFAOYSA-N 292.123 -0.333 50 20 CBGD CN1CC[C@H](c2nc(-c3cccc(B(O)O)c3)no2)C1=O 585054382 UJSCIXKMKCVPDK-SNVBAGLBSA-N 287.084 -0.638 50 20 CBGD O=S(=O)(NCB(O)O)c1cccc2c1OCCCO2 585057006 GXJARBUIZIWGKM-UHFFFAOYSA-N 287.102 -0.862 50 20 CBGD O=C(NCB(O)O)[C@H]1CCCC[C@H]1n1cccn1 585062340 GWVMPKPEJLLGNW-VHSXEESVSA-N 251.095 -0.257 50 20 CBGD O=C(NCCC(=O)N1CC[C@H](B(O)O)C1)c1cccs1 585074213 KGJPEJVWEVUGJX-VIFPVBQESA-N 296.157 -0.057 50 20 CBGD O=C(CNCC(F)(F)F)NNC(=O)N1CCOCC1 733141259 DPFFRHJIFPIUKX-UHFFFAOYSA-N 284.238 -0.789 50 20 CBGD CCCNC(=O)NNC(=O)COC[C@H]1CCCO1 733256148 PWPKCCYAPDZZOD-SECBINFHSA-N 259.306 -0.078 50 20 CBGD COc1ncc(C(=O)NNC(=O)NC2CC2)cn1 733952225 ZDZVQAVOAVDSSM-UHFFFAOYSA-N 251.246 -0.408 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1COCCO1 744451772 WKYNPAQEHWYVBW-VIFPVBQESA-N 266.257 -0.928 50 20 CBGD CCc1ccc(O)c(C(=O)NNC(=O)C(=O)NC2CC2)c1 748829267 FLDXUJZTJAMKRW-UHFFFAOYSA-N 291.307 -0.006 50 20 CBGD COC[C@H](NC(=O)NNC(=O)C(=O)N1CCCC1)C1CC1 750447417 RLAJMBNUZPUMQE-JTQLQIEISA-N 298.343 -0.636 50 20 CBGD COCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)C1CC1 754258084 HCIIFPIJTCJOMV-SSDOTTSWSA-N 277.346 -0.547 50 20 CBGD NC(=O)c1cc(C(=O)NNC(=O)c2ccccn2)co1 759369646 MAFZJINMZJTEPN-UHFFFAOYSA-N 274.236 -0.152 50 20 CBGD CCn1cc(-c2nn(C)cc2C(=O)NN(C)C(N)=O)cn1 779040344 HZQQVUIEYOZGAM-UHFFFAOYSA-N 291.315 -0.041 50 20 CBGD Cc1nc(CC(=O)NNC(=O)C(C)(C)O)cs1 787946074 OCGFBDNGXBTUMN-UHFFFAOYSA-N 257.315 -0.088 50 20 CBGD O=C(CCn1cnccc1=O)NNc1nc2ccccn2n1 816467563 DQLHKUTUNGRKMX-UHFFFAOYSA-N 299.294 -0.181 50 20 CBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CC2CC2)co1 819136463 XYRRLTCKRVHHKJ-UHFFFAOYSA-N 287.297 -0.512 50 20 CBGD CN(NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)C1CC1 819647611 PSOMDCQEZMZFCT-LLVKDONJSA-N 296.352 -0.158 50 20 CBGD CC(C)Cn1[nH]c(CC(=O)NN(C)C[C@@H](C)O)cc1=O 822558662 VNMLDDMAXMIXAM-SNVBAGLBSA-N 284.360 -0.281 50 20 CBGD O=CN1CCC[C@H]1C(=O)NNC(=O)NCC1CC1 823805095 XTCMDXHPYDXBMK-VIFPVBQESA-N 254.290 -0.652 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CCc2n[nH]cc2C1 823869179 CEODEXMSHBBLSI-VIFPVBQESA-N 252.318 -0.140 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C)CC(=O)O 828861705 FECMLOGXBDVUER-ZETCQYMHSA-N 287.316 -0.451 50 20 CBGD C[C@@H]1CC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)CO1 842525751 VUAKKRYLUSDMKX-HTQZYQBOSA-N 260.315 -0.298 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843640825 PYYDMOAMTDEFRW-FJXKBIBVSA-N 257.290 -0.917 50 20 CBGD COCCN(C)NC(=O)C12CC(C(=O)OC)(C1)C2 843882383 ONWXXPHAZBQFHC-UHFFFAOYSA-N 256.302 -0.061 50 20 CBGD CCOC(=O)[C@H](CC(=O)NN(C)C(=S)NC)C(C)=O 854921625 UTJFLMUVJYFYIY-MRVPVSSYSA-N 289.357 -0.388 50 20 CBGD C[C@@H]1CSC[C@@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858448550 CIGRYTOTOANPEP-CSMHCCOUSA-N 286.357 -0.653 50 20 CBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNc2ccnc(F)c2)O1 860694877 MYHAFQMXFKTODV-JGVFFNPUSA-N 268.248 -0.303 50 20 CBGD C[C@]1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1(F)F 862462887 ZYZPSSPKUHGOFH-MLUIRONXSA-N 261.228 -0.542 50 20 CBGD C=CCCn1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)nn1 863151339 LAMSIEWSLZLEQA-JTQLQIEISA-N 276.300 -0.417 50 20 CBGD COC(=O)[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1C 863880191 QJSQEQWZSFWWKJ-JOYOIKCWSA-N 291.112 -0.610 50 20 CBGD CN(CC(=O)NNc1ccc(C(N)=O)nn1)C1CCC1 863895322 LMGUGJDTXQVUNS-UHFFFAOYSA-N 278.316 -0.497 50 20 CBGD O=C(NNC(=O)[C@H]1CCCNC1=O)[C@@H]1CCCCO1 868618845 BJYBSHWCXZTGQH-IUCAKERBSA-N 269.301 -0.771 50 20 CBGD COCCOCC(=O)NNC(=O)CC1(COC)CC1 869902998 FUUNNQYGBRDPIZ-UHFFFAOYSA-N 274.317 -0.387 50 20 CBGD C#CCCCC(=O)NNC(=O)COCc1ccnn1C 887149199 NHKQYVXGRQMUFN-UHFFFAOYSA-N 278.312 -0.112 50 20 CBGD COCc1nn(C)cc1C(=O)NNC(=O)[C@@H]1CCCCO1 891256056 DVSIUXWFCJLCNI-NSHDSACASA-N 296.327 -0.103 50 20 CBGD Nc1nccnc1C(=O)NNC(=O)CC(F)(F)F 918364359 NNAJANMUHOPUEJ-UHFFFAOYSA-N 263.179 -0.228 50 20 CBGD O=C(NCC1CC1)NNS(=O)(=O)c1cn[nH]c1 920833944 IEXCDWNRUQUZBY-UHFFFAOYSA-N 259.291 -0.688 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cnc2onc(C)c2c1 1115957379 IHPPXTBNDQMQHD-UHFFFAOYSA-N 285.285 -0.346 50 20 CBGD Cc1ncncc1C(=O)NNC(=O)Cc1cc[nH]n1 1116560450 NEWGBOGNYXQWOI-UHFFFAOYSA-N 260.257 -0.488 50 20 CBGD C[C@@H](Cc1cnn(C)c1)C(=O)NNc1cnnn1C 1118827264 JKRBUFIMJTUADA-QMMMGPOBSA-N 263.305 -0.130 50 20 CBGD O=C(CNC(=O)N1CCCC1)NNC(=O)C1CCOCC1 1119619141 WWBLNBKQIUZBOO-UHFFFAOYSA-N 298.343 -0.634 50 20 CBGD Nc1cnnc(NNC(=O)[C@@H]2CCC(=O)N2)c1Cl 1253123454 HUUJQVVETFDGGD-YFKPBYRVSA-N 270.680 -0.566 50 20 CBGD O=C(NN=Cc1cncs1)N[C@@H]1CCS(=O)(=O)C1 1253154956 FBVWKLIPJACGPK-SSDOTTSWSA-N 288.354 -0.037 50 20 CBGD CCNC(=O)NNC(=O)CCc1c(C)nc(O)nc1O 1318090207 UYNOWNOGRYJHET-UHFFFAOYSA-N 283.288 -0.521 50 20 CBGD Cc1cc(CNC(=O)NNC(=O)c2cnn(C)c2)n[nH]1 1318691843 HKDYHEFPFCUWTG-UHFFFAOYSA-N 277.288 -0.404 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccccn1 1322252418 CHMMOSJBQUYCMJ-UHFFFAOYSA-N 252.230 -0.915 50 20 CBGD CS(=O)(=O)C1(C(=O)NNc2nc3ccccn3n2)CC1 1324958314 XKANMYAVUZQFEP-UHFFFAOYSA-N 295.324 -0.250 50 20 CBGD CO[C@H](C)CNC(=O)NNC(=O)c1ncccn1 1327582251 KHZCPNWDHNLSEB-SSDOTTSWSA-N 253.262 -0.545 50 20 CBGD CC(=O)N[C@H](C)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1327707307 DOXKXKICDZEFMK-SCZZXKLOSA-N 291.373 -0.997 50 20 CBGD CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(N)nc1 1343878470 YYUUPEFAQTWBEF-JTQLQIEISA-N 296.352 -0.061 50 20 CBGD C[C@@H](NNC(=O)COCc1nncn1C)C(F)(F)F 1348384614 XORQLYSKOKDXOI-ZCFIWIBFSA-N 281.238 -0.097 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)N[C@@H]1CCNC1 1351546391 OCLUHBWERPDEIC-SNVBAGLBSA-N 263.301 -0.684 50 20 CBGD Nc1cnnc(NNC(=O)CN2C(=O)CCC2=O)c1Cl 1521189580 RUIGSNMVHGEKCL-UHFFFAOYSA-N 298.690 -0.696 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C(=O)O)C(C)C 1588923326 RVXRFOKXZFWODD-SSDOTTSWSA-N 273.289 -0.985 50 20 CBGD CO[C@](C)(C(=O)O)C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 1593927252 VDKWMPQWLPARKA-HFJPGXAFSA-N 274.273 -0.809 50 20 CBGD COc1cccc(NNC(=O)[C@@H](OC)C(=O)O)n1 1594131872 SITPRCXTVBJYJN-MRVPVSSYSA-N 255.230 -0.367 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccc(C(=O)O)n1C 1599226623 CZDHPXBTOWYEPO-UHFFFAOYSA-N 298.299 -0.296 50 20 CBGD CCOCC(=O)NNC(=O)Nc1cccnc1C(=O)O 1603835164 QJGUDZATWIDASH-UHFFFAOYSA-N 282.256 -0.031 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)COc1ccccc1F 8390294 IOJYUHFLCFQFKJ-UHFFFAOYSA-N 297.286 -0.124 50 20 CBGD CCS(=O)(=O)N[C@H](CCSC)C(=O)NN 37389407 FPOODXKJGVPZFI-ZCFIWIBFSA-N 255.365 -0.963 50 20 CBGD CCN(C)S(=O)(=O)NNC(=O)c1cccn1C 72758414 MXHPTOQKPMRVOE-UHFFFAOYSA-N 260.319 -0.544 50 20 CBGD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NNC(=O)C1CCC1 109714866 KQXMWLIFVCYDSL-UHFFFAOYSA-N 294.267 -0.296 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCCCO2)cn1 130021478 ALQNPGFQSJDWMB-SECBINFHSA-N 252.274 -0.250 50 20 CBGD CN[C@H]1CCN(CC(=O)NNC(=O)c2ccccc2)C1 133094324 LQICJMLIANWZNF-LBPRGKRZSA-N 276.340 -0.259 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc([S@](C)=O)cc1 175945755 GRWCUABOQSBJCJ-IBGZPJMESA-N 283.353 -0.253 50 20 CBGD C[C@H](NC(=O)c1cccs1)C(=O)NNC(=O)C(C)(C)O 276321011 WOEKPSLWFITDGW-ZETCQYMHSA-N 299.352 -0.215 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)n1 279716024 BFKSMBHEJXXELV-SFYZADRCSA-N 295.299 -0.730 50 20 CBGD O=C(CN1CCOCC1=O)NNc1nnc(C2CC2)s1 280396668 GSVZFJLXOSYIMQ-UHFFFAOYSA-N 297.340 -0.283 50 20 CBGD CN1C[C@H](C(=O)NNc2ncncc2F)CC1=O 293895103 FJNRKFLMZUBCCB-ZCFIWIBFSA-N 253.237 -0.463 50 20 CBGD CC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccncc1 298799185 JYCYPORYIGNRBK-NSHDSACASA-N 276.296 -0.147 50 20 CBGD COc1nccnc1NNC(=O)[C@@]1(C)CCN(C(C)=O)C1 370382500 TVJFKANJSZWDBL-ZDUSSCGKSA-N 293.327 0.187 50 20 CBGD Cc1nccn1CCCNC(=O)c1ccc(B(O)O)cc1 584933151 WXXOUVQJOPUZQO-UHFFFAOYSA-N 287.128 -0.309 50 20 CBGD C[C@H](CO)CN(C)C(=O)c1ccc(B(O)O)cc1 584968275 VRTIAHHYYOEASL-VIFPVBQESA-N 251.091 -0.933 50 20 CBGD CN(CCN(C)C1CC1)C(=O)c1ccc(B(O)O)cc1 584976639 KGHSZYRMDVODEY-UHFFFAOYSA-N 276.145 -0.467 50 20 CBGD CCO[C@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1 584997684 HEZXNBSTXAODBI-TXEJJXNPSA-N 263.102 -0.336 50 20 CBGD CCNC(=O)C(C)(C)NC(=O)c1ccc(B(O)O)c(F)c1 584997714 IDEVELXFWZFMCJ-UHFFFAOYSA-N 296.107 -0.850 50 20 CBGD CC1(C)CN(CCNCc2ccccc2B(O)O)CCO1 585022228 KVZOUTCZECBWMW-UHFFFAOYSA-N 292.188 -0.433 50 20 CBGD CS[C@@H](CO)[C@@H](C)NCc1ccc(B(O)O)cc1F 585028086 HMANHSAWETWASA-PELKAZGASA-N 287.165 -0.293 50 20 CBGD O=C1NCCCC[C@@H]1NCc1ccccc1B(O)O 585035634 XDUYYMVSCLGGOY-LBPRGKRZSA-N 262.118 -0.875 50 20 CBGD OCCCN1CCC[C@@H](NCc2ccc(B(O)O)cc2)C1 585043440 MPRGKDGGXGCZNI-OAHLLOKOSA-N 292.188 -0.697 50 20 CBGD CCCc1ccc(S(=O)(=O)NCB(O)O)cc1 585054647 ONXHGZDZJNYHEC-UHFFFAOYSA-N 257.120 -0.071 50 20 CBGD COc1ccc(CC(=O)NCB(O)O)cc1OC(F)F 585062823 NPNFDNJGOXMRSJ-UHFFFAOYSA-N 289.043 -0.033 50 20 CBGD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CC[C@@H](B(O)O)C1 585067068 UTQWTDNEPPTCKZ-MRVPVSSYSA-N 280.045 -0.011 50 20 CBGD C[C@H](CS(C)(=O)=O)NC(=O)NNC(=O)C(C)(C)C 733662884 QLCPHYRUNXNCLA-SSDOTTSWSA-N 279.362 -0.204 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)C[C@H]1CCCO1 735646341 PMVHGFPIILYGAT-SSDOTTSWSA-N 251.308 -0.729 50 20 CBGD COc1cc(C)nc(NNC(=O)NC[C@@H]2COCCO2)n1 746754863 DYOVFTPFCKAKCW-SECBINFHSA-N 297.315 -0.165 50 20 CBGD O=C(NNC(=O)C1[C@@H]2CCC[C@@H]12)C(=O)NC1CC1 748839288 YCYYNFWAIOUVGS-HTQZYQBOSA-N 251.286 -0.542 50 20 CBGD C[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)c1cnn(C)c1 749939156 MNYNUNRDCYVCFO-VIFPVBQESA-N 293.327 -0.707 50 20 CBGD CN(C)CCn1ccc(NC(=O)NNC(=O)CN(C)C)n1 763265060 CZHHWFVWAUYLLE-UHFFFAOYSA-N 297.363 -0.841 50 20 CBGD CC(=O)N[C@@H](CC(=O)NNc1c(C)cccc1F)C(N)=O 771713037 DTNNDUIHPPBZOD-JTQLQIEISA-N 296.302 -0.043 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@]1(C)CCOC1 772314754 IEVNBYRMIWVLQC-QPUJVOFHSA-N 272.301 -0.098 50 20 CBGD CCNC(=O)NNC(=O)c1cnc(OCC)cn1 777777760 CPZZWINOYUIHHX-UHFFFAOYSA-N 253.262 -0.161 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ncccc1O 778920201 PZKJHYYFZJCTER-UHFFFAOYSA-N 294.311 -0.147 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CCNC(=O)C1 798305413 ZQUGOCMOBIHESP-SSDOTTSWSA-N 256.331 -0.806 50 20 CBGD COCCCNC(=O)NNC(=O)C[C@@H]1CCCC(=O)N1 813423877 BKNUWTZDNIRJJL-VIFPVBQESA-N 286.332 -0.588 50 20 CBGD C[C@H](O)CN(C)NC(=O)/C=C\CN1CCOCC1 821218090 UQPXFCHAPIZDTF-BYCRGOAPSA-N 257.334 -0.781 50 20 CBGD CCOC(=O)NCCCC(=O)NN(CC)CCO 823869879 RHPHVESNCDCYTR-UHFFFAOYSA-N 261.322 -0.142 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1CCc2cncn2C1 824627807 XJHQPFIEBUDMIL-QMMMGPOBSA-N 251.290 -0.252 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCC(=O)NC1CC1 825610759 KKWMDEKTEOJUOW-VXNVDRBHSA-N 284.316 -0.980 50 20 CBGD CN1CCN(C(=O)NNC(=O)CC2(O)CCC2)CC1 830240577 CQFHCTZTLIHLAT-UHFFFAOYSA-N 270.333 -0.720 50 20 CBGD Cc1noc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1 831620367 ANDSPIWTDSXXNI-IYSWYEEDSA-N 269.261 -0.044 50 20 CBGD C=C[C@@H](C)ONC(=O)NNC(=O)[C@H](C)OCCOC 845630540 RXCRGESHLALYOD-BDAKNGLRSA-N 275.305 -0.126 50 20 CBGD N#Cc1ccc(NNC(=O)C2(S(N)(=O)=O)CC2)cc1 845854542 GIYGBONWTWOZGV-UHFFFAOYSA-N 280.309 -0.178 50 20 CBGD CC(C)C(=O)NNC(=O)CN(C)Cc1nnc(O)o1 852187097 MUOJICZPYKKWQO-UHFFFAOYSA-N 271.277 -0.990 50 20 CBGD CC[C@@H](COC)NC(=O)NNC(=O)c1cn[nH]c1 858240129 BLKJDZUCKVHMQX-QMMMGPOBSA-N 255.278 -0.221 50 20 CBGD CN1C(=O)CN(CC(=O)NNc2ncc(Cl)cn2)C1=O 862257981 JROXDGHJRLOPCJ-UHFFFAOYSA-N 298.690 -0.533 50 20 CBGD C[C@@H](C(=O)NN[C@H](C)C(F)(F)F)S(C)(=O)=O 862308939 HDITZNZFUDMMTO-CRCLSJGQSA-N 262.253 -0.009 50 20 CBGD CCC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cnn(C)c1 863148836 LEGTXBQBNGYXQU-JTQLQIEISA-N 263.301 -0.071 50 20 CBGD CC1(C)COC(=O)[C@@H]1NC(=O)c1cccc(B(O)O)c1 863882457 HTCPDZMEILCTFT-JTQLQIEISA-N 277.085 -0.952 50 20 CBGD COCCOCC(=O)NNC(=O)C1SCCS1 869907786 DSBXEWYQMDBYJR-UHFFFAOYSA-N 280.371 -0.397 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H](C)OCC1CC1 869909021 FTGYVFBPOSGXTI-SECBINFHSA-N 274.317 -0.388 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@]1(C)CCNC1=O 887151837 MBKCDDWVWAJBAZ-GFCCVEGCSA-N 251.286 -0.537 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCCCS1(=O)=O 910151234 AVJJLACASGZMGS-IUCAKERBSA-N 264.347 -0.703 50 20 CBGD NC(=O)C(=O)NN=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 920358799 LAYAPAYUVBIQHW-UHFFFAOYSA-N 294.223 -0.699 50 20 CBGD C[C@H](CNC(=O)NNC(=O)C1CCC1)N1CCN(C)CC1 1123787281 FTZGETFBPAQWEN-LLVKDONJSA-N 297.403 -0.247 50 20 CBGD Cc1nn(C)c(C(=O)NNC(=O)NC2CC2)c1[N+](=O)[O-] 1317991340 DIMJAOGFUIKAPR-UHFFFAOYSA-N 282.260 -0.257 50 20 CBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1[C@@H]2CCC[C@@H]12 1318947918 CQZWEWSQHBYDBV-IWSPIJDZSA-N 286.353 -0.385 50 20 CBGD Cc1cnn(C)c1S(=O)(=O)NNC(=O)c1ccccn1 1321873450 RNLWBSPHPMDKNT-UHFFFAOYSA-N 295.324 -0.253 50 20 CBGD Cn1cc(/C=C(\C#N)S(=O)(=O)NC2CC2)nn1 1322458380 AEWPPNLDSIOTIH-RUDMXATFSA-N 253.287 -0.239 50 20 CBGD CCCCN(C)C[C@H](C)NC(=O)NNC(=O)C(=O)OC 1324690768 QBTSAHAGJDGKQN-VIFPVBQESA-N 288.348 -0.390 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ccncn1 1326647994 MVNUEJAFZXCJJN-MWLCHTKSSA-N 278.312 -0.018 50 20 CBGD COCc1nn(C)cc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1326678161 UOJGCLZKYDRGRG-RKDXNWHRSA-N 296.327 -0.248 50 20 CBGD O=C(CCNc1ccccc1)NNC(=O)[C@@H]1CCC(=O)N1 1331803909 PWAOXIOZMHROKN-NSHDSACASA-N 290.323 -0.085 50 20 CBGD CN1C(=O)CS/C1=C/C(=O)NNc1cnnn1C 1333798563 PCZPKKMNEGYQRJ-YCRREMRBSA-N 268.302 -0.695 50 20 CBGD COCC#CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1334407417 DAJPPKAUVGUAQZ-JTQLQIEISA-N 274.342 -0.872 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(S(C)(=O)=O)o1 1338976164 IWKDZOBETHBBBY-UHFFFAOYSA-N 275.286 -0.353 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1c(Br)nnn1C 1348956177 TZRRKFFHYFPFNB-RXMQYKEDSA-N 292.137 -0.465 50 20 CBGD Cc1ccc(NC(=S)NNC(=O)[C@H](N)CO)c(C)c1 1574156375 FHUGKTFOILRQLG-SECBINFHSA-N 282.369 -0.059 50 20 CBGD C[C@](C#N)(CC(=O)O)C(=O)NNC(=O)c1cccc(F)n1 1588542246 UMHLIGXAWLCICA-GFCCVEGCSA-N 294.242 -0.014 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CC=CC1)c1cn[nH]c1 1594779880 YTFNNRAKVMULBM-UHFFFAOYSA-N 264.241 -0.408 50 20 CBGD Cc1cc(C(=O)O)oc1C(=O)NNC(=O)[C@H]1COCCO1 1600133525 IVWSCHCHBWYJFW-MRVPVSSYSA-N 298.251 -0.537 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cc(C(=O)O)nn1C 1603268875 OSPLUMGHVJYHQX-ZCFIWIBFSA-N 256.262 -0.924 50 20 CBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)C(=O)O)CN1C1CC1 1609843094 AHWCRKBZFXJVMR-NKWVEPMBSA-N 270.289 -0.973 50 20 CBGD CN(C)C1(CNC(=O)NNC(=O)C(=O)O)CCCC1 1610097097 AZAZMUYRSSNXQB-UHFFFAOYSA-N 272.305 -0.724 50 20 CBGD CC(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13629313 AKNAUOYEJIFSEB-SECBINFHSA-N 265.269 -0.205 50 20 CBGD COc1ccnc(NNC(=O)CCn2cncn2)n1 46365177 GCUCTUCVXNKXKD-UHFFFAOYSA-N 263.261 -0.390 50 20 CBGD C#CCOCCC(=O)NNc1ncnc2nc[nH]c12 131942569 HAQYRWDKAFHPPL-UHFFFAOYSA-N 260.257 -0.164 50 20 CBGD O=C(CN1CCOC[C@H]1CO)NNC(=O)c1ccccc1 168840377 VXVLXUCZOSCIAB-GFCCVEGCSA-N 293.323 -0.859 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H](C)N2CCN(C)CC2)o1 267889530 YEXAKVXLAJPRNE-LLVKDONJSA-N 294.355 -0.015 50 20 CBGD CCOC(=O)c1cnn2c(C(=O)NNC(C)=O)ccnc12 270575762 DBDUGWREIJVLFZ-UHFFFAOYSA-N 291.267 -0.313 50 20 CBGD COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)C(C)(C)O)c1C 277926409 JGVJDQLIUKHKDC-UHFFFAOYSA-N 297.311 -0.050 50 20 CBGD CNC(=O)NCCC(=O)NNc1cccc(F)n1 293684046 PYDUJDIHBIJDST-UHFFFAOYSA-N 255.253 -0.017 50 20 CBGD C/C=C/C=C\C(=O)NNC(=O)C(=O)N1CCCC1 491369236 UVVCAFVHHGNRPP-SWBALALESA-N 251.286 -0.112 50 20 CBGD COc1ccnc(NNC(=O)[C@H]2NC(=O)O[C@H]2C)n1 496633199 PGASETZQNYIUIF-FSPLSTOPSA-N 267.245 -0.575 50 20 CBGD C=CCN1CCC(NC(=O)c2cccc(B(O)O)c2)CC1 584942896 ZFGVEFYDTIMRGB-UHFFFAOYSA-N 288.156 -0.253 50 20 CBGD COC[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584945999 OCMGLLBAQCMDTO-NSHDSACASA-N 277.129 -0.135 50 20 CBGD C[C@H](CNC(=O)c1ccc(B(O)O)cc1)C[C@@H](C)O 584948579 DIGKRMCOMBLYGK-VHSXEESVSA-N 265.118 -0.497 50 20 CBGD C[C@@]1(CO)CCC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584962354 MFZUBAZCCWYDIN-OCCSQVGLSA-N 295.119 -0.214 50 20 CBGD CO[C@H]1C[C@@H](N(C)C(=O)c2ccc(B(O)O)c(F)c2)C1 584988328 KZOWUVNUFNXVSG-AOOOYVTPSA-N 281.092 -0.245 50 20 CBGD CC(C)N1C[C@@H](NCc2ccc(B(O)O)cc2F)CC1=O 585028289 IURLOXVJFGRJBS-LBPRGKRZSA-N 294.135 -0.396 50 20 CBGD CCNC(=O)CCc1nc(-c2ccc(B(O)O)cc2)no1 585050987 RABHGMIYAUBQEG-UHFFFAOYSA-N 289.100 -0.515 50 20 CBGD Cc1c(C(=O)NCB(O)O)nnn1-c1ccccc1 585063066 YVPWJRXXZYZICS-UHFFFAOYSA-N 260.062 -0.682 50 20 CBGD CNC(=O)CCN(C)[C@@H](C)C(=O)NNC(=O)CC(C)C 732199322 KDGHWGARPUMPSY-JTQLQIEISA-N 286.376 -0.364 50 20 CBGD O=C(NC[C@@H]1COCCO1)NNC(=O)C1CCC1 732242405 XUEZUCLRIINRMW-SECBINFHSA-N 257.290 -0.468 50 20 CBGD CS(=O)(=O)N1CCCC[C@@H]1C(=O)NNc1cnccn1 734244198 URUDEXNABUWPQQ-SECBINFHSA-N 299.356 -0.266 50 20 CBGD Cn1cc(C(=O)NNC(=O)OC(C)(C)C)c(=O)n(C)c1=O 735028398 LTXHFNHEJLPJHO-UHFFFAOYSA-N 298.299 -0.747 50 20 CBGD Cc1cc2ncc(C(=O)NNC(=O)CO)c(C)n2n1 753437238 GRTAIMZMQQOQPI-UHFFFAOYSA-N 263.257 -0.901 50 20 CBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)C2CC2)cs1 761626872 NFTKXOMQMLSNBG-UHFFFAOYSA-N 289.338 -0.434 50 20 CBGD C[C@@H](CCS(C)(=O)=O)NC(=O)NNC(=O)C1CCC1 762093998 IBLKKKKGYBTMGB-QMMMGPOBSA-N 291.373 -0.060 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1OC 764304363 YWNHRENRHQLNEK-UHFFFAOYSA-N 299.258 -0.433 50 20 CBGD CC(=O)c1c[nH]c(C(=O)NNC(=O)C(C)(C)O)c1 768244975 PXXHXPOOQOVZEH-UHFFFAOYSA-N 253.258 -0.251 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H](NS(C)(=O)=O)C(C)C 768411916 COXQPIQOZXKCHE-MRVPVSSYSA-N 294.377 -0.747 50 20 CBGD O=C1CNC(=O)N1CCNS(=O)(=O)CCCCCl 780777611 SCXMDYAQZPKRKY-UHFFFAOYSA-N 297.764 -0.523 50 20 CBGD Cn1ccc(CC(=O)NNC(=O)NCC2CC2)n1 782591992 FFPAKLTWQJOQRX-UHFFFAOYSA-N 251.290 -0.297 50 20 CBGD CC[C@@H]1CC[C@H](C(=O)NNC(=O)N2CCN(C)CC2)O1 788165639 FFDGILKRBXOIEV-GHMZBOCLSA-N 284.360 -0.068 50 20 CBGD COC(=O)CNC(=O)NN=Cc1ncc(Cl)n1C 799484640 HMGZKVHLYGJBTJ-UHFFFAOYSA-N 273.680 -0.120 50 20 CBGD CC[C@@H](CO)C(=O)NNC(=O)N=c1cc[nH]cc1 802036608 XNHDGHNXPRTQIF-QMMMGPOBSA-N 252.274 -0.325 50 20 CBGD Cn1[nH]cc2c(=NC(=O)NNC(=O)C3CC3)ccnc1-2 806490134 OKIOQUWURZJQTD-UHFFFAOYSA-N 274.284 -0.096 50 20 CBGD Cn1ncc(C=NNC(=O)CNC(=O)c2ccco2)n1 814826795 HQMHVBHLCSKAOZ-UHFFFAOYSA-N 276.256 -0.712 50 20 CBGD CC(=O)N[C@H](CC(C)C)C(=O)NN(C)[C@H](C)CO 823907077 HMGMHUHDWOLKSN-MWLCHTKSSA-N 259.350 -0.119 50 20 CBGD C[C@@H](CO)N(C)NC(=O)C1(C(=O)NC2CC2)CC1 823965225 KTPADLRYTOGQAN-QMMMGPOBSA-N 255.318 -0.611 50 20 CBGD C[C@H](CO)N(C)NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 823993590 SZLGPPZZKGYJRV-VWYCJHECSA-N 297.355 -0.495 50 20 CBGD CC(=O)Nc1cc(S(=O)(=O)NNC(=O)O)ccc1O 825890504 ONPWUWBLRKGAIL-UHFFFAOYSA-N 289.269 -0.189 50 20 CBGD CC(=O)N[C@@H]1CCN(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1 827261005 YKLISESZMFHUPK-IEBDPFPHSA-N 298.343 -0.637 50 20 CBGD CCOC(=O)c1cc(C=NNC(=O)C(=O)NC(C)C)[nH]n1 842524359 APJBEKOZKPLCGT-UHFFFAOYSA-N 295.299 -0.439 50 20 CBGD COC(=O)C[C@H](C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843652432 JIFVRHAEZBCBJK-DJLDLDEBSA-N 272.301 -0.242 50 20 CBGD N#CSCCCNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 854360376 NEEJRUSZFGKOFI-OPRDCNLKSA-N 272.326 -0.880 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@@H]1CC[C@@H]1C(N)=O)C1CC1 855097869 ZCMWGLOXTRHHQZ-CNUIFLNQSA-N 284.385 -0.208 50 20 CBGD COC1([C@H](C)NC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCC1 858543029 PFFFVBMZNWMAEN-DTWKUNHWSA-N 298.343 -0.447 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@@]12CCOC2)c1cn[nH]c1 862470405 DETUIXWYYRYROR-GZMMTYOYSA-N 250.258 -0.403 50 20 CBGD C[C@H](C(=O)NNC(=O)c1cn[nH]c1)N1CCSCC1 862472944 XWQCQGBVZKBJAH-MRVPVSSYSA-N 283.357 -0.392 50 20 CBGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)c1cn[nH]c1 862474499 MNNHNAJQSBRTBU-UHFFFAOYSA-N 288.329 -0.759 50 20 CBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1cc(C(N)=O)n(C)c1 863145863 QRSQJPGLYXRRBZ-SECBINFHSA-N 291.311 -0.757 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C1CC2(CCC2)C1 863466932 HTOVIJYCTCGHQJ-UHFFFAOYSA-N 274.342 -0.241 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cccnn2)CC1(C)C 883853961 URTZQYFUUHNKQC-UHFFFAOYSA-N 292.343 -0.143 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)CCS(C)(=O)=O 899992092 MQFINXQEJQXTKR-UHFFFAOYSA-N 281.403 -0.285 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCN2CCCC[C@H]12 1116181819 JEVJIXIFICCUIC-DTWKUNHWSA-N 284.316 -0.883 50 20 CBGD O=C(NN=Cc1cc[nH]n1)N[C@@H]1CCS(=O)(=O)C1 1116379779 CEXDONMVQACXKC-MRVPVSSYSA-N 271.302 -0.770 50 20 CBGD CCNC(=O)NNC(=O)c1cnc(N(C)C)cn1 1116511621 JZBHHOZRTGYFIB-UHFFFAOYSA-N 252.278 -0.494 50 20 CBGD CNC(=O)CCCNC(=O)NNC(=O)c1cccc(C)n1 1116862977 LMKGPVWGTCWOAN-UHFFFAOYSA-N 293.327 -0.140 50 20 CBGD Cc1nnc(CC(=O)NNC(=O)c2cccn2C)o1 1117664953 RLBZBJSDBNWVTJ-UHFFFAOYSA-N 263.257 -0.280 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@H]1CCCCO1)[C@H]1CCC(=O)N1 1118933884 KUYINWWXKQFWBB-IVZWLZJFSA-N 283.328 -0.382 50 20 CBGD CCn1cc(C=NNC(=O)CS(C)(=O)=O)c(C)n1 1120343947 JMJDDZFEBXDGIN-UHFFFAOYSA-N 272.330 -0.294 50 20 CBGD COC1CCN(C(=O)NNC(=O)c2cn[nH]c2)CC1 1263068789 XVKYZVRHYJPPKN-UHFFFAOYSA-N 267.289 -0.125 50 20 CBGD Nc1ncccc1C=NNC(=O)[C@H]1CCS(=O)(=O)C1 1323965261 XSGVIHOIHCGBTR-VIFPVBQESA-N 282.325 -0.451 50 20 CBGD N#Cc1ccc(NNC(=O)CC[C@H]2NC(=O)NC2=O)cc1 1324271071 VDKBCJIBKVRQFO-SNVBAGLBSA-N 287.279 -0.010 50 20 CBGD Cn1nncc1NNC(=O)c1ccc2c(c1)nnn2C 1324569115 WTNRXBJDRWZFIU-UHFFFAOYSA-N 272.272 -0.146 50 20 CBGD Cn1nncc1C(=O)NNc1ccccc1S(C)(=O)=O 1326996215 IPOQIRLWCNZPRW-UHFFFAOYSA-N 295.324 -0.025 50 20 CBGD COCCCNC(=O)NNC(=O)Cc1n[nH]c(C)n1 1330787515 SFYQUNJXUOBUMG-UHFFFAOYSA-N 270.293 -0.977 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@H]2CCC(F)(F)C2)N1 1331298463 VLDXYFXJLQVQHI-BQBZGAKWSA-N 290.270 -0.217 50 20 CBGD C[C@H](C(=O)NNC(=O)CS(C)(=O)=O)c1ccco1 1331834209 PELAPCJEBIOUAL-ZETCQYMHSA-N 274.298 -0.425 50 20 CBGD CN(NC(=O)c1nccs1)C(=O)N1CCNCC1 1334839146 CRRWSEXPKICWSY-UHFFFAOYSA-N 269.330 -0.255 50 20 CBGD COC(=O)CN(CC(=O)NNC(=O)C(C)C)CC(C)C 1347827456 PUHZIFPPXGJOEA-UHFFFAOYSA-N 287.360 -0.079 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@@H]1CCN1)C(=O)OC(C)(C)C 1575068512 CVFWXIRPEQNRPV-SFYZADRCSA-N 271.317 -0.527 50 20 CBGD CS[C@H]1CC[C@H](NC(=O)NNC(=O)C(=O)O)C1 1599788431 VFQILJIMBQYZKG-WDSKDSINSA-N 261.303 -0.315 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)N2CC[C@](O)(C(=O)O)C2)cn1 1600944971 CRTBOZLMNODLME-JTMRULEUSA-N 290.279 -0.625 50 20 CBGD CNC(=O)NNC(=O)c1sccc1-n1cnnn1 48950667 JTHDQDMXKRSQHC-UHFFFAOYSA-N 267.274 -0.702 50 20 CBGD CNC(=O)NNC(=O)c1ccc(OC)c(OCCO)c1 57292333 ZLXYSSFCZKEVGG-UHFFFAOYSA-N 283.284 -0.360 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ncccc1O 121092825 ZPTYVFYAUHLNTD-UHFFFAOYSA-N 261.241 -0.486 50 20 CBGD CCNC(=O)CCCC(=O)NNC(=O)N1CCOCC1 264761934 LNGJNWJANQQQGA-UHFFFAOYSA-N 286.332 -0.634 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCc2cncn2C)[nH]n1 281052908 BSPXADZWZAPPOT-UHFFFAOYSA-N 276.300 -0.155 50 20 CBGD CCn1cc(CN(C)C(=O)c2ccc(B(O)O)cc2)cn1 584947167 HVXCDEUOCYBPOU-UHFFFAOYSA-N 287.128 -0.145 50 20 CBGD O=C(NC[C@H]1CCC[C@H](O)C1)c1cccc(B(O)O)c1 584948462 CMLYNXNQNVAWKQ-GWCFXTLKSA-N 277.129 -0.353 50 20 CBGD C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(B(O)O)cc1 584951401 QAIUKMZMAWHUDB-BXUZGUMPSA-N 290.172 -0.221 50 20 CBGD CC[C@](C)(O)CNC(=O)c1ccc(B(O)O)cc1 584954519 LWEIDSVVTSUWCA-LBPRGKRZSA-N 251.091 -0.743 50 20 CBGD OB(O)c1cccc(CNC[C@H]2CN3CCC[C@@H]3CO2)c1 585022551 QDFBHMGSZXWVEA-CABCVRRESA-N 290.172 -0.681 50 20 CBGD Cc1ccc(CN2C[C@@H](C(=O)NCB(O)O)CC2=O)cc1 585056049 JABZKXHOJHWYPP-LBPRGKRZSA-N 290.128 -0.528 50 20 CBGD O=C(Cn1cc(C2CC2)cn1)N1CC[C@H](B(O)O)C1 585066839 NOIGCVHQXFPORS-NSHDSACASA-N 263.106 -0.164 50 20 CBGD CCOCCO[C@@H](C)C(=O)NNC(=O)Cc1cc[nH]n1 730091514 DWWCGKWRIDEYNP-VIFPVBQESA-N 284.316 -0.459 50 20 CBGD O=C(NNC(=O)[C@H]1CC(=O)N(C2CC2)C1)C1CCC1 732142351 XGZYDLWMEYZPFU-VIFPVBQESA-N 265.313 -0.055 50 20 CBGD CCOCCCNC(=S)NNC(=O)c1cnn(C)c1 735416776 HEMRDEGRVJTNBT-UHFFFAOYSA-N 285.373 -0.044 50 20 CBGD CC(C)C(=O)NNC(=O)NC[C@@H](C)CN1CCOCC1 739060169 XVIVOMKYRAVMQV-LLVKDONJSA-N 286.376 -0.059 50 20 CBGD CCOCC(=O)NNC(=O)NCC(C)(C)S(C)(=O)=O 748966704 MXPFCFYCICGMME-UHFFFAOYSA-N 295.361 -0.824 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H]1CCOC1 752707137 VJZJJSFDFPEFJD-IUCAKERBSA-N 275.305 -0.843 50 20 CBGD NC(=O)c1ccc(CNC(=O)NNc2cccnn2)cn1 753953337 JKPBLSSMIFRXOT-UHFFFAOYSA-N 287.283 -0.203 50 20 CBGD CCc1nnc(NC(=O)NNC(=O)COC)s1 755404272 DYNCVROLHSVMAN-UHFFFAOYSA-N 259.291 -0.100 50 20 CBGD Cn1[nH]cnc1=NC(=O)NNC(=O)c1ccccc1F 757763193 ZDKKZQFDBSGORZ-UHFFFAOYSA-N 278.247 -0.157 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cc(C)cc(F)c1 764303861 PZZXTTRNDZEDHZ-UHFFFAOYSA-N 283.259 -0.134 50 20 CBGD COCCn1cc(C(=O)NNC(=O)C(C)(C)O)ccc1=O 768243905 KHJUKVORDOKANP-UHFFFAOYSA-N 297.311 -0.973 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H](C)N1C(=O)CCC1=O 768409263 HAIXZOZOSLWATM-ZETCQYMHSA-N 270.289 -0.784 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@](C)(O)C(C)C 772367030 UMTYLJYSWGIYDA-UFBFGSQYSA-N 274.317 -0.118 50 20 CBGD CN(NC(=O)c1ccc2nnc(S)n2c1)C(N)=O 774092053 LVTIPEKHGRRKSK-UHFFFAOYSA-N 266.286 -0.327 50 20 CBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NN(C)C(N)=O)C1 778417554 VQDRKCIJQWVPOC-QMMMGPOBSA-N 292.361 -0.910 50 20 CBGD COc1cncc(C(=O)NNC(=O)NC2CC2)n1 790510186 XGNMWITXVZJSFT-UHFFFAOYSA-N 251.246 -0.408 50 20 CBGD CS(=O)(=O)CCCC(=O)NNc1nc2ccccn2n1 791261293 CCUXNJLBXXHCNA-UHFFFAOYSA-N 297.340 -0.003 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H](C)N1CCN(C)CC1 798306554 LTPNAQRXKVUTHE-JTQLQIEISA-N 285.417 -0.696 50 20 CBGD COc1cnc2ccccc2c1C(=O)NNC(=O)CO 802573443 CWRFAKMUGNTVKG-UHFFFAOYSA-N 275.264 -0.003 50 20 CBGD Cn1c(=O)ccn(CC(=O)NNc2ncccc2F)c1=O 804216621 MAQVRLUFXHMJBI-UHFFFAOYSA-N 293.258 -0.776 50 20 CBGD COC(=O)C[C@@H](C)CC(=O)NNc1nccn(C)c1=O 809706026 INUDXCIAIJRLGZ-QMMMGPOBSA-N 282.300 -0.187 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CC(c2cccnc2)=NO1 823879621 PVNFOGVYQMPPKD-GFCCVEGCSA-N 278.312 -0.080 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CNC(=O)c1ccccc1 823993078 KKTUFULEQKQMMR-JTQLQIEISA-N 265.313 -0.240 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccn(C)n1 831401464 VFQGLMXQLUCMSP-SFYZADRCSA-N 267.289 -0.002 50 20 CBGD CC(C)OCCS(=O)(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 842591374 BYZYYDWJCCORJD-NXEZZACHSA-N 294.373 -0.213 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCCC(=O)N1 843972913 WGOMVBWYYHESIZ-IWSPIJDZSA-N 269.301 -0.773 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCN1CCCC1=O 845482966 KFGROUQJSLEVDI-VHSXEESVSA-N 298.343 -0.636 50 20 CBGD COC(=O)C[C@@H](C)CC(=O)NNC(=O)C(=O)NC(C)C 847298908 RVAFFAPZSQYVLA-QMMMGPOBSA-N 287.316 -0.752 50 20 CBGD CCOCCNC(=S)NNC(=O)c1cc[nH]n1 849276538 KJXTVTPTGUNDPD-UHFFFAOYSA-N 257.319 -0.445 50 20 CBGD CCOC(=O)NNC(=O)Cc1nnn(C(C)(C)C)n1 854163554 ZMMKNZAZPVHWEE-UHFFFAOYSA-N 270.293 -0.252 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCNC2=O)cc1 854211615 NAVUFFFXFGEQSU-LLVKDONJSA-N 291.307 -0.343 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2csc(O)n2)CC1 854378738 AFCZLIUYVVAFFR-UHFFFAOYSA-N 285.329 -0.550 50 20 CBGD CCC1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 858272273 SMURWVOEPLIHAS-QMMMGPOBSA-N 268.317 -0.214 50 20 CBGD CCc1onc(C)c1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 860832821 DTFAOLWKRBTHQG-SSDOTTSWSA-N 295.299 -0.023 50 20 CBGD COC1CC(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)C1 861767258 OUMGBMKLGHUYRO-YVNMAJEFSA-N 290.385 -0.096 50 20 CBGD CC(=O)N[C@@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)C(C)C 862094127 GJIMDALYXUDUCU-JMJZKYOTSA-N 285.344 -0.281 50 20 CBGD CCN1CCCC[C@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862453824 ZKICKKZNAMRYOW-UWVGGRQHSA-N 282.344 -0.713 50 20 CBGD C[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)C(F)(F)F 862455279 DYBNFMBWQOYRHO-CRCLSJGQSA-N 267.207 -0.389 50 20 CBGD COCC1(C(=O)NNC(=O)c2cn[nH]c2)CCOCC1 862470938 YRDNVHHTWBQFGV-UHFFFAOYSA-N 282.300 -0.386 50 20 CBGD COC(=O)COCC(=O)NNCC(F)(F)C(F)(F)F 863099267 JOCJSUCBPNRVJY-UHFFFAOYSA-N 294.176 -0.006 50 20 CBGD COC(=O)N1CCC(NCc2cccc(B(O)O)c2)CC1 863889063 POUUMZRRNXPPAR-UHFFFAOYSA-N 292.144 -0.313 50 20 CBGD C#CCSCC(=O)NNC(=O)c1cnn(C)c1 889041508 GGRSTTSKCZNDIU-UHFFFAOYSA-N 252.299 -0.453 50 20 CBGD CC(C)N1CCC[C@H]1C(=O)NNC(=O)CN(C)C 894134071 HVNKYCULSJOGRS-JTQLQIEISA-N 256.350 -0.432 50 20 CBGD CC(C)c1nccn1CC(=O)NNC(=O)CN(C)C 896128716 MBJCNSMEJCLWDW-UHFFFAOYSA-N 267.333 -0.285 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)n1 905161519 XFZUVVWHOFWQHB-JIMOISOXSA-N 290.323 -0.128 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H](C)[C@@H](C)S(C)(=O)=O 910152771 NZIGKVQKUIDGFE-DJLDLDEBSA-N 266.363 -0.601 50 20 CBGD C[C@@H](O)CN(C)NC(=O)Cn1nnc(-c2ccccc2)n1 910174538 VIBLQFJWBBRULG-SNVBAGLBSA-N 290.327 -0.316 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCCC(=O)N1C 911502908 MZGYYDXDSNYIBA-IVZWLZJFSA-N 283.328 -0.430 50 20 CBGD CC[C@@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)N(C)C 911505120 RILPCVHFRWVXHX-AEJSXWLSSA-N 257.334 -0.101 50 20 CBGD CCn1cnc(C(=O)NNC(=O)CN2CCCC2=O)c1 913734039 FUDOXVHOTIWVMV-UHFFFAOYSA-N 279.300 -0.714 50 20 CBGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(N)=O)c1 917358701 NFKLJFUDGQAMKX-UHFFFAOYSA-N 265.269 -0.685 50 20 CBGD C=CCNC(=S)NNC(=O)CCCN1C(=O)CCC1=O 920431325 XRBBYQLJPZJCEO-UHFFFAOYSA-N 298.368 -0.403 50 20 CBGD NC(=O)c1cc(C(=O)NNc2ncc(F)cn2)c[nH]1 1116397108 AKEYNBQVPNSFBK-UHFFFAOYSA-N 264.220 -0.200 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1c2c(nn1C)CCC2 1116596462 UFLPLFJFPAGYAB-UHFFFAOYSA-N 279.300 -0.595 50 20 CBGD O=C(NNC(=O)C1CCC1)C(=O)Nc1cccnc1 1116600006 MPZKXMQCPRBWTE-UHFFFAOYSA-N 262.269 -0.032 50 20 CBGD C[C@@]1(NNC(=O)NCCC#N)CCS(=O)(=O)C1 1116830281 SYUSYNHHUBZTJK-SECBINFHSA-N 260.319 -0.719 50 20 CBGD NC(=O)NC1(C(=O)NNC(=O)OCC(F)(F)F)CC1 1118790997 SOXGKDWLEBFJCU-UHFFFAOYSA-N 284.194 -0.493 50 20 CBGD O=C(NNC(=O)C12CCCN1CCC2)c1cn[nH]c1 1118942647 GIFCZVWBWBKWAY-UHFFFAOYSA-N 263.301 -0.201 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H](CC(C)C)C(=O)O 1261435123 JYTNVUQRTYPSMZ-ZETCQYMHSA-N 289.288 -0.763 50 20 CBGD C[C@@H](NC(=O)NNC(=O)c1cccc(F)n1)C(=O)N(C)C 1327633720 YXQPZNCUQKHMOR-SSDOTTSWSA-N 297.290 -0.359 50 20 CBGD CN(C)Cc1cc(C(=O)NNC(=O)C2CCOCC2)no1 1333148727 GWBSULYGNDGDGB-UHFFFAOYSA-N 296.327 -0.076 50 20 CBGD CNC(=S)N(C)NC(=O)CSc1n[nH]c(O)n1 1334441291 SVLUTINHAFYKTB-UHFFFAOYSA-N 276.347 -0.930 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCCN1C(=O)C1CC1 1334997151 NFNBZRCWALJGCA-ONGXEEELSA-N 269.345 -0.269 50 20 CBGD Cn1cc(C(=O)NNc2ccnc(F)c2)c(O)nc1=O 1342048185 DCIPCPXTMFITEK-UHFFFAOYSA-N 279.231 -0.223 50 20 CBGD Cc1cccnc1NNC(=O)CN1C(=O)CCC1=O 1348390367 AYWLPHIUQDEVKE-UHFFFAOYSA-N 262.269 -0.018 50 20 CBGD CCOC(=O)[C@H](NC(=O)c1ccc(B(O)O)cc1)C1CC1 1351703666 FJZRFUVPTWAUHP-GFCCVEGCSA-N 291.112 -0.562 50 20 CBGD O=C(NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)c1ccncc1 1353254305 LLJCOSQDNJBZKA-SDDRHHMPSA-N 291.307 -0.106 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccns1 1353767085 SZVPUPGXIHURDF-UHFFFAOYSA-N 259.287 -0.433 50 20 CBGD CC(C)Oc1ccc(C(=O)NNC(=O)[C@@H]2CCN2)cn1 1575806996 DBCIPIJCYFLRQD-JTQLQIEISA-N 278.312 -0.008 50 20 CBGD C[C@@H](CCCN)NC(=O)NNC(=O)c1cnsn1 1575951386 ALKRISJBTSIHAS-LURJTMIESA-N 272.334 -0.391 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@@H](C)[C@H](C(=O)O)C1 1588799503 MCZJSTDJOHKMAU-NXEZZACHSA-N 285.344 -0.168 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CC[C@@H]1C[C@H](C(=O)O)CO1 1593457054 OSOJQEODZCSNEL-KXUCPTDWSA-N 274.317 -0.400 50 20 CBGD COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1COC(=O)N1 1599377376 WDPOCOKVYOBPTN-QMMMGPOBSA-N 295.251 -0.055 50 20 CBGD O=C(O)CCCNC(=S)NNC(=O)[C@@H]1CCCCO1 1601994134 ZMPBZOOFJVUWCI-QMMMGPOBSA-N 289.357 -0.084 50 20 CBGD COc1ccc(C(=O)NNC(=O)CC(=O)O)cc1OC 1607206529 ZRTQDINDMRAWDR-UHFFFAOYSA-N 282.252 -0.061 50 20 CBGD O=C(CN1CCCCC[C@@H]1C(=O)O)NNC(=O)C1CC1 1608330943 IJENOYVGDHHEGA-SNVBAGLBSA-N 283.328 -0.127 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1 1609681266 WSSAYGLYBZTRJY-SFYZADRCSA-N 272.301 -0.204 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)NCCNS(C)(=O)=O 45588937 NXQYLVQOASSJIG-UHFFFAOYSA-N 296.349 -0.726 50 20 CBGD COCC(=O)NNC(=O)COCc1ccccc1 78193156 UXHQQNVWWYKHTG-UHFFFAOYSA-N 252.270 -0.003 50 20 CBGD Cc1cccc(NC(=O)C(=O)NNC(=O)CN(C)C)c1 126411595 CMULQKRHKPVDFF-UHFFFAOYSA-N 278.312 -0.357 50 20 CBGD NC(=O)C1CCN(S(=O)(=O)CBr)CC1 126620158 ZGWIUCQUGCNJQW-UHFFFAOYSA-N 285.163 -0.134 50 20 CBGD NC(=O)c1ccc(NNC(=O)NCC(F)(F)F)nn1 133980063 YIKOCONEUUCZKF-UHFFFAOYSA-N 278.194 -0.236 50 20 CBGD O=C(NNC(=O)[C@@H]1[C@H]2CCC[C@H]21)C(=O)N1CCCC1 248345118 MKDVIEUVJZZZJC-MYJAWHEDSA-N 265.313 -0.198 50 20 CBGD COC(=O)C[C@H](C)C(=O)NNC(=O)Cn1nc(C)cc1C 268138013 HCFZSTKVLIPRNG-QMMMGPOBSA-N 296.327 -0.153 50 20 CBGD C=CCCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 273543041 XHPOXBDMMLVFHW-ZETCQYMHSA-N 263.319 -0.962 50 20 CBGD CC(C)(O)C(=O)NNC(=O)Cn1cnc2ccccc21 277053510 IGRDONFEAYODIX-UHFFFAOYSA-N 276.296 -0.045 50 20 CBGD C#CCN(C)CC(=O)NNC(=O)c1ccc(C#N)cc1 491340320 XAIDMEDTJSJOMB-UHFFFAOYSA-N 270.292 -0.116 50 20 CBGD COC(=O)NCc1ccc(NC(=O)NNC(=O)CO)cc1 495064113 DOXHKGUEXRZRBQ-UHFFFAOYSA-N 296.283 -0.312 50 20 CBGD CO[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584959792 GMJYQOGZUVPYLZ-SECBINFHSA-N 267.065 -0.634 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@H]1CO 584967827 NGDWJJIUIUGPHT-VIFPVBQESA-N 267.065 -0.898 50 20 CBGD CC(C)[C@@H](NCc1ccc(B(O)O)o1)C(=O)N(C)C 585018657 NYAMKLQZYIPBEJ-LLVKDONJSA-N 268.122 -0.838 50 20 CBGD CC(C)[C@@H](CO)CNCc1ccccc1B(O)O 585040717 QBCWKNNKGDKBSL-GFCCVEGCSA-N 251.135 -0.280 50 20 CBGD O=C(O)CCCNC(=S)NNC(=O)Cc1ccccn1 739681324 JNBFNSYIRORRSB-UHFFFAOYSA-N 296.352 -0.016 50 20 CBGD CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)NC2CC2)C1 746838202 CROSFKHECIPSDF-GFCCVEGCSA-N 268.317 -0.262 50 20 CBGD C[C@H](C(=O)NNC(=O)CO)c1cccc([N+](=O)[O-])c1 762902780 XLHLTXVGCQWGLD-ZETCQYMHSA-N 267.241 -0.162 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnc2[nH]cnc2c1 764105338 DJUSKNPNPIVRCG-UHFFFAOYSA-N 262.273 -0.720 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(CC)CC(=O)NC 764201886 BXIFXKGYJULPBV-MRVPVSSYSA-N 258.322 -1.000 50 20 CBGD Cc1cc(C(=O)NNC(=O)N2CCOCC2)c(C)nn1 767350709 OGLQJXBMVCPPEG-UHFFFAOYSA-N 279.300 -0.220 50 20 CBGD CCc1nnc(SCC(=O)NNC(=O)C2CC2)n1N 768404749 QPYDLNVYGINMCY-UHFFFAOYSA-N 284.345 -0.796 50 20 CBGD CC(C)(C(N)=O)C(=O)NNC(=O)CNc1ccccc1 769845787 HWCSVGFKXDNJJU-UHFFFAOYSA-N 278.312 -0.243 50 20 CBGD COc1ccnc(NNC(=O)c2cnc3[nH]nnc3c2)n1 771504404 VNQQVVZTUOAFJM-UHFFFAOYSA-N 286.255 -0.092 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@H](CO)C1CC1 771817665 HYOYMHUKTOJPQB-MWLCHTKSSA-N 271.361 -0.071 50 20 CBGD COc1cc(CC(=O)NNC(=O)CO)ccc1C 777781075 GMZYFWCVVDGLPE-UHFFFAOYSA-N 252.270 -0.314 50 20 CBGD C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNc1ccccn1 779543388 BTPDRSAJCOBJFA-GZMMTYOYSA-N 278.312 -0.200 50 20 CBGD O=C(NNc1ncncc1Cl)[C@@H]1CN2CCCN1CC2 781831908 RLRHXDLMNZQYNJ-JTQLQIEISA-N 296.762 -0.037 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2CCN(C)C2=O)n1 794083420 ILUCKBMIQHMKPV-VIFPVBQESA-N 276.296 -0.371 50 20 CBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)c1cccnc1 816817397 ASHMFCZZGDULBB-IUCAKERBSA-N 262.269 -0.646 50 20 CBGD CCN(CCO)NC(=O)C1=C(C)N(C)c2nnnn2[C@H]1C 823889426 WBJPMZUDKQPEFJ-VIFPVBQESA-N 295.347 -0.697 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 823946328 HIGIOFRTNWGWMC-RKDXNWHRSA-N 295.405 -0.706 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccc(C(N)=O)cc1 823988849 XNQKLBJEULVPHO-MRVPVSSYSA-N 251.286 -0.257 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@H]1C[C@H]1C(=O)O 833117878 GSGRXYCQOKKRRE-DTWKUNHWSA-N 263.253 -0.508 50 20 CBGD CON1CCC(=NNC(=O)C(=O)NC(C)C)CC1 834932680 IGNDEPPVICOVID-UHFFFAOYSA-N 256.306 -0.360 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CN1CCSC1=O 843649952 XZLRRBKOEBURJM-YUMQZZPRSA-N 287.341 -0.272 50 20 CBGD CC(C)(C)N1C[C@@H](C(=O)NNC(=O)c2cc[nH]n2)CC1=O 855359595 XYXOOUCTTAUITK-QMMMGPOBSA-N 293.327 -0.182 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCC[C@H]2CCCCO2)N1 858352555 BNZLJACKFYHIJM-NXEZZACHSA-N 298.343 -0.445 50 20 CBGD CN(CCOCC1CC1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858695939 GYGWBIBCOZLMKV-SNVBAGLBSA-N 298.343 -0.636 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@H](CO)CC2CCC2)N1 858699459 QNLOIPCJCAJKKJ-UWVGGRQHSA-N 298.343 -0.854 50 20 CBGD COc1cccc(F)c1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862455795 JPJCPNDHIUJPJE-MRVPVSSYSA-N 295.270 -0.126 50 20 CBGD O=C(CCC1CCC1)NNC(=O)[C@@H]1CCC(=O)N1 862456029 LTNBVFRBKYKZHK-VIFPVBQESA-N 253.302 -0.007 50 20 CBGD C[C@]1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCCOC1 862459800 BKCNYMHMVPMCOY-UFBFGSQYSA-N 269.301 -0.771 50 20 CBGD O=S(=O)(CCNCc1ccc(B(O)O)cc1)C1CC1 863890352 SPUKYFWNDFLFRC-UHFFFAOYSA-N 283.158 -0.967 50 20 CBGD Cn1nc2c(c1C(=O)N1CC[C@H](B(O)O)C1)CCCC2 864236970 DTAGTVCGZHRMNA-VIFPVBQESA-N 277.133 -0.012 50 20 CBGD CN1CCN(C(=O)NNC(=O)C2CSC2)CC1 868120828 LANODCBUJCBWES-UHFFFAOYSA-N 258.347 -0.662 50 20 CBGD O=C(N[C@@H](CCO)C(F)(F)F)c1ccc(B(O)O)cc1 868542375 LFAPTWWHOSKGIV-VIFPVBQESA-N 291.034 -0.591 50 20 CBGD CC(=O)NC[C@@H]1CN(S(=O)(=O)CCCCl)CCO1 881907215 LZAZNYWHDRZMDC-SNVBAGLBSA-N 298.792 -0.218 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC(F)CC1 914989834 RHZQQEZWWLDKAP-UHFFFAOYSA-N 251.066 -0.060 50 20 CBGD CN(CC(=O)NNC(=O)c1ccc[nH]1)C(=O)C1CC1 915696005 ICOHJWXWGFUSKT-UHFFFAOYSA-N 264.285 -0.356 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 919879501 HXBAJVWQGJUVFO-RFZPGFLSSA-N 282.222 -0.596 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]12 1116280185 PUJSRMGQXBFCHB-DJLDLDEBSA-N 285.300 -0.553 50 20 CBGD CCn1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)n1 1118486363 GEOXTFZPBNLMJK-UHFFFAOYSA-N 279.300 -0.211 50 20 CBGD CC(C)c1ncncc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1261829868 DFAOLZCOCIYYSQ-SECBINFHSA-N 291.311 -0.360 50 20 CBGD Cn1cc(C2=NO[C@@H](C(=O)NNC(=O)CC3CC3)C2)cn1 1262626251 JFQRFTJFZHRVBG-LLVKDONJSA-N 291.311 -0.139 50 20 CBGD Cn1ccnc(NNC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)c1=O 1320768385 SSJUZOBUJXKXJU-BDAKNGLRSA-N 293.327 -0.485 50 20 CBGD CN(NC(=O)[C@@H]1CCc2cnn(C)c2C1)C(N)=O 1322590947 XLWHDPZJQXRBAI-SSDOTTSWSA-N 251.290 -0.433 50 20 CBGD CS(=O)(=O)C1(C(=O)NN=c2cc[nH]cc2)CCOCC1 1324266023 LJDSHUKNHUTTCT-UHFFFAOYSA-N 299.352 -0.460 50 20 CBGD CN[C@@H](C(=O)NNc1ncccn1)c1cnn(C)c1 1328462377 PJNWRKHDOSFTDG-SECBINFHSA-N 261.289 -0.386 50 20 CBGD Cc1cc(C#N)cnc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1330108797 RJHSRVCMVNDCCM-SECBINFHSA-N 287.279 -0.699 50 20 CBGD CC(C)NC(=O)NNC(=O)COCc1nncn1C 1330333258 FZYARQSNABWKOA-UHFFFAOYSA-N 270.293 -0.930 50 20 CBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cnn(C)c2)CO1 1332117569 BJWLVTWNDLVUPB-IONNQARKSA-N 267.289 -0.459 50 20 CBGD Cc1sc(=O)n(CC(=O)NN(C)C[C@H](C)O)c1C 1333347113 HUPQNCDAGSXECU-ZETCQYMHSA-N 273.358 -0.130 50 20 CBGD O=C(NC[C@@H]1C[C@H]2C=C[C@H]1C2)NNC(=O)C(=O)NC1CC1 1333840470 IGHIEPDBOOICHF-GUBZILKMSA-N 292.339 -0.192 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)C2CCOCC2)CCC1 1335108291 XWWOVXFJNDHIDN-UHFFFAOYSA-N 283.328 -0.523 50 20 CBGD CS/C=C\C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1340035207 OUFGVNLRGZOGNW-DQZUBPPWSA-N 278.355 -0.555 50 20 CBGD CO[C@H](C(=O)N1CC[C@H](B(O)O)C1)c1cnn(C)c1 1351728240 CWCSCRMALYALLI-UWVGGRQHSA-N 267.094 -0.817 50 20 CBGD COc1cncc(C(=O)NNC(=O)CCN)c1C 1579321818 HKRBKGJBFJYQBT-UHFFFAOYSA-N 252.274 -0.492 50 20 CBGD O=C(NNC(=O)[C@H]1CCN1)c1ccc(Br)nc1 1580733394 UATLHWTXYIUNRK-SSDOTTSWSA-N 299.128 -0.033 50 20 CBGD CC(C)(C(=O)O)C(=O)NNc1ncnc2[nH]cnc12 1588618611 ZRUNMDKVZUCVSF-UHFFFAOYSA-N 264.245 -0.093 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)nc1 1590744108 HOOZDZVVNICJBS-UHFFFAOYSA-N 276.260 -0.774 50 20 CBGD Cn1nncc1NNC(=O)Cc1ccc(-c2nn[nH]n2)cc1 1592613139 LXBMRRSGECTAGY-UHFFFAOYSA-N 299.298 -0.319 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@H](Cn1cncn1)C(=O)O 1596860512 AFKVOIDWYCRXIF-BZJXQOFCSA-N 279.256 -0.709 50 20 CBGD O=C(O)CC[C@@H]1CC[C@H](C(=O)NNC(=O)c2cc[nH]n2)O1 1602036390 RFMODINBSTVQDM-IONNQARKSA-N 296.283 -0.417 50 20 CBGD COc1cc(C=NNC(=O)C(N)=O)ccc1C(=O)O 1776016139 ZAPKRBOOQIQNMD-UHFFFAOYSA-N 265.225 -0.671 50 20 CBGD O=S1(=O)CC[C@H](NS(=O)(=O)CCCCl)C1 36881471 SPZHDDHHTGRLPR-ZETCQYMHSA-N 275.779 -0.278 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2ccnn2C)n1 63536209 KWJPJJVGWFTZRM-UHFFFAOYSA-N 276.300 -0.305 50 20 CBGD C[C@@H](OCC1CC1)C(=O)NNC(=O)Cc1cc[nH]n1 106417690 ZPWCIQNWZXHTRA-MRVPVSSYSA-N 266.301 -0.085 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(C(C)C)CC1 111199582 WEAYPICOWDWPNX-LLVKDONJSA-N 270.377 -0.042 50 20 CBGD O=C(CN1CCOCC1)NNC(=O)c1ccncc1 123077017 TVVGSDANNJQJAP-UHFFFAOYSA-N 264.285 -0.825 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCO1)c1ccc2nncn2c1 130122732 QMUBRWKYLBGCSR-VIFPVBQESA-N 275.268 -0.331 50 20 CBGD CC(C)[C@@H](C(=O)NNc1ccc(C(N)=O)nn1)N(C)C 158993657 SMFRZKQMBRKZDL-JTQLQIEISA-N 280.332 -0.395 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)c2ccccc2)C1 174368335 LXOUQMNTGQKKNW-NSHDSACASA-N 263.297 -0.222 50 20 CBGD CCCc1cc(C(=O)NNC(=O)C(C)(C)O)[nH]n1 190050380 OPCQPWDYEDYDDJ-UHFFFAOYSA-N 254.290 -0.106 50 20 CBGD COC(=O)N[C@H](C(=O)NNC(=O)NC1CC1)C(C)C 264500003 VERCMJWSOFNHHJ-QMMMGPOBSA-N 272.305 -0.140 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@H]1CCCCO1 267933883 QEJQHSLCFFTPBD-SECBINFHSA-N 271.317 -0.382 50 20 CBGD COC(=O)NNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 276726429 CDQVHGWORUOURN-NSHDSACASA-N 284.272 -0.906 50 20 CBGD Cn1cnn(CCC(=O)NNc2ccncc2)c1=O 293393542 FZKDKAFPPRQYBN-UHFFFAOYSA-N 262.273 -0.490 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@]1(O)CCc2ccccc2C1 376010970 FKYIYQOYMCBKPN-OAHLLOKOSA-N 292.335 -0.175 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H](C)CS(C)(=O)=O 495693768 SNZLLJCDEHUHML-LURJTMIESA-N 252.292 -0.604 50 20 CBGD COC[C@H](C)N(C)C(=O)c1cc(B(O)O)ccc1F 584932773 YOYVXJGCUMCONR-QMMMGPOBSA-N 269.081 -0.388 50 20 CBGD NC(=O)C1(CNC(=O)c2cccc(B(O)O)c2)CCCC1 584949404 FRCOQVQUWNWXQQ-UHFFFAOYSA-N 290.128 -0.858 50 20 CBGD O=C(N[C@H]1CCCc2c[nH]nc21)c1cccc(B(O)O)c1 584962687 JNUNBMNZBVHPFD-LBPRGKRZSA-N 285.112 -0.103 50 20 CBGD C[C@]1(CO)CCC[C@H]1NC(=O)c1ccc(B(O)O)cc1 584963252 WSAVJSFLTUOSNI-TZMCWYRMSA-N 277.129 -0.353 50 20 CBGD CC[C@H](C)[C@@H](CO)NC(=O)c1ccc(B(O)O)c(F)c1 584968755 DNTWVUIUMKOLRN-QPUJVOFHSA-N 283.108 -0.358 50 20 CBGD O=C(NCCN1CC=CCC1)c1ccc(B(O)O)cc1 584986275 YGOJGWWLUPWQOY-UHFFFAOYSA-N 274.129 -0.642 50 20 CBGD O=C(N[C@H]1CCCSC1)c1ccc(B(O)O)cc1 584993491 ZAHIJUBPOXDEGF-NSHDSACASA-N 265.143 -0.008 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC[C@H]1O 585006240 JUDZOCVCTLXTRQ-JIMOISOXSA-N 277.129 -0.354 50 20 CBGD OB(O)c1ccccc1CNC[C@H](O)C(F)(F)F 585022051 RZJRJURXQZYWGP-VIFPVBQESA-N 263.024 -0.621 50 20 CBGD C[C@@H](O)C[C@@H](C)CNCc1ccccc1B(O)O 585024983 JBGHONZFKZSBEQ-GHMZBOCLSA-N 251.135 -0.137 50 20 CBGD OB(O)c1ccc(CNC[C@H]2CCC[C@H]2O)c(F)c1 585026512 HQFWLXBBHIXWNO-ZWNOBZJWSA-N 267.109 -0.244 50 20 CBGD CC(C)(CCO)CNCc1ccccc1B(O)O 585027457 UERDJVATMZEMBA-UHFFFAOYSA-N 251.135 -0.135 50 20 CBGD OB(O)c1ccc(CNCCCO[C@H]2CCOC2)c(F)c1 585029563 AWQKEBZVOVXPIL-ZDUSSCGKSA-N 297.135 -0.209 50 20 CBGD C[C@@](CO)(CCF)NCc1ccc(B(O)O)cc1 585049856 LKXCKHKMVTUKAF-LBPRGKRZSA-N 255.098 -0.433 50 20 CBGD CCOCC(=O)NNC(=O)NCCN1CCOC[C@@H]1C 731283414 KGVGEKVHFIBRCO-JTQLQIEISA-N 288.348 -0.926 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@@H](OC)C(F)(F)F 733661365 UJAVXUUGJINOFL-ZCFIWIBFSA-N 287.238 -0.069 50 20 CBGD O=C(NNS(=O)(=O)C[C@@H]1CCCO1)C1CCC1 735645563 FFJFCDISTWKEEI-VIFPVBQESA-N 262.331 -0.084 50 20 CBGD CCN1CCO[C@@H](C(=O)NNC(=O)c2c[nH]nc2C)C1 746235454 WRCBXKWUZZPECV-SNVBAGLBSA-N 281.316 -0.800 50 20 CBGD CC(C)c1ncc(S(=O)(=O)NNC(=O)N(C)C)[nH]1 747608121 AKIDAWCSJMILAR-UHFFFAOYSA-N 275.334 -0.002 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H](C)c1cnn(C)c1 749923754 NDNYHHGHFOERTA-SECBINFHSA-N 283.332 -0.110 50 20 CBGD O=C(CO)NNC(=O)c1cn(-c2ccc(Cl)cc2)nn1 753452040 LVUZDWFCCWIUDV-UHFFFAOYSA-N 295.686 -0.326 50 20 CBGD O=C(CN1CCCCCC1=O)NNC(=O)c1ccnnc1 756744870 LDQHEQWMJCDXFO-UHFFFAOYSA-N 291.311 -0.360 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1nccnc1N 771928379 LSXWRZNUJDPPHP-ZCFIWIBFSA-N 281.272 -0.839 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1COCCN1CC(F)(F)F 773845726 DHYNQPHVNSHHOJ-LURJTMIESA-N 284.238 -0.790 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(CO)(OC)CC1 773943685 FDMJGICDXJWLDQ-JTQLQIEISA-N 287.360 -0.594 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](CO)O[C@H](C)C1 787320605 MBLLRGMOUMBIAD-UTLUCORTSA-N 273.333 -0.986 50 20 CBGD Cc1nn[nH]c1C(=O)NNC(=O)c1ccc2c(c1)OCO2 789867108 LDVAJCGCVYYVCF-UHFFFAOYSA-N 289.251 -0.083 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)COCc1ccccn1 805163899 XDJWNYZEYYYPSQ-UHFFFAOYSA-N 294.311 -0.730 50 20 CBGD C[C@]1(C(=O)NNc2ncc(F)cn2)CCNC1=O 821378558 PJRBPEXDCZHXAL-JTQLQIEISA-N 253.237 -0.415 50 20 CBGD CCOC(=O)[C@H](CC(=O)NNC(=O)NC)C(C)=O 823425294 QDVVZNGUBABATO-SSDOTTSWSA-N 259.262 -0.895 50 20 CBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NN(C)[C@@H](C)CO 823929482 ZHHOXVODKRZKDR-SMDDNHRTSA-N 297.355 -0.748 50 20 CBGD CC(=NNC(=O)CO)c1ccc(-c2nn[nH]n2)s1 823948682 UKGKFNYXKXANOX-UHFFFAOYSA-N 266.286 -0.239 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H](C(=O)O)C1 826135105 XVPYHKGCGZNXFT-SECBINFHSA-N 285.344 -0.024 50 20 CBGD CC1=NO[C@@H](C(=O)NNC(=O)c2cc(C)[nH]n2)C1 831418852 SMLYYMJMTTXHEA-MRVPVSSYSA-N 251.246 -0.356 50 20 CBGD O=C(CCCCN1CCCC1)NNC(=O)[C@@H]1CCC(=O)N1 862454166 RAMFHCRUROCYAZ-NSHDSACASA-N 296.371 -0.322 50 20 CBGD CCOC(=O)C(C)(C)CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862460258 DMUUOIUMPVSZEH-QMMMGPOBSA-N 299.327 -0.608 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCS1(=O)=O)c1cn[nH]c1 862471292 YZFJLECBPUNJSG-QMMMGPOBSA-N 286.313 -0.862 50 20 CBGD C#C[C@H](NC(=O)c1ccc(B(O)O)cc1)[C@@H]1CCCO1 863879546 VFUWSTMJGKTOAB-STQMWFEESA-N 273.097 -0.723 50 20 CBGD COCCOCC(=O)NNC(=O)[C@](C)(O)C1CCC1 869903586 DTVIERBSGNFVEA-GFCCVEGCSA-N 274.317 -0.652 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCC(F)F 879759747 ZQJFASPISSCIQA-ZCFIWIBFSA-N 269.248 -0.367 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)n(C)c1=O 908517353 JLBYUPSUSKQECM-VIFPVBQESA-N 282.300 -0.946 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O 910180161 SODIKCUEWUQHFX-UWVGGRQHSA-N 293.389 -0.856 50 20 CBGD C[C@@H]1NC(=O)[C@H](C)N(C(=O)c2cccc(B(O)O)c2)[C@H]1C 911776376 BARCOCYWMRJTAJ-GUBZILKMSA-N 290.128 -0.896 50 20 CBGD C[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)n1cccc1 1118971156 UUWATJGTAAQGPW-DTWKUNHWSA-N 264.285 -0.525 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 1254888664 JDFXVGIEAQTSIE-UHFFFAOYSA-N 266.213 -0.299 50 20 CBGD CCn1cc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cn1 1318415682 WUZCKFASVHBRDI-SNVBAGLBSA-N 284.341 -0.212 50 20 CBGD CCn1cc(CC(=O)NNc2nnc(C)c(O)n2)cn1 1320516895 VLNFVUQTESSRMM-UHFFFAOYSA-N 277.288 -0.212 50 20 CBGD COc1coc(C(=O)NNC(=O)N2CCOCC2)cc1=O 1322576933 VVIQQEXWCBLCEK-UHFFFAOYSA-N 297.267 -0.665 50 20 CBGD O=C(NNC(=O)[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1322587031 FHNBFBWNKBDYKY-JGVFFNPUSA-N 292.382 -0.678 50 20 CBGD COc1ccnc(NNC(=O)COCc2nncn2C)n1 1324370032 QHLLHXBPRDKLJP-UHFFFAOYSA-N 293.287 -0.726 50 20 CBGD CCn1nncc1C(=O)NNC(=O)NCCCOC 1324941862 VNXQEQYZJZFIRG-UHFFFAOYSA-N 270.293 -0.722 50 20 CBGD C[C@H](O)CN(C)NC(=O)Cn1c(=O)oc2ccccc21 1339541129 XWDKBEMMQBLGBX-VIFPVBQESA-N 279.296 -0.062 50 20 CBGD Cn1ccnc(NNC(=O)CCOC2CCOCC2)c1=O 1340110443 RSKGVYAISCDVDY-UHFFFAOYSA-N 296.327 -0.191 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)[C@@H]1CSCC(=O)N1 1343154800 QSDAWEUDYIUJRK-ZETCQYMHSA-N 273.358 -0.198 50 20 CBGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NNC(=O)C1(N)CC1 1575184507 VFQCJAQJWYENQU-MRVPVSSYSA-N 298.343 -0.366 50 20 CBGD NC1CCN(CC(=O)NNC(=O)NCC(F)(F)F)CC1 1580189441 CBSFJXMHXHTKAY-UHFFFAOYSA-N 297.281 -0.698 50 20 CBGD O=C(NNC(=O)[C@@H]1CC[C@H]1C(=O)O)[C@@H]1C[C@H]2CC[C@H]1O2 1594782583 BXBXABFUGNVHJM-VVULQXIFSA-N 282.296 -0.188 50 20 CBGD COC(=O)C(=O)NN[C@H](C(=O)O)c1cccc(C#N)c1 1598685241 TURQSCVCJCHKGY-VIFPVBQESA-N 277.236 -0.522 50 20 CBGD CNC(=O)CN1CCN(S(=O)(=O)CCCCl)CC1 37895399 HREXHZBVHCJRCR-UHFFFAOYSA-N 297.808 -0.691 50 20 CBGD CC(=O)NCCNC(=O)NNC(=O)c1ccccc1F 43141147 HLWKHTHWGPIUBT-UHFFFAOYSA-N 282.275 -0.094 50 20 CBGD CNC(=O)NNC(=O)Cn1cc(C(F)(F)F)ccc1=O 73753892 YFDFZWOFMPZSDH-UHFFFAOYSA-N 292.217 -0.173 50 20 CBGD COc1ccnc(NNC(=O)C(C)(C)S(C)(=O)=O)n1 265061549 SYKZKRCQZCJKIR-UHFFFAOYSA-N 288.329 -0.249 50 20 CBGD Cc1cc(C)nc(NNC(=O)C[C@H]2CNCCO2)n1 269182362 BKAANEVXVCWIIA-JTQLQIEISA-N 265.317 -0.085 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@H](O)c1cccnc1 271047928 PQJZWBZHFHIANE-SNVBAGLBSA-N 280.284 -0.812 50 20 CBGD COCc1nc(C(=O)NNC(=O)C(C)(C)O)cs1 277866517 CHZPINJNHQZNAO-UHFFFAOYSA-N 273.314 -0.179 50 20 CBGD Cc1nc(-c2cccc(NC(=O)NNC(=O)CO)c2)n[nH]1 359971580 CHYPKPJFCAPQBZ-UHFFFAOYSA-N 290.283 -0.075 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)Cc2cccnc2)C1 369928732 VPJKFOZIESPRCW-LBPRGKRZSA-N 292.339 -0.508 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2NC(=O)O[C@@H]2C)o1 496889184 AUYZSPYSXLOWJF-HTRCEHHLSA-N 267.241 -0.154 50 20 CBGD CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(C=NNC(=O)C(N)=O)C1 497223848 ZADBJUBEWQARQY-ISVAXAHUSA-N 296.327 -0.169 50 20 CBGD C[C@@H](COCC1CC1)NC(=O)c1ccc(B(O)O)cc1 585005049 VVFCVTBZMJISRS-JTQLQIEISA-N 277.129 -0.089 50 20 CBGD CCn1nncc1CNC(=O)c1cc(B(O)O)ccc1F 585010790 QLFQNSPZRGDHLM-UHFFFAOYSA-N 292.079 -0.953 50 20 CBGD C[C@H](CNCc1ccc(B(O)O)cc1F)S(C)(=O)=O 585032632 XKMPXZHATJLSGN-MRVPVSSYSA-N 289.137 -0.972 50 20 CBGD O=C1CC[C@H](NCc2ccc(B(O)O)cc2)C2(CCC2)N1 585042161 JYQAVIMZBPPONA-ZDUSSCGKSA-N 288.156 -0.343 50 20 CBGD Cn1cc2c(n1)CCC[C@H]2NCc1ccc(B(O)O)o1 585043205 ZOAKNGBPRKVTST-LLVKDONJSA-N 275.117 -0.140 50 20 CBGD C[C@@H]1C[C@@H](NCc2ccc(B(O)O)o2)c2ncnn21 585046782 YFOGCFDWCORYSF-VXNVDRBHSA-N 262.078 -0.654 50 20 CBGD CO[C@@]1(C)C[C@H]1NCc1ccc(B(O)O)cc1F 585049976 NTXMKWOWEQKXKO-NEPJUHHUSA-N 253.082 -0.228 50 20 CBGD Nc1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1[N+](=O)[O-] 585071454 SVTJVRVVAQSMTK-MRVPVSSYSA-N 279.061 -0.134 50 20 CBGD O=C(NN=Cc1cccc(O)c1O)[C@@H]1CCS(=O)(=O)C1 730575752 HGTWKTZWUNQQDQ-SECBINFHSA-N 298.320 -0.017 50 20 CBGD O=C(NNC(=O)[C@H](O)c1cccnc1)c1ccc[nH]1 732257768 AXCUHAJVPREZOC-SNVBAGLBSA-N 260.253 -0.096 50 20 CBGD CS(=O)(=O)N1CCC[C@@H]1C(=O)NNc1cnccn1 734244258 AHGYTUSRHSSHGV-MRVPVSSYSA-N 285.329 -0.656 50 20 CBGD C[C@]1(NNC(=O)N[C@H]2CCSC2)CCS(=O)(=O)C1 745899292 MFFRPWVZTGVGQQ-WPRPVWTQSA-N 293.414 -0.127 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cc(C(=O)O)ccc1F 745977901 FZZWWPPONWYJKW-UHFFFAOYSA-N 291.260 -0.354 50 20 CBGD Cn1cc(C(=O)NNc2cccc(C#N)c2)c(=O)n(C)c1=O 748034261 PMMFANNXFUNYIV-UHFFFAOYSA-N 299.290 -0.287 50 20 CBGD COCCCC(=O)NNC(=O)C(=O)N1CCCC1 748240346 SXUKPBQVTOISLV-UHFFFAOYSA-N 257.290 -0.817 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](CO)C1 748809994 OTISVXMLTGUDSD-VHSXEESVSA-N 257.334 -0.363 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(OC(C)=O)CC1 753187385 CYGWIGVJGUNAIP-SECBINFHSA-N 285.344 -0.040 50 20 CBGD Cn1cc(C(=O)NNC(=O)Nc2cccnn2)cn1 757660324 CSGGMZSQNSUFRF-UHFFFAOYSA-N 261.245 -0.323 50 20 CBGD COc1nccnc1NNC(=O)c1nonc1C 764484128 KXZIWEZOYNTWMB-UHFFFAOYSA-N 250.218 -0.066 50 20 CBGD Cc1cc(C(=O)NNC(=O)CS(=O)(=O)C(C)C)n[nH]1 768276818 QBELPVUUGQHKJP-UHFFFAOYSA-N 288.329 -0.698 50 20 CBGD O=C(Cn1cc([N+](=O)[O-])cn1)NN=c1cc[nH]cc1 780756919 GUPUEUMSJVYRJC-UHFFFAOYSA-N 262.229 -0.249 50 20 CBGD C[C@]1(C(=O)NNC(=O)C(=O)NC2CC2)CCCOC1 781250459 XKQQJEFFOKOKJB-LBPRGKRZSA-N 269.301 -0.771 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CCC(=O)c2cccn21 788740508 AKPPNKVFFGCNER-MRVPVSSYSA-N 250.258 -0.034 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)c1n[nH]cc1[N+](=O)[O-] 798313658 LMKHBZLXUDFVHE-UHFFFAOYSA-N 296.165 -0.176 50 20 CBGD COc1ncc(C(=O)NNC(=O)N=c2cc[nH]cc2)cn1 802025652 LNQYTXNZQFOHOI-UHFFFAOYSA-N 288.267 -0.231 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H]1CCCC(=O)N1 808681361 CFSZFTYHXWXIEA-IUCAKERBSA-N 299.327 -0.466 50 20 CBGD CC(C[C@@H]1CCC(=O)N1)=NNC(=O)N1CCN(C)CC1 811648552 MSYMOFQSEMGGSB-NSHDSACASA-N 281.360 -0.012 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1cc2n(n1)CCO2 813573553 DJXCKPQZDQBNOV-UHFFFAOYSA-N 288.267 -0.441 50 20 CBGD Cn1cnn(CCC(=O)NNC(=O)c2ccccc2)c1=O 814693849 KPWDMWSBZIAZIV-UHFFFAOYSA-N 289.295 -0.567 50 20 CBGD CC(C)(C)C(=O)NNC(=O)N1CCO[C@@H](C(=O)O)C1 817797079 AXKRFOKIBVKEGN-SSDOTTSWSA-N 273.289 -0.441 50 20 CBGD O=C(NNC(=O)c1cnco1)c1ccc(-c2nn[nH]n2)cc1 826445452 VIZOOAXOVJOTRM-UHFFFAOYSA-N 299.250 -0.071 50 20 CBGD O=C(Cc1ccccc1F)NNC(=O)C[C@@H]1CC(=O)N1 826937858 VPTPLIXSLVDNPC-VIFPVBQESA-N 279.271 -0.206 50 20 CBGD CC(=O)NCCN(C)CC(=O)NNC(=O)C(C)(C)C 830148151 IYHBPNAEIHVGLV-UHFFFAOYSA-N 272.349 -0.752 50 20 CBGD CO[C@H](C)CNC(=O)NNC(=O)Cc1cccnc1 852058719 KXMUIWUXMJZFKG-SECBINFHSA-N 266.301 -0.011 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCn2cncc2C1 852067337 XWXMVBVGMBCJQD-SECBINFHSA-N 265.317 -0.355 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@@H]2NC(=O)CC[C@@H]2C1 852497372 VFYMGTXEYKPMRE-MNOVXSKESA-N 296.371 -0.610 50 20 CBGD CCC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cc[nH]n2)C1 855359663 ZZILJNNQMUBFMQ-SECBINFHSA-N 293.327 -0.181 50 20 CBGD O=C(NNc1ccncn1)[C@H]1COCCN1CC(F)F 857520683 IXWBASWOXUFJKN-MRVPVSSYSA-N 287.270 -0.114 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(O)ncn1 861851951 BMRMQOJWHMYGEM-QMMMGPOBSA-N 266.257 -0.488 50 20 CBGD C#CCO[C@H](C)C(=O)NNC(=O)C1CCOCC1 883071009 MFLJXRWWGVXUFV-SECBINFHSA-N 254.286 -0.401 50 20 CBGD CCCN1C[C@@H](C(=O)NN(C)C[C@@H](C)O)CC1=O 910145938 GHPDTVTYQYGIKW-ZJUUUORDSA-N 257.334 -0.411 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1cscn1 913731178 XSOCJHMEWHFDJF-UHFFFAOYSA-N 268.298 -0.474 50 20 CBGD CC(=O)N(C)CC(=O)NNc1nncc(N)c1Cl 1116292941 UBEQNFOWPQXUMW-UHFFFAOYSA-N 272.696 -0.366 50 20 CBGD NC(=O)c1ccc(C(=O)NNc2ncncc2F)cn1 1117730857 VSXOQMOZNKXZET-UHFFFAOYSA-N 276.231 -0.134 50 20 CBGD O=C(NNC(=S)NCC1CCC1)C(=O)NC1CC1 1318249197 VTCKZKBVDLAEKS-UHFFFAOYSA-N 270.358 -0.440 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)CO1 1320589266 IYQJPHWEIFPMCN-RQJHMYQMSA-N 292.299 -0.063 50 20 CBGD CS(=O)(=O)CCC(=O)NNC(=O)Cc1ccncc1 1322266966 LDXJRVRHJRVFRW-UHFFFAOYSA-N 285.325 -0.794 50 20 CBGD O=C(CO[C@@H]1CCOC1)NNC(=O)c1cccnc1 1322302388 ZMQQBQKRAWADHC-SNVBAGLBSA-N 265.269 -0.352 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)CC[S@@](=O)C1 1324629394 NYRDBQYHHGBKMI-AYLIAGHASA-N 287.385 -0.756 50 20 CBGD O=C(NNc1ncccn1)[C@H]1CCCS(=O)(=O)C1 1326704322 KSUYMACUEUMOQR-QMMMGPOBSA-N 270.314 -0.256 50 20 CBGD Cc1ncccc1C(=O)NNC(=O)C(=O)NC(C)C 1326983010 MVKYDAWYAZVJTG-UHFFFAOYSA-N 264.285 -0.324 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C[C@@H]1CCC(=O)N1 1328023402 VBNVFHBYFTYRNN-VIFPVBQESA-N 298.343 -0.893 50 20 CBGD CN1CC[C@@H](C(=O)NNc2cnnn2C)CC1=O 1328636548 JABXRDJTNBWPPY-SSDOTTSWSA-N 252.278 -0.873 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cccc(=O)n2C)cn1 1341176325 PKBHNVVHIWMLTN-UHFFFAOYSA-N 275.268 -0.806 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1cnccc1OC 1342638933 XEPZUCPRGXWWCY-UHFFFAOYSA-N 282.256 -0.194 50 20 CBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNc1ncc(Cl)cn1 1528619906 MJHBAGOFZNCEQK-WPRPVWTQSA-N 296.762 -0.039 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)[C@H]1C[C@H]1N 1579307019 LXYAJBIIHFAUDB-VHSXEESVSA-N 263.297 -0.268 50 20 CBGD CC(C)(C(=O)O)n1ccc(NC(=O)NNC(=O)CCO)n1 1588626450 OUQSWAXUEMNTIE-UHFFFAOYSA-N 299.287 -0.762 50 20 CBGD CCO/C=C(/C#N)C(=O)NCCC(=O)NCCC(=O)O 1596864434 SUDQMBQOKDBBFZ-HJWRWDBZSA-N 283.284 -0.472 50 20 CBGD O=C(O)c1cncc(C(=O)NNC(=O)[C@H]2CCCO2)c1 1610862303 UDZPSFHZFQWXLS-SECBINFHSA-N 279.252 -0.280 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)c2nccs2)nn1 1776109578 QCNQNPVNUBQWAJ-UHFFFAOYSA-N 280.269 -0.417 50 20 CBGD CNC(=O)NNC(=O)Cn1c(=O)cnc2ccccc21 48949518 MVSKVEUGMCRZAU-UHFFFAOYSA-N 275.268 -0.643 50 20 CBGD CCC1(CC)NC(=O)N(CC(=O)NNC(=O)NC)C1=O 56375061 UZORZVUETLNCPX-UHFFFAOYSA-N 285.304 -0.943 50 20 CBGD CCN1CCN(CC(=O)NNC(=O)C2CC2)CC1 112975429 JBESIZJBMHCURM-UHFFFAOYSA-N 254.334 -0.819 50 20 CBGD O=C(CO)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 180951143 FBGZRJIRGSZGQV-UHFFFAOYSA-N 278.243 -0.031 50 20 CBGD CCOC(=O)CC(=O)NNC(=O)Cc1cccnc1 264254578 YOJLEAWQZFDRRD-UHFFFAOYSA-N 265.269 -0.275 50 20 CBGD CS[C@H](C)CC(=O)NNC(=O)C(=O)N1CCCC1 270221022 NCQZZXNPYAYBEF-MRVPVSSYSA-N 273.358 -0.102 50 20 CBGD COc1ccc(NNC(=O)CN(C)S(C)(=O)=O)nc1 275448291 CFOURFDLPGLLNT-UHFFFAOYSA-N 288.329 -0.575 50 20 CBGD COC(=O)COCC(=O)NNc1ccc(OC)cn1 289017751 MIPWFZFLHSJOGP-UHFFFAOYSA-N 269.257 -0.277 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@@H](F)C(F)(F)F 292938937 JRHQSCJTAZMOTG-RXMQYKEDSA-N 273.186 -0.040 50 20 CBGD CN(C)C(=O)NNC(=O)CN1C(=O)COc2ccccc21 298356810 MNDWHKWLVLYQMD-UHFFFAOYSA-N 292.295 -0.286 50 20 CBGD CC(C)(O)C(=O)NNC(=O)C1(O)Cc2ccccc2C1 370500963 UWKWAVKJTJTFKT-UHFFFAOYSA-N 278.308 -0.565 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)c1c[nH]nc1C 494122402 AYBRGJPANBJJQA-LURJTMIESA-N 269.261 -0.776 50 20 CBGD CC(C)COCCNC(=O)c1cc(B(O)O)ccc1F 584939568 ODFIYGYIWURKJW-UHFFFAOYSA-N 283.108 -0.092 50 20 CBGD CCC(=O)N1CC[C@@H](NC(=O)c2cccc(B(O)O)c2)C1 584961095 YFXSSODGJRBHEX-GFCCVEGCSA-N 290.128 -0.893 50 20 CBGD O=C(N[C@H]1CCOC1)c1cc(B(O)O)ccc1F 584964335 CSPQDJWTEUIMHP-QMMMGPOBSA-N 253.038 -0.976 50 20 CBGD O=C(N[C@@H](CO)CC(F)(F)F)c1cccc(B(O)O)c1 584969646 OWYDFDCXWCSKEP-SECBINFHSA-N 291.034 -0.591 50 20 CBGD CCN1CC[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 584998579 AVHFKRZKHCNIGI-SNVBAGLBSA-N 280.108 -0.671 50 20 CBGD C[C@H](CCN1CCCC1)NCc1ccc(B(O)O)o1 585022222 VERXBMBZAAIWKU-LLVKDONJSA-N 266.150 -0.077 50 20 CBGD OC[C@H](CNCc1ccc(B(O)O)o1)c1ccccc1 585025885 GAUNPRBMQOWMKL-LBPRGKRZSA-N 275.113 -0.175 50 20 CBGD C[C@@H]1CN(C2CC2)C[C@H]1NCc1ccc(B(O)O)o1 585028638 NZMQXSWKHGHBGS-BXKDBHETSA-N 264.134 -0.468 50 20 CBGD C[C@H](CO)CCCNCc1cccc(B(O)O)c1 585033881 HJYHHWRXMZPKRH-NSHDSACASA-N 251.135 -0.135 50 20 CBGD OB(O)c1ccc(CNC[C@H]2CC23CCOCC3)o1 585042744 CQLJJNWRQREAAK-SNVBAGLBSA-N 265.118 -0.134 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)o1)c1csnn1 585046093 MLHXDOOKLWUCGS-ZCFIWIBFSA-N 253.092 -0.338 50 20 CBGD CCn1nc(C)c(CNCc2ccc(B(O)O)cc2)n1 585048284 MWLMKMBGGUGWBN-UHFFFAOYSA-N 274.133 -0.424 50 20 CBGD CC(C)(C)N1CC[C@@H](NCc2ccc(B(O)O)cc2)C1=O 585048325 ODNQGXUDEJRJMA-CYBMUJFWSA-N 290.172 -0.145 50 20 CBGD Cc1c(C(=O)NCB(O)O)nnn1-c1cccc(Cl)c1 585061844 JKIVSUOPPUCKTB-UHFFFAOYSA-N 294.507 -0.029 50 20 CBGD CCCCCS(=O)(=O)CC(=O)NNC(=O)NCC 728020769 BYKSNWPCGUSLFY-UHFFFAOYSA-N 279.362 -0.058 50 20 CBGD COc1ncc(C(=O)NNC(=O)N2CCOCC2)cn1 733953689 MQPYXSUCLALKLZ-UHFFFAOYSA-N 281.272 -0.828 50 20 CBGD COc1cc(C)nc(NNC(=O)NCC[S@@](C)=O)n1 746768534 YIMRDFHXELDWKN-LJQANCHMSA-N 287.345 -0.202 50 20 CBGD CN1C(=O)C(=O)N(CC(=O)NNc2cccc(F)c2)C1=O 748089183 HVEXLDHHAUCQFC-UHFFFAOYSA-N 294.242 -0.311 50 20 CBGD O=C(CO)NNC(=O)c1ccc2c(c1)NC(=O)CS2 753443268 XAXGCTQOLWHYCQ-UHFFFAOYSA-N 281.293 -0.516 50 20 CBGD C#CC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 753889814 VXMQQWODOHSPKI-UHFFFAOYSA-N 270.248 -0.672 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc([N+](=O)[O-])[nH]1 755274583 ANLKRWAUKAUNDM-UHFFFAOYSA-N 278.228 -0.350 50 20 CBGD CS[C@H](C)CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 756871733 VCZQPMDFQJLXIH-SFYZADRCSA-N 294.398 -0.290 50 20 CBGD NC(=O)C(=O)NN=Cc1ccn(-c2ccccc2)n1 766681967 IELVCFYRELCMAO-UHFFFAOYSA-N 257.253 -0.192 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)O)[C@@H]1CCSC1 768240974 HQMVUEPENHIPNK-MRVPVSSYSA-N 275.374 -0.658 50 20 CBGD COc1ccnc(NNC(=O)N=c2nc[nH]n2C)n1 775682927 LXFBGLIZFOQEDD-UHFFFAOYSA-N 264.249 -0.816 50 20 CBGD CC[C@H](CO)C(=O)NNC(=S)NCCSC 779829549 RTRDDXDMNWHYJV-SSDOTTSWSA-N 265.404 -0.137 50 20 CBGD C[C@@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)[C@H]1CO 785517660 WXLFVVFMOSHVTR-ZJUUUORDSA-N 271.361 -0.117 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H](COC)[C@H]1CCCO1 789380705 AWXFFXVTCUSDOC-GARJFASQSA-N 287.360 -0.284 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1cc([N+](=O)[O-])n[nH]1 803393952 DYJCAROKDSPCEL-UHFFFAOYSA-N 291.227 -0.399 50 20 CBGD C[C@@H]1CSC[C@H]1NC(=O)NNC(=O)C(=O)NC1CC1 807475641 JDJAHQHDARVSAY-HTRCEHHLSA-N 286.357 -0.653 50 20 CBGD CC[C@@H](C)CONC(=O)NNC(=O)C(=O)NC1CC1 813826824 FAYHUBDUIUOJBM-SSDOTTSWSA-N 272.305 -0.427 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=S)NC1CCC1 814191336 GMRJQBJWUBYGRS-UHFFFAOYSA-N 258.347 -0.441 50 20 CBGD CC(=NNC(=O)C(=O)NC1CC1)c1ccc(N)nc1 814777555 FCTGCILAJMGDOR-UHFFFAOYSA-N 261.285 -0.217 50 20 CBGD O=C(CC1CC1)NNC(=O)[C@@H]1CCCCS1(=O)=O 819132010 VLBDGEYQMWETMP-VIFPVBQESA-N 274.342 -0.099 50 20 CBGD O=C(NCC1CC1)NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 823175249 CXZJIFYFNBAGTK-UHFFFAOYSA-N 290.287 -0.451 50 20 CBGD COC(=O)N1CCC(C(=O)NN(C)[C@H](C)CO)CC1 823913374 SSOUKKIMVVJDFG-SECBINFHSA-N 273.333 -0.191 50 20 CBGD COc1c(C(=O)NN(C)[C@@H](C)CO)c(C)nn1C 823960012 UFUKANYISVQFLE-ZETCQYMHSA-N 256.306 -0.305 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1sccc1-n1cnnn1 823970066 BOQKQBOZFZNMBE-ZETCQYMHSA-N 282.329 -0.319 50 20 CBGD CNc1nnc(CC(=O)NN(C)C[C@H](C)O)s1 824100921 OGHQSEZRYRNESE-LURJTMIESA-N 259.335 -0.534 50 20 CBGD CCN1C[C@@H](NC(=O)NNc2cccnn2)CC1=O 836607278 HRVKQVMTPINQGG-QMMMGPOBSA-N 264.289 -0.277 50 20 CBGD CN(CCN)CC(=O)NNC(=O)c1cccc(Cl)c1 842479497 VNXNLWICLFMDPI-UHFFFAOYSA-N 284.747 -0.009 50 20 CBGD CCn1nc(C)c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1 843659534 JAIDVHAQEICOIQ-DTWKUNHWSA-N 281.316 -0.208 50 20 CBGD O=C1C[C@H](C(=O)NNC(=O)NC2CCCCC2)N1 854192230 HLMYSGPDKANHGB-MRVPVSSYSA-N 254.290 -0.462 50 20 CBGD C[C@@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CC1 858104509 NGUCBSGPJDCFRI-HTRCEHHLSA-N 254.290 -0.606 50 20 CBGD COC[C@@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)CCO1 858704965 SBOJGLTVYVTJLZ-VIFPVBQESA-N 283.288 -0.889 50 20 CBGD O=C(CC[C@H]1CCOC1)NNC(=O)c1cn[nH]c1 862472854 UUPPZVKLDFHYNG-QMMMGPOBSA-N 252.274 -0.013 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCc2cccs2)N1 865016643 PCNUSYXRBJXHFQ-VIFPVBQESA-N 296.352 -0.100 50 20 CBGD CO[C@@H](C(=O)NNC(=O)C1CCOCC1)C1CC1 883069546 MOHNHAIIWXNMEZ-SNVBAGLBSA-N 256.302 -0.015 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F 910158407 FBURTKYJPWYCFS-YUMQZZPRSA-N 297.277 -0.117 50 20 CBGD Cc1ccc(CC(=O)NNC(=O)CN2CCCC2=O)o1 913731749 UWMGOGZQZDVCSZ-UHFFFAOYSA-N 279.296 -0.100 50 20 CBGD CCNC(=O)NNC(=O)c1ccnc(C(=O)OC)c1 1116222337 KEJVYUOCJJIIQE-UHFFFAOYSA-N 266.257 -0.168 50 20 CBGD CCO/C=C(/C#N)C(=O)Nc1nn(C)cc1C(N)=O 1116458520 NAKHLHZRFCRXCW-SREVYHEPSA-N 263.257 -0.099 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccnc(OC)c1 1119045582 QIEHNEPOSMGARH-UHFFFAOYSA-N 283.284 -0.486 50 20 CBGD CCN(CCO)NC(=O)C1(O)Cc2ccccc2C1 1119048208 VYLMADSNNCWMLB-UHFFFAOYSA-N 264.325 -0.138 50 20 CBGD C[C@H](N)CCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 1119381749 RRJGZUDAXWOLDV-WCBMZHEXSA-N 278.378 -0.895 50 20 CBGD CN(NC(=O)Cc1nnc(O)c2ccccc12)C(N)=O 1254449153 YHXXHVZTDDEPDC-UHFFFAOYSA-N 275.268 -0.080 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccncc1C 1255328462 XFEPSSXPYHJSQN-UHFFFAOYSA-N 266.257 -0.607 50 20 CBGD Cn1cnc(C(=O)NNC(=O)C2CCOCC2)c1 1262187250 FEOIEYILVGHGRF-UHFFFAOYSA-N 252.274 -0.392 50 20 CBGD COC[C@H](NC(=O)NNC(=O)C(=O)OC)c1ccco1 1318876551 IJAWZLKXNOJKIS-ZETCQYMHSA-N 285.256 -0.530 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)NCC1CC1 1320671776 ZVZOBVCNDXIOAG-UHFFFAOYSA-N 265.273 -0.995 50 20 CBGD CC[C@H](NC(=O)NNC(=O)C(=O)OC)[C@H]1CCCO1 1323019544 JVIDYCYMHYXIFD-JGVFFNPUSA-N 273.289 -0.553 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccc2[nH]ncc2c1 1325539433 MMUHIWOQDXPGQR-UHFFFAOYSA-N 277.240 -0.111 50 20 CBGD Cn1ncc(C=NNC(=O)CS(C)(=O)=O)c1Cl 1329110665 NDZJCSAJQSTIOA-UHFFFAOYSA-N 278.721 -0.432 50 20 CBGD COC(=O)N(C)NC(=O)NC[C@H](C)CN1CCOCC1 1330242330 OIODVDGCPBDXML-JTQLQIEISA-N 288.348 -0.133 50 20 CBGD Cn1c(NNC(=O)[C@@H]2NC[C@@H]3C[C@@H]32)nc2ccccc2c1=O 1332287848 MUIHDYZPEWTEFL-PTOFAABTSA-N 299.334 -0.016 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1nccn1C 1347048884 XHUBJNLBDFEMDJ-UWVGGRQHSA-N 280.328 -0.075 50 20 CBGD O=C(O)C(=O)NNC(=S)NC[C@@H]1CCCCO1 1608530780 FGMPSAOLMULWOG-LURJTMIESA-N 261.303 -0.865 50 20 CBGD O=C(O)CNC(=O)NNS(=O)(=O)c1ccc(F)cc1 1608754426 DKTOZLYLXHXNHY-UHFFFAOYSA-N 291.260 -0.597 50 20 CBGD CCN1CCCC[C@@H]1C(=O)NNC(=O)C(=O)NC1CC1 104212832 HRBPOYJEUAXJNP-SNVBAGLBSA-N 282.344 -0.713 50 20 CBGD C[C@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)c1cnn(C)c1 265330706 NVKKPUFOYJMXOK-ONGXEEELSA-N 296.327 -0.235 50 20 CBGD CCNC(=O)N(C)NC(=O)Cn1ccccc1=O 271440186 RRCZGQAIGFICBS-UHFFFAOYSA-N 252.274 -0.459 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=O)c1cccc(C)n1 279797132 LKYMZPDBDXNDCY-UHFFFAOYSA-N 280.284 -0.151 50 20 CBGD CNC(=O)NNC(=O)[C@H](C)N(C)CC(F)(F)F 280588411 NARFTALDEOHFHH-YFKPBYRVSA-N 256.228 -0.171 50 20 CBGD CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)c2cc(C)[nH]n2)C1 366412608 CTZGDDVMCYRMSN-CYBMUJFWSA-N 293.327 -0.262 50 20 CBGD C[C@H](N)CN(C)CC(=O)NNC(=O)c1ccccc1 382302998 MCAKLSFJFCNOEU-JTQLQIEISA-N 264.329 -0.273 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H]1CCc2nnnn2CC1 496759953 POZAQXFWBAPSNY-SSDOTTSWSA-N 268.277 -0.645 50 20 CBGD C[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CCCO1 584938900 DYANNTIALHOQGR-SECBINFHSA-N 281.092 -0.244 50 20 CBGD C[C@H](O)CC(C)(C)CNC(=O)c1cccc(B(O)O)c1 584954427 KXIXPPRGDITRDV-JTQLQIEISA-N 279.145 -0.107 50 20 CBGD C[C@H](O)C[C@@H]1CCCN1C(=O)c1ccc(B(O)O)c(F)c1 584965902 UHNARSQDDICITN-ONGXEEELSA-N 295.119 -0.119 50 20 CBGD C=CCN(CCO)C(=O)c1cc(B(O)O)ccc1F 584966840 ALXQZXBYCVDWKU-UHFFFAOYSA-N 267.065 -0.874 50 20 CBGD C[C@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CCO1 584970080 SDLYUAYXUDRPOM-CABZTGNLSA-N 263.102 -0.336 50 20 CBGD CC(C)[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)CCN1C 584981058 RPYXXYQOSMCSTM-AWEZNQCLSA-N 290.172 -0.221 50 20 CBGD C[C@H]1CC[C@H](O)CN1C(=O)c1ccc(B(O)O)c(F)c1 584984982 DRLXOGMZNCCBMC-WPRPVWTQSA-N 281.092 -0.509 50 20 CBGD CC[C@H]1COC[C@H]1NC(=O)c1cc(B(O)O)ccc1F 585007394 LTUSJPMYSMWMMV-QPUJVOFHSA-N 281.092 -0.340 50 20 CBGD CS[C@H](CO)[C@H](C)NCc1ccc(B(O)O)cc1F 585028089 HMANHSAWETWASA-QPUJVOFHSA-N 287.165 -0.293 50 20 CBGD OC[C@@H](NCc1ccc(B(O)O)cc1F)C1CCC1 585045464 IGHCEHCGUOBFBQ-CYBMUJFWSA-N 267.109 -0.244 50 20 CBGD OB(O)c1ccc(CNC[C@@]2(O)C[C@H]3C=C[C@H]2C3)c(F)c1 585047079 GGEJPASKFOGHDN-WBIUFABUSA-N 291.131 -0.078 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)cc1F)C1(CO)CC1 585047918 XRCJPXXQCMFZMC-SECBINFHSA-N 267.109 -0.244 50 20 CBGD Cc1ccc(S(=O)(=O)NCB(O)O)cc1Cl 585054826 RTIPMKPHIRTJQE-UHFFFAOYSA-N 263.511 -0.061 50 20 CBGD Cc1cccc(C(=O)N[C@@H](C(=O)NCB(O)O)C(C)C)c1 585054908 UCCUZQNFQAHADT-GFCCVEGCSA-N 292.144 -0.122 50 20 CBGD CCc1c(C(=O)NCB(O)O)cnn1C(C)(C)C 585055974 LZUVFBMMWGOINF-UHFFFAOYSA-N 253.111 -0.058 50 20 CBGD O=C(CNC(=O)c1cccs1)NNC(=O)c1cnn[nH]1 725739221 AIJAQWKKWHHPMF-UHFFFAOYSA-N 294.296 -0.943 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cccnc1 728437249 OFSVUTUQAJAYRG-MRVPVSSYSA-N 270.314 -0.531 50 20 CBGD O=C(CN1CCCCC1=O)NNC(=O)NCC1CC1 729343940 KOQMKRSROWGNRY-UHFFFAOYSA-N 268.317 -0.261 50 20 CBGD COCCCNC(=O)NNC(=O)COC[C@@H]1CCCO1 733256579 UGTFEYGEUNPXQZ-JTQLQIEISA-N 289.332 -0.451 50 20 CBGD O=C(NNc1ncnc2[nH]cnc12)[C@H]1COCCO1 740746376 XPOVMYALMDMJPD-ZCFIWIBFSA-N 264.245 -0.789 50 20 CBGD CCCN(C)CC(=O)NNC(=O)C(=O)NC(C)C 741208353 YJJDDWYWNGRKCV-UHFFFAOYSA-N 258.322 -1.000 50 20 CBGD N#CC(C#N)=CNNC(=O)c1ccc(-n2cnnn2)cc1 747821859 MWQVSOSCQGCDRM-UHFFFAOYSA-N 280.251 -0.172 50 20 CBGD CC(C)CO[C@@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 748239723 LTOAFJNPGHNSJI-JTQLQIEISA-N 285.344 -0.183 50 20 CBGD Cn1ncc2cc(C(=O)NNC(=O)Cc3cc[nH]n3)cnc21 755269220 PQNGXRWTLPYSSU-UHFFFAOYSA-N 299.294 -0.305 50 20 CBGD COC(=O)CNC(=O)NN=C1CCS(=O)CC1 779822141 ADAKKETZFCVMRS-UHFFFAOYSA-N 261.303 -0.643 50 20 CBGD CCCNC(=O)NNS(=O)(=O)c1ccc(OC)nc1 795302375 ORLYSAHZJSDICZ-UHFFFAOYSA-N 288.329 -0.007 50 20 CBGD CC[C@](C)(OC)C(=O)NNC(=O)N1CCOCC1 797716385 QJALSARZHHXRJK-NSHDSACASA-N 259.306 -0.126 50 20 CBGD CN1CCN(C(=O)NNC(=O)Cc2ccncc2)CC1 811420567 BANQEUOHPSYVEL-UHFFFAOYSA-N 277.328 -0.388 50 20 CBGD Cc1cccnc1NNC(=O)[C@H](CO)NC(=O)C(C)C 813534802 HEDQXPVAVUVPRK-JTQLQIEISA-N 280.328 -0.034 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cnn(C)c1Cl 814900739 GKZZDNUGVFQNGH-UHFFFAOYSA-N 273.680 -0.120 50 20 CBGD CC(=O)N1CCCC[C@@H]1C(=O)NN(C)[C@@H](C)CO 823971201 QLYFIUBBJATXLI-GXSJLCMTSA-N 257.334 -0.269 50 20 CBGD CC[C@@](C)(CC(=O)O)NCC(=O)NNC(=O)C1CC1 828656905 ALIWHBMUNDFMID-LBPRGKRZSA-N 271.317 -0.223 50 20 CBGD C=CC(=O)NCCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843979466 OHEXFUCIWHOSBC-IUCAKERBSA-N 269.301 -0.749 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)n[nH]1 843980676 WDRVXCKPAVTQKQ-WPRPVWTQSA-N 266.301 -0.167 50 20 CBGD COCCCNC(=O)NNC(=O)C(C)(C)CNC(C)=O 845298816 QUKBETCRJGUEKL-UHFFFAOYSA-N 288.348 -0.484 50 20 CBGD Cc1cc(NNC(=O)CCn2ncn(C)c2=O)nc(C)n1 848371600 PSMJRWOLBMLLQM-UHFFFAOYSA-N 291.315 -0.478 50 20 CBGD N#Cc1ncn(CC(=O)NNC(=S)NCC2CCC2)n1 855090962 WHEBEZQBKRAESU-UHFFFAOYSA-N 293.356 -0.555 50 20 CBGD O=C(NCCN1CCSCC1)NNC(=O)c1cn[nH]c1 858274953 JNPMQPBCNFFICQ-UHFFFAOYSA-N 298.372 -0.598 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NOC2CCCCC2)N1 858374734 VEAVHBWYAWZSLI-VIFPVBQESA-N 284.316 -0.140 50 20 CBGD CC1(C)CC[C@@H]1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858456291 FKVZDDIJXSOZHQ-SFYZADRCSA-N 268.317 -0.216 50 20 CBGD C=CC(=O)N(C)CC(=O)NNC(=O)[C@H]1CCO[C@H]1C 862096338 XEQPLANCPRZWBE-IUCAKERBSA-N 269.301 -0.797 50 20 CBGD CNC(=O)CCCC(=O)NNC(=O)c1cn[nH]c1 862470840 LGVLYFYSHWSKJS-UHFFFAOYSA-N 253.262 -0.913 50 20 CBGD C[C@@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)c1cn[nH]c1 862473154 GLWLMVVMIKEFME-SSDOTTSWSA-N 281.316 -0.279 50 20 CBGD COCCOCC(=O)NNC(=O)CCCn1ccnc1 869910620 WISRLDQLQUKJMB-UHFFFAOYSA-N 284.316 -0.526 50 20 CBGD COC(=O)N(C)NC(=O)NCc1cnc(N(C)C)n1C 875355082 HKMUDGYYITURBD-UHFFFAOYSA-N 284.320 -0.102 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21 913433438 IEZLBEACDVBTRL-BKDNQFJXSA-N 270.285 -0.978 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)NCC(F)(F)F 920437149 QTRFPYQNDQNQLF-UHFFFAOYSA-N 282.222 -0.499 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1ccn(C(C)C)n1 1119733665 QCRAASGJAGJSBJ-UHFFFAOYSA-N 295.343 -0.322 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cnc[nH]1 1252056795 JZBDIRDEKDEPLH-UHFFFAOYSA-N 267.289 -0.525 50 20 CBGD C[C@@H](O)C(=O)NNC(=O)c1nnc(O)c2ccccc12 1255558065 ZYYYLSLGCLXAJK-ZCFIWIBFSA-N 276.252 -0.523 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CCCN(C)C1=O 1261786594 LRUQPVFRBFLYLW-IVZWLZJFSA-N 298.343 -0.637 50 20 CBGD Cc1cc(CC(=O)NN=Cc2cn(CC(=O)O)nn2)n[nH]1 1319246069 UCXPTGKXMYCOPA-UHFFFAOYSA-N 291.271 -0.913 50 20 CBGD CN1CCN(c2ncc(C=NNC(=O)CCO)cn2)CC1 1320194119 VUDYWXQDMJPRLU-UHFFFAOYSA-N 292.343 -0.939 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 1326745390 XKGRAKRCLGZZKQ-UWVGGRQHSA-N 298.343 -0.493 50 20 CBGD CCn1ncnc1C=NNC(=O)[C@@H](C)OCCOC 1326783688 DILJUYBLLOAMBP-SECBINFHSA-N 269.305 -0.200 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCc2cccnc21 1327735704 SBBSJUIQOPEJTE-SNVBAGLBSA-N 290.323 -0.217 50 20 CBGD C[C@@H]1CC[C@H](C(=O)O)CN1CC(=O)NNC(=O)C1CC1 1329419558 DLNYJRQSOQCGKV-SCZZXKLOSA-N 283.328 -0.271 50 20 CBGD CN(C)[C@H](C(=O)NNc1cccnn1)c1cncn1C 1331424296 FBSMUKZKAZJSAY-NSHDSACASA-N 275.316 -0.044 50 20 CBGD Cc1nnc2n1C[C@@H](C(=O)NNC(=O)C1CC1)CC2 1335285151 CKXRWRQRXFPFNE-VIFPVBQESA-N 263.301 -0.294 50 20 CBGD Cc1nnc2n1C[C@@H](C(=O)NNC(=O)C(C)(C)O)CC2 1339157620 BSFUQHIOGWQPAL-QMMMGPOBSA-N 281.316 -0.933 50 20 CBGD Cc1cnc(CCNC(=O)NNC(=O)c2cn[nH]c2)cn1 1351354460 YRXPHSHTMOBPJF-UHFFFAOYSA-N 289.299 -0.305 50 20 CBGD N[C@@H]1[C@@H](C(=O)NNC(=O)c2cnsn2)[C@H]2C=C[C@H]1C2 1574284152 IZGPRITVWBXNQC-XRRXOLGASA-N 279.325 -0.552 50 20 CBGD N[C@@H]1C[C@H](C(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)[C@H]2C[C@H]21 1580401644 PSDAOTVNLYYSEB-XPRWRABFSA-N 279.340 -0.315 50 20 CBGD C[C@@]1(C(=O)NNC(=O)[C@@H](C(=O)O)C2CC2)CCCO1 1589181601 OXCKQFNOUXZJHL-UFBFGSQYSA-N 270.285 -0.186 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CC[C@@H]1C(=O)O 1589415641 KJJHKMRNLZGODR-BGZDPUMWSA-N 270.285 -0.330 50 20 CBGD O=C(NCC1(C(=O)O)CCCC1)NNC(=O)c1cn[nH]c1 1601470194 BJLDDQLYFKEOQK-UHFFFAOYSA-N 295.299 -0.001 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)[C@H]1C[C@H]1C(=O)O 1601556279 VOSZASLRKZZOPM-XLPZGREQSA-N 256.258 -0.576 50 20 CBGD O=C(O)Cc1occc1C(=O)NNC(=O)c1ncon1 1602155190 JHVRHNZLUOWOHA-UHFFFAOYSA-N 280.196 -0.636 50 20 CBGD Cc1cc(C)nc(NNC(=O)NCC(=O)N(C)C)n1 43715639 HRBHTLAISODSJV-UHFFFAOYSA-N 266.305 -0.192 50 20 CBGD CN(C)C(=O)CNC(=O)NNC(=O)Cc1ccccc1F 66908136 NZCGHPPFONNADF-UHFFFAOYSA-N 296.302 -0.213 50 20 CBGD C[C@@H]1OCCN(CC(=O)NNC(=O)C2CC2)[C@@H]1C 139206081 PKDFVOQSEGQBFJ-BDAKNGLRSA-N 255.318 -0.347 50 20 CBGD O=C(CO)N1CCN(S(=O)(=O)CCCCCl)CC1 184482664 NFOYSBKFHOZBJT-UHFFFAOYSA-N 298.792 -0.528 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H](C)n2cccn2)[nH]n1 269075771 UYPSWXXQXZOBDO-QMMMGPOBSA-N 262.273 -0.063 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cnc2c(c1)NC(=O)CO2 272669028 JZIUNPYOAMCSFN-UHFFFAOYSA-N 293.283 -0.281 50 20 CBGD CN(C)CCN1C[C@@H](C(=O)NNc2cnccn2)CC1=O 274713746 BFHXUEMECLYQFM-JTQLQIEISA-N 292.343 -0.670 50 20 CBGD Cc1ncc(NC(=O)NNC(=O)CN(C)C)cn1 274799339 QKSIVDOYOQYFRH-UHFFFAOYSA-N 252.278 -0.501 50 20 CBGD COC(=O)C[C@H](C)CC(=O)NNC(=O)CN(C)C 289904102 XRCZGWXZDOWKJM-MRVPVSSYSA-N 259.306 -0.715 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 366020100 ZOOUBBHWAJCYSP-XHNCKOQMSA-N 256.302 -0.280 50 20 CBGD CCN1CCOC[C@H]1C(=O)NN=c1cc[nH]cc1 368084818 HSICPHXGKKZZOU-NSHDSACASA-N 250.302 -0.333 50 20 CBGD O=C(C[C@H]1CCS(=O)(=O)C1)Nc1cccc(B(O)O)c1 404933181 AWSNAYWFMYBETH-SECBINFHSA-N 297.141 -0.870 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@@H]1N(C)C 584956350 WFBCBUAAYGQVTC-RNCFNFMXSA-N 294.135 -0.472 50 20 CBGD C=CCO[C@@H](C)CNC(=O)c1cc(B(O)O)ccc1F 584987793 ZIZQEVONTXYXMW-VIFPVBQESA-N 281.092 -0.174 50 20 CBGD CN(C(=O)c1cc(B(O)O)ccc1F)[C@@H]1CCCOC1 584988413 MYWAOLYEMKENPW-SNVBAGLBSA-N 281.092 -0.244 50 20 CBGD O=C(NCB(O)O)[C@@H]1C[C@]12CCOc1ccccc12 585060385 PXAHBGQAJCGLAS-GWCFXTLKSA-N 261.086 -0.145 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CCCS(C)(=O)=O 731183932 XSBHGHGJPWPFAP-UHFFFAOYSA-N 287.341 -0.389 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)Sc1nc(N)n[nH]1 735413919 RFSQOPJCYOSUPX-BYPYZUCNSA-N 258.307 -0.575 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCCOC2)cn1 735446323 OOOJKENTCASSDL-QMMMGPOBSA-N 252.274 -0.392 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)C[C@H]1CCCCO1 740811405 FZBOIHFCGXPWCZ-MRVPVSSYSA-N 265.335 -0.339 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCc3c[nH]nc3C2)cn1 742688275 URWVVTYESQLKHY-MRVPVSSYSA-N 288.311 -0.291 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)C)[C@H]1CCOC1 744398657 XOXNEXOOVCIXCN-VIFPVBQESA-N 257.334 -0.099 50 20 CBGD COC[C@@H](C)NC(=S)NNC(=O)C(=O)NC(C)C 747756415 CIYZPNYSSNHGFA-SSDOTTSWSA-N 276.362 -0.959 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H](C)S(C)(=O)=O)o1 752781209 JRRQHAWYECXTAB-ZETCQYMHSA-N 274.298 -0.218 50 20 CBGD Cc1oc(-c2cnn(C)c2)nc1C(=O)NNC(=O)CO 753436724 BYYSNLJLQFADLY-UHFFFAOYSA-N 279.256 -0.863 50 20 CBGD C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)CO 753453012 VWDUBYSRHQVMKG-WRWORJQWSA-N 266.253 -0.645 50 20 CBGD Cn1c(C(=O)NNC(=O)Cc2cc[nH]n2)ccc1[N+](=O)[O-] 755283462 YAVPQBAPWJSDCV-UHFFFAOYSA-N 292.255 -0.340 50 20 CBGD CCN(CC)CCC(=O)NN=Cc1cn(C)nn1 755579059 KTSBNFHCPKBJQW-UHFFFAOYSA-N 252.322 -0.003 50 20 CBGD C[C@H]1CN(C2CC2)CC1=NNC(=O)C(=O)NC1CC1 755893288 ZBFVPQKILFQCHI-QMMMGPOBSA-N 264.329 -0.149 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNC(=O)c1ccccn1 767165007 XPAPNVBAULRSHL-NSHDSACASA-N 278.312 -0.437 50 20 CBGD CC(=NNC(=O)C(=O)NC1CC1)c1cc(C(N)=O)n(C)c1 767228008 KBOXSEXFXGKXSS-UHFFFAOYSA-N 291.311 -0.757 50 20 CBGD O=C(NNC(=O)[C@@H]1CN2CCCN1CC2)c1ccncc1 769535664 PSRFGHXMQGXPEA-LBPRGKRZSA-N 289.339 -0.768 50 20 CBGD CCOc1ccc(OCC(=O)NNC(=O)CO)cc1 777781306 MILCHDOSNSVSDM-UHFFFAOYSA-N 268.269 -0.396 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)CC1(C#N)CC1 782478959 WCYPCVNAAFUIRM-UHFFFAOYSA-N 260.319 -0.214 50 20 CBGD CO[C@@H](C)C(=O)NNc1ccccc1S(N)(=O)=O 788230816 YNOZGPJPFLLFDG-ZETCQYMHSA-N 273.314 -0.188 50 20 CBGD CC(=O)N1CC(C(=O)NNc2ncc(F)cn2)C1 788522093 VPTRTTVBSBZIOT-UHFFFAOYSA-N 253.237 -0.463 50 20 CBGD CN1CCN(C)[C@H](CNC(=O)NNc2ncncc2F)C1 814299915 DPMDMWRNGPGZQN-SECBINFHSA-N 297.338 -0.512 50 20 CBGD CN1C(=O)CC[C@@H]1CC(=O)NNC(=O)NCC1CC1 823805000 WUYXGVIMKXNUON-SECBINFHSA-N 268.317 -0.262 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1COCCN1CC(F)(F)F 823884991 RGDCNPURZXIARW-VIFPVBQESA-N 299.293 -0.405 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cc(Cn2cccn2)on1 823922214 JIKCGQJOHUCPPO-VIFPVBQESA-N 279.300 -0.123 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NNC(=O)C(C)(C)C 825965512 YGYPPZNHKSSDGE-YUMQZZPRSA-N 286.332 -0.181 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCCN(C)C(=O)O)n[nH]1 829957021 SHAZCCRYJPMSGT-UHFFFAOYSA-N 283.288 -0.131 50 20 CBGD NCCOCC(=O)NNc1nc(-c2cccnc2)no1 831890750 WPAWGQQNKQUCII-UHFFFAOYSA-N 278.272 -0.450 50 20 CBGD CC(CS(C)(=O)=O)=NNC(=O)[C@H]1CCO[C@H]1C 842558309 SCCXHXNDJHZITG-IUCAKERBSA-N 262.331 -0.052 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(CNC)CC1 843351580 QARACPWXNWRPRZ-JTQLQIEISA-N 270.377 -0.136 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)COC1CCOCC1 843650308 AZAUNSUEYURDFL-ONGXEEELSA-N 286.328 -0.246 50 20 CBGD C[C@@H](NNC(=O)Cn1cccnc1=O)C(F)(F)F 862306949 GLGSXYRRJYPZHU-ZCFIWIBFSA-N 264.207 -0.185 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccnc(F)c2)N1 862454670 WXNGVIRYSWTZCP-ZETCQYMHSA-N 266.232 -0.740 50 20 CBGD COCC1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCCC1 862460688 KBMHULOQNWNELV-VIFPVBQESA-N 283.328 -0.381 50 20 CBGD CC(C)[C@@]1(C)C[C@H]1C(=O)NNC(=O)CS(C)(=O)=O 863464545 IPTMBDMZEIVJPO-GZMMTYOYSA-N 276.358 -0.139 50 20 CBGD COCCCn1cc(C(=O)NNC(=O)OC)cn1 863854772 ZFZGOQUAAHFAEK-UHFFFAOYSA-N 256.262 -0.080 50 20 CBGD CCCN1CCC[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)C1 905361082 FDENKDMJJHKBED-LLVKDONJSA-N 298.387 -0.220 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc(F)cc2)N1 912794880 VLXIXPSKJHYSHQ-SECBINFHSA-N 265.244 -0.135 50 20 CBGD CC#CCCCC(=O)NNC(=O)CN1CCCC1=O 913732483 YDGUZTFLIGCKHH-UHFFFAOYSA-N 265.313 -0.050 50 20 CBGD Cc1ncc(C(=O)NNC(=O)C2CCOCC2)n1C 923049111 LIRHOFBMTGLBDB-UHFFFAOYSA-N 266.301 -0.084 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@H](C)c1ncnn1C 1116752118 HMEXXYISFIWYMD-SSDOTTSWSA-N 254.294 -0.138 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CCc2nnnn2CC1 1118712685 FFRIUIIBENYDNJ-ZETCQYMHSA-N 283.361 -0.907 50 20 CBGD O=C(/C=C/[C@@H]1CCOC1)NNC(=O)[C@@H]1CCC(=O)N1 1118884225 COANHOVXXHIDIE-XKAWMOSTSA-N 267.285 -0.995 50 20 CBGD O=C(CCC(F)(F)F)NNC(=O)[C@H]1CCC(=O)N1 1118943200 LPGXWMPDSYYMPR-RXMQYKEDSA-N 267.207 -0.245 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1317708182 BQHXDXMQNBVITM-QMMMGPOBSA-N 285.325 -0.779 50 20 CBGD Cc1cc(NNC(=O)[C@H]2CCS(=O)(=O)C2)ncn1 1318617318 REWXXYMAYKUHIG-QMMMGPOBSA-N 270.314 -0.337 50 20 CBGD CCc1nn(C)cc1C(=O)NNC(=O)C(=O)NC1CC1 1319853921 KFNQFDVNNSBHMH-UHFFFAOYSA-N 279.300 -0.978 50 20 CBGD C[C@H](O)c1ncc(C=NNC(=O)C(=O)NC2CC2)s1 1320995465 SJBWBMGCVKBUHU-LURJTMIESA-N 282.325 -0.075 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)Cc1cccc(O)c1 1324738373 XPKXRBMJSBKUEB-QMMMGPOBSA-N 295.295 -0.173 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)Cc2cccnc2)CN1 1326379019 BOFVJZIIQHICMG-JTQLQIEISA-N 276.296 -0.702 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)N2CCS(=O)(=O)CC2)cn1 1326413921 UFTWXAMUXJLXMY-WDZFZDKYSA-N 294.336 -0.416 50 20 CBGD COCCCn1cc(C(=O)N2CC[C@H](B(O)O)C2)cn1 1329292914 NKQSTOMIVXPVMM-NSHDSACASA-N 281.121 -0.392 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ncccc2F)N1 1329531630 VSDTZCZJDKCTPF-SSDOTTSWSA-N 266.232 -0.740 50 20 CBGD CCc1cnc(CNC(=O)NNC(=O)C(=O)OC)s1 1330490756 XDTYUMKCYBBENT-UHFFFAOYSA-N 286.313 -0.291 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cn(C)nn1 1332574829 XPLMYTRZHSVRIZ-IONNQARKSA-N 282.304 -0.930 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C 1337146199 OJULLDAGTRGGEW-UHFFFAOYSA-N 283.309 -0.465 50 20 CBGD O=C(CCn1cncn1)NNC(=O)Cc1cccnc1 1338562563 RFKAWMIYGDIOAZ-UHFFFAOYSA-N 274.284 -0.547 50 20 CBGD CCS(=O)(=O)CC(=O)NNc1nncc(N)c1Cl 1340554006 HEKBJUDNWZVEET-UHFFFAOYSA-N 293.736 -0.410 50 20 CBGD CC1(C)CN[C@H]1C(=O)NNC(=O)Cc1cccnc1 1573614327 IUGYANPTORIGSE-NSHDSACASA-N 262.313 -0.231 50 20 CBGD CN1C(=O)CCC[C@H]1C(=O)NNC(=O)CCCCCN 1578513419 SXYFQWJTVALXBU-JTQLQIEISA-N 284.360 -0.336 50 20 CBGD CO[C@@H](C(=O)NNC(=O)CCCN)C(=O)OC(C)(C)C 1578890914 DFEKGZSGDRVTEC-VIFPVBQESA-N 289.332 -0.771 50 20 CBGD NCCC(=O)NNC(=O)[C@@H]1CCN(c2ccncc2)C1 1580281891 WSIXCEODPDQKDM-SNVBAGLBSA-N 277.328 -0.596 50 20 CBGD NCCCC(=O)NNC(=O)C1=C[S@](=O)CCC1 1580289675 XMOVKWGRUZYQLC-QGZVFWFLSA-N 259.331 -0.701 50 20 CBGD O=C(Cc1ccsc1)NNC(=O)C[C@]1(O)CCCNC1 1580576622 QMEYBYSJVCZTHV-CYBMUJFWSA-N 297.380 -0.057 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCCC[C@H]1C(=O)O 1588799636 XETJYVXRDXAKTN-VIFPVBQESA-N 271.317 -0.271 50 20 CBGD CC[C@H](CNC(=O)NNC(=O)c1cnn(C)c1)C(=O)O 1589539672 WRKCNZVLPXSRON-SSDOTTSWSA-N 283.288 -0.525 50 20 CBGD CC(C)C(=O)NNC(=O)CN(CC(=O)O)C1CC1 1590939954 IBBVSMMJILXKMR-UHFFFAOYSA-N 257.290 -0.661 50 20 CBGD O=C(NNC(=O)c1ncccn1)N[C@H]1C[C@H](C(=O)O)C1 1594780137 KBCGWJSWXOSCEA-LJGSYFOKSA-N 279.256 -0.716 50 20 CBGD CN(C)CC(=O)NN=Cc1cc(C(=O)O)n(C)c1 1598197167 XAZWGEVESDLCHQ-UHFFFAOYSA-N 252.274 -0.265 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1601371665 XUVHXWGFQHQCCN-ZJUUUORDSA-N 293.279 -0.596 50 20 CBGD C[C@](CC(=O)O)(NC(=O)c1ccc(B(O)O)cc1)C1CC1 1604085946 NZPGOMRFZOIWGX-CQSZACIVSA-N 291.112 -0.260 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@@H]1CCCO1 1606858502 ULEFSFMATQKOBS-QMMMGPOBSA-N 275.272 -0.116 50 20 CBGD CN(C)C1(CNC(=O)NNC(=O)C(=O)O)CCCCC1 1610097698 OODHNHWJHKMXPE-UHFFFAOYSA-N 286.332 -0.334 50 20 CBGD COC(=O)C(=O)NN[C@@H](C(=O)O)c1cccnc1 1610149800 PZSOTXHHELUDNA-SSDOTTSWSA-N 253.214 -0.999 50 20 CBGD NC(=O)c1ccc(C(=O)NNc2ncccn2)cn1 49422463 MKLVKLGMFASRPG-UHFFFAOYSA-N 258.241 -0.273 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)c2cn[nH]n2)cc1 80209164 QYYQVHZUVWTEAH-UHFFFAOYSA-N 275.268 -0.047 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(CC)CC1 111191764 BJQHZXXQCHEZNP-JTQLQIEISA-N 256.350 -0.430 50 20 CBGD CC1(C)C(=O)NCCN1S(=O)(=O)CBr 126718997 DNYXLHZHCQJEEW-UHFFFAOYSA-N 285.163 -0.121 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCN(C)C(=O)C2)[nH]n1 153345145 SZZFKMDCQNQADG-MRVPVSSYSA-N 279.300 -0.652 50 20 CBGD C[C@@H](NC(=O)c1cccs1)C(=O)NN(C)C(N)=O 181086779 ODLKEIAWGACVBE-ZCFIWIBFSA-N 270.314 -0.092 50 20 CBGD CN(C)c1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 255949206 IVBXTOKRCIJRLZ-LLVKDONJSA-N 290.323 -0.208 50 20 CBGD CO[C@@H](C)CCNC(=O)NNC(=O)C(=O)N1CCCC1 263731691 IGFBATZYLJFYLL-VIFPVBQESA-N 286.332 -0.636 50 20 CBGD O=C(NNC(=O)[C@H]1COCCO1)c1cccc(Cl)n1 266734223 XZFFCTVZUILRMX-MRVPVSSYSA-N 285.687 -0.089 50 20 CBGD C=CCNC(=S)NNC(=O)COCCCOC 271764456 BQWUVRJMKKZNPB-UHFFFAOYSA-N 261.347 -0.279 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2CC(=O)N(C)C2)n1 298264899 AHLJXFLOJBADQJ-SSDOTTSWSA-N 265.273 -0.593 50 20 CBGD CCOC(=O)NCC(=O)NNC(=O)Cn1nc(C)cc1C 298429274 MFFVPUSDPWVYIA-UHFFFAOYSA-N 297.315 -0.607 50 20 CBGD CCCS(=O)(=O)CC(=O)NNC(=O)c1cccn1C 299132911 NXRDUCKNNBUXJJ-UHFFFAOYSA-N 287.341 -0.389 50 20 CBGD CCO/C=C(\C#N)C(=O)NC[C@H]1CC(C(N)=O)=NO1 490692995 IBCHQCQVUPJERO-HYDMIIDASA-N 266.257 -0.823 50 20 CBGD COC(=O)NNC(=O)Nc1ccnn1CCN(C)C 497067160 XABXBYLEVYZPFO-UHFFFAOYSA-N 270.293 -0.163 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)C12CCCN1CCC2 584914185 RJJVJGVRMPXXCR-UHFFFAOYSA-N 274.129 -0.067 50 20 CBGD CC(C)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)C1 584939379 LMXNHQDOCHVFTK-LBPRGKRZSA-N 290.172 -0.174 50 20 CBGD CC[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@@H]1O 584967292 IOTHKXPVAWGPRZ-PELKAZGASA-N 281.092 -0.652 50 20 CBGD CO[C@]1(C)CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584997609 GQRLEOZLKWBKKO-CYBMUJFWSA-N 281.092 -0.244 50 20 CBGD C[C@@]1(CNC(=O)c2cccc(B(O)O)c2)CCC(=O)NC1 585002864 CMNBOHQCIZEIOB-CQSZACIVSA-N 290.128 -0.988 50 20 CBGD CCCN1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC1=O 585003600 UZIMVKNPZOCYSN-LBPRGKRZSA-N 290.128 -0.893 50 20 CBGD CCn1cc(CNC(=O)c2cc(B(O)O)ccc2F)nn1 585006301 CTEOVOBTEUBWOJ-UHFFFAOYSA-N 292.079 -0.953 50 20 CBGD CNC(=O)[C@@H]1CCCC[C@@H]1NCc1cccc(B(O)O)c1 585029362 FWXVORRJLPOFBD-KGLIPLIRSA-N 290.172 -0.239 50 20 CBGD COc1ccc(C(=O)NNC(=O)c2cnn(C)c2)cn1 735445821 AWAJFJZYJVTJBU-UHFFFAOYSA-N 275.268 -0.102 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC2(C1)OCCO2 741779061 HYPHZNDTKMXTRS-VIFPVBQESA-N 271.317 -0.619 50 20 CBGD COC[C@@H](C)CC(=O)NNC(=O)C(=O)NC(C)C 755063546 NIHIIXWCGKYVAL-QMMMGPOBSA-N 259.306 -0.669 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CCNC(=O)C1 760304882 PJLLTNWQOBTYPT-MRVPVSSYSA-N 264.285 -0.688 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)c(O)n1 764143625 WSQHJNOBLSWWSP-UHFFFAOYSA-N 292.295 -0.018 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(CC)CC(=O)N(C)C 764192442 NSUKYSQGRLMQGR-SECBINFHSA-N 272.349 -0.658 50 20 CBGD CC(=O)N1CCc2cc(C(=O)NNC(=O)CO)ccc21 777782041 VHVGEWIODDVANE-UHFFFAOYSA-N 277.280 -0.651 50 20 CBGD CNC(=O)NNC(=O)c1c(N)cccc1[N+](=O)[O-] 779482525 SUPSHVXGPKUJCS-UHFFFAOYSA-N 253.218 -0.249 50 20 CBGD C[C@@H](Oc1ccc(C=NNC(=O)CO)cc1)C(=O)O 794923034 VUEJLNQYPDTBIP-MRVPVSSYSA-N 266.253 -0.019 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CCN(C)C1=O 798305461 PZEAGZBRKVWDSS-SSDOTTSWSA-N 256.331 -0.854 50 20 CBGD N#CCNC(=O)CNC(=O)NNc1cccc(C#N)c1 807552345 WJSWXNNBOHMCLU-UHFFFAOYSA-N 272.268 -0.176 50 20 CBGD C=CCC(F)(F)C(=O)NNC(=O)C(=O)NC1CC1 814799239 ZUEZNUSFPXFQEJ-UHFFFAOYSA-N 261.228 -0.376 50 20 CBGD CCN(CCO)NC(=O)c1c(OC)ncnc1OC 823856749 YRMDGJPGFGJORU-UHFFFAOYSA-N 270.289 -0.547 50 20 CBGD CCN(CCO)NC(=O)c1cn(Cc2ccccn2)nn1 823865355 OLRDSZMDENIXKF-UHFFFAOYSA-N 290.327 -0.320 50 20 CBGD CCN(CCO)NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 823869423 IYEGPGRYCISXQE-SECBINFHSA-N 295.405 -0.704 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@](C)(C(=O)O)C1 828570434 DUOTZFACRXGRRE-PELKAZGASA-N 271.317 -0.271 50 20 CBGD COCCS(=O)(=O)NNC(=O)[C@H]1CCO[C@H]1C 842591869 GVXRCXQNYFKOPH-YUMQZZPRSA-N 266.319 -0.992 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@]1(C)CCOC1 843657824 QHAGLTZNTFTCPY-AUTRQRHGSA-N 256.302 -0.015 50 20 CBGD CNC(=O)CCCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843974255 BWSASWMQJUMKLZ-IUCAKERBSA-N 271.317 -0.525 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cn2cccnc2n1 843976763 YWUNXWKLTFNHPW-BDAKNGLRSA-N 289.295 -0.085 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)C(=O)NC1CC1 854386144 KKULOJGTOIKSNI-UHFFFAOYSA-N 287.316 -0.798 50 20 CBGD CCC[C@@H](OCC)C(=O)NNC(=O)C(=O)NC(C)C 858168613 YZXMFBVXEMKOSJ-SECBINFHSA-N 273.333 -0.136 50 20 CBGD C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1cn[nH]c1 858516766 MEEASMNONRPPFV-BDAKNGLRSA-N 265.273 -0.303 50 20 CBGD Cc1nsc(C)c1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862460568 GAUQHZDFYGJEGM-ZETCQYMHSA-N 282.325 -0.200 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2C[C@H]2C2CCC2)N1 862461217 OHHCKDAWVKQXRP-IVZWLZJFSA-N 265.313 -0.151 50 20 CBGD CC1=C(C(=O)NNC(=O)CS(C)(=O)=O)SCCO1 863465736 FARDSRUQKJTTJO-UHFFFAOYSA-N 294.354 -0.827 50 20 CBGD OB(O)c1ccccc1CN[C@H]1CCN(CC(F)F)C1 863889840 JQRDYPDYKUHVNR-NSHDSACASA-N 284.115 -0.205 50 20 CBGD CCC[C@H](O)CC(=O)NNC(=O)COCCOC 869908460 NWJSXEUQXDBGAA-VIFPVBQESA-N 262.306 -0.652 50 20 CBGD COC(=O)N(C)NC(=O)N[C@H]1C[C@H](C(=O)OC)C1 875755197 GQYOUVUJBOEERG-LJGSYFOKSA-N 259.262 -0.150 50 20 CBGD CN(C)C1(c2nc(-c3cccc(B(O)O)c3)no2)CC1 896943443 GGFXIBIPOVBUTO-UHFFFAOYSA-N 273.101 -0.033 50 20 CBGD COC(=O)CC(=O)NNC(=O)NCC(F)(F)F 907968942 YRBOUGXWUHSXKO-UHFFFAOYSA-N 257.168 -0.558 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CNC(=O)N1CCCC1 911447265 KYIXVVASTPXGJT-VIFPVBQESA-N 258.322 -0.864 50 20 CBGD Cc1nnc(NNC(=O)[C@@H](C)OC[C@H]2CCCO2)nc1O 921074635 VEJLRLKPIVPCJN-RKDXNWHRSA-N 297.315 -0.087 50 20 CBGD NC(=O)Cc1occc1C(=O)NNC(=O)C1CC1 1117102498 HPOGIVPIEXQGCI-UHFFFAOYSA-N 251.242 -0.522 50 20 CBGD CCN(CC(=O)NNC(=O)C1CC1)[C@@H](C)C(=O)O 1118507410 WBSHAVGQJOTYDW-ZETCQYMHSA-N 257.290 -0.661 50 20 CBGD CO[C@@]1(CNC(=O)NNC(=O)c2cn[nH]c2)CCOC1 1119083419 GCOJJYCUFMAYKI-LLVKDONJSA-N 283.288 -0.841 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@](O)(CC#N)C1 1261458056 JLMZZNRXVBNQAK-GFCCVEGCSA-N 268.317 -0.860 50 20 CBGD C[C@H](C(=O)NNc1cccnn1)N1C(=O)CCC1=O 1320064319 RGNJTFAGNUSNFC-SSDOTTSWSA-N 263.257 -0.543 50 20 CBGD CN(NC(=O)c1ccc(NC(N)=O)cc1)C(N)=O 1323535796 XTKLDVFSJGASSH-UHFFFAOYSA-N 251.246 -0.168 50 20 CBGD Cc1csc(=O)n1CCC(=O)NNc1cnnn1C 1324569134 XHFDNQFRCWHTIT-UHFFFAOYSA-N 282.329 -0.120 50 20 CBGD CNC(=O)NNC(=O)c1ccn(CCN(C)C)n1 1326743307 IZLCMMFEBARLCL-UHFFFAOYSA-N 254.294 -0.982 50 20 CBGD COc1ccnc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)n1 1328379137 OEFMRCPAMZHHAV-MRVPVSSYSA-N 298.324 -0.630 50 20 CBGD O=C(/C=C\C1CCOCC1)NNC(=O)[C@@H]1CCC(=O)N1 1329077268 ASHNVJGTEWCBNG-OODOAVRDSA-N 281.312 -0.605 50 20 CBGD Cc1cnccc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1330505732 WREUWUVECGXFNO-SECBINFHSA-N 297.336 -0.414 50 20 CBGD COc1cccc(C[C@H](O)C(=O)NN(C)[C@H](C)CO)c1 1330878693 FXAOMASTGKSTFC-MFKMUULPSA-N 282.340 -0.058 50 20 CBGD Cn1cncc1C(=O)NNC(=O)C1CCOCC1 1331925261 QFTHINSQSJIHHT-UHFFFAOYSA-N 252.274 -0.392 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cn1 1337973370 BTPOIWCQHMANSZ-UHFFFAOYSA-N 279.300 -0.962 50 20 CBGD COC(=O)C1(C(=O)NNC(=O)Cc2cc[nH]n2)CC1 1338058460 WVPANYGEIFWPSA-UHFFFAOYSA-N 266.257 -0.947 50 20 CBGD O=C(c1cccc(-n2cccn2)n1)N1CC[C@H](B(O)O)C1 1351729127 MWOVXDFZUOZFKQ-JTQLQIEISA-N 286.100 -0.044 50 20 CBGD CC(C)NC(=O)NNC(=O)c1ccn(CCCN)n1 1575709861 ZUSDPTRWEQPTGH-UHFFFAOYSA-N 268.321 -0.416 50 20 CBGD CC[C@H](C)C[C@H](N)C(=O)NNC(=O)C(=O)NC(C)C 1576984182 WCEBIIDFSIVGEC-IUCAKERBSA-N 272.349 -0.578 50 20 CBGD CN(NC(=O)CCCn1ccnc1)C(=O)N1CCNCC1 1578506721 VQUQTMHVYUGNEE-UHFFFAOYSA-N 294.359 -0.349 50 20 CBGD C[C@@H](O)[C@H](N)C(=O)NNc1nccnc1C1CCC1 1579419981 NFUHONKLFKRWIU-APPZFPTMSA-N 265.317 -0.105 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCC[C@@H](C(=O)O)C2)nn1 1600933209 XUTBNRSMCTXLGT-HTQZYQBOSA-N 295.299 -0.533 50 20 CBGD CC[C@H](C)[C@H](NNC(=O)[C@@H]1CCC(=O)N1)C(=O)O 1604947235 QLTLSLXHIQQCAX-ZKWXMUAHSA-N 257.290 -0.615 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc(C(=O)O)n1C 1606002373 YDOPVXGPCZBXBR-UHFFFAOYSA-N 254.246 -0.361 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@H]2CC[C@@H](C(=O)O)O2)n[nH]1 1607636965 YWQYNBRMXQCPJR-BDAKNGLRSA-N 296.283 -0.960 50 20 CBGD NC(=O)[C@H](Cc1ccc(Cl)cc1)NNC(=O)C(=O)O 1608226870 FVXZWQXWBATRTK-QMMMGPOBSA-N 285.687 -0.558 50 20 CBGD Cc1n[nH]c(SCC(=O)NNC(=O)c2cnn(C)c2)n1 266904831 QOJRXTCXEBDBAU-UHFFFAOYSA-N 295.328 -0.600 50 20 CBGD Cc1cc(C(=O)NNC(=O)C2=COCCO2)[nH]n1 268831303 MIFFPBJOGKQUEB-UHFFFAOYSA-N 252.230 -0.633 50 20 CBGD CNC(=O)CCCC(=O)NNC(=O)c1ccccn1 272978850 LRARFCINZHRCIA-UHFFFAOYSA-N 264.285 -0.241 50 20 CBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@H](C)O 274374791 LFPXRJWPUXYJTL-ZETCQYMHSA-N 288.325 -0.077 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCNC(=O)c1ccco1 276180768 CLZMVGTUFMBRJZ-UHFFFAOYSA-N 283.284 -0.682 50 20 CBGD C[C@H](Cn1ccnc1)NC(=O)NNC(=O)[C@@H]1CCCO1 291583313 GNXFOOGCXNCYGY-ZJUUUORDSA-N 281.316 -0.219 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](O)C(C)C 291733437 CIIPASYIRNCZBS-VIFPVBQESA-N 273.333 -0.545 50 20 CBGD CC(C)[C@@H](CCO)NC(=O)c1cccc(B(O)O)c1 584959124 XXMBOWWMAYILAW-GFCCVEGCSA-N 265.118 -0.497 50 20 CBGD CC[C@@H](CCO)NC(=O)c1ccc(B(O)O)cc1 584962882 LRLQWLNHNPDZSB-NSHDSACASA-N 251.091 -0.743 50 20 CBGD CN(C(=O)c1cccc(B(O)O)c1)[C@H]1CCSC1 584967408 VABKDKXTRGYJDW-NSHDSACASA-N 265.143 -0.056 50 20 CBGD O=C(NC1CCS(=O)CC1)c1cc(B(O)O)ccc1F 584970332 WUZAMJBWSVAVGC-UHFFFAOYSA-N 299.132 -0.854 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)CC[C@@H]1O 584973049 DAVQHEFYEBJXFG-SKDRFNHKSA-N 263.102 -0.791 50 20 CBGD C[C@H]1[C@@H](N(C)C)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584991473 AZNBOGONAFGDFI-ZANVPECISA-N 294.135 -0.330 50 20 CBGD CS[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584995982 UBXFENVHUAUSSJ-LLVKDONJSA-N 265.143 -0.056 50 20 CBGD N#CCC1CN(C(=O)c2ccc(B(O)O)c(F)c2)C1 585007066 UUPOUDUSYMMXOC-UHFFFAOYSA-N 262.049 -0.509 50 20 CBGD CSCC[C@@H](CO)NCc1ccccc1B(O)O 585029644 IFBYSTMJXWRVHV-NSHDSACASA-N 269.175 -0.430 50 20 CBGD OC[C@H]1C=C[C@@H](NCc2ccc(B(O)O)cc2F)C1 585034630 RXZFDYNODLWDAO-JOYOIKCWSA-N 265.093 -0.468 50 20 CBGD CCO[C@@H]1C[C@H](NCc2ccccc2B(O)O)[C@H]1OC 585035790 YTVAEBRJGQUYLA-BFHYXJOUSA-N 279.145 -0.352 50 20 CBGD CC(C)(CNCc1cccc(B(O)O)c1)OCCO 585041834 WEOMPGGWBLHHRL-UHFFFAOYSA-N 267.134 -0.757 50 20 CBGD OCCCN1CCC[C@@H]1CNCc1cccc(B(O)O)c1 585043246 JTUATPBDQJQELX-OAHLLOKOSA-N 292.188 -0.697 50 20 CBGD Cn1nnc2c1CC[C@H](NCc1ccc(B(O)O)cc1)C2 585045083 BBKNHNOZNCNKJM-LBPRGKRZSA-N 286.144 -0.858 50 20 CBGD CC(C)(C(=O)N1CC[C@H](B(O)O)C1)n1cc([N+](=O)[O-])cn1 585070663 CABIEZPSWUNWOK-QMMMGPOBSA-N 296.092 -0.398 50 20 CBGD CCCS(=O)(=O)CC(=O)NNc1cnccn1 734244960 BJUHYAREMOWMJJ-UHFFFAOYSA-N 258.303 -0.256 50 20 CBGD N#Cc1ccc([C@@H](NNC(=O)c2cnccn2)C(N)=O)cc1 734506982 IKZNTNUSYXFCLK-GFCCVEGCSA-N 296.290 -0.191 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(OCC(=O)O)cc1 737360968 QDMJKFYPFCYTIJ-UHFFFAOYSA-N 295.295 -0.527 50 20 CBGD CCCNC(=O)NNC(=O)[C@H](C)CS(C)(=O)=O 746838380 DTMNWOBNJHWYAL-SSDOTTSWSA-N 265.335 -0.593 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1CSCCS1 750999826 NNEXUROVWVXZSV-QMMMGPOBSA-N 291.398 -0.092 50 20 CBGD O=C(CO)NNC(=O)C1=NO[C@H](c2ccccc2)C1 753451280 CORXHNBZPBNRBS-JTQLQIEISA-N 263.253 -0.356 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](C)[S@](=O)CC1 759870323 RBPSZOQFKPSAIR-KFTBIWSRSA-N 289.401 -0.225 50 20 CBGD COc1nccnc1NNC(=O)Nc1nccn(C)c1=O 764684505 XMDGEFKCGRKDQL-UHFFFAOYSA-N 291.271 -0.273 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccnn1CC 775863815 RBVDAAKVTZYBBD-UHFFFAOYSA-N 295.343 -0.031 50 20 CBGD CCCNC(=O)NNC(=O)CCn1c(C)cc(O)cc1=O 783580602 BVNUJFNCFKKNCN-UHFFFAOYSA-N 296.327 -0.007 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 786918544 OTTYMFPDAKOJRX-DTWKUNHWSA-N 293.327 -0.229 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCCN(CC)C(=O)C1 787324733 JXDASVNCFLQZHB-SNVBAGLBSA-N 284.360 -0.514 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)c1ncn(C)n1 811398166 DBYWCFHMLXIKPT-UHFFFAOYSA-N 285.304 -0.635 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccc(-n2ccnc2)nn1 821217624 NFUZJOXCWZZLGC-SECBINFHSA-N 276.300 -0.380 50 20 CBGD COc1ccc(CC(=O)NN(C)[C@H](C)CO)nc1 823928659 PWHCGPVYONYAJH-SECBINFHSA-N 253.302 -0.024 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CN1CCCC1 824016794 RYTATIUXSBIVTN-UWVGGRQHSA-N 255.318 -0.345 50 20 CBGD CCNC(=O)N(C)NC(=O)Cc1ccc(N)cn1 831944866 KCJAQGQVZFHSHP-UHFFFAOYSA-N 251.290 -0.101 50 20 CBGD COC(=O)N1CCC(C(=O)NNC(=O)C(C)(C)O)CC1 832749052 BWXXVBDINADEEH-UHFFFAOYSA-N 287.316 -0.617 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1nc[nH]c1C(F)(F)F 832754634 NYDNKMYSKPKFTA-UHFFFAOYSA-N 280.206 -0.040 50 20 CBGD O=C(O)[C@H]1CCC[C@H](C(=O)NNC(=O)N2CCOCC2)C1 833185061 VHPJWRZZJZLXDK-UWVGGRQHSA-N 299.327 -0.050 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCO1)[C@H]1CC(=O)N(C2CC2)C1 833255743 IAXHNKCDSPHVSD-ONGXEEELSA-N 295.339 -0.286 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=S)NCCCN(C)C 843277837 UQAFPCXJLDHELA-ZJUUUORDSA-N 288.417 -0.142 50 20 CBGD COC(=O)C1(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1 843660907 YKDFRTYAGUOYRD-HTQZYQBOSA-N 270.285 -0.488 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1CCN(C)[C@@H]1C 843775287 UHGHUKUDDRGMIA-NXEZZACHSA-N 272.349 -0.307 50 20 CBGD CC[C@H](C)C(=O)NNS(=O)(=O)N(C)CCOC 844650037 GKPLHCRFGDJHCS-QMMMGPOBSA-N 267.351 -0.524 50 20 CBGD CN1CCN(CC(=O)NNc2ccc(Cl)cn2)CC1=O 856091051 DAXPGZHLCZOQJO-UHFFFAOYSA-N 297.746 -0.048 50 20 CBGD C[C@@H]1SCC[C@H]1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858577555 KXOMQHLINGXDLI-XLPZGREQSA-N 286.357 -0.511 50 20 CBGD CC[C@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 858695163 DLPAYIBGZMVGHO-DTWKUNHWSA-N 284.316 -0.883 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCCC(F)(F)C2)N1 858702186 DDGLLYNACOCPHB-SSDOTTSWSA-N 290.270 -0.263 50 20 CBGD Cc1cc(C)n(CCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 862450878 CSPZYNYMHXRHLS-JTQLQIEISA-N 293.327 -0.684 50 20 CBGD CCc1csc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 862459575 VXNCFRHSTMWBTO-MRVPVSSYSA-N 296.352 -0.326 50 20 CBGD CN1C[C@H](O)C[C@]1(C)C(=O)NNC(=O)OC(C)(C)C 899926635 VWBFNIGJACIHMH-PRHODGIISA-N 273.333 -0.003 50 20 CBGD CC(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 920430011 DBDXLOMSVPOSOE-SNVBAGLBSA-N 276.296 -0.403 50 20 CBGD CCCNC(=O)NNC(=O)c1ccc(=O)n(CCOC)c1 921038286 OAECGHCMEYZNAC-UHFFFAOYSA-N 296.327 -0.151 50 20 CBGD O=C(NNC(=O)C1CC1)c1ccc2c(c1)C(=O)NCCO2 929231918 LRXAGKSEWZKACP-UHFFFAOYSA-N 289.291 -0.020 50 20 CBGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNC(=O)C(C)C 1115987387 BKWSUUOEEBZMMN-UHFFFAOYSA-N 291.311 -0.323 50 20 CBGD O=C(CO)NNC(=O)CCc1ccc2c(c1)CCO2 1116574266 ZMEFDKOBMOWBEV-UHFFFAOYSA-N 264.281 -0.306 50 20 CBGD C[C@H](NNC(=O)c1cnn(C[C@H](O)CO)c1)C(F)(F)F 1118943274 JWFCTTRLLYXYNO-XPUUQOCRSA-N 296.249 -0.579 50 20 CBGD C[C@@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)n1cccc1 1118971157 UUWATJGTAAQGPW-IUCAKERBSA-N 264.285 -0.525 50 20 CBGD N#Cc1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)o1 1118976728 ZPMSWVRSXLNHDX-ZETCQYMHSA-N 270.075 -0.611 50 20 CBGD C[C@H]1COCCN1C(=O)NNC(=O)c1cccnn1 1119349462 IXROZGUEJDLXPY-QMMMGPOBSA-N 265.273 -0.448 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)C2(c3cccnc3)CC2)N1 1261830316 RYOGJEHBLQDQJQ-SNVBAGLBSA-N 288.307 -0.461 50 20 CBGD O=C(CCO)NN=Cc1ccc2c(c1)NC(=O)CO2 1320676924 YHABSKUWUWLULG-UHFFFAOYSA-N 263.253 -0.150 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)Sc1n[nH]c(CO)n1 1320813657 SHXFFLRMFVCDHO-YFKPBYRVSA-N 273.318 -0.665 50 20 CBGD Cc1oc2ncnc(O)c2c1C(=O)NNC(=O)C(C)(C)O 1320937955 LVJZGECZMWHGIA-UHFFFAOYSA-N 294.267 -0.231 50 20 CBGD CNC(=O)CCCCC(=O)NNC(=O)C(C)(C)O 1320939285 VOPWKTISKACOCK-UHFFFAOYSA-N 259.306 -0.789 50 20 CBGD CC(C)NC(=O)CNC(=S)NNC(=O)c1ccccn1 1322377708 XFZJFYZNSMTVQC-UHFFFAOYSA-N 295.368 -0.285 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC1CCSCC1 1323457024 XDGAWKOSTZLMGK-UHFFFAOYSA-N 275.330 -0.367 50 20 CBGD CCOC(=O)NCCC(=O)NNc1cnnn1C 1324333621 HSCKJCVGLFHRBT-UHFFFAOYSA-N 256.266 -0.606 50 20 CBGD CNc1nnc(CC(=O)NNC(=O)c2cnn(C)c2)s1 1325400562 JCYNWTNOXBUTOL-UHFFFAOYSA-N 295.328 -0.683 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@@H]1CCCS1(=O)=O 1329884766 QYQJYZAMYWEHBI-ZETCQYMHSA-N 263.319 -0.698 50 20 CBGD Cn1nc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1C1CC1 1330964279 KSFKPUFRNFGOOQ-QMMMGPOBSA-N 291.311 -0.663 50 20 CBGD CC(C)c1ncc(S(=O)(=O)NNC(=O)c2cc[nH]n2)[nH]1 1333144472 KGCMMOATKBDWDB-UHFFFAOYSA-N 298.328 -0.121 50 20 CBGD NC(=O)Cn1cc(C(=O)NNc2ccccc2F)nn1 1334938019 XLOHFDDKZSJJEM-UHFFFAOYSA-N 278.247 -0.341 50 20 CBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNc1ncc(F)cn1 1346709929 IBIKFMQUCIMRQR-WCBMZHEXSA-N 280.307 -0.553 50 20 CBGD O=C(C[C@H]1CC(=O)N1)NNC(=O)OCC(F)(F)F 1351094327 CKTWHVXQFWITNO-SCSAIBSYSA-N 269.179 -0.415 50 20 CBGD O=C(NNc1ncncc1F)[C@@]12CNC[C@@H]1COC2 1580743203 ULPSYAUFVKRHAW-RDDDGLTNSA-N 267.264 -0.705 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@]2(C(=O)O)CC2(C)C)n[nH]1 1594281020 HZLUOSPMEUBNNJ-LBPRGKRZSA-N 280.284 -0.020 50 20 CBGD CCOCC(=O)NNC(=O)Nc1cc(C(=O)O)n(C)n1 1605619347 XLIDISZIDJVPRY-UHFFFAOYSA-N 285.260 -0.693 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)c2cccs2)CCN1 88060694 KMESATTWEZTIGK-VIFPVBQESA-N 282.369 -0.197 50 20 CBGD CN(C)CC(=O)NNC(=O)Cc1c[nH]c2ncccc12 153583535 YDYTXVHIAOBKKE-UHFFFAOYSA-N 275.312 -0.186 50 20 CBGD CC(C)N(C)S(=O)(=O)NNC(=O)Cc1cccnc1 267061944 PKSQFARHKVNEEH-UHFFFAOYSA-N 286.357 -0.170 50 20 CBGD CC(=O)NNC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 363940156 QROVEXQGVABMTH-QMMMGPOBSA-N 289.295 -0.508 50 20 CBGD COCCOCCCNC(=O)c1cccc(B(O)O)c1 584925880 RSALRLBPHGDCJN-UHFFFAOYSA-N 281.117 -0.851 50 20 CBGD C[C@@H](CCN(C)C)NC(=O)c1cc(B(O)O)ccc1F 584946102 PPLZFBHPIANIPQ-VIFPVBQESA-N 282.124 -0.425 50 20 CBGD CC[C@H](NC(=O)c1ccc(B(O)O)cc1)[C@H]1CCOC1 584950010 CLPUSXRXYQJSHZ-AAEUAGOBSA-N 277.129 -0.089 50 20 CBGD CC(C)NC(=O)C[C@H](C)NC(=O)c1ccc(B(O)O)cc1 584953194 SBQAVUQGROJMFZ-JTQLQIEISA-N 292.144 -0.601 50 20 CBGD C[C@H]1[C@H](C)N(C(=O)c2cccc(B(O)O)c2)CCN1C 584970211 MROVTCKQNAEWFC-QWRGUYRKSA-N 276.145 -0.469 50 20 CBGD O=C(N[C@@H]1C[C@@H]2OCCC[C@H]21)c1ccc(B(O)O)cc1 584978572 AEUUCYVOMMKDGI-XQQFMLRXSA-N 275.113 -0.336 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@](O)(C2CC2)C1 584983907 RESJOLSVXQFXSS-CQSZACIVSA-N 293.103 -0.508 50 20 CBGD C[C@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)c2nccn21 584997244 ZFVJCMVOEPPBGB-CABZTGNLSA-N 285.112 -0.001 50 20 CBGD CN(C[C@@H]1CCCN1C)C(=O)c1cccc(B(O)O)c1 584998837 BDHAPMAHPDNAHC-ZDUSSCGKSA-N 276.145 -0.467 50 20 CBGD CC(C)NC(=O)[C@H](C)NC(=O)c1cccc(B(O)O)c1 584999254 DXCCAHIWPAWPMO-VIFPVBQESA-N 278.117 -0.991 50 20 CBGD COCCN1CC[C@H](NCc2ccccc2B(O)O)C1 585028562 LATNVVVJVWDUPE-ZDUSSCGKSA-N 278.161 -0.823 50 20 CBGD Cc1nc([C@@H](C)NCc2cccc(B(O)O)c2)no1 585041158 VNVOBVXBYMRLAY-MRVPVSSYSA-N 261.090 -0.091 50 20 CBGD C[C@H](CCO)CCNCc1ccc(B(O)O)cc1 585043576 OFYQRWIMYJMQQB-NSHDSACASA-N 251.135 -0.135 50 20 CBGD O=C([C@@H]1COCCN1CC(F)F)N1CC[C@@H](B(O)O)C1 585064049 LZHNRNIUZRWGGI-BDAKNGLRSA-N 292.091 -0.972 50 20 CBGD CCOCCCC(=O)NNC(=O)Cc1cc[nH]n1 730091776 VMQNKZFSWJOCPV-UHFFFAOYSA-N 254.290 -0.084 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1C[C@H]1C(=O)O 736898849 FKCAVCONXQEJPY-HTQZYQBOSA-N 285.300 -0.841 50 20 CBGD Cc1[nH]c(C(=O)O)c(C)c1C(=O)NNC(=O)c1cnn[nH]1 738167106 VTWUKBXSALQMIH-UHFFFAOYSA-N 292.255 -0.477 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2C[C@H]2C(=O)O)nc1O 738932632 VNQHVJYRXHABCV-CRCLSJGQSA-N 253.218 -0.951 50 20 CBGD O=C(O)NCCCC(=O)NNC(=O)c1ccncc1 739956154 BHAJNKDEGHIVLR-UHFFFAOYSA-N 266.257 -0.110 50 20 CBGD CS(=O)(=O)N1CCC(=NNC(=O)c2cnccn2)CC1 747629110 CHMLYFQKUNIOJV-UHFFFAOYSA-N 297.340 -0.382 50 20 CBGD O=C(NC[C@H]1CCCCO1)NNC(=O)C(=O)N1CCCC1 748459900 FPGKGVGZEXKDCY-SNVBAGLBSA-N 298.343 -0.492 50 20 CBGD CN(NC(=O)c1ccccc1-n1ccnn1)C(N)=O 752716794 DCLJFISDSIXBEL-UHFFFAOYSA-N 260.257 -0.077 50 20 CBGD CC(=O)N[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)C(C)C 755264091 SBDNPXOZKPMGST-NSHDSACASA-N 281.316 -0.740 50 20 CBGD CN(CC(=O)NNC(=O)c1cccs1)[C@@H]1CCNC1=O 759436848 MEKCFJDROKOSFP-MRVPVSSYSA-N 296.352 -0.671 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cccc2c1OCO2 764299287 FOCOXHOWNHAPFN-UHFFFAOYSA-N 295.251 -0.852 50 20 CBGD C[C@@H](NC(=O)C1CCCC1)C(=O)NNC(=O)C(C)(C)O 768245361 RUPPUSPSMYLANB-MRVPVSSYSA-N 285.344 -0.400 50 20 CBGD CO[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)C(C)C 771327010 FVVNMKDQRHLHGJ-SNVBAGLBSA-N 254.290 -0.229 50 20 CBGD CCOCC(=O)NNc1ccccc1S(N)(=O)=O 788229123 SXEQOYKXGPUXDU-UHFFFAOYSA-N 273.314 -0.186 50 20 CBGD CN(C)C(=O)NNC(=O)c1cnc2[nH]c(O)nc2c1 813427370 GCKQYOAWHIYUGD-UHFFFAOYSA-N 264.245 -0.421 50 20 CBGD CCN(CCO)NC(=O)[C@@]12CCC(=O)N1CCS2 823842732 VXAFFHDQMFACLD-NSHDSACASA-N 273.358 -0.603 50 20 CBGD COC[C@H](CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)OC 826873357 LFCWWXZYMSGEFO-UTLUCORTSA-N 289.332 -0.597 50 20 CBGD CC(C)N1CCC[C@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 827015372 IHSKHDAZQXUQNK-UWVGGRQHSA-N 282.344 -0.715 50 20 CBGD CC1=NO[C@@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)C1 827657997 UYIOXBDDSYXLAL-SSDOTTSWSA-N 291.271 -0.323 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCNC2=O)o1 829830437 ANZDDTVFERYUSP-ZETCQYMHSA-N 251.242 -0.515 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cnc2n1CCC2 832754222 FWFAPISFGVECQG-UHFFFAOYSA-N 252.274 -0.639 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cncc(O)c1 843970669 JDSSZFHZPZZGSZ-OIBJUYFYSA-N 265.269 -0.027 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(C(N)=O)CCC1 843971722 DGZKWOKTYFCBTC-JGVFFNPUSA-N 269.301 -0.786 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843974650 CMBBUPSJSUQZJO-XHNCKOQMSA-N 286.332 -0.604 50 20 CBGD COc1cc(C(=O)NNC(=O)N2CCN(C)CC2)sn1 857189606 HDTXDWOMPCDGMC-UHFFFAOYSA-N 299.356 -0.247 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc([N+](=O)[O-])s2)N1 862448855 ICCQPHKUXCZSDW-RXMQYKEDSA-N 298.280 -0.304 50 20 CBGD Cc1cc(=NNC(=O)[C@@H](C)S(C)(=O)=O)cc[nH]1 862510672 POELDQJUFMERJT-MRVPVSSYSA-N 257.315 -0.312 50 20 CBGD COC(=O)c1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)o1 863146199 UGKNZIDWZUNGRN-MRVPVSSYSA-N 279.252 -0.205 50 20 CBGD COC(=O)[C@@H](NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 863379142 PBHKFTPWXKDHRT-JQWIXIFHSA-N 291.307 -0.200 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccncc1C 869906046 UYFBEYLDVMKQDA-UHFFFAOYSA-N 267.285 -0.186 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@@H](C)n1cccn1 869906342 ZTTMVEIPDUPWFR-SNVBAGLBSA-N 284.316 -0.355 50 20 CBGD COCCN([C@@H](C)C(N)=O)S(=O)(=O)CCCCl 881864793 AYAXPQRTNWVJKG-QMMMGPOBSA-N 286.781 -0.233 50 20 CBGD C[C@H](O)CN(C)NC(=O)COc1ccc(CO)cc1 910155426 IHMPHGQYYSMGAP-JTQLQIEISA-N 268.313 -0.099 50 20 CBGD Cn1c(C(=O)NNC(=O)CN2CCCC2=O)cnc1Cl 913733369 GPYYXPRHYVXELR-UHFFFAOYSA-N 299.718 -0.543 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCCC(N)=O 1118283701 HLIWRIPVWIYNIJ-SFYZADRCSA-N 257.290 -0.786 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1CCCS(=O)(=O)C1 1119984025 OJVOBHLGNUMJQH-JTQLQIEISA-N 286.353 -0.238 50 20 CBGD CCN(C(C)=O)c1nc(C=NNC(=O)CO)cs1 1319851789 XUXHBYQZKPBBLE-UHFFFAOYSA-N 270.314 -0.042 50 20 CBGD C[C@@H](C#N)CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 1320093090 PQNXUNBNSZBWAN-WCBMZHEXSA-N 274.346 -0.473 50 20 CBGD CN(C)C(=O)c1cccc(NC(=O)NNC(=O)CCO)c1 1320398981 LLECGGQWMPFWBI-UHFFFAOYSA-N 294.311 -0.077 50 20 CBGD CNS(=O)(=O)c1cccc(C(C)=NNC(=O)CCO)c1 1322318237 AQIUDQMNMLUXKT-UHFFFAOYSA-N 299.352 -0.183 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccc(OC)cc1 1323432933 NZICUGFRJDBPCT-UHFFFAOYSA-N 281.268 -0.301 50 20 CBGD CC(C)NC(=S)NNC(=O)CNC(=O)C1CC1 1323584084 SRGSOBIWMRBKEH-UHFFFAOYSA-N 258.347 -0.584 50 20 CBGD CCC1(CNC(=O)NNC(=O)C(=O)OC)CCOCC1 1326087462 TVCHAQXGVIBSEF-UHFFFAOYSA-N 287.316 -0.303 50 20 CBGD CCC(CC)(CNC(=O)NNC(=O)C(=O)OC)C(=O)O 1326583138 DBAIHIYKZWBHHZ-UHFFFAOYSA-N 289.288 -0.619 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NOC1CCOCC1 1326767023 NIOBNCNYTSONBV-WPRPVWTQSA-N 287.316 -0.148 50 20 CBGD C[C@H](CO[C@@H]1CCOC1)NC(=O)NNC(=O)c1cn[nH]c1 1328788853 ICHTUSGCDXIJCG-PSASIEDQSA-N 297.315 -0.452 50 20 CBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1csnn1 1329555751 BTHDHGWJIWMNFO-ZCFIWIBFSA-N 253.287 -0.343 50 20 CBGD O=C(NC1CC1)C1(C(=O)N2CC[C@H](B(O)O)C2)CCC1 1329673003 URGFETVADURHKW-VIFPVBQESA-N 280.133 -0.489 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H]2CCC(F)(F)C2)N1 1331298474 VLDXYFXJLQVQHI-RQJHMYQMSA-N 290.270 -0.217 50 20 CBGD Cc1cnc2c(C(=O)N3CC[C@@H](B(O)O)C3)cnn2c1 1339182202 CDQLIQRGTMIEIW-SECBINFHSA-N 274.089 -0.273 50 20 CBGD CO[C@H](C(=O)NNc1nccn(C)c1=O)c1cnn(C)c1 1339844749 WTOCFGHTVSLJMF-VIFPVBQESA-N 292.299 -0.655 50 20 CBGD CC(C)(C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1cccnc1 1348389321 UCADHDNRAOIUJK-SNVBAGLBSA-N 290.323 -0.215 50 20 CBGD O=C(Cc1ccco1)NNC(=O)[C@H]1CCC(=O)N1 1351628349 PHAVZDSNNHLVDH-MRVPVSSYSA-N 251.242 -0.752 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H]1COCCN1CC 1353549872 QFKOTDDQHYQUBC-JTQLQIEISA-N 272.349 -0.162 50 20 CBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)c1cccn1C 1520747557 QBUTVUOQIVPJFB-JQWIXIFHSA-N 291.355 -0.826 50 20 CBGD CC(=O)Nc1cc(F)ccc1C(=O)NNC(=O)[C@H]1CCN1 1575019602 WZLOKZWABDZVKY-SNVBAGLBSA-N 294.286 -0.093 50 20 CBGD CC(C)C(=O)NNC(=O)C1CC2(CNC[C@@H]2C#N)C1 1575397620 CFTZCJRHBOCQKU-QUNCOHTASA-N 264.329 -0.071 50 20 CBGD NCC1(C(=O)NNC(=S)Nc2ccccn2)CC(O)C1 1580235958 JSJJIQBPLKDKKT-UHFFFAOYSA-N 295.368 -0.501 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H](C(=O)O)C1CC1 1589417103 SVTAWRCXLWELDR-XVYDVKMFSA-N 270.285 -0.330 50 20 CBGD C[C@@H]1[C@@H](C(=O)O)CCN1C(=O)c1cc(B(O)O)ccc1F 1594159372 RGTOAKFWIOSURM-APPZFPTMSA-N 295.075 -0.559 50 20 CBGD O=C(CCc1nc[nH]n1)NNc1ncccc1C(=O)O 1594689884 ALJZYVFMVKSVHG-UHFFFAOYSA-N 276.256 -0.026 50 20 CBGD CC[C@](C)(CC(=O)O)NC(=O)c1cc(B(O)O)ccc1F 1594821158 OMBPUNXBANZPIN-CYBMUJFWSA-N 297.091 -0.121 50 20 CBGD CN(C)N(C(=O)CO)c1nc(CC(=O)O)cs1 1598257634 PDWORJVNIKQDQM-UHFFFAOYSA-N 259.287 -0.428 50 20 CBGD N#Cc1ccc2ncc(C=NNC(=O)NCC(=O)O)n2c1 1608213948 AZFRSKIDNDHMNU-UHFFFAOYSA-N 286.251 -0.076 50 20 CBGD COC(=O)NNS(=O)(=O)c1c(C)nn(C)c1C 7708392 IVAQTCLAAHPIEZ-UHFFFAOYSA-N 262.291 -0.414 50 20 CBGD O=C(CN1CC[C@@H](CO)C1)NNC(=O)c1cccs1 51887353 PSTOVJOCASSEQM-SECBINFHSA-N 283.353 -0.177 50 20 CBGD CNC(=O)NNC(=O)c1ccc(N2CCNC2=O)cc1 56375701 QJLWEQJEGGPUGB-UHFFFAOYSA-N 277.284 -0.210 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN(C)C(=O)C1 119393126 FZJKSPMCWLSYHX-SNVBAGLBSA-N 284.360 -0.658 50 20 CBGD COc1ccc(C(=O)NNC(=O)CO)c(OC)c1 272091853 LEQCPURTLKBQEO-UHFFFAOYSA-N 254.242 -0.543 50 20 CBGD C[C@@H](CN(C)C)NC(=O)NNC(=O)Cc1cccnc1 288083649 SDCZQAHRDVFWCW-JTQLQIEISA-N 279.344 -0.095 50 20 CBGD COCCN(C)NC(=O)c1c(C)c(C)nn(C)c1=O 288151286 CBECUORVCNMBJK-UHFFFAOYSA-N 268.317 -0.380 50 20 CBGD C[C@@H]1CC(=O)N[C@H](C(=O)NNC(=O)[C@H]2CCCO2)C1 294112922 YUGBWSFQJYJUGU-XHNCKOQMSA-N 269.301 -0.773 50 20 CBGD CN1C(=O)CN(C(=O)/C(C#N)=C\c2cnn(C)c2)CC1=O 491103337 KVQVZSIHWDMFIV-KMKOMSMNSA-N 287.279 -0.846 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)[C@@H]1C 584992880 PQZRQTWZYBBWCJ-HTQZYQBOSA-N 251.066 -0.014 50 20 CBGD OB(O)c1ccc(CNC[C@H](O)c2cccs2)o1 585025402 SRIFVUARAIYQAT-VIFPVBQESA-N 267.115 -0.156 50 20 CBGD CCC(=O)N1CC[C@H](NCc2cccc(B(O)O)c2)C1 585030985 NPWJWPOMQDOEDM-ZDUSSCGKSA-N 276.145 -0.533 50 20 CBGD CC[C@@H](C)NC(=O)[C@H](C)NCc1ccc(B(O)O)cc1F 585032739 LCEIUGWDKKPUDZ-ZJUUUORDSA-N 296.151 -0.102 50 20 CBGD CCN(CC)CCOCCNCc1ccc(B(O)O)cc1 585035621 WSIMLXPFLCLFMK-UHFFFAOYSA-N 294.204 -0.186 50 20 CBGD CCc1ccc(C(=O)NNC(=O)C2=NNC(=O)C2)cc1 731864360 RPTGEOQLNBDBFF-UHFFFAOYSA-N 274.280 -0.114 50 20 CBGD COCCOCCC(=O)NNC(=O)c1cnn(C)c1 735445945 KJPOTKDZVWIOJI-UHFFFAOYSA-N 270.289 -0.766 50 20 CBGD CCC(COC)=NNC(=O)Cc1cc(O)nc(O)n1 743445914 JCFCMWZDNFTRIK-UHFFFAOYSA-N 268.273 -0.041 50 20 CBGD CS(=O)(=O)CCC(=O)NNC(=O)c1ccc(C#N)cc1 747214652 PKYYOQBEDHQARR-UHFFFAOYSA-N 295.320 -0.246 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=O)c1ccccc1 754956759 AQPYHTSGRDRPBB-LBPRGKRZSA-N 252.270 -0.155 50 20 CBGD CCOCC(=O)NNC(=O)N=c1cc[nH]cc1[N+](=O)[O-] 757805466 MDJMZMNGUVCTKE-UHFFFAOYSA-N 283.244 -0.399 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)C[C@H](O)C(F)(F)F 774771209 LYZNAUBGWDZXDK-BQBZGAKWSA-N 285.266 -0.213 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccn(C(F)F)n1 776231971 MJVIAXGGYQJXFO-UHFFFAOYSA-N 261.232 -0.399 50 20 CBGD CN(NC(=O)CNC(=O)NCc1ccc(F)cc1)C(N)=O 778416854 JOKDNJXKGCCEMP-UHFFFAOYSA-N 297.290 -0.333 50 20 CBGD CN(NC(=O)[C@@]12CCC(=O)N1CCS2)C(N)=O 778417622 BKIIEGIWQABGQG-VIFPVBQESA-N 258.303 -0.906 50 20 CBGD CN(NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(N)=O 778419076 ZQFRCJRMHOVROZ-UHFFFAOYSA-N 282.212 -0.021 50 20 CBGD CN(C)CCCCC(=O)NNC(=O)N1CCN(C)CC1 807380107 BRUJVEPZBNYKKI-UHFFFAOYSA-N 285.392 -0.294 50 20 CBGD C=C[C@](C)(O)CC(=O)NNC(=O)c1cc(C)[nH]n1 810584317 OBKJZLBHYMIVIM-NSHDSACASA-N 252.274 -0.194 50 20 CBGD O=C(NN=C[C@@H]1CCCOC1)N[C@H]1CCS(=O)(=O)C1 814814317 HCBQCJGYJOJXOX-UWVGGRQHSA-N 289.357 -0.115 50 20 CBGD Cn1nncc1NNC(=O)c1cc([N+](=O)[O-])cnc1O 816771436 MKCPPHVANLSELA-UHFFFAOYSA-N 279.216 -0.419 50 20 CBGD C[C@@H](CO)N(C)NC(=O)C1(S(C)(=O)=O)CCCC1 823965521 OEZRZBNLBOXGJO-VIFPVBQESA-N 278.374 -0.312 50 20 CBGD C[C@H](CO)N(C)NC(=O)CCn1ccccc1=O 823969958 AHFXJYIBRVAQPC-SNVBAGLBSA-N 253.302 -0.418 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@]1(C)CCNC1=O 824015900 FQUPOMWBWJRVAM-YVZVNANGSA-N 269.301 -0.915 50 20 CBGD Cc1cc(C(=O)NNC(=O)Cc2n[nH]c(C)n2)n[nH]1 831423717 FGMQKLYJSFOUHY-UHFFFAOYSA-N 263.261 -0.852 50 20 CBGD O=C(NNc1nc(-c2cccnc2)no1)[C@H]1CNCCO1 831890568 MMUNQEZKOZNULL-SECBINFHSA-N 290.283 -0.437 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H](O)C(C)(C)C 843977071 FMJMSSPOOZBFRZ-XHNCKOQMSA-N 258.318 -0.034 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)Cc1nonc1C 845597215 ADZDTYMYGBTJKZ-UHFFFAOYSA-N 297.315 -0.627 50 20 CBGD CC(C)CN1C[C@H](C(=O)NNc2cnnn2C)CC1=O 857271658 UNDUPCZLSIEIRW-SECBINFHSA-N 280.332 -0.237 50 20 CBGD CO[C@](C)(CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CC1 858477456 IPNVXUZRGMRKAY-NOZJJQNGSA-N 298.343 -0.590 50 20 CBGD COC[C@@]1(C)CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858699959 BCIAYAZAYWLTRE-RNCFNFMXSA-N 298.343 -0.636 50 20 CBGD CC(=O)c1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cs1 862460221 DERPMFSOAJFZJL-MRVPVSSYSA-N 295.320 -0.010 50 20 CBGD COC(=O)[C@@H](NC(=O)c1ccc(B(O)O)cc1)C1CC1 863874866 CKANMHQDUIJBHM-NSHDSACASA-N 277.085 -0.952 50 20 CBGD COC(=O)C1(CNCc2ccccc2B(O)O)CC1 863890893 HALQDWLXYIKSQL-UHFFFAOYSA-N 263.102 -0.591 50 20 CBGD CNC(=O)CNS(=O)(=O)CC(C)(C)CCl 866412805 JMWPOQIULKMTKE-UHFFFAOYSA-N 256.755 -0.083 50 20 CBGD CC1(C(=O)NNC(=O)CN2CCCC2=O)CCC1 913731884 ZTYVILGKNYSHEL-UHFFFAOYSA-N 253.302 -0.054 50 20 CBGD C[C@@H](C(=O)NNC(=O)C1CCCC1)S(C)(=O)=O 915857080 JEPLNRPCBYQJKR-ZETCQYMHSA-N 262.331 -0.243 50 20 CBGD NC(=O)C(=O)NN=Cc1ccc(-n2ccnc2)cc1 917024142 SMJAHKXVTAPOLC-UHFFFAOYSA-N 257.253 -0.192 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@H]1COCO1 923842942 KOTCQARVPCJVOG-YIZRAAEISA-N 273.289 -0.885 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@](C)(O)c1ccc(F)cc1 935563987 STZHXRQALILHAE-CYBMUJFWSA-N 284.287 -0.049 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc(N2CCCC2)nn1 1116014991 CLCNRCNTDGHHBT-UHFFFAOYSA-N 278.316 -0.007 50 20 CBGD Cn1cc(C(=O)NNC(=O)CNC(C)(C)C)cn1 1116084818 JMVVLLQYXMREKF-UHFFFAOYSA-N 253.306 -0.431 50 20 CBGD C[C@H](Cc1cnn(C)c1)NC(=O)NNC(=O)c1cn[nH]c1 1118866580 ZUXPZPBFHTYVQE-MRVPVSSYSA-N 291.315 -0.282 50 20 CBGD O=C(CC1OCCCO1)NNC(=O)C1CCOCC1 1119345005 ZCOGIWLMJAKVFP-UHFFFAOYSA-N 272.301 -0.287 50 20 CBGD Cc1nn(C)cc1CCC(=O)NNC(=O)C(=O)NC(C)C 1251881913 JRKIXKIDWSVQHR-UHFFFAOYSA-N 295.343 -0.667 50 20 CBGD Cc1cnn(C)c1C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1257399208 NDBCXRAYUIRSJL-SECBINFHSA-N 299.356 -0.451 50 20 CBGD C[C@H](NC(=O)NNC(=O)c1ccc[nH]1)C(=O)N(C)C 1320268522 YDPUNIZEBMUSTO-ZETCQYMHSA-N 267.289 -0.565 50 20 CBGD CC(=O)N1CCN(C(=O)CCNC(=O)CCl)CC1 1320465902 QMUWVVUYNFTBMH-UHFFFAOYSA-N 275.736 -0.578 50 20 CBGD CCOCc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1 1323943244 BBVWORFKMNBTON-UHFFFAOYSA-N 295.295 -0.699 50 20 CBGD COCc1cncc(C(=O)N2CC[C@H](B(O)O)C2)c1 1329215990 SRAVZUMZZVRMDG-NSHDSACASA-N 264.090 -0.083 50 20 CBGD CCOCCCNC(=O)NNC(=O)c1ncccn1 1331435230 HGXPPEDPZVUWTG-UHFFFAOYSA-N 267.289 -0.153 50 20 CBGD COC[C@@H](C)CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1331907185 MNRNDBBJMLZOKR-IUCAKERBSA-N 292.357 -0.759 50 20 CBGD C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)C1CCOCC1 1332433640 IMNAICAZDYZSTH-SCZZXKLOSA-N 271.317 -0.222 50 20 CBGD CCN(CCO)NC(=O)[C@@H](O)Cc1cccc(OC)c1 1336010474 GPFZAZKOBINNCO-ZDUSSCGKSA-N 282.340 -0.056 50 20 CBGD Cn1nnc2c1C[C@H](C(=O)NNC(=O)C1CCC1)CC2 1343522355 YHLFVGUHBMZMEV-SECBINFHSA-N 277.328 -0.133 50 20 CBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNc1ncc(F)cn1 1346709927 IBIKFMQUCIMRQR-SCZZXKLOSA-N 280.307 -0.553 50 20 CBGD C=CCC[C@@H](NCc1cccc(B(O)O)c1)C(=O)O 1353909483 FSLSJDVJPQSJCO-GFCCVEGCSA-N 263.102 -0.125 50 20 CBGD CCn1ncc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)n1 1549312439 FANIKZYJQIOXDC-RYUDHWBXSA-N 292.343 -0.389 50 20 CBGD CN1CCC(=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)C1=O 1549319306 HDSVALMGPDYUBG-GXSJLCMTSA-N 280.328 -0.816 50 20 CBGD COC(=O)CC[C@H](NS(=O)(=O)CCl)C(=O)O 1593850006 WIUJRZCODRXMBQ-YFKPBYRVSA-N 273.694 -0.492 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCCCCC(=O)O)nn1 1594530170 CDWBHJQFGIAARM-UHFFFAOYSA-N 298.303 -0.596 50 20 CBGD Cc1csc(CNC(=O)NNC(=O)C(=O)O)c1 1600659046 DRYSHWJDWOSEIK-UHFFFAOYSA-N 257.271 -0.028 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1c2ccccc2OC[C@@H]1F 1601552712 FOBZCHXVXPWDRK-CBAPKCEASA-N 297.242 -0.127 50 20 CBGD O=C(O)CC[C@@H]1CC[C@H](C(=O)N2CC[C@@H](B(O)O)C2)O1 1602034067 BZKVHGSKGVTLIE-KXUCPTDWSA-N 285.105 -0.526 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C 1602949047 VHKXQRQLBSOJAU-UHFFFAOYSA-N 296.312 -0.495 50 20 CBGD CN(CCN1CCCS1(=O)=O)C(=O)CCl 1887529376 WTSURCZSXTYKNT-UHFFFAOYSA-N 254.739 -0.281 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)CN2CCCC2=O)n1 8300669 UYDUYTRWGBXNEW-UHFFFAOYSA-N 293.327 -0.730 50 20 CBGD CN(CC(=O)NNC(=O)c1cccs1)CC(=O)N(C)C 72824538 NGDWCIAAVLAQSG-UHFFFAOYSA-N 298.368 -0.471 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)CC(C)(C)C)C1 85521147 QHMZTUKTGFXTSA-VIFPVBQESA-N 257.334 -0.099 50 20 CBGD CC#CCNC(=O)NNC(=O)CNC(=O)c1ccco1 135306942 YCHTTWKVZYTSKP-UHFFFAOYSA-N 278.268 -0.637 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1cc[nH]c(=O)c1 159289911 SNXNXWKUNGKRNF-UHFFFAOYSA-N 260.253 -0.212 50 20 CBGD CCOCC(=O)NNC(=O)COc1ccccc1O 264447439 CMYOBALFVFLBGP-UHFFFAOYSA-N 268.269 -0.045 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@H]2CN(C)CCO2)nc1 270374850 NBUAYBZQVLEVDC-SNVBAGLBSA-N 294.311 -0.358 50 20 CBGD CN(NC(=O)CNC(=O)COc1ccccc1)C(N)=O 271359458 MXAYBSCPXMIYFD-UHFFFAOYSA-N 280.284 -0.777 50 20 CBGD CC[S@@](=O)CC(=O)NNc1nccc(OC)n1 278606364 LKCMJZJFKSMWHC-QGZVFWFLSA-N 258.303 -0.303 50 20 CBGD O=C(NNC(=O)C1CC1)c1sccc1-n1cnnn1 298445631 JKKMQIQQUNAMPU-UHFFFAOYSA-N 278.297 -0.105 50 20 CBGD C[C@@H](NC(=O)COc1ccc(B(O)O)cc1)C1CC1 584909330 KFWVHWWNYAFMOF-SECBINFHSA-N 263.102 -0.340 50 20 CBGD CC[C@H](NC(=O)c1cccc(B(O)O)c1)[C@H]1CCOC1 584951530 JJPYYLFFBQJFPW-AAEUAGOBSA-N 277.129 -0.089 50 20 CBGD C[C@@H]1OCC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584967889 CKGAZJQXYBTKKC-WRWORJQWSA-N 267.065 -0.587 50 20 CBGD C[C@@H](CO)CN(C)C(=O)c1ccc(B(O)O)c(F)c1 584968590 YZZOCUGFBTVPTK-MRVPVSSYSA-N 269.081 -0.794 50 20 CBGD CN(C[C@H]1CCCC[C@@H]1O)C(=O)c1cccc(B(O)O)c1 584971935 IMSPRPXQGYJYPZ-OCCSQVGLSA-N 291.156 -0.011 50 20 CBGD O=C(NC[C@@H]1CCSC1)c1cccc(B(O)O)c1 584982342 HFMRUOQNKTZURP-VIFPVBQESA-N 265.143 -0.151 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N(CCO)CC1CC1 584987978 AAFCBYNWWSRRQS-UHFFFAOYSA-N 263.102 -0.789 50 20 CBGD C[C@H]1CC[C@H](CNC(=O)c2ccc(B(O)O)c(F)c2)O1 584998727 QRXYMQFWQFRSSZ-WCBMZHEXSA-N 281.092 -0.197 50 20 CBGD C[C@@H]1C[C@H](O)CN(C(=O)c2ccc(B(O)O)c(F)c2)C1 585001419 WCXCKTBSXFUVMD-SCZZXKLOSA-N 281.092 -0.652 50 20 CBGD CC(C)[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)CCN1 585010204 JUTBYQZUMHZNCO-CYBMUJFWSA-N 276.145 -0.564 50 20 CBGD CC(C)COC[C@@H](O)CNCc1ccc(B(O)O)cc1F 585017783 ABRWNVSGNFVBEF-ZDUSSCGKSA-N 299.151 -0.371 50 20 CBGD C[C@@]1(CNCc2ccc(B(O)O)o2)CCCC[C@@H]1O 585026956 UZTPNOKFPWNXPP-AAEUAGOBSA-N 267.134 -0.010 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCOC3(CCOCC3)C2)o1 585028449 KLXRCLIDUFFVIQ-NSHDSACASA-N 295.144 -0.223 50 20 CBGD CCN(CC)CCOCCNCc1cccc(B(O)O)c1 585034979 OFNWNTQWXWGHDZ-UHFFFAOYSA-N 294.204 -0.186 50 20 CBGD OB(O)c1ccc(CNCCN2CC=CCC2)cc1 585039505 SHOVJSRIOZGZPX-UHFFFAOYSA-N 260.146 -0.282 50 20 CBGD COc1ccnc(CNCc2ccc(B(O)O)o2)c1F 585047394 OOAQTBMIGYLLEZ-UHFFFAOYSA-N 280.064 -0.208 50 20 CBGD C[C@@]1(CNCc2cccc(B(O)O)c2)CCC(=O)NC1 585048014 IUCTUDWMJMVCCR-AWEZNQCLSA-N 276.145 -0.628 50 20 CBGD N#Cc1c(Cl)cccc1S(=O)(=O)NCB(O)O 585055667 GSRCRKNIOWGCLB-UHFFFAOYSA-N 274.494 -0.498 50 20 CBGD C[C@H](NC(=O)c1cccs1)C(=O)N1CC[C@@H](B(O)O)C1 585068543 DHXJAKCPUIGOLE-DTWKUNHWSA-N 296.157 -0.058 50 20 CBGD CCCNC(=O)NNS(=O)(=O)c1cn(C)c(C)n1 727113875 YCBXNOLGGJGRSF-UHFFFAOYSA-N 275.334 -0.369 50 20 CBGD COc1ncc(C(=O)NNC(=O)Cc2cccnc2)cn1 733933134 UBKDBOBGDUQCJK-UHFFFAOYSA-N 287.279 -0.116 50 20 CBGD O=C(NNC(=O)C(F)(F)C(F)F)C(=O)N1CCCC1 749365281 XOZHSNLCQQTUPE-UHFFFAOYSA-N 285.197 -0.343 50 20 CBGD CCC[C@H](C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758048762 VRHDGGXEZOXERO-YUMQZZPRSA-N 279.362 -0.492 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@](C)(C(=O)OC)C1 759787666 TZHGXNSDXNIRPQ-NOZJJQNGSA-N 285.344 -0.183 50 20 CBGD C=CCOc1cccc(NC(=O)C(=O)NNC(=O)CO)c1 764422095 VCUOEKZKLXQIAH-UHFFFAOYSA-N 293.279 -0.670 50 20 CBGD CC(C)c1nccnc1NNC(=O)C1=NNC(=O)C1 774849349 FSFRNIOIHPNKFH-UHFFFAOYSA-N 262.273 -0.081 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccn(C)n1 779356690 GKILHDXBLXNEOS-QMMMGPOBSA-N 285.304 -0.376 50 20 CBGD CN1N=C(C(=O)NNC(=O)c2ccc[nH]2)CCC1=O 783644619 KBHMYECCPWOPCA-UHFFFAOYSA-N 263.257 -0.616 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C)ncn1 786106504 DTEHNNIKSIYCRX-QMMMGPOBSA-N 280.284 -0.112 50 20 CBGD Cn1nncc1NC(=O)NNC(=O)c1ccccc1O 809901302 HRFSEHHQUVIVFF-UHFFFAOYSA-N 276.256 -0.013 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccc2c(c1)N(C)C(=O)CO2 821217566 LCMRMXCEGBSNFT-SECBINFHSA-N 293.323 -0.001 50 20 CBGD CCN(CCO)NC(=O)c1ccc2c(c1)NC(=O)CO2 823838647 SXNLXUUNIURIQK-UHFFFAOYSA-N 279.296 -0.024 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 823846718 MWTBGLDNDRUTIT-LLVKDONJSA-N 295.339 -0.027 50 20 CBGD CN1C(=O)CC[C@@H](NC(=O)NNc2cccnn2)C1=O 823904843 BGZZSXMQSQVSJM-SSDOTTSWSA-N 278.272 -0.750 50 20 CBGD Cc1nnnn1-c1ccc(C(=O)NN(C)[C@@H](C)CO)cc1 823912565 IHPGKPDYMKNZKG-VIFPVBQESA-N 290.327 -0.072 50 20 CBGD C[C@H](NC(=S)NNC(=O)CCNC(=O)O)C1CC1 825466426 SMNBSXKRCLDCFS-LURJTMIESA-N 274.346 -0.062 50 20 CBGD CCCN(CC(=O)NNC(=O)C(C)C)CC(=O)OC 827438706 VOKHKLXDEDEQBC-UHFFFAOYSA-N 273.333 -0.325 50 20 CBGD CC(=O)N[C@@H](CCC(C)C)C(=O)NNC(=O)C(C)(C)O 832749391 ILQKNBJMWRBXNZ-JTQLQIEISA-N 287.360 -0.154 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1nc[nH]c2nccc1-2 832750402 ZLWKVYBVXDZVOO-UHFFFAOYSA-N 263.257 -0.559 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)NCCN1CCNCC1 841920192 IGOGRXZDRSCFQE-UHFFFAOYSA-N 285.392 -0.342 50 20 CBGD Cn1cc(C(=O)NNS(=O)(=O)N2C[C@H]3CC[C@H]2C3)cn1 844654638 KXRLGHQGHYSEJF-WPRPVWTQSA-N 299.356 -0.616 50 20 CBGD O=C(CO)NNC(=O)c1scc2c1OCCO2 848373435 WWEVMKNTNCTXFF-UHFFFAOYSA-N 258.255 -0.727 50 20 CBGD C=C[C@](C)(O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 854179661 GJSGEUIQPPQALL-FZMZJTMJSA-N 292.291 -0.089 50 20 CBGD COC(=O)N(C)NC(=O)CCn1cnc2c(N)ncnc21 854410284 XBONCKMVPKROHZ-UHFFFAOYSA-N 293.287 -0.472 50 20 CBGD CCN1C[C@@H](C(=O)NNC(=O)c2cc[nH]n2)CC1=O 855359483 TYJUDQPLKIEAJF-ZETCQYMHSA-N 265.273 -0.961 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc(Cl)cn2)N1 862455817 RKJUYWLWUDLALH-MRVPVSSYSA-N 282.687 -0.225 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)nc1C 863466101 PPXKSSWFRYFJHQ-UHFFFAOYSA-N 285.325 -0.496 50 20 CBGD CC(=O)C[C@H]1COCCN1C(=O)c1ccc(B(O)O)cc1 863879308 XVWKTKPBVTTWBE-ZDUSSCGKSA-N 291.112 -0.814 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)CCCN(C)C 867118671 VXRKZWAHQGLTHT-UHFFFAOYSA-N 266.367 -0.566 50 20 CBGD COCCOCC(=O)NN=Cc1cn(C(C)C)nn1 872400309 INYBWYXHVHAIRH-UHFFFAOYSA-N 269.305 -0.028 50 20 CBGD Cc1nn(CC(F)F)cc1C(=O)NNC(=O)CN(C)C 894133526 CRLJWRXMDKKBLX-UHFFFAOYSA-N 289.286 -0.221 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccc(-n2cnnn2)cc1 910177617 MRKOTKPIQMRULX-VIFPVBQESA-N 276.300 -0.380 50 20 CBGD CC(C)N(C)CC(=O)NNC(=O)CN1CCCC1=O 913730863 LYMKEMIAIGJEIL-UHFFFAOYSA-N 270.333 -0.904 50 20 CBGD CCOC(=O)/C(C#N)=C/NNC(=O)CCN1CCOCC1 1115816957 PREWIWAETLDRPP-ZHACJKMWSA-N 296.327 -0.700 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@@]1(F)CCOC1 1117356210 CIEXGYQZSVEKJT-GFCCVEGCSA-N 267.260 -0.100 50 20 CBGD Cc1cccc(NC(=O)C(=O)NNC(=O)CCO)c1C 1323943564 JTUZGZJKUACLGX-UHFFFAOYSA-N 279.296 -0.228 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1C[C@]12CCOC2 1325516443 QHUFPMBEKZIPOT-SKDRFNHKSA-N 264.285 -0.474 50 20 CBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)C2CCNCC2)CO1 1326063115 XTKLZTWOHDYDOA-SCZZXKLOSA-N 270.333 -0.506 50 20 CBGD O=C(NNC(=O)C1CCOCC1)c1ccc2nncn2c1 1330831791 ZOFGWVMYDPEWFL-UHFFFAOYSA-N 289.295 -0.083 50 20 CBGD CC(C)NC(=S)NNC(=O)CO[C@H]1CCOC1 1330900762 IQJOQGONMSSRPL-QMMMGPOBSA-N 261.347 -0.304 50 20 CBGD CNC(=S)N(C)NC(=O)c1cnc2n(c1=O)CCS2 1334438396 AQWWCWRSURKSEM-UHFFFAOYSA-N 299.381 -0.570 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)C(F)(F)F 1339524923 DGIIHVQHBSABHE-YFKPBYRVSA-N 269.223 -0.143 50 20 CBGD NC(=O)Cn1cc(C(=O)NNc2cccc(Cl)n2)nn1 1347723930 KGQWGBJDEVUOBD-UHFFFAOYSA-N 295.690 -0.431 50 20 CBGD COC(=O)c1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cn1 1348490356 QIBWUKSCJKUJOC-SECBINFHSA-N 278.073 -0.443 50 20 CBGD C[C@H](NC(=S)NNC(=O)CN1C(=O)CCC1=O)C1CC1 1521726329 FCKBCIUTHNBFLP-ZETCQYMHSA-N 298.368 -0.571 50 20 CBGD Cc1cc(=NNC(=O)c2cnn(CCO)c2)cc[nH]1 1521748543 YDBUPZHFPSRHDB-UHFFFAOYSA-N 261.285 -0.242 50 20 CBGD Cn1cnnc1S(=O)(=O)N1CC=C(C#N)CC1 1561408516 YLLVNGBSFZUZJA-UHFFFAOYSA-N 253.287 -0.341 50 20 CBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)c1cccn1C 1574282124 NVRXJIMLQIUCOU-KRTXAFLBSA-N 265.269 -0.103 50 20 CBGD CC(C)(C(=O)O)C(=O)NNC(=O)C1CCOCC1 1588618412 JQOGLPGIAOOGST-UHFFFAOYSA-N 258.274 -0.329 50 20 CBGD C=CCNC(=S)NNC(=O)CCSCC(=O)O 1588845414 MMNBQUKOZYOQTC-UHFFFAOYSA-N 277.371 -0.124 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CC[C@H](C(=O)O)C1 1589416785 QQCZLHHDPSNEOX-RGOKHQFPSA-N 299.327 -0.005 50 20 CBGD CC[C@H](CNCc1cccc(B(O)O)c1)C(=O)O 1589552079 JSLLCFLIRUCEOS-SNVBAGLBSA-N 251.091 -0.433 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cc(-c2nn[nH]n2)ccn1 1589882196 LFJXKFQCQGYSFN-SSDOTTSWSA-N 277.288 -0.781 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCc1ocnc1C(=O)O 1590882601 ISZQQNJGGPEMBT-UHFFFAOYSA-N 285.256 -0.776 50 20 CBGD CCc1cnc(CCNC(=O)NNC(=O)C(=O)O)s1 1597627811 UCYYBYXFUMXGMJ-UHFFFAOYSA-N 286.313 -0.337 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cscc1-c1nn[nH]n1 1609085159 ZQZPXQXJNSMVOT-UHFFFAOYSA-N 296.312 -0.540 50 20 CBGD CC(C)CN1CCC(NC(=O)NNC(=O)C(=O)O)CC1 1609698938 JPTTWVIYMWMELP-UHFFFAOYSA-N 286.332 -0.478 50 20 CBGD O=C(NNc1ncccn1)N[C@@H]1CCS(=O)(=O)C1 42871174 JDRIYLUWLQKPRN-SSDOTTSWSA-N 271.302 -0.710 50 20 CBGD O=C(CN1C[C@@H]2CNC[C@@H]2C1)NNC(=O)c1cccs1 107855707 SMDLQGUXKVFHEW-AOOOYVTPSA-N 294.380 -0.340 50 20 CBGD COC(=O)NCCCC(=O)NNC(=O)c1ccncc1 264439476 MYMHFKUSQOTCQD-UHFFFAOYSA-N 280.284 -0.021 50 20 CBGD COC(=O)C[C@H](C)C(=O)NNC(=O)c1cnn(C)c1 268199361 MIJJGBHNLABLFF-ZETCQYMHSA-N 268.273 -0.620 50 20 CBGD C#CCCCCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 273348421 AOQYMVQMIWLRBC-VIFPVBQESA-N 289.357 -0.735 50 20 CBGD COC(=O)C[C@H](C)CC(=O)NNC(=O)C(=O)N1CCCC1 289494870 BUSMNPMMYGDULW-SECBINFHSA-N 299.327 -0.655 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)[C@@H](C)CC(N)=O 292611347 INPYLTQOCWEGKX-VIFPVBQESA-N 293.323 -0.103 50 20 CBGD CCO/C=C\C(=O)NNC(=O)C(=O)N1CCCC1 493404232 VSJBPOAGIDCZQS-YVMONPNESA-N 255.274 -0.694 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(OC)nc1 495447679 IIXWDFDIUBJPHI-UHFFFAOYSA-N 282.256 -0.194 50 20 CBGD CCC[C@@](C)(CO)NC(=O)c1ccc(B(O)O)c(F)c1 584972094 MWNBOOBVPMJRRP-ZDUSSCGKSA-N 283.108 -0.214 50 20 CBGD C[C@@H](C[S@](C)=O)N(C)C(=O)c1ccc(B(O)O)cc1 584973103 LSGHVXRKUFRGIN-UGZDLDLSSA-N 283.158 -0.795 50 20 CBGD C[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@H]1CO 584981180 SXAXEDCYEHLMRY-BDAKNGLRSA-N 281.092 -0.794 50 20 CBGD Cc1noc([C@@H](C)N(C)C(=O)c2ccc(B(O)O)cc2)n1 585004577 HFZZNWQMILGTNQ-MRVPVSSYSA-N 289.100 -0.109 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)cc1)c1ncn(C)n1 585037236 UVJFGTOPWFUEPN-SECBINFHSA-N 260.106 -0.654 50 20 CBGD OC[C@H](CC(F)F)NCc1ccc(B(O)O)cc1F 585038290 YYGMTKRQPJQXRA-VIFPVBQESA-N 277.051 -0.389 50 20 CBGD COC1([C@H](C)NCc2ccc(B(O)O)o2)CCOCC1 585047637 DZESXKHWBDWAHB-JTQLQIEISA-N 283.133 -0.367 50 20 CBGD CCCN1CC[C@@H](NCc2ccc(B(O)O)o2)C1 585049418 GIJNZRKTSCWJOC-SNVBAGLBSA-N 252.123 -0.467 50 20 CBGD O=S(=O)(NCB(O)O)c1cccnc1Cl 585054510 MGJRCQCNJHYOSI-UHFFFAOYSA-N 250.472 -0.975 50 20 CBGD CO[C@H](CC(C)C)CS(=O)(=O)N1CC[C@H](B(O)O)C1 585055605 BVHCCVXIBPAWDP-WDEREUQCSA-N 293.194 -0.074 50 20 CBGD Cc1cccc(S(=O)(=O)NCB(O)O)c1Cl 585055992 MKNUVDZGOQUPMM-UHFFFAOYSA-N 263.511 -0.061 50 20 CBGD O=C(NCB(O)O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 585056361 NRIFJWTUJMDLBC-LLVKDONJSA-N 276.101 -0.837 50 20 CBGD O=C(Cn1cc(-c2ccccc2)nn1)NCB(O)O 585061386 RCWPTVNTXHKNAS-UHFFFAOYSA-N 260.062 -0.927 50 20 CBGD COCCn1cc(CN2CC[C@H](B(O)O)C2)cn1 585078094 YTRZZICPYXZINH-NSHDSACASA-N 253.111 -0.422 50 20 CBGD C[C@@]1(CO)C[C@@H](O)CN1S(=O)(=O)CCCCl 698133867 RIAXXPKTSFYUKZ-BDAKNGLRSA-N 271.766 -0.237 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](CCC(N)=O)C1 731850055 MJADASZAHRHZJC-QWRGUYRKSA-N 298.387 -0.090 50 20 CBGD CC(CS(C)(=O)=O)=NNC(=O)N1CCOCC1 732528640 SILLFTLHHBOFLN-UHFFFAOYSA-N 263.319 -0.551 50 20 CBGD C[C@@H](C#N)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 733887127 ZDWSWDIMYYIOQN-QMMMGPOBSA-N 285.267 -0.417 50 20 CBGD Cn1cc(C(=O)NNC(=S)NCCCC(=O)O)cn1 739023760 YNCCQWBVEZELHI-UHFFFAOYSA-N 285.329 -0.606 50 20 CBGD Cc1ncsc1C=NNC(=O)[C@H](C)NS(C)(=O)=O 743438941 SXCKJQSBVDZNGT-ZETCQYMHSA-N 290.370 -0.161 50 20 CBGD CC(=O)N[C@H](CC(=O)NNC(=O)CO)c1ccc(C)cc1 753439551 PUXXFDQLHZCEPL-GFCCVEGCSA-N 293.323 -0.298 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@H]1CCOC1 753628907 RCKQTAPGBOPUJC-RKDXNWHRSA-N 272.301 -0.098 50 20 CBGD O=C(NNc1ncccn1)[C@H]1CCCCS1(=O)=O 753786195 PKXIQNCNULXUSR-MRVPVSSYSA-N 270.314 -0.113 50 20 CBGD Cc1cc(C(=O)NNC(=O)Nc2nccn(C)c2=O)n[nH]1 757906120 IQXISIHUDQEXIZ-UHFFFAOYSA-N 291.271 -0.722 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1ncccc1[N+](=O)[O-] 760163091 HVFZQKLJUKWNJK-UHFFFAOYSA-N 297.271 -0.462 50 20 CBGD Cc1ccccc1CC(=O)NNC(=O)CS(C)(=O)=O 763692666 BZDMBTXYYKPRQS-UHFFFAOYSA-N 284.337 -0.270 50 20 CBGD O=C(CN1CCCC1=O)NN=C1CCN2CCC[C@H]12 765570202 RIXMFWSVVFCACF-LLVKDONJSA-N 264.329 -0.051 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@]2(O)CCSC2)cn1 765820568 OEPCRECCCHNRRS-SNVBAGLBSA-N 270.314 -0.951 50 20 CBGD CC#CCCCC(=O)NNC(=O)C(=O)NC1CC1 767293878 OXFBTLYZAVKRNN-UHFFFAOYSA-N 251.286 -0.394 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1nccnc1C(C)C 772891109 LVRNRVDJUYXNAG-UHFFFAOYSA-N 287.345 -0.408 50 20 CBGD C[C@H]1CCN(CC(=O)NNC(=O)C2CC2)[C@H]1CO 785515160 MQQNQWCDCUKKJA-WPRPVWTQSA-N 255.318 -0.754 50 20 CBGD COc1cncc(C(=O)NNC(=O)c2cc(C)[nH]n2)n1 790830477 PVJIMRQEJMFOET-UHFFFAOYSA-N 276.256 -0.408 50 20 CBGD C=CCNC(=S)NNC(=O)CS(=O)(=O)CC 798304756 KMLZYHHWGDQRHS-UHFFFAOYSA-N 265.360 -0.898 50 20 CBGD Cc1c(C)c(O)c(C=NNC(=O)C(N)=O)c(C)c1O 799865742 WCLANMNLCPUBHE-UHFFFAOYSA-N 265.269 -0.042 50 20 CBGD CC(C)(C)[C@H](Br)C(=O)N[C@@H](CO)C(N)=O 804355942 RSGZKIGFYPKHFB-NTSWFWBYSA-N 281.150 -0.242 50 20 CBGD C[C@H]1C[C@H](C(=O)NNC(=O)N2CCN(C)CC2)CCO1 807383344 VQMQQOKLWGPLBW-WDEREUQCSA-N 284.360 -0.210 50 20 CBGD CS(=O)(=O)N1CCC(=NNC(=O)Cc2cc[nH]n2)CC1 814954676 JYKAJYZOTQTQMK-UHFFFAOYSA-N 299.356 -0.520 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 823846962 PVBCPTQKTOSWBD-HTQZYQBOSA-N 297.277 -0.211 50 20 CBGD NCCNC(=O)NNC(=O)COc1ccc(F)cc1 841919833 BMYJWRJQTWWZBO-UHFFFAOYSA-N 270.264 -0.506 50 20 CBGD CCNC(=O)N(C)NC(=O)Cc1nc(C2CC2)nn1C 843849046 FZBWMOYGVYLOJO-UHFFFAOYSA-N 280.332 -0.073 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CC1OCCO1 843970364 DYQKFKAJWMWXNI-SFYZADRCSA-N 258.274 -0.678 50 20 CBGD CN(C)C1(C(=O)NNC(=O)NCC(F)(F)F)CC1 847115997 NGDIEENABRKBQI-UHFFFAOYSA-N 268.239 -0.027 50 20 CBGD Cc1nn(CC(=O)NCC(Cl)Cl)c(=O)n1C 848067689 FRARKLUJAVKNOM-UHFFFAOYSA-N 267.116 -0.190 50 20 CBGD CC(C)SCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862451639 ONCSHNJSTPZROC-SSDOTTSWSA-N 259.331 -0.446 50 20 CBGD CC(C)(C)C#CC(=O)NNC(=O)CS(C)(=O)=O 863465775 KYNVBFXMQRFPRO-UHFFFAOYSA-N 260.315 -0.772 50 20 CBGD COC(=O)[C@](C)(NC(=O)c1cccc(B(O)O)c1)C1CC1 863872939 QMKVNZPDBQUXMC-CQSZACIVSA-N 291.112 -0.562 50 20 CBGD CCCCOC(=O)CNC(=O)c1cccc(B(O)O)c1 863874345 PZGLIJDSBZASQE-UHFFFAOYSA-N 279.101 -0.561 50 20 CBGD C[C@@H]1COCCCN1C(=O)c1cc(B(O)O)ccc1F 863876068 NBZYGSSZTOISLA-SECBINFHSA-N 281.092 -0.244 50 20 CBGD CN1CCO[C@@H](C(=O)NNc2cccc(C#N)c2)C1=O 901162273 MAPVMPMGOCIXDD-NSHDSACASA-N 274.280 -0.141 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CN(C)[C@@H]1CCSC1 910160464 JACSAXSGTCKVOX-NXEZZACHSA-N 261.391 -0.233 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCCNC(=O)[C@@H]1C 934812138 QJGDEIZKMJQTPL-VIFPVBQESA-N 270.333 -1.000 50 20 CBGD COC(=O)C(=O)NN[C@@H](C(N)=O)c1ccccc1 1116197527 CTUBLJDFPHNBRV-MRVPVSSYSA-N 251.242 -0.993 50 20 CBGD CC(C)NC(=O)NNC(=O)c1ccc(C(N)=O)[nH]1 1118811919 OBFXHODLBGYKJT-UHFFFAOYSA-N 253.262 -0.534 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(S(C)(=O)=O)o1 1251834377 ZVNDRHWTJBUYHI-UHFFFAOYSA-N 289.313 -0.994 50 20 CBGD COCC(=O)NCCC(=O)NNc1nccnc1Cl 1322882777 LOBWDQXFSFBPJJ-UHFFFAOYSA-N 287.707 -0.274 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1nocc1C 1324369825 NMAFPXFUOCSBGR-UHFFFAOYSA-N 269.261 -0.386 50 20 CBGD O=C(NNC(=O)C1CC1)C(=O)Nc1cnn(CC2CC2)c1 1325505801 GTIUEMZIRZNRPM-UHFFFAOYSA-N 291.311 -0.211 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@H]1CCC(=O)NC1 1327166371 CWZLMUOAVHTLKE-AEJSXWLSSA-N 283.328 -0.525 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCS1(=O)=O)NC1CC1 1327610152 ZIKJZGFNWUZXQF-ZETCQYMHSA-N 261.303 -0.944 50 20 CBGD CC(C)C(=O)NNC(=O)COCc1nncn1C 1330311242 WSMKYLTZMNXWIO-UHFFFAOYSA-N 255.278 -0.865 50 20 CBGD Cc1ccc(NNC(=O)NNC(=O)[C@H]2CCC(=O)N2)nc1 1331534392 UCCZIPOFMLVJFQ-MRVPVSSYSA-N 292.299 -0.674 50 20 CBGD COc1ncccc1C(=O)NNc1nccn(C)c1=O 1339890041 CJOPLRLUVLSLBZ-UHFFFAOYSA-N 275.268 -0.059 50 20 CBGD COCCN(C)NC(=O)[C@@H]1CCS(=O)(=O)C1 1342865273 OIGCDRLPWRDZEX-MRVPVSSYSA-N 250.320 -0.970 50 20 CBGD COc1cc(O)ccc1C=NNC(=O)CS(C)(=O)=O 1351651155 MCXSXYFYFPFILY-UHFFFAOYSA-N 286.309 -0.105 50 20 CBGD C=C(Cl)C[C@H](N)C(=O)NNC(=O)c1cn[nH]c1 1574857463 VMMVEWGSMPPZIV-ZETCQYMHSA-N 257.681 -0.359 50 20 CBGD CNNC(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1578744315 CDPOQQYNEPUQMZ-VIFPVBQESA-N 285.344 -0.183 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@H]2CC[C@H]2C(=O)O)n[nH]1 1594300859 VDRFUNPKWKHKFO-RKDXNWHRSA-N 280.284 -0.481 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CC=CC1)c1cnsn1 1594778836 BGYYNCFRUJNUAW-UHFFFAOYSA-N 282.281 -0.280 50 20 CBGD O=C(O)c1ccoc1S(=O)(=O)N1CC[C@H](B(O)O)C1 1602487165 BIQLQNMLGCQTDD-LURJTMIESA-N 289.074 -0.785 50 20 CBGD C[C@@H](O)CN(C)CC(=O)NNC(=O)c1ccccc1 51822189 FSVRTFOCALXYDB-SNVBAGLBSA-N 265.313 -0.240 50 20 CBGD CCCC[C@@H](NC(N)=O)C(=O)NNC(=O)c1cnn(C)c1 265617718 YRUBPZJZZBMWEM-SECBINFHSA-N 296.331 -0.592 50 20 CBGD CC(C)(O)C(=O)NNC(=O)Cc1cn2ccccc2n1 276163940 ALROAMIDVYVXMC-UHFFFAOYSA-N 276.296 -0.205 50 20 CBGD C#CCO[C@H](C)C(=O)NNC(=O)N1CCOCC1 294830157 XFXVHXZROOXTRJ-SECBINFHSA-N 255.274 -0.902 50 20 CBGD CCOC(=O)NCCC(=O)NNc1ccc(C(N)=O)nn1 493245054 WPLDSQLPBBJOIH-UHFFFAOYSA-N 296.287 -0.845 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCC[C@H](O)C1 584912491 GHAYINSDBKCARK-SKDRFNHKSA-N 263.102 -0.144 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)Nc1cccc(B(O)O)c1 584913388 VHSYMIVIPXKGHE-NSHDSACASA-N 292.144 -0.727 50 20 CBGD CCN(CC)CCNC(=O)c1cc(B(O)O)ccc1F 584924109 PQLVCQWWNKVSJV-UHFFFAOYSA-N 282.124 -0.423 50 20 CBGD NC(=O)CC1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584931136 ZYCQYPMMXAYCAO-UHFFFAOYSA-N 290.128 -0.906 50 20 CBGD CC[C@@H](C#N)NC(=O)c1cc(B(O)O)ccc1F 584936755 MSYHFQGWZMQMCW-QMMMGPOBSA-N 250.038 -0.463 50 20 CBGD CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc(B(O)O)c1 584937836 CRUFDHKOWIPBEC-NXEZZACHSA-N 292.144 -0.601 50 20 CBGD CC1(C)[C@H](NC(=O)c2cccc(B(O)O)c2)[C@H]2CCO[C@H]21 584950926 NUVKXJJGNNZJCG-JHJVBQTASA-N 289.140 -0.090 50 20 CBGD CCC[C@](C)(O)CNC(=O)c1cccc(B(O)O)c1 584954817 OUTSRYHRFBUBLA-ZDUSSCGKSA-N 265.118 -0.353 50 20 CBGD C[C@@](O)(CNC(=O)c1cc(B(O)O)ccc1F)C1CC1 584956050 ZJXMEXQLTFQVQC-CYBMUJFWSA-N 281.092 -0.604 50 20 CBGD CCC[C@H](O)CNC(=O)c1ccc(B(O)O)cc1 584959299 FXSKZQIWARBAHU-NSHDSACASA-N 251.091 -0.743 50 20 CBGD C[C@H](O)[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)c(F)c1 584970888 IOQYGGVIDZJFJN-ZANVPECISA-N 295.119 -0.119 50 20 CBGD CC1(C)[C@H](O)C[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584974269 NDYOQORACADXPY-GHMZBOCLSA-N 281.092 -0.605 50 20 CBGD C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)CC[S@]1=O 584982455 KXNGUPRPYFWWDQ-CFMSYZGJSA-N 295.169 -0.651 50 20 CBGD CC1(C)C[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)CO1 585008699 PPGYCPOPZKTCAY-VIFPVBQESA-N 281.092 -0.197 50 20 CBGD OCC1(CNCc2ccc(B(O)O)cc2)CCOCC1 585029452 GEXPADPKVQZLQF-UHFFFAOYSA-N 279.145 -0.755 50 20 CBGD O=C1[C@@H](NCc2ccccc2B(O)O)C[C@H]2CCCCN12 585044272 DHLVNVFVMLAEDG-OCCSQVGLSA-N 288.156 -0.391 50 20 CBGD CC(C)(C)CC(=O)NCC(=O)N1CC[C@@H](B(O)O)C1 585078299 XNFPKWRROIVRJJ-SECBINFHSA-N 270.138 -0.386 50 20 CBGD Cc1cccc(NC(=S)NNC(=O)Cn2cnnn2)c1 725907075 OWPBVHJOPVHIDK-UHFFFAOYSA-N 291.340 -0.001 50 20 CBGD CS(=O)(=O)CCCC(=O)NNC(=O)c1ccccn1 731179812 FHMAUMKVRIRFES-UHFFFAOYSA-N 285.325 -0.333 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C2(C(N)=O)CC2)c(O)c1 732273914 MASFCULIUCPRSV-UHFFFAOYSA-N 277.280 -0.273 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H](NS(C)(=O)=O)C(C)C 733255600 GDINJHJQBXGERM-QMMMGPOBSA-N 294.377 -0.699 50 20 CBGD O=C(CN1CCC[C@@H]1C(=O)O)NNC(=O)C1CC1 739282556 CYUFODWSIOXULV-MRVPVSSYSA-N 255.274 -0.907 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)c2cccnc2)o1 747373428 MSSHHOQUXRKSQK-UHFFFAOYSA-N 274.236 -0.152 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=O)COCc1ccccc1 755005470 JCHHSYGRZJNPCQ-CQSZACIVSA-N 296.323 -0.252 50 20 CBGD COCC(=O)NNC(=O)Nc1ccc(C(N)=O)cc1F 756821748 TZDSRCXYVZFGLP-UHFFFAOYSA-N 284.247 -0.276 50 20 CBGD COC(=O)CCC(C)=NNC(=O)Cc1cc(O)nc(O)n1 756895866 YOGYKMMNOKIMGE-UHFFFAOYSA-N 296.283 -0.124 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CCO[C@@H](C)C1 770355406 NFTRPBGMZZDSBX-IUCAKERBSA-N 259.306 -0.079 50 20 CBGD CCc1nn(C)cc1C(=O)NNC(=O)C(=O)N1CCCC1 770719819 RRYFMWHDKNNJDE-UHFFFAOYSA-N 293.327 -0.634 50 20 CBGD CC(C)[C@](C)(O)C(=O)NNC(=O)c1cnn(C)c1 771370033 SHDWQXVCMIUSSW-NSHDSACASA-N 254.290 -0.412 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C)nn1C 772038574 XABRSLJWKDBRNK-QMMMGPOBSA-N 282.300 -0.169 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1ccc(F)c(C(N)=O)c1 775490727 XFNRWWVCMHZXKD-UHFFFAOYSA-N 297.290 -0.361 50 20 CBGD O=C(NNc1ccccn1)[C@@H]1CN2CCCN1CC2 777473067 VNNCQQCQXUYZCN-NSHDSACASA-N 261.329 -0.085 50 20 CBGD Cc1cnn([C@H]2CCN(CC(=O)NNC(=O)C3CC3)C2)c1 810123275 HULXEUPGQXUDPJ-LBPRGKRZSA-N 291.355 -0.004 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCc1ncccn1 812605836 BQXCOBOETSNKGI-VIFPVBQESA-N 294.311 -0.102 50 20 CBGD C=C[C@H](O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 816809165 MWXNNWYFQCNZGN-VIFPVBQESA-N 265.225 -0.097 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)[C@@H]2CCCS2)nn1 819821278 VUTFCHKUUKUGFT-QMMMGPOBSA-N 283.313 -0.292 50 20 CBGD CN1C(=O)CC[C@@H](NC(=O)NNC(=O)C2CCC2)C1=O 823906287 XURSWUADPOYDNX-MRVPVSSYSA-N 282.300 -0.736 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CCOC[C@@H]1CCCO1 823971788 ZJHCRMFWEGMAFL-QWRGUYRKSA-N 260.334 -0.084 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)[C@@H](O)C1CC1 826774508 VEPQLFLFABMVQM-LBPRGKRZSA-N 280.280 -0.311 50 20 CBGD O=C(NNc1ccccn1)C1=NN2CCCN=C2N1 831755668 NTZGWJOELHOQAV-UHFFFAOYSA-N 259.273 -0.497 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H]([C@H](C)N)C1 843365173 DNFTXOKJRGFNDU-LPEHRKFASA-N 256.350 -0.399 50 20 CBGD Cn1c(NNC(=O)[C@@H]2[C@H]3CNC[C@H]32)nc2ccccc2c1=O 843369787 NZXDWLPZEWLTLY-IAZYJMLFSA-N 299.334 -0.158 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843647310 YLSTUWWWKBGGJV-VXNVDRBHSA-N 257.290 -0.963 50 20 CBGD CN(NC(=O)[C@@H]1CCCN1C(=O)C1CC1)C(N)=O 843844503 KYNITRJHFYNMPT-QMMMGPOBSA-N 254.290 -0.571 50 20 CBGD Nc1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cn1 853389923 DQGLXMQLSDHYHU-NEPJUHHUSA-N 289.339 -0.023 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=O)c1ccc2c(c1)OCO2 854180583 OHTKGIDEBIOMJE-LLVKDONJSA-N 296.279 -0.162 50 20 CBGD N#CSCCCNC(=O)[C@@H]1CCS(=O)(=O)N1 854364033 XSHXIYGALMSBSK-ZETCQYMHSA-N 263.344 -0.601 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCC[C@H](C)N 857113273 ZCIGLPJUKAJJLG-DTWKUNHWSA-N 276.337 -0.894 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H]2C=CCC2)N1 858608118 IVZARJBWWYRFIB-SFYZADRCSA-N 252.274 -0.686 50 20 CBGD CCC(=O)N1CCC(=NNC(=O)[C@@H]2CCC(=O)N2)CC1 863145578 ONUFLEYJVCVRJE-JTQLQIEISA-N 280.328 -0.230 50 20 CBGD CCOC(=O)/C=C\COc1ccc(B(O)O)cc1 863866728 NKKYSDIPUVPZBN-ARJAWSKDSA-N 250.059 -0.136 50 20 CBGD COC(=O)[C@H]1[C@H](O)CCCN1S(=O)(=O)CCCCl 882105045 QZEHWKGERDOHSN-RKDXNWHRSA-N 299.776 -0.057 50 20 CBGD O=S(=O)(CCCCl)NCCCn1cc(CO)nn1 882207675 UYOHCGNTOSCKCA-UHFFFAOYSA-N 296.780 -0.291 50 20 CBGD C#CCSCC(=O)NNc1nccn(C)c1=O 896827702 JFPSUELRQMAPLR-UHFFFAOYSA-N 252.299 -0.410 50 20 CBGD CC(=O)NNC(=O)CCN1C(=O)C(C)=C(C)C1=O 899928173 YQESBZQQCHJDDD-UHFFFAOYSA-N 253.258 -0.751 50 20 CBGD C=CC(=O)N(CC)CC(=O)NNC(=O)c1cnn(C)c1 900748012 YABMKHIVNLZXPW-UHFFFAOYSA-N 279.300 -0.784 50 20 CBGD C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)NC1CC1 905362889 YEFYMQJPUUJVKH-UWVGGRQHSA-N 281.312 -0.606 50 20 CBGD CCN(CC(C)=O)C(=O)c1cc(B(O)O)ccc1F 908393383 CSVXVQGPOARXLN-UHFFFAOYSA-N 267.065 -0.443 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCc2n[nH]cc2C1 910159652 ADJGWWLQHXXSQE-RKDXNWHRSA-N 252.318 -0.142 50 20 CBGD CO[C@@H](C)CC(=O)NNC(=O)CN1CCCC1=O 913730705 FVOSRDGYAWUNGE-QMMMGPOBSA-N 257.290 -0.819 50 20 CBGD CC1(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1116271622 WUBZZZGMJLPCBN-SSDOTTSWSA-N 275.330 -0.696 50 20 CBGD CCOC(=O)NNC(=O)[C@H]1CCc2nncn2C1 1117783399 HQHIICWROFWOCQ-ZETCQYMHSA-N 253.262 -0.382 50 20 CBGD O=C(CO)NNC(=O)c1ccc(OCC2CC2)nc1 1254645647 PKMTUTJYSKQUGL-UHFFFAOYSA-N 265.269 -0.376 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1nocc1C 1254936828 WRLYICIULJZSFZ-UHFFFAOYSA-N 256.218 -0.301 50 20 CBGD COC(=O)c1ccc(C(=O)N2CC[C@H](B(O)O)C2)o1 1261843552 KPGBHSFEGYDXFX-ZETCQYMHSA-N 267.046 -0.245 50 20 CBGD Cn1nccc1C(=O)NNC(=O)CNC(=O)c1ccco1 1318136501 SWOGXMCJDMNRRE-UHFFFAOYSA-N 291.267 -0.796 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)Cc1ccncc1 1318896551 AWSJKXJGPUXYTK-SECBINFHSA-N 299.352 -0.548 50 20 CBGD NS(=O)(=O)c1ccc(C(=O)NNc2ccccn2)cn1 1319870976 NEMDJBITPINZCQ-UHFFFAOYSA-N 293.308 -0.119 50 20 CBGD O=C(CO)NNC(=O)c1coc(C2CCOCC2)n1 1321286051 BJDRCGLDZLNDQX-UHFFFAOYSA-N 269.257 -0.678 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CC(F)(F)F 1321978546 JOYDHBITNJHKNI-UHFFFAOYSA-N 255.196 -0.389 50 20 CBGD CC(C)C[C@H](CO)NC(=O)NNC(=O)c1ncccn1 1330578394 VLQZKCXRQJGLCB-SECBINFHSA-N 281.316 -0.172 50 20 CBGD CC(C)C1(O)CCN(C(=O)c2cccc(B(O)O)c2)CC1 1349807470 SECNXGPWUHWKFA-UHFFFAOYSA-N 291.156 -0.011 50 20 CBGD CN(Cc1ccon1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1351354360 WXJLYVCSUWBRIK-QMMMGPOBSA-N 281.272 -0.874 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)CN2CC=CCN2)c1 1580075142 SFAPVOKKGPCTLG-UHFFFAOYSA-N 285.307 -0.304 50 20 CBGD CC(=O)NN[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 1588869828 HOZXWOGZBKEPIW-VIFPVBQESA-N 275.272 -0.966 50 20 CBGD COCCCNC(=S)N(C)NC(=O)C1(C(=O)O)CC1 1593994847 WDBUXDNLWICJPW-UHFFFAOYSA-N 289.357 -0.275 50 20 CBGD C[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)C[C@H]1C(=O)O 1594646500 YDKUQBNDUZKSCU-XFWSIPNHSA-N 299.327 -0.195 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cc(C(=O)O)no1 1601355060 STTOCJUZJZZYQQ-UHFFFAOYSA-N 279.212 -0.900 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1CC[C@@H](CCC(=O)O)O1 1606017913 PMWZGEWHAVQAPJ-DTWKUNHWSA-N 287.316 -0.892 50 20 CBGD O=C(CN1CCCC1=O)NN=Cc1ccc(C(=O)O)nc1 1776025028 WHZAOPOQTLCARI-UHFFFAOYSA-N 290.279 -0.148 50 20 CBGD O=C(CN1CCSC1=O)NNC(=O)NCC1CC1 49183934 DJXZANOHZPSWBG-UHFFFAOYSA-N 272.330 -0.104 50 20 CBGD C[C@@H](CS(C)(=O)=O)NS(=O)(=O)CCCCl 81905723 MVKAXEMKVRWJLO-ZETCQYMHSA-N 277.795 -0.032 50 20 CBGD Cc1ccc(C(=O)NNC(=O)c2ccc(=O)n(C)n2)o1 84374124 NFVGWMNTXPHWGH-UHFFFAOYSA-N 276.252 -0.243 50 20 CBGD C#CCN(CC(=O)O)CC(=O)NNC(=O)c1ccccc1 92484014 XJKQSZCYJWPMOT-UHFFFAOYSA-N 289.291 -0.533 50 20 CBGD COCC[C@@H](C)NC(=O)NNC(=O)C(=O)N1CCCC1 263696102 HPZWNDVYSLSHIH-SECBINFHSA-N 286.332 -0.636 50 20 CBGD CN1CCC[C@@H]1C(=O)NNC(=O)c1cccn1C 264028941 RDTWKOVMNUVPQP-SNVBAGLBSA-N 250.302 -0.120 50 20 CBGD C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NN 270207409 IDLRXIFFFDQGJW-AWEZNQCLSA-N 288.307 -0.025 50 20 CBGD COCCOCCC(=O)NNc1nccnc1OC 274074150 KOBANGIEHKFBIG-UHFFFAOYSA-N 270.289 -0.019 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CC[C@H]1C(=O)OC 285709797 DTPXBSPLFXQGJW-JGVFFNPUSA-N 257.290 -0.122 50 20 CBGD CN(C)C(=O)NNC(=O)CNC(=O)NC1CCCCC1 299357391 IBOIQUQCEBJUOU-UHFFFAOYSA-N 285.348 -0.079 50 20 CBGD O=C(NNC(=O)N1CCOCC1)C(=O)Nc1ccccc1 299403467 WQBDFXTXIMOUIP-UHFFFAOYSA-N 292.295 -0.302 50 20 CBGD CN1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)C1 584934584 VDJNXSPAPUELLV-JTQLQIEISA-N 262.118 -0.952 50 20 CBGD C[C@@H](CNC(=O)c1cccc(B(O)O)c1)N(C)C1CC1 584939939 OKTUKIXDISXNPZ-JTQLQIEISA-N 276.145 -0.421 50 20 CBGD COCCC(C)(C)NC(=O)c1cccc(B(O)O)c1 584974671 IAWKFIQSIMMZHP-UHFFFAOYSA-N 265.118 -0.089 50 20 CBGD Cn1ccnc1[C@H](NC(=O)c1ccc(B(O)O)cc1)C1CC1 584988204 HXCMEBNUYNXQTL-CYBMUJFWSA-N 299.139 -0.019 50 20 CBGD CCCN1CC[C@H](NC(=O)c2cccc(B(O)O)c2)C1 585006273 SSPDPQRVGRJGAV-ZDUSSCGKSA-N 276.145 -0.420 50 20 CBGD CC(C)(CNCc1cccc(B(O)O)c1)S(C)(=O)=O 585025811 DHGJWUYMTSDZAK-UHFFFAOYSA-N 285.174 -0.721 50 20 CBGD CCn1cc(CNCc2ccc(B(O)O)cc2)cn1 585040327 IWDTYIGCLUVZQT-UHFFFAOYSA-N 259.118 -0.127 50 20 CBGD C[C@H]1CCN(c2cc(C(=O)NCB(O)O)ccn2)C1 585060899 GZVRXESVSOMAPE-VIFPVBQESA-N 263.106 -0.330 50 20 CBGD O=S(=O)(c1cccnc1Cl)N1CC[C@H](B(O)O)C1 585061461 YDOCTPICZRRFMX-ZETCQYMHSA-N 290.537 -0.028 50 20 CBGD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CC[C@H](B(O)O)C1 585067071 UTQWTDNEPPTCKZ-QMMMGPOBSA-N 280.045 -0.011 50 20 CBGD Cc1cc(NC(=O)NNC(=O)c2cnn(C)c2)n(C)n1 735509242 GCDDFKFBASADPK-UHFFFAOYSA-N 277.288 -0.071 50 20 CBGD Cc1ccc(NNC(=O)NCc2nnnn2C2CC2)nn1 743697200 CHWYPMMPPDIUKF-UHFFFAOYSA-N 289.303 -0.067 50 20 CBGD CC(C)SCC(=O)NNC(=O)C(=O)N1CCCC1 748240598 HJMFHQRMOLXQGV-UHFFFAOYSA-N 273.358 -0.102 50 20 CBGD CC(C)OCCS(=O)(=O)NNC(=O)N1CCOCC1 749012727 UJLJLIXPVBPLMS-UHFFFAOYSA-N 295.361 -0.712 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1cnc(C)nc1 756366759 IQORKTQGTLOIJL-QMMMGPOBSA-N 297.315 -0.011 50 20 CBGD O=C1CC(C(=O)NNc2nc3ccccc3[nH]2)=NN1 768503872 LRLNIEGEULNUJB-UHFFFAOYSA-N 258.241 -0.118 50 20 CBGD CN(NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(N)=O 770437961 FXWDCKWBSMGUDR-UHFFFAOYSA-N 299.294 -0.019 50 20 CBGD CN1CCN(C(=O)NNC(=O)CC[C@H]2CCOC2)CC1 773672743 ILHDGYUVQOQXMF-NSHDSACASA-N 284.360 -0.209 50 20 CBGD O=C(CCCO)NN/C=C1/C(=O)NC(=O)c2ccccc21 783678715 CXNRJOZQEWMRJJ-DHZHZOJOSA-N 289.291 -0.309 50 20 CBGD CCCCCS(=O)(=O)CC(=O)NNC(=O)C(C)(C)O 787950639 OEBBTFMVICMXHQ-UHFFFAOYSA-N 294.373 -0.490 50 20 CBGD O=C(Cn1ccc([N+](=O)[O-])n1)NNc1ncncc1F 817081292 YZWGDDVRCCNWQG-UHFFFAOYSA-N 281.207 -0.136 50 20 CBGD CON(C)C(=O)CNC(=O)NNC(=O)CC(C)(C)C 817794233 MXWXBKKFSVWUKP-UHFFFAOYSA-N 274.321 -0.227 50 20 CBGD CCCN1CC[C@@H](NC(=O)NNC(=O)COCC)C1 823049033 KUJAASCUFKUAFE-SNVBAGLBSA-N 272.349 -0.162 50 20 CBGD CCOC(=O)Cn1cccc(NC(=O)NNC(=O)O)c1=O 833659396 YXVGZHQQPWWRBU-UHFFFAOYSA-N 298.255 -0.285 50 20 CBGD CCN1C[C@@H](NC(=O)NNC(=O)C2CCC2)CC1=O 836611562 RARIZHMAUXBTRX-VIFPVBQESA-N 268.317 -0.262 50 20 CBGD C[C@@](CN)(NCC(=O)NNC(=O)C1CC1)C1CC1 843355901 LSRHITIVOKIIJT-LBPRGKRZSA-N 254.334 -0.739 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)OCC(F)(F)F)C1=O 856022880 OVMCNGAAFKMPII-YFKPBYRVSA-N 283.206 -0.216 50 20 CBGD NC(=O)NCCCCCC(=O)NNC(=O)c1cc[nH]n1 857305463 HBHVPIMBZYVWHW-UHFFFAOYSA-N 282.304 -0.601 50 20 CBGD C[C@@H]1C[C@@H]1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858140559 IKRZEVSYHUYREJ-BWZBUEFSSA-N 254.290 -0.749 50 20 CBGD CCC[C@@H](OCC)C(=O)NNC(=O)C(=O)NC1CC1 858168545 WJFMPUWRZNCQDW-SECBINFHSA-N 271.317 -0.382 50 20 CBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1cnn(C)c1C 863148101 SWMLILVGHQHDAM-SNVBAGLBSA-N 263.301 -0.153 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)CCn1cccn1 867117520 GEGDSNGTEGUCTD-UHFFFAOYSA-N 275.334 -0.621 50 20 CBGD CCOC(=O)/C(C#N)=C\N[C@@H]1CS(=O)(=O)C[C@@H]1C 887274600 XEJIQOZUADYDGY-FBACALJWSA-N 272.326 -0.020 50 20 CBGD CC(C)C[C@H](NCc1ccccc1B(O)O)C(=O)O 901639227 COMCAZRQMKEYOF-LBPRGKRZSA-N 265.118 -0.045 50 20 CBGD CCC1(Cn2cc(C(=O)NN(C)C[C@@H](C)O)nn2)COC1 910151184 ZJNDFXYJUMENII-SNVBAGLBSA-N 297.359 -0.338 50 20 CBGD CCC(=O)N1CCC[C@H](C(=O)NN(C)C[C@@H](C)O)C1 910169417 DFRATHCABOUGFW-MNOVXSKESA-N 271.361 -0.021 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cccc(C(N)=O)c1 910174780 WZHFABYIMXELAO-QMMMGPOBSA-N 251.286 -0.257 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@]2(C)C[C@@H](O)CN2)n1 911882824 IZHNRQPKVBOXRS-SKDRFNHKSA-N 265.317 -0.351 50 20 CBGD O=C(C[C@]1(O)CCCNC1)NNc1ncccn1 912381703 NAAMNWDMGYHOOM-LLVKDONJSA-N 251.290 -0.576 50 20 CBGD CC(=O)NNC(=O)Cn1cnc2sccc2c1=O 912694092 UFYOQYKBQHHXCT-UHFFFAOYSA-N 266.282 -0.375 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)C1(O)CCCCC1 913731538 MKCMUDANPOPMMA-UHFFFAOYSA-N 283.328 -0.549 50 20 CBGD C[C@@H]1NC[C@H](C)N(CC(=O)NNC(=O)C2CC2)[C@@H]1C 923435358 GWZISCBGMOFAQT-LPEHRKFASA-N 268.361 -0.386 50 20 CBGD O=C(N[C@H](CO)C[C@H]1CCCO1)c1ccc(B(O)O)cc1 923751288 ZIWODDCOBWINTR-QWHCGFSZSA-N 293.128 -0.974 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCN1C(N)=O 1118279870 NRDRSLPUMVIUEK-VGMNWLOBSA-N 284.316 -0.898 50 20 CBGD CN(C)CCCNC(=O)NNC(=O)c1ncccn1 1118856056 PZOPPMDGMMJTDM-UHFFFAOYSA-N 266.305 -0.628 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H]1CCCN(C(N)=O)C1 1317808648 GFGDHAMXZUTNOX-QMMMGPOBSA-N 287.389 -0.319 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H](C)c1nnc2n1CCC2 1318361838 BSXJPLUVNGCBIE-QMMMGPOBSA-N 296.331 -0.348 50 20 CBGD C[C@]1(CCC(=O)NNC(=O)Cc2cc[nH]n2)CCC(=O)N1 1325374906 CWEAIOHVTXTOHL-CYBMUJFWSA-N 293.327 -0.452 50 20 CBGD COCCn1ccc(C(=O)N2CC[C@H](B(O)O)C2)n1 1330261267 DUBLOHHCWRNNQM-VIFPVBQESA-N 267.094 -0.782 50 20 CBGD O=C(c1nnc2ccccc2n1)N1CC[C@@H](B(O)O)C1 1330262223 MLMOBDHYUZSHMX-MRVPVSSYSA-N 272.073 -0.286 50 20 CBGD Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](B(O)O)C1 1330262805 ULLCLWQEJJRXJB-ZETCQYMHSA-N 267.050 -0.378 50 20 CBGD C[C@@H](CO)N(C)NC(=O)Cn1cc(C2CC2)nn1 1336011085 NWCISKPHTBGOSK-QMMMGPOBSA-N 253.306 -0.501 50 20 CBGD C[C@H](NNC(=O)COCc1nncn1C)C(F)(F)F 1348384613 XORQLYSKOKDXOI-LURJTMIESA-N 281.238 -0.097 50 20 CBGD CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1cnnn1C 1549319722 JCXZGQNUQJJTKD-ZYHUDNBSSA-N 292.343 -0.482 50 20 CBGD CC#CC[C@@H](N)C(=O)NNc1ccc(-n2ccnc2)nn1 1574972255 LJJAEZGGGLAISL-SNVBAGLBSA-N 285.311 -0.154 50 20 CBGD C[C@]1(C(=O)NNC(=S)Nc2ccccn2)C[C@H](O)CN1 1576351136 WXHNVFWTKUKUMX-QPUJVOFHSA-N 295.368 -0.488 50 20 CBGD C[C@@H]1Cn2nc(C(=O)NNC(=O)c3ccc[nH]3)cc2CN1 1576872248 VKCZQIUULVWIHQ-MRVPVSSYSA-N 288.311 -0.222 50 20 CBGD NCCCCCC(=O)NNC(=O)CC1OCCCO1 1580292823 TVENUPMHUUSSNY-UHFFFAOYSA-N 273.333 -0.194 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1 1591876850 FXTXUXLWPBOKTI-SFYZADRCSA-N 273.289 -0.393 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@@H](CC1OCCO1)C(=O)O 1596864497 WJWCXLHIFBNEEY-FUOZMLNRSA-N 284.268 -0.237 50 20 CBGD Cc1cc(CC(=O)NNC(=O)c2cc(C(=O)O)on2)n[nH]1 1607636070 KSQMITGANWQIDF-UHFFFAOYSA-N 293.239 -0.592 50 20 CBGD CC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 31675088 HWJLUWYIYVVMEZ-UHFFFAOYSA-N 256.283 -0.129 50 20 CBGD O=S1(=O)CC[C@H](CNS(=O)(=O)CCCCl)C1 38084343 UCMSKRWOULCGFZ-MRVPVSSYSA-N 289.806 -0.031 50 20 CBGD CNC(=O)NNC(=O)[C@H]1COc2ccccc2O1 53918952 BMKPDLQOBZCBPM-SECBINFHSA-N 251.242 -0.213 50 20 CBGD CCOCC(=O)NNC(=O)NCCN(CC)CC 66687713 QDRLXVFXRZNBBW-UHFFFAOYSA-N 260.338 -0.305 50 20 CBGD C[C@H](OCC1CC1)C(=O)NNC(=O)Cc1cc[nH]n1 106417687 ZPWCIQNWZXHTRA-QMMMGPOBSA-N 266.301 -0.085 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)O)C(=O)c1cccs1 276333770 YPFSUUCRXAXJCL-UHFFFAOYSA-N 299.352 -0.262 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2CCCN2C(N)=O)n1 279800049 LYFPDTFCXVZFPQ-JTQLQIEISA-N 291.311 -0.306 50 20 CBGD O=C(Cn1cc(Cl)cn1)NNC(=O)C(=O)N1CCCC1 287402219 QHWQFVFJSKXXKY-UHFFFAOYSA-N 299.718 -0.694 50 20 CBGD COC(=O)NC(C)(C)C(=O)NNC(=O)Cc1cc[nH]n1 495068923 SYPFZZVZPVPKBX-UHFFFAOYSA-N 283.288 -0.766 50 20 CBGD CCN1CCC(NC(=O)c2cc(B(O)O)ccc2F)CC1 584925826 PJLWSXIWFLGYHR-UHFFFAOYSA-N 294.135 -0.280 50 20 CBGD Cc1noc(C)c1CCNC(=O)c1cccc(B(O)O)c1 584943245 HEBSGORBHLNUSK-UHFFFAOYSA-N 288.112 -0.056 50 20 CBGD C[C@H](O)C[C@H](C)CNC(=O)c1cc(B(O)O)ccc1F 584948154 AEHRBDKDSXUUIH-IUCAKERBSA-N 283.108 -0.358 50 20 CBGD CC[C@@H]1COCCN1C(=O)c1ccc(B(O)O)c(F)c1 584952561 UVNNLNPXORXNAG-SNVBAGLBSA-N 281.092 -0.244 50 20 CBGD OCCCCCNCc1ccc(B(O)O)cc1F 585039470 VOAOABKZZOCPTI-UHFFFAOYSA-N 255.098 -0.242 50 20 CBGD Cn1ncc(CCCNCc2ccc(B(O)O)cc2)n1 585043364 NSPGKTANVDNHAL-UHFFFAOYSA-N 274.133 -0.783 50 20 CBGD CC(C)CCC(=O)NCC(=O)N1CC[C@H](B(O)O)C1 585067300 SCAYGCURZJFSHO-JTQLQIEISA-N 270.138 -0.386 50 20 CBGD O=C(COC[C@H]1CCCO1)NNC(=O)NCC1CC1 733256599 UKAOZPIJYGAUJY-SNVBAGLBSA-N 271.317 -0.078 50 20 CBGD CN1CCN(CC(=O)NNc2ccc(Cl)nn2)CC1 735689234 PDXBYEFPQJSOAF-UHFFFAOYSA-N 284.751 -0.180 50 20 CBGD C=C(C)CNC(=S)NNC(=O)C(=O)NC(C)C 747756438 DKUZRHDCRWYIQZ-UHFFFAOYSA-N 258.347 -0.418 50 20 CBGD N#Cc1ccc(N2CCC[C@H]2C(=O)NNC(=O)CO)cc1 753446005 YHRZTCIXZGQSSH-LBPRGKRZSA-N 288.307 -0.333 50 20 CBGD COCCC1(C(=O)NNC(=O)Cc2cc[nH]n2)CC1 755259971 CNBOXISDUZIIPK-UHFFFAOYSA-N 266.301 -0.084 50 20 CBGD CN(NC(=O)c1ccnc(O[C@H]2CCOC2)c1)C(N)=O 755710329 XAGHHTUJFAZOEK-VIFPVBQESA-N 280.284 -0.095 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cccc2c1OCO2 763437457 CJALRQCKNUTRMW-UHFFFAOYSA-N 279.252 -0.089 50 20 CBGD Cc1ccc2c(c1)N(C(=O)C(=O)NNC(=O)CO)CC2 764421482 KJUOHKCSDJTANI-UHFFFAOYSA-N 277.280 -0.976 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNc1nccnc1OC 764481982 PGCPGLSLAWIQGT-SSDOTTSWSA-N 267.289 -0.157 50 20 CBGD O=C(N=c1cc[nH]cc1[N+](=O)[O-])NNC(=O)C1CC1 764676261 IFDXLNLEBTXIOT-UHFFFAOYSA-N 265.229 -0.026 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)CC(=O)OC 772183738 BQPKVJPZLDCYJY-YUMQZZPRSA-N 288.300 -0.325 50 20 CBGD CC(C)(CO)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 776318284 UIPGZEFCCOQRGJ-NSHDSACASA-N 294.307 -0.008 50 20 CBGD CCNC(=O)CC(=O)NNc1ccc(C(=O)OC)cn1 780993702 LHOKMRCISFYAFV-UHFFFAOYSA-N 280.284 -0.163 50 20 CBGD COC(=O)CNC(=O)NN=C(C)c1nccnc1C 783523811 KSEBAIOPZDDUNN-UHFFFAOYSA-N 265.273 -0.019 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)CN(C)C(C)=O 807369747 IMUOROQCALWGAV-UHFFFAOYSA-N 289.332 -0.599 50 20 CBGD CC(C)CCC(=O)NCC(=O)NNc1cnnn1C 816769841 YZABXHIIIISERB-UHFFFAOYSA-N 268.321 -0.189 50 20 CBGD CCN(CCO)NC(=O)c1cc2n(n1)CCCO2 823879123 FUKJMRRRHSWSAZ-UHFFFAOYSA-N 254.290 -0.375 50 20 CBGD CCNCCCNC(=O)NNC(=O)[C@H]1CCCCO1 841917647 RDABTUCUYYRXNM-SNVBAGLBSA-N 272.349 -0.115 50 20 CBGD O=C(NNC(=O)[C@]12CCC(=O)N1CCS2)c1ccc[nH]1 844371958 TVOFNUHYWRYNPZ-GFCCVEGCSA-N 294.336 -0.159 50 20 CBGD NC[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccccc1 852894083 MRJROXGKJWLSGI-GHMZBOCLSA-N 263.297 -0.189 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H](C)N1CCSCC1 854923164 KIPGXKFRVARUMH-MRVPVSSYSA-N 276.431 -0.109 50 20 CBGD COCCCOCCC(=O)NNC(=O)c1ncccn1 854953609 WLNSFPGNYLFBTF-UHFFFAOYSA-N 282.300 -0.319 50 20 CBGD CN1N=C(C(=O)NNC(=O)c2cccc(F)n2)CCC1=O 856421671 DLDIEIZMXJWTSN-UHFFFAOYSA-N 293.258 -0.410 50 20 CBGD CO[C@@H](C)[C@@H](C)NC(=O)NNC(=O)c1cn[nH]c1 858468095 BWERHBPPOWPPHO-RQJHMYQMSA-N 255.278 -0.223 50 20 CBGD CSCC[C@H](NC(N)=O)C(=O)NN=c1cc[nH]cc1 860675647 FFAXVNQRXIEJIK-VIFPVBQESA-N 283.357 -0.263 50 20 CBGD N#CSCCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 861551263 LEPPMTDLZNNNNZ-JGVFFNPUSA-N 257.315 -0.260 50 20 CBGD C#C[C@H](NCc1ccccc1B(O)O)[C@@H]1CCCO1 863890841 FPSSCCLINWHGCR-KBPBESRZSA-N 259.114 -0.363 50 20 CBGD COc1ccc2c(c1)CC[C@H](C(=O)NNC(=O)CO)C2 879395278 FCJSMMXPCJTQAL-NSHDSACASA-N 278.308 -0.060 50 20 CBGD COC[C@H](NS(=O)(=O)CCCCl)C(=O)OC 882048353 MCWZNXFREHGPGH-ZETCQYMHSA-N 273.738 -0.277 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCCN1C 898080132 CEQZNPLODNJIHA-OPRDCNLKSA-N 255.318 -0.347 50 20 CBGD CCOC(=O)[C@@H]1CCN([C@@H](C)C(=O)NNC(=O)CC)C1 932640412 AFYVHWUCVFOSQR-VHSXEESVSA-N 285.344 -0.183 50 20 CBGD CC(C)C1(C(=O)NNC(=O)c2cnn(C)c2)COC1 933088855 UPNLQGSGKKSIEE-UHFFFAOYSA-N 266.301 -0.146 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCC(=O)NS(C)(=O)=O 1116917230 FVBCFMVWNOTTRE-BQYQJAHWSA-N 289.313 -0.988 50 20 CBGD C[C@@H]1C[C@@H](CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 1118863026 FNKMCEGTUPWCQF-UTLUCORTSA-N 298.343 -0.590 50 20 CBGD C[C@@H](NNC(=O)c1cnn(C[C@H](O)CO)c1)C(F)(F)F 1118943273 JWFCTTRLLYXYNO-SVRRBLITSA-N 296.249 -0.579 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(C#N)c[nH]1 1318934905 KLCZVMNXHTWKFH-UHFFFAOYSA-N 263.257 -0.828 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cccnc1OC 1321186004 SCGGJFZRMLAMHO-UHFFFAOYSA-N 268.229 -0.584 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(=O)n(CC)n1 1321706428 CSEBVMYAPLDFRB-UHFFFAOYSA-N 253.262 -0.773 50 20 CBGD CNC(=O)NNC(=O)c1cc(Cn2cccn2)on1 1324443663 CNKVBXZVLRWWSD-UHFFFAOYSA-N 264.245 -0.507 50 20 CBGD N#Cc1cc(F)ccc1NC(=O)C(=O)NNC(=O)CCO 1325520269 WQWCECCOMZCCAM-UHFFFAOYSA-N 294.242 -0.834 50 20 CBGD CC(=NNC(=O)C(=O)Nc1ccccn1)c1cnnn1C 1327802605 SFDKBBFZJNNZKQ-UHFFFAOYSA-N 287.283 -0.311 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cccnn1 1329252222 GITLGHWOKRGRON-WPRPVWTQSA-N 279.300 -0.268 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 1335667157 VNJZVYJCJYHMHN-DJLDLDEBSA-N 297.311 -0.553 50 20 CBGD CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)Cc1cc[nH]n1 1336343262 ZWRFHPNPSURTIC-NXEZZACHSA-N 266.301 -0.085 50 20 CBGD CN(NC(=O)c1cccnc1N1CCOCC1)C(N)=O 1337365166 IVKKYODGZWPOEW-UHFFFAOYSA-N 279.300 -0.427 50 20 CBGD C[C@@H]1CCOCCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1339908344 UNOSGZJKCUENIM-BDAKNGLRSA-N 284.316 -0.883 50 20 CBGD Cn1ccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)n1 1549319930 JQCZMJKGOGVVBB-NWDGAFQWSA-N 277.328 -0.267 50 20 CBGD O=C(Cc1ccsc1)NNC(=O)[C@@H]1CC(C(=O)O)=NO1 1574537823 LKTBPKXDEMAMQG-QMMMGPOBSA-N 297.292 -0.333 50 20 CBGD CC[C@@]1(C(=O)NNC(=O)c2cccnn2)CCCN1 1577198765 VUBLVPWMLDIMLT-LBPRGKRZSA-N 263.301 -0.230 50 20 CBGD O=C(NNC(=O)C1CCOCC1)N[C@H]1C[C@@H](C(=O)O)C1 1594782680 FWDVUODCMRMTIW-DTORHVGOSA-N 285.300 -0.393 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H]1CC[C@H](C(=O)O)O1 1595758566 DIVMZAGHQVYKAR-JGVFFNPUSA-N 273.289 -0.251 50 20 CBGD CC(=O)NNC(=O)Nc1nc(CC(=O)O)cs1 1603052133 FTHGVNAESVCRJY-UHFFFAOYSA-N 258.259 -0.057 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C(=O)O)c1cccc(O)c1 1610389481 YVOUFBKSYHROIL-ZCFIWIBFSA-N 267.241 -0.132 50 20 CBGD O=C(CO)NN=Cc1ccn([C@H]2C[C@H](C(=O)O)C2)n1 1776052712 KMYHNNYAWUEICT-XWEPSHTISA-N 266.257 -0.639 50 20 CBGD COCCCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 42900347 CDNYJDYXGXVBCC-JTQLQIEISA-N 279.362 -0.596 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)c2ccc[nH]2)C1 173691490 NRKSVZIQLZJKKY-SECBINFHSA-N 252.274 -0.894 50 20 CBGD COC(=O)NC(C)(C)C(=O)NNC(=O)N1CCOCC1 264242505 YSSBVXINPYMUMJ-UHFFFAOYSA-N 288.304 -0.806 50 20 CBGD COc1cc(C)nc(NNC(=O)C[C@H]2CNCCO2)n1 269220233 NFGQXLSQJKQUCB-VIFPVBQESA-N 281.316 -0.385 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@H]1CCCC(=O)N1 270202511 GREHIBKVUVSYPQ-MRVPVSSYSA-N 264.285 -0.545 50 20 CBGD CC(=O)NNC(=O)c1c(Br)nnn1C 306545731 AWYATPCMQBYYDX-UHFFFAOYSA-N 262.067 -0.642 50 20 CBGD COCC(C)(C)C(=O)Nc1cccc(B(O)O)c1 584912071 KVTWICSBFUEDTH-UHFFFAOYSA-N 251.091 -0.023 50 20 CBGD CCC[C@](C)(CO)NC(=O)c1ccc(B(O)O)c(F)c1 584972093 MWNBOOBVPMJRRP-CYBMUJFWSA-N 283.108 -0.214 50 20 CBGD O=C(N[C@H]1CCSC1)c1cc(B(O)O)ccc1F 584986286 YMBGUPKNMLZVRB-QMMMGPOBSA-N 269.106 -0.259 50 20 CBGD N#CC1(F)CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584988703 RWVFHBRRIKGADR-UHFFFAOYSA-N 294.066 -0.027 50 20 CBGD COC[C@@H](C)[C@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584992865 SARKKOFTAYGUDF-BDAKNGLRSA-N 283.108 -0.094 50 20 CBGD CC[C@@H]1OCC[C@H]1NC(=O)c1cccc(B(O)O)c1 584997683 HDWULEXLYPOJRF-NEPJUHHUSA-N 263.102 -0.336 50 20 CBGD C[C@@H](CNCc1ccc(B(O)O)cc1)[S@@](C)=O 585035166 QMWVQTWDGFGZFS-HUTHGQBESA-N 255.148 -0.777 50 20 CBGD O=C1NCC[C@]1(C(=O)N1CC[C@H](B(O)O)C1)C1CCCC1 585065460 DHQHHQHHOSVJTG-FZMZJTMJSA-N 294.160 -0.242 50 20 CBGD Cc1nc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)cs1 728436785 SNVBKQMTNXWTQF-LURJTMIESA-N 290.370 -0.161 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)N1CCOCC1 732063779 GAXSOPOSKXIPKF-NSHDSACASA-N 280.328 -0.843 50 20 CBGD CC(C)[C@@H](NC(=O)O)C(=O)NNC(=O)N1CCOCC1 736373328 CKLTXZOHTXBDMP-MRVPVSSYSA-N 288.304 -0.648 50 20 CBGD CC(C)[C@H]1CN(C)CCN1CC(=O)NNC(=O)C1CC1 746461622 AJAONWQTRIGWHI-GFCCVEGCSA-N 282.388 -0.184 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)C[C@H](C)C(=O)NC 747967029 JOJSOZZVKQIJPZ-IUCAKERBSA-N 272.349 -0.754 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCSC 748627482 IGTKYAZXWDVOPW-QMMMGPOBSA-N 279.362 -0.269 50 20 CBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)NC(C)C 749600385 SJXJYKYGJZDWKZ-UHFFFAOYSA-N 287.364 -0.818 50 20 CBGD Cn1cc([C@@H](O)CNC(=O)NNC(=O)C2CCCC2)cn1 753344567 NCPJAKDCQZHOHC-NSHDSACASA-N 295.343 -0.026 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=O)Cc1ccncc1 755018050 RYPXSNWANMUWLT-LBPRGKRZSA-N 267.285 -0.831 50 20 CBGD O=C(CN1CCCNC1=O)NNc1ncccc1[N+](=O)[O-] 759292186 XTIKBGCAGCCIPL-UHFFFAOYSA-N 294.271 -0.152 50 20 CBGD CN1CCC(=NNC(=O)CNC(=O)c2ccco2)C1=O 761803604 IPOLFKAPKSMMGY-UHFFFAOYSA-N 278.268 -0.656 50 20 CBGD COCC(=O)NNC(=S)NCCCSC 761836541 DWBHDWLUCBUPLA-UHFFFAOYSA-N 251.377 -0.119 50 20 CBGD COc1c(NC(=O)NNC(C)=O)cccc1C(N)=O 765267327 UHKWSQZPIXMSCJ-UHFFFAOYSA-N 266.257 -0.033 50 20 CBGD CCCn1cc(C(=O)NNC(=O)NCCCOC)nn1 766555301 IBXZFEUTLGVQNG-UHFFFAOYSA-N 284.320 -0.331 50 20 CBGD Cn1cc([C@@H](O)C(=O)NNC(=O)C2CCC2)cn1 773955437 NJXCWXFLEBGVAE-SECBINFHSA-N 252.274 -0.599 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](C)O[C@@H](CO)C1 787320603 MBLLRGMOUMBIAD-LPEHRKFASA-N 273.333 -0.986 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)CC1OCCO1 793553292 DJNMBXACMUZYGB-UHFFFAOYSA-N 287.316 -0.798 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@](C)(O)C1CC1 804302768 IHPPQRAUYIAHRY-NSHDSACASA-N 259.306 -0.486 50 20 CBGD CCC[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 812499256 BPYOPVDUMPSPDO-IWSPIJDZSA-N 291.373 -0.492 50 20 CBGD CCC[C@H](C(=O)NNC(=O)c1ccccc1)S(N)(=O)=O 816816963 NUYPPKAXLASBAS-SNVBAGLBSA-N 299.352 -0.095 50 20 CBGD O=C(NNC(=O)[C@@H]1CCNC1=O)c1ccc(Cl)nc1 822410928 GOPGDGRUCFJUPG-SSDOTTSWSA-N 282.687 -0.368 50 20 CBGD C[C@H](CO)N(C)NC(=O)CNC(=O)CC(C)(C)C 823965618 QHDTYRXKSKAYQR-SECBINFHSA-N 259.350 -0.117 50 20 CBGD Cc1cc(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n(C)n1 826738856 CIZBNGGQILFTRT-MWLCHTKSSA-N 295.343 -0.016 50 20 CBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNc1ccnc(F)c1 831919437 ZOFIQTWMLYUITK-ZETCQYMHSA-N 290.320 -0.008 50 20 CBGD CNC(=S)N(C)NC(=O)CCNC(=O)c1ccco1 854929622 NGYMRVSQYHRVBV-UHFFFAOYSA-N 284.341 -0.133 50 20 CBGD C#CCN1CCC(C(=O)NNC(=O)c2cc[nH]n2)CC1 855359501 UKJIMVRQHBADKB-UHFFFAOYSA-N 275.312 -0.484 50 20 CBGD CC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)c1cc[nH]n1 862167966 IGUUJZGQLHMZNO-SNVBAGLBSA-N 281.316 -0.279 50 20 CBGD C[C@@H](NNC(=O)CN1CC(=O)N(C)C1=O)C(F)(F)F 862324373 KWVGQAYJYVSAER-RXMQYKEDSA-N 282.222 -0.548 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cccc(O)c2O)N1 862461243 NDPPYUJLRYEMBV-SSDOTTSWSA-N 279.252 -0.863 50 20 CBGD CC(=O)CSCC(=O)NNC(=O)c1cn[nH]c1 862470547 QOZFKQLCDPCVSJ-UHFFFAOYSA-N 256.287 -0.507 50 20 CBGD CCOC(=O)[C@@H](CC(=O)NNC(=O)c1cn[nH]c1)C(C)=O 862470903 XWDADKQJJGQFGM-VIFPVBQESA-N 296.283 -0.671 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)c1cn[nH]c1 862475100 YZGWOUPPZQQKGE-LURJTMIESA-N 253.262 -0.915 50 20 CBGD Cc1csc(C(=O)NNC(=O)[C@@H]2CC(=O)N2)c1 862479966 IRZIRMOTQLKRSO-LURJTMIESA-N 253.283 -0.294 50 20 CBGD COCCn1cc(C(=O)NNC(=O)[C@H]2CCCCO2)cn1 868618806 ASLGJZVTKWQJJH-LLVKDONJSA-N 296.327 -0.140 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@H]1CCCNC1=O)C1CC1 869218994 PQRATHHHBAGUEG-CBAPKCEASA-N 284.385 -0.194 50 20 CBGD CC[C@H](C)OCC(=O)NNC(=O)COCCOC 869908478 OETRZTJLKKMJDV-VIFPVBQESA-N 262.306 -0.388 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@@H]1C[C@@H]1C(N)=O 900001086 GGBJYQLQYJQDDF-NTSWFWBYSA-N 258.347 -0.598 50 20 CBGD CCn1cc(C=NNC(=O)C(=O)N2CCCC2)nn1 901181913 GAQVLFCIXLGCKW-UHFFFAOYSA-N 264.289 -0.630 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@@]2(C)C[C@@H](O)CN2)n1 911882821 IZHNRQPKVBOXRS-BXKDBHETSA-N 265.317 -0.351 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@]2(C)C[C@H](O)CN2)n1 911882822 IZHNRQPKVBOXRS-CABZTGNLSA-N 265.317 -0.351 50 20 CBGD CN1CCC(CC(=O)NNC(=O)CN2CCCC2=O)CC1 913732139 JPVBROVGFPGVEL-UHFFFAOYSA-N 296.371 -0.512 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)NCC(F)(F)F)CC1=O 920437005 OEZDUMFJDYLAIU-ZCFIWIBFSA-N 296.249 -0.253 50 20 CBGD COc1ccc(C(=O)NNC(=O)C2CN(C(C)=O)C2)cc1 1116732487 ISPITFDQMOBZOC-UHFFFAOYSA-N 291.307 -0.066 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1cnn(CC)c1 1254935527 JCBIPXOBSTYDKM-UHFFFAOYSA-N 269.261 -0.381 50 20 CBGD CC(=NNC(=O)C(=O)NC(C)C)c1ccc(O)nn1 1255675233 HGUOEJRKYWXVNP-UHFFFAOYSA-N 265.273 -0.453 50 20 CBGD C=C[C@](C)(O)CC(=O)NNC(=O)C(=O)Nc1ccccn1 1261204033 DBFOMFBWWMHADG-ZDUSSCGKSA-N 292.295 -0.505 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CO[C@H]1CCOC1 1261501375 ZJZANOIUCZPZEH-GUBZILKMSA-N 272.301 -0.636 50 20 CBGD CN(C)c1ccc(NC(=O)C(=O)NNC(=O)CCO)cc1 1320358312 PQKDPSAOCICCIC-UHFFFAOYSA-N 294.311 -0.779 50 20 CBGD CN(C)C(=O)c1cc(NC(=O)NNC(=O)CCO)ccn1 1321135650 JYWXKIBHBVTVPQ-UHFFFAOYSA-N 295.299 -0.682 50 20 CBGD O=C(NN=C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1321467324 NSHONQLDXQWYLK-BDAKNGLRSA-N 260.315 -0.440 50 20 CBGD NC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)Cc2cc[nH]n2)C1 1324409498 VYCVMVDTEZGUKV-IUCAKERBSA-N 293.327 -0.609 50 20 CBGD Cc1ncccc1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1328717850 COVVGUPQWGNUMA-SNVBAGLBSA-N 291.311 -0.501 50 20 CBGD O=C(CCCn1ccccc1=O)N1CC[C@@H](B(O)O)C1 1331895629 NCWGSQWHTJKYAM-LLVKDONJSA-N 278.117 -0.296 50 20 CBGD C[S@](=O)CCCNC(=O)NNC(=O)[C@@H]1CCCCO1 1344399512 NRQBQIZDMMFIDR-UGZDLDLSSA-N 291.373 -0.346 50 20 CBGD C[C@H](C(=O)O)n1cccc1C=NNC(=O)[C@@H]1CCC(=O)N1 1589539176 DDPCQLCYUYAQNI-SCZZXKLOSA-N 292.295 -0.138 50 20 CBGD CS(=O)(=O)SCCNC(=O)[C@@]1(C(=O)O)CCCO1 1594171320 JXMINWRXLHKNJI-SECBINFHSA-N 297.354 -0.571 50 20 CBGD CCCN(C(=O)c1cccc(B(O)O)c1)[C@H](C)C(=O)O 1595830017 JESAGPFMGXZVDZ-SECBINFHSA-N 279.101 -0.308 50 20 CBGD COC1([C@H](C)NC(=O)NNC(=O)C(=O)O)CCC1 1599084253 VKGVPPVQOIMCFR-LURJTMIESA-N 259.262 -0.641 50 20 CBGD COC1(CNC(=O)NNC(=O)C(=O)O)CCCCC1 1599089143 DZBKWFYVTWTAHQ-UHFFFAOYSA-N 273.289 -0.249 50 20 CBGD C[C@@H]1CN(CCC(=O)O)CCN1S(=O)(=O)CCl 1609873637 KBAPXPXZSHZVCT-MRVPVSSYSA-N 284.765 -0.007 50 20 CBGD O=C(O)CCC(=O)NNC(=O)N=c1cc[nH]cc1 1611416691 XHLOCTKYKCLBIK-UHFFFAOYSA-N 252.230 -0.479 50 20 CBGD CNC(=O)NNC(=O)c1cnn2c(C)cc(C)nc12 48949928 BRSGTYGKFDXBJS-UHFFFAOYSA-N 262.273 -0.080 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cccc(-c2nnn[nH]2)c1 95193117 TXYJSXYLAJWGSN-UHFFFAOYSA-N 289.299 -0.811 50 20 CBGD N#CC(C#N)=CNNC(=O)Cn1nnc(-c2ccccc2)n1 153326869 GJIUETZYGGIUEU-UHFFFAOYSA-N 294.278 -0.108 50 20 CBGD O=C(CNS(=O)(=O)CCCCCl)N1CCOCC1 163467600 RIPLPIMVGPRFHD-UHFFFAOYSA-N 298.792 -0.216 50 20 CBGD CN1CCN(C)[C@@H](CNS(=O)(=O)CCCCl)C1 225369555 YNLBUDGFPNCESL-JTQLQIEISA-N 283.825 -0.220 50 20 CBGD CCOc1ccc(S(=O)(=O)NCCC(=O)NN)cc1 270268415 ZWXACJXTWTVPBR-UHFFFAOYSA-N 287.341 -0.256 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1COCCO1 274080118 LPQMMBXSCIFPTC-ZETCQYMHSA-N 254.246 -0.656 50 20 CBGD C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)C(=O)NC1CC1 282646228 KSWHIRRBNGNOND-LKEWCRSYSA-N 269.301 -0.774 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1 283044579 NQOXIBUMMGBVEZ-SSDOTTSWSA-N 286.288 -0.567 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)C[C@H]1O 388064650 QPMCDJFAZBSGEX-CMPLNLGQSA-N 277.324 -0.240 50 20 CBGD CCOC(=O)NNS(=O)(=O)N1CC[C@H](C)C1 495707079 GKBXLATWPGPLDP-ZETCQYMHSA-N 251.308 -0.176 50 20 CBGD C[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CCO1 584926245 HNICZLJOQMFLCE-MRVPVSSYSA-N 267.065 -0.634 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCSCC1 584931062 XRQWNBFPZMHVPY-UHFFFAOYSA-N 269.106 -0.306 50 20 CBGD COCCN(C)C(=O)c1ccc(B(O)O)c(F)c1 584932148 HSXCEQOUPRWSNU-UHFFFAOYSA-N 255.054 -0.776 50 20 CBGD CCN(C[C@@H]1CCOC1)C(=O)c1ccc(B(O)O)cc1 584933232 FPZLVQLEYQKOLE-NSHDSACASA-N 277.129 -0.135 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@H]1C1CC1 584967500 LBBQVTBDLXZLOY-ZDUSSCGKSA-N 275.113 -0.383 50 20 CBGD COC[C@H]1CC[C@H]1NC(=O)c1cc(B(O)O)ccc1F 584991292 AELLRPQTCCPIJZ-PRHODGIISA-N 281.092 -0.340 50 20 CBGD C[C@H]1CCC[C@@]1(O)CNC(=O)c1ccc(B(O)O)c(F)c1 584994372 IAMKRYUNLCDEBB-LKFCYVNXSA-N 295.119 -0.214 50 20 CBGD CNC(=O)[C@H]1CCCC[C@H]1NCc1ccc(B(O)O)cc1 585030657 WXKGRKDJOCTEDW-UONOGXRCSA-N 290.172 -0.239 50 20 CBGD O=C1C[C@H](NCc2ccc(B(O)O)cc2)CN1C1CC1 585033236 BPXLDTZYNARNKN-LBPRGKRZSA-N 274.129 -0.781 50 20 CBGD O=S(=O)(NCB(O)O)c1cccc(Br)c1 585053994 FLRVWRBQETWLEK-UHFFFAOYSA-N 293.935 -0.261 50 20 CBGD C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CC[C@@H](B(O)O)C2)C1 585057850 MIBFJRKJVWILQL-GMTAPVOTSA-N 290.194 -0.242 50 20 CBGD CCCNC(=O)NNC(=O)C1(C(=O)NC2CC2)CC1 726161267 FXCDGFMZRDAPGO-UHFFFAOYSA-N 268.317 -0.214 50 20 CBGD O=C(CC[C@H]1CCCCO1)NNC(=O)C(=O)NC1CC1 732052690 RVCUHMQXQDZULQ-SNVBAGLBSA-N 283.328 -0.238 50 20 CBGD CNC(=O)[C@@H]1CCCN1[C@H](C)C(=O)NNC(=O)CC(C)C 732198548 WITDNTJKFUKPSQ-MNOVXSKESA-N 298.387 -0.221 50 20 CBGD CCN(CC)C(=O)CCCC(=O)NNC(=O)NC 732754576 GGZWLBRYCGHRKI-UHFFFAOYSA-N 258.322 -0.015 50 20 CBGD CCCNC(=O)NNC(=O)CN(C)C(=O)C1CC1 733138869 IRJNVUPDXCFPJJ-UHFFFAOYSA-N 256.306 -0.405 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C1CCN(C)CC1 746234401 FGLHFNDPHPXTHW-UHFFFAOYSA-N 265.317 -0.179 50 20 CBGD CN1N=C(C(=O)NNC(=O)Cc2ccncc2)CCC1=O 747322992 GTZVJTRJDRJBLV-UHFFFAOYSA-N 289.295 -0.620 50 20 CBGD CCC[C@@H](O)CC(=O)NNC(=O)c1cnn(C)c1 750314129 IKOKBLLVUNKPOY-SECBINFHSA-N 254.290 -0.268 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)c2cnn(C)c2)CCC1 751979050 FKGQCJBFPVNZLD-UHFFFAOYSA-N 294.311 -0.086 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)C[C@H]1CCC[C@H]1O 755058004 BBWOGIXQZKYINB-GHMZBOCLSA-N 269.345 -0.363 50 20 CBGD CCC1(C(=O)NNc2ccc(C(N)=O)nn2)COC1 757404237 NEWJSXUYNZXYEQ-UHFFFAOYSA-N 265.273 -0.555 50 20 CBGD O=C(NNC(=O)[C@H]1CN2CCCN1CC2)C1CCCC1 763769469 BITMSTZJULEJPB-GFCCVEGCSA-N 280.372 -0.286 50 20 CBGD COCC(=O)NN=C(CNS(C)(=O)=O)c1ccccc1 766713120 QCQXQSZAAQJZFT-UHFFFAOYSA-N 299.352 -0.298 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 768245681 DLIJSDZLZQJPNR-HTQZYQBOSA-N 271.317 -0.804 50 20 CBGD COCCOCC(=O)NNC(=S)NCCSC 770245335 CEQASKWPSZDQFQ-UHFFFAOYSA-N 281.403 -0.492 50 20 CBGD CC[C@@H](OC)C(=O)NNC(=O)N1CCN(C)CC1 773657546 HSKLUHRIMLBQFX-SECBINFHSA-N 258.322 -0.600 50 20 CBGD C[C@H]1C[C@H](C(=O)NNC(=O)c2cnn(C)c2)CCO1 776324863 FOMHXTRIVFCQGM-DTWKUNHWSA-N 266.301 -0.004 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCc1cnccn1 795917612 SEXONQNQOMRRGZ-VIFPVBQESA-N 294.311 -0.102 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)COC(F)F 795954705 MAAIXHFYRSUJNV-UHFFFAOYSA-N 291.210 -0.604 50 20 CBGD CO[C@H](C)CS(=O)(=O)NNC(=O)NC(C)C 800834060 OONPNYUHMSNGHW-SSDOTTSWSA-N 253.324 -0.437 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@]2(C)CCCOC2)CC1 807382431 CIDVVBCJORFWJV-CYBMUJFWSA-N 284.360 -0.209 50 20 CBGD C=C[C@H](O)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1 814551569 VKJKCTIDGHSPDK-NSHDSACASA-N 292.291 -0.154 50 20 CBGD CN1C[C@@H](C(=O)NNC(=O)C2CCOCC2)CC1=O 818384128 GPICLFUNGFZZJM-VIFPVBQESA-N 269.301 -0.961 50 20 CBGD CCC[C@@H](C(=O)NNC(=O)C1CCCC1)S(N)(=O)=O 821754716 PETDODDXQRTYLZ-VIFPVBQESA-N 291.373 -0.219 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CCc2c[nH]nc2C1 823865154 KZDVOMUGLPZVDC-SECBINFHSA-N 252.318 -0.140 50 20 CBGD CN1C(=O)CC[C@H](NC(=O)NNc2cccc(F)n2)C1=O 823906322 YOKKEKKPIPSFNU-ZETCQYMHSA-N 295.274 -0.006 50 20 CBGD C[C@H]1CCCN(C(=O)C(=O)NN(C)[C@@H](C)CO)C1 823934730 JBWYJNHEVRWZRY-UWVGGRQHSA-N 257.334 -0.411 50 20 CBGD CC[C@H](CO)N(C)CC(=O)NNC(=O)C(C)(C)C 830348819 MWOZBAQYUYOYPF-SECBINFHSA-N 259.350 -0.117 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1[C@H]2CCNC[C@H]1CC2 843365149 FGFITVLJEKUGIG-GMTAPVOTSA-N 268.361 -0.241 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnnc1 843980068 QXWBEYRZNNOWBS-VXNVDRBHSA-N 250.258 -0.337 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@@H]1CCCS1(=O)=O 847391453 ZOWDPIXZYDQQED-QMMMGPOBSA-N 275.330 -0.696 50 20 CBGD COCCN(C)NC(=O)[C@H]1CCCS1(=O)=O 848055928 JKFWLOFUMAGCCP-MRVPVSSYSA-N 250.320 -0.827 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=O)[C@@H]1CCCCO1 854683818 UTGRBBIKSHZQGW-DTWKUNHWSA-N 260.290 -0.636 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccn(CCN(C)C)n1 854927699 OVIVHDYNFQFINE-UHFFFAOYSA-N 284.389 -0.474 50 20 CBGD C[C@@H](OCC1CC1)C(=O)NNC(=O)c1cc[nH]n1 855359160 HPKQBGOGOAZXOA-SSDOTTSWSA-N 252.274 -0.014 50 20 CBGD NC(=O)CCCC(=O)NNC(=O)c1cccc(F)n1 856424860 UNPOEDKXSLQZGL-UHFFFAOYSA-N 268.248 -0.363 50 20 CBGD CCCN(CC(F)F)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858695839 HWMWRXTUKUVCFL-ZETCQYMHSA-N 292.286 -0.017 50 20 CBGD CCC[C@@H](NNC(=O)[C@H]1CCC(=O)N1)C(=O)OCC 863378706 JAVZPNJBSAKFBA-RKDXNWHRSA-N 271.317 -0.382 50 20 CBGD COCCCc1nc(-c2cccc(B(O)O)c2)no1 867057026 DEJXTNNVFYUZCR-UHFFFAOYSA-N 262.074 -0.005 50 20 CBGD CC[C@H]1CC[C@H](C(=O)NNC(=O)COCCOC)O1 869909874 LBUHYJDXQRFDHG-VHSXEESVSA-N 274.317 -0.246 50 20 CBGD Cc1coc(C(=O)NNC(=O)C(=O)N2CCCC2)c1 878558748 ODJSXDXWNFLQEF-UHFFFAOYSA-N 265.269 -0.029 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@H]1C(F)(F)F 912095270 ZAHPJQCAJGCQIU-JTQLQIEISA-N 289.018 -0.273 50 20 CBGD O=C(C#Cc1ccccc1)NNC(=O)CN1CCCC1=O 913731815 XRPLPMXJFJVVFF-UHFFFAOYSA-N 285.303 -0.192 50 20 CBGD O=C(NCC(=O)N1CCCCC1)NNC(=O)c1ccc[nH]1 916473575 QZFFIHRGJPFNQI-UHFFFAOYSA-N 293.327 -0.029 50 20 CBGD CC(C)c1cc(C(=O)NNC(=O)CN2CCCC2=O)n[nH]1 920432511 BDORMNRNCTXVJD-UHFFFAOYSA-N 293.327 -0.084 50 20 CBGD CC(C)COCCC(=O)NNC(=O)CN1CCCC1=O 920435199 FQBCHJASMRMQEI-UHFFFAOYSA-N 285.344 -0.181 50 20 CBGD CC(C)C(=O)NNC(=O)NCC1CCS(=O)(=O)CC1 1116381977 ZIYXFPIZEXAZCX-UHFFFAOYSA-N 291.373 -0.202 50 20 CBGD CNC(=O)NNC(=O)c1cn(CCOC)nc1C 1116533657 HEEBFQYMAMZCBR-UHFFFAOYSA-N 255.278 -0.588 50 20 CBGD CC(=O)NNC(=O)CCn1cc([N+](=O)[O-])nc1C 1116628690 TZRVGSCWRYXKLC-UHFFFAOYSA-N 255.234 -0.343 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CCc2nnc(C)n2C1 1320040508 WHZGXYHMFRCMHE-ZETCQYMHSA-N 252.278 -0.891 50 20 CBGD C[C@H](NC(=O)c1ccco1)C(=O)NNc1cnnn1C 1329008658 MCDPTFKJFBEEDI-ZETCQYMHSA-N 278.272 -0.330 50 20 CBGD Cc1c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)nnn1C 1329539462 OLYANBOBMMBDFD-SFYZADRCSA-N 267.289 -0.690 50 20 CBGD COCC(=O)NCCC(=O)NN[C@@H](C)C(F)(F)F 1331671040 OPIMQCBEWGBDNB-LURJTMIESA-N 271.239 -0.289 50 20 CBGD O=C(NC/C=C\Cl)NNC(=O)C(=O)NC1CC1 1343350956 ZYASJMCFLLLXMS-RJRFIUFISA-N 260.681 -0.652 50 20 CBGD CO[C@@]1(C(=O)NN=c2cc[nH]cc2)CCS(=O)(=O)C1 1353989324 JYIGZSFLNINLDV-NSHDSACASA-N 285.325 -0.850 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)[C@H]2C[C@H]2N)cc1 1579727630 UYWJECVMCWEKJY-WDEREUQCSA-N 263.297 -0.132 50 20 CBGD CC1(C)C[C@@]1(C(=O)O)C(=O)NNC(=O)NC1CC1 1589218626 AFFFKTZDYFSVSW-NSHDSACASA-N 255.274 -0.020 50 20 CBGD C[C@@H]1CC[C@H](C(=O)O)CN1C(=O)c1ccc(B(O)O)cc1 1589302723 KJLMXMKZWHUDRG-KOLCDFICSA-N 291.112 -0.308 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNc1cc(C)nc(C)n1 1593910797 ASUBATBVKWNSMZ-QMMMGPOBSA-N 254.246 -0.364 50 20 CBGD CNC(=S)N(C)NC(=O)Cn1ccc(C(=O)O)n1 1606292632 OHUFOAXRJARBBK-UHFFFAOYSA-N 271.302 -0.951 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(C(=O)O)on1 1609880074 VJWSQBNKMSAQLY-RITPCOANSA-N 283.240 -0.441 50 20 CBGD CC(=O)NCCN([C@@H](C)C(=O)O)S(=O)(=O)CCl 1776203668 NIUFOKSPLRIYBC-LURJTMIESA-N 286.737 -0.576 50 20 CBGD C=CCNC(=S)NNC(=O)c1cncc(OC)n1 44551735 FBCCTEHHUMSMKK-UHFFFAOYSA-N 267.314 -0.220 50 20 CBGD CCCCO[C@H](C)C(=O)NNC(=O)C(=O)NC(C)C 68500712 KPEOXCDITBNIBO-SECBINFHSA-N 273.333 -0.136 50 20 CBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccoc1 122176241 LKTMZOVCMBNWJJ-UHFFFAOYSA-N 288.263 -0.134 50 20 CBGD O=C(NC[C@H]1CCCCO1)NNC(=O)C(=O)NC1CC1 139500888 YSEDNSUSLUBDKQ-SECBINFHSA-N 284.316 -0.836 50 20 CBGD COCC[C@H](C)NC(=O)NNC(=O)C(=O)N1CCCC1 263696105 HPZWNDVYSLSHIH-VIFPVBQESA-N 286.332 -0.636 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCOC1 265890711 PWMDBTALSKYDLK-MRVPVSSYSA-N 271.317 -0.525 50 20 CBGD COc1cc(C)nc(NNC(=O)N[C@H]2CC(=O)N(C)C2)n1 267513076 QUHIMODLGPSSGB-QMMMGPOBSA-N 294.315 -0.350 50 20 CBGD CC[C@@H](C(=O)NNc1ncnc2nc[nH]c12)C(=O)OC 282837039 KJIPHVYCPVVNED-LURJTMIESA-N 278.272 -0.005 50 20 CBGD COC(=O)N(C)NC(=O)CCCN1C(=O)CNC1=O 495694160 XYDBZSZIHNOVKI-UHFFFAOYSA-N 272.261 -0.952 50 20 CBGD COC(=O)NCCCC(=O)NNC(=O)N=c1cc[nH]cc1 495788190 RETGWKGZCZZESW-UHFFFAOYSA-N 295.299 -0.208 50 20 CBGD COC(=O)NCC(=O)NNc1nc2ccccn2n1 496291834 JVAUVTFAUBOWSR-UHFFFAOYSA-N 264.245 -0.472 50 20 CBGD CN(C[C@H]1CCC[C@@H]1O)C(=O)c1cccc(B(O)O)c1 584966492 BENQXDUGAFTNOZ-YPMHNXCESA-N 277.129 -0.401 50 20 CBGD O=C(N[C@H]1C[C@@H]2CCCCN2C1)c1ccc(B(O)O)cc1 584997844 KPUMRQIAMMSSNN-KBPBESRZSA-N 288.156 -0.277 50 20 CBGD CC[C@@H]1COC[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 585006139 AYMLUMWFRVJEDY-PELKAZGASA-N 281.092 -0.340 50 20 CBGD CC[C@@H](CCNCc1ccc(B(O)O)o1)N1CCCC1=O 585022247 LEXUCGUDQIZXAX-NSHDSACASA-N 294.160 -0.160 50 20 CBGD CC[C@@H](C)NC(=O)[C@@H](C)NCc1ccc(B(O)O)cc1F 585032734 LCEIUGWDKKPUDZ-NXEZZACHSA-N 296.151 -0.102 50 20 CBGD C[C@H](C[S@@](C)=O)N(C)Cc1ccc(B(O)O)o1 585034333 HYWCHKXPNFAITF-CQLKUDPESA-N 259.136 -0.842 50 20 CBGD COC(=O)NNC(=O)Nc1cnn(CC(=O)N(C)C)c1 747551316 AUFFPDKYECSUSS-UHFFFAOYSA-N 284.276 -0.636 50 20 CBGD CC[C@@H](C)NC(=S)NNC(=O)C(=O)N1CCCC1 749771103 WOIPOFUTKDRDPS-MRVPVSSYSA-N 272.374 -0.097 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=O)Cc1cccnc1 754998755 TVTYOKKOBPELNP-GFCCVEGCSA-N 267.285 -0.831 50 20 CBGD CCC(=O)NNC(=O)Nc1cnn(CC(=O)NC2CC2)c1 756797035 VSSWVNJOSHWBOI-UHFFFAOYSA-N 294.315 -0.276 50 20 CBGD COCC(=O)NNC(=O)Nc1cc(C(=O)OC)n(C)c1 757670407 AVUWZLSDKPWRHR-UHFFFAOYSA-N 284.272 -0.389 50 20 CBGD COCC(=O)NNC(=O)Nc1cccnc1OC 761851220 BBMYPRNZVVOZLA-UHFFFAOYSA-N 254.246 -0.111 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)CN(C)C)CCC1=O 764106213 RWKKDRSGPPMEJI-RKDXNWHRSA-N 255.318 -0.299 50 20 CBGD O=C(NNS(=O)(=O)N1CCOCC1)NC1CCCC1 765060272 OBGGFHIOLGMWJN-UHFFFAOYSA-N 292.361 -0.690 50 20 CBGD COCC(=O)NN[C@H](C(=O)OC)c1cccnc1 771903262 PFUNLIASFHGYDZ-JTQLQIEISA-N 253.258 -0.437 50 20 CBGD CC#CCCNC(=O)NNC(=O)[C@@H](C)OCCOC 776204453 DTYWLZXWYPFENK-SNVBAGLBSA-N 271.317 -0.218 50 20 CBGD CNC(=O)NNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 778646048 MSYBDURZDXBFNJ-UHFFFAOYSA-N 282.212 -0.103 50 20 CBGD CC[C@@H](CO)C(=O)NNC(=O)CNC(=O)c1cccs1 779763051 HOROBIROGDJEOF-QMMMGPOBSA-N 299.352 -0.356 50 20 CBGD Cc1cccc(C(=O)NNC(=O)c2c[nH]c(C(N)=O)c2)n1 794086791 XCGKEPMGDPTOTI-UHFFFAOYSA-N 287.279 -0.108 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H]1CCC[C@H]1C(=O)NC 794577423 QYXGDGZILKTJBT-AEJSXWLSSA-N 284.360 -0.563 50 20 CBGD CN(C)CC(=O)NNC(=O)Cc1ccc([S@@](C)=O)cc1 798109469 RTOYQUUVKVIHTM-HXUWFJFHSA-N 297.380 -0.325 50 20 CBGD O=C(CCOC[C@@H]1CCCO1)NNc1nc[nH]n1 816633457 BZDHUFNNWBPRAO-QMMMGPOBSA-N 255.278 -0.167 50 20 CBGD CCN(C)C(=O)CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 826537705 PGWJGKNVODMLOM-BDAKNGLRSA-N 286.332 -0.780 50 20 CBGD CO[C@@H]1COC[C@H]1NC(=O)NNc1nc2ccccn2n1 827930058 HDFGMPABXMYNDE-RKDXNWHRSA-N 292.299 -0.231 50 20 CBGD C[C@@H]1CCCN1S(=O)(=O)NNC(=O)[C@@H]1CCCCO1 830038068 ZHEATQFHXGMLSI-ZJUUUORDSA-N 291.373 -0.095 50 20 CBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNc1cnccn1 832394750 AZAHIFKUPBYMIG-ZETCQYMHSA-N 273.318 -0.753 50 20 CBGD O=C(NNC(=O)C1CCSCC1)c1ncon1 832825960 MZNKRDRAFBHPHT-UHFFFAOYSA-N 256.287 -0.026 50 20 CBGD O=C(NN[C@H](C(=O)O)c1ccccc1F)[C@@H]1COCCO1 833149547 UBZHNUWUZWQZEI-QWRGUYRKSA-N 298.270 -0.012 50 20 CBGD CN1CCCC[C@@H]1C(=O)NNC(=O)c1cc[nH]n1 855356076 GRBPZZGLZMVNLO-SECBINFHSA-N 251.290 -0.345 50 20 CBGD CC(C)CC(=O)NCCC(=O)NNc1cnnn1C 857271533 PHMOBHOVFQUFLP-UHFFFAOYSA-N 268.321 -0.189 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)C(C2CC2)C2CC2)N1 862457089 AUBDOWVVYSOLAK-VIFPVBQESA-N 265.313 -0.151 50 20 CBGD CCCn1nccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862464447 YVECCDYMRSAQMW-MRVPVSSYSA-N 279.300 -0.667 50 20 CBGD O=C1CC[C@H](C(=O)NNS(=O)(=O)CCCCCl)N1 863413089 PDPYOAIJMUXTBP-SSDOTTSWSA-N 297.764 -0.765 50 20 CBGD CC[C@@]1(C(=O)NNc2ncc(F)cn2)CCNC1=O 867042474 IMECBWUVAYIGRG-LLVKDONJSA-N 267.264 -0.025 50 20 CBGD CC[C@]1(C(=O)NNC(=O)[C@@H]2CCCCO2)CCNC1=O 868619036 FWYIHJOOJJMZLL-ZANVPECISA-N 283.328 -0.381 50 20 CBGD OC[C@H](C[C@@H]1CCCO1)NCc1ccc(B(O)O)cc1 895746525 DQTZNJZOXNVTQD-KBPBESRZSA-N 279.145 -0.614 50 20 CBGD CC(C)N1CCN(CCC(=O)NNC(=O)N(C)C)CC1 900428070 RZGBPTJJIORXCS-UHFFFAOYSA-N 285.392 -0.295 50 20 CBGD CCN(CCO)NC(=O)c1cccn2nnnc12 911442537 BDXNVGHYKKHPPV-UHFFFAOYSA-N 250.262 -0.917 50 20 CBGD O=C(Cc1cc(O)nc(S)n1)NN=Cc1ncc[nH]1 1116009353 YTOAVWQHOSOFQH-UHFFFAOYSA-N 278.297 -0.113 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(CN(C)C)on1 1118219568 ULDCXTZJCMWEOQ-WCBMZHEXSA-N 296.327 -0.078 50 20 CBGD C[C@H](Cc1cnn(C)c1)C(=O)NNc1cnnn1C 1118827263 JKRBUFIMJTUADA-MRVPVSSYSA-N 263.305 -0.130 50 20 CBGD O=C(CCCn1cccn1)NNC(=O)C(=O)NC1CC1 1251411346 OVONKTMQDKYVCT-UHFFFAOYSA-N 279.300 -0.911 50 20 CBGD O=C(CSc1cccc[n+]1[O-])NNC(=O)C1CC1 1317803700 RJMPYSFFXINCNO-UHFFFAOYSA-N 267.310 -0.031 50 20 CBGD CNS(=O)(=O)c1ccc(C(C)=NNC(=O)CCO)cc1 1319365641 VOQHYAWSJAHQLA-UHFFFAOYSA-N 299.352 -0.183 50 20 CBGD O=C(CCc1nc[nH]n1)NNC(=O)NCc1ccco1 1323580550 VIPKLLRHXSCODO-UHFFFAOYSA-N 278.272 -0.139 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cccc2c1COC2=O 1324144172 WGRHKGKRAXTGLX-UHFFFAOYSA-N 285.281 -0.521 50 20 CBGD CNC(=O)NNC(=O)CCc1ccccc1C(N)=O 1326799445 PIMPKRBHWTVHSE-UHFFFAOYSA-N 264.285 -0.322 50 20 CBGD Cc1noc(C)c1CC(=O)N1CC[C@@H](B(O)O)C1 1329672942 SRVMCSNXQNJUOX-SECBINFHSA-N 252.079 -0.091 50 20 CBGD CC(=O)NNC(=O)c1cn(Cc2ccccn2)nn1 1330505724 WKRKTOBYRWUSHR-UHFFFAOYSA-N 260.257 -0.498 50 20 CBGD C=CCNC(=S)NNC(=O)CN1CCC(CO)CC1 1335950734 JOCFKBBTKJHUJE-UHFFFAOYSA-N 286.401 -0.628 50 20 CBGD Cc1cc(NC(=O)C(=O)NNC(=O)CC2CC2)no1 1342600377 IZJHYASFJNKVJL-UHFFFAOYSA-N 266.257 -0.131 50 20 CBGD CN1CC[C@@H]2CN(C(=O)NNC(=O)c3cn[nH]c3)C[C@@H]21 1348123171 RWSFHRHZXGNHOG-SCZZXKLOSA-N 278.316 -0.600 50 20 CBGD O=C(c1cn2cccnc2n1)N1CC[C@@H](B(O)O)C1 1351729110 MRZJWOKMUANCFK-MRVPVSSYSA-N 260.062 -0.582 50 20 CBGD CCn1cc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)nn1 1550697937 YLROGDDRIIOODM-NWDGAFQWSA-N 292.343 -0.389 50 20 CBGD N[C@H]1CCC[C@@H](NC(=O)c2cc(B(O)O)ccc2F)C1 1580175501 GEBCVLPSXQULRJ-VHSXEESVSA-N 280.108 -0.495 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)c1ccc(C)cc1O 1593911744 RFSRBCOSNNUMIB-SECBINFHSA-N 282.252 -0.439 50 20 CBGD CCO/C=C(\C#N)C(=O)Nc1n[nH]c(CC(=O)O)n1 1596864565 UFYMHQDGWGTHKT-AATRIKPKSA-N 265.229 -0.186 50 20 CBGD CN(NC(=O)Cc1ccc(C(=O)O)cc1)C(N)=O 1598540812 FPSIKWVHCKVAQD-UHFFFAOYSA-N 251.242 -0.031 50 20 CBGD O=C(CN1C[C@@H]2CCC[C@]2(C(=O)O)C1)NNC(=O)C1CC1 1601318239 RDDQHBOUXPHSGV-HZMBPMFUSA-N 295.339 -0.270 50 20 CBGD O=C1CC[C@@H](C(=O)NN[C@H](C(=O)O)c2ccccc2)N1 1602638018 KYBHSXCGTGBEOL-ONGXEEELSA-N 277.280 -0.288 50 20 CBGD CC(=NNC(=O)NCC(=O)O)c1cc(C)n(C)n1 1602987398 PAKJTYUJDHVQHU-UHFFFAOYSA-N 253.262 -0.164 50 20 CBGD O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1cn[nH]n1 48890220 QXPYQWKBKGKPSI-UHFFFAOYSA-N 275.272 -0.519 50 20 CBGD NC(=O)NC1(C(=O)NNC(=O)CCc2ccccc2)CC1 163109578 MUAIAHHBCFTKMT-UHFFFAOYSA-N 290.323 -0.033 50 20 CBGD CC(=O)NCCCNC(=O)NNC(=O)C(C)(C)C 193857682 GSNOJESUNKJLSE-UHFFFAOYSA-N 258.322 -0.111 50 20 CBGD C[C@@H](OC[C@H]1CCCO1)C(=O)NNC(=O)c1cnn(C)c1 265330705 NVKKPUFOYJMXOK-MWLCHTKSSA-N 296.327 -0.235 50 20 CBGD COCCN1C[C@H](C(=O)NNc2cccnn2)CC1=O 265568568 VPBHUBUVCYHXST-SECBINFHSA-N 279.300 -0.585 50 20 CBGD COC1(C(=O)NNC(=O)C(=O)N2CCCC2)CCC1 272922453 BBWHXSCDECMZDJ-UHFFFAOYSA-N 269.301 -0.675 50 20 CBGD COC1(CC(=O)NNC(=O)C(=O)NC(C)C)CCC1 276635308 MUMRDCQFIQYYQK-UHFFFAOYSA-N 271.317 -0.382 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CC[C@H](C(=O)OC)O1 290431595 HAIRWGBLVWKKAS-JGVFFNPUSA-N 287.341 -0.612 50 20 CBGD COc1cccc(NNC(=O)CCn2ncn(C)c2=O)n1 293355906 CGYVHDJRVOHWLU-UHFFFAOYSA-N 292.299 -0.481 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)COCC1CC1 299695217 SSXXGESUUOXRTK-UHFFFAOYSA-N 295.295 -0.417 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1NC(=O)O[C@@H]1C 496316024 YDYQFEZPDYXMFB-PHDIDXHHSA-N 267.245 -0.575 50 20 CBGD CON(C)C(=O)CNC(=O)NNC(=O)OC(C)(C)C 497215208 PYTUKABUXGRDKJ-UHFFFAOYSA-N 276.293 -0.255 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCn2ccnc2C1 584910525 BWCKBVDFMGKNMI-SNVBAGLBSA-N 285.112 -0.236 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)Nc1cccc(B(O)O)c1 584913433 WOXKDIFHUYKNMQ-SNVBAGLBSA-N 279.105 -0.858 50 20 CBGD C[C@]1(C(=O)Nc2cccc(B(O)O)c2)CCCNC1=O 584914116 PTXLFOXDEFEOSG-ZDUSSCGKSA-N 276.101 -0.779 50 20 CBGD CN1CCC(CNC(=O)c2ccc(B(O)O)c(F)c2)CC1 584938127 IQZRGKUKCRMFKY-UHFFFAOYSA-N 294.135 -0.423 50 20 CBGD COCC(C)(C)NC(=O)c1ccc(B(O)O)c(F)c1 584939941 OMHXCACOZZCXCB-UHFFFAOYSA-N 269.081 -0.340 50 20 CBGD CS[C@H](C)CNC(=O)c1cc(B(O)O)ccc1F 584965455 OLSQZBQUWPIKLK-SSDOTTSWSA-N 271.122 -0.013 50 20 CBGD CO[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584969639 OSJBXKLLIIKNQR-GFCCVEGCSA-N 263.102 -0.383 50 20 CBGD CC(C)(C)[C@H](CO)NC(=O)c1cccc(B(O)O)c1 584981429 GEAFGMIJBPVJAK-NSHDSACASA-N 265.118 -0.497 50 20 CBGD CC[C@H](NC(=O)c1ccc(B(O)O)cc1)[C@H](O)C(C)C 585001772 CUPIXPMEJLASLY-QWHCGFSZSA-N 279.145 -0.108 50 20 CBGD CC1(C)OC[C@@H]2C[C@@]21NC(=O)c1ccc(B(O)O)c(F)c1 585010856 YSXINJJDKITORT-LKFCYVNXSA-N 293.103 -0.197 50 20 CBGD O=C1CCC[C@H](CNCc2cccc(B(O)O)c2)N1 585038884 MGDNWYUURRJOSU-GFCCVEGCSA-N 262.118 -0.875 50 20 CBGD OB(O)c1ccc(CNCC2[C@@H]3COC[C@@H]23)c(F)c1 585040310 INTIHHHIDYBARY-RYUDHWBXSA-N 265.093 -0.513 50 20 CBGD OC[C@H](NCc1ccc(B(O)O)cc1)[C@H]1CCCOC1 585045471 BHXPTAPMZCZKMO-JSGCOSHPSA-N 279.145 -0.757 50 20 CBGD O=C(NCB(O)O)c1ccc(S(=O)(=O)C(F)F)cc1 585058624 LCARGURGCGTLEG-UHFFFAOYSA-N 293.056 -0.575 50 20 CBGD COc1ccccc1-n1ncc(C(=O)NCB(O)O)c1C 585063052 RMLCQCHZJOAKEQ-UHFFFAOYSA-N 289.100 -0.069 50 20 CBGD O=C(c1ccccc1)c1nc[nH]c1C(=O)NCB(O)O 585063349 XGALEWFFYIDEIA-UHFFFAOYSA-N 273.057 -0.618 50 20 CBGD CO[C@H](C)CCNC(=O)NNC(=O)c1cnn(C)c1 735514407 YNLWHRHJTXZMJB-MRVPVSSYSA-N 269.305 -0.211 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@@H](C)COC 748635089 ZQLOGFGRIQKWHU-NXEZZACHSA-N 291.348 -0.349 50 20 CBGD CC(C)C(=O)NNC(=O)c1ccc(C(N)=O)cn1 748830930 KHIPDBAFXJLSNS-UHFFFAOYSA-N 250.258 -0.403 50 20 CBGD CO[C@@H](C)CC(=O)NNC(=O)C(=O)N1CCCC1 749601590 UFCANQLNWSZGKD-QMMMGPOBSA-N 257.290 -0.819 50 20 CBGD CCN1CCN(CCC(=O)NNc2ncccn2)CC1 750665737 JFLANJRXQBABSS-UHFFFAOYSA-N 278.360 -0.053 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C2(C(N)=O)CC2)o1 752778131 QUDHDOVSFBTCRT-UHFFFAOYSA-N 251.242 -0.385 50 20 CBGD O=C(CO)NNC(=O)c1cccc(OCC(F)F)n1 753440273 YXDPGIGORZYXGK-UHFFFAOYSA-N 275.211 -0.521 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCN2CCC[C@H]12 765575077 GGTCTWNCAXVKAJ-PSASIEDQSA-N 288.373 -0.736 50 20 CBGD CC(=NNC(=O)C(=O)NC(C)C)c1ccnn1C 766001768 ITFDANFSKUSAPB-UHFFFAOYSA-N 251.290 -0.215 50 20 CBGD CCCCS(=O)(=O)NCC(=O)NN(C)C(=O)NCC 768411024 UEZGDOBVRVESOQ-UHFFFAOYSA-N 294.377 -0.602 50 20 CBGD CC(C)C(=O)NNC(=O)CNC(=O)c1cccc(O)c1 778291882 IBGQJKYMJAWHOL-UHFFFAOYSA-N 279.296 -0.075 50 20 CBGD COc1ccnc(NNC(=O)NCCOCCN(C)C)n1 788013247 IUVSQLNGFDIBGI-UHFFFAOYSA-N 298.347 -0.311 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)CC(C)(C)O)n1 792023057 RDOBIEYBRQLHFR-UHFFFAOYSA-N 268.317 -0.192 50 20 CBGD COC1(C(=O)NNC(=O)N=c2cc[nH]cc2)CCOCC1 796664328 SDJSBLPCKPSSCP-UHFFFAOYSA-N 294.311 -0.148 50 20 CBGD CN(NC(=O)[C@@H]1CCCc2nn(C)cc21)C(N)=O 798987172 KXFFBOKQVGSXAY-SSDOTTSWSA-N 251.290 -0.118 50 20 CBGD COCC(=O)NN=C1CCN(CC(C)(C)O)CC1 814223801 PYQPSGUSZGPPAU-UHFFFAOYSA-N 257.334 -0.028 50 20 CBGD COc1cnc(C(=O)NNC(=O)c2c[nH]nc2C)nc1 815506238 QHMXEZLMQSWFKJ-UHFFFAOYSA-N 276.256 -0.408 50 20 CBGD O=C(CC1CC1)NNC(=O)C1(C(=O)NC2CC2)CC1 819131545 IEXFQNZJJAXPEY-UHFFFAOYSA-N 265.313 -0.007 50 20 CBGD C[C@@H](CO)N(C)NC(=O)Cc1ccc(-n2cnnn2)cc1 823977291 TUPQIDOJLRHWOS-JTQLQIEISA-N 290.327 -0.451 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](CO)C1CC1 827282047 JYYXMOGSYPMZIN-UJNFCWOMSA-N 271.317 -0.487 50 20 CBGD CCOC(=O)CN(CC)CC(=O)NNC(=O)C(C)C 827511809 ZFWPEJCAOWKAAG-UHFFFAOYSA-N 273.333 -0.325 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@H]1C(=O)O 828441909 VKPURPBKPBAOSM-APPZFPTMSA-N 269.301 -0.804 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@H]1CCOC1 843661395 ZDQNPQPELKENLM-BBBLOLIVSA-N 256.302 -0.015 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCN1CCOCC1 843976654 YMYDYINTVSDBCA-WDEREUQCSA-N 285.344 -0.719 50 20 CBGD Cn1cc([C@@H](O)CNS(=O)(=O)CCl)cn1 849379242 NYYLEBUIPIIIJF-ZETCQYMHSA-N 253.711 -0.431 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@@](C)(O)COC 854282567 MCUZPURCAXFPSF-NSHDSACASA-N 293.389 -0.742 50 20 CBGD C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858198585 VDLSUYMQSYBPOU-HLTSFMKQSA-N 268.317 -0.216 50 20 CBGD CC[C@@H](COC)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858240937 VDWNDXWGUIOJGE-YUMQZZPRSA-N 272.305 -0.980 50 20 CBGD COCCCN(C)CCNC(=O)NNC(=O)c1cn[nH]c1 858248897 FDHWFACFLRJJGT-UHFFFAOYSA-N 298.347 -0.678 50 20 CBGD C[C@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)N(C)C1CC1 858283905 USZYVQLQLABASZ-SCZZXKLOSA-N 297.359 -0.922 50 20 CBGD COC1([C@@H](C)NC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCC1 858543033 PFFFVBMZNWMAEN-RKDXNWHRSA-N 298.343 -0.447 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cn(C2CC2)nn1 860667464 DKJLJLPGNAHUFM-UHFFFAOYSA-N 252.278 -0.081 50 20 CBGD Cc1cc(=NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc[nH]1 860848235 YPFIVQDEWPPCJO-SECBINFHSA-N 277.284 -0.757 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc(O)n1 862461311 NMTSGNKNKRVQHP-QMMMGPOBSA-N 278.268 -0.865 50 20 CBGD Cc1ncsc1/C=C\C(=O)NNC(=O)[C@H]1CCC(=O)N1 862462398 WRHOAGLHTVORQM-QIUOEGRZSA-N 294.336 -0.109 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)c1cn[nH]c1 862472373 LFPMYGZUAVVXRD-SSDOTTSWSA-N 268.277 -0.992 50 20 CBGD COc1nn(C)cc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 883972724 SMVOXDJVPWMRKP-HTQZYQBOSA-N 282.300 -0.385 50 20 CBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@H]2C[C@@H](O)C2)C[C@@H](C)O1 895510917 JIYZKYIHTVDKSN-BKUVIOGVSA-N 299.371 -0.596 50 20 CBGD C=CC(=O)N(CC)CC(=O)NNC(=O)c1ccc[nH]1 899993323 XPLZQVHAALFZEP-UHFFFAOYSA-N 264.285 -0.190 50 20 CBGD COC(=O)c1cncc(C(=O)NN(C)C[C@H](C)O)c1 910155041 IZWITUOAKHYITE-QMMMGPOBSA-N 267.285 -0.174 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CN1C(=O)COc2ccccc21 910177053 IRBGZSJIQUXYEV-SNVBAGLBSA-N 293.323 -0.244 50 20 CBGD Cc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 913173113 JHZKWBLMEQJHGU-SNVBAGLBSA-N 297.336 -0.417 50 20 CBGD CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NN)o1 915138967 AMLFELQBXMSXQM-UHFFFAOYSA-N 261.303 -0.040 50 20 CBGD CC(C)NC(=S)NNC(=O)CCN1CCCC1=O 1115967260 LIYHOXBLVDHGCG-UHFFFAOYSA-N 272.374 -0.097 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1cncc(F)c1 1256560265 NTPRNEBKNHZVHS-UHFFFAOYSA-N 270.220 -0.064 50 20 CBGD Cn1cccc1C(=O)C(=O)NNC(=O)Cc1cccnc1 1259191057 IDWCKXFJZDHJRB-UHFFFAOYSA-N 286.291 -0.007 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2CC23CCOCC3)N1 1261790576 PHUQQWSQUJYCIY-RKDXNWHRSA-N 296.327 -0.836 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@@H]2CCCO2)nn1 1319075820 CGOGAINWYQZOTN-ZETCQYMHSA-N 251.246 -0.802 50 20 CBGD Cc1noc(C(F)(F)F)c1C(=O)NNC(=O)CO 1320376091 AQOPJOVKWOAJSD-UHFFFAOYSA-N 267.163 -0.245 50 20 CBGD CN1CC[C@H](C(=O)NNc2nncc(N)c2Cl)C1=O 1320416285 FIWLXJPOHJSLCR-RXMQYKEDSA-N 284.707 -0.366 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CCCCN1C1CC1 1321161292 JSQXYHHDHMMNHV-JTQLQIEISA-N 298.343 -0.493 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC1(SC)CC1 1324876541 GUJIKZNXSKEFLD-UHFFFAOYSA-N 261.303 -0.615 50 20 CBGD COc1cncc(NC(=O)C(=O)NNC(=O)C(C)(C)C)n1 1326514253 DLSLRTFNLSYEQO-UHFFFAOYSA-N 295.299 -0.383 50 20 CBGD CCOC1(C(=O)NNC(=O)c2ccnnc2)CCOCC1 1328691899 XTENINSUSACAGI-UHFFFAOYSA-N 294.311 -0.177 50 20 CBGD O=C(CN1CC[C@H]2NC(=O)CC[C@@H]2C1)NNC(=O)C1CC1 1330576770 PEQLZNWINUTYNQ-GHMZBOCLSA-N 294.355 -0.856 50 20 CBGD CNC(=O)c1cccc(C(=O)N2CC[C@H](B(O)O)C2)c1 1331826238 IBHWLGPCLITIPZ-NSHDSACASA-N 276.101 -0.265 50 20 CBGD NC(=O)C(=O)NNC(=O)c1cccc(OC(F)F)c1 1332353822 CUXZCZSYTOGNDN-UHFFFAOYSA-N 273.195 -0.466 50 20 CBGD O=C(Cn1cc(C2CC2)nn1)NNC(=O)C1CCOCC1 1335107922 VQMHKFNTKAVRRI-UHFFFAOYSA-N 293.327 -0.271 50 20 CBGD Cc1nnc(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)s1 1347804037 CHBRQCNTGVZZEJ-SVRRBLITSA-N 284.341 -0.039 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CCc1ccoc1 1348435501 FIDMMJNERROBHI-UHFFFAOYSA-N 274.298 -0.596 50 20 CBGD C[C@@H]1[C@H](C(=O)NNC(=O)[C@H]2CCCNC2)CCN1C 1579471574 QHWHIIWOGLFTPQ-OUAUKWLOSA-N 268.361 -0.526 50 20 CBGD N[C@H]1CCCC[C@H]1C(=O)NNC(=O)c1cnn[nH]1 1580176451 GLLUGOQJEJEHLS-RQJHMYQMSA-N 252.278 -0.917 50 20 CBGD C[C@H]1CCCCN1[C@H](C)CNC(=O)NNC(=O)C(=O)O 1594374146 HYEZOGPWBKNFPR-DTWKUNHWSA-N 286.332 -0.336 50 20 CBGD O=C(NNc1ncccn1)N[C@H]1C[C@H](C(=O)O)C1 1594781320 KKUBJXYRMNETOV-LJGSYFOKSA-N 251.246 -0.034 50 20 CBGD O=C(O)c1cnc(C(=O)NNC(=O)[C@H]2CCCO2)cn1 1595266468 NNJCBCMLVRIAGR-MRVPVSSYSA-N 280.240 -0.885 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccc(C(=O)O)s2)nn1 1600933246 ZSPLFYFGIJXSIW-UHFFFAOYSA-N 295.280 -0.350 50 20 CBGD COCCOCC(=O)NNC(=O)C1(C(=O)O)CCC1 1604617320 AUGHGIZKLIGKGQ-UHFFFAOYSA-N 274.273 -0.948 50 20 CBGD O=C(CCc1cnn[nH]1)NNc1ncccc1C(=O)O 1605687303 LCXCSAZWVMASGB-UHFFFAOYSA-N 276.256 -0.026 50 20 CBGD O=C(Cn1cccc(C(=O)O)c1=O)NNc1ccncn1 1608379616 XHKLHIAUCHXMBH-UHFFFAOYSA-N 289.251 -0.520 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(=O)O)n1C 1609878761 LFMQLQPGZFBVIK-YUMQZZPRSA-N 295.295 -0.091 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@H](C(=O)O)CC1)N1CCOCC1 1610700972 YOQGTKRUYMKNPE-MGCOHNPYSA-N 299.327 -0.050 50 20 CBGD COc1ccnc(NNC(=O)CN2CCN(C)CC2)n1 109945809 OLYMCAPQMGJPSK-UHFFFAOYSA-N 280.332 -0.824 50 20 CBGD CCOC(=O)c1cnc(NNC(=O)CN(C)C)nc1C 272255619 VYCZHQTUZSXABY-UHFFFAOYSA-N 281.316 -0.034 50 20 CBGD C#CCNC(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C 272976206 AEKHXJODMUFDRI-QMMMGPOBSA-N 284.316 -0.137 50 20 CBGD COC(=O)[C@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 294371992 WCBWENFTOYIFKW-KZVJFYERSA-N 270.285 -0.490 50 20 CBGD COC(=O)N(C)NC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 496160969 XQSFRMAQLGMFNC-SECBINFHSA-N 297.315 -0.368 50 20 CBGD CN(CCN1CCCC1=O)C(=O)c1cccc(B(O)O)c1 584945303 PVMWEKSAUOSWPP-UHFFFAOYSA-N 290.128 -0.939 50 20 CBGD Cc1nc([C@H](C)NC(=O)c2cccc(B(O)O)c2)no1 584963895 DTPKSEVEUZUZJP-ZETCQYMHSA-N 275.073 -0.451 50 20 CBGD CC(C)[C@@H](O)C1(CNC(=O)c2cccc(B(O)O)c2)CC1 584970475 CUWNLKWQQQSDHV-CYBMUJFWSA-N 291.156 -0.107 50 20 CBGD CC(C)[C@H](C#N)NC(=O)c1cc(B(O)O)ccc1F 584974274 FZHMIWNJUBUYJW-NSHDSACASA-N 264.065 -0.217 50 20 CBGD C=CCN(C(=O)c1ccc(B(O)O)c(F)c1)[C@H]1CCOC1 584981611 YWDXPJAXDBWKKB-NSHDSACASA-N 293.103 -0.077 50 20 CBGD CN(C)[C@]1(CNCc2ccccc2B(O)O)CCSC1 585026511 NZHRKZDPUGIYSU-AWEZNQCLSA-N 294.229 -0.107 50 20 CBGD OB(O)c1ccc(CNC[C@@H](O)Cc2cccc(F)c2)o1 585042855 FBNATEUQGPMDRW-LBPRGKRZSA-N 293.103 -0.208 50 20 CBGD OB(O)c1cccc(CN2CCc3n[nH]cc3C2)c1 585050002 NWZWKDSTNUNMTJ-UHFFFAOYSA-N 257.102 -0.352 50 20 CBGD CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H](B(O)O)C1 585055828 FQRGONJVXLQVTF-NXEZZACHSA-N 289.166 -0.739 50 20 CBGD O=C(NCB(O)O)[C@@H]1CSCN1C(=O)c1ccccc1 585056336 SWEVVNQFRQKELK-JTQLQIEISA-N 294.141 -0.670 50 20 CBGD N#Cc1cc(Cl)ccc1S(=O)(=O)NCB(O)O 585056396 UQHIKBHDXWCIIA-UHFFFAOYSA-N 274.494 -0.498 50 20 CBGD Cn1ncc(N2CC[C@H](B(O)O)C2)c(Cl)c1=O 585073725 OHWABUOOPDAPHH-LURJTMIESA-N 257.486 -0.513 50 20 CBGD CC(=NNC(=O)CN(C)C)c1cc(C(N)=O)n(C)c1 727647870 LRMKAAXDPOTDQK-UHFFFAOYSA-N 265.317 -0.474 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(C(N)=O)cc1 732084243 UAKJTIFZOZKKSI-UHFFFAOYSA-N 287.279 -0.108 50 20 CBGD CN(C)C(=O)NNC(=O)CNC(=O)COc1ccccc1 746518966 AORVUIOZBXKQKJ-UHFFFAOYSA-N 294.311 -0.516 50 20 CBGD C[C@@H]1COCCCN1CC(=O)NNC(=O)C1CC1 749509928 HWTFNIYPDJZBKC-SECBINFHSA-N 255.318 -0.345 50 20 CBGD COC(=O)c1cc(C=NNC(=O)CN(C)C)c[nH]1 753166204 ZOGLBFPVFUWRAO-UHFFFAOYSA-N 252.274 -0.187 50 20 CBGD Cn1cc(-c2ccc(F)c(C(=O)NNC(=O)CO)c2)cn1 753438649 PHLLYTLHUHKFGT-UHFFFAOYSA-N 292.270 -0.021 50 20 CBGD Cc1c([N+](=O)[O-])cc(C(=O)NNC(=O)CO)cc1[N+](=O)[O-] 753438889 SRXBHKCUPPFFQE-UHFFFAOYSA-N 298.211 -0.435 50 20 CBGD O=C(NNc1ncccn1)N[C@H]1CCCS(=O)(=O)C1 758647436 ABWWNJFXEIOUGT-QMMMGPOBSA-N 285.329 -0.320 50 20 CBGD COc1cc2c(cc1C=NNC(=O)C(N)=O)OCO2 758868911 LXXOXKZSAKEECY-UHFFFAOYSA-N 265.225 -0.641 50 20 CBGD CCNC(=O)NNC(=O)CS(=O)(=O)C(C)(C)C 767328753 XEPZNVDGZVKWCO-UHFFFAOYSA-N 265.335 -0.450 50 20 CBGD C#C[C@@H](NC(=O)NNC(=O)COCC)[C@@H]1CCCO1 776227282 IWCLJLZGFFLSIX-ZJUUUORDSA-N 269.301 -0.466 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1c[nH]nc1C 782478334 NBLYYECLFMVWDM-UHFFFAOYSA-N 261.307 -0.427 50 20 CBGD CCNC(=O)N(C)NC(=O)C1(S(C)(=O)=O)CC1 792303608 QJYLUQOCQPUVNG-UHFFFAOYSA-N 263.319 -0.744 50 20 CBGD C=CCNC(=S)NNC(=O)c1c(C)c(C)nn(C)c1=O 798305780 GHCSJCDESMTQCB-UHFFFAOYSA-N 295.368 -0.308 50 20 CBGD COCCN(C)NC(=O)CS(=O)(=O)CC(C)C 808074470 XISVQTLPNVMSGR-UHFFFAOYSA-N 266.363 -0.333 50 20 CBGD Cn1nncc1NNC(=O)CNC(=O)c1ccc(F)cc1 816769084 SXFLKYXSAQWGIG-UHFFFAOYSA-N 292.274 -0.173 50 20 CBGD CC[C@H](CS(=O)(=O)NNC(=O)[C@H]1CCCCO1)OC 817353931 XTSASENBFMUFNL-NXEZZACHSA-N 294.373 -0.069 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCc2nccn2C1 823918478 XMKUPDVCHZXFKM-UWVGGRQHSA-N 252.318 -0.211 50 20 CBGD COCCOCC(=O)NNC(=O)C1(Br)CC1 825138117 ZQZCYSXXSXLSJR-UHFFFAOYSA-N 295.133 -0.276 50 20 CBGD NC(=O)C1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1 826388580 DTKZNZJRMSXRII-UHFFFAOYSA-N 287.283 -0.425 50 20 CBGD CC(C)N1CCC[C@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 827015374 IHSKHDAZQXUQNK-ZJUUUORDSA-N 282.344 -0.715 50 20 CBGD CC(C)N1CCC[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 828344903 UOPUQULXVRYXJR-LLVKDONJSA-N 296.371 -0.371 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)CCNC(C)=O 830148380 TWXOFMZYBMLVTF-QMMMGPOBSA-N 258.322 -1.000 50 20 CBGD C[C@H](C(=O)O)n1cccc1C=NNC(=O)[C@H]1COCCO1 833408400 UNRPYVKGCTUJMG-MWLCHTKSSA-N 295.295 -0.001 50 20 CBGD CN(C)CC(=O)NNC(=O)COCC1CCCC1 839637273 DCUPNKKPLUZSTJ-UHFFFAOYSA-N 257.334 -0.098 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ncccn1 843651953 QGRJRBIXSXGMBY-JGVFFNPUSA-N 250.258 -0.337 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCn1cccn1 843976248 WQSVXNQPDGQYIJ-ZJUUUORDSA-N 266.301 -0.154 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(C(N)=O)n1 843980610 VLXKZYLFTVHPKL-JGVFFNPUSA-N 292.295 -0.634 50 20 CBGD O=C(NNC(=O)[C@@H]1CCNC1=O)c1ccccc1F 854180648 OGYJOVGEONUBIO-MRVPVSSYSA-N 265.244 -0.277 50 20 CBGD COc1nccnc1NNC(=O)Cn1cc([C@@H](C)O)nn1 857539785 DOMZOPBGCZUNEU-SSDOTTSWSA-N 293.287 -0.727 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cc(O)ncn2)n1 858148537 ARAVKQLBXYTNRN-UHFFFAOYSA-N 290.283 -0.543 50 20 CBGD CCOC(=O)C[C@@H](C)CNC(=O)NNC(=O)c1cn[nH]c1 858329869 GQTMCKPXSKPZMH-MRVPVSSYSA-N 297.315 -0.057 50 20 CBGD CCc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 862462432 WWOSEPLHMCMYBW-SNVBAGLBSA-N 276.296 -0.316 50 20 CBGD O=C1CC[C@H](C(=O)NN=C2CNC(=O)c3ccccc32)N1 863151075 GYHNMZFFFPKRNM-SNVBAGLBSA-N 286.291 -0.471 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)C1CCOCC1)N(C)C 883679556 MTKRDZOQPBBYHJ-VIFPVBQESA-N 272.349 -0.307 50 20 CBGD N#Cc1ccc(NNC(=O)[C@H]2CN3CCCN2CC3)nc1 899661635 DZVVLLOCSLNMIM-GFCCVEGCSA-N 286.339 -0.214 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)Cn1cncn1 899992242 SUGQONOTQAFPSP-UHFFFAOYSA-N 256.335 -0.428 50 20 CBGD CN(C)CCCNC(=S)NNC(=O)C1CCOCC1 905568778 NNBMPYRWFUWLAI-UHFFFAOYSA-N 288.417 -0.140 50 20 CBGD C[C@@H](O)CN(C)NC(=O)Cn1cc(Br)cn1 910169851 HCJJFLSINPKAAD-SSDOTTSWSA-N 291.149 -0.011 50 20 CBGD COCCCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 915827528 ATEGIWKEQNIWOX-SNVBAGLBSA-N 278.374 -0.095 50 20 CBGD CC(C)CN1C(=O)C(=NNC(=O)C(N)=O)c2ccccc21 916272512 ZFNAITHCEXFVTL-UHFFFAOYSA-N 288.307 -0.005 50 20 CBGD COC(=O)N(C)NC(=O)NCCO[C@H]1CCOC1 927527653 SKPVRNJXHKKJLE-QMMMGPOBSA-N 261.278 -0.296 50 20 CBGD CNC(=S)N(C)NC(=O)C(=O)c1cccn1C 1118769287 BUEPQHCSMWFWOH-UHFFFAOYSA-N 254.315 -0.325 50 20 CBGD Cn1nc(C(=O)NNC(=O)NCC(F)(F)F)cc1O 1261739794 HHTMWBGIWKLRQC-UHFFFAOYSA-N 281.194 -0.368 50 20 CBGD C=CC[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)OCC 1261841528 UMCKTWRXVBNYLY-LBPRGKRZSA-N 291.112 -0.396 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccn(C)n1 1318666509 TZCHDPWOUVZNSO-UHFFFAOYSA-N 281.316 -0.514 50 20 CBGD C[C@@H](NC(=O)NNc1cccnn1)c1ncnn1C 1320664582 NNHKAOWLQZHPDX-SSDOTTSWSA-N 262.277 -0.008 50 20 CBGD CNC(=O)c1ccc(C(=O)NNC(=O)N(C)C)cn1 1322451730 HXASKXULHUVEHB-UHFFFAOYSA-N 265.273 -0.643 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1sccc1C#N 1326283425 NCUUQANZDYKZNU-UHFFFAOYSA-N 282.281 -0.648 50 20 CBGD CC(C)(O)CCNC(=O)NNC(=O)C1CCOCC1 1331289001 OYGCRTDTPWCMLI-UHFFFAOYSA-N 273.333 -0.096 50 20 CBGD C[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)c1ccco1 1331834207 PELAPCJEBIOUAL-SSDOTTSWSA-N 274.298 -0.425 50 20 CBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)CC1CC1 1347017264 UJNHNAABZVBEQH-MWLCHTKSSA-N 266.345 -0.678 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@]2(C)C[C@H](O)CN2)o1 1574148967 DPOBMPNYDPTXSD-UFBFGSQYSA-N 267.285 -0.538 50 20 CBGD Cc1ccc(C(=O)NNC(=O)NCC2[C@@H]3CNC[C@@H]23)o1 1579664004 URKUEQMVOPTMQM-RKDXNWHRSA-N 278.312 -0.003 50 20 CBGD O=C(NNc1nc[nH]n1)c1ccc(-c2nn[nH]n2)c(O)c1 1593167151 RRUFFKBXDGODAH-UHFFFAOYSA-N 287.243 -0.553 50 20 CBGD C[C@H](CC(=O)O)CC(=O)NNC(=O)[C@H]1COCCO1 1604105692 BRBWDJUFJMEWLE-JGVFFNPUSA-N 274.273 -0.950 50 20 CBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)Cc1cc[nH]n1 1609731870 GOZPCBMANPQCHQ-LURJTMIESA-N 254.246 -0.790 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)COc1ccc(F)cc1 8391200 RNDVKWHVRSQSHM-UHFFFAOYSA-N 297.286 -0.124 50 20 CBGD CC(=O)NNC(=O)CN1CCN(c2ccccn2)CC1 38443308 MFJHJQWAZWFZQU-UHFFFAOYSA-N 277.328 -0.629 50 20 CBGD COCCNC(=O)NNC(=O)c1cccc(OC)c1O 48921148 GUVVPWZXGDNVTD-UHFFFAOYSA-N 283.284 -0.009 50 20 CBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cccs1 272432811 JUGWQCJCVSFNMM-UHFFFAOYSA-N 293.326 -0.586 50 20 CBGD O=C(NNC(=O)C1CC1)c1cnc(O)c([N+](=O)[O-])c1 274895994 NLDRMBADJBOXDN-UHFFFAOYSA-N 266.213 -0.134 50 20 CBGD Cc1c(CC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cnn1C 294409313 YCUJHAGWASPXKR-KWQFWETISA-N 280.328 -0.014 50 20 CBGD COC(=O)CCCNC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 297745412 JYSLPKYFHOTFQI-IUCAKERBSA-N 287.316 -0.163 50 20 CBGD O=S(=O)(CCCCl)NCCn1cnnc1 381923990 PNXVNBQWPXFYBV-UHFFFAOYSA-N 252.727 -0.174 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1nc[nH]n1 497197604 SYUZERDKKCCSQE-UHFFFAOYSA-N 284.276 -0.910 50 20 CBGD C[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@H]1CCCO1 584930226 YDLCYXJWAVXLOK-PRHODGIISA-N 281.092 -0.197 50 20 CBGD CC(C)N1CC(NC(=O)c2cc(B(O)O)ccc2F)C1 584976616 KCSWMPLBZQDOBT-UHFFFAOYSA-N 280.108 -0.672 50 20 CBGD CN(C(=O)c1cc(B(O)O)ccc1F)C1CCC(O)CC1 584978246 WKGCOBWRSKDGQY-UHFFFAOYSA-N 295.119 -0.119 50 20 CBGD COCCC1(C)CN(C(=O)c2cccc(B(O)O)c2)C1 584991104 AIHFKVJBDCQDAN-UHFFFAOYSA-N 277.129 -0.135 50 20 CBGD CCN1CCC[C@@H]1CNCc1ccc(B(O)O)cc1 585016733 XQXBPWKWOMRCGY-CQSZACIVSA-N 262.162 -0.060 50 20 CBGD CCO[C@@H]1C[C@@H](NCc2ccc(B(O)O)o2)[C@]12CCCO2 585034939 NOQLPSFVWNWQLT-YRGRVCCFSA-N 295.144 -0.224 50 20 CBGD COc1nc(C)cc(CNCc2ccccc2B(O)O)n1 585048865 FLJBXPVZDDTPST-UHFFFAOYSA-N 287.128 -0.237 50 20 CBGD Cc1ccc(S(=O)(=O)NCB(O)O)cc1N(C)C 585056589 YWZVRNJNEMCKIL-UHFFFAOYSA-N 272.135 -0.649 50 20 CBGD CC[C@H](COC)NC(=O)NNC(=O)[C@H](C)OCCOC 748630354 GPDSNILSOXDTPE-VHSXEESVSA-N 291.348 -0.207 50 20 CBGD Cc1cc(C(=O)NNC(=O)CO)c2c(C)n[nH]c2n1 753451229 BQDJRHALYJVTNB-UHFFFAOYSA-N 263.257 -0.672 50 20 CBGD CCOc1ncccc1NC(=O)NNC(=O)CO 755868312 HQNSPALVKAMQHS-UHFFFAOYSA-N 254.246 -0.375 50 20 CBGD O=C(NNC(=O)C1CCC1)c1ccc2nnnn2c1 758223196 CPNQNKPQQKDPFI-UHFFFAOYSA-N 260.257 -0.315 50 20 CBGD COCCN1C[C@@H](C(=O)NNc2ncc(F)cn2)CC1=O 760922816 OOOSZSMVUGGVDW-QMMMGPOBSA-N 297.290 -0.446 50 20 CBGD O=C(NNC(=O)c1ccc2nnc(O)n2c1)c1ccncc1 762931346 JLYXDSIJKZHZBP-UHFFFAOYSA-N 298.262 -0.095 50 20 CBGD C=CCNC(=S)NNC(=O)c1cc2n(n1)CCCO2 762945015 LCJPURNWWRHAJC-UHFFFAOYSA-N 281.341 -0.040 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccnc(-n2cccn2)c1 768241758 SLZLNPVADIKXLS-UHFFFAOYSA-N 289.295 -0.201 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCCn1cccn1 768247941 PQNPSBMFRNOUOC-UHFFFAOYSA-N 254.290 -0.418 50 20 CBGD C[C@@H](NC(=O)NNC(=O)c1ccc[nH]1)[C@H]1CN(C)CCO1 770437304 HCJJSLDOMADANK-MWLCHTKSSA-N 295.343 -0.322 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@]1(C)CCOC1 772314758 IEVNBYRMIWVLQC-UFBFGSQYSA-N 272.301 -0.098 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc2c(c1)OCO2 775247989 NGQSXXCEBHGPNB-UHFFFAOYSA-N 258.255 -0.255 50 20 CBGD C#CCCN1CCN(CC(=O)NNC(=O)C2CC2)CC1 776594639 QTVPHVSQCIQBCM-UHFFFAOYSA-N 278.356 -0.815 50 20 CBGD Cn1[nH]cnc1=NC(=O)NNc1ncncc1Cl 782057784 FUJAKCSOOJZIMW-UHFFFAOYSA-N 268.668 -0.171 50 20 CBGD C[C@H](O)C(=O)NNc1nc2ccccc2c(=O)n1C 786980915 VDCMODXDAUAQBV-ZETCQYMHSA-N 262.269 -0.243 50 20 CBGD O=C1CCC[C@H](C(=O)NNC(=O)c2ccncc2)N1 799517585 WOCDUSSOCQSBEO-SECBINFHSA-N 262.269 -0.489 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ccn(C)c2)CC1 807383054 ZVDNBTARWLHCIC-UHFFFAOYSA-N 265.317 -0.373 50 20 CBGD CCS(=O)(=O)NCC(=O)NCC(Cl)Cl 808129949 ZKIWXPZKLMBHKW-UHFFFAOYSA-N 263.146 -0.154 50 20 CBGD CO[C@](C)(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)C1CC1 814834956 CGRANDJVPKEAOX-LDYMZIIASA-N 291.373 -0.159 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C1(CN(C)C)CC1 820216006 JOLDGWLBIIEOAU-UHFFFAOYSA-N 298.387 -0.220 50 20 CBGD CCN(CCO)NC(=O)c1ccc2c(c1)C(=O)NCCO2 823376296 BSTUPZMTBLJFPM-UHFFFAOYSA-N 293.323 -0.232 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NC1CN(C(=O)O)C1 823755318 YXJIYTZMTNISOS-UHFFFAOYSA-N 258.278 -0.275 50 20 CBGD CCC(=O)N1CC[C@H](C(=O)NN(CC)CCO)C1 823869995 UZOCYGAKYRPALH-JTQLQIEISA-N 257.334 -0.410 50 20 CBGD CC(C)(C)NCCC(=O)NNC(=O)c1cn[nH]c1 827020794 FLLFIJHVCJEZCR-UHFFFAOYSA-N 253.306 -0.051 50 20 CBGD CNCCNC(=O)NNC(=O)COc1ccccc1F 841934614 CNAJTPZROHNYKS-UHFFFAOYSA-N 284.291 -0.246 50 20 CBGD CCC1(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)COC1 843655036 TVGQIRBSGBQRGJ-IUCAKERBSA-N 256.302 -0.015 50 20 CBGD Cc1nnccc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843659661 IKIYBTCEVZLCNJ-WPRPVWTQSA-N 264.285 -0.029 50 20 CBGD NS(=O)(=O)CCCCCC(=O)NN=c1cc[nH]cc1 845926968 JNPRGOUDSMCDTP-UHFFFAOYSA-N 286.357 -0.205 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@@H](N)CCN(C)C)n1 846668475 ULEHBGONKMEJNO-JTQLQIEISA-N 266.349 -0.184 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCCS1(=O)=O 847687122 MOOPPTBOIMWGMF-ZETCQYMHSA-N 263.319 -0.744 50 20 CBGD O=C(NNC(=O)c1cnn2c1CCC2)c1cc[nH]n1 849366243 VAUPPKONZDTDJA-UHFFFAOYSA-N 260.257 -0.373 50 20 CBGD COC1(C(C)=NNC(=O)[C@@H](C)NS(C)(=O)=O)CCC1 853303086 PQSYDYDYOPEKML-MRVPVSSYSA-N 291.373 -0.015 50 20 CBGD COCCOCC(=O)NNC(=S)N[C@H](C)C1CC1 855100670 GVKVQLKMLLDQJB-MRVPVSSYSA-N 275.374 -0.057 50 20 CBGD COCC1(CC(=O)NNC(=O)c2cc[nH]n2)CC1 855355505 ZVGBJJLUUPDVAE-UHFFFAOYSA-N 252.274 -0.013 50 20 CBGD CC(C)CN1C[C@H](C(=O)NNC(=O)c2cc[nH]n2)CC1=O 855359269 LVOYHFLUAXQGBY-SECBINFHSA-N 293.327 -0.325 50 20 CBGD COCC(=O)NNC(=O)CCCNC(=O)C(C)(C)C 855829339 SVGCMYVOGQAIOQ-UHFFFAOYSA-N 273.333 -0.277 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@@H](C)[C@H](CO)C1 856797932 MIBMVKRQETZJIX-MNOVXSKESA-N 271.361 -0.260 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1CCN2CCCC[C@@H]12 858190769 NWTQWCJXOHBBEW-MNOVXSKESA-N 292.343 -0.020 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cn(C2CC2)nn1 862095449 LSIJJLKTIYZXJL-VXNVDRBHSA-N 279.300 -0.201 50 20 CBGD C[C@H](NNC(=O)C1(n2cnnn2)CC1)C(F)(F)F 862321944 GHXIHNLSVIWETM-YFKPBYRVSA-N 264.211 -0.266 50 20 CBGD Cc1nn(CC(=O)NN[C@@H](C)C(F)(F)F)c(=O)n1C 862322616 ODXHCWSNPMPMQH-YFKPBYRVSA-N 281.238 -0.538 50 20 CBGD CC[C@@H](C)NC(=S)NNC(=O)COCCOC 865244140 DOWUDYKKUXSVLL-MRVPVSSYSA-N 263.363 -0.057 50 20 CBGD CC1(F)CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 868801453 ZWZRQQGYVLJEFV-QMMMGPOBSA-N 286.307 -0.170 50 20 CBGD CN1CCCC[C@H]1C(=O)NNC(=O)c1cccnn1 882060904 YKUOYPKDLAFEGK-JTQLQIEISA-N 263.301 -0.278 50 20 CBGD COCC1(S(=O)(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1 882747237 NAYGIEKAVDUJIE-BDAKNGLRSA-N 292.357 -0.459 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)[C@@H]1CCC[C@H]1O 886480372 UCESDHMHUOBMBS-OPRDCNLKSA-N 257.334 -0.223 50 20 CBGD O=C(Cc1cnc[nH]1)NNC(=O)[C@H]1CCCCO1 908517404 KPEBKKAUSQPISW-SECBINFHSA-N 252.274 -0.331 50 20 CBGD Cn1cnc(/C=C/C(=O)NNC(=O)C(C)(C)O)c1 935562351 HGLSUGHRXVCOGQ-SNAWJCMRSA-N 252.274 -0.648 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCCC12CCOCC2 1256619208 AJFIPYLGTLCOPF-VIFPVBQESA-N 299.327 -0.161 50 20 CBGD CC(C)C(=O)NNC(=O)NCCO[C@H]1CCOC1 1263143748 NJKWCDYWTLFIDY-VIFPVBQESA-N 259.306 -0.222 50 20 CBGD CC(C)C(=O)NNC(=O)Cn1nc2n(c1=O)CCCCC2 1317825925 WXMJRJBQFLLQRS-UHFFFAOYSA-N 295.343 -0.425 50 20 CBGD Cn1nncc1/C=C(\C#N)S(=O)(=O)NC1CC1 1321073395 OACRHMMLUDIXJK-RUDMXATFSA-N 253.287 -0.239 50 20 CBGD NC(=O)CSCC(=O)NNc1nncc(N)c1Cl 1324008803 GBPKEHLVPYUWRL-UHFFFAOYSA-N 290.736 -0.626 50 20 CBGD O=C(NNc1ncccn1)C1(CO)CCOCC1 1329607832 PEYPOPUVILOQOM-UHFFFAOYSA-N 252.274 -0.291 50 20 CBGD COc1ccc(CC(=O)N2CC[C@H](B(O)O)C2)nc1 1329673431 XVEVAYBQDQJMSU-VIFPVBQESA-N 264.090 -0.292 50 20 CBGD O=C(CN1CCN(c2ncc[nH]2)CC1)NNC(=O)C1CC1 1332852487 HNMAAKLMISDTAA-UHFFFAOYSA-N 292.343 -0.911 50 20 CBGD CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ncc[nH]1 1335452009 JGHGHYKKGYRSJP-MRVPVSSYSA-N 270.314 -0.315 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)C(C)(C)O)nc21 1339025658 XMQOMTJWWIKHSF-UHFFFAOYSA-N 266.261 -0.717 50 20 CBGD Cc1cccc(C(=O)NNC(=O)N2CC[C@H]2CO)n1 1340107396 YEMHKPHODBRMIG-VIFPVBQESA-N 264.285 -0.189 50 20 CBGD O=C(c1cnn(CC2CC2)c1)N1CC[C@H](B(O)O)C1 1348490879 WHBDLUVEUUGDQA-NSHDSACASA-N 263.106 -0.018 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1n[nH]cc1C 1349767463 OPMJGKBZGVJRRR-UHFFFAOYSA-N 281.316 -0.216 50 20 CBGD CO[C@H]1CN[C@@](C)(C(=O)NNC(=O)Cc2ccccn2)C1 1573961879 VOVLZGSZERZOPN-BXUZGUMPSA-N 292.339 -0.462 50 20 CBGD NCCCC(=O)NNC(=O)c1cc2cccn2cn1 1580289213 FGKYAZLFPUDXDO-UHFFFAOYSA-N 261.285 -0.166 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@H](C(=O)O)[C@H](C)C1 1588799313 CQDSUCMMJQWULO-ZJUUUORDSA-N 285.344 -0.168 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CC[C@H](C(=O)O)C1 1589416784 QQCZLHHDPSNEOX-QEYWKRMJSA-N 299.327 -0.005 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(C(=O)O)CCC1 1589425054 UGGOOTCGAMRFTD-SSDOTTSWSA-N 286.284 -0.270 50 20 CBGD COC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)o1 1591275117 LBJLVTVDBMNMRQ-UHFFFAOYSA-N 252.190 -0.540 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C(=O)O)c1c(F)cncc1F 1593102057 OJNCGDOVHQGWTR-SCSAIBSYSA-N 288.210 -0.164 50 20 CBGD CN(CC(=O)NCC(=O)O)NC(=O)OCc1ccccc1 1593719525 VANGECPGNPDJBA-UHFFFAOYSA-N 295.295 -0.040 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccc(-c2nn[nH]n2)n1C 1603699564 NYJGOGFYTXAHSI-ZETCQYMHSA-N 279.304 -0.837 50 20 CBGD N#Cc1ncn(CC(=O)NNc2ccccc2C(=O)O)n1 1608225357 LXPMVSMWWBXOOH-UHFFFAOYSA-N 286.251 -0.009 50 20 CBGD N#Cc1ncn(CC(=O)NNC(=O)c2ccccc2)n1 14143377 CWHNAHGGURLFLX-UHFFFAOYSA-N 270.252 -0.389 50 20 CBGD CCc1nn(C)c(CC)c1S(=O)(=O)NNC(=O)NC 156723191 QBGBTEBAGYDOHR-UHFFFAOYSA-N 289.361 -0.333 50 20 CBGD CC[C@@H](C(=O)NNC(=O)CN(C)C)N1CCCC1=O 175945046 BVOIWEXMUZHUTH-VIFPVBQESA-N 270.333 -0.904 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cccc(F)n1 186099634 CFFFSDSLMVRVFY-UHFFFAOYSA-N 263.232 -0.053 50 20 CBGD CSCCNC(=S)NNC(=O)CN(C)C 275971122 JVQNZSKSCREOOH-UHFFFAOYSA-N 250.393 -0.594 50 20 CBGD C#CCCS(=O)(=O)NNC(=O)COc1ccccc1O 288435552 UBCYVGOHNGCGOS-UHFFFAOYSA-N 298.320 -0.255 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCCO2)ccn1 294488440 CBQVAKPGBBWZIZ-JTQLQIEISA-N 293.279 -0.192 50 20 CBGD O=C(CCl)NCCN1CCS(=O)(=O)CC1 308514733 SSVPYSFVHKXINN-UHFFFAOYSA-N 254.739 -0.928 50 20 CBGD COC(=O)NNC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 490636745 VTIDIKFEKIIFQD-DTORHVGOSA-N 297.311 -0.061 50 20 CBGD CN1CCN(CC(=O)NNC(=O)OC(C)(C)C)CC1=O 496774494 JREBNLXJNMAXEH-UHFFFAOYSA-N 286.332 -0.684 50 20 CBGD CC[C@H](C)[C@H](NC(=O)OC)C(=O)NN(C)C(N)=O 496927233 SEVPYJHXAJQEAR-BQBZGAKWSA-N 260.294 -0.201 50 20 CBGD CC(C)NC(=O)CCNC(=O)c1cccc(B(O)O)c1 584929653 CWLPXZCLDRQLPG-UHFFFAOYSA-N 278.117 -0.989 50 20 CBGD C[C@H]1C[C@H](NC(=O)c2ccc(B(O)O)cc2)CN1C1CC1 584957661 KLOJVYMMYLGRAY-GWCFXTLKSA-N 288.156 -0.279 50 20 CBGD CC1(C)[C@@H](NC(=O)c2cccc(B(O)O)c2)C[C@H]1O 584973003 BQFDJUDYYLDORJ-WDEREUQCSA-N 263.102 -0.744 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N(CCCO)C1CCC1 584979055 JOJGWBCLYNPUOA-UHFFFAOYSA-N 295.119 -0.117 50 20 CBGD O=C(NCCC1(O)CCOCC1)c1cccc(B(O)O)c1 584989132 XYWMALZSSALJBS-UHFFFAOYSA-N 293.128 -0.972 50 20 CBGD CO[C@H](C)[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 584990518 FAKYHGCCKYUQMD-RKDXNWHRSA-N 251.091 -0.480 50 20 CBGD O=C(N[C@@H]1CCCSC1)c1cccc(B(O)O)c1 584993080 VVFDOPMTMAAINE-LLVKDONJSA-N 265.143 -0.008 50 20 CBGD CS[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584994888 GBNZYHPFVMSCEM-LLVKDONJSA-N 265.143 -0.056 50 20 CBGD CCN1CC[C@@H](CNCc2ccc(B(O)O)cc2F)C1 585017076 KLCWGIYQLHQHGL-NSHDSACASA-N 280.152 -0.063 50 20 CBGD OB(O)c1ccccc1CNCCOC[C@H]1CCOC1 585020314 RZEGKUSJHIIYFA-LBPRGKRZSA-N 279.145 -0.491 50 20 CBGD Cc1cnn(CCNCc2ccc(B(O)O)cc2F)c1 585021837 OQQJHVYCDCSUHX-UHFFFAOYSA-N 277.108 -0.200 50 20 CBGD O=S1(=O)CCC[C@H]1CNCc1ccccc1B(O)O 585044177 AGOJPVZSAZXVAC-NSHDSACASA-N 283.158 -0.967 50 20 CBGD O=S(=O)(Cc1cc(Cl)ccc1F)NCB(O)O 585056181 QFPXYTZHMHZBEE-UHFFFAOYSA-N 281.501 -0.090 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc(Cl)c(F)c1 585056954 DSJPOFAHWAXXER-UHFFFAOYSA-N 267.474 -0.231 50 20 CBGD Cc1nc(N2CC[C@@H](B(O)O)C2)ncc1[N+](=O)[O-] 585079194 UPLLTTONBBUKSB-SSDOTTSWSA-N 252.039 -0.254 50 20 CBGD COCCOc1ccc(C=NNC(=O)C(N)=O)cc1 730463113 YGILUQGDXHNFDQ-UHFFFAOYSA-N 265.269 -0.353 50 20 CBGD O=C(NCc1ccco1)NNC(=O)[C@@H]1C[C@H]1C(=O)O 739447503 HYFCRJBCJZRWBL-HTQZYQBOSA-N 267.241 -0.169 50 20 CBGD O=C(O)CSCCNC(=O)NNC(=O)C1CCC1 739862909 JVBXZHOXPZBQND-UHFFFAOYSA-N 275.330 -0.065 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@H]1C1CC1)C(=O)NC1CC1 751309002 LSKSUEFNHUUSPA-IUCAKERBSA-N 251.286 -0.542 50 20 CBGD CN(C)[C@H]1CCCN(CC(=O)NNC(=O)C2CC2)CC1 759967614 RECHRCXURYFKFY-LBPRGKRZSA-N 282.388 -0.040 50 20 CBGD CCN1CCO[C@H](C(=O)NNc2ncc(F)cn2)C1 762095547 IGGMFQNRZXVUFC-VIFPVBQESA-N 269.280 -0.221 50 20 CBGD N#Cc1ccc(NC(=O)C(=O)NNC(=O)CO)c(Cl)c1 764421562 MSHCCSJFGLCYIY-UHFFFAOYSA-N 296.670 -0.710 50 20 CBGD Cc1cnn(CCC(=O)NNC(=O)C(C)(C)O)c1 768259031 CSNPWDVPHXSRJF-UHFFFAOYSA-N 254.290 -0.500 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(C(=O)O)c(F)c1 768497961 DJLTUINFNBWWBV-UHFFFAOYSA-N 291.260 -0.354 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCO[C@H]1C 772234213 HFMKYXVLSMTBRD-CIUDSAMLSA-N 272.301 -0.100 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)N2CCOCC2)CCO1 776343173 RFYOCBZGMLTCHD-NXEZZACHSA-N 271.317 -0.126 50 20 CBGD CCNC(=O)NNC(=O)c1cc(N2CCOCC2)ccn1 784361125 FXLNXZAKZMKJQW-UHFFFAOYSA-N 293.327 -0.118 50 20 CBGD C[C@H](OCC1CC1)C(=O)NNC(=O)N1CCN(C)CC1 788169989 VTIZGFKPMMRWCL-JTQLQIEISA-N 284.360 -0.210 50 20 CBGD CCNC(=O)N(C)NC(=O)Cc1cnn(C)c1C 816006845 OCJWTCPPFDDBBZ-UHFFFAOYSA-N 253.306 -0.036 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1CC(=O)N(C)C1 818387452 URNSFCQFAVKRPK-VIFPVBQESA-N 251.286 -0.584 50 20 CBGD COCCN(C)NC(=O)[C@H]1CCCCN(C)C1=O 822842883 CPBXLNCQWIZJTE-SNVBAGLBSA-N 257.334 -0.146 50 20 CBGD CCN(CCO)NC(=O)COc1c(C)nn(C)c1C 823864793 DFYKGPFLIWATIS-UHFFFAOYSA-N 270.333 -0.239 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCc1cn[nH]c1 826822727 DPTRFEGFSRPRFC-WPRPVWTQSA-N 281.316 -0.292 50 20 CBGD CCC(C)(C)OCC(=O)NNC(=O)C(=O)N1CCCC1 837379938 VLAOARVPLBLUJT-UHFFFAOYSA-N 285.344 -0.039 50 20 CBGD COC(=O)Cn1cc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)nn1 842548770 BVQICKMXTLHWCK-PSASIEDQSA-N 295.299 -0.674 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](CNC)C1 843349006 CJRDPPGUFVEAON-VHSXEESVSA-N 256.350 -0.526 50 20 CBGD CC(C)NC(=O)NNC(=O)Cn1nc2n(c1=O)CCCC2 845323596 NPNGTNPZFNKMOP-UHFFFAOYSA-N 296.331 -0.880 50 20 CBGD Cc1nn(CC(=O)NCCCSC#N)c(=O)n1C 854363702 JUIBIFDBBPYMOS-UHFFFAOYSA-N 269.330 -0.389 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@@H]1CCNC(=O)C1)C1CC1 855098369 GLAHYLXRHUFRFR-IONNQARKSA-N 284.385 -0.194 50 20 CBGD CCC(F)(F)C(=O)NNC(=O)COCCOC 869903259 OULKPPRUGURHSP-UHFFFAOYSA-N 254.233 -0.158 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCCC(=O)N1C 911502904 MZGYYDXDSNYIBA-AEJSXWLSSA-N 283.328 -0.430 50 20 CBGD CC(C)(C)NC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1319100298 XFMOXDYJTWCLKV-ZETCQYMHSA-N 277.346 -0.450 50 20 CBGD CCc1c(C(=O)NNc2ccc(C(N)=O)nn2)cnn1C 1319244420 PAOZGLDGRBZFDQ-UHFFFAOYSA-N 289.299 -0.372 50 20 CBGD O=C(Cc1ccoc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1320707971 FGTCOHZXSCOGBE-VIFPVBQESA-N 286.309 -0.596 50 20 CBGD Nc1cc(C(=O)NNC(=O)C(=O)NC2CC2)cc(Cl)n1 1322469030 QTHBIXZEBFZJBX-UHFFFAOYSA-N 297.702 -0.643 50 20 CBGD C[C@H](C[S@](C)=O)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1325977308 VVUASLKJEVMYLM-DHKWHJRGSA-N 291.373 -0.491 50 20 CBGD Cn1nc(C2CC2)nc1CC(=O)NNC(=O)C1CC1 1326679041 ZJPOGRLSWMJLCL-UHFFFAOYSA-N 263.301 -0.208 50 20 CBGD O=C(NNS(=O)(=O)C[C@H]1CCCO1)c1cc[nH]n1 1327887316 CRLAUBDXVRNDRQ-SSDOTTSWSA-N 274.302 -0.847 50 20 CBGD Cn1cnc(S(=O)(=O)N2CC[C@H](B(O)O)C2)c1Cl 1330262274 NHEKWNKYRVMNBC-LURJTMIESA-N 293.541 -0.689 50 20 CBGD CC(C)C(=O)NNC(=O)NC[C@@H](C)S(C)(=O)=O 1330544116 CIUJKPVSBQGSHT-SSDOTTSWSA-N 265.335 -0.594 50 20 CBGD C[C@@H](NNC(=O)c1nc(O)nc(O)c1N)C(F)(F)F 1331792268 TYJYAXKUBICFNR-UWTATZPHSA-N 281.194 -0.345 50 20 CBGD Cc1sc(=O)n(CC(=O)NN(C)C(N)=O)c1C 1341910878 WVNDKJFBFFLJLL-UHFFFAOYSA-N 258.303 -0.432 50 20 CBGD COC(=O)N(C)NC(=O)C(=O)Nc1cc(C)on1 1345593838 AIUMFQKSZLTSEA-UHFFFAOYSA-N 256.218 -0.349 50 20 CBGD Cn1ccnc1CCC(=O)NNC(=O)N1CCOCC1 1351090202 HKQODAILDKFZET-UHFFFAOYSA-N 281.316 -0.574 50 20 CBGD C[C@H](NC(=S)NNC(=O)c1cc(=O)n(C)cn1)C1CC1 1352232096 ZKZCOYPPWIWAKQ-ZETCQYMHSA-N 295.368 -0.312 50 20 CBGD Cc1nnc(O)c(C(=O)NN(C)C[C@H](C)O)c1C 1354058871 PJLSJSYFLWCHTD-LURJTMIESA-N 254.290 -0.244 50 20 CBGD C[C@@H](OCc1cnn[nH]1)C(=O)NNC(=O)CC1CC1 1575878301 KPOFECJBDVABAO-SSDOTTSWSA-N 267.289 -0.343 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)NC[C@@H]2CCN2)n1 1579584725 OAGRZVQZLPHGJI-JTQLQIEISA-N 280.332 -0.808 50 20 CBGD O=C1CC(C(=O)NNc2cccc(C(=O)O)c2)=NN1 1602632798 YGQSYGJEWTXTTQ-UHFFFAOYSA-N 262.225 -0.296 50 20 CBGD CC(C)(C)CN(CC(=O)O)C(=O)c1cccc(B(O)O)c1 1602867687 PWXFJHWNVSQOKI-UHFFFAOYSA-N 293.128 -0.061 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)c1cccnn1)C(=O)O 1603184090 URSCMKWHWXIJJH-LURJTMIESA-N 267.245 -0.859 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1C[C@@H](C(=O)O)C1 1604833158 AZBMNZHOYHFQDG-MAUMQABQSA-N 270.285 -0.330 50 20 CBGD Cn1nc(C(=O)O)cc1C(=O)NNC(=O)NCC1CC1 1608144778 VEFRPERLEIIVQO-UHFFFAOYSA-N 281.272 -0.528 50 20 CBGD O=C(O)CCS(=O)(=O)NNC(=O)Cc1cccnc1 1608733018 XIRHRNYWTVCVJJ-UHFFFAOYSA-N 287.297 -0.951 50 20 CBGD COC(=O)[C@@H](NNC(=O)C(=O)O)c1ccccc1 1610157609 PACAZKLDIAHKPG-QMMMGPOBSA-N 252.226 -0.394 50 20 CBGD CN(C)c1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1 9889640 ZCYCLUMHFHIWSQ-UHFFFAOYSA-N 290.323 -0.208 50 20 CBGD CN1N=C(C(=O)NNC(=O)c2cccnc2)CCC1=O 48389525 XMVIIRBWLLOCTG-UHFFFAOYSA-N 275.268 -0.549 50 20 CBGD COC(=O)NNS(=O)(=O)c1cccc(-n2cnnn2)c1 49419561 PFIYWERUSRATRA-UHFFFAOYSA-N 298.284 -0.788 50 20 CBGD O=C(CN(CCO)C1CC1)NNC(=O)c1ccccc1 50104095 MAFYNUDBLNYTGH-UHFFFAOYSA-N 277.324 -0.096 50 20 CBGD CC(=O)NCCNC(=O)NNc1ccc(Cl)nn1 126320926 JJGCBHPLOXMBMZ-UHFFFAOYSA-N 272.696 -0.108 50 20 CBGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)NC1CC1 143230012 YOAOCYHSTBNPSH-UHFFFAOYSA-N 277.346 -0.450 50 20 CBGD COC[C@H](CO)NS(=O)(=O)CBr 234803840 NGZRERNJSQKOOS-YFKPBYRVSA-N 262.125 -0.735 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)c1cccnc1 270465505 GGSUCNQNBPUEBC-ZETCQYMHSA-N 266.257 -0.413 50 20 CBGD CC(C)n1ccc(C(=O)NNC(=O)C(C)(C)O)n1 278027452 UGZJXWDBBUJLGX-UHFFFAOYSA-N 254.290 -0.004 50 20 CBGD CC[S@@](=O)CC(=O)NNC(=O)c1ccccn1 278777195 XMMQKZXDZMBCBV-QGZVFWFLSA-N 255.299 -0.389 50 20 CBGD COCCN1CC[C@H](NC(=O)NNc2ncncc2F)C1 292824519 XGZPLCKSMJSWPQ-VIFPVBQESA-N 298.322 -0.038 50 20 CBGD CCOC(=O)C(C)(C)C(=O)NNC(=O)[C@@H]1CCCO1 294626285 LBOPEGSIIMEMDG-QMMMGPOBSA-N 272.301 -0.098 50 20 CBGD CN1C[C@H](NS(=O)(=O)CBr)CC1=O 307418465 XJEFWNPIZFOLHE-RXMQYKEDSA-N 271.136 -0.511 50 20 CBGD O=C(NCCOC[C@@H]1CCOC1)c1ccc(B(O)O)cc1 584941520 JREQKVTTYCYQFB-LLVKDONJSA-N 293.128 -0.851 50 20 CBGD Cc1nnc([C@@H](C)NC(=O)c2ccc(B(O)O)c(F)c2)o1 584958754 SIMJJQPRPGFRFJ-ZCFIWIBFSA-N 293.063 -0.312 50 20 CBGD C[C@H](CC(C)(C)O)NC(=O)c1cccc(B(O)O)c1 584996001 URZSOKRTBLNQPG-SECBINFHSA-N 265.118 -0.354 50 20 CBGD C[C@@H]1C[C@H](CO)CN(C(=O)c2ccc(B(O)O)cc2)C1 584998874 BPVFTIVUBQSAQE-MNOVXSKESA-N 277.129 -0.543 50 20 CBGD C[C@@H]1C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC[C@H]1O 585006242 JUDZOCVCTLXTRQ-OASPWFOLSA-N 277.129 -0.354 50 20 CBGD C[C@H](Cn1cncn1)NCc1ccc(B(O)O)cc1F 585019540 NVJMBRIZKGEXEQ-SECBINFHSA-N 278.096 -0.725 50 20 CBGD CC(=O)N1CCC(CNCc2ccccc2B(O)O)CC1 585021009 DOIRUBQFWOGFBS-UHFFFAOYSA-N 290.172 -0.286 50 20 CBGD CN1CC=C(CNCc2ccc(B(O)O)o2)CC1 585033631 GDOROSFTBPFAMJ-UHFFFAOYSA-N 250.107 -0.689 50 20 CBGD C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCB(O)O 585061788 GZOJDBMYLGENKE-LURJTMIESA-N 259.017 -0.140 50 20 CBGD CC(C)S(=O)(=O)c1ccc(C(=O)NCB(O)O)cc1 585061802 HHILTPFEJYDUCK-UHFFFAOYSA-N 285.130 -0.390 50 20 CBGD Cn1cc(/C=C/C(=O)NNC(=O)c2cnn(C)c2)cn1 735445212 OCNKLJPNHZEWRU-ONEGZZNKSA-N 274.284 -0.372 50 20 CBGD CCC(=O)NN[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 736309134 KPKYERSTSXRXEI-SNVBAGLBSA-N 289.299 -0.576 50 20 CBGD COCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)C(C)C 741464291 OBRYFZFNPJZFFF-QMMMGPOBSA-N 279.362 -0.301 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)nc1 752993296 XFDGCZLDKWMQHH-SECBINFHSA-N 297.336 -0.414 50 20 CBGD CCn1nccc1C=NNC(=O)[C@@H](C)NS(C)(=O)=O 753701308 UIGSPUZIDMJKJQ-MRVPVSSYSA-N 287.345 -0.709 50 20 CBGD O=C(COC[C@H]1CCCO1)NNC(=O)Cc1cc[nH]n1 755285774 SQOZNJNPEUVGPC-SNVBAGLBSA-N 282.300 -0.705 50 20 CBGD CC(=O)Nc1cccc(NC(=O)NNC(=O)CO)c1 755494182 IDCYEKWNWKKTFM-UHFFFAOYSA-N 266.257 -0.210 50 20 CBGD COC(=O)[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@H]1C 756006676 LNNGPVMFXVNOEH-NXEZZACHSA-N 299.371 -0.079 50 20 CBGD CCOCC(=O)NNC(=O)Nc1cnc(C)nc1 756370986 WXQRKDKMTBTHME-UHFFFAOYSA-N 253.262 -0.026 50 20 CBGD NC(=O)c1ccc(NNC(=O)COCC2CC2)nn1 757392276 LJIAILBGRFULGN-UHFFFAOYSA-N 265.273 -0.555 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN(CC(N)=O)C(C)(C)C 761905795 KKBONSWRSKSKMF-UHFFFAOYSA-N 286.376 -0.234 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCCN2C(N)=O)n[nH]1 763119270 LRUJSKGHKVSQAW-QMMMGPOBSA-N 280.288 -0.978 50 20 CBGD CC1CCN(C(=O)C(=O)NNC(=O)Cc2cc[nH]n2)CC1 767885402 OVBSNMMVMONVME-UHFFFAOYSA-N 293.327 -0.642 50 20 CBGD Cc1csc(=O)n1CCC(=O)NN(C)C(N)=O 770439714 WIAWLHGWFMRBFR-UHFFFAOYSA-N 258.303 -0.350 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)NC(=O)CC 771996541 XHPVKJMVHFOONS-YUMQZZPRSA-N 287.316 -0.610 50 20 CBGD COCc1ccc(NC(=O)NNC(=O)CO)cc1 772613952 XBCFOAZIHTYCSM-UHFFFAOYSA-N 253.258 -0.022 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)Cn2cncn2)n1 773860602 GRNNXNQGWUZVJG-UHFFFAOYSA-N 268.668 -0.553 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)[C@H]1CCCO1 783845451 GXOMHWVLBWEFFT-RKDXNWHRSA-N 277.346 -0.405 50 20 CBGD COCc1cc(C=NNC(=O)CN2CCCC2=O)no1 794879838 PAZFOMNXLVGSGX-UHFFFAOYSA-N 280.284 -0.107 50 20 CBGD CNC(=O)C1(C(=O)NNc2ncncc2F)CCC1 817078332 ZPOZSLMDRAQORX-UHFFFAOYSA-N 267.264 -0.025 50 20 CBGD CN1C(=O)CS/C1=C\C(=O)NNC(=O)CC1CC1 823203569 VFTYSYGAUMWBNT-WZUFQYTHSA-N 269.326 -0.020 50 20 CBGD COC(=O)N1CCC(C(=O)NN(C)[C@@H](C)CO)CC1 823913375 SSOUKKIMVVJDFG-VIFPVBQESA-N 273.333 -0.191 50 20 CBGD O=C(CN1CCOC1=O)NNC(=S)NCC1CCC1 824328168 QHKAUCDAIWUKMK-UHFFFAOYSA-N 286.357 -0.266 50 20 CBGD Cn1cc(-c2nn[nH]n2)cc1C(=O)NN=c1cc[nH]cc1 826358158 HTCIMDZZCYKKTQ-UHFFFAOYSA-N 284.283 -0.221 50 20 CBGD C[C@H](CSCC(=O)NNC(=O)C1CC1)C(=O)O 827575107 KUQLKNJXJCQMFN-ZCFIWIBFSA-N 260.315 -0.002 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2CCNC2=O)n1 829483295 XGZNITDBUITALP-SSDOTTSWSA-N 265.273 -0.627 50 20 CBGD CN(C)CCN(CCN(C)C)S(=O)(=O)CCl 830383337 JECGTRXUHNEQNS-UHFFFAOYSA-N 271.814 -0.062 50 20 CBGD COCCCNC(=O)NN=C(C)c1cn(CC(=O)O)nn1 831696989 SRMMDICUEAEKDM-UHFFFAOYSA-N 298.303 -0.578 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@H]1CC[C@H](C)O1 838745645 PVGZIGNUEDPMKS-DTWKUNHWSA-N 259.306 -0.079 50 20 CBGD CCOC(=O)[C@@H](CC)C(=O)NNC(=O)C(C)(C)O 840432530 HRMJJVLDFGXUTP-ZETCQYMHSA-N 260.290 -0.506 50 20 CBGD CCN[C@H](C)CNC(=O)NNC(=O)Cn1nc(C)cc1C 841988174 ZGOZXQGWASWLSD-SNVBAGLBSA-N 296.375 -0.172 50 20 CBGD CC[C@@H](C)C(=O)NNS(=O)(=O)c1c(N)noc1C 844650091 HMMVRONFTRQRTN-RXMQYKEDSA-N 276.318 -0.079 50 20 CBGD O=C(NNc1ncncc1F)[C@H]1CCc2nnnn2CC1 846216721 VJFUHLKQOZTFPA-ZETCQYMHSA-N 292.278 -0.302 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@H]2CC[C@@H]2C(N)=O)n1 848020044 HICSUOUPURCHQV-IUCAKERBSA-N 276.296 -0.337 50 20 CBGD O=S(=O)(CCl)N[C@@H](CO)[C@H]1CCCOC1 849399588 NRPHQVQZOKHXKE-YUMQZZPRSA-N 257.739 -0.110 50 20 CBGD CNC(=S)N(C)NC(=O)CCCN1C(=O)CCC1=O 854925257 BWIGLPILDAIMAI-UHFFFAOYSA-N 286.357 -0.617 50 20 CBGD COC(=O)N1CCC(C(=O)NNC(=O)CN(C)C)CC1 857110629 ZPZOLQXPMFZWLY-UHFFFAOYSA-N 286.332 -0.826 50 20 CBGD Cn1nncc1NNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]21 857269671 DROXKWGLQMLXOJ-AEJSXWLSSA-N 292.343 -0.047 50 20 CBGD CN(NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 858693888 BEVCMJKYEGKKNM-JTQLQIEISA-N 291.311 -0.353 50 20 CBGD Cc1cc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)nn1C 860807808 MUBDJYKHZNUUFD-SSDOTTSWSA-N 280.288 -0.840 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccnc(Cl)c2)N1 862450661 YLHKUUVBPTZIAD-SSDOTTSWSA-N 282.687 -0.225 50 20 CBGD O=C(CCCn1cccc1)NNC(=O)[C@@H]1CCC(=O)N1 862457433 JHIRGMJVUBQGKY-JTQLQIEISA-N 278.312 -0.306 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)N1 863203818 JECIJEPWRCEFEW-AXTSPUMRSA-N 296.396 -0.051 50 20 CBGD O=S(=O)(CBr)NC[C@H]1COCO1 867398271 VEAUDSPNMNRTEE-YFKPBYRVSA-N 260.109 -0.369 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CCCCN(C)C1=O 874248792 JKUCOJUBKSHCED-QMMMGPOBSA-N 256.306 -0.453 50 20 CBGD CN1CCCC[C@@H](C(=O)NNC(=O)C2CCOCC2)C1=O 883072115 ZRDGDWOFRDEZPJ-NSHDSACASA-N 297.355 -0.181 50 20 CBGD CO[C@@H]1CCOC[C@H]1NC(=O)NNc1cccnn1 898097728 FHBIXNHHVDOXCF-RKDXNWHRSA-N 267.289 -0.093 50 20 CBGD O=C(CCCn1cncn1)NNC(=O)[C@@H]1CCCCO1 908517605 NVCKLTGJCRLYSM-JTQLQIEISA-N 281.316 -0.225 50 20 CBGD CC[C@@H](C)OCC(=O)NNC(=O)CN1CCCC1=O 913731550 MQHVTOXZTKNXDX-SECBINFHSA-N 271.317 -0.429 50 20 CBGD O=C(/C=C\c1ccc[nH]1)NNC(=O)CN1CCCC1=O 913732524 ZRBGXKLBFGBXEQ-WAYWQWQTSA-N 276.296 -0.202 50 20 CBGD O=C(NCCCN1CCOCC1)NNC(=O)c1ccc[nH]1 915879623 HSBFQDVMPFLXSW-UHFFFAOYSA-N 295.343 -0.319 50 20 CBGD CC[S@@](C)(=O)=NC(=O)c1cccc(B(O)O)c1 925866068 RXPNVWFCZGDJOE-QGZVFWFLSA-N 255.104 -0.376 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1C#N 1116618569 CMYMQPCGZLPGEV-UHFFFAOYSA-N 264.216 -0.197 50 20 CBGD O=C(CC1OCCO1)NNC(=O)c1n[nH]c2c1CCCC2 1116863122 PXVLCSKEUNXDQX-UHFFFAOYSA-N 294.311 -0.188 50 20 CBGD CC[C@](C)(C#N)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1117100735 NKUIPKMGDOCDNS-GZMMTYOYSA-N 287.341 -0.492 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cn(C3CC3)nn2)cn1 1118892151 JHUJDYGSMMVZIV-UHFFFAOYSA-N 275.272 -0.579 50 20 CBGD CCc1nnc(C)cc1C(=O)NNC(=O)C(=O)NC1CC1 1254785777 WLUDXHOQKFXCNF-UHFFFAOYSA-N 291.311 -0.613 50 20 CBGD C[C@H](NC(=O)NNC(=O)C(C)(C)C)[C@H]1CN(C)CCN1C 1263778785 RMBGJZCLZMDCRR-WDEREUQCSA-N 299.419 -0.003 50 20 CBGD N#CCSCC(=O)NNC(=O)C(=O)N1CCCC1 1318119652 KYNUZQUATSSOJT-UHFFFAOYSA-N 270.314 -0.987 50 20 CBGD O=C(Cc1cc(O)nc(O)n1)NN=C[C@H]1CCOC1 1318835220 FATZISHHCMRYPQ-SSDOTTSWSA-N 266.257 -0.431 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](C)COc1ccccc1 1319299918 NLSLOZXIIGNAGV-SECBINFHSA-N 295.295 -0.043 50 20 CBGD COc1nccnc1NNC(=O)c1c([N+](=O)[O-])cnn1C 1320237723 SPLSOFQWZGPXSD-UHFFFAOYSA-N 293.243 -0.116 50 20 CBGD Cn1cnc(C(=O)NNC(=O)NCC(F)(F)F)c1 1321624863 NBXCBFBVNCHVCE-UHFFFAOYSA-N 265.195 -0.074 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CCc2nncn2C1 1326212215 ZGDGFTLQARCDAY-SSDOTTSWSA-N 252.278 -0.809 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ncnn1C 1332094130 PUGRJRXKABXZMO-CIUDSAMLSA-N 296.331 -0.369 50 20 CBGD O=C(NNC(=O)c1ccc2nnnn2c1)NC1CC1 1332310755 GVKGGVIUSXDECH-UHFFFAOYSA-N 261.245 -0.769 50 20 CBGD O=C(CN1CCC(CO)CC1)NNC(=O)c1ccc[nH]1 1335540424 OYPGAMOEWJJABF-UHFFFAOYSA-N 280.328 -0.520 50 20 CBGD NC(=O)c1ccc(NNC(=O)CC[C@@H]2CCOC2)nn1 1340248001 BTEVYEJHOOFMCG-MRVPVSSYSA-N 279.300 -0.165 50 20 CBGD CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1cn(C)nn1 1549314763 LQWVOEDMSYKFQV-JQWIXIFHSA-N 292.343 -0.482 50 20 CBGD COCC[C@H](N)C(=O)NNC(=O)NCc1ccco1 1573978830 ZCHNBBQDYSCAOZ-VIFPVBQESA-N 270.289 -0.526 50 20 CBGD Cn1ccc(NNC(=O)CCOCc2cnn[nH]2)n1 1577666430 YUBCLSUWRGPJEY-UHFFFAOYSA-N 265.277 -0.412 50 20 CBGD CNC(=O)NNC(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 1578556891 BPPXWPQIJVSXEE-SECBINFHSA-N 291.311 -0.528 50 20 CBGD COc1ccnc(NNC(=O)[C@@]2(C)C[C@H](N)CCO2)n1 1579316898 BEMAMDSJLIFNNH-PRHODGIISA-N 281.316 -0.175 50 20 CBGD NCCCn1ccc(C(=O)NN=c2cc[nH]cc2F)n1 1580304157 CTUFSIADSNFOSM-UHFFFAOYSA-N 278.291 -0.055 50 20 CBGD C=CCOC[C@H](NS(=O)(=O)CCl)C(=O)O 1588866792 QICCOEAAWIREJM-LURJTMIESA-N 257.695 -0.242 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccnc(C(=O)O)c1 1593456310 BUSVYNKXDYAQQQ-SSDOTTSWSA-N 253.258 -0.263 50 20 CBGD Cn1nncc1NNC(=O)[C@H]1CO[C@@H](CCC(=O)O)C1 1594598732 ZECIZFFYJPJOOI-SFYZADRCSA-N 283.288 -0.472 50 20 CBGD CON(C(=O)c1ccc(B(O)O)cc1)[C@H](C)CC(=O)O 1599312687 VBQABRYZQWLIEJ-MRVPVSSYSA-N 281.073 -0.767 50 20 CBGD N#Cc1ncn(CC(=O)NNc2ccc(C(=O)O)cn2)n1 1601134993 FQGACQFHWSOSLO-UHFFFAOYSA-N 287.239 -0.614 50 20 CBGD C#CC[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)O 1602685179 OHRCCWAFENGZSY-UAWPZABVSA-N 272.264 -0.080 50 20 CBGD Cn1ncc(C(=O)O)c1C=NNC(=O)[C@@H]1CCOC1 1776058323 WXSZLELHTDPYNX-SSDOTTSWSA-N 266.257 -0.395 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)CN1CSCC1=O 8302255 SSHKTFWFYOCGAX-UHFFFAOYSA-N 290.414 -0.187 50 20 CBGD COc1cccc(CC(=O)NNC(=O)C(=O)NC2CC2)c1 9889765 XJWSFMNVVLZSTC-UHFFFAOYSA-N 291.307 -0.336 50 20 CBGD CC(=O)NNC(=O)Cn1cc(Br)ccc1=O 46028736 ZZLQNQZWGMPZAS-UHFFFAOYSA-N 288.101 -0.222 50 20 CBGD Cc1cc(NNC(=O)[C@H]2CN(C)CCO2)ncn1 176162029 SNTAGNLQVFOWOP-SECBINFHSA-N 251.290 -0.441 50 20 CBGD COc1cccc(C(=O)NNS(=O)(=O)N(C)C)c1O 266005123 FQYMDGCAWCMWCO-UHFFFAOYSA-N 289.313 -0.558 50 20 CBGD CCO[C@@H]1C[C@@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1 269321865 SMGVIJFBKQBPOI-POYBYMJQSA-N 292.299 -0.063 50 20 CBGD O=C1CC(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 270738354 FMUAEDKRJIHYOP-LBPRGKRZSA-N 290.275 -0.047 50 20 CBGD C=CCNC(=S)NNC(=O)CCNC(=O)OCC 281405999 YYDKIODKENJPOM-UHFFFAOYSA-N 274.346 -0.196 50 20 CBGD CC(=O)NNC(=O)CCNC(=O)OCC(F)(F)F 299326477 IQIHMTFBBSJYGP-UHFFFAOYSA-N 271.195 -0.168 50 20 CBGD C=CCCO[C@@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 299468917 GHAWFWPXUSXJBI-JTQLQIEISA-N 283.328 -0.263 50 20 CBGD CC(C)N(C)C(=O)COc1ccc(B(O)O)cc1 584909196 IBPRPCOJHSXDGO-UHFFFAOYSA-N 251.091 -0.388 50 20 CBGD COCc1noc(COc2ccc(B(O)O)cc2)n1 584910036 LOFYLTLVPCZRFQ-UHFFFAOYSA-N 264.046 -0.525 50 20 CBGD CCN(C[C@H](C)C#N)C(=O)c1cccc(B(O)O)c1 584930966 VLSVOOIKTGJTSX-SNVBAGLBSA-N 260.102 -0.012 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCCC[C@@H]1CCO 584931276 OEEOABORLFLEDM-LLVKDONJSA-N 295.119 -0.117 50 20 CBGD C[C@@H]1CSC[C@H]1NC(=O)c1ccc(B(O)O)cc1 584988752 SXQZFADLQVIKHT-LDYMZIIASA-N 265.143 -0.152 50 20 CBGD C[C@@H](O)[C@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F 585007809 OGWCPMKXNKKSKJ-PRHODGIISA-N 281.092 -0.509 50 20 CBGD C[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C[C@@H]1CO 585010956 VFPYMXOMODBCIR-VHSXEESVSA-N 295.119 -0.404 50 20 CBGD C[C@H]1C[C@@H](NCc2ccc(B(O)O)cc2F)CO1 585047658 FDNARSOAILYWNK-GZMMTYOYSA-N 253.082 -0.228 50 20 CBGD COc1ccc(S(=O)(=O)NCB(O)O)c(C)c1 585053697 BSZNANIBHCBXIW-UHFFFAOYSA-N 259.092 -0.706 50 20 CBGD CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@@H](B(O)O)C1 585055830 FQRGONJVXLQVTF-VHSXEESVSA-N 289.166 -0.739 50 20 CBGD COc1c(C)cc(C)cc1S(=O)(=O)NCB(O)O 585059639 VKCNMSXOEQKEGW-UHFFFAOYSA-N 273.119 -0.398 50 20 CBGD O=C(Cn1ccc([N+](=O)[O-])n1)NNC(=O)C1CCC1 732143181 VUCNKFZDDCEPPN-UHFFFAOYSA-N 267.245 -0.261 50 20 CBGD C[S@](=O)CCNC(=O)NNC(=O)C1CCCC1 745846418 XMQMVNZWEZMMEX-KRWDZBQOSA-N 261.347 -0.115 50 20 CBGD CN(C)c1nccc(NNC(=O)c2ccc(C(N)=O)o2)n1 747590384 HMEQXXKRFIBPCT-UHFFFAOYSA-N 290.283 -0.009 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)C)C[C@H](O)C1CC1 747658388 UYQVTBUVSDNVLB-JTQLQIEISA-N 271.361 -0.117 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)c1ccccc1O 753385758 DDITXIFSWZZRTA-VIFPVBQESA-N 277.280 -0.226 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)[C@@H]1CCCO1 783845449 GXOMHWVLBWEFFT-IUCAKERBSA-N 277.346 -0.405 50 20 CBGD NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CC(=O)NNC(=O)C1CC1 787331464 MKWMRUKHKICRHY-SCVCMEIPSA-N 294.355 -0.870 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc(CNC(N)=O)cc1 787946636 YHILEZMFFFHUCB-UHFFFAOYSA-N 294.311 -0.613 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H](C)c1nnnn1C1CC1 792475388 MYWPYNWEDAJSQD-YUMQZZPRSA-N 295.347 -0.396 50 20 CBGD C[C@H](Oc1ccc(C=NNC(=O)CO)cc1)C(=O)O 794923041 VUEJLNQYPDTBIP-QMMMGPOBSA-N 266.253 -0.019 50 20 CBGD Cc1nn(C)cc1S(=O)(=O)NNC(=O)c1cccn1C 808070924 FVVGEENHXDTKTQ-UHFFFAOYSA-N 297.340 -0.310 50 20 CBGD CCc1c(C(=O)NNC(=O)C(=O)NC2CC2)ccn1C 809969291 QMMLVVBHLYIXHH-UHFFFAOYSA-N 278.312 -0.373 50 20 CBGD CCOCC(=O)NN=Cc1cc(C(=O)OC)no1 814843480 WEUZIVHWPMPJFX-UHFFFAOYSA-N 255.230 -0.052 50 20 CBGD COC(=O)CNC(=O)NN=C1CCCc2nc(N)ncc21 814900838 KGWJWGQGQCGMJE-UHFFFAOYSA-N 292.299 -0.429 50 20 CBGD CCN(CCO)NC(=O)c1ccc(N2CCOCC2)nc1 823842132 PWHXNHNZXZYUFU-UHFFFAOYSA-N 294.355 -0.123 50 20 CBGD CCN(CCO)NC(=O)c1cc(C)nc(NC)n1 823879461 MZYIUCZEHWUVME-UHFFFAOYSA-N 253.306 -0.214 50 20 CBGD CC(=NNC(=O)NCC(=O)O)c1cnn(C)c1C 833385282 UYSIJWYJFAOMJV-UHFFFAOYSA-N 253.262 -0.164 50 20 CBGD CC(C)c1nccnc1NNC(=O)[C@@H]1CC(=O)NC(=O)N1 834581275 WNUARHIJVZSOAF-ZETCQYMHSA-N 292.299 -0.359 50 20 CBGD Cc1[nH]nc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1O 843980089 RFRYAJGOOSAOOX-BQBZGAKWSA-N 268.273 -0.390 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](COC)OC 850200383 AULNHPHIQFRTCL-SFYZADRCSA-N 276.289 -0.863 50 20 CBGD CC(C)(C)C(=O)NCC(=O)NNC(=O)c1cc[nH]n1 855362106 NJNYPSATXBTCCD-UHFFFAOYSA-N 267.289 -0.667 50 20 CBGD COc1cccc(NNC(=O)[C@@]2(O)CCOC2)n1 857483098 PUQYRJKLKHKEMV-LLVKDONJSA-N 253.258 -0.315 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1CCN(CC2CC2)C1 858234907 JVTHHRXUEBNFSS-LLVKDONJSA-N 292.343 -0.162 50 20 CBGD O=C(CSC(F)(F)F)NNC(=O)[C@@H]1CCC(=O)N1 862452550 YLBMXNDQPFHQBC-BYPYZUCNSA-N 285.247 -0.335 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2COc3ccccc32)N1 862455135 MSPGMOIEIFRXQM-ZJUUUORDSA-N 289.291 -0.411 50 20 CBGD C[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)OC(C)(C)C 863874683 WPUDLHUIBKZQRO-VIFPVBQESA-N 293.128 -0.174 50 20 CBGD Cc1ccnc(NNC(=O)CN2CC(=O)N(C)C2=O)c1 863895360 UAPJLHWGMBLYHA-UHFFFAOYSA-N 277.284 -0.273 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@H]2CCN(C)C2)n[nH]1 869012436 RBNKBFPHBLBDRV-SECBINFHSA-N 265.317 -0.640 50 20 CBGD COCCOCC(=O)NNC(=O)Cc1ccc(F)cn1 869905979 HGTBDVPBLLBFHK-UHFFFAOYSA-N 285.275 -0.426 50 20 CBGD CCCCNC(=O)NNC(=O)CN1CCOC1=O 874193003 DSWNZIAAHXCRKK-UHFFFAOYSA-N 258.278 -0.431 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F 874194357 IOQQQRTVSCNAJL-PHDIDXHHSA-N 296.249 -0.349 50 20 CBGD COCCNC(=O)C1CCN(S(=O)(=O)CCl)CC1 884908548 UFKKHKTYTCXUAJ-UHFFFAOYSA-N 298.792 -0.013 50 20 CBGD C=C[C@](C)(CCOC)C(=O)NNC(=O)CN1CCCC1=O 913732252 NUNWBLQKICJNPS-CQSZACIVSA-N 297.355 -0.015 50 20 CBGD Cc1cc[nH]c1C(=O)NNC(=O)CN1CCCC1=O 913732693 GOIBHAYBEXOHEI-UHFFFAOYSA-N 264.285 -0.293 50 20 CBGD Cc1nnc(NNC(=O)[C@@H]2CCc3c[nH]nc3C2)nc1O 1116145192 PSSLXVOUXBNYAO-SSDOTTSWSA-N 289.299 -0.143 50 20 CBGD O=C(C[C@H]1COC(=O)C1)NNC(=O)c1ccncc1 1116290409 HOHADOSBMBSCRT-MRVPVSSYSA-N 263.253 -0.204 50 20 CBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1nncc(N)c1Cl 1118023163 HCRIDLCCSIELSA-DZSWIPIPSA-N 286.679 -0.348 50 20 CBGD CN(CCC(F)(F)F)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1118810559 KBGSODPFQBFQKV-ZCFIWIBFSA-N 296.249 -0.110 50 20 CBGD NC(=O)NCc1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1 1261844737 ZCKMFTVKWCXCEE-NSHDSACASA-N 291.116 -0.456 50 20 CBGD O=C(O)COc1ccc(C=NNC(=O)CCO)cc1 1318993762 VQNBRYUDOTVFPA-UHFFFAOYSA-N 266.253 -0.018 50 20 CBGD Cn1ncc(C(=O)NNc2nncc(N)c2Cl)c1N 1320149230 IECRIGJZYTVUCS-UHFFFAOYSA-N 282.695 -0.215 50 20 CBGD CN(CC(=O)NNc1ncccn1)[C@H]1CCS(=O)(=O)C1 1320696260 KRLFGEVXUGFDEL-VIFPVBQESA-N 299.356 -0.961 50 20 CBGD COCCCNC(=O)NNC(=O)C1(C#N)CCOCC1 1321650113 HYCNJBAKZBBMAU-UHFFFAOYSA-N 284.316 -0.326 50 20 CBGD CC(=O)Nc1nc(C(=O)NNc2cnnn2C)cs1 1327874134 NFRBVGWIKCDCQD-UHFFFAOYSA-N 281.301 -0.013 50 20 CBGD CNC(=O)c1cccc(C(=O)NN(C)C[C@H](C)O)n1 1332629177 FSBZSBIONHYREV-QMMMGPOBSA-N 266.301 -0.601 50 20 CBGD C#CCCCC(=O)NNC(=O)C[C@@H]1CCC(=O)N1 1333527952 LHLSFOHVBXKDQU-VIFPVBQESA-N 251.286 -0.394 50 20 CBGD COc1ccc(NNC(=O)C(=O)NC2CC2)nc1 1338545818 BTONDMJJFIMDRY-UHFFFAOYSA-N 250.258 -0.188 50 20 CBGD CCc1ncsc1C(=O)NNC(=O)C(=O)NC1CC1 1340963445 XLSUUHSSAHQPMU-UHFFFAOYSA-N 282.325 -0.255 50 20 CBGD C[C@@H]1[C@@H](C(=O)NNC(=O)CN2CCCC2=O)C1(F)F 1352496853 XKFPZCNUGINXSY-MUWHJKNJSA-N 275.255 -0.343 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@]1(CN)CCCOC1 1574942553 BNEVGXNVBJVKIC-LLVKDONJSA-N 272.374 -0.577 50 20 CBGD Cn1cc(C(=O)NNC(=O)N[C@@H]2CCNCC2(C)C)nn1 1579953071 GZPFPELYLGRENB-SECBINFHSA-N 295.347 -0.853 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCCC[C@@H]1C(=O)O 1590939499 XETJYVXRDXAKTN-SECBINFHSA-N 271.317 -0.271 50 20 CBGD O=C(O)[C@@H]1CCC[C@@H]1NCc1cccc(B(O)O)c1 1595171907 UWIBNYOBCWORHQ-NEPJUHHUSA-N 263.102 -0.291 50 20 CBGD O=C(NNC(=O)c1ccc(C(=O)O)o1)c1cc[nH]n1 1601554995 MHLGYCDKWGYXBA-UHFFFAOYSA-N 264.197 -0.224 50 20 CBGD O=C(NNC(=O)[C@H]1CCCS1)[C@H]1C[C@H]1C(=O)O 1601556244 SXXSMXXIHRLKAR-RRKCRQDMSA-N 258.299 -0.250 50 20 CBGD O=C(O)[C@@H]1OCC[C@@H]1CNS(=O)(=O)CCl 1602201380 RBIDQRPEGSKNBZ-PHDIDXHHSA-N 257.695 -0.408 50 20 CBGD O=C(c1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H](B(O)O)C1 1607014655 UJAAHBKORPCGMP-SNVBAGLBSA-N 287.088 -0.444 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H](CCC)NC(N)=O 68006865 ZQZMXIOVJUYOSO-SSDOTTSWSA-N 273.362 -0.495 50 20 CBGD CCOCC(=O)NNC(=O)NCCn1cccn1 114972052 NRAXEZIKTQKRJJ-UHFFFAOYSA-N 255.278 -0.750 50 20 CBGD CN(CCS(C)(=O)=O)S(=O)(=O)CBr 127539834 VHXRCTAXZMNHKF-UHFFFAOYSA-N 294.192 -0.355 50 20 CBGD CN(C)CC(=O)NNC(=O)Cc1ccc2[nH]ncc2c1 280722010 MHTWPVAKADMPNG-UHFFFAOYSA-N 275.312 -0.186 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1CC[C@H]1C(=O)OC 285078847 LVLSOAGIJGFTOL-DTWKUNHWSA-N 287.316 -0.448 50 20 CBGD COC(=O)COCC(=O)NNC(=O)Cc1ccccc1F 287224645 AENDURHRJWPNJO-UHFFFAOYSA-N 298.270 -0.295 50 20 CBGD C[C@@H](NC(=O)NNC(=O)CN(C)C)C(F)(F)F 288809396 LHNIPZLYROHQGQ-RXMQYKEDSA-N 256.228 -0.171 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@@H](COC)C(=O)OC 490813619 QMVVQFFYAJNFEO-XZLDQRQTSA-N 256.258 -0.265 50 20 CBGD CCOC(=O)NNS(=O)(=O)c1cnn(CCOC)c1 493980827 FXWOSRSHKIEDNS-UHFFFAOYSA-N 292.317 -0.531 50 20 CBGD COC(=O)N(C)NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 496564665 AQYSMOWEXKFBIK-UHFFFAOYSA-N 292.251 -0.441 50 20 CBGD CC(C)[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)N(C)C 584928525 CWKWOESBVJJGHT-GFCCVEGCSA-N 292.144 -0.791 50 20 CBGD CCN1CC[C@H](CNCc2ccccc2B(O)O)C1 585016930 FELAWTYOVZENBA-GFCCVEGCSA-N 262.162 -0.202 50 20 CBGD C[S@](=O)C1(CNCc2ccccc2B(O)O)CC1 585041896 IAZYBHWMZBQBSH-SFHVURJKSA-N 267.159 -0.633 50 20 CBGD CC1(C)OCC[C@@H]1CNCc1ccc(B(O)O)o1 585049343 DFJBELOTQJLYBW-SECBINFHSA-N 253.107 -0.136 50 20 CBGD CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCB(O)O 585054034 GGFSFWJNSAVCIM-ZYHUDNBSSA-N 292.144 -0.041 50 20 CBGD COc1ccc(/C=C/C(=O)NCB(O)O)c(OC)c1 585057073 JXOIPKNPRRQSDB-GQCTYLIASA-N 265.074 -0.155 50 20 CBGD COCc1ccccc1S(=O)(=O)NCB(O)O 585059252 GRLDIKUECYKCCM-UHFFFAOYSA-N 259.092 -0.877 50 20 CBGD N#CC1(CS(=O)(=O)NCB(O)O)CCCCC1 585059482 PCSOLQGHJOMQCZ-UHFFFAOYSA-N 260.124 -0.608 50 20 CBGD COC(=O)CSCCNC(=O)NNC(=O)C(C)C 729856703 UVHIZVYUYBVZND-UHFFFAOYSA-N 277.346 -0.121 50 20 CBGD CC(C)[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CC1 733252545 VWTGOAQPJULFBD-MRVPVSSYSA-N 277.346 -0.882 50 20 CBGD CCN1CCN(CCC(=O)NNc2cnccn2)CC1 734244511 LJSKQSSBVXOGDU-UHFFFAOYSA-N 278.360 -0.053 50 20 CBGD CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)NC(C)C)C1 746840345 UDHGGWQNNRLAEP-GFCCVEGCSA-N 270.333 -0.016 50 20 CBGD C[C@H]1OCCC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1 747754368 XAYXRFDAIJVQHQ-SFYZADRCSA-N 275.330 -0.363 50 20 CBGD C[C@H]1OCC[C@]1(C)NCC(=O)NNC(=O)C1CC1 755170044 PZQCKUOUFSYNAQ-PELKAZGASA-N 255.318 -0.299 50 20 CBGD O=C(CNC(=O)c1ccco1)NN=Cc1cc[nH]n1 755680042 XFPUQOHWVNWGPR-UHFFFAOYSA-N 261.241 -0.117 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H](C)[C@H]1CCOC1 771813101 QULZUQUIRWOENS-UTLUCORTSA-N 257.334 -0.053 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc[nH]n1 771999937 JWDNCSFGBZQHJK-ZCFIWIBFSA-N 254.246 -0.488 50 20 CBGD CCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)CO)c1C 777782858 SIAGVWWSBYWBMZ-UHFFFAOYSA-N 283.284 -0.438 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNc1nc2ccccn2n1 791241275 AMSIRQJZIKQMRX-MRVPVSSYSA-N 274.284 -0.207 50 20 CBGD Cc1c(S(=O)(=O)NNC(=O)C2CCC2)cnn1C 793394420 MNTGOGOSRUHGPO-UHFFFAOYSA-N 272.330 -0.162 50 20 CBGD COc1ccc(NC(=O)NNC(=O)CNC(C)=O)cc1 802055166 FMXHCSABOJJUHG-UHFFFAOYSA-N 280.284 -0.016 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2CCC(=O)N2C)n1 806987076 YANWRGZVWFVUSS-MRVPVSSYSA-N 279.300 -0.142 50 20 CBGD COC[C@@H](C)[C@H](C)C(=O)NNC(=O)C(=O)NC(C)C 812532864 JJLXDNRYBAPMSS-BDAKNGLRSA-N 273.333 -0.423 50 20 CBGD CCOC(=O)N1CSC[C@@H]1C(=O)NN(C)C[C@H](C)O 822562968 FJIRENMWMVADSZ-DTWKUNHWSA-N 291.373 -0.138 50 20 CBGD CN(C)CC1(C(=O)NNC(=O)c2ncccn2)CC1 823683052 QKCLSOCJVOLRDE-UHFFFAOYSA-N 263.301 -0.421 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H](COC)OC 823810412 LCARFEUCFGPDQB-QMMMGPOBSA-N 263.294 -0.985 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CCCC12OCCO2 823884703 GJJKWUPJAYEUCS-JTQLQIEISA-N 258.318 -0.125 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1COCCN1CC(F)F 823934632 IRDGIZCXYNQRKE-BDAKNGLRSA-N 281.303 -0.704 50 20 CBGD C[C@H](CO)N(C)NC(=O)C1(C(=O)NC2CC2)CC1 823965224 KTPADLRYTOGQAN-MRVPVSSYSA-N 255.318 -0.611 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 823969968 AKJCZKDTOWRJAB-WDEREUQCSA-N 297.359 -0.754 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NOCC(F)F 826663242 AYIQLJCPPVECFT-RITPCOANSA-N 267.232 -0.062 50 20 CBGD CC1(CCC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 827016474 RXYBBPOSNTUPTE-MRVPVSSYSA-N 253.302 -0.007 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCCc2nn[nH]c21 831853800 GNQMBBVJRWZYIY-SSDOTTSWSA-N 266.305 -0.083 50 20 CBGD CC[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)C(=O)OC 843970402 FKCYTQHAGITZCR-DJLDLDEBSA-N 272.301 -0.242 50 20 CBGD C[C@@H]1CCCN(C(=O)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1 843973655 ZAENRLLFGWSQGH-GMTAPVOTSA-N 297.355 -0.183 50 20 CBGD CCNC(=O)CCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843976857 ZMGUCDSQAVCGMT-BDAKNGLRSA-N 271.317 -0.525 50 20 CBGD COCCN(C)NC(=O)c1cc2n(n1)CCCO2 848378455 RUYNDJCCVXFJLC-UHFFFAOYSA-N 254.290 -0.111 50 20 CBGD CCOCC(=O)NNC(=O)NCC1(N)CCCC1 851670910 BEQVWXWKPXWEQH-UHFFFAOYSA-N 258.322 -0.375 50 20 CBGD CCS(=O)(=O)N[C@H](C)C(=O)NN(C)C(=O)OC 854408909 CGYNNTJCXLZDDV-ZCFIWIBFSA-N 267.307 -0.956 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@@H](C)S(C)(=O)=O)C1CC1 855101777 CAKPJFACJGESKX-NKWVEPMBSA-N 293.414 -0.287 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)c1cc[nH]n1 855355460 YRYAVJLABRGAEF-RNJXMRFFSA-N 262.269 -0.214 50 20 CBGD CCCNC(=O)CCC(=O)NNC(=O)c1cc[nH]n1 855358584 OVMFQPZEMFSOKJ-UHFFFAOYSA-N 267.289 -0.523 50 20 CBGD O=C1N[C@H](C(=O)NNc2ncc(F)cn2)CCO1 860463718 YPGKFPQAGUANJU-LURJTMIESA-N 255.209 -0.443 50 20 CBGD C[C@@H](NNC(=O)C1(n2cnnn2)CC1)C(F)(F)F 862321939 GHXIHNLSVIWETM-RXMQYKEDSA-N 264.211 -0.266 50 20 CBGD CC(CCn1cccn1)=NNC(=O)CS(C)(=O)=O 863187116 YEJJUQRTZKIHMA-UHFFFAOYSA-N 272.330 -0.190 50 20 CBGD COC(=O)CCC(C)(C)NC(=O)c1cccc(B(O)O)c1 863872994 SKMBVITTZOYRDN-UHFFFAOYSA-N 293.128 -0.172 50 20 CBGD CN1CCCC[C@H](C(=O)NNc2nccn(C)c2=O)C1=O 879073738 SMSUHLYXZNKHIS-SECBINFHSA-N 293.327 -0.518 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H](C)N1CCN(C)CC1 887144271 HSDNNDMFOWNXMC-GFCCVEGCSA-N 280.372 -0.427 50 20 CBGD O=C(CNc1ccccc1)NNC(=O)[C@H]1CCCNC1=O 895534600 KCWQBYUJJHHDFD-NSHDSACASA-N 290.323 -0.228 50 20 CBGD NS(=O)(=O)CCCC(=O)NCC(Cl)Cl 908184886 YPZBWPJWCVJSEC-UHFFFAOYSA-N 263.146 -0.025 50 20 CBGD Cc1nnc2ccc(C(=O)NN(C)C[C@H](C)O)cn12 910156019 QGBVBLZJZLKGNA-QMMMGPOBSA-N 263.301 -0.005 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CCC(=O)NC1 915695110 KRRNTMWOAINFDL-MRVPVSSYSA-N 264.285 -0.688 50 20 CBGD O=C(CN1CCCC1)NNC(=O)C1CCOCC1 923062711 PSFFHUHXSOTTJU-UHFFFAOYSA-N 255.318 -0.344 50 20 CBGD Cc1cnc(C(=O)NNC(=O)C(=O)N2CCCC2)cn1 1115921726 QLWALYYRTOFOLQ-UHFFFAOYSA-N 277.284 -0.832 50 20 CBGD CN(C)c1cnc(C(=O)NNc2cnnn2C)cn1 1261772721 HANONVJACRCDHK-UHFFFAOYSA-N 262.277 -0.572 50 20 CBGD Cc1nn(C)c2nc(Cl)c(C=NNC(=O)C(N)=O)cc12 1317992975 KYWCEHHWXAJWRF-UHFFFAOYSA-N 294.702 -0.134 50 20 CBGD CCS(=O)(=O)CCNC(=O)NNC(=O)c1ccc[nH]1 1318220577 KEDMNHZLXQCNNJ-UHFFFAOYSA-N 288.329 -0.607 50 20 CBGD O=C(NN=CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1319730267 STBWNMZNFZQVHX-ZJUUUORDSA-N 274.342 -0.050 50 20 CBGD CN(NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(N)=O 1319992261 PXYOIDRNFBJEQN-UHFFFAOYSA-N 286.313 -0.287 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)CC(F)(F)F)cn1 1320975763 NHVYBSORAHDTPN-UHFFFAOYSA-N 290.201 -0.106 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@]1(F)CCOC1 1326708016 GZFYCMNUIQPNIN-GFCCVEGCSA-N 299.258 -0.715 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCS[C@H]1C 1326794287 ZFZVASQYYHMFGX-WDSKDSINSA-N 261.303 -0.616 50 20 CBGD C=C[C@@H](COC)NC(=O)c1cc(B(O)O)ccc1F 1329268696 YNXPXNARRJMEAS-VIFPVBQESA-N 267.065 -0.564 50 20 CBGD Cn1nnc(Br)c1C(=O)NNC(=O)C1CC1 1343483741 PVRCPHNJSLJJKX-UHFFFAOYSA-N 288.105 -0.251 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CCc2nnn(C)c2C1 1343688710 GVLUETRYOUNLFC-SSDOTTSWSA-N 266.305 -0.730 50 20 CBGD N#CC1=CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1466142786 WMMJUFBKGFMQIQ-UHFFFAOYSA-N 299.290 -0.107 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@H]1C[C@@H](F)CN1 1574302422 GGGYJMUCHCRIAL-NXEZZACHSA-N 266.276 -0.529 50 20 CBGD COc1ccccc1NCC(=O)NNC(=O)CON 1579309464 CTVOESJTPMUWNU-UHFFFAOYSA-N 268.273 -0.855 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1cnns1 1582562555 VMROHAUZQWSIKI-UHFFFAOYSA-N 289.284 -0.130 50 20 CBGD O=C(O)CCCC(=O)NNC(=O)N1CCOCC1 1601978926 MIMKBMOZBBCRCW-UHFFFAOYSA-N 259.262 -0.686 50 20 CBGD C[C@@H](CC(=O)O)CC(=O)NNc1nccn(C)c1=O 1604106760 QVJMFDAVFOELDF-SSDOTTSWSA-N 268.273 -0.276 50 20 CBGD Cc1noc(C)c1C[C@H](C)NC(=O)NNC(=O)C(=O)O 1608023709 WRJZWTPXXBZXFA-YFKPBYRVSA-N 284.272 -0.363 50 20 CBGD O=C(NCCc1ccc(F)cc1)NNC(=O)C(=O)O 1608452369 PWAGBRSAQUMBNU-UHFFFAOYSA-N 269.232 -0.217 50 20 CBGD NC[C@H](N)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2 1843349322 PZVSGWVWMRPONL-YUMQZZPRSA-N 292.742 -0.990 50 20 CBGD CCCCNC(=O)NNC(=O)Cn1cnc([N+](=O)[O-])n1 49143518 HXZQQUPOEROHCV-UHFFFAOYSA-N 285.264 -0.683 50 20 CBGD CCCCNC(=O)NNC(=O)c1ccc(C(N)=O)nc1 49427614 HAJXNLJCVOZVLS-UHFFFAOYSA-N 279.300 -0.075 50 20 CBGD CN(C)CC(=O)NNC(=O)CNC(=O)c1ccccc1 113425089 LNRAEYCDMIRQPO-UHFFFAOYSA-N 278.312 -0.875 50 20 CBGD Cc1c(/C=C/C(=O)NNC(=O)N2CCOCC2)cnn1C 179271840 WEMMPLDDTHKHEY-ONEGZZNKSA-N 293.327 -0.185 50 20 CBGD CC(C)=CCNC(=O)NNC(=O)C(=O)N1CCCC1 190628042 GNCAFRNOLXIANY-UHFFFAOYSA-N 268.317 -0.095 50 20 CBGD CC(=O)NCC(=O)NNC(=O)COc1ccccc1O 264513321 UBXJZGLFCFDCCL-UHFFFAOYSA-N 281.268 -0.946 50 20 CBGD COC[C@@H](C)CNC(=O)NNC(=O)C(=O)N1CCCC1 265578310 QDTJFKWHZZIUDB-VIFPVBQESA-N 286.332 -0.778 50 20 CBGD NNC(=O)CCCNC1=NS(=O)(=O)c2ccccc21 270198805 FKKYWYQRXDGCPK-UHFFFAOYSA-N 282.325 -0.505 50 20 CBGD Cn1nnc2c(C(=O)NNC(=O)C3CC3)ccnc21 283689715 UDULFJWXMCBJFV-UHFFFAOYSA-N 260.257 -0.466 50 20 CBGD COC1(C(=O)NNC(=O)c2cccn2C)CCOCC1 284640505 WVYAWFQPZUAMMQ-UHFFFAOYSA-N 281.312 -0.018 50 20 CBGD COc1nccnc1NNC(=O)C[C@@H]1CCCC(=O)N1 290574178 UAFYFKSIKAUTLU-QMMMGPOBSA-N 279.300 -0.013 50 20 CBGD Cn1nccc1COCC(=O)NNC(=O)CC1CC1 294010778 BIKLGUQAPYKITN-UHFFFAOYSA-N 266.301 -0.116 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCN1CCOC1=O 495767620 AWLVGPOBOGEUCH-UHFFFAOYSA-N 281.272 -0.679 50 20 CBGD CCCN1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584944214 QBMXKMMISLUQPA-UHFFFAOYSA-N 294.135 -0.327 50 20 CBGD CCC[C@@H](NC(=O)c1cccc(B(O)O)c1)c1nn[nH]n1 584961390 TZMNQAWLPUWLPC-SNVBAGLBSA-N 289.104 -0.849 50 20 CBGD C[C@]1(CO)CCCN1C(=O)c1ccc(B(O)O)cc1 584976395 QXTGVTCZOXETQR-CYBMUJFWSA-N 263.102 -0.647 50 20 CBGD CC1(C)COCCN1C(=O)c1ccc(B(O)O)cc1 584985359 KNUGQLCMKHMOAK-UHFFFAOYSA-N 263.102 -0.383 50 20 CBGD CC(C)C[C@H](CO)CNC(=O)c1cccc(B(O)O)c1 584985389 LEZXGOWBOGOPAO-NSHDSACASA-N 279.145 -0.249 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCOCC(F)(F)C1 584994147 YSTWNUDFALSNAB-UHFFFAOYSA-N 285.055 -0.526 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@@]1(C)CO 585007487 APNHLKMCNVRPDH-YGRLFVJLSA-N 277.129 -0.543 50 20 CBGD OB(O)c1ccccc1CNCCCCn1cnnc1 585026473 HJIYHCVJCKOMSA-UHFFFAOYSA-N 274.133 -0.472 50 20 CBGD OB(O)c1ccc(CNC[C@]2(O)CCSC2)c(F)c1 585027159 XXJQSCPHYGQZJM-GFCCVEGCSA-N 285.149 -0.537 50 20 CBGD Cc1cc(=O)c(C(=O)NCB(O)O)nn1-c1ccccc1 585053753 CGAAYOGDUJRDAM-UHFFFAOYSA-N 287.084 -0.717 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)c1ccc[nH]1 730273352 RLKGDJIUQSHXFS-NSHDSACASA-N 260.297 -0.127 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 732280654 NSCRGIKUYHSIID-JTQLQIEISA-N 272.264 -0.402 50 20 CBGD CN(C)CC(=O)NNC(=O)c1csc2cncn12 749189116 OQPMJIZKZBOJFW-UHFFFAOYSA-N 267.314 -0.282 50 20 CBGD COC(=O)C[C@@H]1CCCN1CC(=O)NNC(=O)C1CC1 749466476 ULDPMDNPYGJEOB-JTQLQIEISA-N 283.328 -0.429 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(CC)CCS(C)(=O)=O 753200948 CIKUDXVICJITIN-SECBINFHSA-N 293.389 -0.701 50 20 CBGD Cn1ncc(C(=O)NNC(=O)CO)c1-c1ccccc1 753453016 WBNXPGQIEQKYOW-UHFFFAOYSA-N 274.280 -0.160 50 20 CBGD CS[C@@H](C)CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758035952 OQMPXBDGIVJKCU-NKWVEPMBSA-N 297.402 -0.787 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@@H]2CCC(=O)NC2)nc1 759721921 RRBYMPOPKCWWRN-MRVPVSSYSA-N 292.295 -0.163 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCSC1 761834633 CBGJMLCILPIIFI-SSDOTTSWSA-N 259.331 -0.589 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 764429791 ZJHFKOUTOWCOSU-UHFFFAOYSA-N 289.650 -0.443 50 20 CBGD Cc1ncc(C(=O)NNC(=O)C(C)(C)O)c(C)n1 768258712 AIUFFEUPIXLURN-UHFFFAOYSA-N 252.274 -0.375 50 20 CBGD CCOC(=O)c1cnc(NNC(=O)c2cnn[nH]2)nc1C 778426281 NDJWAFRFSQJROR-UHFFFAOYSA-N 291.271 -0.163 50 20 CBGD COCc1cc(C(=O)NNC(=O)N2CCN(C)CC2)no1 788169995 VYFUPNDQBLRQEG-UHFFFAOYSA-N 297.315 -0.577 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H](C)c1nnnn1C1CC1 792475385 MYWPYNWEDAJSQD-SFYZADRCSA-N 295.347 -0.396 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)NCC(F)(F)F 798315106 NZKCIMRWQAWILO-UHFFFAOYSA-N 270.211 -0.643 50 20 CBGD CN1CC[C@H](NS(=O)(=O)CBr)CC1=O 800132201 OMXBJFDGCFXJMY-LURJTMIESA-N 285.163 -0.121 50 20 CBGD C#Cc1cc(F)c(NC(=O)C(=O)NNC(=O)CO)c(F)c1 802567691 VSMMWTXNQWDLTK-UHFFFAOYSA-N 297.217 -0.976 50 20 CBGD O=C(CNC(=O)c1ccc(F)c(F)c1)NNc1nc[nH]n1 816633924 REVDFUGCVUHLGZ-UHFFFAOYSA-N 296.237 -0.044 50 20 CBGD CCOC(=O)NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 821334278 LIXWOMAKTJZFSU-UHFFFAOYSA-N 265.233 -0.414 50 20 CBGD O=C(NNc1cnccn1)c1ccc(-c2nn[nH]n2)[nH]1 826449869 MUFUALRUOMZSCC-UHFFFAOYSA-N 271.244 -0.258 50 20 CBGD CCN1CC[C@H](NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1=O 826732746 QPNLGNRSAHXRDC-BBBLOLIVSA-N 298.343 -0.637 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H](F)C(F)(F)F 827831970 QSAIPPVUVBARAG-SSDOTTSWSA-N 285.197 -0.343 50 20 CBGD CN(NC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]21)C(N)=O 831519481 NIYIENNJUCTWCJ-YIZRAAEISA-N 268.317 -0.277 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCn1ccccc1=O 843641614 CNNUGEJPPSTWLR-GHMZBOCLSA-N 293.323 -0.189 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(C(N)=O)c1 843971727 DIFWFVGHUSRRBJ-KCJUWKMLSA-N 291.307 -0.029 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc(S)[nH]1 843972259 ULBZHHQBFKJRDL-NTSWFWBYSA-N 270.314 -0.116 50 20 CBGD O=C(CO)NNC(=O)Cc1ccc2c(c1)OC(F)(F)O2 846637482 XBGHIMKWZMPLAC-UHFFFAOYSA-N 288.206 -0.310 50 20 CBGD CC[C@H](CO)C(=O)NN(C)C(=S)NCCCOC 854283851 MXYGXDUQXFDJLJ-SECBINFHSA-N 277.390 -0.121 50 20 CBGD C#CCO[C@@H](C)C(=O)NN(C)C(=S)NCCCOC 854284886 AZTYANVRIWTVOO-JTQLQIEISA-N 287.385 -0.101 50 20 CBGD N#CSCCCNC(=O)Cn1cnc([N+](=O)[O-])n1 854363370 XWSTWYBKQYUFDE-UHFFFAOYSA-N 270.274 -0.093 50 20 CBGD CC(C)[C@@](C)(O)C(=O)NNC(=O)N1CCN(C)CC1 854378950 JEQDPOOBDWIKEQ-GFCCVEGCSA-N 272.349 -0.618 50 20 CBGD CC1CCN(C(=O)C(=O)NNC(=O)c2cc[nH]n2)CC1 855356444 MEKWFSDSQCZVHH-UHFFFAOYSA-N 279.300 -0.571 50 20 CBGD CSC1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCC1 862458902 JQLATNZSXGXUHB-SSDOTTSWSA-N 271.342 -0.302 50 20 CBGD CC1=C(C(=O)NNC(=O)CS(C)(=O)=O)CCC1 863464052 FDASUOVGSJFUAY-UHFFFAOYSA-N 260.315 -0.321 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCNC1=O)c1ccccc1 864412111 IKWHXFSHVYMPML-SNVBAGLBSA-N 261.281 -0.026 50 20 CBGD O=C(/C=C\CN1CCOCC1)NNc1ncccn1 864768949 NZWSUEHLQCYATK-IWQZZHSRSA-N 263.301 -0.192 50 20 CBGD O=C(NCC1CC=CC1)NNC(=O)C(=O)N1CCCC1 875798664 WNAUJOGVSVUGOX-UHFFFAOYSA-N 280.328 -0.095 50 20 CBGD OCC[C@@H](NCc1ccccc1B(O)O)C(F)(F)F 895886290 TTWJHVQOQJUDSU-SNVBAGLBSA-N 277.051 -0.231 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)N[C@@H]2C(=O)NCC2(C)C)cn1 914434782 RIIOIUQCVTVJFZ-LLMHMKPQSA-N 287.323 -0.032 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@@H]2CCN(C)C[C@@H]2C1 931438917 QUUSWDMVEORRHC-NWDGAFQWSA-N 282.388 -0.327 50 20 CBGD CCOC(=O)[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 932647576 ZESLCJPMSJOTDX-SNVBAGLBSA-N 283.328 -0.571 50 20 CBGD CCc1noc(COCC(=O)NN(C)CCOC)n1 935910629 MKVIUJHBYXGBEP-UHFFFAOYSA-N 272.305 -0.242 50 20 CBGD O=C(CN1C(=O)CCC1=O)NNC(=O)c1ccccc1F 1115813406 LUDCOKJNNQUWPM-UHFFFAOYSA-N 293.254 -0.264 50 20 CBGD O=C(NNC(=O)c1ccc(-n2cncn2)nc1)NC1CC1 1115898791 PMMPEAZMINKXSC-UHFFFAOYSA-N 287.283 -0.231 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(C(N)=O)cn1 1115932657 SIOOSKFPERCXHO-UHFFFAOYSA-N 251.246 -0.856 50 20 CBGD O=C(CO)NNC(=O)Nc1ccnn1C[C@H]1CCOC1 1255198772 AGAVAUOCVFNRKI-MRVPVSSYSA-N 283.288 -0.935 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCCc2cscn2)N1 1261791305 MQBLDRNLLYVDDL-MRVPVSSYSA-N 297.340 -0.705 50 20 CBGD COCCCCNC(=O)NNC(=O)C(=O)N1CCCC1 1318077754 KZSZMKVBUIWQMB-UHFFFAOYSA-N 286.332 -0.634 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)c1cnn(C)c1 1318946222 UHEYAJARTPQPND-MRVPVSSYSA-N 281.316 -0.804 50 20 CBGD NC(=O)c1ccc(NNC(=O)C[C@@H]2CCOC2)nn1 1319587814 KUEVOYNBZYAQQX-ZETCQYMHSA-N 265.273 -0.555 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cnn(C)c2)CCO1 1319961672 CITHJGHUWKFCQH-SCZZXKLOSA-N 281.316 -0.068 50 20 CBGD N#CC1(C(=O)NNC(=O)NC2CC2)CCOCC1 1321650620 POOUOUCDBKZQOE-UHFFFAOYSA-N 252.274 -0.200 50 20 CBGD CC(=O)NC1CCN(CC(=O)NNC(=O)C(C)(C)C)CC1 1322768147 KEOLWNSKJKSJIJ-UHFFFAOYSA-N 298.387 -0.220 50 20 CBGD COCC(=O)NCCC(=O)NNc1ccc(Cl)nn1 1323002589 ZVEOZXPNQGKGJI-UHFFFAOYSA-N 287.707 -0.274 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)CO[C@H]2CCOC2)n1 1323510135 DMDPPNQOAPROQY-NSHDSACASA-N 296.327 -0.547 50 20 CBGD Cn1cc(C(=O)NNC(=O)COCc2ccncc2)cn1 1323619120 FSEAMQQKHUACLA-UHFFFAOYSA-N 289.295 -0.207 50 20 CBGD CCCNC(=O)NNC(=O)C[C@@H]1CCCS(=O)(=O)C1 1324940842 OMSYZOSRMADSMA-VIFPVBQESA-N 291.373 -0.058 50 20 CBGD Cc1nnc(COCC(=O)NN(C)C(N)=O)s1 1325892002 JDWOAOGYGTYCBA-UHFFFAOYSA-N 259.291 -0.595 50 20 CBGD O=C(C[C@@H]1CC(=O)N1)NNc1nc(-c2cccnc2)no1 1330355791 OWGNPXUQMDEBBR-QMMMGPOBSA-N 288.267 -0.147 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NNc1ccncn1 1332094124 PSYLCFDHHASIGU-JGVFFNPUSA-N 280.288 -0.441 50 20 CBGD CO[C@]1(C(=O)NNc2cnnn2C)CCSC1 1333798043 LIFHIRUREZKBKZ-SECBINFHSA-N 257.319 -0.220 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CC(c2cnn(C)c2)=NO1 1353717824 WDEZPYXYLFPEJA-SECBINFHSA-N 296.356 -0.620 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@H]2CCNC[C@H]21 1575398870 RSOYYQINLKKDCQ-NXEZZACHSA-N 254.334 -0.917 50 20 CBGD C/C=C/[C@@H]1CNC[C@H]1C(=O)NNC(=O)c1cc[nH]n1 1576925900 WDEPHUGJTBEAOU-KHVQUVQLSA-N 263.301 -0.418 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCCc1cnn[nH]1 1577226846 SAIXEXCOQNZERK-UHFFFAOYSA-N 277.288 -0.380 50 20 CBGD C[C@@H](C(=O)N1CC=C(C#N)CC1)n1cnc(-c2nn[nH]n2)n1 1588948383 JJQJUMVAFDLGLF-QMMMGPOBSA-N 299.298 -0.299 50 20 CBGD CC[C@H](C)C[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)O 1594947062 YKGRFGNKLLWXSG-CABZTGNLSA-N 293.128 -0.014 50 20 CBGD C[C@H](CNC(=O)NNC(=O)C(=O)O)CC1(C)OCCO1 1604178651 KSHPDNZZKGJAAD-ZETCQYMHSA-N 289.288 -0.809 50 20 CBGD O=C(NNC(=O)[C@@H](C(=O)O)C1CC1)c1cnsn1 1605814786 TXIDDNXDJJMXNN-LURJTMIESA-N 270.270 -0.590 50 20 CBGD O=C(O)c1ccccc1S(=O)(=O)N1CC[C@@H](B(O)O)C1 1608948893 JEDWOKZXFFDPSH-MRVPVSSYSA-N 299.113 -0.378 50 20 CBGD NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1795968001 PVVPAYXSZKVKTG-UTINFBMNSA-N 289.763 -0.817 50 20 CBGD Cn1nnnc1SCC(=O)NNC(=O)c1cccs1 39587516 GZFZFIGRZSTDAE-UHFFFAOYSA-N 298.353 -0.175 50 20 CBGD C[C@@H](NC(=O)NNc1ncccn1)[C@H]1CN(C)CCO1 152449219 BBQIINYGFSNFOX-NXEZZACHSA-N 280.332 -0.178 50 20 CBGD CCN1CCO[C@H](C(=O)NNc2nc3ccccn3n2)C1 191886121 UACHHUUHEFZLMK-JTQLQIEISA-N 290.327 -0.107 50 20 CBGD O=C(CN1CCCCC1=O)NNC(=O)C1CCC1 264785097 QWGWLODPFMWXSK-UHFFFAOYSA-N 253.302 -0.054 50 20 CBGD CC[C@@H]1CC[C@H](C(=O)NNC(=O)C(=O)NC2CC2)O1 268273805 HWSCDBXFLJFIAO-RKDXNWHRSA-N 269.301 -0.630 50 20 CBGD Cc1cc(C(=O)NNC(=O)C2CCN(C)CC2)[nH]n1 270626928 IKUBVAAWRJSZID-UHFFFAOYSA-N 265.317 -0.179 50 20 CBGD CCS(=O)(=O)CC(=O)NNC(=O)c1cccc(C)n1 279791307 KGDAPXDLASDVIL-UHFFFAOYSA-N 285.325 -0.414 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1=CCCCC1 290225171 KGDZWLSXFYFXIM-MRVPVSSYSA-N 289.357 -0.428 50 20 CBGD CCCS(=O)(=O)CC(=O)Nc1cccc(B(O)O)c1 584909295 CAICJNBPZNJPAX-UHFFFAOYSA-N 285.130 -0.870 50 20 CBGD N#CCCN(CCC#N)C(=O)c1ccc(B(O)O)c(F)c1 584933499 CXHGWTYRFKSNHB-UHFFFAOYSA-N 289.075 -0.225 50 20 CBGD CN(C[C@@H]1CCOC1)C(=O)c1ccc(B(O)O)c(F)c1 584960476 LRVFAOVQKXENRE-VIFPVBQESA-N 281.092 -0.386 50 20 CBGD O=C(NC[C@H]1CCC[C@@H](CO)C1)c1ccc(B(O)O)cc1 584990002 MYYSAQUHBYMMKS-NWDGAFQWSA-N 291.156 -0.105 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1F)[C@@H](C)CO 585025526 WJFWYZUCDYVNCW-IUCAKERBSA-N 255.098 -0.388 50 20 CBGD CCC(=O)N1CC[C@H](NCc2ccc(B(O)O)cc2F)C1 585031635 WOOVVLFOLXGSLC-LBPRGKRZSA-N 294.135 -0.394 50 20 CBGD O=S(=O)(NCB(O)O)c1c[nH]c2nccc(Cl)c12 585055491 CWHVLVIBNRFIML-UHFFFAOYSA-N 289.509 -0.493 50 20 CBGD O=C1CSc2ncnc(N3CC[C@H](B(O)O)C3)c2N1 585078378 CWFLJIMOJRRFEG-LURJTMIESA-N 280.118 -0.426 50 20 CBGD O=C1CC(C(=O)NNC(=O)CNc2ccccc2)=NN1 732262830 GFDWDZGGASNTFJ-UHFFFAOYSA-N 275.268 -0.878 50 20 CBGD CC(C)NC(=O)CN(C)CC(=O)NNc1cccnn1 736704163 NMPZUNYVBHZCRG-UHFFFAOYSA-N 280.332 -0.624 50 20 CBGD CN1CC[C@H](NC(=O)NNC(=O)C2CCCC2)C1=O 739059583 PKIRIDLRRLEAFB-VIFPVBQESA-N 268.317 -0.262 50 20 CBGD CCNC(=O)NNC(=O)[C@@H](CC)N1CCCC1=O 746166587 AENDRHCEEMVIEE-MRVPVSSYSA-N 256.306 -0.262 50 20 CBGD CON(C)C(=O)c1ccc(NC(=O)NNC(=O)CO)cc1 756503427 LMQNBYPKXHFIIY-UHFFFAOYSA-N 296.283 -0.535 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@](C)(C(=O)OC)C1 759787671 TZHGXNSDXNIRPQ-ZANVPECISA-N 285.344 -0.183 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCNC(=O)C[C@@H]1C 761058304 WFYQRHDGCHBXLV-WDEREUQCSA-N 298.387 -0.221 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCN2CCC[C@@H]12 765575080 GGTCTWNCAXVKAJ-WPRPVWTQSA-N 288.373 -0.736 50 20 CBGD COc1ccc(NNC(=O)C2=NNC(=O)C2)c([N+](=O)[O-])c1 768332486 UAIDZCDHDJSMST-UHFFFAOYSA-N 293.239 -0.078 50 20 CBGD O=C(CO)NNC(=O)CCCNC(=O)c1ccccc1 777781090 GTJHTUXLTGRVQN-UHFFFAOYSA-N 279.296 -0.664 50 20 CBGD C[C@H](C[S@@](C)=O)NC(=O)NNC(=O)C1CCC1 784534464 ALKHABGZNZIRTR-IWEMQMMOSA-N 261.347 -0.116 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)n[nH]1 787184107 NJTNJSHSVMSBGK-DTWKUNHWSA-N 293.327 -0.229 50 20 CBGD CC(=O)N1CC(C(=O)NNc2ncccc2[N+](=O)[O-])C1 788587662 ICUHFUICUVIZOZ-UHFFFAOYSA-N 279.256 -0.089 50 20 CBGD CC[C@](C)(OC)C(=O)NNC(=O)Cc1cc[nH]n1 795084699 FEXFQYANBPACRH-NSHDSACASA-N 254.290 -0.085 50 20 CBGD O=C(CCn1ccnc1)NNC(=O)N=c1cc[nH]cc1 802028150 LVGIZRRVGANHRV-UHFFFAOYSA-N 274.284 -0.057 50 20 CBGD O=C(NNC(=O)c1cnn[nH]1)c1ccc2oc(O)nc2c1 806795564 DQYPOIYARYMOTH-UHFFFAOYSA-N 288.223 -0.274 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](C)NC(C)=O 807370439 IMPRVHCIPBXRKB-MRVPVSSYSA-N 289.332 -0.552 50 20 CBGD O=C(NNC(=O)c1cc2n(n1)CCO2)c1ccncc1 809937596 WWOLOCWHKSRFPG-UHFFFAOYSA-N 273.252 -0.255 50 20 CBGD O=C(CCn1cnccc1=O)NNC(=O)c1ccncc1 814185072 UBVHGRUTXDSVIE-UHFFFAOYSA-N 287.279 -0.510 50 20 CBGD CCN(CCO)NC(=O)COCc1nnc(C)s1 823885129 XGYHIVXNKOLAPY-UHFFFAOYSA-N 274.346 -0.291 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCn1ccnc1 825583281 MZRVVDLUKIGQJO-VHSXEESVSA-N 281.316 -0.362 50 20 CBGD CC(=O)NCCN(C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 827259768 LRHHRCNETYXULA-PSASIEDQSA-N 286.332 -0.780 50 20 CBGD CC(C)C(=O)NNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 827315739 VCJAXCNHLPXCNX-YUMQZZPRSA-N 272.305 -0.571 50 20 CBGD CC(C)(O)C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 827749467 WLWUCHFAHVJLQA-UHFFFAOYSA-N 291.156 -0.011 50 20 CBGD CC1=NO[C@@H](C(=O)NNC(=O)c2cnn(C)c2)C1 828087078 CAIJCDAYSWNKNZ-MRVPVSSYSA-N 251.246 -0.654 50 20 CBGD O=C(NNc1cccc(F)n1)[C@@H]1CCS(=O)(=O)N1 846140161 HWGSMOPLNPUHSG-LURJTMIESA-N 274.277 -0.645 50 20 CBGD NC(=O)CSCC(=O)NNC(=S)NCC1CCC1 855091299 KQDVMBYCZTXLKQ-UHFFFAOYSA-N 290.414 -0.500 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCC2CCC2)N1 858292417 ZSBJCGATSRNSFV-VIFPVBQESA-N 268.317 -0.214 50 20 CBGD C=C(C)COCCNC(=O)NNC(=O)c1cn[nH]c1 858300518 JXKQQMNAHDUBQE-UHFFFAOYSA-N 267.289 -0.054 50 20 CBGD C[C@@H]1SCC[C@@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858577550 KXOMQHLINGXDLI-FXQIFTODSA-N 286.357 -0.511 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H](O)C2CCCCC2)N1 862458400 FJWSCKGKCHNZEZ-MWLCHTKSSA-N 283.328 -0.646 50 20 CBGD COC(=O)CCC(C)=NNC(=O)CS(C)(=O)=O 863187396 KBAOSTAQATWFCM-UHFFFAOYSA-N 264.303 -0.524 50 20 CBGD N#CSCCCNC(=O)c1cc(B(O)O)ccc1F 863881049 KGBBJQGCIDOLMD-UHFFFAOYSA-N 282.105 -0.160 50 20 CBGD O=C(NCC(=O)C1CCCC1)c1ccc(B(O)O)cc1 863887654 QQLNIWFCWYVFGA-UHFFFAOYSA-N 275.113 -0.145 50 20 CBGD Cn1cnnc1S(=O)(=O)NCC(Cl)Cl 867471143 XAPKEOSAMZNZFH-UHFFFAOYSA-N 259.118 -0.103 50 20 CBGD COC(=O)N(C)NC(=O)N[C@H]1CCN(C(C)C)C1=O 875291906 PYNYQQILQLSGEO-QMMMGPOBSA-N 272.305 -0.092 50 20 CBGD CCCN1CCC[C@H](C(=O)NNC(=O)C(=O)NC(C)C)C1 905361102 FDENKDMJJHKBED-NSHDSACASA-N 298.387 -0.220 50 20 CBGD NC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ncc(F)cc1F 909545466 HSELZXSJHZSOKR-RITPCOANSA-N 256.212 -0.076 50 20 CBGD CCn1cc(C(=O)NNc2ccc(C(N)=O)nn2)cn1 1116251824 ZOTDFRRFWHXGMX-UHFFFAOYSA-N 275.272 -0.451 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@]1(C)CCOC1 1116582177 CWGKJKORXORSLD-ZDUSSCGKSA-N 285.344 -0.135 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)N2CCC(O)(CO)CC2)cn1 1118731800 QJGJIPYFGTZZBD-WUXMJOGZSA-N 290.323 -0.327 50 20 CBGD C[C@H]1[C@@H](C)N(C(=O)NNC(=O)c2cn[nH]c2)CC[S@@]1=O 1118810413 ICHONUIWQWYCPS-RDLWGGRYSA-N 299.356 -0.395 50 20 CBGD CC(=O)N[C@H](C(=O)N1CC[C@@H](B(O)O)C1)C(C)C 1118916233 MXOCGPZXBSJULQ-ZJUUUORDSA-N 256.111 -0.778 50 20 CBGD COc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)sn1 1118944167 WQCDPQSTSQSZCN-RXMQYKEDSA-N 284.297 -0.809 50 20 CBGD Cc1sc(=O)n(CC(=O)NN(C)[C@@H](C)CO)c1C 1119104824 MZXFABNYKVZLLK-ZETCQYMHSA-N 273.358 -0.130 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1ccncc1)N1C(=O)CCC1=O 1251555603 WIKAVPCWRXZBNN-QMMMGPOBSA-N 290.279 -0.620 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)on1 1261830505 ZFPBWDAAKCKYTC-LURJTMIESA-N 252.230 -0.977 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2ccco2)N1 1318090283 YKZFPHCIGBUQMK-MRVPVSSYSA-N 266.257 -0.611 50 20 CBGD Cc1nc(C)c(CC(=O)NNC(=O)CN(C)C)c(O)n1 1318521910 RXHOWJWSBLLDEU-UHFFFAOYSA-N 281.316 -0.949 50 20 CBGD CNC(=O)NCC(=O)NNc1nncc(N)c1Cl 1319577677 VBUGAARZAHEINR-UHFFFAOYSA-N 273.684 -0.916 50 20 CBGD COC(=O)NNC(=O)c1ncc(C(N)=O)cc1Cl 1320388311 WEZTWZIVGMIJKY-UHFFFAOYSA-N 272.648 -0.165 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@]2(F)CCOC2)n[nH]1 1323016983 DJHDQCKZIXCOBG-SNVBAGLBSA-N 256.237 -0.392 50 20 CBGD C[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)C[C@@H]1C(=O)O 1326186615 AKKOCNZDHHYHPZ-SCZZXKLOSA-N 283.328 -0.414 50 20 CBGD COc1cncc(NC(=O)C(=O)NNC(=O)CC(C)C)n1 1326465236 WTQCFPTUMLYLEN-UHFFFAOYSA-N 295.299 -0.383 50 20 CBGD COC(=O)N(C)NC(=O)C1CCN(C(C)=O)CC1 1326992352 IDEMRBYTVFMTGW-UHFFFAOYSA-N 257.290 -0.026 50 20 CBGD COc1cc(NC(=O)C(=O)NNC(=O)CC(C)C)[nH]n1 1329013144 DSGIZAXGTGRRKA-UHFFFAOYSA-N 283.288 -0.450 50 20 CBGD C[C@H](C[C@H]1CCOC1)NC(=O)NNC(=O)C(=O)NC1CC1 1332887901 BENQLSCLOWRNDD-RKDXNWHRSA-N 298.343 -0.590 50 20 CBGD C[C@]1(C(=O)NNC(=O)CC(F)(F)F)C[C@@H](O)CN1 1573601859 RUFNHXXLCGFOOL-SVGQVSJJSA-N 269.223 -0.801 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@]2(C)C[C@H](O)CN2)o1 1574148966 DPOBMPNYDPTXSD-QPUJVOFHSA-N 267.285 -0.538 50 20 CBGD O=C(Nc1n[nH]cc1C(=O)O)c1ccc(B(O)O)cc1 1574609549 XJUTUTAVIZADEX-UHFFFAOYSA-N 275.029 -0.960 50 20 CBGD CCOC(=O)[C@H](N)C(=O)NNC(=O)OC(C)(C)C 1577922275 WCSNCUPHUDLPRI-ZCFIWIBFSA-N 261.278 -0.567 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)C1(C(=O)O)CCC1 1596463350 WOSYRRBRBLPJJO-UHFFFAOYSA-N 279.318 -0.511 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 1601552830 JSBQKMYYRRXEJG-YIZRAAEISA-N 297.311 -0.251 50 20 CBGD CCC1(CC)C(=O)NCCC1=NNC(=O)C(=O)O 1605136736 CRRUXSKXTMEPEJ-UHFFFAOYSA-N 255.274 -0.131 50 20 CBGD O=C(O)[C@@H](CNCc1cccc(B(O)O)c1)C1CCC1 1605903026 BAFSGIPWTFZLLL-ZDUSSCGKSA-N 277.129 -0.043 50 20 CBGD CNC(=O)[C@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 112981890 GGUFPTSIFFGWHA-JTQLQIEISA-N 282.344 -0.998 50 20 CBGD NC(=O)[C@H]1CCCN(S(=O)(=O)CBr)C1 127106436 SOCVCMQPCGSZKX-LURJTMIESA-N 285.163 -0.134 50 20 CBGD CC(=O)NCC(=O)NCC(=O)NNc1ccc(F)cc1C 160924285 PHUKZKQIKMWJMO-UHFFFAOYSA-N 296.302 -0.170 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)[C@@H]1CC[C@H](C(N)=O)O1 289098992 MRGHWLUODHXHCE-SFYZADRCSA-N 271.317 -0.397 50 20 CBGD CNC(=O)CCCNC(=O)NNC(=O)C(C)(C)C 298971585 XVHVGJKNZLEMQT-UHFFFAOYSA-N 258.322 -0.111 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)CNC(C)=O 299162051 PKNWNPWUNFFDDQ-UHFFFAOYSA-N 279.296 -0.479 50 20 CBGD O[C@H]1CN(CCI)C[C@H]1O 306698499 XJLMIYUDMRTINH-OLQVQODUSA-N 257.071 -0.541 50 20 CBGD C[C@H](O)C(=O)NNc1nnc(-c2ccccn2)s1 365032631 GKMUKDOQKZRPNH-LURJTMIESA-N 265.298 0.424 50 20 CBGD O=S1(=O)CC(NS(=O)(=O)CCCCCl)C1 380033696 PUNYPQJTUKSYPT-UHFFFAOYSA-N 275.779 -0.278 50 20 CBGD C[C@H](OC[C@H]1CCCO1)C(=O)Nc1cccc(B(O)O)c1 584911348 UTYLTAAHKMGJEX-GXFFZTMASA-N 293.128 -0.111 50 20 CBGD C[C@@H]1CN(C)CC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584936331 CFUHJSOROCHLMN-NOZJJQNGSA-N 294.135 -0.425 50 20 CBGD OB(O)c1ccc(CNCC2(O)CCSCC2)o1 585016160 IPJQKUOATZRLEY-UHFFFAOYSA-N 271.147 -0.693 50 20 CBGD C[C@H](CNCc1cccc(B(O)O)c1)N(C)C1CC1 585023686 KZHLBBRJSPGJRR-LLVKDONJSA-N 262.162 -0.061 50 20 CBGD O=C1C[C@H](NCc2ccccc2B(O)O)CN1C1CC1 585033732 JLNMOBROJAUTBH-NSHDSACASA-N 274.129 -0.781 50 20 CBGD CN(C)c1ccc([C@@H]2C[C@H]2C(=O)NCB(O)O)cc1 585060249 CIFCNAQIBMRHGA-NWDGAFQWSA-N 262.118 -0.016 50 20 CBGD Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCB(O)O 585062814 NNLNPBVJFJYTIG-UHFFFAOYSA-N 252.035 -0.047 50 20 CBGD CCCn1nccc1C(=O)N1CC[C@H](B(O)O)C1 585065382 CSVLMWMLKWZVNI-VIFPVBQESA-N 251.095 -0.018 50 20 CBGD C=CCOCC(=O)NNC(=O)CNC(=O)c1cccs1 729358556 FWNSJPFQNMQNHE-UHFFFAOYSA-N 297.336 -0.172 50 20 CBGD O=C(NNC(=O)c1ccc([N+](=O)[O-])o1)c1cnn[nH]1 729455381 ALMMWGSBVFUUNV-UHFFFAOYSA-N 266.173 -0.619 50 20 CBGD O=C(NNC(=O)C1CC1)c1ccc(-c2nn[nH]n2)cn1 738129603 DZQHUAKGBDHSBD-UHFFFAOYSA-N 273.256 -0.567 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCCN(C)C(=O)O 738827080 IECBNNBIERNXPX-UHFFFAOYSA-N 283.288 -0.131 50 20 CBGD CNC(=O)[C@H]1CCCCN1CC(=O)NNC(=O)C(C)(C)C 744386967 JJYINBMLTGFQBO-SNVBAGLBSA-N 298.387 -0.220 50 20 CBGD CN(C)C(=O)NNC(=O)Cn1nnc2ccccc2c1=O 746003166 BOIIGIHZQFUVMO-UHFFFAOYSA-N 290.283 -0.906 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H](C)NC(C)=O)n1 746626047 SPPQEGBODPNOPC-SSDOTTSWSA-N 267.289 -0.239 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCCn1ccnc1 748452609 GNQDKAQKRAIFJA-SNVBAGLBSA-N 299.331 -0.735 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cc([N+](=O)[O-])c[nH]1 755269752 OBWGPFXTCXHIKE-UHFFFAOYSA-N 278.228 -0.350 50 20 CBGD Nc1ncc([N+](=O)[O-])cc1C(=O)NNC(=O)NCC1CC1 759594618 YACBWIZAFVBXIY-UHFFFAOYSA-N 294.271 -0.074 50 20 CBGD Cn1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)c1 763325554 IHFLZQWDKFMRCV-UHFFFAOYSA-N 264.285 -0.592 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(CC)CC(=O)N(C)C 764192479 NSUKYSQGRLMQGR-VIFPVBQESA-N 272.349 -0.658 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)NC2CCCC2)nn1 768482054 HICMCALADUIWIF-UHFFFAOYSA-N 280.288 -0.062 50 20 CBGD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)C1CCC1 779516242 CMSMOQJNXXEHHR-GMSGAONNSA-N 283.328 -0.791 50 20 CBGD COC(=O)c1cn(CC(=O)NNc2ccnc(F)c2)nn1 781369034 WUPIZHMEXXWCPW-UHFFFAOYSA-N 294.246 -0.258 50 20 CBGD Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCN(C)C2=O)n1 792954079 CWPLOFFZONPVDL-SNVBAGLBSA-N 291.311 -0.435 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@@](C)(C(N)=O)C1 796582795 YWHRMCIKRNDRAS-CYBMUJFWSA-N 284.360 -0.623 50 20 CBGD COC[C@H](O)CNC(=O)NNC(=O)c1ccccc1OC 801750359 RCRDKLAWUYBOCF-SECBINFHSA-N 297.311 -0.354 50 20 CBGD CCOCC(=O)NN=Cc1cnc(N(C)C)n1C 811642370 OKLRCXDBVSFVSV-UHFFFAOYSA-N 253.306 -0.027 50 20 CBGD CCN(CCO)NC(=O)CN1C(=O)c2ccccc2C1=O 823833738 HCUJNQLGGGOZLP-UHFFFAOYSA-N 291.307 -0.372 50 20 CBGD CS(=O)(=O)c1ccccc1NNC(=O)[C@H]1CC(=O)N1 830425963 IYWBCOVLICVCDR-MRVPVSSYSA-N 283.309 -0.578 50 20 CBGD CCCN1C[C@@H](C(=O)NNC(=O)c2cc(C)[nH]n2)CC1=O 839705475 JNQFYVIBLZJISR-VIFPVBQESA-N 293.327 -0.262 50 20 CBGD CC[C@@H](C#N)C(=O)NNC(=O)CNC(=O)c1ccco1 845378254 AOLQRYLHEZALAZ-QMMMGPOBSA-N 278.268 -0.293 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H]2CCC[C@]2(CN)C1 846224232 IGFWMNLJOCWGDQ-MJVIPROJSA-N 282.388 -0.007 50 20 CBGD COCCCOCCC(=O)NNC(=O)c1cn[nH]c1 862469245 DCXHVOLLQPNKIS-UHFFFAOYSA-N 270.289 -0.386 50 20 CBGD CC(=O)CC1(C(=O)NNC(=O)CS(C)(=O)=O)CCC1 863465259 ZJPPOBMCUXZJKA-UHFFFAOYSA-N 290.341 -0.672 50 20 CBGD CC[C@H](NC(C)=O)C(=O)NNc1ncc(F)cn1 867042241 AFLAGLUJOXFTTF-QMMMGPOBSA-N 255.253 -0.027 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 869901753 YFGSWRIWLSUVAK-SVDPJWKOSA-N 288.344 -0.144 50 20 CBGD O=C(CCO)NN=Cc1cnc(N2CCOCC2)s1 1116378860 DZHURNBITZATOH-UHFFFAOYSA-N 284.341 -0.188 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@@H]1CCC(=O)N1 1118918517 VKLLNBPIWYWWOB-VIFPVBQESA-N 262.269 -0.950 50 20 CBGD COC(=O)/C=C(/C)COc1ccc(B(O)O)cc1 1262191559 ZULMCQXMTHAGIU-CLFYSBASSA-N 250.059 -0.136 50 20 CBGD NC(=O)c1csc(C(=O)NNC(=O)Cc2cc[nH]n2)c1 1320230125 MDYBFZUKOXQUIO-UHFFFAOYSA-N 293.308 -0.426 50 20 CBGD C[C@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)C(=O)NC1CC1 1321540218 MIMQMXVWUZFRMN-HTQZYQBOSA-N 281.312 -0.582 50 20 CBGD C=C[C@@](C)(O)CC(=O)NNc1nnc(C)c(O)n1 1323878885 HVIPESAOLGCAGF-SNVBAGLBSA-N 253.262 -0.344 50 20 CBGD COc1ccc(NNC(=O)COCc2nncn2C)nc1 1324321904 LTIABZPCQSMAPT-UHFFFAOYSA-N 292.299 -0.121 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)CC2CC2)cn1 1326529412 UOVCWAHKDWTJSQ-UHFFFAOYSA-N 262.269 -0.258 50 20 CBGD Cc1csc(C(=O)NNC(=O)CN2C(=O)CNC2=O)c1 1329272780 FDCGWSYBCAOYLV-UHFFFAOYSA-N 296.308 -0.631 50 20 CBGD CN1C(=O)CCC[C@@H]1C(=O)NNc1cnnn1C 1336889418 UBOCMKLNNMAOAS-SSDOTTSWSA-N 252.278 -0.731 50 20 CBGD CS(=O)(=O)c1ccc(C=NNC(=O)CCO)cc1 1339929106 NZPLHQPBMMMSRD-UHFFFAOYSA-N 270.310 -0.077 50 20 CBGD C[C@@H](NC(=O)NNc1ccccn1)c1nnnn1C 1340422646 PGKUZURSQAETFM-SSDOTTSWSA-N 262.277 -0.008 50 20 CBGD O=C(NNC(=O)[C@@H]1CC[C@H]1C(=O)O)c1cn[nH]c1 1574578534 IROYUTDRQKYWHJ-RNFRBKRXSA-N 252.230 -0.719 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1591111615 RMGCQJGUQARFMF-SFYZADRCSA-N 258.274 -0.188 50 20 CBGD C[C@H]1C[C@@H](CCNC(=O)NNC(=O)C(=O)O)CCO1 1594232528 MDVOHOFEYXMLAB-YUMQZZPRSA-N 273.289 -0.393 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CCC1)c1ncon1 1594779025 IWCOPGSJZOHQMS-UHFFFAOYSA-N 254.202 -0.915 50 20 CBGD O=C(O)CCC(=O)OCC(=O)NNC(=O)c1ccccc1 1594998455 PPQVVDWKHRXUPH-UHFFFAOYSA-N 294.263 -0.144 50 20 CBGD C[C@@H](C(=O)O)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 1609701188 SURXCKKOCAXQQQ-ZCFIWIBFSA-N 289.288 -0.621 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1cc(C(=O)O)co1 1610095755 QEWPYCYMOKYCQY-UHFFFAOYSA-N 277.258 -0.558 50 20 CBGD CNC(=O)NNC(=O)c1cccc(NC(N)=O)c1 48949458 XZTLGXMDRRTXNZ-UHFFFAOYSA-N 251.246 -0.249 50 20 CBGD CN1C[C@H](NC(=O)NNc2cncc(Cl)n2)CC1=O 267614985 KMGULMOPVAMRGM-ZCFIWIBFSA-N 284.707 -0.013 50 20 CBGD CCS(=O)(=O)CC(=O)NNC(=S)NCCSC 271364502 FKFSVUUAQQTMRO-UHFFFAOYSA-N 299.443 -0.721 50 20 CBGD COc1cccc(NNC(=O)NCCS(C)(=O)=O)n1 272499776 GNPONLNSPZFWPF-UHFFFAOYSA-N 288.329 -0.239 50 20 CBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CC#N 274773888 MPKBCMGASJHLRQ-SSDOTTSWSA-N 270.289 -0.039 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)[C@]1(O)CCSC1 281370018 WQSZVZQUXBVHSN-ZETCQYMHSA-N 287.263 -0.253 50 20 CBGD O=C(NNc1cccnn1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 363312582 MMHJPWQSMXKTQZ-QMMMGPOBSA-N 287.283 -0.304 50 20 CBGD C#CCN(CC#N)CC(=O)NNC(=O)c1ccccc1 491660000 CYWXFSIUHUTTBA-UHFFFAOYSA-N 270.292 -0.094 50 20 CBGD C[C@@H]1CN(C)C[C@H](C(=O)Nc2cccc(B(O)O)c2)O1 584912163 PPXLADRNOKZZBF-BXKDBHETSA-N 278.117 -0.976 50 20 CBGD Cc1noc(CCCNC(=O)c2ccc(B(O)O)cc2)n1 584940243 RRPOMQFERXUKSJ-UHFFFAOYSA-N 289.100 -0.580 50 20 CBGD COCCN(CCC#N)C(=O)c1cccc(B(O)O)c1 584944227 QJLUMXCXENLAFP-UHFFFAOYSA-N 276.101 -0.631 50 20 CBGD CC(C)[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)CCN1C 584981059 RPYXXYQOSMCSTM-CQSZACIVSA-N 290.172 -0.221 50 20 CBGD OB(O)c1ccc(CNCCOC[C@@H]2CCCO2)o1 585030178 XOYARPFKQQMPNL-NSHDSACASA-N 269.106 -0.755 50 20 CBGD O=C1C[C@@H](NCc2cccc(B(O)O)c2)CN1C1CC1 585033925 KHJRUZBOWILLJJ-GFCCVEGCSA-N 274.129 -0.781 50 20 CBGD CCOCC(C)=NNC(=O)[C@@H]1CCS(=O)(=O)C1 726423292 FPDWWCAGOAVFQQ-SECBINFHSA-N 262.331 -0.050 50 20 CBGD CC[C@@H](CO)NCC(=O)NNC(=O)c1cccs1 727058855 DSAVZDMADQQNGI-QMMMGPOBSA-N 271.342 -0.130 50 20 CBGD CO[C@@H](C)CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 728162520 ZCJUMUVVLPSSEP-VHSXEESVSA-N 278.374 -0.096 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H](C)N1CCN(C)CC1 732913072 SLHYTAZPGTUOQZ-SNVBAGLBSA-N 271.365 -0.637 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C)n1cncn1 740851786 VYURRTLAPTXQJP-QMMMGPOBSA-N 296.331 -0.709 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccc(C#N)[nH]1 751715710 AVGRVHAYXMMYKV-UHFFFAOYSA-N 265.273 -0.133 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(CC)[C@H](C)C1 754385970 KORJNOUFORSDED-MNOVXSKESA-N 270.377 -0.042 50 20 CBGD C[C@@H]1OCC[C@@]1(C)NCC(=O)NNC(=O)C1CC1 755170048 PZQCKUOUFSYNAQ-QPUJVOFHSA-N 255.318 -0.299 50 20 CBGD O=C(NN=C1CCN2CCC[C@H]12)C(=O)N1CCCC1 765573226 ZHRVIMUWLQWVKL-LLVKDONJSA-N 264.329 -0.051 50 20 CBGD CC[C@@H](NNC(=O)[C@@H](C)OCCOC)C(=O)OC 790444629 JSUWVGPQXUNUIC-RKDXNWHRSA-N 262.306 -0.390 50 20 CBGD CC[C@H](C)[C@H](OC)C(=O)NNC(=O)C(=O)N1CCCC1 793303988 IJWGMJUIWSBKDZ-UWVGGRQHSA-N 285.344 -0.183 50 20 CBGD CN1CCN(C(=O)NNC(=O)C2(C)COC2)CC1 807381317 NYBIXEGUVWFLJU-UHFFFAOYSA-N 256.306 -0.989 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1csnn1 814835427 QOGCFRVXRRVWQT-LURJTMIESA-N 291.358 -0.684 50 20 CBGD O=C(O)CCNC(=O)NNC(=O)Cc1cccnc1 819492605 RRNPHRBIKVQAAO-UHFFFAOYSA-N 266.257 -0.571 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@]1(C)CCNC1=O 821492048 KVLDTLATTJYLNK-JTQLQIEISA-N 290.414 -0.629 50 20 CBGD CNc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1F 824857165 PHXZESBTXXYQKK-JTQLQIEISA-N 294.286 -0.093 50 20 CBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)c1ccncc1 827304514 WOGMRIMAAHLUGT-ZETCQYMHSA-N 251.242 -0.047 50 20 CBGD CCN1CCN(CC(=O)NNC(=O)C(C)C)C(C)(C)C1=O 828988468 YFKOJRRJQZOJPC-UHFFFAOYSA-N 298.387 -0.268 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H]2COC(=O)N[C@H]2C1 830922993 YMWLZHVBOMNVKM-BBBLOLIVSA-N 298.343 -0.637 50 20 CBGD CC(C)c1nnnn1CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843656092 XGEGNNLJAHZUCW-RKDXNWHRSA-N 296.331 -0.631 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(C(N)=O)CCC1 843971723 DGZKWOKTYFCBTC-SFYZADRCSA-N 269.301 -0.786 50 20 CBGD COc1ccc(CCC(=O)NNC(=O)[C@@H]2CC(=O)N2)cc1 854511400 TXLCIYXOVRHBAW-NSHDSACASA-N 291.307 -0.336 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CCc2cncn2C1 854920453 CMTWRQKTNKFPGX-MRVPVSSYSA-N 267.358 -0.087 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 854924929 XGQZKNHXULESSD-ZETCQYMHSA-N 296.356 -0.770 50 20 CBGD COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c1cc[nH]n1 855354861 KZJHVAIPVOFGBS-VIFPVBQESA-N 297.315 -0.059 50 20 CBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)CS1 858538747 PFJQJOTYJKXUHP-GJMOJQLCSA-N 286.357 -0.511 50 20 CBGD CCc1noc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 861143662 RCGFMQAJYCKLCV-YFKPBYRVSA-N 282.260 -0.937 50 20 CBGD O=C(NNC(=O)c1ccccc1O)N[C@@H]1CCNC1 861704647 BYOGSJNMSJQNMH-MRVPVSSYSA-N 264.285 -0.302 50 20 CBGD C[C@@H](NNC(=O)CN1CCN(C)CC1)C(F)(F)F 862313684 MPAXPXCKEIKVSR-MRVPVSSYSA-N 268.283 -0.195 50 20 CBGD C[C@@H](CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 862454097 QIUWPDJWUHIWKL-CBAPKCEASA-N 253.302 -0.151 50 20 CBGD CC(C)c1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)no1 862457084 AREQRADUECJMJU-ZETCQYMHSA-N 280.284 -0.162 50 20 CBGD CCO[C@@H](CC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(C)C 862457164 BVPVNOQDOMNWGR-ZJUUUORDSA-N 285.344 -0.136 50 20 CBGD CCC(=NNC(=O)CS(C)(=O)=O)[C@H]1CCOC1 863189442 MSJHKAUPBXXVDI-QMMMGPOBSA-N 262.331 -0.050 50 20 CBGD COCCN(C)NC(=O)Nc1cc(=O)n(C)cn1 888499506 OALQLUGZYAEHCB-UHFFFAOYSA-N 255.278 -0.605 50 20 CBGD COc1cccc(C[C@H](O)C(=O)NN(C)C[C@@H](C)O)c1 910157917 BHSQPVRNQIXIAI-MFKMUULPSA-N 282.340 -0.058 50 20 CBGD COC(=O)c1ccn(CC(=O)NN(C)[C@H](C)CO)n1 911445328 RVCJWSRVGKSYEV-MRVPVSSYSA-N 270.289 -0.987 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CNC(=O)C2CC2)c(O)c1 918338959 GRHXZVCRDOJGIX-UHFFFAOYSA-N 291.307 -0.012 50 20 CBGD O=S(=O)(CCl)NCCN1CCC2(C1)OCCO2 920093868 ZGSVKBDRUUOQPH-UHFFFAOYSA-N 284.765 -0.449 50 20 CBGD O=C(NNC(=O)[C@@]12CCC(=O)N1CCS2)NC1CC1 920822341 LFYDSXXTNKQVDA-NSHDSACASA-N 284.341 -0.455 50 20 CBGD CC(C)n1cc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)nn1 1117530495 RANFITPHEPTDCW-SECBINFHSA-N 299.356 -0.256 50 20 CBGD O=C(NCCCC(=O)N1CC[C@@H](B(O)O)C1)C1CC1 1118975016 KXRCPAUENBMJHP-SNVBAGLBSA-N 268.122 -0.632 50 20 CBGD O=C(CC[C@H]1CCOC1)NNC(=O)C(=O)NC1CC1 1252658325 YRSPLFFNUBEQPS-QMMMGPOBSA-N 269.301 -0.771 50 20 CBGD COCCO[C@H](C)C(=O)NN=Cc1cn(C)nn1 1319589149 ZAECQPMHPPQWMC-MRVPVSSYSA-N 255.278 -0.683 50 20 CBGD COCCNC(=S)NNC(=O)Nc1noc(C)n1 1319950651 LHMVBKPRNQMLRL-UHFFFAOYSA-N 274.306 -0.475 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=S)NC(C)C)C1 1322210886 IAGLZNILEZKVCD-VIFPVBQESA-N 274.390 -0.389 50 20 CBGD CC(C)C(=O)NNC(=O)NC[C@@H]1CN(C)CCN1C 1327716994 AYCJNIPFQUDTLC-SNVBAGLBSA-N 271.365 -0.781 50 20 CBGD COCCCNC(=O)NNC(=O)c1cn(C2CC2)nn1 1329206913 CCQDLVJJGIDAKT-UHFFFAOYSA-N 282.304 -0.407 50 20 CBGD Cn1nc(C(=O)NNC(=O)NCC2CC2)cc1O 1330234122 NMXHOUJOGDIEOO-UHFFFAOYSA-N 253.262 -0.520 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)C2CCOCC2)C1=O 1333148385 BBMMRHPTICNHCO-SECBINFHSA-N 269.301 -0.961 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)C2CCOCC2)CC1=O 1334279581 LYVGVNIEIZUHBR-JTQLQIEISA-N 283.328 -0.571 50 20 CBGD CN(C)CCn1cc(C(=O)NN(C)C(N)=O)cn1 1335529944 QVWQXYQCRVDQJJ-UHFFFAOYSA-N 254.294 -0.900 50 20 CBGD O=C(NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1ccnnc1 1335962993 RWZZBYGKSFBUND-OPRDCNLKSA-N 262.269 -0.337 50 20 CBGD CC(C)C(=O)NNC(=O)NCc1cc(C(N)=O)no1 1341005179 DBWFLGZRHMUHOA-UHFFFAOYSA-N 269.261 -0.740 50 20 CBGD COC(=O)c1ccc(NC(=O)C(=O)NNC(C)=O)c(F)c1 1342590873 JRTVSFHFADCWPY-UHFFFAOYSA-N 297.242 -0.282 50 20 CBGD CO[C@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)C1CC1 1344348957 XHOVHNKUVJDEQH-QMMMGPOBSA-N 292.299 -0.063 50 20 CBGD O=C(c1nc[nH]c2nccc1-2)N1CC[C@H](B(O)O)C1 1348490262 OJSDENRHTOHOJM-ZETCQYMHSA-N 260.062 -0.402 50 20 CBGD C[C@]1(C(=O)NNC(=O)Cc2cccnc2)C[C@H](N)CCO1 1576350488 PKIMUUIKAMVOBG-BXUZGUMPSA-N 292.339 -0.332 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@H]2C[C@@H](C)CCN2)n[nH]1 1579589364 GHMWFTJYISQFEB-KWQFWETISA-N 279.344 -0.204 50 20 CBGD NC[C@H](O)C(=O)NNC(=O)Cc1ccc(Cl)cc1 1580328901 RWJFLSHGILYAKW-VIFPVBQESA-N 271.704 -0.651 50 20 CBGD COc1ccccc1OCC(=O)NNC(=O)[C@H](C)C(=O)O 1594146105 PUUNXKSQBAFURR-QMMMGPOBSA-N 296.279 -0.058 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@]2(C(=O)O)CC2(C)C)n[nH]1 1594281019 HZLUOSPMEUBNNJ-GFCCVEGCSA-N 280.284 -0.020 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@]1(C(=O)O)CCCO1 1594551418 DCRIYQDNYCKHPK-GFCCVEGCSA-N 281.268 -0.580 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@]1(C(=O)O)CCCO1 1594551419 DCRIYQDNYCKHPK-LBPRGKRZSA-N 281.268 -0.580 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)NC[C@H]1C[C@H]1C(=O)O 1601370309 XNTSRXVDJWMUKR-NXEZZACHSA-N 292.295 -0.325 50 20 CBGD O=C(O)Cn1cccc(C(=O)NNC(=O)C2CCC2)c1=O 1606355323 PARCQTGCMGYAAX-UHFFFAOYSA-N 293.279 -0.506 50 20 CBGD Cc1cc(CNC(=O)NNC(=O)C(=O)O)cc(C)n1 1607644004 VKYNKNBDTGOCAZ-UHFFFAOYSA-N 266.257 -0.387 50 20 CBGD C[C@@H](CC(=O)O)NC(=O)NNC(=O)Cc1ccccn1 1609885946 TWNOJVMBJQHHSC-QMMMGPOBSA-N 280.284 -0.182 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cnn(C)c2)n1 14894370 YTFFXKQLDVDGSV-UHFFFAOYSA-N 276.300 -0.305 50 20 CBGD Cc1cc(CC(=O)NNC(=S)NCCN(C)C)[nH]n1 17514234 FSRKXCBDLVOHKS-UHFFFAOYSA-N 284.389 -0.682 50 20 CBGD O=C(CN1CSCC1=O)NNc1ncccn1 44716304 BLXWTSJDRUJYIL-UHFFFAOYSA-N 253.287 -0.547 50 20 CBGD O=C(Cc1ccccc1)NCC(=O)NNC(=O)NC1CC1 64428535 XIJOGHPHOMRJQO-UHFFFAOYSA-N 290.323 -0.162 50 20 CBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc(F)c1 126477644 HQVDRKQEUZCNII-UHFFFAOYSA-N 282.275 -0.527 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cnn(C)c2)ncn1 135117283 IRZJLYUXOGFFHF-UHFFFAOYSA-N 260.257 -0.407 50 20 CBGD CC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cc(C)n[nH]2)C1 151211726 HQELXWRVUJPKHV-JTQLQIEISA-N 293.327 -0.262 50 20 CBGD CNC(=O)c1cccc(C(=O)NNC(=O)CN(C)C)c1 175945439 YSQAPMLNQFTPIW-UHFFFAOYSA-N 278.312 -0.631 50 20 CBGD CC(Cl)(Cl)C(=O)NNC(=O)C(=O)NC1CC1 183487567 IMXLKLLAOLAICU-UHFFFAOYSA-N 268.100 -0.394 50 20 CBGD COC(=O)N(C)CCCC(=O)NNC(=O)c1cc(C)n[nH]1 269084331 XHVIKTCWEYIDPF-UHFFFAOYSA-N 297.315 -0.042 50 20 CBGD COC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)c1ccc[nH]1 285091336 NZUMKZHLSWGXNE-YUMQZZPRSA-N 265.269 -0.025 50 20 CBGD CN1CCC[C@@H](N(C)C(=O)c2ccc(B(O)O)c(F)c2)C1 584948733 AYAUCDMREXTJOL-LLVKDONJSA-N 294.135 -0.328 50 20 CBGD CCN(CC)[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584953406 CKCXNJITCBGSSX-CQSZACIVSA-N 290.172 -0.077 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC2CC1(CO)C2 585007719 ZHMHGGIEDZOPRK-UHFFFAOYSA-N 279.076 -0.898 50 20 CBGD O=S(=O)(NCB(O)O)c1cc(F)ccc1OC(F)F 585057030 IMAFPKNPHKZRHW-UHFFFAOYSA-N 299.035 -0.283 50 20 CBGD O=C(NCB(O)O)c1cnn(-c2ccc(F)cc2)n1 585060027 KCTBHZUIGAIJMB-UHFFFAOYSA-N 264.025 -0.852 50 20 CBGD CNC(=O)NNC(=O)c1cn(CCC(C)C)nn1 740818144 FIEYVHPBGGTYDR-UHFFFAOYSA-N 254.294 -0.102 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)C2CCC2)C1 746246119 JLSVQAZRJOJQDU-JTQLQIEISA-N 255.318 -0.345 50 20 CBGD C[C@@H](C(=O)NNC(=O)Cc1cn2ccccc2n1)N(C)C 750625655 HNYCPFOXGNQWIY-JTQLQIEISA-N 289.339 -0.026 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@H]1CCn2cncc2C1 750857027 OZCPYZJTYAPUMB-JTQLQIEISA-N 293.327 -0.482 50 20 CBGD CN1CCCC[C@@H]1C(=O)NNC(=O)Cc1cc[nH]n1 755285383 RLEIDHCZBULZMT-SNVBAGLBSA-N 265.317 -0.416 50 20 CBGD COc1cc(NC(=O)NNC(=O)CO)cc(OC)c1 755373345 BFDGTUUWNRZIPE-UHFFFAOYSA-N 269.257 -0.151 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCC1CCC1 758045823 PRUGVGQYCKELHA-QMMMGPOBSA-N 291.373 -0.348 50 20 CBGD CN1CCC(CNC(=S)NNC(=O)N(C)C)CC1 760479218 YHWRXZNBFDYLCS-UHFFFAOYSA-N 273.406 -0.022 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NNC(=O)c1ccnnc1 761210737 NZKUSQJDZWYAJF-SNVBAGLBSA-N 293.327 -0.794 50 20 CBGD CC1(CO)CCN(CC(=O)NNC(=O)C2CC2)CC1 762619623 NEOWUPMSPLFTCN-UHFFFAOYSA-N 269.345 -0.362 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(C)c1C#N 764302315 BRLMUDWXZWAJSZ-UHFFFAOYSA-N 290.279 -0.401 50 20 CBGD NC(=O)NC1(C(=O)NNC(=O)c2ccccc2F)CC1 767189401 LWWWPUCYKCJCPC-UHFFFAOYSA-N 280.259 -0.212 50 20 CBGD C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)C1CCCC1 779500891 ZSQVHIJXGCGWRK-GZMMTYOYSA-N 297.355 -0.400 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccccc1CC#N 794582219 UVTXSCUKLPYBLE-UHFFFAOYSA-N 268.298 -0.125 50 20 CBGD COc1c([N+](=O)[O-])cccc1S(=O)(=O)NNC(C)=O 794865670 QLEZUORLAWIDQO-UHFFFAOYSA-N 289.269 -0.067 50 20 CBGD CO[C@H](C)CS(=O)(=O)NNC(=O)NCC1CC1 800833625 CMHPCKBOMKWZLT-SSDOTTSWSA-N 265.335 -0.435 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)N(C)[C@@H](C)CC#N 800933232 ZHCUXNAOVWSRNX-QMMMGPOBSA-N 277.350 -0.369 50 20 CBGD Cc1nc2ccccn2c1C(=O)NNC(=O)c1ncn(C)n1 809984783 ZIBPJCKXXCTDIH-UHFFFAOYSA-N 299.294 -0.154 50 20 CBGD CN(C)c1ncc(C=NNC(=O)C(C)(C)O)n1C 811648979 WWNKOWNVDWUFJC-UHFFFAOYSA-N 253.306 -0.293 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cnc(N(C)C)nc1 814900696 DOFVEJCVWJEQDE-UHFFFAOYSA-N 280.288 -0.651 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CCn1ccccc1=O 823969957 AHFXJYIBRVAQPC-JTQLQIEISA-N 253.302 -0.418 50 20 CBGD CCN(C)C(=O)CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 826537706 PGWJGKNVODMLOM-DTWKUNHWSA-N 286.332 -0.780 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@@H](CC(N)=O)C1 827267996 LFMHATYNSRBOIV-GUBZILKMSA-N 298.343 -0.651 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)ncn1 843662807 SUQBNNABJFBNPH-IUCAKERBSA-N 264.285 -0.029 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCN(C)[C@@H]1C 843964666 FMITXKVTYFTVJZ-YTWAJWBKSA-N 269.345 -0.101 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1NC(=O)O[C@@H]1C 843970879 MMDIAAZCRYMTMT-YWIQKCBGSA-N 271.273 -0.944 50 20 CBGD CC[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)N(C)C 843980103 RILPCVHFRWVXHX-LPEHRKFASA-N 257.334 -0.101 50 20 CBGD O=C(Cn1nnc2c1CCCC2)NNC(=O)NC1CC1 847390716 KNUHCNWSXQPLIG-UHFFFAOYSA-N 278.316 -0.350 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H](NC(C)=O)C(C)C 854928274 QXKSMYSKFUGXEI-QMMMGPOBSA-N 260.363 -0.386 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1ccncn1 857520803 ONUSRKIAOKOSAT-UHFFFAOYSA-N 253.262 -0.976 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858694838 BGPHMOKIWWLHTR-ZETCQYMHSA-N 299.331 -0.937 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@H](CO)C2CCCC2)N1 858700418 LJLBRHPNWJKXIN-VHSXEESVSA-N 298.343 -0.854 50 20 CBGD COc1cc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)ccn1 861105913 FPIJXIGFBCCPLK-MRVPVSSYSA-N 293.283 -0.479 50 20 CBGD COC/C=C/C(=O)NNC(=O)CNC(=O)c1cccs1 865099419 TUEHZFWRZXSYBS-GORDUTHDSA-N 297.336 -0.172 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@H]1CCCNC1=O 899998356 KKSRZUPVKHEZJH-ZETCQYMHSA-N 272.374 -0.194 50 20 CBGD C[C@H](C(=O)O)[C@@H](C)NCc1cccc(B(O)O)c1 901444745 IWKSQNOUAGVFSH-DTWKUNHWSA-N 251.091 -0.435 50 20 CBGD CC[C@H](C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)N(C)C 908279386 LJZLHOMUGCGAJF-WDEREUQCSA-N 291.417 -0.181 50 20 CBGD COC(=O)c1cnn(CC(=O)NN(C)C[C@@H](C)O)c1 910138898 HHIIONSFAUTEQK-MRVPVSSYSA-N 270.289 -0.987 50 20 CBGD COc1ncc(/C=C\C(=O)NN(C)C[C@H](C)O)cn1 910157908 BHGXMVJBKPRQQQ-WBSSQXGSSA-N 266.301 -0.158 50 20 CBGD COc1ccnc(NNC(=O)Cn2cnc([N+](=O)[O-])n2)n1 918562071 DLVQNBREKYRICR-UHFFFAOYSA-N 294.231 -0.872 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1OCC#N 1116598552 LKAJRZAYNNKHLI-UHFFFAOYSA-N 294.242 -0.166 50 20 CBGD NS(=O)(=O)c1ccc(C(=O)NNc2cccnn2)cc1 1116913038 PQEZPMVCKFMWDK-UHFFFAOYSA-N 293.308 -0.119 50 20 CBGD Cc1cc(=O)c(C(=O)NNC(=O)CN(C)C)c[nH]1 1253040901 GLUASQXKGMBFHJ-UHFFFAOYSA-N 252.274 -0.994 50 20 CBGD COCCCNC(=O)/C(C#N)=C/c1cn(CC(=O)O)nn1 1253190089 JIFIJNVDROWYQO-WEVVVXLNSA-N 293.283 -0.578 50 20 CBGD Cn1cc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H]2CCO)cn1 1255326941 FLDOSVVGDBEYSS-MWLCHTKSSA-N 295.343 -0.085 50 20 CBGD O=C(CN1C(=O)CNC1=O)NNC(=O)NC1CCCCC1 1317702912 JTEYTIWEYFBSDH-UHFFFAOYSA-N 297.315 -0.799 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)CN1C(=O)CNC1=O 1321530541 JETIEGRJQHBHQX-UHFFFAOYSA-N 270.289 -0.878 50 20 CBGD NC(=O)c1ccc(NNC(=O)C[C@H]2CCCC(=O)N2)nn1 1327419413 VEUSQLWCBZGDPB-SSDOTTSWSA-N 292.299 -0.923 50 20 CBGD C[C@@H]1O[C@H](C)C[C@@H]1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1328798693 HBAFCYFKSVHOQP-RGOKHQFPSA-N 298.343 -0.591 50 20 CBGD Cc1cc(=O)c(C(=O)NNC(=O)N2CCN(C)CC2)c[nH]1 1329183625 SAKTYYMKIGERTR-UHFFFAOYSA-N 293.327 -0.715 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccc(OC)nn1 1329334654 PNWDGPRLVSHBRJ-UHFFFAOYSA-N 255.303 -0.434 50 20 CBGD CC(C)c1ncc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)[nH]1 1330107507 DHVGWCLPVNMTOC-ZETCQYMHSA-N 279.300 -0.427 50 20 CBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 1330107603 GNVGNRDVWOTEBA-HRDYMLBCSA-N 269.301 -0.773 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H]1CCc2nnn(C)c2C1 1330110906 RLDJOCIEPAUGGE-MRVPVSSYSA-N 280.332 -0.340 50 20 CBGD CNC(=S)N(C)NC(=O)c1csc(CO)n1 1332144252 WASHTIDNZAXXAX-UHFFFAOYSA-N 260.344 -0.284 50 20 CBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)OC)o1 1342636792 JNWIKLQJEAGRRN-UHFFFAOYSA-N 277.258 -0.812 50 20 CBGD O=C(NNC(=O)C1CCOCC1)c1cccc2ncnn12 1353029948 LDQBKWMOZMUOFC-UHFFFAOYSA-N 289.295 -0.083 50 20 CBGD CNNC(=O)[C@H](CO)NC(=O)OCc1ccccc1 1578741733 WGZTUIWXIPVFAR-JTQLQIEISA-N 267.285 -0.476 50 20 CBGD NCc1cc(C(=O)NNC(=O)CN2CCCC2=O)co1 1580335220 HUBVRBRPOUISBS-UHFFFAOYSA-N 280.284 -0.878 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H](C(=O)O)C(C)(C)C 1588795573 GPZBEOUGBCOGMW-LURJTMIESA-N 260.290 -0.348 50 20 CBGD CC(C)NC(=O)NNC(=O)c1cc(C(=O)O)n[nH]1 1588925042 CQSWVOJPXKVSCR-UHFFFAOYSA-N 255.234 -0.540 50 20 CBGD O=C(O)[C@@]1(NS(=O)(=O)CCCCl)CCOC1 1594883168 JKRAJQCRYMCFRV-MRVPVSSYSA-N 271.722 -0.222 50 20 CBGD Cc1csc(CCCNC(=O)NNC(=O)C(=O)O)n1 1600657414 FTGCNFRPIIIQJW-UHFFFAOYSA-N 286.313 -0.201 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cccc(C(=O)O)n1 1601354618 KSAYJRQWSMOTFY-UHFFFAOYSA-N 289.251 -0.493 50 20 CBGD CC[C@H](C(=O)O)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1604869891 YELFHAMNHMCHSF-IUCAKERBSA-N 292.357 -0.411 50 20 CBGD COC(=O)[C@H]1CC[C@H](C(=O)O)N(S(=O)(=O)CCl)C1 1606396745 QLCBRGYGENTFRQ-NKWVEPMBSA-N 299.732 -0.149 50 20 CBGD COc1ccc(CNC(=O)NNC(=O)C(=O)O)cn1 1607257813 LBICHIVFNLQFIP-UHFFFAOYSA-N 268.229 -0.995 50 20 CBGD CCCC[C@H](NC(N)=O)C(=O)NNC(=O)NC1CC1 49182382 HVPBTOJQGHBFEA-QMMMGPOBSA-N 271.321 -0.294 50 20 CBGD C[C@@H]1CO[C@@H](CO)CN1S(=O)(=O)CBr 127558407 ZRBFEZWYMPVPLV-RNFRBKRXSA-N 288.163 -0.250 50 20 CBGD Cc1cc(C)nc(NNC(=O)N[C@H]2CCN(C)C2=O)n1 130018629 PVCDDJIKFKGLLG-VIFPVBQESA-N 278.316 -0.050 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@@H]2CNCCO2)n1 163326731 VWZYVQGHIGVREX-VIFPVBQESA-N 251.290 -0.475 50 20 CBGD COCCn1ccc(C(=O)NNC(=O)c2ccc[nH]2)n1 188925744 GPWSBZJSAKPDQZ-UHFFFAOYSA-N 277.284 -0.068 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H](O)c1ccccc1 192930198 BGDFWAFVOBDJDW-SECBINFHSA-N 252.270 -0.362 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2CCCN2)n1 237305125 FMSVREANGPIHSA-QMMMGPOBSA-N 251.290 -0.011 50 20 CBGD CSCCCNC(=O)NNC(=O)C(=O)N1CCCC1 265529477 BUUIOERMHLUFOW-UHFFFAOYSA-N 288.373 -0.308 50 20 CBGD C[C@@H](NC(=O)C1CCCC1)C(=O)NN(C)C(N)=O 272151742 GGBJVTOYMYLKDL-SSDOTTSWSA-N 256.306 -0.277 50 20 CBGD COC(=O)C1(C(=O)NNC(=O)c2ccccn2)CC1 274362029 ZVBIEVHEGJIWJB-UHFFFAOYSA-N 263.253 -0.204 50 20 CBGD CN(C)C(=O)NNC(=O)CNC(=O)c1cccc(O)c1 275315268 NWHHKLRXKMJEHM-UHFFFAOYSA-N 280.284 -0.576 50 20 CBGD CNC(=O)NNC(=O)CNC(=O)OCC(F)(F)F 491320511 RFNAYLZSGPVFLO-UHFFFAOYSA-N 272.183 -0.765 50 20 CBGD CCN(C[C@@H](C)C#N)C(=O)c1cccc(B(O)O)c1 584930964 VLSVOOIKTGJTSX-JTQLQIEISA-N 260.102 -0.012 50 20 CBGD O=C(N[C@H](CCO)C1CC1)c1ccc(B(O)O)c(F)c1 584963388 SSZNOKIPDPCIDZ-GFCCVEGCSA-N 281.092 -0.604 50 20 CBGD COCCC1(C)CN(C(=O)c2ccc(B(O)O)cc2)C1 584993705 TYDVZZNASJGHPR-UHFFFAOYSA-N 277.129 -0.135 50 20 CBGD COCC1(N(C)C(=O)c2ccc(B(O)O)c(F)c2)CC1 585007351 XDFMPNWKJZRWBE-UHFFFAOYSA-N 281.092 -0.244 50 20 CBGD C[C@H](CO[C@H]1CCOC1)NCc1ccc(B(O)O)o1 585030820 JKLUNQMYSMLCTL-KOLCDFICSA-N 269.106 -0.757 50 20 CBGD CCC(=O)N1CC[C@@H](NCc2ccc(B(O)O)cc2)C1 585031742 YBEVRKBNIYDVKB-CYBMUJFWSA-N 276.145 -0.533 50 20 CBGD COC[C@H](OC)c1nc(-c2cccc(B(O)O)c2)no1 585051744 DAVZBPPDKVHXHL-JTQLQIEISA-N 278.073 -0.250 50 20 CBGD O=S(=O)(c1cccc2c1OCC2)N1CC[C@@H](B(O)O)C1 585056476 PEGRGWKGPNQDLY-SNVBAGLBSA-N 297.141 -0.141 50 20 CBGD O=S(=O)(Cc1cccc(F)c1F)NCB(O)O 585057234 PZZCPXMMTYODSZ-UHFFFAOYSA-N 265.046 -0.604 50 20 CBGD O=S(=O)(c1cccc2nonc12)N1CC[C@@H](B(O)O)C1 585057786 KLGVUONVHPLEPR-SSDOTTSWSA-N 297.101 -0.540 50 20 CBGD COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NCB(O)O)c1 585063437 ZDYICBZMOVMHCP-MWLCHTKSSA-N 279.101 -0.065 50 20 CBGD Cc1ncccc1C=NNC(=O)[C@H](C)NS(C)(=O)=O 728780880 DSQGRBIIBGNWOU-VIFPVBQESA-N 284.341 -0.222 50 20 CBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@H]2CCOC2)C[C@@H](C)O1 732264197 QYZCOZVKAMFNSG-TUAOUCFPSA-N 299.371 -0.330 50 20 CBGD C[C@H]1OCCC1=NNC(=O)CSc1nnc(O)nc1O 747751556 MGVOCFIPKDNXFI-RXMQYKEDSA-N 299.312 -0.344 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H](C)N2C(=O)CCC2=O)o1 752777634 OVDPOPDYSXZQOO-MRVPVSSYSA-N 293.279 -0.113 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1cccnc1C#N 758157309 CCMKLONYNOVYRA-UHFFFAOYSA-N 283.313 -0.192 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCNC(=O)C[C@H]1C 761058239 WFYQRHDGCHBXLV-GHMZBOCLSA-N 298.387 -0.221 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 768245607 CSSFBULIBGZBBH-MRVPVSSYSA-N 285.344 -0.448 50 20 CBGD C[C@H](NC(=O)NNC(=O)C1CCC1)[C@@H]1CN(C)CCO1 770116278 FFRFOBKHZKUMQZ-ONGXEEELSA-N 284.360 -0.164 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCN(C)C(=O)C1 771976033 VIVAXGRONIXUFI-BDAKNGLRSA-N 299.327 -0.656 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc[nH]n1 771999934 JWDNCSFGBZQHJK-LURJTMIESA-N 254.246 -0.488 50 20 CBGD C=CCS(=O)(=O)CCNC(=O)NNC(=O)C(C)C 783012303 UNBUJMJQQRGHBV-UHFFFAOYSA-N 277.346 -0.426 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)cn1 787003358 IKPDXNWMGVYYEX-DTWKUNHWSA-N 293.327 -0.527 50 20 CBGD CC(C)(C)n1cc(C(=O)NNC(=O)N2CCOCC2)nn1 790535222 YZHIOVFQFHNYEY-UHFFFAOYSA-N 296.331 -0.280 50 20 CBGD CCOCC(=O)NNC(=O)Nc1ccc(C(=O)OC)nn1 799232201 AWIZNBANKRROIU-UHFFFAOYSA-N 297.271 -0.548 50 20 CBGD CC(=O)OC(C)(C)C(=O)NNC(=O)N=c1cc[nH]cc1 802029684 PUFVATLLWIZRNM-UHFFFAOYSA-N 280.284 -0.002 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[S@](=O)CC 803476806 LPGCGXSHNRNAGV-LWESTGQBSA-N 278.330 -0.756 50 20 CBGD CC(C)Oc1ncccc1C(=O)NNC(=O)CO 807195663 KGOKWVLISIUKCF-UHFFFAOYSA-N 253.258 -0.378 50 20 CBGD Cc1cccnc1C(=O)NNC(=O)N1CCN(C)CC1 807380668 LXWRKELCYNICOJ-UHFFFAOYSA-N 277.328 -0.008 50 20 CBGD COC(=O)C[C@H](C)C(=O)NNC(=O)N1CCN(C)CC1 807383353 VSTXSVLGRXZTTG-VIFPVBQESA-N 286.332 -0.826 50 20 CBGD C=CCNC(=S)NNC(=O)c1ncc(OC)cn1 814718415 WBMMPDZRJCEVHR-UHFFFAOYSA-N 267.314 -0.220 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)C[C@@H](CC)OC 817138625 PGXGCJIIEPKXNW-MRVPVSSYSA-N 267.351 -0.093 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@@H](C)n1cccn1 819028504 HZYMHUYWJLQZCZ-SECBINFHSA-N 281.316 -0.494 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H]1CCCN1C 825947498 LUZVQUULAOVPCW-HBNTYKKESA-N 284.360 -0.164 50 20 CBGD C[C@@]1(C(=O)O)CCN(CC(=O)NNC(=O)C2CC2)C1 828024299 MRNXPALKMCRJJF-GFCCVEGCSA-N 269.301 -0.660 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1 830596432 MLDVDUHMLABWRD-RKDXNWHRSA-N 271.317 -0.414 50 20 CBGD COC[C@@H](OC)C(=O)NNc1cc(Cl)nc(N)n1 831987411 BRUQHWLSFVHQGW-RXMQYKEDSA-N 275.696 -0.183 50 20 CBGD CC(C)N1CC[C@H](N(C)CC(=O)NNC(=O)C2CC2)C1 832777871 DAQRYLHVZFCIHO-LBPRGKRZSA-N 282.388 -0.042 50 20 CBGD C[C@@H]1CC(=NNC(=O)NCC(=O)O)CN1C1CC1 833586573 GOBMNVCYDDMEQR-SSDOTTSWSA-N 254.290 -0.017 50 20 CBGD CON1CCC(=NNC(=O)C(=O)N2CCCC2)CC1 834950317 KUEHSJSQPPDOLU-UHFFFAOYSA-N 268.317 -0.262 50 20 CBGD CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843646905 ROFRCUWOYRMIAL-QCLAVDOMSA-N 256.302 -0.016 50 20 CBGD CC(C)(C#N)CCS(=O)(=O)NNC(=O)c1cc[nH]n1 849310576 FSLNAMNBVJHUSK-UHFFFAOYSA-N 285.329 -0.086 50 20 CBGD CC(=O)NNC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C 854154674 FDZFLTWIGUXDST-SECBINFHSA-N 277.346 -0.740 50 20 CBGD O=C(NNC(=O)[C@H]1CC12CCOCC2)c1cc[nH]n1 855358057 ZQFDFXZYUAXKFL-MRVPVSSYSA-N 264.285 -0.013 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=O)OCC(F)(F)F 856026747 KIRREQGHZDJTQH-SCSAIBSYSA-N 271.195 -0.169 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NOC/C=C/Cl)N1 858476692 NLIXOYBHRLNHIS-HBAKDTRXSA-N 276.680 -0.721 50 20 CBGD C[C@H](C(=O)NNC(=O)NCC(F)(F)F)[C@H]1CCC(=O)N1 861514559 GANUWZMURMKEJT-NTSWFWBYSA-N 296.249 -0.206 50 20 CBGD O=C(COc1ccccc1)NNC(=O)[C@@H]1CCC(=O)N1 862449004 KJQDMCZNUNMCSJ-JTQLQIEISA-N 277.280 -0.509 50 20 CBGD C=CCCO[C@@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862454236 SIGDRNWXPZWYKI-DTWKUNHWSA-N 269.301 -0.606 50 20 CBGD O=C1O[C@@H](C(=O)N2CC[C@@H](B(O)O)C2)Cc2ccccc21 864231342 LUEKQZSAIQASDM-ZYHUDNBSSA-N 289.096 -0.157 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CC1(Cl)Cl 869911619 APDAEWUEIGCRSD-LURJTMIESA-N 285.127 -0.009 50 20 CBGD CC1=C(C(=O)NN(C)C[C@H](C)O)[C@H](C)n2ncnc2N1C 910151512 BNRBGEOWIFNCCT-WPRPVWTQSA-N 294.359 -0.093 50 20 CBGD CNC(=O)CCCNC(=O)NNc1nccc(OC)n1 918235673 QYVMVNQWSVMGBN-UHFFFAOYSA-N 282.304 -0.363 50 20 CBGD CCCCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 920855945 QMNDYUPRRBLYRB-MRVPVSSYSA-N 256.306 -0.214 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC1(N(C)C)CC1 922986702 JQOWQMOWQRKFMC-VHSXEESVSA-N 284.360 -0.164 50 20 CBGD O=C(CCl)NC[C@H]1CCC[C@@]12NC(=O)NC2=O 1116438079 BDVMCIKNBBCPJC-LHLIQPBNSA-N 259.693 -0.280 50 20 CBGD Cc1cnc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 1118860316 MFNLYTXZNSCCHU-SSDOTTSWSA-N 297.340 -0.439 50 20 CBGD CC(C)(C)n1nnc(CC(=O)N2CC[C@H](B(O)O)C2)n1 1118975358 MSTJSLKQCIGEFD-QMMMGPOBSA-N 281.125 -0.954 50 20 CBGD COC(=O)C1(C(=O)NNC(=S)NC(C)C)CC1 1323986731 YTLROHJZZZCRFW-UHFFFAOYSA-N 259.331 -0.157 50 20 CBGD C[C@H](NC(=O)C(C)(C)C)C(=O)NNc1cnnn1C 1324333357 HDRIVJZVQRRDMW-ZETCQYMHSA-N 268.321 -0.191 50 20 CBGD C[C@H](C(=O)NNC(=O)Cc1cccnc1)[C@@H]1CCC(=O)N1 1329223311 OCWCDRAGIIYJOB-ONGXEEELSA-N 290.323 -0.314 50 20 CBGD Cn1cnc(C(=O)NNC(=O)Cc2cccnc2)n1 1330087621 PDWROPJKJQHUHD-UHFFFAOYSA-N 260.257 -0.786 50 20 CBGD C[C@H](C(=O)NNc1ncncc1F)S(C)(=O)=O 1330460322 ZOJRANDCXWESCM-RXMQYKEDSA-N 262.266 -0.508 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCC[C@@H]2CCOC2)N1 1331314460 IQWVOBOHPYLZFP-ZJUUUORDSA-N 298.343 -0.588 50 20 CBGD Cc1nnc(NNC(=O)COCc2ccccn2)nc1O 1331962963 AQAMOILBWICUGT-UHFFFAOYSA-N 290.283 -0.059 50 20 CBGD CCCOc1ccc(C(=O)NNC(=O)C(N)=O)cc1OC 1332332219 JILNFZWGNMYLQP-UHFFFAOYSA-N 295.295 -0.270 50 20 CBGD CCOCC(=O)NNC(=O)NCCCn1cncn1 1332903186 VBMUKWZSZMTGSO-UHFFFAOYSA-N 270.293 -0.965 50 20 CBGD C[C@H](C(=O)NNc1ncc(F)cn1)S(C)(=O)=O 1341257295 MQWVIRKTQWIBNU-RXMQYKEDSA-N 262.266 -0.508 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](S(C)(=O)=O)C1 1344611886 RVHDONMJONTLQD-BDAKNGLRSA-N 291.373 -0.949 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C1(N(C)C)CC1 1347548474 NSDNYSHJDPSRRC-UHFFFAOYSA-N 284.360 -0.467 50 20 CBGD Cc1cc(=O)c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c[nH]1 1349454589 AJONVRSEGCWMME-RKDXNWHRSA-N 279.296 -0.131 50 20 CBGD CCc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)nn1C 1351627861 KKVYAIIFQYHPAE-QMMMGPOBSA-N 279.300 -0.978 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1noc2c1COCC2 1354052013 QBWXPUYYKLTLAI-ZETCQYMHSA-N 255.274 -0.295 50 20 CBGD CCO/C=C(\C#N)C(=O)n1ncc(-c2nn[nH]n2)c1N 1578341003 JQASCGRSIXWIOQ-AATRIKPKSA-N 274.244 -0.270 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@H]1NCCc2occc21 1580735667 BWAKCLQKYSHNAM-NSHDSACASA-N 294.311 -0.461 50 20 CBGD O=C(NNC(=O)[C@H]1CCN1)c1coc2c1C(=O)CCC2 1580735973 JVDMOONIEKMDAG-MRVPVSSYSA-N 277.280 -0.079 50 20 CBGD CC(C)(C(=O)O)C(=O)NNC(=O)[C@]1(C)CCCO1 1589181157 GKOOEKHRYXGHSU-NSHDSACASA-N 258.274 -0.186 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1CC(C(=O)O)=NO1 1594159581 SCLZVQFMTJDQEZ-LURJTMIESA-N 281.228 -0.842 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@H]1CC(C(=O)O)=NO1 1594711501 XYMNYSWWDBWOCH-SECBINFHSA-N 292.251 -0.999 50 20 CBGD COC(=O)NCC(=O)NNC(=O)c1ccccn1 48888781 GABMZETWAXNCRI-UHFFFAOYSA-N 252.230 -0.801 50 20 CBGD Cc1ccc(C)c(OCC(=O)NNC(=O)CO)c1 136078873 PVXZSAGMFJSGHG-UHFFFAOYSA-N 252.270 -0.178 50 20 CBGD CCS(=O)(=O)CCNS(=O)(=O)CBr 227978839 VHFULZYZMHMMRK-UHFFFAOYSA-N 294.192 -0.307 50 20 CBGD O=S(=O)(CCCCl)N1CC[C@@H](O)[C@@H](CO)C1 396885428 GUSFQKDVQGKWNS-RKDXNWHRSA-N 271.766 -0.380 50 20 CBGD C[C@H](C(=O)Nc1cccc(B(O)O)c1)N1CCOCC1 584909198 ARIMOBOEOHEPRU-SNVBAGLBSA-N 278.117 -0.974 50 20 CBGD C[C@@H]1CCCN(CCNC(=O)c2cccc(B(O)O)c2)C1 584929687 NWSYZJWBHRSVJR-GFCCVEGCSA-N 290.172 -0.172 50 20 CBGD C[C@H]1CN(C)C[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584959111 XNBQVVOGXREAHK-UFBFGSQYSA-N 280.108 -0.815 50 20 CBGD CNC(=O)C(C)(C)CNC(=O)c1cc(B(O)O)ccc1F 584964674 KBBMZQMRSARJEA-UHFFFAOYSA-N 296.107 -0.993 50 20 CBGD C[C@]1(O)CCCN(C(=O)c2ccc(B(O)O)cc2)CC1 584985744 PXSGULFFQRPKNF-AWEZNQCLSA-N 277.129 -0.257 50 20 CBGD CC(C)N1CCN(C(=O)c2cccc(B(O)O)c2)CC1=O 584992765 NQHSNYAXBOTMIW-UHFFFAOYSA-N 290.128 -0.941 50 20 CBGD CN1CCC[C@@H](CNCc2ccc(B(O)O)o2)C1 585024491 WYPOIRBLEMTSJI-JTQLQIEISA-N 252.123 -0.609 50 20 CBGD Cc1cc(CCNCc2ccc(B(O)O)cc2)on1 585040067 DYTOXUKMKKKLPF-UHFFFAOYSA-N 260.102 -0.005 50 20 CBGD N#CC1(c2nc(-c3ccc(B(O)O)cc3)no2)CCOCC1 585053339 DTCCDMXLXNJDEO-UHFFFAOYSA-N 299.095 -0.012 50 20 CBGD CN(C)c1nccc(NNC(=O)CNC(=O)O)n1 737383361 CQBTURPFTSIALY-UHFFFAOYSA-N 254.250 -0.747 50 20 CBGD Cc1nnc(NNC(=O)[C@@H]2C[C@H]2C(=O)O)nc1O 738932633 VNQHVJYRXHABCV-RFZPGFLSSA-N 253.218 -0.951 50 20 CBGD COCC(=O)NNC(=O)C(=O)N1CCc2cccc(C)c21 764295666 OUYNBHAUFJMLID-UHFFFAOYSA-N 291.307 -0.322 50 20 CBGD CC(C)(C)[C@@H](O)C(=O)NNC(=O)CNC(=O)c1ccco1 764951576 SMJMPIIVHXZTHV-JTQLQIEISA-N 297.311 -0.436 50 20 CBGD COc1cccc(NNC(=O)Cn2ccc(O)nc2=O)n1 780772180 BFAOZQHWDWYZEB-UHFFFAOYSA-N 291.267 -0.504 50 20 CBGD O=C(CN1C[C@H]2C[C@@]2(CO)C1)NNC(=O)c1cccs1 782635524 VLCOZFKEVPYGSU-RNCFNFMXSA-N 295.364 -0.177 50 20 CBGD O=C(CCn1ccnn1)NNC(=O)NCC(F)(F)F 798313222 CXXVRJSNRANYNY-UHFFFAOYSA-N 280.210 -0.439 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C1CCCC1)C(=O)NCCF 799982198 WQPVFUMNAVORPH-MRVPVSSYSA-N 288.323 -0.019 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCc2ccccc2O)nn1 808392301 ZITFHDUPXHTGGF-UHFFFAOYSA-N 289.295 -0.086 50 20 CBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)c1ccc[nH]1 816824022 NFKFHMXQYPJTCP-NKWVEPMBSA-N 250.258 -0.713 50 20 CBGD COC(=O)NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 821665193 ZINDSLWBHFEAJI-UHFFFAOYSA-N 251.206 -0.804 50 20 CBGD CNCC(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1 829287340 QYXUNIXAGZRHFF-UHFFFAOYSA-N 293.331 -0.051 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cnnn1C 831773894 BXMIYVPHBKEXAO-NKWVEPMBSA-N 268.277 -0.607 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)NCCN)cc1C 841920089 FAWUBMVPXFZKKK-UHFFFAOYSA-N 280.328 -0.029 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)N1CCC[C@@H]1C 842589621 KQFQESDGIBIYPS-GUBZILKMSA-N 291.373 -0.239 50 20 CBGD CN1C[C@@H](N(C)CC(=O)NNC(=O)C2CC2)CCC1=O 846921290 ROYUVHVNNUJXOI-JTQLQIEISA-N 282.344 -0.904 50 20 CBGD CCC[C@H](C(=O)NN(C)C(=O)OC)S(N)(=O)=O 854408904 CDFZHXMCUAQCTI-ZCFIWIBFSA-N 267.307 -0.827 50 20 CBGD COc1ccc(CCC(=O)NNC(=O)[C@H]2CC(=O)N2)cc1 854511399 TXLCIYXOVRHBAW-LLVKDONJSA-N 291.307 -0.336 50 20 CBGD CO[C@@H]1CCCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858698431 ZSEITGZXNVGJTJ-RKDXNWHRSA-N 284.316 -0.883 50 20 CBGD O=C(NNc1nc2ccccn2n1)N[C@@H]1CCNC1 861707835 IAJRPEOUBCQEKV-MRVPVSSYSA-N 261.289 -0.283 50 20 CBGD CCc1cncc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862459329 QXEAGKIHIGTYNF-JTQLQIEISA-N 276.296 -0.316 50 20 CBGD Cc1sc(=O)n(CC(=O)NNC(=O)c2cn[nH]c2)c1C 862474961 UPCNJPYEIQKNOF-UHFFFAOYSA-N 295.324 -0.289 50 20 CBGD CCC(=NNC(=O)[C@@H]1CCC(=O)N1)c1nccn1C 863147820 MQLJLCSHQIJVGO-VIFPVBQESA-N 263.301 -0.071 50 20 CBGD COC(=O)C[C@@H]1CCCN1C(=O)c1cccc(B(O)O)c1 863875862 HAQYTLVYOGUOBG-LBPRGKRZSA-N 291.112 -0.466 50 20 CBGD COCCOCC(=O)NNC(=O)c1cncs1 869905384 BXRMYKLTLLDNLJ-UHFFFAOYSA-N 259.287 -0.433 50 20 CBGD CN(C)CC1(C(=O)NNC(=O)C2CCOCC2)CC1 883069951 BMQPEVCHLDHBBS-UHFFFAOYSA-N 269.345 -0.098 50 20 CBGD C#CCCCC(=O)NNC(=O)C(C)(C)S(C)(=O)=O 887144649 VMWRHNJDEHACTQ-UHFFFAOYSA-N 274.342 -0.240 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CCSC1 913731653 QMLLSMRQXIJXMH-MRVPVSSYSA-N 271.342 -0.491 50 20 CBGD CC(C)n1nccc1C(=O)NNC(=O)CN1CCCC1=O 913731674 RDSAPFLGPPPICG-UHFFFAOYSA-N 293.327 -0.153 50 20 CBGD CC[C@H](SC)C(=O)NNC(=O)CN1CCCC1=O 913731755 VEPIWWURGFTFNA-QMMMGPOBSA-N 273.358 -0.102 50 20 CBGD COC(=O)CCCNC(=O)NNC(=O)c1ccc[nH]1 915894134 DZUYOVXUXLWZIH-UHFFFAOYSA-N 268.273 -0.088 50 20 CBGD CC(C)C(=O)NN=Cc1nc2c(c(O)nc(=O)n2C)n1C 920367459 DMLMCQOOEANPTH-UHFFFAOYSA-N 292.299 -0.521 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1cn(C)cn1 1116717778 IEMMKWSDIFKXBQ-UHFFFAOYSA-N 261.307 -0.725 50 20 CBGD C=CC[C@H](NCc1cccc(B(O)O)c1)C(=O)OCC 1118968594 UASCQYTYQNOCLA-ZDUSSCGKSA-N 277.129 -0.036 50 20 CBGD Cc1nn(C)c(C)c1C(=O)C(=O)NN(C)C[C@H](C)O 1262178385 ZWCANDNHVKEMAP-ZETCQYMHSA-N 268.317 -0.437 50 20 CBGD O=C(NNC(=O)c1n[nH]c2c1CCC2)C(=O)N1CCCC1 1318119933 WZUDXHHGSUEARU-UHFFFAOYSA-N 291.311 -0.718 50 20 CBGD COC(=O)NNC(=O)CCc1c(C)ncnc1O 1320382966 AWHAQUVWWJAKDO-UHFFFAOYSA-N 254.246 -0.190 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cncc(O)c1 1321962013 ZKCWFXMOACAQJE-UHFFFAOYSA-N 266.257 -0.927 50 20 CBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cnn(C)c2)CCN1C 1322211910 YLNKALPQKOSUJQ-MWLCHTKSSA-N 294.359 -0.153 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)Nc1ccccn1 1323351037 XUKNQYAZRGHKKW-RKDXNWHRSA-N 292.295 -0.408 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)CCc1cccn1C 1323457424 YKYYSMXDWQYIPR-VIFPVBQESA-N 296.327 -0.150 50 20 CBGD C#C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)[C@H]1CCCO1 1329240194 QRKLJEHXTUTZDH-WHOHXGKFSA-N 295.339 -0.077 50 20 CBGD COC[C@H](O)CNC(=O)NNC(=O)c1cccc(F)n1 1330582304 WLVKFDPRAOKCHP-SSDOTTSWSA-N 286.263 -0.828 50 20 CBGD COC(=O)N(C)NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 1330699642 ZKCIPHSJUYNGTJ-SECBINFHSA-N 296.331 -0.089 50 20 CBGD Cn1ccnc(NNC(=O)CC2OCCCO2)c1=O 1340016734 OYMFUAHQZWHBBH-UHFFFAOYSA-N 268.273 -0.624 50 20 CBGD Cc1c(C(F)(F)F)n[nH]c1C(=O)NNC(=O)[C@H]1CCN1 1579528707 QOKXFFVOPONJBB-RXMQYKEDSA-N 291.233 -0.140 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cnccc1-c1nn[nH]n1 1589999645 ABIRDRWMEKMUGY-ZETCQYMHSA-N 277.288 -0.781 50 20 CBGD N#CSCCCNS(=O)(=O)N1CCC[C@H]1C(=O)O 1594610695 BURVGPCHOCQBFW-QMMMGPOBSA-N 293.370 -0.026 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCOC2(CCCC2)C1 1601552616 BBZDDCSUMMHHBR-MRVPVSSYSA-N 285.300 -0.107 50 20 CBGD O=C(O)C(=O)NN=Cc1ccc2c(c1)OCCO2 1610714424 RFCWFUVUEXXTBD-UHFFFAOYSA-N 250.210 -0.008 50 20 CBGD C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CC=C(C#N)CC1 1647132561 KNYOCJCFGCIUPN-ZYHUDNBSSA-N 297.380 -0.166 50 20 CBGD CN1CC[C@@H](NC(=O)NNC(=O)CC(C)(C)C)C1=O 172404956 YLZADLLEACTNPK-MRVPVSSYSA-N 270.333 -0.016 50 20 CBGD CN1CC[C@H](NC(=O)NNC(=O)CC(C)(C)C)C1=O 172404959 YLZADLLEACTNPK-QMMMGPOBSA-N 270.333 -0.016 50 20 CBGD CN(CC(=O)NN(C)C(N)=O)C(=O)c1cccs1 181068393 JCJMRTXDXIMGIM-UHFFFAOYSA-N 270.314 -0.138 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)C1=CCCCO1 186120450 ZHKRJNVLYALQBD-UHFFFAOYSA-N 250.258 -0.206 50 20 CBGD O=C(NNC(=O)[C@H]1CCCS1)C(=O)N1CCCC1 266534502 KNFAIACOOWJOTM-MRVPVSSYSA-N 271.342 -0.348 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2CC(=O)N(C)C2)n1 266937109 OWWRGMPUPGPSDE-QMMMGPOBSA-N 279.300 -0.285 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCCCS1 272926960 GRUDZQAHCOESQC-MRVPVSSYSA-N 273.358 -0.056 50 20 CBGD CC(C)(C)[C@H](Br)C(=O)NC(C(N)=O)C(N)=O 274357845 YPUJDEBUBNIIQO-RXMQYKEDSA-N 294.149 -0.749 50 20 CBGD CCN(C)C(=O)[C@H](C)NC(=O)NNC(=O)C1CCC1 276891333 LIJBRSNJXVLJCN-QMMMGPOBSA-N 270.333 -0.016 50 20 CBGD CN(C)CC(=O)NNC(=O)C[C@@H]1COc2ccccc2O1 295281667 PKTPRRNKOCFOGH-SNVBAGLBSA-N 293.323 -0.075 50 20 CBGD CC(=O)NNC(=O)c1cc(N2CCOCC2)ccn1 299284333 DTFVWQRFLNCYQP-UHFFFAOYSA-N 264.285 -0.301 50 20 CBGD COC(=O)Nc1cccc(C(=O)NNC(=O)CO)c1 494541100 XBHDGTCDURLFFR-UHFFFAOYSA-N 267.241 -0.382 50 20 CBGD COC(=O)N(C)NC(=O)c1cnc(N(C)C)cn1 495824039 RVTKYUQOKWIHRX-UHFFFAOYSA-N 253.262 -0.114 50 20 CBGD CCN(C(=O)c1cccc(B(O)O)c1)[C@@H](C)COC 584931801 ACEYVDHHHZRUBR-JTQLQIEISA-N 265.118 -0.137 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@H]1N(C)C 584956349 WFBCBUAAYGQVTC-NOZJJQNGSA-N 294.135 -0.472 50 20 CBGD CN(C(=O)c1ccc(B(O)O)cc1)[C@H]1CCSC1 584966973 NXAXWOCRYPEFIW-NSHDSACASA-N 265.143 -0.056 50 20 CBGD CC[C@@H](CNC(=O)c1ccc(B(O)O)cc1)OC 584990990 QEKMEAHVVBOHDM-NSHDSACASA-N 251.091 -0.479 50 20 CBGD CCNC(=O)[C@@H](NC(=O)c1cccc(B(O)O)c1)C(C)C 584991605 DEQRELYQQOJJLG-LBPRGKRZSA-N 292.144 -0.743 50 20 CBGD C[C@H](CCO)CCNC(=O)c1ccc(B(O)O)c(F)c1 584994792 OBOWYZMFISVTIG-VIFPVBQESA-N 283.108 -0.356 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 584997536 HKGNJJFMUFTSMN-AAVRWANBSA-N 285.108 -0.608 50 20 CBGD CC[C@@](C)(CNC(=O)c1ccc(B(O)O)cc1)OC 585000717 ZQVNGBXPINWVDW-ZDUSSCGKSA-N 265.118 -0.089 50 20 CBGD O=C(NC[C@@H](CO)CC1CC1)c1cc(B(O)O)ccc1F 585006610 XSNCYBDSKXMWPZ-JTQLQIEISA-N 295.119 -0.356 50 20 CBGD C[C@@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)CC[C@@H]1O 585007320 WRPBTMHNXRTJKG-WQAKAFBOSA-N 277.129 -0.354 50 20 CBGD Cc1nnc(CN(C)C(=O)c2cccc(B(O)O)c2)s1 585007548 BSHNTWDYYFPVPD-UHFFFAOYSA-N 291.141 -0.201 50 20 CBGD C[C@H](CNCc1ccccc1B(O)O)N(C)C1CC1 585024395 VVLVOLDIXKBOFA-LLVKDONJSA-N 262.162 -0.061 50 20 CBGD CC1(C)COCCN1CCNCc1ccc(B(O)O)cc1 585032536 IJQTWAYHRTXGHY-UHFFFAOYSA-N 292.188 -0.433 50 20 CBGD CCOC1CC(O)(CNCc2ccc(B(O)O)cc2F)C1 585039623 XVZNFLGKUFJQRL-UHFFFAOYSA-N 297.135 -0.475 50 20 CBGD C=CCC[C@H](CO)NCc1ccc(B(O)O)cc1F 585044374 HGHBKOLSGFSMER-GFCCVEGCSA-N 267.109 -0.078 50 20 CBGD CCn1cc(CNCc2cccc(B(O)O)c2)nn1 585047755 UQKSIHGQIBVUKC-UHFFFAOYSA-N 260.106 -0.732 50 20 CBGD COc1ccc(-n2nc(C(=O)NCB(O)O)cc2C)cc1 585063373 XRJALYBPORPADD-UHFFFAOYSA-N 289.100 -0.069 50 20 CBGD CCOCC(=O)NNC(=S)NC[C@@H]1CCOC1 749701912 FOMGHGNPXOIZRW-QMMMGPOBSA-N 261.347 -0.445 50 20 CBGD Cc1ccc(C(=O)NNC(=O)Cn2ccc(O)nc2=O)o1 752524613 HEKMOWSNNXGTMM-UHFFFAOYSA-N 292.251 -0.688 50 20 CBGD COCCCOc1ccc(C(=O)NNC(=O)CO)cn1 753452024 LRLUELHTDAUQMT-UHFFFAOYSA-N 283.284 -0.750 50 20 CBGD C[C@H]1COCCN(CC(=O)NNC(=O)C2CC2)C1 754381908 PAQNLTUKDLKRPF-SECBINFHSA-N 255.318 -0.488 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C1CC1 758045021 BACYNIAXHFETJX-NKWVEPMBSA-N 277.346 -0.882 50 20 CBGD COC(=O)c1ccc(NNC(=O)CCn2cncn2)nc1 759738773 QALQTTSQAQXEHO-UHFFFAOYSA-N 290.283 -0.007 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cnc(Cl)c(F)c1 761949373 IMLJODCZSDMLEQ-UHFFFAOYSA-N 282.684 -0.004 50 20 CBGD COC(=O)c1ccc(C)c(NC(=O)C(=O)NNC(C)=O)c1 763518791 YTHMPQDWUBVYQI-UHFFFAOYSA-N 293.279 -0.113 50 20 CBGD O=C(NNC(=O)[C@@H]1COCCN1CC(F)(F)F)C1CC1 773706590 IJJCKKLGCUBJCX-QMMMGPOBSA-N 295.261 -0.193 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](O)[C@H](C)C1 778258736 PYHTWWBEGLWUTJ-UTLUCORTSA-N 257.334 -0.365 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H](C)CN1CCOCC1 783661543 QFDNGCQYKSLWLP-JTQLQIEISA-N 272.349 -0.353 50 20 CBGD N#C[C@]1(F)CCN(CC(=O)NNC(=O)C2CC2)C1 786435807 ILSOVHPPQVREPX-LLVKDONJSA-N 254.265 -0.519 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cccc(CC#N)c1 794580801 FBUYMXLCUCDNMO-UHFFFAOYSA-N 268.298 -0.125 50 20 CBGD CN1CCN(C(=O)NNC(=O)C[C@@H]2CCCOC2)CC1 807380021 MSPYYLUAJBTCDH-NSHDSACASA-N 284.360 -0.209 50 20 CBGD C[C@@H](C(=O)NNC(=O)CC1CC1)N1C(=O)CCC1=O 819136016 JIOYVYBLFFHEQS-ZETCQYMHSA-N 267.285 -0.529 50 20 CBGD O=C(NNC(=O)N1CCO[C@H](C(=O)O)C1)c1ccccc1 819195090 ZSWTZLDEBAGHTJ-JTQLQIEISA-N 293.279 -0.174 50 20 CBGD CN(NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C1CC1 819641606 ZIQQYGFXNHVPHX-RBJBARPLSA-N 289.335 -0.081 50 20 CBGD CC(=O)N[C@](C)(C(=O)NN(C)C[C@H](C)O)C(C)C 822557451 LSPVYIUFKOQUTD-CABZTGNLSA-N 259.350 -0.119 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1C 823474407 IVGNVFAGCVIHNH-DJLDLDEBSA-N 269.301 -0.820 50 20 CBGD CCN(CCO)NC(=O)CN(C)C(=O)[C@H](C)n1cccn1 823853044 XZFQFKFFHWRUJW-NSHDSACASA-N 297.359 -0.752 50 20 CBGD O=C(O)NNS(=O)(=O)c1cc(C(=O)O)cs1 832748946 XFVDSPWNOPWLTJ-UHFFFAOYSA-N 266.256 -0.093 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@H]2NC(=O)O[C@H]2C)nc1 841410540 DYYRUOJYWAKCHM-RCOVLWMOSA-N 294.267 -0.192 50 20 CBGD CO[C@H](C)CS(=O)(=O)NNC(=O)[C@H]1CCO[C@@H]1C 842589783 LCZNNAJHDGFJAK-HLTSFMKQSA-N 280.346 -0.603 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2nn[nH]c2n1 843972223 UGWVJSFLXIQRBG-BQBZGAKWSA-N 290.283 -0.461 50 20 CBGD N[C@@H](CNS(=O)(=O)CBr)C1CC1 850587225 SRUFWCUEMICZJF-LURJTMIESA-N 257.153 -0.005 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H]1CCN2CCCC[C@H]12 858190806 NWTQWCJXOHBBEW-WDEREUQCSA-N 292.343 -0.020 50 20 CBGD CC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 862450207 PAZLBQQGQFWLIS-ZETCQYMHSA-N 295.320 -0.010 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cncc(F)c2)N1 862456236 NNKRJOUCAKNEBF-QMMMGPOBSA-N 266.232 -0.740 50 20 CBGD CN(C)c1noc(CCC(=O)NNC(=O)c2cn[nH]c2)n1 862470788 JPGTVLSLMZOHNC-UHFFFAOYSA-N 293.287 -0.748 50 20 CBGD Cc1cc(=NNC(=O)NCCN2CCOCC2)cc[nH]1 874984794 RBGXQKGFGKGJSW-UHFFFAOYSA-N 279.344 -0.230 50 20 CBGD CNC(=O)NNC(=O)[C@@]12CCC(=O)N1CCS2 920746657 YXSYKLRGNUUYIU-VIFPVBQESA-N 258.303 -0.988 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@@H](C)c1ncn(C)n1 1116711040 FSWFFLRNNNXRJC-JGVFFNPUSA-N 268.321 -0.588 50 20 CBGD N#Cc1ccnc(N2CC[C@@H](B(O)O)C2)c1[N+](=O)[O-] 1118916769 UVLGSPFXQGURNU-MRVPVSSYSA-N 262.034 -0.085 50 20 CBGD COCC(=O)NCCC(=O)NNC(=O)C1CCC1 1251810384 FLSYMTANUVULDS-UHFFFAOYSA-N 257.290 -0.913 50 20 CBGD Cc1nnc(CN(C)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)o1 1327897205 FFAUOFPEYBOPDE-CBAPKCEASA-N 297.315 -0.024 50 20 CBGD COCCO[C@@H](C)C(=O)NN=Cc1cnc2n1CCOC2 1332514955 JYQXXKZNNRRJCJ-JTQLQIEISA-N 296.327 -0.085 50 20 CBGD CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ncc[nH]1 1335452010 JGHGHYKKGYRSJP-QMMMGPOBSA-N 270.314 -0.315 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@]1(C)CC(C)=NO1 1336056008 UESOGHWTTXSYCZ-LLVKDONJSA-N 273.289 -0.648 50 20 CBGD COC(=O)[C@H]1C[C@@H](C(=O)NNC(=O)NC(C)C)C1 1337096497 NTICVFMIYMHDLN-OCAPTIKFSA-N 257.290 -0.076 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)NC2CC2)co1 1338554342 GMHLHMWJBTZFMJ-UHFFFAOYSA-N 251.242 -0.372 50 20 CBGD Cn1cc(C(=O)NNC(=O)Cc2cncs2)cn1 1338592269 LWSSXFBOLJLDLK-UHFFFAOYSA-N 265.298 -0.120 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H](C(=O)O)C1CCCC1 1588796110 TWCJELWQJWNDAF-MRVPVSSYSA-N 272.301 -0.204 50 20 CBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)o1)c1ccccn1 1593158423 OYHQIQQCVNKJMK-UHFFFAOYSA-N 299.250 -0.071 50 20 CBGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)CN)C2 1846361924 WWYHXUFOSYMBMZ-SECBINFHSA-N 289.763 -0.598 50 20 CBGD O=C(CN1CCC[C@H](O)C1)NNC(=O)c1ccccc1 47864714 HFWSXKKEGFJAJV-LBPRGKRZSA-N 277.324 -0.096 50 20 CBGD CNC(=O)NNC(=O)CCn1cnc2sccc2c1=O 56375657 OJFOKLIPVGWBJP-UHFFFAOYSA-N 295.324 -0.192 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1 132305624 UIWCUKVORVXMSW-UHFFFAOYSA-N 286.291 -0.058 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1ccc(Cl)nn1 265378628 CBFXBYUUHPHVNM-RXMQYKEDSA-N 293.736 -0.489 50 20 CBGD CCOC(=O)NCCC(=O)NNC(=O)C(C)(C)O 276318164 WAVYURDNNQFFJR-UHFFFAOYSA-N 261.278 -0.959 50 20 CBGD Cc1cncc(C(=O)NNC(=O)N2CCN(C)CC2)c1 287769448 JRAMPHDDCAPFDI-UHFFFAOYSA-N 277.328 -0.008 50 20 CBGD C[C@H](C[S@](C)=O)N(C)Cc1ccc(B(O)O)cc1F 399941987 OBNZTFABERZNED-HOGDKLEQSA-N 287.165 -0.296 50 20 CBGD O=C(NC[C@@H]1CC[C@H](O)C1)c1ccc(B(O)O)cc1 584980232 UHFJJXOJKFHPNH-SKDRFNHKSA-N 263.102 -0.743 50 20 CBGD N#C[C@H]1CC[C@@H](NC(=O)c2cccc(B(O)O)c2)C1 585000457 KEMJAGPVOVJRCF-JOYOIKCWSA-N 258.086 -0.212 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@H](CCO)CC1 585001342 VFAVSNXSKKMQNI-LBPRGKRZSA-N 291.156 -0.009 50 20 CBGD C[C@@H](CN1CCOCC1)NCc1cccc(B(O)O)c1 585015644 IMBURLGGPFCKTG-LBPRGKRZSA-N 278.161 -0.823 50 20 CBGD CC(C)NC(=O)C[C@@H](C)NCc1ccc(B(O)O)cc1F 585023150 HCQANACOMHCGEX-SNVBAGLBSA-N 296.151 -0.102 50 20 CBGD CCc1[nH]nc(NCc2cccc(B(O)O)c2)c1C 585031390 UHGOVONNGYJQFQ-UHFFFAOYSA-N 259.118 0.572 50 20 CBGD C[C@@H]1CN(C)C[C@@H]1NCc1ccc(B(O)O)cc1F 585031424 UQRQGDSRLWZLPD-RNCFNFMXSA-N 266.125 -0.455 50 20 CBGD CC1(C)NC(=O)CC[C@H]1NCc1ccc(B(O)O)cc1F 585041823 HFWKKJRWBQEZIX-GFCCVEGCSA-N 294.135 -0.348 50 20 CBGD CN(CC#N)CC(=O)NNC(=O)c1cccs1 727830273 YFGXIYZPJFYONO-UHFFFAOYSA-N 252.299 -0.036 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CCCCN1CCCC1 729303882 BWJBWYKISZHRNX-UHFFFAOYSA-N 298.387 -0.076 50 20 CBGD C[C@@]1(CNC(=O)NNC(=O)C(=O)N2CCCC2)CCOC1 733651423 OCMFEMQKOGJURZ-ZDUSSCGKSA-N 298.343 -0.634 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cnn(C)c2)nn1C 735443884 ICSGCNOKAFJXDV-UHFFFAOYSA-N 262.273 -0.463 50 20 CBGD CCN1CCN(CC(=O)NNC(=O)C(C)C)CC1 746096088 OWOYGRFZOQQKNV-UHFFFAOYSA-N 256.350 -0.573 50 20 CBGD CCNC(=O)NNC(=O)CCn1cc([N+](=O)[O-])nc1C 748719085 WWPDRFQDUQNMLB-UHFFFAOYSA-N 284.276 -0.160 50 20 CBGD CCC(CC)NC(=O)C(=O)NN=Cc1cnnn1C 751133734 RXEYBBVTWWGYTL-UHFFFAOYSA-N 266.305 -0.430 50 20 CBGD O=C(CO)NNC(=O)c1cc(O)cc([N+](=O)[O-])c1 753438932 LEBYOXWVEWKIQQ-UHFFFAOYSA-N 255.186 -0.946 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@]1(O)CCSC1 765791964 UBYRXXMFMFSVDK-SNVBAGLBSA-N 270.314 -0.653 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)Sc1nnc(CC)n1N 768400744 XFDXEKHJVAJEMO-ZCFIWIBFSA-N 286.361 -0.408 50 20 CBGD CC[C@H]1CN([C@H](CC)C(=O)NNC(=O)NC)CCO1 773851108 ZTHXCCFJEXOYRL-VHSXEESVSA-N 272.349 -0.164 50 20 CBGD COc1nccnc1NNC(=O)[C@H]1CCN(C)C1=O 776226558 HAJRLARYCQXBOP-SSDOTTSWSA-N 265.273 -0.593 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCOC[C@@H]1C 794507451 CPVJTAGOXBVHQV-YUMQZZPRSA-N 277.346 -0.547 50 20 CBGD C[C@@H](C(=O)NNC(=O)CN(C)C)N(C)CC(F)(F)F 806772712 SZSAWVJWCADEBB-ZETCQYMHSA-N 284.282 -0.422 50 20 CBGD CNC(=O)NN=Cc1ccc(S(N)(=O)=O)cc1 811639343 XHHRWKQZWRAWQR-UHFFFAOYSA-N 256.287 -0.403 50 20 CBGD CCN(CCO)NC(=O)CC1(CS(C)(=O)=O)CC1 823865043 HGNSUPAEDYKYEB-UHFFFAOYSA-N 278.374 -0.453 50 20 CBGD CCN(CCO)NC(=O)C(C)(C)S(=O)(=O)C1CC1 823884922 OQKLNAXTDWKEDS-UHFFFAOYSA-N 278.374 -0.312 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 823907589 NKEUCNHXALSZLB-UWVGGRQHSA-N 295.343 -0.883 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccncn1 843655989 LQZGPXOACUMTNE-SFYZADRCSA-N 250.258 -0.337 50 20 CBGD Cc1nccc(CCC(=O)NNC(=O)c2cc[nH]n2)n1 855355819 HXTRTCWHRBAOEK-UHFFFAOYSA-N 274.284 -0.098 50 20 CBGD O=C(CCCn1ccnc1)NNC(=O)c1cc[nH]n1 855358303 FTCSWNUEJXBZLY-UHFFFAOYSA-N 262.273 -0.152 50 20 CBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)c1cccc(F)n1 856426620 BSTQYLPPJPDHSD-SECBINFHSA-N 280.259 -0.398 50 20 CBGD CC[C@H](C(=O)NNC(=O)CO)N(C)C(=O)OC(C)(C)C 857171267 XCVHLXAHKPRVOY-MRVPVSSYSA-N 289.332 -0.228 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@]2(O)CCOC2)n1 857436299 VZGOQSWBWRCOBL-NSHDSACASA-N 252.274 -0.312 50 20 CBGD C=CCCN(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858699582 UMYVZTYTBAIUFQ-QMMMGPOBSA-N 254.290 -0.486 50 20 CBGD COC1CC(C(=O)NNC(=O)CNC(=O)c2ccco2)C1 859063495 SEGCXEJWBMBOAA-UHFFFAOYSA-N 295.295 -0.418 50 20 CBGD Cc1cc(C)c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)o1 862455388 FVOJYGXUJKNGFH-QMMMGPOBSA-N 265.269 -0.064 50 20 CBGD COC(=O)c1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)c[nH]1 863149171 SXVYQMAGJUFZTJ-QMMMGPOBSA-N 278.268 -0.470 50 20 CBGD CO[C@](C)(C=NNC(=O)CS(C)(=O)=O)C1CC1 863185742 AQPGZENPDQOXGX-SNVBAGLBSA-N 262.331 -0.052 50 20 CBGD COCCOCC(=O)NNC(=O)c1cc2n(n1)CCC2 869904172 RKAVFTUCGZDYNI-UHFFFAOYSA-N 282.300 -0.747 50 20 CBGD COCCOCC(=O)NNC(=O)CSC(C)C 869910859 MZRZFNZCKOIZFM-UHFFFAOYSA-N 264.347 -0.062 50 20 CBGD NC(=O)C(=O)NN=Cc1ccc(-n2cccn2)cc1 873861567 DLXDBUPTLWGNFF-UHFFFAOYSA-N 257.253 -0.192 50 20 CBGD CCc1nnc(C(=O)NNC(=O)N2CCN(C)CC2)s1 908053854 ARGYOPSVIVROLZ-UHFFFAOYSA-N 298.372 -0.298 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCCc2nn[nH]c21 910147599 NZHGIEZDLKMUQJ-JGVFFNPUSA-N 253.306 -0.432 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=O)c1cccnc1 912628632 BIMUVKCAJCWLTJ-SSDOTTSWSA-N 250.258 -0.633 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N[C@H]1C(=O)NCC1(C)C 931659362 WXWLLPWUXDXJJH-ONGXEEELSA-N 298.387 -0.317 50 20 CBGD CNC(=O)NN=Cc1ccc(OC)c(OCC(N)=O)c1 1115894904 OBPWGIIYVCGKHV-UHFFFAOYSA-N 280.284 -0.178 50 20 CBGD Cn1cc(CNC(=O)NNC(=O)[C@H]2CCCCO2)nn1 1118240551 ILZWRDIIVMPPGO-SECBINFHSA-N 282.304 -0.785 50 20 CBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)OC(C)(C)C 1263700464 XPUKTMIYYJFVNH-NXEZZACHSA-N 284.360 -0.069 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)c1csnn1 1318891885 RUXWMCXNEXMFJX-UHFFFAOYSA-N 263.282 -0.063 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C 1319300235 UETASBYBGSVQLQ-JMCQJSRRSA-N 287.316 -0.307 50 20 CBGD C/C=C(/C)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1322375935 KAZXYSTXTOHOAS-PFPYCLJUSA-N 275.330 -0.530 50 20 CBGD CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1nccn1C 1322999814 SNQSFNRCEYEPMC-SECBINFHSA-N 284.341 -0.305 50 20 CBGD CN1N=C(C(=O)NNc2ncncc2F)CCC1=O 1324458816 ZSPVLMDLPOLZGA-UHFFFAOYSA-N 266.236 -0.333 50 20 CBGD Cc1cc(C(=O)NNC(=O)C[C@H]2C=CS(=O)(=O)C2)n[nH]1 1333586909 JWBVZIQABXMTQB-MRVPVSSYSA-N 298.324 -0.572 50 20 CBGD CCn1nc(NC(=O)C(=O)NNC(C)=O)cc1C1CC1 1337962053 XNROSJDWECLKGH-UHFFFAOYSA-N 279.300 -0.114 50 20 CBGD CCOC(=O)C[C@H](C)CNC(=O)NNC(=O)C(=O)OC 1341243107 FXNDMLCKACFLIE-ZETCQYMHSA-N 289.288 -0.921 50 20 CBGD Cn1cc(C(=O)NNc2ncncc2Cl)c(O)nc1=O 1343200994 QSSHHAATAVRVRO-UHFFFAOYSA-N 296.674 -0.314 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C)nn1 1348479196 RKLXCWGZAQTURF-SECBINFHSA-N 277.284 -0.867 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H]1CN2CCN1C[C@H]2C 1349475331 XXSXRVIJUYRTNH-NEPJUHHUSA-N 278.356 -0.674 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)CCCNC 1578071412 HSTJQYJSNPSCTA-UHFFFAOYSA-N 275.349 -0.077 50 20 CBGD COc1ccnc(NNC(=O)[C@H]2[C@H]3CCNC[C@H]32)n1 1579317582 YXGDHEJGKRVFPL-XKSSXDPKSA-N 263.301 -0.216 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@H](N)CC(F)F)n[nH]1 1579589360 GHHCRYQJVNARQT-SSDOTTSWSA-N 275.259 -0.609 50 20 CBGD CCC(CC)(C(=O)O)C(=O)NNC(=O)CS(C)(=O)=O 1589475688 HAGXKJBEOXKAOO-UHFFFAOYSA-N 294.329 -0.931 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(C(=O)O)n1 1594644000 KRCSEAIEKNQQSN-YUMQZZPRSA-N 293.279 -0.034 50 20 CBGD O=C(NNC(=O)c1cc(C(=O)O)co1)C(=O)NC1CC1 1601554860 KSFRBSYMKXDSTL-UHFFFAOYSA-N 281.224 -0.983 50 20 CBGD O=C(O)c1cnc(C(=O)NN=c2cc[nH]cc2F)cn1 1602509253 WJYXAVUXVKJRRK-UHFFFAOYSA-N 277.215 -0.112 50 20 CBGD CC(C)c1ccccc1NC(=O)C(=O)NNC(=O)C(=O)O 1604009940 NFYMVRBZAUGNGD-UHFFFAOYSA-N 293.279 -0.020 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@H]1C(=O)O)c1cc[nH]n1 1608478942 BDBNPSGAHIWOSD-NTSWFWBYSA-N 252.230 -0.719 50 20 CBGD COC[C@H](CN1CCOCC1)NC(=O)CCl 1887491292 BSMGKCLZMTWYAX-VIFPVBQESA-N 250.726 -0.311 50 20 CBGD CC(=O)NCCNC(=O)NNc1nc(C)cc(C)n1 43141289 WYIVWWXHOFVSNC-UHFFFAOYSA-N 266.305 -0.144 50 20 CBGD O=C(NNS(=O)(=O)c1cn[nH]c1)c1ccccc1O 48961640 QERKMWPJFLPNCH-UHFFFAOYSA-N 282.281 -0.261 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@H](C)O1 112975412 ANMDSPBDSKEIIN-DTORHVGOSA-N 255.318 -0.347 50 20 CBGD CC(C)CCNC(=O)NNC(=O)C(=O)N1CCCC1 155013099 ZOWFRTMUZJEKHB-UHFFFAOYSA-N 270.333 -0.015 50 20 CBGD Cc1cccc(F)c1NNC(=O)C(=O)NCC(=O)N(C)C 187607610 QWYNCZJSLSDDJG-UHFFFAOYSA-N 296.302 -0.218 50 20 CBGD CSSCCNC(=O)NCCN1C(=O)CNC1=O 285604607 XSTBTUAXIWQDQB-UHFFFAOYSA-N 292.386 -0.151 50 20 CBGD COCCN(C)NC(=O)c1ccc(-n2cnnn2)cc1 288379082 IQXWMPRXSVPGQM-UHFFFAOYSA-N 276.300 -0.115 50 20 CBGD O=C(NCC(=O)N1CCOCC1)NNc1ncncc1F 293070212 QLLYOJHTEKFGGD-UHFFFAOYSA-N 298.278 -0.899 50 20 CBGD CN1CC(=O)N(CC(=O)NNC(=O)NC2CCCC2)C1=O 299354420 QGBKEGIOESBDTM-UHFFFAOYSA-N 297.315 -0.847 50 20 CBGD O=C(N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1CO)c1cccc(B(O)O)c1 584962604 IQXHOBGNNVKPAE-DUBDDPSESA-N 289.140 -0.497 50 20 CBGD C[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@@H]1CO 584979353 RMIZZPWBYDUXQR-QPUJVOFHSA-N 281.092 -0.652 50 20 CBGD C[C@H]1CC[S@](=O)CCN1C(=O)c1cccc(B(O)O)c1 584982275 JRFXHKMWNMUHJG-FVINQWEUSA-N 295.169 -0.651 50 20 CBGD OB(O)c1ccc(CNCC2(O)CCC2)c(F)c1 585022881 BYXUUPJCVBXQDG-UHFFFAOYSA-N 253.082 -0.490 50 20 CBGD COc1cccc([C@H](CO)NCc2ccc(B(O)O)o2)c1 585024796 CXWDNBYXZJYHFU-ZDUSSCGKSA-N 291.112 -0.209 50 20 CBGD CCN(CC1CC1)S(=O)(=O)N1CC[C@@H](B(O)O)C1 585058878 SEZXLXXPOPWYJQ-SNVBAGLBSA-N 276.167 -0.488 50 20 CBGD C[C@H]1CN(CCNC(=O)NNc2ncccn2)CCO1 726258969 YPKMFUFUUHDCHA-JTQLQIEISA-N 280.332 -0.177 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(O)cc1 728436695 IFSCGIMUJQXGTR-MRVPVSSYSA-N 285.325 -0.220 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C)o1 732258021 FFKRXURDXDUPBI-VIFPVBQESA-N 265.269 -0.064 50 20 CBGD COCCN1CC[C@H](NC(=O)NNC(=O)C2CCC2)C1 736663834 CGYNKLHGQSVPOK-NSHDSACASA-N 284.360 -0.162 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(c2nc[nH]n2)CC1 751500000 BXQHIJLJWBWHJA-SECBINFHSA-N 294.359 -0.070 50 20 CBGD O=C(CO)NNC(=O)C1(c2ccccc2F)CC1 753444857 RABNVOYERWYGQN-UHFFFAOYSA-N 252.245 -0.003 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNc1cc(Cl)nc(N)n1 753450879 AZYIHJUQMMHBBA-VKHMYHEASA-N 273.684 -0.788 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccc3nc[nH]c3n2)cn1 755361757 OROAUNMLVUSFHX-UHFFFAOYSA-N 285.267 -0.234 50 20 CBGD CC(C)C(=O)NNC(=O)c1cc([N+](=O)[O-])cnc1N 757715147 KDZDTAOEHCKKRE-UHFFFAOYSA-N 267.245 -0.011 50 20 CBGD NC(=O)c1cc(C(=O)NNC(=O)C2CCC2)co1 759853542 NYAGYTUWCXIMQC-UHFFFAOYSA-N 251.242 -0.060 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(CCC(N)=O)CC1 767773056 LJCXGPUWIVTZPU-SNVBAGLBSA-N 298.387 -0.090 50 20 CBGD Cc1[nH]c(C(=O)NNC(=O)CO)c(C)c1C(=O)OC(C)C 777782049 VYGLAULFRGWIMI-UHFFFAOYSA-N 297.311 -0.050 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCOC[C@@H]1CCCO1 787949280 DPIDVKWFUYZNSE-VIFPVBQESA-N 274.317 -0.510 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1ccccn1)[C@@H](C)S(C)(=O)=O 788262822 YOHBKTJKPJOJHM-RKDXNWHRSA-N 299.352 -0.088 50 20 CBGD Cc1cccc(C(=O)NNC(=O)N[C@H](C)C(=O)N(C)C)n1 792832271 PDPKNKLWJQAMDW-SECBINFHSA-N 293.327 -0.189 50 20 CBGD C[Si](C)(C)c1ccc(CC(=O)NNC(=O)CO)cc1 810919147 CVVCGVSZPYRDRC-UHFFFAOYSA-N 280.400 -0.086 50 20 CBGD CC(=NNC(=O)C(=O)NC(C)C)c1csnn1 814777554 FCGYSZNKTNQRRD-UHFFFAOYSA-N 255.303 -0.097 50 20 CBGD O=C(CNC(=O)c1cccnc1)NN=C1COCCOC1 814873548 HAOCVZADRRNYIO-UHFFFAOYSA-N 292.295 -0.670 50 20 CBGD CC(=O)N[C@](C)(C(=O)NN(C)[C@H](C)CO)C(C)C 823384044 AGGGSZJDCRFDJO-SKDRFNHKSA-N 259.350 -0.119 50 20 CBGD O=C(NNc1nc2ccccn2n1)[C@H]1CCCS1(=O)=O 847891931 LQKOHJLLCJFSPA-MRVPVSSYSA-N 295.324 -0.250 50 20 CBGD CC(C)C[C@@H](C(N)=O)C(=O)NNC(=O)c1cc[nH]n1 855355257 UJPSOKGKZMRTJX-ZETCQYMHSA-N 267.289 -0.682 50 20 CBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)OCC(F)(F)F 856022553 GOOURLCEZQTXSN-IMJSIDKUSA-N 285.178 -0.197 50 20 CBGD COC(=O)NCCC(=O)NNC(=O)c1cccc(F)n1 856423653 ABCCKWMQEQTHBM-UHFFFAOYSA-N 284.247 -0.272 50 20 CBGD C[C@H]1CC(=NC(=O)c2cc(B(O)O)ccc2F)NO1 863877759 JAARBGDCUDQVPE-LURJTMIESA-N 266.037 -0.642 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cn(-c2cccnc2)nn1 910149142 HQRZRUJBZZKEDC-VIFPVBQESA-N 276.300 -0.380 50 20 CBGD C=C[C@@](C)(CCOC)C(=O)NNC(=O)CN1CCCC1=O 913732251 NUNWBLQKICJNPS-AWEZNQCLSA-N 297.355 -0.015 50 20 CBGD NC(=O)c1cc(C(=O)NNC(=O)c2ccc[nH]2)c[nH]1 916731962 YJSIUOTUWHVMGO-UHFFFAOYSA-N 261.241 -0.484 50 20 CBGD CC(CCN(C)C)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920384913 SCQKMOLWLTUPKE-SNVBAGLBSA-N 290.389 -0.200 50 20 CBGD COC(=O)N(C)NC(=O)[C@H]1CC(c2cn(C)nc2C)=NO1 935907760 CCENGZOJQSPDEN-SNVBAGLBSA-N 295.299 -0.049 50 20 CBGD Cn1cnn(CCC(=O)N2CC=C(C#N)CC2)c1=O 1117754850 JDYDHTDQIRDAQV-UHFFFAOYSA-N 261.285 -0.346 50 20 CBGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NN)ccc21 1118265737 FKIKJIRKTPTDGB-UHFFFAOYSA-N 276.296 -0.685 50 20 CBGD C/C(=C/C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1cnccn1 1118884798 QMFCTPUHXGASIH-XZLDQRQTSA-N 289.295 -0.694 50 20 CBGD Cc1ccc(NNC(=O)N[C@H]2CCS(=O)(=O)C2)nn1 1318306509 KOJMGXRYYQYIIM-QMMMGPOBSA-N 285.329 -0.402 50 20 CBGD C[S@@](=O)CCNC(=O)NNC(=O)c1ccc(C#N)cc1 1318540590 YERGLXDTOUYMES-HXUWFJFHSA-N 294.336 -0.119 50 20 CBGD O=C(C[C@H]1CCC(=O)N1)NNC(=O)NCc1ccco1 1328183411 HQKXPYDSSMXJSE-MRVPVSSYSA-N 280.284 -0.221 50 20 CBGD O=C1NCC[C@H]1C(=O)NNc1ccc(-n2ccnc2)nn1 1328317558 SHWIOKLGMWIGQP-MRVPVSSYSA-N 287.283 -0.759 50 20 CBGD COC[C@H]1CCCN1C(=O)NNC(=O)c1cn[nH]c1 1329194078 UAKCLVAMYLVSDO-SECBINFHSA-N 267.289 -0.125 50 20 CBGD CO[C@H](C=NNC(=O)CS(C)(=O)=O)[C@@H]1CCOC1 1331723532 UUQNRUWAQGRPKE-RKDXNWHRSA-N 278.330 -0.816 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H]1CCCN1C=O 1350524361 COOGMFBFPGPSRD-MRVPVSSYSA-N 258.347 -0.489 50 20 CBGD OB(O)[C@@H]1CCN(c2cccnc2-c2nn[nH]n2)C1 1593498765 TWOYZAQLBXFGCO-SSDOTTSWSA-N 260.066 -0.685 50 20 CBGD COC(=O)c1coc(C(C)=NNC(=O)C(=O)O)c1 1599014615 RSBSYMFTVJYIDL-UHFFFAOYSA-N 254.198 -0.009 50 20 CBGD COC[C@](C)(O)C(=O)NNc1ccc(C(=O)O)cn1 1599157105 WHYVXDUCLWCJCB-NSHDSACASA-N 269.257 -0.380 50 20 CBGD COCc1ccc(CNC(=O)NNC(=O)C(=O)O)cc1 1599294241 RZNVQKSJGWZKCY-UHFFFAOYSA-N 281.268 -0.252 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1 1600675149 NFBBHAVFMQDQIU-JGVFFNPUSA-N 280.284 -0.020 50 20 CBGD O=C(Cn1cc(C(=O)O)cn1)NNC(=O)C1CCCC1 1601379198 CCJBJPKRAYCBTI-UHFFFAOYSA-N 280.284 -0.081 50 20 CBGD O=C(NNC(=O)[C@H]1CCCO1)c1ccnc(C(=O)O)c1 1601556197 RTWCXQMDXLEUDQ-SECBINFHSA-N 279.252 -0.280 50 20 CBGD CC(=NNC(=O)C(=O)O)c1cccc(-n2cnnn2)c1 1609553129 HUJAPSRGRGXQAA-UHFFFAOYSA-N 274.240 -0.413 50 20 CBGD COc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cn1 10215249 ZEXIZBJYQDINPP-UHFFFAOYSA-N 278.268 -0.870 50 20 CBGD C#C[C@H](C)NC(=O)NNC(=O)CNC(=O)c1ccco1 187728317 GSNCICFAHGIHJP-QMMMGPOBSA-N 278.268 -0.639 50 20 CBGD CC(=O)NNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 298193464 JZGJSSNKUIALOR-GMSGAONNSA-N 257.315 -0.392 50 20 CBGD CC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cccn1C 299439166 CYPFUWMPQNIQBR-NSHDSACASA-N 278.312 -0.203 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)NCCN2CCOCC2)cn1 490937906 DOJJVPRTNDGDKH-MDWZMJQESA-N 289.339 -0.225 50 20 CBGD C#C[C@H](CC)NC(=O)NNC(=O)CNC(=O)c1ccco1 491630301 MUCKLCWSHJUWNR-SECBINFHSA-N 292.295 -0.248 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCN(CC2CC2)CC1 584932357 LUKCVOVEZQSQAP-UHFFFAOYSA-N 288.156 -0.466 50 20 CBGD C[C@@H](CNC(=O)c1ccc(B(O)O)cc1)Cn1ccnc1 584950640 RWHHUXNRFDSLIG-NSHDSACASA-N 287.128 -0.371 50 20 CBGD CCN1CC[C@H](NC(=O)c2ccc(B(O)O)cc2)C[C@@H]1C 584952391 UDMNXTZABYRYNN-FZMZJTMJSA-N 290.172 -0.031 50 20 CBGD CN(C[C@@H]1CCOC1)C(=O)c1ccc(B(O)O)cc1 584960424 LDDHNGGXWBNKGX-JTQLQIEISA-N 263.102 -0.525 50 20 CBGD CC[C@@H](C[C@@H](C)CO)NC(=O)c1ccc(B(O)O)cc1 584962489 HHSLYGOZEADKKY-MFKMUULPSA-N 279.145 -0.107 50 20 CBGD C[C@@H]1[C@@H](CO)CCN1C(=O)c1cc(B(O)O)ccc1F 584981052 AMQQPUUGUGBGPQ-RKDXNWHRSA-N 281.092 -0.652 50 20 CBGD C[C@@H]1CSC[C@H]1NC(=O)c1cc(B(O)O)ccc1F 584988878 UHKGDBXLPJHDLY-RDDDGLTNSA-N 283.133 -0.013 50 20 CBGD CCN1CCC(NCc2ccc(B(O)O)o2)CC1 585014728 ZPEMSDLSADBMJQ-UHFFFAOYSA-N 252.123 -0.467 50 20 CBGD C[C@H](CN1CCOC[C@H]1C)NCc1ccc(B(O)O)o1 585021432 KJQKWTXPZTYOLD-GHMZBOCLSA-N 282.149 -0.842 50 20 CBGD NC(=O)[C@H]1CCC[C@@H](NCc2ccc(B(O)O)cc2F)C1 585030075 OIIDAPUGEZNWNO-JOYOIKCWSA-N 294.135 -0.361 50 20 CBGD CCOc1ncc(C(=O)NCB(O)O)cc1Cl 585062750 MKZCJIXZTBPRJL-UHFFFAOYSA-N 258.470 -0.125 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@@H]1CCCOC1 731282932 YWVJHZQJYBMUHP-VIFPVBQESA-N 259.306 -0.220 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCNC(=O)[C@H]1C 732200016 UDBZCLLQEOBLMH-NXEZZACHSA-N 284.360 -0.611 50 20 CBGD C[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)N1CCOCC1 746179263 SZVKZXWNKJIXNH-QWRGUYRKSA-N 284.360 -0.068 50 20 CBGD C[C@@H](C(=O)NNC(=O)N1CCOCC1)c1cnn(C)c1 749933801 JJJLXWOIJCXAIX-SECBINFHSA-N 281.316 -0.403 50 20 CBGD O=C(NNC(=S)NCC(F)(F)F)N1CCOCC1 751007188 MRSCKZRWEFJSCF-UHFFFAOYSA-N 286.279 -0.030 50 20 CBGD CC(CN1Cc2ccccc2C1=O)=NNC(=O)C(N)=O 754895406 PPIGZMCMDJZJSS-UHFFFAOYSA-N 274.280 -0.380 50 20 CBGD O=C(CO)NNC(=O)Nc1nc2c(s1)COCC2 756626250 BHRAFXXFRQQRCH-UHFFFAOYSA-N 272.286 -0.639 50 20 CBGD CCOCC(=O)NNC(=O)NCCCO[C@H]1CCOC1 757246081 FBPAQLIIYMLFMG-JTQLQIEISA-N 289.332 -0.451 50 20 CBGD CCOC(=O)c1nn(C)cc1C=NNC(=O)NC 769779341 CYRIVEOIXOJWDM-UHFFFAOYSA-N 253.262 -0.140 50 20 CBGD COC(=O)CNC(=O)NN=C1CCN(C)[C@H](C)C1 779816070 HALAGUFXCQFDJP-MRVPVSSYSA-N 256.306 -0.071 50 20 CBGD O=C(NNC(=O)[C@@H](F)C(F)(F)F)C(=O)N1CCCC1 810275634 SKUMZNPYSXMKHJ-RXMQYKEDSA-N 285.197 -0.343 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CCc2nccn2C1 823852779 PGVRRGCPGMDFPH-SNVBAGLBSA-N 252.318 -0.209 50 20 CBGD O=C(Cc1cccc(C(=O)O)c1)NNC(=O)c1cnn[nH]1 833765963 ZMQWKWHJZBGVRC-UHFFFAOYSA-N 289.251 -0.493 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@H]2NC(=O)O[C@@H]2C)nc1 841410539 DYYRUOJYWAKCHM-MUWHJKNJSA-N 294.267 -0.192 50 20 CBGD O=C(CNC(=O)[C@H]1CCCN1)NNC(=O)c1ccccc1 844204091 MIVPJYSNZJPBSJ-LLVKDONJSA-N 290.323 -0.684 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ccccc2)CC1=O 846704819 SBAXKEYIPYNWCK-UHFFFAOYSA-N 276.296 -0.185 50 20 CBGD CC[C@@H]1COCC1=NNC(=O)[C@@H]1CCS(=O)(=O)C1 853285576 WUFQLOCHLGQPQY-RKDXNWHRSA-N 274.342 -0.050 50 20 CBGD C#C[C@H](CC)NC(=O)NNC(=O)[C@@H](C)OCCOC 854073607 YLDBNSNFGWWEGU-NXEZZACHSA-N 271.317 -0.220 50 20 CBGD C=C[C@](C)(O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 854179662 GJSGEUIQPPQALL-RISCZKNCSA-N 292.291 -0.089 50 20 CBGD CNC(=O)NCCC(=O)NNc1ncc(Cl)cn1 857358622 DBZNFAGFQAFTRA-UHFFFAOYSA-N 272.696 -0.108 50 20 CBGD CCC(C)(C)N[C@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862461471 POAPAFLWMQLLDL-BDAKNGLRSA-N 284.360 -0.421 50 20 CBGD C[C@H]1CN=C(NC(=O)c2cccc(B(O)O)c2)S1 863884164 APBOBMZBPRJXBL-ZETCQYMHSA-N 264.115 -0.413 50 20 CBGD CC(=O)NNC(=O)[C@@]1(C)Oc2ccccc2NC1=O 864427048 GZHWGLQWIITNPF-LBPRGKRZSA-N 263.253 -0.057 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@H](C(C)C)N(C)C)n[nH]1 869012440 RGCNZAIJTRBWNW-GFCCVEGCSA-N 281.360 -0.006 50 20 CBGD C=C(CN(C)C)C(=O)NNC(=O)Cc1cc(C)[nH]n1 869016675 OLYPLLBYUSIPMZ-UHFFFAOYSA-N 265.317 -0.474 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1C[C@H]2COC[C@H]2C1 873052326 OHCVSNUOHQLUJJ-CHWFTXMASA-N 283.328 -0.270 50 20 CBGD COC(=O)[C@H]1C[C@@H](O)CN(S(=O)(=O)CCCCl)C1 882312706 YJCGMTHTRKBAFA-DTWKUNHWSA-N 299.776 -0.199 50 20 CBGD O=C1CC[C@@H](C(=O)NNS(=O)(=O)c2ccccc2)N1 913188018 UVPWNQFOYOWYDO-VIFPVBQESA-N 283.309 -0.725 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1ccccc1)N1C(=O)CCC1=O 914683990 VXDJXOOADVZCKP-VIFPVBQESA-N 289.291 -0.015 50 20 CBGD COc1ccnc(NNC(=O)CN2CCCNC2=O)n1 915260297 KXLCKQKFKSVCTR-UHFFFAOYSA-N 280.288 -0.656 50 20 CBGD CCNC(=O)NNC(=O)[C@](C)(NC(C)=O)C(C)C 930731485 BJRJRAPZMWDCDO-LLVKDONJSA-N 258.322 -0.113 50 20 CBGD C[C@@H]1NC(=O)[C@H](C)N(CC(=O)NNC(=O)C(C)(C)C)[C@@H]1C 930839084 UXWZVOMSSZBLRP-AEJSXWLSSA-N 298.387 -0.223 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCCOCC1 1116479222 OAHDQXBBFDEJOF-ZETCQYMHSA-N 259.262 -0.941 50 20 CBGD CCc1cccc(NC(=O)C(=O)NNC(=O)CCO)c1 1116623574 NCDZGMRWPKMIKG-UHFFFAOYSA-N 279.296 -0.283 50 20 CBGD C[C@H](NC(=O)NNc1ncccn1)c1ncn(C)n1 1116686598 NFVHUWGNKQEWMI-ZETCQYMHSA-N 262.277 -0.008 50 20 CBGD COCCCNC(=O)NNC(=O)CCc1cnc[nH]1 1116880562 RJQDYTKWYGILHY-UHFFFAOYSA-N 269.305 -0.291 50 20 CBGD CNC(=S)N(C)NC(=O)C1(O)Cc2ccccc2C1 1118713130 KZLIRXRUWYILIO-UHFFFAOYSA-N 279.365 -0.016 50 20 CBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc[nH]c1 1318431910 QXBFYWUYEVGOMK-MRVPVSSYSA-N 271.298 -0.790 50 20 CBGD NC(=O)c1nccnc1C(=O)NNC(=O)NC1CCCC1 1318982609 HJSWFNYGNUEHLW-UHFFFAOYSA-N 292.299 -0.538 50 20 CBGD CC1(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CCC1 1319097103 ZDDXHYUGLDLLPI-QMMMGPOBSA-N 289.357 -0.306 50 20 CBGD Cc1n[nH]c(C)c1CC(=O)NNC(=O)Cc1cc[nH]n1 1320639200 ZOSICIPABWZKCH-UHFFFAOYSA-N 276.300 -0.318 50 20 CBGD CCCc1nc(C)c(C(=O)NNC(=O)C(=O)NC2CC2)o1 1324646417 MDAPXJBMFJARBL-UHFFFAOYSA-N 294.311 -0.025 50 20 CBGD COC(=O)N(C)NC(=O)CCCCCS(N)(=O)=O 1327311144 SRZYWDODXMIMTN-UHFFFAOYSA-N 281.334 -0.435 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCOCCF)cn1 1327564609 ZEIVTXBYICMGLL-UHFFFAOYSA-N 273.268 -0.650 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 1328741735 WLNSLBMFDULXOE-JGVFFNPUSA-N 256.306 -0.360 50 20 CBGD CO[C@H](C)CN(C)C(=O)NNC(=O)c1cn[nH]c1 1329759750 QECXQXJPVYLBBZ-SSDOTTSWSA-N 255.278 -0.269 50 20 CBGD CC(C)(C)C(=O)NCC(=O)NNC(=O)C1CCOCC1 1330828420 ARPVDUMUEUFVGS-UHFFFAOYSA-N 285.344 -0.277 50 20 CBGD C=CCCn1cc(C=NNC(=O)CS(C)(=O)=O)nn1 1331722331 GJDPWXGZQVBHLH-UHFFFAOYSA-N 285.329 -0.651 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCn1cncn1 1332068674 HBUWTNNDQUERLL-RKDXNWHRSA-N 282.304 -0.967 50 20 CBGD O=C(CO[C@H]1CCOC1)NNC(=O)NCC1CC1 1339909590 XSEIJDSAWQKQBZ-VIFPVBQESA-N 257.290 -0.468 50 20 CBGD COC(=O)c1cccc(C=NNC(=O)CS(C)(=O)=O)c1 1351651323 NMBRQLOHYIKBPZ-UHFFFAOYSA-N 298.320 -0.032 50 20 CBGD C[C@@H](NC(=O)NNC(=O)c1ccc[nH]1)c1nnnn1C 1527970284 XUEHJPZWPJAKGK-ZCFIWIBFSA-N 278.276 -0.757 50 20 CBGD C[C@@H](C(=O)O)C(=O)NNC(=O)c1cccc(F)n1 1573590376 DGTJKPXXPHMFFI-RXMQYKEDSA-N 255.205 -0.298 50 20 CBGD CCO/C=C(\C#N)C(=O)NNC(=O)C1CCNCC1 1578099666 HRCRIVSCSSTYSG-CSKARUKUSA-N 266.301 -0.423 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(C(=O)O)cc2)N1 1602638254 NDWKJWRIRZFMRB-VIFPVBQESA-N 291.263 -0.576 50 20 CBGD C=C(CCC(=O)O)C(=O)NNC(=O)c1ccnnc1 1602784019 MHKHSKKQZMNHJH-UHFFFAOYSA-N 264.241 -0.341 50 20 CBGD CCOC(=O)C1=CC[C@H](NC(=O)NNC(=O)C(=O)O)C1 1605522960 XFSNTAUBFAECJQ-ZETCQYMHSA-N 285.256 -0.947 50 20 CBGD CN(NC(=O)CCn1c(=O)n(C)c2ccccc21)C(N)=O 182654193 CNVQJOSOOFDKJH-UHFFFAOYSA-N 291.311 -0.228 50 20 CBGD CN(C)C[C@@](C)(O)CNS(=O)(=O)CBr 227981867 SFFPBJWFCLINIK-ZETCQYMHSA-N 289.195 -0.429 50 20 CBGD COc1ccnc(NNC(=O)[C@@H](C)N2CCN(C)CC2)n1 263719380 WMDKDCZEYRCEPY-SNVBAGLBSA-N 294.359 -0.436 50 20 CBGD O=C(NNC(=O)C1CCC1)N[C@H]1CCCCNC1=O 264697080 GDCASQWBHSEUFV-VIFPVBQESA-N 268.317 -0.214 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cnn(C)c1 276497981 BTJNLUJPMZODOT-UHFFFAOYSA-N 284.316 -0.030 50 20 CBGD CCCN1C[C@H](C(=O)Nc2cccc(B(O)O)c2)CC1=O 584912590 SHPARVCPOROKAI-SNVBAGLBSA-N 290.128 -0.437 50 20 CBGD CN(C)[C@@H](CNC(=O)c1cccc(B(O)O)c1)C1CC1 584932105 GNRWTMNPDNROKS-ZDUSSCGKSA-N 276.145 -0.564 50 20 CBGD CS[C@@H]1CC[C@@H]1NC(=O)c1cccc(B(O)O)c1 584960309 QCTKLIMCAZANJX-WDEREUQCSA-N 265.143 -0.010 50 20 CBGD C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H](C(N)=O)C1 584975312 VSTAUWLNYHZWPO-BXKDBHETSA-N 290.128 -0.908 50 20 CBGD CCN(CCNCc1ccc(B(O)O)cc1)C1CC1 585020826 KLYFNLMEMWIQNL-UHFFFAOYSA-N 262.162 -0.060 50 20 CBGD OB(O)c1cccc(CN[C@H]2COc3ccccc3[C@@H]2O)c1 585040242 CVVXNWJCFGCWKA-HOCLYGCPSA-N 299.135 -0.049 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)o1)C1(S(C)(=O)=O)CC1 585041107 UDHIJVYAPXZQNN-MRVPVSSYSA-N 287.146 -0.985 50 20 CBGD OB(O)c1ccc(CNCc2nc(C3CC3)n[nH]2)cc1 585043336 KNDRUZFWNIVLKU-UHFFFAOYSA-N 272.117 -0.348 50 20 CBGD CO[C@@H](C1CC1)[C@@H](C)NCc1ccc(B(O)O)o1 585045009 ZCTHUKINKBLSPL-PRHODGIISA-N 253.107 -0.138 50 20 CBGD C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](B(O)O)C1 585070067 VVPBZFRCSAGXSG-IUCAKERBSA-N 270.138 -0.388 50 20 CBGD CC(=O)NNC(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc12 728204143 VTOQZUZNEVJYNO-SSDOTTSWSA-N 289.295 -0.152 50 20 CBGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)c2c[nH]nc2C)C1 746166943 JHFNUTGMZWUYBP-VIFPVBQESA-N 293.327 -0.262 50 20 CBGD CC[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)N(CC)CC 746185038 FJDXYWRJNDNPKB-NSHDSACASA-N 298.387 -0.123 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H](C)c1cnn(C)c1 749923757 NDNYHHGHFOERTA-VIFPVBQESA-N 283.332 -0.110 50 20 CBGD O=C(NN=C1CCS(=O)CC1)C(=O)N1CCCC1 761813652 ZVHDMSVAMPNLHJ-UHFFFAOYSA-N 271.342 -0.377 50 20 CBGD COCC(=O)NN=Cc1c(CO)cnc(C)c1O 761819666 YSWQTXMUARUJEQ-UHFFFAOYSA-N 253.258 -0.316 50 20 CBGD CCOc1ccccc1NC(=O)C(=O)NNC(=O)CO 764422258 WVFKJBZXNKONLR-UHFFFAOYSA-N 281.268 -0.837 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCN(C)C2=O)n1 771888462 NKARJGANFZIMBT-JTQLQIEISA-N 293.327 -0.874 50 20 CBGD COCC(=NNC(=O)NCC(=O)OC)C1CCOCC1 780243603 VGMXHXYHAZDWJX-UHFFFAOYSA-N 287.316 -0.112 50 20 CBGD CCCNC(=O)NNC(=O)c1cncc(OC)n1 790514161 QHRBAUIUZLMWRP-UHFFFAOYSA-N 253.262 -0.161 50 20 CBGD Cn1nncc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 798344001 WURKVEFLPARXSW-UHFFFAOYSA-N 290.239 -0.202 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C[C@H]1CCCC(=O)N1 809670933 SEEAOHFJQYDODH-MRVPVSSYSA-N 279.300 -0.462 50 20 CBGD COCCO[C@H](C)C(=O)NN=Cc1ccn(C)n1 814865665 VUCVLJKVCCXILJ-SECBINFHSA-N 254.290 -0.078 50 20 CBGD CCOC(=O)c1ccc(C(=O)NNC(=O)NC)nc1 815100274 COTMDFFHDRFMHI-UHFFFAOYSA-N 266.257 -0.168 50 20 CBGD C[C@H](O)CN1CCN(S(=O)(=O)CCl)[C@@H](C)C1 820796411 JDGKPEHWKNQKMH-IUCAKERBSA-N 270.782 -0.101 50 20 CBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H](C)O 822234432 SUQWQULLSSRGMA-MRVPVSSYSA-N 262.269 -0.215 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)[C@H]3C[C@H]3C(=O)O)nc21 833061291 CELDWLJMXGFMMB-CRCLSJGQSA-N 292.255 -0.767 50 20 CBGD CCOC(=O)[C@@H](CC)C(=O)NNC(=O)CN(C)C 839638454 IWGOZWQNDDARQY-QMMMGPOBSA-N 259.306 -0.715 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)COCC1CC1 843646395 QBDRGMUXDJJFOX-WPRPVWTQSA-N 256.302 -0.015 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)COC1CCOCC1 843650307 AZAUNSUEYURDFL-MWLCHTKSSA-N 286.328 -0.246 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc2cccnn12 846276849 XTXUPYFBXSVMCV-RKDXNWHRSA-N 289.295 -0.085 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2CC[C@H]2C(N)=O)n1 847542005 MQHBIGIBJUMEIT-HTQZYQBOSA-N 279.300 -0.252 50 20 CBGD CN1C(=O)CC[C@H]1CC(=O)NNC(=O)c1ncccn1 854953534 UZFMYXFAYFEOGL-QMMMGPOBSA-N 277.284 -0.752 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 858782037 LEJZUPNNHLGDMC-QMMMGPOBSA-N 294.315 -0.877 50 20 CBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)CC(F)(F)F 862059047 VDWPLSMIPLUVDC-ZETCQYMHSA-N 269.223 -0.143 50 20 CBGD C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862461286 JKTNFWHSRVZSFJ-PYHGXSLLSA-N 269.301 -0.774 50 20 CBGD CCN1C[C@@H](C(=O)NNC(=O)c2cn[nH]c2)CC1=O 862473603 WSBMKTVTOWXDMQ-ZETCQYMHSA-N 265.273 -0.961 50 20 CBGD C[C@H](O)CN(C)NC(=O)C1(n2cnnn2)CCCCC1 910140789 NEFKBBBWCGQANA-JTQLQIEISA-N 282.348 -0.324 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cccc2c1OCO2 917938762 LAVIIFIGDAKYRJ-UHFFFAOYSA-N 293.279 -0.299 50 20 CBGD CC(=NNC(=O)CN1CCCC1=O)c1cnn(C)c1 920827761 NRURPZRLNLUWFF-UHFFFAOYSA-N 263.301 -0.117 50 20 CBGD O=C(NCc1ccco1)NNS(=O)(=O)c1cnc[nH]1 1116102818 JVYNHEHOIVHFCR-UHFFFAOYSA-N 285.285 -0.305 50 20 CBGD Cn1c(=O)oc2cc(C=NNC(=O)C(N)=O)ccc21 1116760360 GKRPESPLIYIQAC-UHFFFAOYSA-N 262.225 -0.933 50 20 CBGD COCCOCC(=O)NN=Cc1ccc(C)nn1 1119072294 DPSISGMUHVLPPV-UHFFFAOYSA-N 252.274 -0.102 50 20 CBGD C#CCOCCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1261453872 RFTUYZSRATZSGG-VHSXEESVSA-N 269.301 -0.608 50 20 CBGD CCS(=O)(=O)CC(=O)NNC(=O)Cc1cccnc1 1318318398 MVTSMZBKPSYAJQ-UHFFFAOYSA-N 285.325 -0.794 50 20 CBGD Cc1ccnc(O)c1C(=O)NNC(=O)C(=O)NC(C)C 1319917162 JIVOBNGFEJXGQB-UHFFFAOYSA-N 280.284 -0.619 50 20 CBGD O=C(CCc1ccc(O)nc1)NNC(=O)N1CCOCC1 1320944431 WPGYZNIKNAVSSH-UHFFFAOYSA-N 294.311 -0.207 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@H]1CCc2nncn2C1 1327790554 XBZFGAUQLYKWOC-VIFPVBQESA-N 278.316 -0.419 50 20 CBGD O=C(CN1C(=O)CNC1=O)NCC(Cl)Cl 1329089918 VABKNGQUQUANSQ-UHFFFAOYSA-N 254.073 -0.542 50 20 CBGD O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H](B(O)O)C1 1329670598 BRGUUMIQQRIJKN-LURJTMIESA-N 254.007 -0.123 50 20 CBGD CS(=O)(=O)C1(C(=O)N2CC[C@H](B(O)O)C2)CCC1 1331827568 QKUPQHAHXZHUDF-QMMMGPOBSA-N 275.135 -0.971 50 20 CBGD CC(C)NC(=O)NNC(=O)c1cnc2c(c1)nnn2C 1337753726 VBTQXHGMKSZIOT-UHFFFAOYSA-N 277.288 -0.284 50 20 CBGD N#Cc1cccc(C(=O)NNS(=O)(=O)c2cnc[nH]2)c1 1339296294 DEQZZXMPZNESFZ-UHFFFAOYSA-N 291.292 -0.095 50 20 CBGD COCCONC(=O)NNC(=O)C1CCOCC1 1349787543 LDRMSQISNCMOOP-UHFFFAOYSA-N 261.278 -0.679 50 20 CBGD CS(=O)(=O)SCCNC(=O)[C@@H]1[C@@H](N)[C@H]2C=C[C@H]1C2 1574059507 MZVNJFUSVNVZPM-XKNYDFJKSA-N 290.410 -0.055 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1occc1C(=O)O 1596463084 OCLIOXZTGYLLHP-UHFFFAOYSA-N 291.285 -0.168 50 20 CBGD Cn1nnc(CNC(=O)NNc2cccc(C(=O)O)c2)n1 1601040583 LFXZYSNPDLOCJR-UHFFFAOYSA-N 291.271 -0.265 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C(=O)O)C1CC1 1603545057 XOVVUUVMXJDICO-SECBINFHSA-N 299.327 -0.451 50 20 CBGD CCN(CC)CC(=O)NNC(=O)c1c[nH]nc1C 110761772 UISILFCNLXDHDG-UHFFFAOYSA-N 253.306 -0.179 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCS(=O)CC1 111223779 KFHQBBXMMAMJFS-SNVBAGLBSA-N 289.401 -0.367 50 20 CBGD CC(=O)Nc1ccc(CC(=O)NNC(=O)CN(C)C)cc1 113423912 LXNUQUSANAWPAL-UHFFFAOYSA-N 292.339 -0.104 50 20 CBGD C[C@@H](O)C(=O)NNC(=O)c1cccc(N(C)C)c1 136135661 QSNOTDKHORJHPM-MRVPVSSYSA-N 251.286 -0.106 50 20 CBGD O=C(CO)NNC(=O)C1(c2cccc(F)c2)CC1 180963408 MOMAXFABUDTJQN-UHFFFAOYSA-N 252.245 -0.003 50 20 CBGD COC(=O)c1cccc(NNC(=O)[C@H](C)NC(N)=O)c1 272815733 LVEQQPYFEYXWKD-ZETCQYMHSA-N 280.284 -0.027 50 20 CBGD COC(=O)NNC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C 274289478 MCCDAYVMYBDJPJ-UHFFFAOYSA-N 293.283 -0.431 50 20 CBGD CCOC(=O)NCC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 293973979 SEEFKLXURHPAAA-YUMQZZPRSA-N 273.289 -0.553 50 20 CBGD CN1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584925252 RODSPVDQNOCZDT-UHFFFAOYSA-N 280.108 -0.717 50 20 CBGD CN(CCN1CCCC1)C(=O)c1cccc(B(O)O)c1 584941813 CCJZHIXBKRBVRL-UHFFFAOYSA-N 276.145 -0.466 50 20 CBGD C[C@H](O)C[C@@H](C)CNC(=O)c1cc(B(O)O)ccc1F 584948152 AEHRBDKDSXUUIH-BDAKNGLRSA-N 283.108 -0.358 50 20 CBGD CN(C[C@@H]1CCC[C@@H]1O)C(=O)c1ccc(B(O)O)c(F)c1 584966622 GOBIHPFYCUIOQV-GWCFXTLKSA-N 295.119 -0.262 50 20 CBGD C[C@H]1CN(CCNCc2ccc(B(O)O)cc2F)CCO1 585022638 UJUAYODRIPEHCC-NSHDSACASA-N 296.151 -0.684 50 20 CBGD C[C@@H](CCN1CCOCC1)NCc1ccccc1B(O)O 585032386 GYACKAPEACMTTA-ZDUSSCGKSA-N 292.188 -0.433 50 20 CBGD CCO[C@@H]1C[C@@H](NCc2ccccc2B(O)O)[C@H]1OC 585035792 YTVAEBRJGQUYLA-MGPQQGTHSA-N 279.145 -0.352 50 20 CBGD O=C1CC[C@@H](NCc2ccc(B(O)O)o2)[C@H](C2CC2)N1 585041717 GCGNEBKVWRJQRH-MFKMUULPSA-N 278.117 -0.894 50 20 CBGD Cc1cccc(OCC(=O)NNC(=S)NCC(N)=O)c1 727065087 SZXWUMFQOLEMGG-UHFFFAOYSA-N 296.352 -0.646 50 20 CBGD CCOC(=O)CN(CC)CC(=O)NNC(=O)C1CC1 733194788 NTHZWJOJGZFATG-UHFFFAOYSA-N 271.317 -0.571 50 20 CBGD CS(=O)(=O)NNC(=O)COCc1ccccc1 737756504 OROHBKVHUJAJMO-UHFFFAOYSA-N 258.299 -0.216 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)c2cccc(C#N)c2)C1 746218275 VIWWIOMMKHKAJR-GFCCVEGCSA-N 288.307 -0.350 50 20 CBGD CC[C@@H](COC)NC(=O)NNC(=O)[C@@H](C)OCCOC 748630355 GPDSNILSOXDTPE-ZJUUUORDSA-N 291.348 -0.207 50 20 CBGD Cc1cc(C(=O)NNC(=O)Nc2nn(C)cc2C#N)n[nH]1 756866991 ZBTAZHBHDAQBIP-UHFFFAOYSA-N 288.271 -0.210 50 20 CBGD CC(C)OCC(=O)NNc1ccc(C(N)=O)nn1 757393527 ZOMHTONZWFIIDN-UHFFFAOYSA-N 253.262 -0.556 50 20 CBGD O=C(CN1CSCC1=O)NNc1ncccc1[N+](=O)[O-] 759284913 BREPAQAJEVLEJE-UHFFFAOYSA-N 297.296 -0.034 50 20 CBGD COc1nccnc1NNC(=O)[C@H]1CCC(=O)NC1 764459871 DUAJTOFQSCERAM-ZETCQYMHSA-N 265.273 -0.546 50 20 CBGD CC(=O)Nc1ccc(C(=O)NNC(=O)CO)cc1F 765904015 HRJNVOAFBJIAII-UHFFFAOYSA-N 269.232 -0.463 50 20 CBGD O=C(NCc1nnnn1CC1CC1)NNc1cccnn1 770508214 WHHJBAGOLLDOGI-UHFFFAOYSA-N 289.303 -0.301 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H](C)[C@@H]1CCOC1 771813099 QULZUQUIRWOENS-LPEHRKFASA-N 257.334 -0.053 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)NCC2CC2)C1=O 772422525 FWODCPSDWXVQCY-MRVPVSSYSA-N 254.290 -0.795 50 20 CBGD Cc1cc(C(=O)NNC(=O)Nc2ccnn2C)n[nH]1 775752263 GJRXGJWYIWUXBT-UHFFFAOYSA-N 263.261 -0.082 50 20 CBGD CC(C)CS(=O)(=O)CCC(=O)NN(C)C(N)=O 778414758 KKLNQXYBOCVRFW-UHFFFAOYSA-N 265.335 -0.511 50 20 CBGD CN1CCN(CC(=O)NNc2nccnc2Cl)CC1=O 781931756 BKVYUDYRLOASHC-UHFFFAOYSA-N 298.734 -0.653 50 20 CBGD Cn1nccc1COCC(=O)NNC(=O)NCC1CC1 785954195 CXRBCPYTVOUNQD-UHFFFAOYSA-N 281.316 -0.323 50 20 CBGD Cn1ncc(C(=O)NNC(=O)Cc2ccccc2F)n1 786119860 JMHKAVQRHWWWII-UHFFFAOYSA-N 277.259 -0.042 50 20 CBGD CSCCNC(=S)NNC(=O)c1cnn(C)n1 786504920 FYJXFTVFRHRVRK-UHFFFAOYSA-N 274.375 -0.713 50 20 CBGD COC/C=C/C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 792853328 DBULNWMYLPSUEI-ORAHPGNNSA-N 276.358 -0.319 50 20 CBGD CC[C@@H](CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1)OC 812594545 GUGSSNJLQCHCND-GXSJLCMTSA-N 293.389 -0.208 50 20 CBGD COCCCNC(=O)NNC(=O)c1cnn2c1OCCC2 814626752 QUCVKUORLXCBRS-UHFFFAOYSA-N 297.315 -0.354 50 20 CBGD O=C(CC1CC1)NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 819118088 MVGHUSPTTNGBJF-SECBINFHSA-N 291.311 -0.290 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCc2cncn2C1 821218288 XHXPUSZJIKBGRN-UWVGGRQHSA-N 252.318 -0.211 50 20 CBGD COc1ccnc(NNC(=O)C2(n3cnnn3)CC2)n1 821481913 UAOPPXUHVLXULG-UHFFFAOYSA-N 276.260 -0.896 50 20 CBGD CC(=NNC(=O)N1CCOCC1)c1cn(CC(=O)O)nn1 825798224 DAFHFWAIJAFELG-UHFFFAOYSA-N 296.287 -0.872 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](C)N[C@H](C)C1 843352309 YUMWDVYOTGQHFS-AEJSXWLSSA-N 256.350 -0.386 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843647635 UFQCSEMPNIGMBA-YUMQZZPRSA-N 273.289 -0.743 50 20 CBGD Cc1[nH]nc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1[N+](=O)[O-] 843976749 YULWXLBXZRFGLL-BQBZGAKWSA-N 297.271 -0.188 50 20 CBGD CC(C)C(=O)NNC(=O)[C@H](C)n1cnc2c(N)ncnc21 854213897 NTOQVEBBKWPVPY-ZETCQYMHSA-N 291.315 -0.227 50 20 CBGD CN1C(=O)CC[C@H]1CC(=O)NNC(=O)c1cc[nH]n1 855355489 ZDRLSJIFNQRTQJ-ZETCQYMHSA-N 265.273 -0.818 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H](C)[C@H]1CCC(=O)N1 858125712 LNPUMQFFIVYTNK-HTQZYQBOSA-N 270.358 -0.418 50 20 CBGD CC(C)[C@@H]1C[C@H]1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858518158 MERYJXHAHKGLSO-LPEHRKFASA-N 282.344 -0.113 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(O)c1 862451655 PBVJRPJRSMPPHT-SECBINFHSA-N 293.279 -0.560 50 20 CBGD N#CCc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 862457158 BUEMJXQPAYFIOI-NSHDSACASA-N 286.291 -0.208 50 20 CBGD Cc1ncc2n1C[C@@H](C(=O)NNC(=O)c1cn[nH]c1)CC2 862469723 AWRSYYONBSMLRC-VIFPVBQESA-N 288.311 -0.062 50 20 CBGD Cc1cc(=NNC(=O)[C@@H]2CN3CCCN2CC3)cc[nH]1 862514864 ZMZUWWOAWVUYJG-ZDUSSCGKSA-N 275.356 -0.355 50 20 CBGD CCCC[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)OC 863878503 GXWGKHVYRNDIRV-LBPRGKRZSA-N 293.128 -0.172 50 20 CBGD COCCOCC(=O)NNC(=S)NCC(F)(F)F 865244378 OCFDETZACVNTNM-UHFFFAOYSA-N 289.279 -0.293 50 20 CBGD N#C[C@@H]1CN(S(=O)(=O)NCC(Cl)Cl)CCO1 867470820 SKBPWDPKPWYNFN-ZCFIWIBFSA-N 288.156 -0.151 50 20 CBGD CC1=C(C(=O)NN(C)C[C@@H](C)O)[C@H](C)n2nnnc2N1C 910144804 NIXZIKDBBAKMAG-APPZFPTMSA-N 295.347 -0.698 50 20 CBGD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(C)=O)ccc21 912694030 NOFPPOGHTBZZCD-UHFFFAOYSA-N 290.279 -0.509 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1cccnc1O 920433435 DPWSSPONNUSFGJ-UHFFFAOYSA-N 278.268 -0.829 50 20 CBGD COCCOCCCCNC(=O)NNC(=O)c1cn[nH]c1 1118859473 BACBKDHSMOFRBM-UHFFFAOYSA-N 299.331 -0.203 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1C=C[C@H](CO)C1 1261452426 CIPVBVRCYPWLCC-YTWAJWBKSA-N 283.328 -0.321 50 20 CBGD Cc1[nH]c(C#N)cc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1261830242 PENZORSJEZZWNV-SECBINFHSA-N 275.268 -0.766 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)on1 1261830506 ZFPBWDAAKCKYTC-ZCFIWIBFSA-N 252.230 -0.977 50 20 CBGD O=C(CCC(F)(F)F)NNC(=O)C(=O)NC1CC1 1322122190 MTLPCFJYTVXXRP-UHFFFAOYSA-N 267.207 -0.245 50 20 CBGD CCNC(=O)NNC(=O)c1cnn2c1OCCC2 1324241176 MDJYBRGLZAUUEV-UHFFFAOYSA-N 253.262 -0.371 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NC1CCOCC1 1326732594 ILRKALPBOHLVOK-SCZZXKLOSA-N 271.317 -0.079 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccn(-c2ccccc2)n1 1327052570 JCECOIYICBIHGN-UHFFFAOYSA-N 287.279 -0.022 50 20 CBGD N#Cc1cccc(-c2nn[nH]n2)c1N1CC[C@H](B(O)O)C1 1592698169 LZMPMIMSSGDUEV-VIFPVBQESA-N 284.088 -0.209 50 20 CBGD Cn1cc(C(=O)NN[C@H](C(=O)O)c2cccnc2)nn1 1600931968 HWIYWQCXYCZUTB-VIFPVBQESA-N 276.256 -0.730 50 20 CBGD O=C1CC[C@H](C(=O)NN[C@H](C(=O)O)c2ccc(F)cc2)N1 1602637929 IOGCQWSOFYAROK-KOLCDFICSA-N 295.270 -0.149 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)N2CCO[C@@H](C(=O)O)C2)cn1 1608108912 FXRXCLORKCXCBL-LLMHMKPQSA-N 290.279 -0.361 50 20 CBGD C[C@]1(NNC(=O)NCc2cccnc2)CCS(=O)(=O)C1 42895088 SLQKZEIERVBTBZ-LBPRGKRZSA-N 298.368 -0.037 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cccc2nsnc12 48962097 NHYANAYZGVSLGP-UHFFFAOYSA-N 287.326 -0.186 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCCC2=O)cc1 60795606 QOJWTWCUBSEJBE-UHFFFAOYSA-N 286.291 -0.058 50 20 CBGD CN1C(=O)C[C@H](NS(=O)(=O)CCCCl)C1=O 114650948 YDUXYKPLBKSNMT-LURJTMIESA-N 268.722 -0.708 50 20 CBGD Cn1cc(C(=O)NNC(=O)COCC(F)(F)F)cn1 117680613 NOOVSMRMTRQOPK-UHFFFAOYSA-N 280.206 -0.240 50 20 CBGD CC(C)(O)CC(=O)NNc1ncnc2nc[nH]c12 280494097 HHEPIHJXTIYBBG-UHFFFAOYSA-N 250.262 -0.043 50 20 CBGD C[C@H]1CN(S(=O)(=O)CBr)CC(=O)N1 306860688 DXZXEBMVUUYWNC-YFKPBYRVSA-N 271.136 -0.511 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)Cc2ccncc2)C1 364342020 HOICKHUIEZMDSN-LBPRGKRZSA-N 292.339 -0.508 50 20 CBGD CCOCC(=O)NNC(=O)CNC(=O)OC(C)(C)C 494741976 IUXBKXPETDQXTL-UHFFFAOYSA-N 275.305 -0.305 50 20 CBGD COC(=O)N(C)NC(=O)c1ccc(S(N)(=O)=O)s1 495763186 QWOWOECDUBSVHQ-UHFFFAOYSA-N 293.326 -0.262 50 20 CBGD CCOCCO[C@H](C)C(=O)Nc1cccc(B(O)O)c1 584911277 UGODQTQWTDDCOA-SNVBAGLBSA-N 281.117 -0.254 50 20 CBGD C[C@H](C#N)CNC(=O)c1ccc(B(O)O)c(F)c1 584941170 FPSHETGIBMLPJN-SSDOTTSWSA-N 250.038 -0.605 50 20 CBGD C[C@H](C[S@](C)=O)NC(=O)c1cc(B(O)O)ccc1F 584972729 FSEYXKXMXUKBFB-XJZHNMMOSA-N 287.121 -0.998 50 20 CBGD O=C(N[C@H]1C[C@@H]1C(F)F)c1cccc(B(O)O)c1 584989546 FUTCEGTXOQRNPA-IUCAKERBSA-N 255.029 -0.250 50 20 CBGD CN1CC[C@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 584990428 DCTNSVDUPRSKJK-ZIAGYGMSSA-N 288.156 -0.325 50 20 CBGD CCN(C[C@H](C)OC)C(=O)c1cccc(B(O)O)c1 584993107 VZGOHOFEDDBCFA-JTQLQIEISA-N 265.118 -0.137 50 20 CBGD COc1cccc([C@@H](CO)NCc2ccc(B(O)O)o2)c1 585024795 CXWDNBYXZJYHFU-CYBMUJFWSA-N 291.112 -0.209 50 20 CBGD OB(O)c1ccc(CNCc2nc([C@@H]3CCCO3)n[nH]2)o1 585045831 NNFDGSLYABRRAC-VIFPVBQESA-N 292.104 -0.781 50 20 CBGD OB(O)c1ccccc1CNC[C@H]1CCN1C1CC1 585049080 BETPTUVQGAODQY-CYBMUJFWSA-N 260.146 -0.307 50 20 CBGD CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NCB(O)O 585059583 SXLBCWHIENTMKS-SFYZADRCSA-N 274.151 -0.938 50 20 CBGD CCC(CC)(C(=O)O)C(=O)N1CC[C@H](B(O)O)C1 585063681 FLFSBEKTVIEZEM-QMMMGPOBSA-N 257.095 -0.047 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)COc2ccccc2O)CC1 731640372 ZGLABICHHJPWEK-UHFFFAOYSA-N 293.279 -0.816 50 20 CBGD CN1CC(=O)N(CCCC(=O)NNC(=O)C2CCC2)C1=O 732142976 NYUXZDQZNWQXOS-UHFFFAOYSA-N 296.327 -0.392 50 20 CBGD O=C(NC[C@H]1CN2CCC[C@H]2CO1)NNC(=O)C1CCC1 732245710 FKWOVDCYBPYDKD-RYUDHWBXSA-N 296.371 -0.020 50 20 CBGD CCOCC(=O)NNC(=O)NCCN1CCSCC1 732891724 GDHCWLQMRCMPOX-UHFFFAOYSA-N 290.389 -0.598 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 733776601 NVBHNHLNBLAFSW-OPRDCNLKSA-N 271.317 -0.079 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(C(=O)O)cn1 738828230 TXCOKFPWNMFZDK-UHFFFAOYSA-N 289.251 -0.114 50 20 CBGD COc1ccnc(NNC(=O)C[C@H]2SC(=N)NC2=O)n1 742528779 BRWIOYWBTYITKJ-RXMQYKEDSA-N 296.312 -0.515 50 20 CBGD CC(C)CONC(=O)NN[C@]1(C)CCS(=O)(=O)C1 750460904 OWAGQYQRLCVRTF-SNVBAGLBSA-N 279.362 -0.045 50 20 CBGD Cc1ccc(C(=O)NNC(=O)Cn2cnc([N+](=O)[O-])n2)o1 752781368 XHULNNUGQMLDAD-UHFFFAOYSA-N 294.227 -0.451 50 20 CBGD CN(CC(=O)NNC(=O)Cc1cc[nH]n1)[C@@H]1CCSC1 755275515 HSSDSLRGSJBDQA-SNVBAGLBSA-N 297.384 -0.463 50 20 CBGD O=C(CNC(=O)c1cccnc1)NN=Cc1ncc[nH]1 763197814 AAFHAFRWCMTOSN-UHFFFAOYSA-N 272.268 -0.315 50 20 CBGD COc1ccc(NNC(=O)CNC(N)=O)c([N+](=O)[O-])c1 768332287 SDOVBFZZAKGLLV-UHFFFAOYSA-N 283.244 -0.285 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(C)COC1 772264230 AZWBDIKUCRTUKT-SSDOTTSWSA-N 258.274 -0.488 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1ccccn1 777474421 BSZLHFXRXROXKF-ZETCQYMHSA-N 258.303 -0.538 50 20 CBGD CCNC(=O)NNS(=O)(=O)N1CC[C@@H](C)C1 777925621 FEQFTMKVNVCXNB-SSDOTTSWSA-N 250.324 -0.603 50 20 CBGD CNC(=O)CCCC(=O)NNC(=S)NCCSC 780986900 GWBOIZZTMAFYJD-UHFFFAOYSA-N 292.430 -0.239 50 20 CBGD COc1ccc(NNC(=O)CS(C)(=O)=O)nc1 781522158 MIDVRDIXCHKWMK-UHFFFAOYSA-N 259.287 -0.422 50 20 CBGD Cn1cnn(CC(=O)NNc2ncncc2Cl)c1=O 781815797 YGYGSMMZDHUVJH-UHFFFAOYSA-N 283.679 -0.832 50 20 CBGD CSC1(C(=O)NNC(=O)C(=O)NC(C)C)CCC1 786733003 UGSLPVWAHJVEIR-UHFFFAOYSA-N 273.358 -0.056 50 20 CBGD COC(=O)CNC(=O)NN=C(C)c1cc(OC)no1 814900905 NKINOWKJMYOGEJ-UHFFFAOYSA-N 270.245 -0.121 50 20 CBGD COc1cc(CCC(=O)NN(C)[C@H](C)CO)on1 823913528 WELSHYWDEMSSQS-MRVPVSSYSA-N 257.290 -0.040 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H](O)Cc1ccccc1 823928959 SWBSUXKSKVGTJV-PWSUYJOCSA-N 252.314 -0.066 50 20 CBGD CN(C)c1nc(N)nc(C(=O)NNC(=O)C2CCC2)n1 846634262 OVLKGAONDJTWRF-UHFFFAOYSA-N 279.304 -0.919 50 20 CBGD C=C[C@H](CO)NCC(=O)NNC(=O)Cc1nc(C)cs1 852714170 BPZQCWHHDNJPSC-SECBINFHSA-N 298.368 -0.722 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CCCCS1(=O)=O 854922457 LNDHAUQHDNYEQQ-SSDOTTSWSA-N 279.387 -0.579 50 20 CBGD CCNC(=O)CC(=O)NNC(=S)N[C@H](C)C1CC1 855100278 YHXGYCDCLYQNCG-SSDOTTSWSA-N 272.374 -0.194 50 20 CBGD O=C(NN=c1cc[nH]cc1Cl)[C@]1(O)CCOC1 857488885 YFVNYNDUJDCCHE-JTQLQIEISA-N 257.677 -0.249 50 20 CBGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2cn[nH]c2)[C@H]1OC 858371997 LDQFSSCZPPAYEF-IVZWLZJFSA-N 297.315 -0.454 50 20 CBGD CCNC(=O)NNC(=O)[C@@H](CC(C)C)NC(C)=O 858782685 VSAKPLARCIJKAV-SECBINFHSA-N 258.322 -0.113 50 20 CBGD CN1CCC(CC(=O)NNC(=O)c2cn[nH]c2)CC1 862471261 XVXRHHXBLSSVPO-UHFFFAOYSA-N 265.317 -0.097 50 20 CBGD CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)CS(C)(=O)=O 863464971 NMYGTWJGPCZCSP-QMMMGPOBSA-N 293.389 -0.655 50 20 CBGD CN(CCNCc1cccc(B(O)O)c1)CC(F)F 863892118 NFPWISASEQLMAR-UHFFFAOYSA-N 272.104 -0.347 50 20 CBGD COCCOCC(=O)NNC(=O)c1cc(C)nn1C 869908916 BOJWDBHNJYOMJD-UHFFFAOYSA-N 270.289 -0.847 50 20 CBGD CO[C@H]1CN(CC(=O)NNC(=O)c2cccs2)CCO1 878967263 OAGVQXXUBXCYAQ-LLVKDONJSA-N 299.352 -0.186 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cccc(F)c1O 894134805 TVCMVLUAAOXSSO-UHFFFAOYSA-N 255.249 -0.146 50 20 CBGD CN1CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)[C@@H](CO)C1 912737609 QKSIEUFSOHFLPP-QWGHSUKYSA-N 289.339 -0.538 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)N[C@H]2C(=O)NCC2(C)C)cn1 914434780 RIIOIUQCVTVJFZ-FGUAACIASA-N 287.323 -0.032 50 20 CBGD O=C(NNC(=O)[C@H]1COCCO1)c1ccncc1 915059526 WVEDZTXQOHQHBE-SECBINFHSA-N 251.242 -0.742 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H]1COCO1 923842936 KOTCQARVPCJVOG-CIUDSAMLSA-N 273.289 -0.885 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H]2CO)c1 934015711 ASFNWUXTYFRRJN-GFCCVEGCSA-N 277.324 -0.177 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(C)C2)cc1 1115837389 HRDJLNKWBPVTTJ-JTQLQIEISA-N 291.307 -0.066 50 20 CBGD Cn1nnc2cc(NC(=O)NNC(=O)CCO)ccc21 1118201430 WGVVPPUPQHIXSL-UHFFFAOYSA-N 278.272 -0.497 50 20 CBGD CN(CCO)C(=O)C(=O)NC[C@]1(C)C[C@H]1Br 1118819189 DTNLHLLNVNXXJX-XCBNKYQSSA-N 293.161 -0.273 50 20 CBGD C[C@@H](C(=O)NNC(=O)NC1CC1)N1C(=O)CCC1=O 1251551623 DDXZNPKVFYHXSJ-LURJTMIESA-N 268.273 -0.983 50 20 CBGD Cc1cc(C)c(C(=O)NNC(=O)C(=O)NC2CC2)[nH]1 1252957291 ZXDMPVQFJCZHGQ-UHFFFAOYSA-N 264.285 -0.329 50 20 CBGD COC(=O)NNC(=O)c1cccc(CS(N)(=O)=O)c1 1254945665 UQBIOKQLQWXBCY-UHFFFAOYSA-N 287.297 -0.524 50 20 CBGD Cc1nn[nH]c1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1261500815 HLXHYUSANJNYFY-NKWVEPMBSA-N 253.262 -0.701 50 20 CBGD COCCO[C@H](C)C(=O)NN=Cc1cnc(N)nc1 1319964644 NLWBUQMFIJATGB-MRVPVSSYSA-N 267.289 -0.440 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cccc(C#N)c1C 1320234342 BPKQZHSLOQJWAG-UHFFFAOYSA-N 260.253 -0.028 50 20 CBGD O=C(CCO)NNC(=O)Nc1cnn(CC2CC2)c1 1320567066 MHYAZQPZJGKBDJ-UHFFFAOYSA-N 267.289 -0.172 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc3nonc3c2)N1 1329274347 NMQMDAIECHYNLH-MRVPVSSYSA-N 289.251 -0.738 50 20 CBGD CN1CCN(CC(=O)NNc2ncnc3[nH]cnc23)CC1 1329992857 ZSKFIBLMASOARW-UHFFFAOYSA-N 290.331 -0.957 50 20 CBGD O=C(C[C@@H]1CC(=O)N1)NNC(=O)c1n[nH]c2c1CCCC2 1330136971 VBSIHJKICKJBLT-ZETCQYMHSA-N 291.311 -0.672 50 20 CBGD Cc1cc(OCC(=O)NNc2cnnn2C)no1 1331394274 VWPXHTYRVGZNDP-UHFFFAOYSA-N 252.234 -0.366 50 20 CBGD C#CCN1CCC[C@H](NCc2ccc(B(O)O)cc2)C1 1334400918 AJZODRMFTDBLNJ-HNNXBMFYSA-N 272.157 -0.446 50 20 CBGD COC(=O)c1cnc(C(=O)NNc2ncc(F)cn2)cn1 1337428418 AUOPUDDRGRSMIB-UHFFFAOYSA-N 292.230 -0.051 50 20 CBGD COc1ccc(NNC(=O)CN2CCC(=O)NC2=O)nc1 1343178576 IVASPTMWOMBHSQ-UHFFFAOYSA-N 293.283 -0.525 50 20 CBGD O=C(C[C@@H]1CCC(=O)N1)NNC(=O)OCC(F)(F)F 1347865832 OQXDOKRIKFQKEU-YFKPBYRVSA-N 283.206 -0.025 50 20 CBGD O=C(NC1(C(=O)O)CCCC1)c1cccc(B(O)O)c1 1594719898 PXNUUGVUUMLZJM-UHFFFAOYSA-N 277.085 -0.506 50 20 CBGD Cc1cc(C)n(CCCNC(=O)NNC(=O)C(=O)O)n1 1600180375 PCKRYUSHEVSFKK-UHFFFAOYSA-N 283.288 -0.695 50 20 CBGD O=C(O)c1cc(C(=O)NNC(=O)[C@H]2CCCCO2)on1 1602246750 AJNDKXOIQKNNGP-SSDOTTSWSA-N 283.240 -0.297 50 20 CBGD CN(C)c1cccc(C(=O)NNC(=O)COCC(=O)O)c1 1604091328 XZBNIXZEVIWCMD-UHFFFAOYSA-N 295.295 -0.385 50 20 CBGD O=C(O)Cn1cc(C(=O)NN=c2cc[nH]cc2Cl)nn1 1606330214 CFSKARQDGFJFDM-UHFFFAOYSA-N 296.674 -0.410 50 20 CBGD Cn1nc(C(=O)O)cc1C=NNC(=O)c1ccon1 1776106168 SPDBZZOXFIMKIC-UHFFFAOYSA-N 263.213 -0.130 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)c2ccccc2OC)CC1 67439671 NJGYZGPVMHMJHE-UHFFFAOYSA-N 291.307 -0.018 50 20 CBGD C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)CN(C)C 113425842 SBOJGBPBTGTPMS-QMMMGPOBSA-N 272.349 -0.754 50 20 CBGD Cc1cccc(C)c1NC(=O)C(=O)NNC(=O)CN(C)C 126480512 BLRUGTVDRCLXMV-UHFFFAOYSA-N 292.339 -0.049 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc(O)c(C(=O)O)c1 196570448 VVSNYJMPBFLBQD-UHFFFAOYSA-N 274.254 -0.580 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)c1ccc(C)s1 270433597 GJODYCKURDQNJG-UHFFFAOYSA-N 270.314 -0.253 50 20 CBGD CN(NC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C)C(N)=O 272235831 WLLNRWUKGNCJBT-ZETCQYMHSA-N 288.373 -0.024 50 20 CBGD COC(=O)C1(C(=O)NNC(=O)c2ccncc2)CC1 274295482 ICXTVYJXCXPTKO-UHFFFAOYSA-N 263.253 -0.204 50 20 CBGD CC(CO)(CO)CNS(=O)(=O)CCCCl 393896665 MFFIUCSFDGZKRS-UHFFFAOYSA-N 259.755 -0.474 50 20 CBGD CC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 491440812 PMRLAKNZZJEWLY-UHFFFAOYSA-N 260.294 -0.139 50 20 CBGD COC(=O)NNC(=O)CCSc1nnnn1C 495368011 WIKVZNJHMFCFFX-UHFFFAOYSA-N 260.279 -0.921 50 20 CBGD CS[C@@H](CO)[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 584962827 LBAOFTIJZKFQCN-KCJUWKMLSA-N 283.158 -0.791 50 20 CBGD C[C@H]1[C@@H](C)N(C(=O)c2ccc(B(O)O)c(F)c2)CCN1C 584970737 SFGWJAVTVZTQFO-VHSXEESVSA-N 294.135 -0.330 50 20 CBGD C[C@H](CO)N(CC1CCC1)C(=O)c1ccc(B(O)O)cc1 584973839 KFTFOVRJKRQZPT-LLVKDONJSA-N 291.156 -0.011 50 20 CBGD CCOC(C)(C)CNC(=O)c1ccc(B(O)O)cc1 584975414 CXPCDTALHZJHCQ-UHFFFAOYSA-N 265.118 -0.089 50 20 CBGD O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)c1cc(B(O)O)ccc1F 584978817 DKQBYCJZOLTROD-OASPWFOLSA-N 293.103 -0.197 50 20 CBGD CC[C@@H](NC(=O)c1ccc(B(O)O)cc1)[C@H](C)O 584998150 NGXAHHLSEFLQRJ-GZMMTYOYSA-N 251.091 -0.744 50 20 CBGD CC[C@H]1COC[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 585006145 AYMLUMWFRVJEDY-UFBFGSQYSA-N 281.092 -0.340 50 20 CBGD CC(=O)N1CCC(CCNCc2ccc(B(O)O)o2)CC1 585028457 KPGLKASAVLBHAW-UHFFFAOYSA-N 294.160 -0.302 50 20 CBGD CCc1nn(C)cc1CNCc1cccc(B(O)O)c1 585035163 QINXFBYGZJSVRG-UHFFFAOYSA-N 273.145 -0.048 50 20 CBGD CN1CCC[C@@H]1CCNCc1ccc(B(O)O)o1 585047142 IREKRCLEUUFLKX-SNVBAGLBSA-N 252.123 -0.467 50 20 CBGD O=C1CC(C(=O)NN=c2cc[nH]c3ccccc23)=NN1 732288577 DMANVNJLMJQPBN-UHFFFAOYSA-N 269.264 -0.024 50 20 CBGD C[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)N(C)C 746008699 ROEPSZHHTDVPQY-ZETCQYMHSA-N 268.273 -0.300 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@H](C)NC(C)=O)nc1 759729841 MZHUKKAHONLRDV-ZETCQYMHSA-N 280.284 -0.164 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccnn1C 766021038 QQUAMDVVDQECEI-QMMMGPOBSA-N 287.345 -0.802 50 20 CBGD COC(=O)c1c(F)cccc1S(=O)(=O)NNC(C)=O 775248292 VTYUSEMVIIMKAK-UHFFFAOYSA-N 290.272 -0.058 50 20 CBGD CN1CC[C@H](C(=O)NNc2ncnc3[nH]cnc23)C1=O 776158700 XUVWOAXITYGWBP-ZCFIWIBFSA-N 275.272 -0.726 50 20 CBGD O=C(O)COc1ccccc1C=NNC(=O)CO 776781465 DYUPGKWJXICSEW-UHFFFAOYSA-N 252.226 -0.408 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)N(C)C[C@@H](C)C#N 800111383 LKSSLGIZAAMHKS-QMMMGPOBSA-N 277.350 -0.511 50 20 CBGD CO[C@H](C)CS(=O)(=O)NNC(=O)Cc1cccnc1 800835670 AMNUDWCURDFEFK-SECBINFHSA-N 287.341 -0.390 50 20 CBGD O=C(CC1CC1)NNC(=O)[C@@]12CCC(=O)N1CCS2 819110112 UCXVZOAEUWOBOA-LBPRGKRZSA-N 283.353 -0.001 50 20 CBGD O=C(NNC1=NCC(O)=C1)c1ccc(-c2nn[nH]n2)cc1 823269748 NWAPVAGEGKYJBI-UHFFFAOYSA-N 285.267 -0.045 50 20 CBGD C[C@H](CO)N(C)NC(=O)Cn1nnc2c1CCCC2 823921895 DXFQIJQVYBERPQ-SECBINFHSA-N 267.333 -0.499 50 20 CBGD O=C(NNS(=O)(=O)C[C@H]1CCCO1)[C@@H]1CCCCO1 830034322 PEOMFBQMNRTZGK-ZJUUUORDSA-N 292.357 -0.315 50 20 CBGD COCCN(C)NC(=O)[C@@H]1CCCS(=O)(=O)C1 846122751 NZKDFZAMBDHPCF-SECBINFHSA-N 264.347 -0.579 50 20 CBGD CCS(=O)(=O)CC(C)=NNC(=O)c1cc[nH]n1 853392254 HTALQHBLIJXFGC-UHFFFAOYSA-N 258.303 -0.050 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 854926524 BHLVZSDGQAFJMZ-SSDOTTSWSA-N 270.358 -0.535 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)c1cccc(F)n1 856423367 SKBLLMVEXBNDJM-SSDOTTSWSA-N 297.290 -0.181 50 20 CBGD CCCCN(C)CCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858283100 XMLURCNOEQECSJ-JTQLQIEISA-N 299.375 -0.673 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccco1 862456877 VVBXHKJZBRCTSK-JGVFFNPUSA-N 265.269 -0.191 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N(CCO)CC(F)F 863881055 KHKQZMWMOKJMQE-UHFFFAOYSA-N 291.034 -0.795 50 20 CBGD C#CCCCC(=O)NNC(=O)CCCC(=O)NC 887147080 XBIFURYSWYPPQP-UHFFFAOYSA-N 253.302 -0.146 50 20 CBGD COC(=O)N(C)NC(=O)c1ccnn1CCN(C)C 908115797 VWAOASCSAAWMCZ-UHFFFAOYSA-N 269.305 -0.212 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CNC(=O)N1CCCC1 911503474 VFKXMLBHQCRHMJ-ZJUUUORDSA-N 298.343 -0.636 50 20 CBGD O=C1CCN(C(=O)c2cccc(B(O)O)c2)[C@H](C2CC2)C1 912185656 OVBJVEUWTQWUGQ-AWEZNQCLSA-N 287.124 -0.050 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1cc(F)c[nH]1 913733023 SQBSSFSPCHTNPR-UHFFFAOYSA-N 268.248 -0.463 50 20 CBGD CO[C@H]1CCC[C@H]1C(=O)NNC(=O)N1CCOCC1 1120683262 FEZBFLWCWYCXAO-ZJUUUORDSA-N 271.317 -0.126 50 20 CBGD Cn1ncc(C(=O)NNC(=O)NCC2CC2)c1N 1320155115 SPMPBPAPBSDTQU-UHFFFAOYSA-N 252.278 -0.644 50 20 CBGD COc1cccc(NNC(=O)C(=O)Nc2ccnn2C)n1 1320174520 NGKRWBGRUHDTCL-UHFFFAOYSA-N 290.283 -0.095 50 20 CBGD NS(=O)(=O)c1ccc(C(=O)NNc2ncccn2)cn1 1323197817 SSPBXEWYLDRRCF-UHFFFAOYSA-N 294.296 -0.724 50 20 CBGD C[S@@](=O)CCNC(=O)NNC(=O)CC(F)(F)F 1323369127 KIUMVLVNHVOZHD-QGZVFWFLSA-N 275.252 -0.352 50 20 CBGD CC(C)C(=O)NNC(=O)NC[C@H]1CCCS1(=O)=O 1326657133 OYECKULEAMYTPJ-MRVPVSSYSA-N 277.346 -0.450 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CC12CCOCC2 1332145719 SGMXGWVUNRJWKP-JTQLQIEISA-N 286.328 -0.387 50 20 CBGD Cn1c(NNC(=O)c2nc[nH]n2)nc2ccccc2c1=O 1342046111 KUETWLFDYDZADQ-UHFFFAOYSA-N 285.267 -0.192 50 20 CBGD O=C(c1nc[nH]c2nccc1-2)N1CC[C@@H](B(O)O)C1 1348490255 OJSDENRHTOHOJM-SSDOTTSWSA-N 260.062 -0.402 50 20 CBGD CCNC(=O)NNC(=O)c1cnn(CCOC)c1 1348523368 BCZZYCPYERTJSJ-UHFFFAOYSA-N 255.278 -0.507 50 20 CBGD CN(N)C(=O)c1cn(CC(=O)OC(C)(C)C)nn1 1573882712 NPHLYPPQUGYVRI-UHFFFAOYSA-N 255.278 -0.435 50 20 CBGD C=CC[C@]1(C(=O)NNC(=O)c2ncon2)CCCN1 1574897191 HNPMJWPCOFVOAB-LLVKDONJSA-N 265.273 -0.471 50 20 CBGD C=CCCC[C@@H](N)C(=O)NNC(=O)[C@H]1COCCO1 1574908395 MMXQPBUUIAQRQG-NXEZZACHSA-N 271.317 -0.767 50 20 CBGD CC[C@]1(C(=O)NNC(=O)c2cccnn2)CCCN1 1577198762 VUBLVPWMLDIMLT-GFCCVEGCSA-N 263.301 -0.230 50 20 CBGD CCN(CC)c1ccnc(NNC(=O)COCCN)n1 1577699513 IDALERBPPPZVMU-UHFFFAOYSA-N 282.348 -0.259 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@@H](N)C2(C)C)n[nH]1 1579565217 DNBFQBRCGJMIOI-IONNQARKSA-N 265.317 -0.147 50 20 CBGD CC(C)(C)n1nnc(C=NNC(=O)NCC(=O)O)n1 1590609621 MQNUUQXHDBYALJ-UHFFFAOYSA-N 269.265 -0.854 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNC(=O)CC1CCCC1 1593908635 JCNPGQPKKBPZAJ-VIFPVBQESA-N 258.274 -0.186 50 20 CBGD Cn1cc(CCC(=O)NNc2ccc(C(=O)O)cn2)nn1 1600948607 KBONZSUEPBBPID-UHFFFAOYSA-N 290.283 -0.016 50 20 CBGD O=C(NC[C@H]1C[C@H]1C(=O)O)NNc1ncccn1 1601527407 BYRIGFLJGCHEAW-RNFRBKRXSA-N 251.246 -0.177 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(C)C)ncc1-c1nn[nH]n1 1605621617 LAKGYPRGEQYCBS-UHFFFAOYSA-N 289.299 -0.013 50 20 CBGD O=C(O)Cc1ccccc1NC(=O)NNC(=O)CO 1606320460 CJXIKVROYFXVMX-UHFFFAOYSA-N 267.241 -0.541 50 20 CBGD O=C(C[C@@H]1CC(=O)N1)NNc1cccc(-c2nn[nH]n2)c1 1606494405 IDAPBUDYPSQPKQ-VIFPVBQESA-N 287.283 -0.412 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCCCO1 269402699 OJBFJGPEGQYBLK-QMMMGPOBSA-N 257.290 -0.773 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H]2CC(=O)N(C)C2)O1 293776883 BENOGTHHSAGPEK-CIUDSAMLSA-N 269.301 -0.820 50 20 CBGD COC(=O)NCC(=O)NNC(=O)COc1ccc(C)cc1 299125565 LQRVHUMZXPZQBE-UHFFFAOYSA-N 295.295 -0.123 50 20 CBGD CC(C)N(C)CCNC(=O)c1cc(B(O)O)ccc1F 584946419 SRYKWRSKDRRVLR-UHFFFAOYSA-N 282.124 -0.425 50 20 CBGD CCN(CC)[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584953633 FGOZGONVOOEGDN-AWEZNQCLSA-N 290.172 -0.077 50 20 CBGD O=C(CNCc1ccc(B(O)O)cc1)NC1CCCCC1 585022119 SWVGQQONZNGYPG-UHFFFAOYSA-N 290.172 -0.095 50 20 CBGD O=C(NCCNCc1ccc(B(O)O)cc1)C1CCCC1 585023965 OUYAEISZXGSOLJ-UHFFFAOYSA-N 290.172 -0.238 50 20 CBGD Cc1cccc(-n2nnc(C(=O)NCB(O)O)c2C)c1 585061814 HSAQXTSDICFINZ-UHFFFAOYSA-N 274.089 -0.374 50 20 CBGD CC[C@@H](C(=O)N1CC[C@@H](B(O)O)C1)N1CCCC1=O 585070921 IGRAQBBXHOIIKR-ZJUUUORDSA-N 268.122 -0.537 50 20 CBGD O=C(CCN1CCCC1=O)NNC(=O)NCC1CC1 727733030 YUFWHLHVXDBMBL-UHFFFAOYSA-N 268.317 -0.261 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCCN2CCCC2)cn1 735579231 HUGVLLXFOCXOQA-UHFFFAOYSA-N 294.359 -0.150 50 20 CBGD O=C(O)CSCC(=O)NNC(=O)c1ccncc1 740485289 HIGIUJCZSUAKTK-UHFFFAOYSA-N 269.282 -0.340 50 20 CBGD Cc1ncc(C(=O)NNC(=O)C(=O)N2CCCC2)s1 748733828 WBPGISVJFMIVSV-UHFFFAOYSA-N 282.325 -0.165 50 20 CBGD C[C@@H](NC(=O)CC1CCCCC1)C(=O)NNC(=O)CO 753445056 FGEKIXYUZOAIKV-SECBINFHSA-N 285.344 -0.399 50 20 CBGD CCS(=O)(=O)CC(=O)NNc1cc(Cl)nc(N)n1 753452314 ROCGSJRXEXADAM-UHFFFAOYSA-N 293.736 -0.410 50 20 CBGD COCC(=O)NNC(=O)Nc1cccnc1-n1cncn1 756291497 HDSKGSQWCRRABN-UHFFFAOYSA-N 291.271 -0.539 50 20 CBGD CSC[C@@H](C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758056075 RIIXUIUAVPDPKY-RNFRBKRXSA-N 297.402 -0.929 50 20 CBGD CC(=O)NNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 765990766 XQUZWONYROHPQE-SSDOTTSWSA-N 265.335 -0.882 50 20 CBGD Cc1cc(C(=O)NNC(=O)Nc2ccncn2)n[nH]1 770766191 WFBKQPKXTRNMSH-UHFFFAOYSA-N 261.245 -0.025 50 20 CBGD COC(=O)CNC(=O)NN=Cc1ccc(O)c(O)c1O 779823847 ULAXNBDOAYKKFC-UHFFFAOYSA-N 283.240 -0.391 50 20 CBGD COC(=O)CC(C)(C)CC(=O)NNC(=O)C(=O)NC1CC1 780322537 UVIZQAKDYHEZHV-UHFFFAOYSA-N 299.327 -0.608 50 20 CBGD Cc1c[nH]cc(C(=O)NNc2nccn(C)c2=O)c1=O 781428247 BMFFFWWFYUHENC-UHFFFAOYSA-N 275.268 -0.466 50 20 CBGD NC(=O)CCCC(=O)NNc1nc2ccccn2n1 787576066 BWJKJTNCSMTIRG-UHFFFAOYSA-N 262.273 -0.172 50 20 CBGD C[C@@](O)(C(=O)NNC(=O)N=c1cc[nH]cc1)C1CC1 804655505 REFWMBSRAHULSG-LBPRGKRZSA-N 264.285 -0.183 50 20 CBGD CN(CC(Cl)Cl)C(=O)Cn1ncn(C)c1=O 808245456 GAVBWBONFHOGFI-UHFFFAOYSA-N 267.116 -0.156 50 20 CBGD O=C(NNC(=O)c1cc2n(n1)CCO2)c1ccccn1 809937343 NZYLFMGXLIHADO-UHFFFAOYSA-N 273.252 -0.255 50 20 CBGD Cc1ncc2n1C[C@@H](C(=O)NN(C)C(N)=O)CC2 816958336 NZEBWDFBBVCMET-QMMMGPOBSA-N 251.290 -0.204 50 20 CBGD CC(C)S(=O)(=O)CC(=O)NNC(=O)CC1CC1 819117999 LDNUUNBWPNHXID-UHFFFAOYSA-N 262.331 -0.243 50 20 CBGD O=C(CN1CCOC1=O)NNc1ncncc1F 823125627 NLNLXLZCPVFVRS-UHFFFAOYSA-N 255.209 -0.489 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C2(n3cnnn3)CC2)o1 829831246 KEKWREKDCMNNKM-UHFFFAOYSA-N 276.256 -0.475 50 20 CBGD CN(NC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21)C(N)=O 831519480 NIYIENNJUCTWCJ-IWSPIJDZSA-N 268.317 -0.277 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1C[C@@H](C)O[C@H]1C 834955719 HNNOXWRTVZTJCI-CSMHCCOUSA-N 277.346 -0.406 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1ccc(C#N)o1 842589646 KRNPRMZCEJGQDL-APPZFPTMSA-N 299.308 -0.114 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCN[C@@H](C(C)C)C1 843375878 NLDMRIYODDLDIP-WDEREUQCSA-N 270.377 -0.138 50 20 CBGD C[C@H](Cc1ccc(C#N)cc1)C(=O)NNC(=O)CO 848373551 YUDJCGNOJWJHTL-SECBINFHSA-N 261.281 -0.123 50 20 CBGD O=C(NN=C1CCN(CCO)CC1)c1cc[nH]n1 853391584 SILWNQHZPMIRLB-UHFFFAOYSA-N 251.290 -0.416 50 20 CBGD O=C(C[C@H]1CCC(=O)N1)NNC(=O)c1ccncc1 854118533 JRBZJCVYXOQUIZ-SECBINFHSA-N 262.269 -0.489 50 20 CBGD CSC(C)(C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 854294657 IMRJDTXQWUCAOJ-ZETCQYMHSA-N 294.398 -0.290 50 20 CBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2ncc[nH]2)C[C@@H](C)O1 856758802 MUQCZPFNXGMMNV-NXEZZACHSA-N 295.343 -0.330 50 20 CBGD CC(C)CN(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858695086 CSQUQCOOEXCRAK-QMMMGPOBSA-N 256.306 -0.406 50 20 CBGD CCC(=CC(=O)NNC(=O)CS(C)(=O)=O)CC 863462727 WODMGXDAFLTBIB-UHFFFAOYSA-N 262.331 -0.075 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H]1COCCN1CC 887147084 XJVRZDVQWIBPHU-NSHDSACASA-N 267.329 -0.342 50 20 CBGD CCOC(=O)[C@H]1CCCN(CC(=O)NNC(=O)NC)C1 900352755 KFPNCYPPCHNSBL-VIFPVBQESA-N 286.332 -0.778 50 20 CBGD CC[C@@H](C(=O)NN(C)C[C@H](C)O)N1CCCC1=O 910161987 BYZMOAMGERXCKW-UWVGGRQHSA-N 257.334 -0.269 50 20 CBGD O=C(CNC(=O)C1CC1)NNC(=O)c1ccncc1 914856614 BERYQHKITRFABC-UHFFFAOYSA-N 262.269 -0.631 50 20 CBGD CCc1c(C(=O)NNC(=O)CN2CCCC2=O)cnn1C 920433562 VSUJJVMDSZBSIA-UHFFFAOYSA-N 293.327 -0.634 50 20 CBGD COCCCNC(=O)NNC(=O)c1nnc(C)s1 1118635714 CZBQQLSXQMFYFW-UHFFFAOYSA-N 273.318 -0.173 50 20 CBGD COc1nnccc1NC(=O)NNC(=O)CCO 1261143652 LXPJUGHJOVBAOB-UHFFFAOYSA-N 255.234 -0.980 50 20 CBGD COC(=O)C(=O)NN=Cc1ccc(N(C)CCO)cc1 1318965840 MVTSASJHBMEABF-UHFFFAOYSA-N 279.296 -0.262 50 20 CBGD O=C(NNC(=O)C1(O)CCC1)C(=O)Nc1ccccn1 1320380001 IXMYGUOYCLNLNA-UHFFFAOYSA-N 278.268 -0.918 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NNc1cccnn1 1320924483 JZHUBSVXKBVIAA-SSDOTTSWSA-N 258.303 -0.400 50 20 CBGD Cc1nn(C)cc1C(=O)NNC(=O)Cc1cc[nH]n1 1321003190 YIWDYGFWUKXTTE-UHFFFAOYSA-N 262.273 -0.545 50 20 CBGD CC(C)NC(=S)NNC(=O)c1ccc(C(N)=O)o1 1322826730 QOEKIWTZXALNFC-UHFFFAOYSA-N 270.314 -0.104 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@]1(F)CCOC1 1324046304 OUDDSQBQBVECLH-SECBINFHSA-N 281.378 -0.027 50 20 CBGD CCn1nccc1C=NNC(=O)[C@H]1CCS(=O)(=O)C1 1324381953 ULIMDWSIZCQBDT-VIFPVBQESA-N 284.341 -0.212 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(O)cc1O 1325320521 FQMBPFSVHJKNKM-UHFFFAOYSA-N 276.252 -0.175 50 20 CBGD COCCCNC(=O)NNC(=O)C[C@H]1CCC(=O)N1 1327862209 ITHYRQWULSLPRC-MRVPVSSYSA-N 272.305 -0.978 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)c1nnn(C)c1C 1329182623 LKLNJUKXJPUCOX-UHFFFAOYSA-N 299.331 -0.326 50 20 CBGD COC[C@H](OC)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1334820682 JRCABWNQUKUZJZ-UWVGGRQHSA-N 294.373 -0.860 50 20 CBGD COC(=O)C(=O)NN=Cc1cnc(N(C)C)n1C 1347383521 KNYCVDIYWYYTER-UHFFFAOYSA-N 253.262 -0.891 50 20 CBGD Cc1nnc2ccc(C(=O)N3CC[C@@H](B(O)O)C3)cn12 1348490026 KMCFLHSXBFNYPZ-SNVBAGLBSA-N 274.089 -0.273 50 20 CBGD C/C=C/[C@@H]1CNC[C@H]1C(=O)NNC(=O)c1cnn(C)c1 1576923764 CNHKRWIGJYEBRX-IDFWJGBYSA-N 277.328 -0.407 50 20 CBGD COC(=O)[C@@]1(C(=O)NNC(=O)CN)C[C@H]1c1ccccc1 1578778804 XBADTYAKUCNDQL-HZMBPMFUSA-N 291.307 -0.561 50 20 CBGD Cc1cc(C)nc(NNC(=O)C2(CN)CC(O)C2)n1 1579591046 ZABZNILAVBOXBT-UHFFFAOYSA-N 265.317 -0.364 50 20 CBGD CCN(CC)c1ccnc(NNC(=O)[C@@H](OC)C(=O)O)n1 1589728808 QLAFRIPZPRCGNF-SECBINFHSA-N 297.315 -0.135 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@@H](C(=O)O)C[C@H]1C 1590939032 OOXCLNOKAPBAIP-NXEZZACHSA-N 285.344 -0.025 50 20 CBGD CC1(C)CO[C@@H](CCNC(=O)NNC(=O)C(=O)O)C1 1593954188 HIEOOPISDMBNAS-ZETCQYMHSA-N 273.289 -0.393 50 20 CBGD O=C(NCc1ccc2nonc2c1)NNC(=O)C(=O)O 1608470694 IAOAONPHQSMJRT-UHFFFAOYSA-N 279.212 -0.862 50 20 CBGD O=C(O)C[C@@H](CNC(=O)NNC(=O)c1cn[nH]c1)C1CC1 1608666955 TXCNAQXTZVABCC-QMMMGPOBSA-N 295.299 -0.145 50 20 CBGD O=C(CN1C(=O)COc2ccccc21)NNC(=O)C1CC1 26967621 XXFKZRITVUAUFG-UHFFFAOYSA-N 289.291 -0.031 50 20 CBGD CN1C[C@@H](C(=O)NNC(=O)NC2CCCC2)CC1=O 68283322 YWCGQJALHSOSKR-QMMMGPOBSA-N 268.317 -0.262 50 20 CBGD CC[C@@H](C)OCC(=O)NNC(=O)Cc1cc[nH]n1 186158558 DOBKKAAJDWWWLD-MRVPVSSYSA-N 254.290 -0.085 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cccc(O)c2O)CC1 288009702 PHGVEVIQQVGWHJ-UHFFFAOYSA-N 294.311 -0.300 50 20 CBGD COCC[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F 584937257 QXAQXMQIDIZDNA-MRVPVSSYSA-N 269.081 -0.340 50 20 CBGD O=C(N[C@@H]1CCCC[C@H]1CO)c1cccc(B(O)O)c1 584960825 VNWKNUQKWTYDOC-WCQYABFASA-N 277.129 -0.353 50 20 CBGD NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(B(O)O)cc1 584961327 QPDRWOUIBQUSHP-NEPJUHHUSA-N 290.128 -0.860 50 20 CBGD C[C@@H]1[C@@H](C)N(C(=O)c2cccc(B(O)O)c2)CCN1C 584970209 MROVTCKQNAEWFC-GHMZBOCLSA-N 276.145 -0.469 50 20 CBGD CN(C)CC(C)(C)NC(=O)c1cccc(B(O)O)c1 584998955 UCIIRYGYDCJRKN-UHFFFAOYSA-N 264.134 -0.564 50 20 CBGD C[C@H]1[C@@H](O)CCCN1C(=O)c1ccc(B(O)O)c(F)c1 585000045 WJBYKNFWGRKHKZ-UFBFGSQYSA-N 281.092 -0.509 50 20 CBGD CC(C)[C@H](NCc1ccc(B(O)O)cc1)C(=O)N(C)C 585018205 IGCAGAHADARQTP-ZDUSSCGKSA-N 278.161 -0.431 50 20 CBGD O=C(O)[C@@]1(C(=O)N2CC[C@H](B(O)O)C2)CC=CCC1 585063919 KOVGHXCRURHLSU-CABZTGNLSA-N 267.090 -0.127 50 20 CBGD C[C@H](OC[C@H]1CCCO1)C(=O)N1CC[C@@H](B(O)O)C1 585077696 TXYQYIPRNGWLTE-HBNTYKKESA-N 271.122 -0.354 50 20 CBGD Nc1c(N2CC[C@H](B(O)O)C2)ncnc1-n1cccn1 585078887 OUULLTJGQSNEDQ-QMMMGPOBSA-N 274.093 -0.702 50 20 CBGD CCc1ccc(C(=O)NNC(=S)NCC(N)=O)cc1 727067710 PZSAOVFSDWGKJB-UHFFFAOYSA-N 280.353 -0.157 50 20 CBGD O=C(NNC(=O)C1CC1)c1cnc2n(c1=O)CCS2 727942959 ONWLOPDWVMKPMQ-UHFFFAOYSA-N 280.309 -0.480 50 20 CBGD CCS(=O)(=O)CCNC(=O)NNC(=O)C1CCCC1 727944304 XHQYHIMHBNJQSL-UHFFFAOYSA-N 291.373 -0.058 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)NC2)c1 728826416 GIOQPYWVTYOIIH-LLVKDONJSA-N 286.291 -0.155 50 20 CBGD COC(=O)NC(C)(C)C(=O)NNC(=O)NCC1CC1 729344649 ZFZAQJHCGPNJGY-UHFFFAOYSA-N 272.305 -0.139 50 20 CBGD CC(C)CC(=O)NNC(=O)N[C@H](C)CN1CCN(C)CC1 730130290 JLCOCMCNVQUPOJ-GFCCVEGCSA-N 299.419 -0.001 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H]1CCCN1C(N)=O 747367676 ZFIWIJUWMKTERD-QMMMGPOBSA-N 271.321 -0.340 50 20 CBGD CC(C)(C)OC(=O)N[C@H](CO)C(=O)NNc1ncccn1 753785436 KPKAAGFKEAFADC-MRVPVSSYSA-N 297.315 -0.195 50 20 CBGD COC[C@](C)(O)C(=O)NNc1nc(-c2cccnc2)no1 755001338 MMXFAMQIIJYWNS-LBPRGKRZSA-N 293.283 -0.028 50 20 CBGD CNC(=O)NCC(=O)NNc1cc(C#N)cc(Cl)n1 769073595 JBGVHQLJPWAESS-UHFFFAOYSA-N 282.691 -0.021 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 786845219 MCHVWGNQNUWJBJ-SFYZADRCSA-N 256.306 -0.420 50 20 CBGD C[C@H](O)C(=O)NNC(=O)Cc1cn2ccccc2n1 787107913 UMNAAKVTHFGDAQ-QMMMGPOBSA-N 262.269 -0.595 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H](NC(N)=O)C(C)(C)C 800328835 VKYLALYVHVBFRL-LURJTMIESA-N 259.310 -0.628 50 20 CBGD O=C(NNC(=O)c1cc(F)cc2nn[nH]c12)c1cnn[nH]1 800482579 IXJSMSCHYFGEKP-UHFFFAOYSA-N 290.218 -0.710 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cnn(CCF)c1 806815520 DNAOTUYBJJWZNT-UHFFFAOYSA-N 280.263 -0.041 50 20 CBGD C[C@H](CO)N(C)NC(=O)Cn1c(=O)cnc2ccccc21 823982993 INBICQAPOYJFJQ-SNVBAGLBSA-N 290.323 -0.260 50 20 CBGD CCOCCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 825681061 FQFITGAIEUEHFC-IUCAKERBSA-N 259.306 -0.222 50 20 CBGD O=C(NNc1ncc(F)cn1)c1cc(-c2nn[nH]n2)c[nH]1 826449881 NMHHRQRJRODTQG-UHFFFAOYSA-N 289.234 -0.119 50 20 CBGD COC(=O)C[C@@H](C)NC(=O)c1cccc(B(O)O)c1 829732722 TUIVVULHDLVTIG-MRVPVSSYSA-N 265.074 -0.952 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@@H]2NC(=O)O[C@@H]2C)nc1 841410537 DYYRUOJYWAKCHM-HZGVNTEJSA-N 294.267 -0.192 50 20 CBGD COC(=O)[C@H](NNC(=O)[C@H]1CCO[C@@H]1C)C1CC1 843289728 XCCHDDVRCNDVJW-FKTZTGRPSA-N 256.302 -0.016 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1nccnc1N 843980795 WQEBCVQUYLZNRX-RQJHMYQMSA-N 265.273 -0.755 50 20 CBGD CC(C)[C@H](C(=O)NNC(=O)CO)C(=O)OC(C)(C)C 844138809 XSCNJMSVLQOENA-SECBINFHSA-N 274.317 -0.260 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)SCCC(=O)NC 845331669 CPDJZOJNSHCXBM-SSDOTTSWSA-N 261.347 -0.198 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@H](C)[C@](C)(CO)C1 852705449 WWHARHFYFURHGU-GWCFXTLKSA-N 271.361 -0.260 50 20 CBGD CC[C@@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)CCO1 858704201 GFFFILRPAPQYFH-SECBINFHSA-N 267.289 -0.125 50 20 CBGD C[C@H](NNC(=O)Cn1ccc(=O)n(C)c1=O)C(F)(F)F 862307227 JLSKSWVMFQBAJD-LURJTMIESA-N 294.233 -0.881 50 20 CBGD Cc1ncc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 862452170 CKLWUWDOKNMFFN-LURJTMIESA-N 268.298 -0.509 50 20 CBGD CCO/C=C(/C#N)C(=O)NC[C@@H](O)CC(=O)OC 863018458 ZOFNLZOFZJRASK-FUOZMLNRSA-N 256.258 -0.529 50 20 CBGD C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)[C@@H]1C 863467960 OBPNJLFTUFNCPZ-JIOCBJNQSA-N 292.357 -0.762 50 20 CBGD COC(=O)N(C)CCCC(=O)N1CC[C@@H](B(O)O)C1 864230963 HNVVZDFBWHLFIB-SECBINFHSA-N 272.110 -0.460 50 20 CBGD CC(C)C(=O)NNC(=O)NCCCC(=O)N(C)C 919923581 IQOGUXMYPQDAPE-UHFFFAOYSA-N 258.322 -0.159 50 20 CBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(C)=O)C1 920429922 DREFCHPVYWGFTC-VIFPVBQESA-N 277.346 -0.785 50 20 CBGD O=C(CCn1cc([N+](=O)[O-])cn1)NNC(=O)NC1CC1 920823285 LKKWFLDUKCZDKF-UHFFFAOYSA-N 282.260 -0.326 50 20 CBGD COCCCNC(=O)NNC(=O)CSCC#N 920862066 KKKBTTVYMYCIFO-UHFFFAOYSA-N 260.319 -0.390 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@H]1CCN1C 925430942 RHHOXAXBOLEPBS-GUBZILKMSA-N 270.333 -0.554 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccn(C)n1 1115966874 JZCXQUDIQNNVIO-UHFFFAOYSA-N 255.278 -0.599 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H](C)CS(C)(=O)=O 1116188964 WAXUPPFXOQDTTP-ZETCQYMHSA-N 281.403 -0.429 50 20 CBGD CC(C)NC(=S)NNC(=O)CCc1nc[nH]n1 1116215698 COJKLCIDZBLRHS-UHFFFAOYSA-N 256.335 -0.359 50 20 CBGD O=C(NNC(=O)c1cncc(Cl)n1)C(=O)N1CCCC1 1116784722 WOIHJQHAVCKNLM-UHFFFAOYSA-N 297.702 -0.487 50 20 CBGD Cn1nncc1C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1116914278 VOSDHFNTXSMQED-UHFFFAOYSA-N 289.299 -0.508 50 20 CBGD Cc1nnc(COCC(=O)NNC(=O)NC2CC2)s1 1117105815 VAPXCSMTDZYWIG-UHFFFAOYSA-N 285.329 -0.144 50 20 CBGD CC(=O)c1cc(C(=O)NNC(=O)C(=O)NC2CC2)cs1 1117742499 BUNJKWUCRGSKJC-UHFFFAOYSA-N 295.320 -0.010 50 20 CBGD Cc1nccc(CCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 1118943051 JNSRJOGQQJFGCL-JTQLQIEISA-N 291.311 -0.856 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@@](O)(CC#N)C1 1261458057 JLMZZNRXVBNQAK-LBPRGKRZSA-N 268.317 -0.860 50 20 CBGD Cc1nnc(CC(=O)NNC(=O)C(C)(C)O)s1 1261738072 GJUTXIHNIYDEJF-UHFFFAOYSA-N 258.303 -0.693 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc(C(N)=O)cc1 1318058734 WTFGQOHUPGRRDS-UHFFFAOYSA-N 250.258 -0.299 50 20 CBGD C[C@@H](Sc1nncn1C)C(=O)NNC(=O)N(C)C 1318075482 DQBTWJVDKDYEGK-ZCFIWIBFSA-N 272.334 -0.402 50 20 CBGD CCOC(=O)NNC(=O)C1CCC2(CC1)NC(=O)NC2=O 1318268776 LGQREMJRFHCYEJ-UHFFFAOYSA-N 298.299 -0.468 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NNc1ncccn1 1318876161 FHXWRXSISWMUQG-SSDOTTSWSA-N 258.303 -0.400 50 20 CBGD CS(=O)(=O)C1(C(=O)NNc2ncccn2)CCC1 1322401933 JBDCVJBMWRVTOL-UHFFFAOYSA-N 270.314 -0.113 50 20 CBGD C=C[C@@H](COC)NC(=O)NNC(=O)C(=O)N1CCCC1 1324032401 QPCUBIDCEBMNHF-VIFPVBQESA-N 284.316 -0.860 50 20 CBGD CCn1cc(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)nn1 1327897072 CMGCATQORRYPHS-PSASIEDQSA-N 296.331 -0.447 50 20 CBGD CN(C)c1cnc(C(=O)NNc2nccn(C)c2=O)cn1 1329089619 REUCDRIHKZMGIK-UHFFFAOYSA-N 289.299 -0.607 50 20 CBGD COC(=O)CC1CC(=NNC(=O)[C@@H]2CCC(=O)N2)C1 1329190298 FUFBCTLFKBOPKZ-NETXQHHPSA-N 267.285 -0.290 50 20 CBGD NC(=O)C(=O)NNC(=O)c1cncn1-c1ccccc1 1330711129 SPJTYWILLQERLY-UHFFFAOYSA-N 273.252 -0.881 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1cnn(C)c1 1351651511 PCQGDCNPMFNVTJ-UHFFFAOYSA-N 258.303 -0.695 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1C[C@@H](C(=O)OC)C1 1358308228 WWOISJMVLWDZRZ-KNVOCYPGSA-N 259.331 -0.347 50 20 CBGD O=C(O)CN1CCC[C@H](C(=O)NNc2ccncn2)C1=O 1595081667 CICBRSLFMKQDHL-MRVPVSSYSA-N 293.283 -0.757 50 20 CBGD C[C@@H](CC(=O)O)CC(=O)NNC(=O)c1ncccn1 1604107123 VELXPOKKWJHWMF-SSDOTTSWSA-N 266.257 -0.262 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)C(=O)O)Oc1ccccc1 1604179508 ZRYWQMPJIJHKLO-QMMMGPOBSA-N 281.268 -0.131 50 20 CBGD CSCCCNC(=S)NNC(=O)C(=O)NC1CC1 18166905 GLUHCHMIERLESM-UHFFFAOYSA-N 290.414 -0.487 50 20 CBGD O=C(Cc1nc2ncccn2n1)NNC(=O)NC1CC1 49150367 LJDPXYGEJFSJKR-UHFFFAOYSA-N 275.272 -0.840 50 20 CBGD CCCNC(=O)CNC(=O)NNc1cccnn1 77336267 MSSOKTSYZXHOSJ-UHFFFAOYSA-N 252.278 -0.371 50 20 CBGD CC(C)CC(=O)NCCC(=O)NNC(=O)c1cnn(C)c1 156430835 OHKBAMCPPWOHGV-UHFFFAOYSA-N 295.343 -0.267 50 20 CBGD CCCCOCC(=O)NNc1ccc(C(N)=O)nn1 268250310 OPZIUNMWRBWAJY-UHFFFAOYSA-N 267.289 -0.165 50 20 CBGD CSSCCNC(=O)CN1C(=O)C(=O)N(C)C1=O 284174194 RRVXUDGHJPZEEB-UHFFFAOYSA-N 291.354 -0.466 50 20 CBGD CCOc1ccccc1OCC(=O)NNC(=O)[C@@H](C)O 294399954 PFOYQSLJLFDXCF-SECBINFHSA-N 282.296 -0.008 50 20 CBGD CC(=O)N[C@@H](C(=O)Nc1cccc(B(O)O)c1)C(C)C 404930813 DDRWEPLBMYZVQO-GFCCVEGCSA-N 278.117 -0.534 50 20 CBGD O=C1CC[C@@H](CC(=O)Nc2cccc(B(O)O)c2)CN1 584912974 YKNBQCPNXMYRDV-VIFPVBQESA-N 276.101 -0.779 50 20 CBGD C[C@]1(CNC(=O)c2cccc(B(O)O)c2)CCCO1 584956850 CAZGQDGJVYFUTN-CYBMUJFWSA-N 263.102 -0.335 50 20 CBGD O=C(N[C@H]1CCc2c[nH]nc2C1)c1ccc(B(O)O)cc1 584959093 WYVKJJUSWHDDJT-LBPRGKRZSA-N 285.112 -0.623 50 20 CBGD C[C@H]1[C@H](C)N(C(=O)c2ccc(B(O)O)c(F)c2)CCN1C 584970736 SFGWJAVTVZTQFO-UWVGGRQHSA-N 294.135 -0.330 50 20 CBGD C[S@](=O)C1(CNC(=O)c2ccc(B(O)O)c(F)c2)CC1 584986501 GDWBWNFGVNIBGO-FQEVSTJZSA-N 299.132 -0.854 50 20 CBGD C[C@@H](CCCO)CNCc1cccc(B(O)O)c1 585042857 FDACHVPGQONKJQ-NSHDSACASA-N 251.135 -0.135 50 20 CBGD CC(=O)NCC(=O)NCC(=O)NNc1ccc(Cl)nc1 743817870 IABKDWSSEVGKBM-UHFFFAOYSA-N 299.718 -0.570 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)NCC2CC2)C1 746166720 GFURIGXNTOMCAK-SECBINFHSA-N 256.306 -0.943 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2CCC(=O)N2C)n1 752502731 YANWRGZVWFVUSS-QMMMGPOBSA-N 279.300 -0.142 50 20 CBGD CCCC=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 755620312 WPXXHJKETQXMGG-UHFFFAOYSA-N 299.356 -0.527 50 20 CBGD CSC[C@H](C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758056070 RIIXUIUAVPDPKY-BQBZGAKWSA-N 297.402 -0.929 50 20 CBGD CCC[C@H]1C(=O)NCCN1CC(=O)NNC(=O)C1CC1 766256613 KIXUUFPAKCVEPF-JTQLQIEISA-N 282.344 -0.856 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCCOCC1 770607510 XCQHFSFQPWSKBV-QMMMGPOBSA-N 277.346 -0.403 50 20 CBGD O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1O)c1cnn[nH]1 772859021 IVQDWBCHOZTAAG-UHFFFAOYSA-N 292.211 -0.507 50 20 CBGD COCCOc1ncccc1C(=O)NN(C)C(N)=O 778414447 COSPEDKRGUHQRZ-UHFFFAOYSA-N 268.273 -0.238 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1ncncc1Cl 781831337 FYWIGYGVUGNRJD-RXMQYKEDSA-N 293.736 -0.489 50 20 CBGD COCCCC(=O)NNC(=O)N1CCN(C)CC1 788167102 URUIWDAOSJMLTL-UHFFFAOYSA-N 258.322 -0.599 50 20 CBGD COc1nccnc1NNC(=O)CC1OCCO1 791225271 ICTBRULUOCYRCY-UHFFFAOYSA-N 254.246 -0.309 50 20 CBGD CCn1nc(C)c(C(=O)NNC(=O)N=c2cc[nH]cc2)n1 816596360 YZJVINZDHJFXMW-UHFFFAOYSA-N 289.299 -0.110 50 20 CBGD CNC(=O)NNC(=O)[C@](C)(OC)C(=O)OC(C)(C)C 823425618 YHPZUTPTRCWDFW-NSHDSACASA-N 275.305 -0.307 50 20 CBGD CC(=O)OCC(C)(C)CC(=O)NNC(=O)CN(C)C 825708150 CTXAKDAOEGDVHK-UHFFFAOYSA-N 273.333 -0.325 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCC(=O)N(C)C 825785076 DXVAINKVTKVZMH-BDAKNGLRSA-N 286.332 -0.780 50 20 CBGD CCOC(=O)[C@H](C)[C@H](C)NCC(=O)NNC(=O)C(C)C 828846181 ASFHUJSKADXYCM-ZJUUUORDSA-N 287.360 -0.033 50 20 CBGD CNC(=O)NNS(=O)(=O)C[C@@H](OC)C(C)C 842581460 KUGZDNZWCUJDTP-SSDOTTSWSA-N 253.324 -0.579 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H](O)C(C)C 854388352 HKGBZIZFKCRJCE-SECBINFHSA-N 276.333 -0.060 50 20 CBGD C[C@@H]1Cc2cc(C(=O)NNC(=O)CO)ccc2O1 857169581 ITWFCHVURJYQRM-SSDOTTSWSA-N 250.254 -0.237 50 20 CBGD COC(=O)N(C)NC(=O)c1cnn(CCN(C)C)c1 868240902 KHUJFZXJRGBQJH-UHFFFAOYSA-N 269.305 -0.212 50 20 CBGD CN1CC(=O)N(CC(=O)NNc2ccc(F)cn2)C1=O 874652126 UWGMUWWUCLYECG-UHFFFAOYSA-N 281.247 -0.442 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc2cnccc2[nH]1 894134676 MJFRLXVBOSSERK-UHFFFAOYSA-N 261.285 -0.115 50 20 CBGD C[C@H](O)CN(C)NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 910143554 BILPEZXEKZKNLP-GARJFASQSA-N 295.339 -0.719 50 20 CBGD C[C@@H]1CCCCN1NC(=O)c1ccc(B(O)O)cc1 912159675 OUYBHISUEFWACU-SNVBAGLBSA-N 262.118 -0.114 50 20 CBGD C=C1CCC(C(=O)NNC(=O)CS(C)(=O)=O)CC1 913243457 VJBRQGGXKLGDFO-UHFFFAOYSA-N 274.342 -0.075 50 20 CBGD CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)CN1CCCC1=O 913732571 AYUBWCRHTMDEGU-BXKDBHETSA-N 285.344 -0.183 50 20 CBGD COCCCNC(=O)NNC(=O)COc1cc(C)on1 920862777 HBRJJXHNVAYLFT-UHFFFAOYSA-N 286.288 -0.271 50 20 CBGD CCCNC(=O)NNC(=O)Cc1nc2ncccn2n1 1115900817 FNSCEYRBTODHBH-UHFFFAOYSA-N 277.288 -0.593 50 20 CBGD C[C@H](C(=O)NNc1ncncc1F)n1cnc(C#N)n1 1117730866 WCCZFGGMEVOVQY-ZCFIWIBFSA-N 276.235 -0.217 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H](C)n1cnc(C#N)n1 1118770091 IIEZFIMPQQHZJX-ZCFIWIBFSA-N 267.318 -0.822 50 20 CBGD CC(=NNC(=O)C(=O)NC1CC1)c1ccnc(O)c1 1256238881 UUUDAVGYMGZIIN-UHFFFAOYSA-N 262.269 -0.094 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@@H](C)N1C(=O)CCC1=O 1318215162 YJXABEKYVCPMPV-SSDOTTSWSA-N 270.289 -0.737 50 20 CBGD COC(=O)c1ccc(NC(=O)C(=O)NNC(C)=O)c(C)c1 1320349005 MTZXCQPRRNLBCB-UHFFFAOYSA-N 293.279 -0.113 50 20 CBGD CS(=O)(=O)CC(=O)NNc1ncncc1Cl 1320538331 KZNGQSAJTJZYTL-UHFFFAOYSA-N 264.694 -0.382 50 20 CBGD Cc1ccncc1C(=O)NNC(=O)C(=O)NC1CC1 1322124342 VYELXBIYZUDMPR-UHFFFAOYSA-N 262.269 -0.570 50 20 CBGD Cn1nnc2cc(C(=O)NNC(=O)NC3CC3)cnc21 1325322244 GTCVYFRRFWBAIX-UHFFFAOYSA-N 275.272 -0.530 50 20 CBGD CC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](B(O)O)C2)C1 1329670918 GHCLYXKPXGGKAS-MNOVXSKESA-N 268.122 -0.680 50 20 CBGD O=C1CC[C@@]2(C(=O)N3CC[C@H](B(O)O)C3)SCCN12 1329672559 QRZQZZWKZCTJIH-KWQFWETISA-N 284.146 -0.873 50 20 CBGD CCn1ccc(CC(=O)N2CC[C@@H](B(O)O)C2)n1 1330261762 HNPJOSLZALCTOJ-SECBINFHSA-N 251.095 -0.479 50 20 CBGD COC(=O)NC(C)(C)C(=O)N1CC[C@H](B(O)O)C1 1331897729 ZEFSCQGVLMUYNA-ZETCQYMHSA-N 258.083 -0.804 50 20 CBGD CN1C(=O)CS/C1=C\C(=O)NNc1cnnn1C 1333798561 PCZPKKMNEGYQRJ-OQFOIZHKSA-N 268.302 -0.695 50 20 CBGD CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(N)nc1 1343878471 YYUUPEFAQTWBEF-SNVBAGLBSA-N 296.352 -0.061 50 20 CBGD CCc1c(C(=O)N2CC[C@H](B(O)O)C2)cnn1C 1348490058 LPOQIXAGPNJRCD-QMMMGPOBSA-N 251.095 -0.329 50 20 CBGD C[C@H](O)c1cn(CC(=O)NNC(=O)CC(F)(F)F)nn1 1351035651 UFVHBTORNFVXPU-YFKPBYRVSA-N 295.221 -0.569 50 20 CBGD CCn1cc(C(=O)C(=O)NN(C)[C@@H](C)CO)cn1 1352230291 PHYZHDSSZVYWPV-QMMMGPOBSA-N 254.290 -0.571 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccc(-c2nn[nH]n2)nc1 1579424791 QNBWAHAYIWRXLI-UHFFFAOYSA-N 292.328 -0.657 50 20 CBGD C[C@@H]1CNC[C@H]1CCNC(=O)c1cc(B(O)O)ccc1F 1579454162 ZINYSZGFZDAASN-NXEZZACHSA-N 294.135 -0.519 50 20 CBGD N[C@@H]1CC[C@H](CC(=O)NNC(=O)CN2CCCC2=O)C1 1580387617 QUPJFRNFEPTSFG-VHSXEESVSA-N 282.344 -0.726 50 20 CBGD O=C(NNC(=O)[C@@H]1NCC[C@@H]2CCCC[C@H]21)c1cnn[nH]1 1580736532 WHMZXTGQNYGDMA-IQJOONFLSA-N 292.343 -0.266 50 20 CBGD C=C(CCC(=O)O)C(=O)NNc1nnc(C)n1C 1588630568 RKRLEMMBKUJNMA-UHFFFAOYSA-N 253.262 -0.012 50 20 CBGD N#CC1=CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 1592671359 NBHKKGFNQSHKRJ-UHFFFAOYSA-N 285.271 -0.860 50 20 CBGD C[C@@H]1O[C@H](C)[C@@H](NC(=O)NNC(=O)C(=O)O)[C@H]1C 1594636251 QXJNWWXINBKPSH-YTLHQDLWSA-N 259.262 -0.787 50 20 CBGD O=C(CC1CS(=O)(=O)C1)NNc1ccc(C(=O)O)cn1 1601255081 KBVRVMOKARNCCT-UHFFFAOYSA-N 299.308 -0.342 50 20 CBGD CN(C)N(C(=O)CCl)[C@H]1CCS(=O)(=O)C1 40537823 YLTRSRQVLBTFPZ-ZETCQYMHSA-N 254.739 -0.283 50 20 CBGD O=C(Cn1ccccc1=O)NNC(=O)c1ccc[nH]1 122925344 BJTJYXPOJQOWLW-UHFFFAOYSA-N 260.253 -0.362 50 20 CBGD CNC(=O)NNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 128563997 JAHFFDOPOFQJCI-YUMQZZPRSA-N 282.300 -0.878 50 20 CBGD CCN1C[C@H](C(=O)NNC(=O)c2cc(C)n[nH]2)CC1=O 151221387 HWCOSCCYFDOVPM-MRVPVSSYSA-N 279.300 -0.652 50 20 CBGD CN1CC[C@H](NC(=O)NNc2cncc(Cl)n2)C1=O 172627460 IXLQFIYANYYDFP-LURJTMIESA-N 284.707 -0.013 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CCC[C@H](C(=O)OC)C1 266887831 VIZXMGCDOOQJOE-SFYZADRCSA-N 257.290 -0.074 50 20 CBGD CCOc1ccccc1OCC(=O)NNC(=O)CO 273516542 PWFPPIQNULMQQX-UHFFFAOYSA-N 268.269 -0.396 50 20 CBGD CC(C)(C)C(=O)NNC(=O)N1CC[C@@](C)(C(N)=O)C1 279905051 LMZJWQYKPJTYFB-GFCCVEGCSA-N 270.333 -0.029 50 20 CBGD CNC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cn1 294642716 MGADLYYXHKJHCU-JTQLQIEISA-N 292.295 -0.619 50 20 CBGD CC(C)N(C)CCCNC(=O)c1ccc(B(O)O)cc1 584929344 QVLOOFBQLGYGPN-UHFFFAOYSA-N 278.161 -0.174 50 20 CBGD C[C@H](CCN(C)C)NC(=O)c1cc(B(O)O)ccc1F 584946101 PPLZFBHPIANIPQ-SECBINFHSA-N 282.124 -0.425 50 20 CBGD CN(C[C@@H]1CCOC1)C(=O)c1cccc(B(O)O)c1 584961295 PTSRLBPUKUPZFQ-JTQLQIEISA-N 263.102 -0.525 50 20 CBGD CC[C@@](NC(=O)c1ccc(B(O)O)cc1)(C(N)=O)C(C)C 584975268 ZUDASDUEUWREAA-AWEZNQCLSA-N 292.144 -0.614 50 20 CBGD C[C@H]1C[C@H](CO)CN(C(=O)c2ccc(B(O)O)c(F)c2)C1 585000379 MADMKBGXQNHWGE-UWVGGRQHSA-N 295.119 -0.404 50 20 CBGD C[C@H]1NC(=O)CC[C@@H]1CNC(=O)c1cccc(B(O)O)c1 585002239 QXDMAFBWELUZEK-MWLCHTKSSA-N 290.128 -0.989 50 20 CBGD C[C@@H]1NC(=O)CC[C@H]1CNC(=O)c1cccc(B(O)O)c1 585002240 QXDMAFBWELUZEK-ONGXEEELSA-N 290.128 -0.989 50 20 CBGD OB(O)c1ccc(CNCCCn2cncn2)c(F)c1 585020827 ACAMFYBRZFJBEE-UHFFFAOYSA-N 278.096 -0.723 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCO[C@@]3(CCOC3)C2)cc1 585033834 GRESZPZJKLZDMZ-GJZGRUSLSA-N 291.156 -0.206 50 20 CBGD O=C(NCB(O)O)[C@@H](c1ccccc1)N1CCSCC1 585060276 PCPKILLPLTXDJX-GFCCVEGCSA-N 294.185 -0.095 50 20 CBGD O=C1CN(CC(=O)NNC(=O)c2cccs2)CCCN1 726791995 WZRBZTKJKFVLBS-UHFFFAOYSA-N 296.352 -0.669 50 20 CBGD CCOC(=O)NNS(=O)(=O)c1ccc(C(=O)O)o1 737145380 BVDXOAXBGDAICG-UHFFFAOYSA-N 278.242 -0.083 50 20 CBGD C[C@@H](NC(=O)c1ccoc1)C(=O)NNC(=O)N(C)C 746001348 KYHWGUMUBYQPJU-SSDOTTSWSA-N 268.273 -0.300 50 20 CBGD CC(=O)N[C@@H](CC(=O)NNc1ccc(F)cc1)C(N)=O 746111672 CYFNCGFKPMWPLX-JTQLQIEISA-N 282.275 -0.351 50 20 CBGD CC(C)(C)c1nsc(NC(=O)NNC(=O)CO)n1 756358193 UVHJEXUMIQHYGX-UHFFFAOYSA-N 273.318 -0.019 50 20 CBGD NC(=O)[C@@H]1CC[C@@H](CNC(=O)NNC(=O)C2CCCC2)O1 760204194 OJDJQESIYPQZON-UWVGGRQHSA-N 298.343 -0.460 50 20 CBGD NC(=O)[C@H]1CC[C@@H](CNC(=O)NNC(=O)C2CCCC2)O1 760204195 OJDJQESIYPQZON-VHSXEESVSA-N 298.343 -0.460 50 20 CBGD COC(=O)NNC(=O)[C@@H]1CCCCN1S(C)(=O)=O 765842890 WVAKRCWWUQUTMC-ZETCQYMHSA-N 279.318 -0.812 50 20 CBGD O=C(CO)NNC(=O)c1cncnc1-c1ccccc1 810919143 CCLJCGRVUVTKEW-UHFFFAOYSA-N 272.264 -0.103 50 20 CBGD CC1(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)COC1 814781982 HWZOPZIYCWSACO-MRVPVSSYSA-N 260.315 -0.440 50 20 CBGD CCN(CCO)NC(=O)c1cn(CCOC)c(C)cc1=O 823885170 YYQQEOYVYVCXOS-UHFFFAOYSA-N 297.355 -0.238 50 20 CBGD CC1=NO[C@@H](C(=O)NNC(=O)N2CCOCC2)C1 824621790 XRWJUVMXYHDMMY-MRVPVSSYSA-N 256.262 -0.776 50 20 CBGD CCc1nc(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n[nH]1 827114955 SEBWCDZJQNXONJ-JGVFFNPUSA-N 296.331 -0.378 50 20 CBGD C[C@H]1CN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CCO1 827268443 OQGQELRXZACZHL-IVZWLZJFSA-N 271.317 -0.127 50 20 CBGD CO[C@@H](CC(C)C)C(=O)NNC(=O)C(=O)N1CCCC1 841385444 BATOXYMJAOHONW-JTQLQIEISA-N 285.344 -0.183 50 20 CBGD CC(=O)CSCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843655496 VRSSYBFSRRPGAY-BDAKNGLRSA-N 274.342 -0.119 50 20 CBGD CNC(=S)N(C)NC(=O)COCc1ncc(C)o1 854920501 CVABURLNJDEZSJ-UHFFFAOYSA-N 272.330 -0.033 50 20 CBGD Cn1nncc1NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 857271218 FMBYHPLGWHQYTD-SSDOTTSWSA-N 264.289 -0.731 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCCSC2)N1 858696563 LTQBMCNQJKNPDT-HTQZYQBOSA-N 286.357 -0.509 50 20 CBGD Cc1cncc(/C=C/C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862457306 GMMIVVKMDBXVJX-JRBALWBOSA-N 288.307 -0.171 50 20 CBGD COC(=O)N1CCC(=NNC(=O)CS(C)(=O)=O)CC1 863187649 DKDLTAVNORSJJU-UHFFFAOYSA-N 291.329 -0.635 50 20 CBGD CCOCC(=O)NN=Cc1cn(C[C@@H]2CCCO2)nn1 872350446 SCFHPSVFNYVGSX-NSHDSACASA-N 281.316 -0.056 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCOC(C)(C)C1 872351229 SOUFESXIPKCORQ-MRVPVSSYSA-N 291.373 -0.015 50 20 CBGD C[C@H](O)CN(C)NC(=O)CNC(=O)c1ccncc1 910161291 UPGZDKZOJVZHTC-VIFPVBQESA-N 266.301 -0.845 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNC(=S)NC(C)C 1115892743 KNTKELJWDNLLFU-SSDOTTSWSA-N 260.363 -0.195 50 20 CBGD Cc1nn(C)c(C)c1C=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1317708401 XCURNOZLSKPQOH-SNVBAGLBSA-N 298.368 -0.078 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)[C@H]1CCCOC1 1323606348 XKXCKYXNKDVCEO-YUMQZZPRSA-N 273.289 -0.695 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C(=O)NC1CC1)c1ccc[nH]1 1324521708 XDMPJOKDALUILH-SSDOTTSWSA-N 279.300 -0.315 50 20 CBGD COCCCNC(=O)NNC(=O)c1cc(CN(C)C)on1 1325133499 NPOJTZCQHTWUBS-UHFFFAOYSA-N 299.331 -0.283 50 20 CBGD CCn1ncnc1C=NNC(=O)[C@H](C)OCCOC 1326783690 DILJUYBLLOAMBP-VIFPVBQESA-N 269.305 -0.200 50 20 CBGD O=C(O)CN(CC(=O)NNC(=O)C1CC1)C1CCC1 1327679545 HRUNHIVHIDLTBW-UHFFFAOYSA-N 269.301 -0.517 50 20 CBGD Cn1cc(CCC=NNC(=O)[C@H]2CCC(=O)N2)cn1 1329110613 LDRWFARUHRWWPT-SNVBAGLBSA-N 263.301 -0.267 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1ccn(CC)n1 1329566254 WODBNFOXERXOIK-UHFFFAOYSA-N 253.262 -0.601 50 20 CBGD CC1(O)CCC(NC(=O)NNC(=O)C(=O)NC2CC2)CC1 1332275185 XMWSVUYGFWAZPY-UHFFFAOYSA-N 298.343 -0.711 50 20 CBGD Cn1ccnc1CCC(=O)NNC(=O)C(=O)N1CCCC1 1347536511 GGKTXQDDVCCXSZ-UHFFFAOYSA-N 293.327 -0.878 50 20 CBGD CC[C@@H](C)C[C@@H](N)C(=O)NNC(=O)C(=O)NC(C)C 1576984184 WCEBIIDFSIVGEC-RKDXNWHRSA-N 272.349 -0.578 50 20 CBGD Cc1cc(N2CC[C@@H](B(O)O)C2)c(-c2nn[nH]n2)cn1 1592000507 UGEAQLILNIHUER-MRVPVSSYSA-N 274.093 -0.377 50 20 CBGD Cn1nncc1NNC(=O)c1cccc(-c2nn[nH]n2)n1 1592612963 GZVCOTRYLGAHRC-UHFFFAOYSA-N 286.259 -0.853 50 20 CBGD O=C(NNC(=O)[C@]1(C(=O)O)CCCO1)[C@H]1CCCCO1 1594783285 YMNSCTIZLBWZHY-PELKAZGASA-N 286.284 -0.663 50 20 CBGD Cc1csc(CCNC(=O)NNC(=O)C(=O)O)n1 1600659324 SOZKPOLUIHIEQK-UHFFFAOYSA-N 272.286 -0.591 50 20 CBGD O=C(NCc1ccnc(F)c1)NNC(=O)C(=O)O 1601545287 ATRIXSWKPIAXSP-UHFFFAOYSA-N 256.193 -0.864 50 20 CBGD COC(=O)NCC(=O)NNC(=O)c1ccccc1 48888997 DADXQNYRSWPGHV-UHFFFAOYSA-N 251.242 -0.196 50 20 CBGD CCCc1[nH]nc(C(=O)NN(C)C(N)=O)c1[N+](=O)[O-] 181083951 SCRGOJFKMFUEFN-UHFFFAOYSA-N 270.249 -0.074 50 20 CBGD C[C@H](C(=O)NN(C)C(N)=O)N1C(=O)NC2(CCCC2)C1=O 367949524 FYMYGMLCDHSYAI-SSDOTTSWSA-N 297.315 -0.719 50 20 CBGD COC(=O)NCC(=O)NNC(=O)CC(F)(F)F 490578936 LSATVOBCVGERAT-UHFFFAOYSA-N 257.168 -0.558 50 20 CBGD COC(=O)N(C)NS(=O)(=O)CCOCC1CC1 496156928 UZGQVLMKNHOQMB-UHFFFAOYSA-N 266.319 -0.054 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCc2n[nH]cc2C1 584913390 VKOBLTIIRRIUPD-SECBINFHSA-N 285.112 -0.167 50 20 CBGD CC(C)N(C)CCNC(=O)c1cccc(B(O)O)c1 584945051 FPHYKSBKIGXCSC-UHFFFAOYSA-N 264.134 -0.564 50 20 CBGD CSC[C@H](C)NC(=O)c1cccc(B(O)O)c1 584948116 IXTBUQCVBJHHOI-QMMMGPOBSA-N 253.132 -0.152 50 20 CBGD C[C@](O)(CNC(=O)c1cc(B(O)O)ccc1F)C1CC1 584956051 ZJXMEXQLTFQVQC-ZDUSSCGKSA-N 281.092 -0.604 50 20 CBGD COC[C@@H](NC(=O)c1ccc(B(O)O)cc1)[C@H]1CCCO1 584983440 ODNBOHXYGDWOGN-CHWSQXEVSA-N 293.128 -0.710 50 20 CBGD OC[C@@H](CNCc1ccc(B(O)O)o1)Cc1ccccc1 585018906 WKODQHWPXLGWEU-CYBMUJFWSA-N 289.140 -0.100 50 20 CBGD Cc1nccn1CCNCc1cccc(B(O)O)c1 585021171 QFHUZRDAYULLFL-UHFFFAOYSA-N 259.118 -0.339 50 20 CBGD CC[C@@H](NCc1ccc(B(O)O)o1)[C@@H]1CCOC1 585026779 KBJGJHASZWJMGG-MWLCHTKSSA-N 253.107 -0.136 50 20 CBGD C[C@@H]1CCCN1CCNCc1cccc(B(O)O)c1 585034918 VKXMAEROQKALQO-GFCCVEGCSA-N 262.162 -0.060 50 20 CBGD OC[C@@H](CNCc1ccc(B(O)O)o1)c1ccc(F)cc1 585046908 XCUACAWODIOFCF-LLVKDONJSA-N 293.103 -0.036 50 20 CBGD Cc1ccc2ncccc2c1S(=O)(=O)NCB(O)O 585054924 UKUUCMHJMOQRSX-UHFFFAOYSA-N 280.114 -0.166 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc(OCC(F)F)cc1 585059690 XBVYJVUKTDAMQJ-UHFFFAOYSA-N 295.072 -0.379 50 20 CBGD CN(C)c1cccc(C(=O)NNC(=O)C2=NNC(=O)C2)c1 731861960 UYJSPKSPSJJHRL-UHFFFAOYSA-N 289.295 -0.611 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)Cn1ccc([N+](=O)[O-])n1 732082351 BPILWGVZGKYZEA-UHFFFAOYSA-N 293.243 -0.716 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1nccs1 732622065 MEXHGUMRMWYHNN-ZCFIWIBFSA-N 290.370 -0.079 50 20 CBGD O=C(O)c1ccc(C(=O)NNC(=O)c2cnn[nH]2)cc1 740109578 DSXSVHVSSASDBP-UHFFFAOYSA-N 275.224 -0.422 50 20 CBGD NC(=O)c1nccnc1C(=O)NNC(=O)c1ccccc1 742240900 WMXYQKGKUQIKLH-UHFFFAOYSA-N 285.263 -0.350 50 20 CBGD O=C(NNC(=O)[C@@H]1[C@H]2CCC[C@H]21)C(=O)NC1CC1 748839284 YCYYNFWAIOUVGS-BRPSZJMVSA-N 251.286 -0.542 50 20 CBGD Cc1cc(C)n(CC(=O)NN=Cc2cnnn2C)n1 751133785 GJUDAIWLJSLOKE-UHFFFAOYSA-N 261.289 -0.221 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cnco2)n1 758094424 PVNISGFQICVFGI-UHFFFAOYSA-N 263.257 -0.051 50 20 CBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)CO)c(C)c1 764430470 WQSDIAFPUJNWOJ-UHFFFAOYSA-N 295.295 -0.528 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1cn(CC)c(C)n1 768039073 FKKPJVCYIBYSIZ-UHFFFAOYSA-N 275.334 -0.276 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)Cn1cnc(C#N)n1 769067735 OGFVQDNRFSSJMP-UHFFFAOYSA-N 284.279 -0.081 50 20 CBGD COc1ccccc1C(=O)NNC(=O)C1(O)CCOCC1 772942088 ZONMWWWARAEKNI-UHFFFAOYSA-N 294.307 -0.002 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cnc2ncccn12 779823421 QLGVWTKPWVGXJQ-UHFFFAOYSA-N 276.256 -0.465 50 20 CBGD CC[C@@H](C(=O)NNC(=O)c1c[nH]nc1C)C(=O)OC 790600507 YVOAXXYAVNADPM-ZETCQYMHSA-N 268.273 -0.322 50 20 CBGD Cc1ccc(NNC(=O)NCC2(S(C)(=O)=O)CC2)nn1 793257063 OKDQDXHMNKYJJY-UHFFFAOYSA-N 299.356 -0.012 50 20 CBGD CN1C(=O)C(=O)N(CC(=O)NNc2ncccc2F)C1=O 804216879 OEDRJDCPGQQHAF-UHFFFAOYSA-N 295.230 -0.916 50 20 CBGD Cc1occc(=O)c1OCC(=O)NN(C)[C@H](C)CO 823384564 ORPUVVHACIPXDC-MRVPVSSYSA-N 270.285 -0.329 50 20 CBGD CC[C@H](C)[C@H](NC(C)=O)C(=O)NN(CC)CCO 823884829 LFIKCLPHYBPHEY-ONGXEEELSA-N 259.350 -0.117 50 20 CBGD C[C@H](CO)N(C)NC(=O)CCCN1C(=O)CCC1=O 823970327 FBFKQNOTKRILNK-SECBINFHSA-N 271.317 -0.741 50 20 CBGD CCOC(=O)Cn1cnc(NC(=O)NNC(C)=O)n1 824448554 IWGFIUBMKQAGLS-UHFFFAOYSA-N 270.249 -0.986 50 20 CBGD Cc1nccn1CCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 826063124 XVPZSICSYUKFKH-GXSJLCMTSA-N 295.343 -0.053 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@H]1C(=O)O 828441911 VKPURPBKPBAOSM-CBAPKCEASA-N 269.301 -0.804 50 20 CBGD CCO[C@@H](CC)C(=O)NNC(=O)N1CCN(C)CC1 839733931 MNCKMSSZGJECOU-JTQLQIEISA-N 272.349 -0.210 50 20 CBGD NCC(F)(F)CNC(=O)NNc1nc2ccccn2n1 841970859 BRSGIFZGYBEQJT-UHFFFAOYSA-N 285.258 -0.051 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)N1CCC[C@H]1C 842589628 KQFQESDGIBIYPS-KXUCPTDWSA-N 291.373 -0.239 50 20 CBGD O=C(NNC(=O)[C@@H]1CCn2cncc2C1)c1cc[nH]n1 855357434 JGIIOTRMDCHNEO-MRVPVSSYSA-N 274.284 -0.370 50 20 CBGD C#CCCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858295638 HEYZTXKBAKVGCN-VIFPVBQESA-N 266.301 -0.601 50 20 CBGD CC(C)CCN(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858694601 RKRDEMIDBYMJQA-SECBINFHSA-N 270.333 -0.016 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCNC2)cc1 861705934 SPYFZEIPCKIGHZ-LLVKDONJSA-N 273.296 -0.136 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)ns1 862459032 LSWDRBUMGPBQOP-LURJTMIESA-N 268.298 -0.509 50 20 CBGD Cc1[nH]c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C)c1C=O 862464242 VPRLSEHXVBZTSQ-VIFPVBQESA-N 292.295 -0.516 50 20 CBGD C[C@H](C(=O)NNC(=O)c1cn[nH]c1)c1cnn(C)c1 862471972 DRVPWBFULAMYHT-ZETCQYMHSA-N 262.273 -0.292 50 20 CBGD CCN(CC)C(=O)CCC(=O)NNC(=O)c1cn[nH]c1 862472601 NZSNCWAMBCACIF-UHFFFAOYSA-N 281.316 -0.181 50 20 CBGD C[C@H]1CN(C(=O)OC(C)(C)C)CC1=NNC(=O)C(N)=O 863065940 OUALFSFRNXPZHB-ZETCQYMHSA-N 284.316 -0.169 50 20 CBGD O=C1CC[C@@H](C(=O)NNS(=O)(=O)C2=CCCCC2)N1 863411921 CTCVFTDCFYPWQE-VIFPVBQESA-N 287.341 -0.327 50 20 CBGD CC1(C)C(C(=O)NNC(=O)CS(C)(=O)=O)C1(C)C 863462477 DMGHPAQJWJDHHK-UHFFFAOYSA-N 276.358 -0.139 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ncc2ccccn12 867672907 ZVWDAEQNBPSQET-UHFFFAOYSA-N 262.269 -0.134 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C=C/CN1CCOCC1 869067767 HIZLOOLZLICUIP-LMZQTDFCSA-N 297.355 -0.553 50 20 CBGD CCC[C@@H](OC)C(=O)NNC(=O)COCCOC 869904094 PJYFKQCACUCBKD-SECBINFHSA-N 262.306 -0.388 50 20 CBGD COC(=O)N(C)NC(=O)N[C@H](C)[C@@H]1CN(C)CCO1 875400250 KSKXXIXIXTZIFH-BDAKNGLRSA-N 274.321 -0.382 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)C(=O)NCC(F)F 899996128 NYKAGUQTPQKCNC-UHFFFAOYSA-N 282.316 -0.339 50 20 CBGD CC[C@@H](C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)N(C)C 908279381 LJZLHOMUGCGAJF-MNOVXSKESA-N 291.417 -0.181 50 20 CBGD CC[C@H](O)[C@@H](C)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 908281950 YKMHFWMJLSFVQA-VWYCJHECSA-N 292.401 -0.114 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cn(C(C)(C)C)nn1 910151798 GHKMKITVUWHBSX-QMMMGPOBSA-N 255.322 -0.010 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H](C)N1CCSCC1 910160592 LHTJRUBNQKXSKA-UWVGGRQHSA-N 261.391 -0.233 50 20 CBGD CCCCS(=O)(=O)N1CCC(C(=O)NN)CC1 916039577 FCQJYJLHZPNHDB-UHFFFAOYSA-N 263.363 -0.182 50 20 CBGD C=CCNC(=S)NNC(=O)CCCCNC(N)=O 1115817308 SJDPVMWQNGAPQD-UHFFFAOYSA-N 273.362 -0.494 50 20 CBGD O=C(CCc1cn[nH]c1)NNC(=O)Cc1cc[nH]n1 1118909384 BZSYGZGWJWUZLM-UHFFFAOYSA-N 262.273 -0.545 50 20 CBGD CCn1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)c(C)n1 1120345306 UBIRFYGANRCORN-JTQLQIEISA-N 263.301 -0.060 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cnc(C)s1 1320358783 XVPOLJZETPKULB-UHFFFAOYSA-N 272.286 -0.816 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc2nnc(O)n2c1 1324564359 BLZCMKNFTMXKPM-UHFFFAOYSA-N 264.245 -0.649 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(O)n(C)n1 1328083876 MHTFJKLBDAEODK-UHFFFAOYSA-N 297.315 -0.809 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)C2(C(=O)C3CC3)CC2)N1 1329172693 NCBHTBVXXYCBBE-MRVPVSSYSA-N 279.296 -0.828 50 20 CBGD Cc1cccc(NNC(=O)c2cnn(C[C@H](O)CO)c2)n1 1329536844 DCKQZDYPLLOCSK-NSHDSACASA-N 291.311 -0.303 50 20 CBGD Cc1nnc2n1C[C@@H](C(=O)NN(C)C[C@@H](C)O)CC2 1332148238 KPZXSCGGALLDQY-SCZZXKLOSA-N 267.333 -0.507 50 20 CBGD C[C@H](O)CN(C)NC(=O)Cn1cc(C2CC2)nn1 1332629273 JAIYRQOMWSBCGV-QMMMGPOBSA-N 253.306 -0.501 50 20 CBGD CCCNC(=O)NNC(=O)c1ccc(=O)n(C)c1 1335964097 WANKBVMIHNIHRX-UHFFFAOYSA-N 252.274 -0.261 50 20 CBGD O=C(NN=Cc1cc[nH]n1)[C@H]1CCS(=O)(=O)C1 1341144218 JLJVXERPPOAPFP-ZETCQYMHSA-N 256.287 -0.706 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1CCC[C@H]1CCO 1343128854 GCDUXDRFOILCFF-WCBMZHEXSA-N 298.343 -0.854 50 20 CBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 1574282190 RYQTZLYBIPRVCL-TXMIUUAVSA-N 282.296 -0.188 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@H]2NCC23CCCC3)n[nH]1 1579590359 YEYUENNOEOICQP-LBPRGKRZSA-N 291.355 -0.060 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCN)c(C2CCCC2)n1 1579953204 NTFLUHYXPQDHIG-UHFFFAOYSA-N 294.359 -0.020 50 20 CBGD O=C(NNC(=O)c1ccncc1)C1=NO[C@@]2(CCNC2)C1 1580736963 FFHXYUUDWQWPGB-ZDUSSCGKSA-N 289.295 -0.649 50 20 CBGD O=C(NNC(=O)[C@@H](C(=O)O)C1CC1)c1cccnc1 1594779612 VAKCXTKWNKYVBC-VIFPVBQESA-N 263.253 -0.047 50 20 CBGD O=C(CCO)NNC(=O)Nc1ccc(C(=O)O)nc1 1601280678 VRUQFRZAHDFYLC-UHFFFAOYSA-N 268.229 -0.685 50 20 CBGD O=C(Cn1ccc(C(=O)O)n1)NNC(=O)[C@H]1CCCS1 1601384875 QPAUACPEIMNYHA-MRVPVSSYSA-N 298.324 -0.376 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=CCC(C)(C)C(=O)O 1609784612 CKSJRVXKXPHPPM-SSDOTTSWSA-N 293.345 -0.473 50 20 CBGD CC[C@H](C(=O)O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1609886502 NDIHFHWHRVBRGR-BIIVOSGPSA-N 258.274 -0.330 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(C(=O)O)cn1 1610008592 PCNKCMXLEVDPKH-UHFFFAOYSA-N 252.230 -0.256 50 20 CBGD CN1N=C(C(=O)NNc2ccc(C(=O)O)cn2)CCC1=O 1610141369 ARCWXYCWHAQQDB-UHFFFAOYSA-N 291.267 -0.169 50 20 CBGD CC(=O)NNC(=O)Nc1ccc2c(c1)C(=O)NC2=O 49206615 CTGBICVQFOXKFL-UHFFFAOYSA-N 262.225 -0.257 50 20 CBGD CCNC(=O)NNC(=O)Cn1c(=O)n(C)c2ccccc21 65190349 RWCDINALPDRGTF-UHFFFAOYSA-N 291.311 -0.310 50 20 CBGD O=C(CO)NNC(=O)c1cc(-n2cccn2)ccn1 180960657 UZZZXJIRRLQSHZ-UHFFFAOYSA-N 261.241 -0.979 50 20 CBGD Cc1ncc(C(=O)NNC(=O)CN(C)C)c(C)n1 181887281 SLEQFKHRVMEODL-UHFFFAOYSA-N 251.290 -0.584 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 264394596 MXUKFSANTGXLHH-LLVKDONJSA-N 291.307 -0.200 50 20 CBGD CN1CC[C@@H](NC(=O)NNC(=O)C2CCC2)C1=O 265797795 MSSVVGKAALXEBF-MRVPVSSYSA-N 254.290 -0.652 50 20 CBGD NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 270198995 FQAJMMUSYVBTFD-ZETCQYMHSA-N 275.355 -0.109 50 20 CBGD O=C(NNC(=O)C1CCC1)c1ccc2[nH]c(=O)[nH]c2n1 283076053 NSGFKIYCYCMJQI-UHFFFAOYSA-N 275.268 -0.188 50 20 CBGD COC(=O)NNC(=O)CN1C(=O)c2ccc(C)cc2C1=O 490576343 OOWPMCFMXSVMGM-UHFFFAOYSA-N 291.263 -0.022 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1CCCc2nn[nH]c21 584910323 AMIUFARDSMYRBI-JTQLQIEISA-N 286.100 -0.457 50 20 CBGD CCN1CCC[C@H]1CNC(=O)c1ccc(B(O)O)c(F)c1 584925447 HAKJXNCAILZQHK-NSHDSACASA-N 294.135 -0.280 50 20 CBGD CC1(C)C[C@]1(C#N)NC(=O)c1ccc(B(O)O)cc1 584991177 VRFOFHFOWVSDKV-CYBMUJFWSA-N 258.086 -0.212 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@H](CO)CC1 584995710 XXBWOVSIUCANJU-NSHDSACASA-N 277.129 -0.399 50 20 CBGD CC[C@@H](O)[C@@H](CC)NC(=O)c1cccc(B(O)O)c1 584996660 NRGIYFNVRAKGOD-VXGBXAGGSA-N 265.118 -0.354 50 20 CBGD C[C@H]1C[C@@H](CO)CN(C(=O)c2ccc(B(O)O)cc2)C1 584998876 BPVFTIVUBQSAQE-WDEREUQCSA-N 277.129 -0.543 50 20 CBGD OB(O)c1cccc(CNCC2(O)CCSCC2)c1 585016494 NYLBPZFFFFINQQ-UHFFFAOYSA-N 281.186 -0.286 50 20 CBGD CSCC[C@H](CO)NCc1cccc(B(O)O)c1 585029593 HHPJBPJLZVNSNI-GFCCVEGCSA-N 269.175 -0.430 50 20 CBGD CO[C@@H](CNCc1ccc(B(O)O)cc1F)[C@@H]1CCOC1 585046582 WPGMPJFYSYXSNL-RISCZKNCSA-N 297.135 -0.353 50 20 CBGD Cn1nnc2c1CC[C@H](NCc1ccccc1B(O)O)C2 585046790 YIKUXRXNCQHCHC-NSHDSACASA-N 286.144 -0.858 50 20 CBGD CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCB(O)O 585053608 BAHOYEBNFQEZCE-SECBINFHSA-N 284.146 -0.369 50 20 CBGD CO[C@@H](CC(C)C)CS(=O)(=O)N1CC[C@@H](B(O)O)C1 585055603 BVHCCVXIBPAWDP-MNOVXSKESA-N 293.194 -0.074 50 20 CBGD Cc1ccc(S(=O)(=O)NCB(O)O)c(F)c1F 585057392 SNBUAKPXHADKHN-UHFFFAOYSA-N 265.046 -0.436 50 20 CBGD CCOc1cccc2c1OCC(C(=O)NCB(O)O)=C2 585061763 GFPANONTLHZDLK-UHFFFAOYSA-N 277.085 -0.011 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCN2CCCC[C@@H]12 731280978 KWGAGTPENXVUKZ-MNOVXSKESA-N 284.360 -0.020 50 20 CBGD CCNS(=O)(=O)CCNC(=O)NNC(=O)C1CCC1 732247263 CRVOTIRQEAELIF-UHFFFAOYSA-N 292.361 -0.944 50 20 CBGD O=C(NNC(=O)c1cncc(O)c1)C(=O)N1CCCC1 732279883 RSTSTPFXPYZTQC-UHFFFAOYSA-N 278.268 -0.829 50 20 CBGD C[C@H]1OCCC1=NNC(=O)Cc1cc(O)nc(O)n1 747765166 WGCJEHYQKRLQJM-ZCFIWIBFSA-N 266.257 -0.289 50 20 CBGD O=C(CCCn1cccn1)NNC(=O)N1CCOCC1 749219044 IINFMHGZNGQBKF-UHFFFAOYSA-N 281.316 -0.264 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@](F)(C(=O)OC)C1 752308347 HBIRSKPSPMEWNJ-UFBFGSQYSA-N 289.307 -0.481 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)o1 752781285 RPMAZGIPEINLST-SSDOTTSWSA-N 251.242 -0.372 50 20 CBGD COCC(=O)NNC(=O)Nc1ccc(C(N)=O)c(C)c1 756403097 WIDHHLZYLGRJDU-UHFFFAOYSA-N 280.284 -0.107 50 20 CBGD CN(NC(=O)CCNC(=O)c1ccco1)C(N)=O 770436305 COYPEAGXLSXMGT-UHFFFAOYSA-N 254.246 -0.559 50 20 CBGD Cc1ccc(NCC(=O)NNC(=O)c2nc[nH]n2)cc1 772710041 XCFWLRHZJMKUBV-UHFFFAOYSA-N 274.284 -0.014 50 20 CBGD CNS(=O)(=O)CCNC(=O)NNC(=O)C1CCCC1 784659486 VWZDBELIVHIURS-UHFFFAOYSA-N 292.361 -0.944 50 20 CBGD Cc1cncc(CCC(=O)NNC(=O)C(=O)NC(C)C)c1 794234128 IEDXNIBRXFLKOV-UHFFFAOYSA-N 292.339 -0.005 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)N=c1cc[nH]cc1 802033137 ZYLALDKAXXYIDG-SECBINFHSA-N 294.315 -0.507 50 20 CBGD O=C(C[C@H]1CCCC(=O)N1)NNC(=O)NCC1CC1 813423885 BTCYKEDVQOXRTA-SECBINFHSA-N 268.317 -0.214 50 20 CBGD CN(CC(=O)NN(C)C1CC1)c1ncnc2[nH]cnc12 819646920 FMTLYJIOIPYGIF-UHFFFAOYSA-N 275.316 -0.086 50 20 CBGD CC(C)(C)C(=O)NNC(=O)C1(n2cnnn2)CC1 822250860 AMAQNEXNVSEUIS-UHFFFAOYSA-N 252.278 -0.644 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC(=O)N(C2CC2)C1 827274970 RGCJXKYEHOXCHO-WCBMZHEXSA-N 296.327 -0.584 50 20 CBGD COc1cc(C)nc(NNC(=O)C[C@H]2CC(=O)N2)n1 829482001 IADZKYUEMBOMNA-SSDOTTSWSA-N 265.273 -0.485 50 20 CBGD O=C(O)CCCNC(=S)NNC(=O)Cc1ccncc1 833227798 NPEHKJZKNDHIFF-UHFFFAOYSA-N 296.352 -0.016 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CN1CSCC1=O 843643019 BWGZXKNFZNNRSY-YUMQZZPRSA-N 287.341 -0.908 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnn2cccnc12 843644676 PKXSQAGOSHYMGQ-DTWKUNHWSA-N 289.295 -0.085 50 20 CBGD CNC(=S)N(C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 854921778 ZZFTWFMWFJLKSH-UHFFFAOYSA-N 258.263 -0.601 50 20 CBGD CN(NC(=O)C(=O)OC(C)(C)C)C(=O)N1CCNCC1 857766874 WTNRVEIGYUAACB-UHFFFAOYSA-N 286.332 -0.684 50 20 CBGD C[C@@H]1CC[C@@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858378816 SFXZOSJILAQZFU-HLTSFMKQSA-N 268.317 -0.216 50 20 CBGD CO[C@H]1C[C@H](NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1 858571426 FTICSPYJWWRSCR-XKNYDFJKSA-N 271.317 -0.081 50 20 CBGD C[C@@H]1CC[C@@H](CCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)O1 862455932 KPWASTBLZNICPQ-UTLUCORTSA-N 283.328 -0.240 50 20 CBGD C[C@@H](Cc1cnn(C)c1)C(=O)NNC(=O)c1cn[nH]c1 862469310 GGVBYIHGJFNBDT-QMMMGPOBSA-N 276.300 -0.217 50 20 CBGD Cc1cc(=NNC(=O)Cn2cc([C@@H](C)O)nn2)cc[nH]1 862512610 CGWJOSKBDSVBBP-SECBINFHSA-N 276.300 -0.400 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C1(F)CCCC1 863465075 RPZJQGAGDWOFQA-UHFFFAOYSA-N 266.294 -0.539 50 20 CBGD CO[C@H](C(=O)NNC(=O)CO)c1ccc(F)cc1 863903648 OOYMEIBOZDZGIC-JTQLQIEISA-N 256.233 -0.347 50 20 CBGD Cc1cc(=NNC(=O)NCc2ncn(C)n2)cc[nH]1 875443893 BZDGSACPTHRGKX-UHFFFAOYSA-N 261.289 -0.233 50 20 CBGD CC[C@@H](CN1CCOCC1)NCc1cccc(B(O)O)c1 896619395 UVOMPXNYQHOGOX-HNNXBMFYSA-N 292.188 -0.433 50 20 CBGD C[C@H](O)CN(C)NC(=O)CSc1nncs1 910168761 QQTIVKAUMQAKRG-LURJTMIESA-N 262.360 -0.026 50 20 CBGD Cc1cnc2c(C(=O)NN(C)C[C@@H](C)O)cnn2c1 910182704 IOWWFLGFZKWZMD-SECBINFHSA-N 263.301 -0.005 50 20 CBGD NS(=O)(=O)c1ccccc1NNC(=O)c1cncnc1 1116837646 JPAQOONIBXWIMA-UHFFFAOYSA-N 293.308 -0.119 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCC(F)(F)F)nn1 1117708987 BYKMKOAHXGHBJY-UHFFFAOYSA-N 266.183 -0.679 50 20 CBGD C[C@H](C(=O)NNC(=O)c1ccc[nH]1)[C@@H]1CCC(=O)N1 1118803815 OUSPWISMEOQLKW-YUMQZZPRSA-N 264.285 -0.310 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)C(=O)Nc1ccccn1 1253329791 MMEVLQPBJMIQGK-SECBINFHSA-N 292.295 -0.263 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H](F)C(F)(F)F 1261835535 YQVIKJBWNLITFM-SCSAIBSYSA-N 280.199 -0.921 50 20 CBGD CC(=O)NNS(=O)(=O)c1cccc2c1COC2=O 1317927545 RTZHPYUFYFANNN-UHFFFAOYSA-N 270.266 -0.314 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)[nH]1 1319597283 XQPJHDUDJVNZBZ-UHFFFAOYSA-N 275.268 -0.730 50 20 CBGD CC(=O)NNC(=O)Cc1ccccc1S(C)(=O)=O 1321386092 WKPOHOBEUJLWIG-UHFFFAOYSA-N 270.310 -0.200 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCc1cnc[nH]1 1321505973 BZHNNGSNKCEUSS-UHFFFAOYSA-N 295.343 -0.206 50 20 CBGD Cn1nncc1CNC(=O)NNC(=O)c1ccccc1O 1323146016 BODHTRYZTWPWFR-UHFFFAOYSA-N 290.283 -0.335 50 20 CBGD COC(=O)C(=O)NNC(=S)NCCc1cccnc1 1323495331 DWXFDHDMICDDLL-UHFFFAOYSA-N 282.325 -0.708 50 20 CBGD Cc1nnsc1C=NNC(=O)C(=O)NC(C)C 1324883871 RWHPJSNBRKEMRG-UHFFFAOYSA-N 255.303 -0.179 50 20 CBGD C=CCNC(=S)NNC(=O)C[C@@H]1COC(=O)C1 1325108094 NMBUOWXNIHAZCR-ZETCQYMHSA-N 257.315 -0.379 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2ncncc2C1)c1ccnnc1 1326662923 VZUXLSLKBAMONA-VIFPVBQESA-N 298.306 -0.167 50 20 CBGD CC(=O)N[C@@H](C)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1327707308 DOXKXKICDZEFMK-WCBMZHEXSA-N 291.373 -0.997 50 20 CBGD Cn1ncc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1Cl 1331691934 RZISZFWELQZHQB-LURJTMIESA-N 285.691 -0.887 50 20 CBGD Cn1cnc(S(=O)(=O)NNC(=O)C2CCC2)c1 1338826448 XRYXHPRKESUADV-UHFFFAOYSA-N 258.303 -0.470 50 20 CBGD COC(=O)Cc1ccc(NNC(=O)[C@H]2CCNC2=O)cc1 1347804971 DXXGMOMIAWEKSM-NSHDSACASA-N 291.307 -0.019 50 20 CBGD Cc1cc(O)ccc1CC(=O)NNC(=O)[C@H]1COCCO1 1548660658 BHISTZNSALHLEU-GFCCVEGCSA-N 294.307 -0.194 50 20 CBGD Cn1ccnc1[C@H]1OCCC[C@H]1C=NNC(=O)CO 1552449968 RQCWKZOJBKLFHK-ONGXEEELSA-N 266.301 -0.018 50 20 CBGD C[C@@H]1CCN[C@H](C(=O)NNC(=O)c2cnsn2)C1 1576745297 QHPWCUOQYXLAQW-RQJHMYQMSA-N 269.330 -0.313 50 20 CBGD COC[C@H](N)C(=O)NNC(=O)c1ccc(OC)c(OC)c1 1579086943 OWPSIESSUSPHQM-VIFPVBQESA-N 297.311 -0.562 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccc(C(=O)O)cn1 1593456321 CDODQAIKSDYEHR-ZETCQYMHSA-N 253.258 -0.263 50 20 CBGD CCC(CC)(NC(=O)c1ccc(B(O)O)cc1)C(=O)O 1595098016 BSKGWFVIHFHQOO-UHFFFAOYSA-N 279.101 -0.260 50 20 CBGD COCC(=O)NNC(=O)Nc1cnc(C)c(C(=O)O)c1 1599142459 CKNYQUSQKAPHDN-UHFFFAOYSA-N 282.256 -0.113 50 20 CBGD Cc1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)C(=O)O 1600425030 YRYGFYHJJHWTKE-UHFFFAOYSA-N 299.670 -0.181 50 20 CBGD Cn1nc(C(=O)O)cc1C(=O)NNC(=O)c1ccc[nH]1 1601001587 JMTWYJVNGMIDJQ-UHFFFAOYSA-N 277.240 -0.479 50 20 CBGD O=C(N[C@H](CC1CC1)C(=O)O)c1cccc(B(O)O)c1 1601408370 BOJGBEYUWZBNHY-LLVKDONJSA-N 277.085 -0.651 50 20 CBGD Cn1cc(C(=O)NNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)nn1 1605481044 GPPZHJJVPHVRLU-RQJHMYQMSA-N 296.287 -0.988 50 20 CBGD CC(C)c1cccc(NC(=O)C(=O)NNC(=O)C(=O)O)c1 1609720808 NEXIRZAVLYXIPI-UHFFFAOYSA-N 293.279 -0.020 50 20 CBGD CNC(=O)NNC(=O)CCNC(=O)c1ccc(F)cc1 48950930 BZRJIJQRJFDPMT-UHFFFAOYSA-N 282.275 -0.094 50 20 CBGD CCNC(=O)NNC(=O)CNC(=O)c1ccco1 49183680 YPEMOBRNIUJPJG-UHFFFAOYSA-N 254.246 -0.640 50 20 CBGD CCOC(=O)NCC(=O)NNc1ncnc2nc[nH]c12 266420255 AHFVPCCKTHFWCA-UHFFFAOYSA-N 279.260 -0.458 50 20 CBGD CNC(=O)NNC(=O)[C@](C)(O)Cc1ccccc1 266893085 WVNLSCWALAWSQO-GFCCVEGCSA-N 251.286 -0.060 50 20 CBGD NC(=O)c1ccccc1NCC(=O)NNC(=O)C1CC1 277626372 YPQFWOUYPNYFOB-UHFFFAOYSA-N 276.296 -0.245 50 20 CBGD CN(C(=O)c1cccc(B(O)O)c1)C1(C#N)CCC1 584935044 WYCSDGFZHQHIMN-UHFFFAOYSA-N 258.086 -0.115 50 20 CBGD CC1(C)CN(C(=O)c2cccc(B(O)O)c2)CC[S@@]1=O 584956826 BMDAJBBRZAZSLG-FQEVSTJZSA-N 295.169 -0.651 50 20 CBGD CC1(C)CN(C(=O)c2ccc(B(O)O)cc2)CC[S@]1=O 584957608 JUVCWPWRIYHGMF-HXUWFJFHSA-N 295.169 -0.651 50 20 CBGD O=C(N[C@@H]1CCCC[C@H]1CO)c1ccc(B(O)O)cc1 584960859 VVLYWHXMUMLRIC-WCQYABFASA-N 277.129 -0.353 50 20 CBGD C[C@@]1(CO)CCC[C@@H]1NC(=O)c1ccc(B(O)O)cc1 584963249 WSAVJSFLTUOSNI-JSGCOSHPSA-N 277.129 -0.353 50 20 CBGD C[C@H](NC(=O)c1cccc(B(O)O)c1)C1=CCN(C)CC1 584971954 IRUBGOQXRROEME-NSHDSACASA-N 288.156 -0.253 50 20 CBGD CC1(C)COCCN1C(=O)c1cc(B(O)O)ccc1F 584985236 JWPCKLAMBRNLLA-UHFFFAOYSA-N 281.092 -0.244 50 20 CBGD C[C@H](NCc1ccccc1B(O)O)c1ncnn1C 585037640 FSAABCGTBNXSNW-VIFPVBQESA-N 260.106 -0.654 50 20 CBGD OC[C@H](NCc1cccc(B(O)O)c1)[C@@H]1CCCOC1 585046051 LXZPFMBJJZNVBB-OCCSQVGLSA-N 279.145 -0.757 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)c2cnn[nH]2)s1 729458324 UAGFCSKDYDVYNM-UHFFFAOYSA-N 280.269 -0.960 50 20 CBGD O=C(CO)NNC(=O)Nc1cccc(N2CCNC2=O)c1 755817599 KISRSKUDDUUEET-UHFFFAOYSA-N 293.283 -0.639 50 20 CBGD COc1ccnc(C(=O)NNC(=O)C(C)(C)O)c1 768256681 WRRBXDKOSOZXLX-UHFFFAOYSA-N 253.258 -0.378 50 20 CBGD CNC(=O)NNC(=O)Cc1n[nH]c2c1CCCC2 777239163 IXDGUTYRYCSUKK-UHFFFAOYSA-N 251.290 -0.209 50 20 CBGD COc1ccc(-n2ccc(C(=O)NNC(=O)CO)n2)cc1 777782895 VMSHWBTVMLMLGB-UHFFFAOYSA-N 290.279 -0.366 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CCC[C@H]1CCO 779710601 IUTSTWPRJVMALM-UWVGGRQHSA-N 273.333 -0.096 50 20 CBGD Cn1ncc(C(=O)NNC(=O)c2cccc(C#N)c2)n1 786088617 LFBLKUYDHXDYMY-UHFFFAOYSA-N 270.252 -0.238 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccn(CC(F)F)n1 790041902 GJHUWAZKNNQAGS-UHFFFAOYSA-N 276.243 -0.320 50 20 CBGD C=CCNC(=S)NNC(=O)c1ccc(C(=O)NC)nc1 798306238 BQJDZOXSMUZWFN-UHFFFAOYSA-N 293.352 -0.264 50 20 CBGD COCCC(C)=NNC(=O)[C@H]1CCS(=O)(=O)C1 814781195 AXMKCIDFOQSNEP-VIFPVBQESA-N 262.331 -0.050 50 20 CBGD COc1cc(C(=O)NN)cc(Cl)c1OCC(N)=O 822219819 SFVXXOZWYNOXAJ-UHFFFAOYSA-N 273.676 -0.184 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(C(=O)NC2CC2)CC1 843976868 ZMVOOLLRBMRORB-SCZZXKLOSA-N 295.339 -0.382 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2nnnn2CC1)C1CCCC1 845192471 RXKNIRVQDIOWJW-SNVBAGLBSA-N 292.343 -0.037 50 20 CBGD COC(=O)NC1CCN(CC(=O)NNC(=O)C2CC2)CC1 852767755 XERGXWVJUXZUGT-UHFFFAOYSA-N 298.343 -0.636 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CCCN1C=O 854185889 OIMWBFFWPWNKMA-MRVPVSSYSA-N 256.331 -0.712 50 20 CBGD CCS(=O)(=O)N[C@H](C)C(=O)NNc1ccncn1 854747472 PNISSMVEOKDAOB-SSDOTTSWSA-N 273.318 -0.753 50 20 CBGD Cn1ncc(C(=O)NNC(=S)NCC2CCC2)c1N 855089409 PYBMPIHSGJRNAI-UHFFFAOYSA-N 282.373 -0.089 50 20 CBGD O=C(CN1CCCCC1=O)NNC(=O)c1cc[nH]n1 855359518 VAPIWDIIFCIOLQ-UHFFFAOYSA-N 265.273 -0.817 50 20 CBGD CC(C)=CCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858388072 SBANKJZTPXWXKC-VIFPVBQESA-N 268.317 -0.048 50 20 CBGD CSC(C)(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862463961 PNIGNRRHYIZSMI-LURJTMIESA-N 259.331 -0.446 50 20 CBGD CC(=O)N[C@H](C(=O)NNC(=O)c1cn[nH]c1)C(C)C 862473959 JBXAIIJTOVRQFT-VIFPVBQESA-N 267.289 -0.669 50 20 CBGD Cc1cccc(NNC(=O)CCNS(C)(=O)=O)n1 862524630 OVUABYQSQLREQE-UHFFFAOYSA-N 272.330 -0.228 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@H](C(F)F)C1 868097944 QJFYKFPPZAAVMM-SNVBAGLBSA-N 285.055 -0.528 50 20 CBGD CO[C@@]1(C)C[C@H]1NC(=O)NNC(=O)C1CCOCC1 883731371 OLOJXKVKGVAWCG-SKDRFNHKSA-N 271.317 -0.079 50 20 CBGD CN(C)C(=O)NNC(=O)CN1CSCCSC1 900427375 JFYPFIBSLMLPJS-UHFFFAOYSA-N 278.403 -0.014 50 20 CBGD CCC(=O)N1CCC[C@H](C(=O)NN(C)C[C@H](C)O)C1 910169418 DFRATHCABOUGFW-QWRGUYRKSA-N 271.361 -0.021 50 20 CBGD C/C(Cl)=C/C(=O)NNC(=O)CN1CCCC1=O 913733360 GGPCFIYMBHPALG-ALCCZGGFSA-N 259.693 -0.101 50 20 CBGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)C1CC1 915685177 ZQGLOWMILNOKPN-UHFFFAOYSA-N 262.331 -0.385 50 20 CBGD Cc1cc(=NNC(=O)N[C@@H]2COC(=O)C2)cc[nH]1 923758485 UOWJNKXNLOEJAK-VIFPVBQESA-N 250.258 -0.246 50 20 CBGD CCC[C@H](O)C(=O)NNC(=O)N1CCN(C)CC1 935859699 ATAPCJSGKPRUGS-VIFPVBQESA-N 258.322 -0.864 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1c(C)cnn1CC1CC1 1116598672 QMACSUMMDTYROQ-UHFFFAOYSA-N 279.300 -0.293 50 20 CBGD C[C@@H](NC(=O)NNc1ncccn1)c1nnnn1C 1123640819 DSACHGSDYCXWCQ-ZCFIWIBFSA-N 263.265 -0.613 50 20 CBGD Cc1n[nH]c(C)c1[C@@H](C)C(=O)NNC(=O)C(=O)NC(C)C 1254581637 GACRJDYDTVGITP-SSDOTTSWSA-N 295.343 -0.198 50 20 CBGD CSc1ccc(NC(=O)C(=O)NNC(C)=O)cn1 1254888813 OBJTZUVLICTZNT-UHFFFAOYSA-N 268.298 -0.091 50 20 CBGD CNC(=O)c1ccc(C(=O)NN(C)C(N)=O)cn1 1319992698 ZNEMSYRQXCFZGK-UHFFFAOYSA-N 251.246 -0.904 50 20 CBGD Cc1nc(N)sc1C(=O)NN=Cc1cn(C)nn1 1320193967 ROXLBIZMHJKVCD-UHFFFAOYSA-N 265.302 -0.074 50 20 CBGD CC(C)CC(=O)NNC(=O)C(=O)Nc1cccn(C)c1=O 1320230139 BHYBNOHOTUVILJ-UHFFFAOYSA-N 294.311 -0.483 50 20 CBGD O=C(NN=C1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1320777807 VCVKJVTWZMMWSX-HNHGDDPOSA-N 274.342 -0.172 50 20 CBGD Cn1nncc1S(=O)(=O)NNC(=O)c1ccccc1O 1321014880 UTEWINNPEPJNDE-UHFFFAOYSA-N 297.296 -0.856 50 20 CBGD O=C(NCCn1cncn1)NNC(=O)c1ccccc1O 1322524853 LQAVWIUWNBDZOL-UHFFFAOYSA-N 290.283 -0.372 50 20 CBGD Cc1cc(NC(=O)C(=O)NNC(=O)C(C)C)n(C)n1 1323940000 DGVUCAAZNBONJH-UHFFFAOYSA-N 267.289 -0.530 50 20 CBGD COCCn1cc(C(=O)NNC(=O)NC2CC2)cn1 1329701524 WCVOQPGMHVTUMC-UHFFFAOYSA-N 267.289 -0.364 50 20 CBGD CCn1ncnc1C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1 1549317707 YPXRDXLCWZFRRW-GHMZBOCLSA-N 292.343 -0.389 50 20 CBGD CN(N)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1573877325 MXYWFWPOIKSNPA-UHFFFAOYSA-N 268.298 -0.831 50 20 CBGD O=C(/C=C\[C@@H]1CCCNC1)NNC(=O)C(=O)N1CCCC1 1580494002 PHDRXNMCBLWBQZ-GZTOBOFZSA-N 294.355 -0.688 50 20 CBGD C=CCNC(=S)NNC(=O)C12CC(C(=O)O)(C1)C2 1588845319 FYVFCQRNVUDQJM-UHFFFAOYSA-N 269.326 -0.077 50 20 CBGD O=C(NC[C@@H](C(=O)O)C1CCC1)NNC(=O)c1cn[nH]c1 1594737609 UUZHLWYAHJRNQF-SECBINFHSA-N 295.299 -0.145 50 20 CBGD O=C(O)C[C@@H](CNC(=O)c1ccc(B(O)O)cc1)C1CC1 1601894185 KTGPPDQJPGOIFY-NSHDSACASA-N 291.112 -0.403 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@@H]1C[C@@H]1C(=O)O 1606871652 SJEMYXGYWCYQCS-SFYZADRCSA-N 289.357 -0.419 50 20 CBGD O=C(O)CCCCC(=O)NNC(=O)Cc1cc[nH]n1 1608710076 VCEJKKPCTLNFJQ-UHFFFAOYSA-N 268.273 -0.255 50 20 CBGD O=C(NNC(=O)c1ccc(C(=O)O)s1)C(=O)NC1CC1 1610700945 YMGYHWOKPJUVGO-UHFFFAOYSA-N 297.292 -0.514 50 20 CBGD C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1801595341 RTFKDRZNTBBSPH-VLEAKVRGSA-N 284.743 -0.143 50 20 CBGD C[C@@H](CN1CCOCC1)NC(=O)NNc1ncccn1 46481513 KRJGJAKZWMSNDE-JTQLQIEISA-N 280.332 -0.177 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCNC(=O)C1 111192845 PTICSWSDDPTXGU-SECBINFHSA-N 270.333 -1.000 50 20 CBGD N#Cc1cc(F)ccc1NC(=O)NNC(=O)CO 186430970 UQVYOJRYYCLXIM-UHFFFAOYSA-N 252.205 -0.158 50 20 CBGD CO[C@](C)(C(=O)NNC(=O)CO)c1ccccc1F 192378524 IKBULXHOKGVOMJ-LBPRGKRZSA-N 270.260 -0.173 50 20 CBGD O=C(/C=C/c1ccc[nH]1)NNC(=O)C(=O)N1CCCC1 275670457 FVSZCNIRTWPYJD-AATRIKPKSA-N 276.296 -0.202 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@](C)(O)Cc1ccccc1 277972488 NLHHMZHDTIMZKS-CQSZACIVSA-N 280.324 -0.102 50 20 CBGD COC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)NC(C)C)O1 290371084 AZVCSNPMWVUTCU-JGVFFNPUSA-N 273.289 -0.554 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CCN(C(=O)CO)CC1 490812615 LWHOMXZGLIWNNF-KTKRTIGZSA-N 267.285 -0.907 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCO2 495325891 CHXCATCANPPKLP-UHFFFAOYSA-N 281.224 -0.259 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccccc1C(=O)OC 495326810 QWJKFYIOIPZGOE-UHFFFAOYSA-N 295.251 -0.201 50 20 CBGD CC[C@H](C)N(C)CCNC(=O)c1ccc(B(O)O)cc1 584939786 KVOZHKBCTJNQRU-NSHDSACASA-N 278.161 -0.174 50 20 CBGD C[C@H](CO)CCCNC(=O)c1cccc(B(O)O)c1 584968606 ZIIZHTXPZQYSAH-JTQLQIEISA-N 265.118 -0.495 50 20 CBGD CC(C)[C@@](C)(CO)NC(=O)c1ccc(B(O)O)c(F)c1 584990270 AFYPDVVHXITZFJ-CYBMUJFWSA-N 283.108 -0.358 50 20 CBGD COC[C@H](C)[C@H](C)NC(=O)c1ccc(B(O)O)cc1 584992281 NPISMMOTYOHAIG-UWVGGRQHSA-N 265.118 -0.233 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@H](F)[C@H](F)C1 584996955 ARHMHSNNIZKWLV-AOOOYVTPSA-N 255.029 -0.502 50 20 CBGD Cc1n[nH]c(C)c1CCNC(=O)c1ccc(B(O)O)cc1 584997134 VWPABANYIXFAMB-UHFFFAOYSA-N 287.128 -0.321 50 20 CBGD OB(O)c1ccc(CNC[C@@H](O)CN2CCCC2)c(F)c1 585018038 FXSQSDUJBCVJCM-CYBMUJFWSA-N 296.151 -0.948 50 20 CBGD OB(O)c1ccc(CNCCOC[C@H]2CCCO2)cc1 585027605 CBLHHHICHYKGOY-CQSZACIVSA-N 279.145 -0.348 50 20 CBGD OB(O)c1ccc(CNCC[C@H](O)C(F)(F)F)o1 585040531 MLCOAENQQRTHKE-ZETCQYMHSA-N 267.012 -0.638 50 20 CBGD COCCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 728160938 DRQUJLPCLOWEQQ-VIFPVBQESA-N 264.347 -0.485 50 20 CBGD O=C(CCn1ccnn1)NNC(=O)NCc1ccco1 732062282 FSBFRDGKSHHZGB-UHFFFAOYSA-N 278.272 -0.208 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNc1ncnc2[nH]cnc12 743468260 AMUUWJSNIBWQNT-ZCFIWIBFSA-N 277.288 -0.289 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CSCCS1 751061720 YTJUAGULZNOWSA-ZETCQYMHSA-N 263.388 -0.456 50 20 CBGD Cc1ccc(C(=O)NNC(=O)NCCn2cncn2)o1 752380741 SESHEVQKJWCOAM-UHFFFAOYSA-N 278.272 -0.176 50 20 CBGD COc1ccc(NC(=O)NNC(=O)CO)cc1NC(C)=O 755621611 DOCYQPUROCCQKR-UHFFFAOYSA-N 296.283 -0.201 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](C)[S@@](=O)CC1 759870325 RBPSZOQFKPSAIR-QGRDJGHBSA-N 289.401 -0.225 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)CC1(O)CCC1 759877338 RQAIXZCKXAJWRK-UHFFFAOYSA-N 255.318 -0.609 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@H]1O 768771249 TYJZPEGSRFFDRC-RKDXNWHRSA-N 257.334 -0.508 50 20 CBGD O=C(CSc1n[nH]c(O)n1)NNC(=O)c1ccccn1 776312684 LJELFMBLZDOMQW-UHFFFAOYSA-N 294.296 -0.541 50 20 CBGD CN(NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)C(N)=O 778417330 SDCHKMNRNPGPGC-DTORHVGOSA-N 296.327 -0.407 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)Cc1noc(C)c1C#N 779515215 OYIQKIMMTRUMOC-UHFFFAOYSA-N 288.267 -0.110 50 20 CBGD Cn1ncc(NC(=O)NNC(=O)CO)c1C(F)(F)F 782104525 QNWKRVJCDAPJGV-UHFFFAOYSA-N 281.194 -0.416 50 20 CBGD C[C@H](O)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 786763238 XZNFHFLRWMSROZ-ZETCQYMHSA-N 286.309 -0.768 50 20 CBGD O=C(NNS(=O)(=O)c1ccoc1)N1CCOCC1 795304649 CVDBFMLHAVDKFD-UHFFFAOYSA-N 275.286 -0.485 50 20 CBGD C=CCNC(=S)NNC(=O)COC[C@H]1CCCO1 798305302 MYEAPUZWHZGERU-SECBINFHSA-N 273.358 -0.137 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=O)N=c1cc[nH]cc1 802035121 AJQSMPPMCLOVHV-SSDOTTSWSA-N 265.273 -0.819 50 20 CBGD Cn1nncc1NNC(=O)CNC(=O)OC(C)(C)C 816771800 AVRHUHNHYQDSSB-UHFFFAOYSA-N 270.293 -0.217 50 20 CBGD O=C(O)CCNC(=O)NNC(=O)CC(F)(F)F 819492493 KSAJLKJVVVOSAI-UHFFFAOYSA-N 257.168 -0.256 50 20 CBGD C#C[C@@H](C)NC(=O)NNC(=O)Cn1nc(C)cc1C 820440149 GVLGGKYALFIVHL-MRVPVSSYSA-N 263.301 -0.148 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CNC(=O)c1cccc(F)c1 823993127 LNPFYCLXEUNSAW-VIFPVBQESA-N 283.303 -0.101 50 20 CBGD CC[S@](=O)CCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 826025120 SRHPLGBKPHTOOE-LQJGKPAFSA-N 291.373 -0.490 50 20 CBGD COC(=O)C[C@H](N)C(=O)NNc1nc(C)cc(OC)n1 830980550 IQDMHIWQDHDOBL-ZETCQYMHSA-N 283.288 -0.873 50 20 CBGD CO[C@@H](CC(=O)NNC(=O)C(=O)NC1CC1)C(F)(F)F 845110226 YNOWCAQEWZJJDX-LURJTMIESA-N 297.233 -0.620 50 20 CBGD CN1CCN(C(=O)NNC(=O)CCC(C)(C)O)CC1 854378746 AKFCDVHPDODSAT-UHFFFAOYSA-N 272.349 -0.474 50 20 CBGD Cc1ccc(CCNC(=O)NNC(=O)[C@H]2CCC(=O)N2)o1 858138558 DNEKRNYLDZBOJD-SNVBAGLBSA-N 294.311 -0.260 50 20 CBGD O=C1CC[C@@H](C(=O)NN=C2CN3CCC2CC3)N1 863146632 XXANJRCZYGQQGX-VIFPVBQESA-N 250.302 -0.537 50 20 CBGD COCCCC(C)=NNC(=O)CS(C)(=O)=O 863187414 KPWUAUOCHXRDHR-UHFFFAOYSA-N 250.320 -0.050 50 20 CBGD CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)C1 863465557 GONISWIGECAXHB-RKDXNWHRSA-N 292.357 -0.616 50 20 CBGD CN1CCCC[C@H](C(=O)NNC(=O)NCC2CC2)C1=O 874194456 QHADCVPCBXWADS-SNVBAGLBSA-N 282.344 -0.015 50 20 CBGD CC[C@H](C(=O)NNC(=O)C1CCOCC1)N1CCCC1=O 883064261 VFOYUFDSQWDOJL-LLVKDONJSA-N 297.355 -0.039 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1CCN(C)C(=O)C1 887140806 SPZVVUGCYCREOK-JTQLQIEISA-N 265.313 -0.194 50 20 CBGD CCC[C@@H](NCc1cccc(B(O)O)c1)C(=O)OC 897834112 IJSGMKJPGTWBHR-GFCCVEGCSA-N 265.118 -0.202 50 20 CBGD CN1CCO[C@H](C(=O)NNc2ccccn2)C1=O 901340379 WZLNEVNJRCXQEO-SECBINFHSA-N 250.258 -0.618 50 20 CBGD C[C@H](O)CN(C)NC(=O)CNC(=O)NC1CCCCC1 910170451 LRKKQZGMKGVARM-JTQLQIEISA-N 286.376 -0.038 50 20 CBGD CN1CCO[C@H](C(=O)NNc2nc3ccccc3[nH]2)C1=O 913507821 SIWNUNSMHDIWRW-SNVBAGLBSA-N 289.295 -0.137 50 20 CBGD CO[C@@H](C(=O)NNC(=O)CN1CCCC1=O)C1CC1 913732864 LOTYZWSETVVLQU-LLVKDONJSA-N 269.301 -0.819 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 915775771 PIICDICMVMMUTF-UWVGGRQHSA-N 295.339 -0.035 50 20 CBGD CC(=O)NCCCNC(=O)NNC(=O)CC(F)(F)F 918069687 SXOLTESNUQZISU-UHFFFAOYSA-N 284.238 -0.205 50 20 CBGD CN(C)C(=O)CNC(=S)NNC(=O)c1cccn1C 918717513 ZGJOPAOHUNPEMT-UHFFFAOYSA-N 283.357 -0.778 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CSCN1C(=O)OCC 930731796 MUGPZUSCUKZMRU-SSDOTTSWSA-N 290.345 -0.132 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)n1cncn1 1116505516 IWDSIGZKJHKRTA-ZETCQYMHSA-N 263.261 -0.668 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cnnn1CC 1117713321 PBGNGBBIYFNVGC-UHFFFAOYSA-N 296.331 -0.636 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)Cc1cnn(C)c1 1118834812 DQTSKEACSWITRL-VIFPVBQESA-N 295.343 -0.729 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)[C@@H]1CCC(=O)N1 1118933882 KUYINWWXKQFWBB-GUBZILKMSA-N 283.328 -0.382 50 20 CBGD COc1ccc(C(=O)NNc2ncnc3[nH]cnc23)nn1 1252255561 INQPNDFTDBTMAV-UHFFFAOYSA-N 286.255 -0.092 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)N[C@H]1CCNC1 1261631852 HOAQZZSPHARQGQ-JTQLQIEISA-N 263.301 -0.684 50 20 CBGD O=C(CO[C@H]1CCOC1)NNC(=O)c1cccc(F)n1 1261775762 SHOSOYHVBABYDA-QMMMGPOBSA-N 283.259 -0.213 50 20 CBGD O=C(CCc1cscn1)NNC(=O)C(=O)NC1CC1 1318152909 AZDTWJLJBCVDCE-UHFFFAOYSA-N 282.325 -0.498 50 20 CBGD O=C(CCn1cncn1)NNc1ncc(F)cn1 1319644932 AUBDCGNWOSFSCD-UHFFFAOYSA-N 251.225 -0.259 50 20 CBGD C[C@]1(NNC(=O)NCCCC#N)CCS(=O)(=O)C1 1320956204 NWHCTIOSFFETKT-JTQLQIEISA-N 274.346 -0.329 50 20 CBGD CC(=O)NCCNC(=O)NNC(=O)c1ccc[nH]1 1323086061 VKUNRHPPHFJAHT-UHFFFAOYSA-N 253.262 -0.905 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)CS(C)(=O)=O 1323452024 VEJVHAZIJCCUAY-ZCFIWIBFSA-N 288.329 -0.840 50 20 CBGD CSCCNC(=S)NNC(=O)c1cnnn1C 1325128359 KUGQFQBGMAZBRD-UHFFFAOYSA-N 274.375 -0.713 50 20 CBGD CC(C)n1cnc(S(=O)(=O)NNC(=O)c2cn[nH]c2)c1 1329568258 DASRBIPRIJLOPP-UHFFFAOYSA-N 298.328 -0.190 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNc1ncnc2[nH]cnc12 1339605347 RTAZPKZBQFAQCB-RXMQYKEDSA-N 263.261 -0.679 50 20 CBGD CNC(=O)NNC(=O)Cc1nc(C2CC2)nn1C 1346081562 WNQGOCCWFASYHG-UHFFFAOYSA-N 252.278 -0.805 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)C[C@@H]1CC(=O)N1 1347764950 WXCAAYNHEIVNPQ-QMMMGPOBSA-N 287.316 -0.798 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1C[C@@H](F)CN1 1573796577 TURLSIMEUUZZCW-RKDXNWHRSA-N 291.323 -0.377 50 20 CBGD CC(C)CC(=O)NNC(=O)CCNC(=O)[C@H](N)C(C)C 1575521646 BQAOEMYGVHTXBU-GFCCVEGCSA-N 286.376 -0.331 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cccc(-c2nn[nH]n2)c1 1590001514 XUSHOCBITDWMDB-QMMMGPOBSA-N 276.300 -0.176 50 20 CBGD O=C(NNC(=O)[C@H](C(=O)O)C1CC1)c1cccnc1 1594779611 VAKCXTKWNKYVBC-SECBINFHSA-N 263.253 -0.047 50 20 CBGD O=C(NCCCOc1ccccc1)NNC(=O)C(=O)O 1601500317 PQYNZQICLGSMSH-UHFFFAOYSA-N 281.268 -0.130 50 20 CBGD O=C(O)[C@@H]1CC[C@H](C(=O)NNc2ncncc2F)O1 1602177144 PXWSPMNQMRAILO-RQJHMYQMSA-N 270.220 -0.309 50 20 CBGD CC(C)(O)[C@H](O)C(=O)NNc1cccc(-c2nn[nH]n2)c1 1603166112 KEMXKNCPAVOULB-SECBINFHSA-N 292.299 -0.558 50 20 CBGD O=C(NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21)NNC(=O)C(=O)O 1610691559 BVRYASLMVQFQPG-GMTAPVOTSA-N 289.291 -0.013 50 20 CBGD CNC(=O)NNC(=O)Cc1ccc2c(c1)OCO2 56375985 ZUHKLYCEOHGHBU-UHFFFAOYSA-N 251.242 -0.082 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H](C)Cn1ccnc1 66687403 YIOKRXTXEJMDKF-SECBINFHSA-N 269.305 -0.362 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(CO)CC1 109830626 UMNYYXCAOCYVBB-VIFPVBQESA-N 257.334 -0.363 50 20 CBGD CC(C)[C@@H](NS(=O)(=O)CBr)C(N)=O 220125408 JTMAZRGXUFVUHX-RXMQYKEDSA-N 273.152 -0.232 50 20 CBGD N#Cc1c[nH]c(C(=O)NNC(=O)N2CCOCC2)c1 267359508 WCTQQCWXELJLNA-UHFFFAOYSA-N 263.257 -0.427 50 20 CBGD CSCC[C@H](O)C(=O)NNC(=O)c1cccn1C 276556299 GVFBUMBGIOQXND-VIFPVBQESA-N 271.342 -0.100 50 20 CBGD CC(C)(C)NC(=O)CNC(=O)c1ccc(B(O)O)c(F)c1 584925823 PFMUJRFTKHZJJY-UHFFFAOYSA-N 296.107 -0.850 50 20 CBGD CCN1CCCC[C@@H]1CNC(=O)c1cccc(B(O)O)c1 584944183 BHQHXZGAERUCLW-CQSZACIVSA-N 290.172 -0.029 50 20 CBGD CCN(CCCO)C(=O)c1cc(B(O)O)ccc1F 584967517 WCTMQWGPSIDUHW-UHFFFAOYSA-N 269.081 -0.650 50 20 CBGD C[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C[C@@H]1CO 585010623 NXSODKSKNJIPLS-CMPLNLGQSA-N 277.129 -0.543 50 20 CBGD CC(C)(C)N1C[C@@H](NCc2ccc(B(O)O)cc2)CC1=O 585025808 DESDDOPZSIBISP-ZDUSSCGKSA-N 290.172 -0.145 50 20 CBGD C[C@H]1[C@H](NCc2ccccc2B(O)O)CCCN1C 585033968 DFYASEZGRWUCIB-SMDDNHRTSA-N 262.162 -0.061 50 20 CBGD OC[C@H](CNCc1cccc(B(O)O)c1)CC1CC1 585047723 UBTYUYQIVHHJQO-ZDUSSCGKSA-N 263.146 -0.135 50 20 CBGD Cc1cncc(CCNCc2ccc(B(O)O)cc2F)n1 585050330 WXUJKWTXAKEHGW-UHFFFAOYSA-N 289.119 -0.064 50 20 CBGD O=C(NCB(O)O)c1ccc(NC(=O)C2CC2)cc1 585058230 VWYURBFYXWKFHP-UHFFFAOYSA-N 262.074 -0.223 50 20 CBGD CCc1nnc2ccc(N3CC[C@@H](B(O)O)C3)nn12 585073719 OGMZGASPRMTQQK-MRVPVSSYSA-N 261.094 -0.260 50 20 CBGD CC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 725901832 XQLNYFUSTIFFFI-VIFPVBQESA-N 299.352 -0.171 50 20 CBGD O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1cnn[nH]1 743814523 NVRBKPUFOOSIQW-UHFFFAOYSA-N 292.211 -0.507 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCn2cnnc2C1 746666708 TUEZLCBEEFBSJN-SNVBAGLBSA-N 294.359 -0.324 50 20 CBGD CCOCC(=O)NNC(=O)NCCC[C@H](C)CO 759633663 ILHUQMIKSVELHE-VIFPVBQESA-N 261.322 -0.238 50 20 CBGD CC[C@@H](C)C(=O)NNS(=O)(=O)N1CCOCC1 765053479 LARUFJXQZGNMIN-MRVPVSSYSA-N 265.335 -0.770 50 20 CBGD CSCCNC(=S)NNC(=O)C(C)(C)C(N)=O 768166754 XLPVMNWPUOPBGS-UHFFFAOYSA-N 278.403 -0.644 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cnc2[nH]cnc2c1 768243164 ANUYYQGDAYCGRE-UHFFFAOYSA-N 263.257 -0.510 50 20 CBGD CC(C)N(C)CC(=O)NNc1nc(O)c2cnn(C)c2n1 770973835 IHBOZDLOXBDFIE-UHFFFAOYSA-N 293.331 -0.148 50 20 CBGD CCC[C@](C)(O)C(=O)NNC(=O)C(=O)NC(CC)CC 770995905 JHVJMDYIUVZDIU-ZDUSSCGKSA-N 287.360 -0.010 50 20 CBGD C[C@H]1CC[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1 780795115 WRYIMSMGJPGJNA-CBAPKCEASA-N 268.317 -0.216 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@](C)(C(N)=O)C1 796579078 CBHDCJDEYCDWJD-QPUJVOFHSA-N 270.333 -0.870 50 20 CBGD Cc1nc2nc(N)nn2c(C)c1CC(=O)NN(C)C1CC1 822434450 UUPBDKNLHXNRJE-UHFFFAOYSA-N 289.343 -0.009 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@H]1CCC(=O)N(C)C1=O 823899277 QJRSJVHMHNWIGJ-ZETCQYMHSA-N 270.289 -0.880 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCC(C)(C)C(=O)O)cn1 833041029 AMUCLHIIWKCCAL-UHFFFAOYSA-N 283.288 -0.525 50 20 CBGD CCCN1C[C@@H](C(=O)NNC(=O)c2ncccn2)CC1=O 841352405 JUWXNOATHMZKDG-VIFPVBQESA-N 291.311 -0.504 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(C)(C)N1CCOCC1 843970794 LGRRBEQWRPVCKU-QWRGUYRKSA-N 299.371 -0.330 50 20 CBGD C=C[C@@](C)(O)C(=O)NNC(=O)NCC(F)(F)F 847114968 FEOPHGKFTIWSHM-SSDOTTSWSA-N 255.196 -0.184 50 20 CBGD COc1ccc(NNC(=O)[C@@]2(O)CCOC2)nc1 857490881 SUOJCQCRNZDCMS-LLVKDONJSA-N 253.258 -0.315 50 20 CBGD CCOCCn1cc(C(=O)NNC(=O)C(C)(C)O)cn1 857718317 LUNHTEHVPCUFOW-UHFFFAOYSA-N 284.316 -0.549 50 20 CBGD Cc1csc(C(=O)NNC(=O)NCc2nnn(C)n2)c1 858404695 LQESENWLINOAMA-UHFFFAOYSA-N 295.328 -0.276 50 20 CBGD CCC1=C(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCCO1 862458962 KTUCXWWBEKCUOF-SECBINFHSA-N 281.312 -0.113 50 20 CBGD C#CCN(C)CCCNC(=O)c1cccc(B(O)O)c1 863884050 WZCWGHICFYOKIO-UHFFFAOYSA-N 274.129 -0.949 50 20 CBGD C#CC[C@H](CCOC)NCc1cccc(B(O)O)c1 863892312 SEUWSSFFXKGLPU-CQSZACIVSA-N 261.130 -0.116 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H]1CCCNC1=O 865014829 OLPSCYMRKJYJNV-MRVPVSSYSA-N 256.306 -0.357 50 20 CBGD O=C(/C=C/CN1CCOCC1)NNC(=O)NCC1CC1 865015741 IVDMFAULDKSDMB-OWOJBTEDSA-N 282.344 -0.385 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc2nccn2c1 869068620 SJBJPVHJPZHELH-WCBMZHEXSA-N 289.295 -0.085 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H]2COC[C@H]2C1 872319234 BLCPTZPBWFKNDP-LPEHRKFASA-N 255.318 -0.490 50 20 CBGD CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)NCCCOC 900385024 PJMKSFUSNYXFAB-RKDXNWHRSA-N 261.322 -0.240 50 20 CBGD C[C@H](CC(=O)NNC(=O)CN1CCCC1=O)n1cccn1 913733516 LOPYQAFHWBMDSH-SNVBAGLBSA-N 293.327 -0.396 50 20 CBGD CCCNC(=O)NN=Cc1cn(C)c(=O)n(C)c1=O 920988396 KAWMNWGQCXPIQH-UHFFFAOYSA-N 267.289 -0.873 50 20 CBGD CC(CCCO)=NNC(=O)Cc1cc(O)nc(O)n1 1117741799 DZKAXRPHQBKPBB-UHFFFAOYSA-N 268.273 -0.305 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](C)[C@](C)(OC)C1CC1 1117946585 ZDNWHPBRGALGMF-KRTXAFLBSA-N 287.316 -0.307 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(S(C)(=O)=O)CC1 1118218081 HCVXBBYILWBVBH-JGVFFNPUSA-N 290.341 -0.864 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1ccn(C)n1 1118236720 IMCSRUDDAASUBZ-JGVFFNPUSA-N 288.329 -0.845 50 20 CBGD O=C(NNc1cccnn1)N[C@@H]1CCS(=O)(=O)C1 1251981754 BOXAEVLNVTZLIK-SSDOTTSWSA-N 271.302 -0.710 50 20 CBGD CCNC(=O)NNC(=O)C1CCN(C(=O)N(C)C)CC1 1317995148 NJOZFPIJGSPRPN-UHFFFAOYSA-N 285.348 -0.270 50 20 CBGD CS(=O)(=O)CC(=O)NNc1nc(-c2cccnc2)no1 1318396325 SGQCTSFUGQZFCR-UHFFFAOYSA-N 297.296 -0.381 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CCc2nnc(C)n2C1 1319507768 UYDBFPCJSNDRJI-MRVPVSSYSA-N 266.305 -0.501 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 1319825049 HTXVSZGLNMZMOT-OAHBRNHXSA-N 267.285 -0.466 50 20 CBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cnn(C)c2)CCO1 1319961670 CITHJGHUWKFCQH-PSASIEDQSA-N 281.316 -0.068 50 20 CBGD CC(C)NC(=O)NNC(=O)c1cccn2c(O)nnc12 1320061335 QPENJVRADBFBAM-UHFFFAOYSA-N 278.272 -0.213 50 20 CBGD CC(C)NC(=S)NNC(=O)C1(NC(N)=O)CC1 1320434117 BSHPZFJYKKMVRQ-UHFFFAOYSA-N 259.335 -0.909 50 20 CBGD COCCCNC(=O)NNC(=O)c1[nH]nnc1C 1321130231 JYPGZDIVBKMURZ-UHFFFAOYSA-N 256.266 -0.906 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc[n+]([O-])c1 1326428542 ZJSDSZPGUFAWDH-WPRPVWTQSA-N 265.269 -0.494 50 20 CBGD CCCNC(=O)NNC(=O)CCS(C)(=O)=O 1327812136 AGZHIWSMPUEZFS-UHFFFAOYSA-N 251.308 -0.839 50 20 CBGD COC/C(C)=C\C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1349499763 ZYFOQXBRBXDYIN-BZJXQOFCSA-N 290.341 -0.839 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CCc1ccccn1 49463768 OJJCCKCEZDIRIG-UHFFFAOYSA-N 278.312 -0.314 50 20 CBGD CCc1cc(NC(=O)NNC(=O)CN(C)C)n(C)n1 156051853 FGVQFPHNXDKJTN-UHFFFAOYSA-N 268.321 -0.303 50 20 CBGD CN(CC(=O)NNC(=O)c1cnn(C)c1)[C@H]1CCSC1 161252348 SZJGLXBVSSDNMN-JTQLQIEISA-N 297.384 -0.382 50 20 CBGD Cc1cc(NC(=O)NNC(=O)CN(C)C)ccc1C(N)=O 274766848 GKFBUQFYSPUFCW-UHFFFAOYSA-N 293.327 -0.192 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)O)cc1 276199104 FPWLVQVDJNHXQO-UHFFFAOYSA-N 279.296 -0.148 50 20 CBGD COC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)Cc1ccncc1 286149858 OTOXYDFHLNICND-GHMZBOCLSA-N 291.307 -0.029 50 20 CBGD C[C@@H]1[C@H](NS(=O)(=O)CCl)CCS1(=O)=O 306593831 RVNNQZOVXMRIDC-PHDIDXHHSA-N 261.752 -0.322 50 20 CBGD COC(=O)NCCNS(=O)(=O)CCCCl 308160629 UXLVVMNVRRDILI-UHFFFAOYSA-N 258.727 -0.109 50 20 CBGD C#CCNC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 490555951 NXEQRWKAVVDILC-UHFFFAOYSA-N 292.251 -0.063 50 20 CBGD CC(C)[C@H](O)CNC(=O)c1ccc(B(O)O)cc1 584961051 WWYVMAJYRDRPAO-LLVKDONJSA-N 251.091 -0.887 50 20 CBGD C[C@@H](C[S@@](C)=O)NC(=O)c1ccc(B(O)O)c(F)c1 584973650 OZEHLEIFZFCHOR-ZDVLTJLQSA-N 287.121 -0.998 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H]2OCC[C@@H]2C1 585003461 LJLDLHJMYGZMQU-YPMHNXCESA-N 275.113 -0.383 50 20 CBGD O=C(c1cnnn1-c1ccccc1)N1CC[C@@H](B(O)O)C1 585065411 CXPMHPKIFBUHGB-SNVBAGLBSA-N 286.100 -0.044 50 20 CBGD Cc1cc(NNC(=O)[C@H](C)CS(C)(=O)=O)ncn1 746887244 UWEVIHYOOGEWBN-SSDOTTSWSA-N 272.330 -0.091 50 20 CBGD CC[C@@H](C)OCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 751563222 QLSVJAOGTMXWOZ-BDAKNGLRSA-N 292.357 -0.616 50 20 CBGD O=C(CO)NNC(=O)c1cnc(-c2ncccn2)s1 753438112 LKQPIZOWFUWGQX-UHFFFAOYSA-N 279.281 -0.647 50 20 CBGD COCC(=O)NNC(=O)Nc1cccn(C)c1=O 756686141 RIKLZENIXXGCIV-UHFFFAOYSA-N 254.246 -0.816 50 20 CBGD CC(=O)NCCNC(=O)NNc1ncncc1Cl 787723591 VPHFJQWYJNLVKD-UHFFFAOYSA-N 272.696 -0.108 50 20 CBGD C[C@@H]1OCC[C@@]12CN(CC(=O)NNC(=O)C1CC1)CCO2 791588068 AHYDDJWIPJRBSD-IINYFYTJSA-N 297.355 -0.576 50 20 CBGD CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)C1 814379677 VGVPRVKJBUJUKS-NXEZZACHSA-N 285.344 -0.136 50 20 CBGD CCOC(=O)[C@H](CC(=O)NNC(=O)c1ccc[nH]1)C(C)=O 816824408 YNCJSHABODLALP-SECBINFHSA-N 295.295 -0.066 50 20 CBGD COC(OC)C(=O)NNC(=S)NCC1CCC1 824328535 UOSMRETYQBOEDA-UHFFFAOYSA-N 261.347 -0.099 50 20 CBGD CC(C)NC(=O)CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 825566709 NZIZCWGBVVFHLE-BDAKNGLRSA-N 286.332 -0.734 50 20 CBGD O=C(CO)NNC(=O)C[C@H]1COc2ccccc2O1 827893382 CFVPTNNRZQJSNT-QMMMGPOBSA-N 266.253 -0.644 50 20 CBGD CCCN1C[C@H](C(=O)NNC(=O)NCC)CC1=O 840288757 MZCVRTRGRHEHCF-MRVPVSSYSA-N 256.306 -0.405 50 20 CBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@@H](O)C1CC1 854180562 MZFQYFNZGIPODR-NEPJUHHUSA-N 292.291 -0.255 50 20 CBGD CNC(=S)N(C)NC(=O)C1(S(C)(=O)=O)CCC1 854919759 DXTHUNDQBUXNCF-UHFFFAOYSA-N 279.387 -0.579 50 20 CBGD CN(NC(=O)C(=O)c1ccc[nH]1)C(=O)N1CCNCC1 857765606 HVVXBIPRVQDJHE-UHFFFAOYSA-N 279.300 -0.814 50 20 CBGD Cc1ccc(C(=O)C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 862450846 CHEPQOBMDKRLSE-SNVBAGLBSA-N 289.291 -0.396 50 20 CBGD Cc1ccc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)o1 862457085 ARQZLEWBGIRBBK-SECBINFHSA-N 265.269 -0.443 50 20 CBGD CN1CCCC(=NNC(=O)CS(C)(=O)=O)CC1 863188022 XASIWVSICTVRLK-UHFFFAOYSA-N 261.347 -0.381 50 20 CBGD COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)CCl 867886787 MFSKGYLZCYZEJZ-PHDIDXHHSA-N 257.695 -0.879 50 20 CBGD CC[C@H](O)[C@H](C)C(=O)NNC(=O)N1CCOCC1 900426743 KPJSREJFNOBPND-IUCAKERBSA-N 259.306 -0.534 50 20 CBGD O=C(CNc1ccccn1)NNC(=O)N1CCOCC1 900427124 UFUYVCACBSBTDS-UHFFFAOYSA-N 279.300 -0.434 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 910183921 UTPRFMIAXHWMQT-MXWKQRLJSA-N 297.355 -0.495 50 20 CBGD O=Cc1ccc(C(=O)NNC(=O)CN2CCCC2=O)s1 913729962 GBAJHTMTIVAFCO-UHFFFAOYSA-N 295.320 -0.056 50 20 CBGD CCC[C@H](O)C(=O)NNC(=O)Cc1cccnc1 931968471 QVSBPKRFBCTBHA-JTQLQIEISA-N 251.286 -0.068 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)n1cccc1 1118971155 UUWATJGTAAQGPW-BDAKNGLRSA-N 264.285 -0.525 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@@H](O)c1cccnc1 1257428533 WKEROIUXGTUFDH-ZDUSSCGKSA-N 286.291 -0.100 50 20 CBGD CCOCCONC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1326295137 GVRXSZRHMZIKMX-DTWKUNHWSA-N 275.305 -0.290 50 20 CBGD C[C@H](CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1)C(=O)O 1327680812 SPUWJLRUGZLCBO-GMSGAONNSA-N 293.345 -0.912 50 20 CBGD CN1CCC[C@@H](CNC(=O)NNC(=O)c2cn[nH]c2)C1 1328788343 CPPGTTXVDDCORD-VIFPVBQESA-N 280.332 -0.305 50 20 CBGD Cc1nn(C)c(C)c1CC(=O)N1CC[C@@H](B(O)O)C1 1331895601 MSICIEUKNLRCTL-SNVBAGLBSA-N 265.122 -0.345 50 20 CBGD CSSCCNC(=O)CN1C(=O)CNC1=O 1341049346 PRXSJLDZIJGOGI-UHFFFAOYSA-N 263.344 -0.334 50 20 CBGD NC(=O)CCCC(=O)NNC(=O)Cc1ccncc1 1344002082 IWCXIVLMAIPGDE-UHFFFAOYSA-N 264.285 -0.573 50 20 CBGD COCCCn1nccc1C=NNC(=O)[C@H]1CCC(=O)N1 1348411285 JWKYTSDOIRDJRY-LLVKDONJSA-N 293.327 -0.352 50 20 CBGD CS(=O)(=O)CCCC(=O)NNc1ccncn1 1351244952 MHWLOKOLPPRRBE-UHFFFAOYSA-N 258.303 -0.256 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2C[C@H]3CC[C@@H]2N3)cn1 1579953103 IMSHEZMFEKXCBT-UTLUCORTSA-N 263.301 -0.678 50 20 CBGD CC(=O)NNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1588870015 QNNXTSXEDNLCNC-LLVKDONJSA-N 299.294 -0.284 50 20 CBGD COc1nccnc1NNC(=O)[C@@](C)(C#N)CC(=O)O 1594159041 AWCJHXNWUYVHNQ-LLVKDONJSA-N 279.256 -0.067 50 20 CBGD Cc1cc(NNC(=O)C2(C(=O)O)CCOCC2)nc(N)n1 1594325126 BDPJWQZFQFRDRC-UHFFFAOYSA-N 295.299 -0.308 50 20 CBGD O=C(O)c1cncc(NC(=O)c2ccc(B(O)O)cc2)c1 1595271355 GWNCTNQADBOZPC-UHFFFAOYSA-N 286.052 -0.288 50 20 CBGD COc1ccnc(NNC(=O)NC[C@H]2C[C@H]2C(=O)O)n1 1599722486 KRGVVAKLXKLHAP-RNFRBKRXSA-N 281.272 -0.168 50 20 CBGD C[C@](O)(CNS(=O)(=O)CCCCCl)C(=O)O 1603262976 FNGYPPNRRMIIHY-QMMMGPOBSA-N 273.738 -0.240 50 20 CBGD CC[C@H](C(=O)O)C(=O)NNC(=O)c1ccncc1 1604878569 QKIYKOROOBIAEG-QMMMGPOBSA-N 251.242 -0.047 50 20 CBGD O=C(O)Cc1ccc(NNC(=O)CCc2nn[nH]n2)cc1 1608781290 WNGLSCBXBWCFJI-UHFFFAOYSA-N 290.283 -0.097 50 20 CBGD COc1cc(C=NNC(=O)C(=O)O)cc(OC)c1O 1610293276 DFZXSZZJOQBZQH-UHFFFAOYSA-N 268.225 -0.056 50 20 CBGD O=C(NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)NNC(=O)C(=O)O 1610691561 BVRYASLMVQFQPG-MXWKQRLJSA-N 289.291 -0.013 50 20 CBGD NC(=O)C(=O)NN=Cc1cc(Cl)ncc1C(=O)O 1776015960 QAOAGQKVOLMCQC-UHFFFAOYSA-N 270.632 -0.631 50 20 CBGD NC(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCCO2)c1 42968786 WFWWXTRBUQCMOH-JTQLQIEISA-N 277.280 -0.275 50 20 CBGD COc1cccc(NC(=O)C(=O)NNC(C)=O)c1 106547564 GQYAZOPDYOWQTR-UHFFFAOYSA-N 251.242 -0.199 50 20 CBGD NC(=O)[C@@H]1CCCN1S(=O)(=O)CBr 126706492 NAAQPBJNRMMKQO-YFKPBYRVSA-N 271.136 -0.382 50 20 CBGD Cc1ccc(F)c(NNC(=O)C(=O)NCC(=O)N(C)C)c1 190460115 NIPVHFWSUWVBCV-UHFFFAOYSA-N 296.302 -0.218 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cccc2c1OCCO2 276239253 KSOYDBWOGGEPED-UHFFFAOYSA-N 280.280 -0.010 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ccnc(F)c2)CC1 278660201 PJIOIRBFFDGAPX-UHFFFAOYSA-N 281.291 -0.178 50 20 CBGD C[C@H](NC(=O)C1CCCC1)C(=O)NNC(=O)N(C)C 299368995 KNLDQHDMWCVSHO-QMMMGPOBSA-N 270.333 -0.016 50 20 CBGD O=C(CCn1ccnc1)NNC(=O)N1CCOCC1 299665076 NXBOVCUCTFCFOQ-UHFFFAOYSA-N 267.289 -0.654 50 20 CBGD O=S(=O)(CBr)N[C@@H]1COC[C@H]1O 306338150 IZAKTERJVVJVRB-RFZPGFLSSA-N 260.109 -0.982 50 20 CBGD CCO/C=C\C(=O)NNC(=O)C(=O)NC(CC)CC 493108765 SWNSSOZIFQFEPS-FPLPWBNLSA-N 271.317 -0.011 50 20 CBGD Cn1ccnc1[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584967035 PMUCINUAWKUNIY-GFCCVEGCSA-N 299.139 -0.270 50 20 CBGD CCO[C@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584981399 FSKOLUALYRXYEL-QWRGUYRKSA-N 267.065 -0.587 50 20 CBGD C=C[C@@H]1OCCC[C@H]1NC(=O)c1cccc(B(O)O)c1 584996895 AIIQKHUDXUCOPA-OLZOCXBDSA-N 275.113 -0.170 50 20 CBGD CCCN(C(=O)c1cccc(B(O)O)c1)[C@@H]1CCN(C)C1 585003021 FUOAHPSELIGDDI-CQSZACIVSA-N 290.172 -0.077 50 20 CBGD CC(C)(C)N1C[C@@H](NCc2ccc(B(O)O)o2)CC1=O 585027315 ZOJRDQRPKWWVKA-VIFPVBQESA-N 280.133 -0.552 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)cc1F)c1ncnn1C 585038291 ZAWKHOFGWQEXCU-MRVPVSSYSA-N 278.096 -0.515 50 20 CBGD OC[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NCc1cccc(B(O)O)c1 585039792 BPGQJFXCWMCDNA-VIRABCJISA-N 275.157 -0.137 50 20 CBGD CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCB(O)O 585059672 WNYIGGXVZPWZPS-ZETCQYMHSA-N 274.151 -0.938 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CCCN1C(N)=O 726538143 CTIAEJGZYJADBE-VIFPVBQESA-N 279.300 -0.671 50 20 CBGD O=C(NCCN1C(=O)CCC1=O)NNc1ncccn1 733847684 FKZJBNPUOQZKLK-UHFFFAOYSA-N 278.272 -0.748 50 20 CBGD O=C(CNC1(C(=O)O)CCCC1)NNC(=O)C1CC1 740376048 MUKCDDLAAJNIHI-UHFFFAOYSA-N 269.301 -0.469 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)Cn2cnc(C#N)n2)cc1 742451221 NXAHYIHZXUTVKD-UHFFFAOYSA-N 295.262 -0.517 50 20 CBGD COCC(=O)NNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 756737851 CKABGSDAWPKNBU-JTQLQIEISA-N 297.315 -0.139 50 20 CBGD Nc1ncccc1C=NNC(=O)CN1CCCC1=O 764666541 MGXJERWDPILWJY-UHFFFAOYSA-N 261.285 -0.264 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](O)C1CC1 772099362 VPVSAEMWXFLQTQ-RCOVLWMOSA-N 258.274 -0.754 50 20 CBGD C[C@@H](CC(N)=O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 773694350 WEVZIKONEVOOTD-ZETCQYMHSA-N 294.267 -0.133 50 20 CBGD Cc1nn(CC(=O)OC(C)C)c(C)c1C=NNC(=O)CO 776775799 LECTXKRTHPLHSI-UHFFFAOYSA-N 296.327 -0.106 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)C2CC2)on1 777789765 IEDYKWBPNZCTSX-UHFFFAOYSA-N 253.214 -0.368 50 20 CBGD C[C@@H](C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)N(C)C 792856490 ZFJJVENUQCPTRZ-VHSXEESVSA-N 277.390 -0.571 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1cccc(F)n1 804772218 BMJYMMNLFYREJL-LURJTMIESA-N 276.293 -0.399 50 20 CBGD CC[C@@](C)(OC)C(=O)NNC(=O)N1CCN(C)CC1 807380528 XBRFWBDXYQVVDB-GFCCVEGCSA-N 272.349 -0.210 50 20 CBGD Cn1cccc1C(=O)NNC(=O)Nc1cnnn1C 809906335 JWRHVXVSUMTIBS-UHFFFAOYSA-N 263.261 -0.380 50 20 CBGD NC(=O)N1CCC(=NNC(=O)Cc2cc[nH]n2)CC1 814954636 LXZCRCSJYZGWNG-UHFFFAOYSA-N 264.289 -0.401 50 20 CBGD COC(=O)N(C)CCNC(=O)NNc1nccc(OC)n1 822798375 VNVLMGZYDRUBRH-UHFFFAOYSA-N 298.303 -0.191 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCc2cncn2C1 823922987 NZWIODBOXXSOMK-NXEZZACHSA-N 252.318 -0.211 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCc2c[nH]nc2C1 823950615 DYUQZVKAECKWJS-IUCAKERBSA-N 252.318 -0.142 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CNC(=O)COc1ccccc1 823993112 LDQVIRRBMJLHEN-NSHDSACASA-N 295.339 -0.475 50 20 CBGD CCN1C[C@H](NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1=O 826918451 VSFIAJVDNOPWGK-AEJSXWLSSA-N 298.343 -0.637 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cc(C(=O)O)c(C)o1 831000557 HJVCEDVUUPVKRS-UHFFFAOYSA-N 277.258 -0.591 50 20 CBGD Cc1cn(C)nc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843662443 SQTROMLKHDMJAY-DTWKUNHWSA-N 266.301 -0.085 50 20 CBGD Cn1cnn(CCC(=O)NNC(=O)CC2CCCC2)c1=O 848369845 TUKCVYJEPJNZEJ-UHFFFAOYSA-N 295.343 -0.300 50 20 CBGD Cc1nc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)[nH]c1C 853303508 UXAQAHVEMUFWCU-QMMMGPOBSA-N 287.345 -0.586 50 20 CBGD C=C[C@@](C)(O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 854179663 GJSGEUIQPPQALL-SMDDNHRTSA-N 292.291 -0.089 50 20 CBGD CN1CCN(C(=O)NNC(=O)Cc2ncccc2F)CC1 854379064 NBMDLCXNSZCRMK-UHFFFAOYSA-N 295.318 -0.249 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCCN1C=O 855007774 YQHSWELQLFNOBF-AEJSXWLSSA-N 269.301 -0.820 50 20 CBGD COCC1(C(=O)NNC(=O)c2cc[nH]n2)CCC1 855355653 CRBKKWAPTFZBEY-UHFFFAOYSA-N 252.274 -0.013 50 20 CBGD CCOC(=O)NNC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 858112418 LYSYYLJNCBADGF-QMMMGPOBSA-N 295.299 -0.450 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H]2CCCSC2)N1 858696565 LTQBMCNQJKNPDT-SFYZADRCSA-N 286.357 -0.509 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cccc(F)n1)[C@@H]1CCC(=O)N1 862236048 HPJRTNYMKKLSMD-SFYZADRCSA-N 294.286 -0.104 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc3occc3[nH]2)N1 862457735 PFTDKPYUTAQAML-SSDOTTSWSA-N 276.252 -0.200 50 20 CBGD CO[C@@H]1CCC[C@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 862459860 AZTUVKLAAAXFSW-IVZWLZJFSA-N 283.328 -0.382 50 20 CBGD O=C(/C=C/[C@@H]1CCOC1)NNC(=O)c1cn[nH]c1 862470094 ZQOYSMJFMZMIPJ-FHKCNRDCSA-N 250.258 -0.237 50 20 CBGD Cc1cc(=NNC(=O)[C@H]2CCc3nnnn3CC2)cc[nH]1 862515200 MEQYMTYXARPONM-JTQLQIEISA-N 287.327 -0.106 50 20 CBGD Cc1cccc(NNC(=O)[C@@H]2OCCN(C)C2=O)n1 912980893 CIDZOYFIOJNGHX-JTQLQIEISA-N 264.285 -0.310 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)N[C@@H]2C(=O)NCC2(C)C)cn1 914434783 RIIOIUQCVTVJFZ-NEOSZVFXSA-N 287.323 -0.032 50 20 CBGD O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1cnn[nH]1 918324073 WPPMPAZZSXZUPB-UHFFFAOYSA-N 276.212 -0.212 50 20 CBGD CC(C)N1CCC[C@@H]1C(=O)NNC(=O)C(=O)N1CCCC1 931248287 SMOZSYQOYCLPRG-LLVKDONJSA-N 296.371 -0.371 50 20 CBGD CN(C)c1nccc(NNC(=O)CCc2nc[nH]n2)n1 1116242571 UCZQVPLOKIFTBC-UHFFFAOYSA-N 276.304 -0.263 50 20 CBGD CCn1cc(CC(=O)NNc2nccn(C)c2=O)cn1 1116711460 PFEYZAVJYPHWHH-UHFFFAOYSA-N 276.300 -0.318 50 20 CBGD CNc1ccccc1C(=O)NNC(=O)C(=O)NC1CC1 1117723524 GEXSTPNHTNJMJN-UHFFFAOYSA-N 276.296 -0.232 50 20 CBGD O=C(NNC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1)c1cn[nH]c1 1118865304 ZYTPHOJFIZHTKN-GWOFURMSSA-N 289.295 -0.351 50 20 CBGD O=C1C[C@H](C(=O)NNC(=S)Nc2ccccn2)CCN1 1261916202 LSDZOIDTWADYCO-MRVPVSSYSA-N 293.352 -0.075 50 20 CBGD O=C(O)[C@@H](CC1CC1)NCc1cccc(B(O)O)c1 1262158103 YCFKCZDHHMXSLK-GFCCVEGCSA-N 263.102 -0.291 50 20 CBGD CN(NC(=O)[C@H]1CCc2nnc(O)n2C1)C1CC1 1262630229 UOOOMEQPFLQTEQ-ZETCQYMHSA-N 251.290 -0.329 50 20 CBGD CNC(=O)NNC(=O)c1ccc(CS(N)(=O)=O)cc1 1318618963 HUSBTACBKBBFNE-UHFFFAOYSA-N 286.313 -0.951 50 20 CBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)C2CCC2)nn1 1319264259 VRZIRFZPEBJCQG-SSDOTTSWSA-N 267.289 -0.721 50 20 CBGD CSc1ccccc1NC(=O)C(=O)NNC(=O)CCO 1320237351 KZDFPJGTFXABOV-UHFFFAOYSA-N 297.336 -0.123 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1cnn(CC)c1 1320358320 PZVHLZTVLIZHDQ-UHFFFAOYSA-N 283.288 -0.975 50 20 CBGD CCn1nc(C(=O)NNC(=S)NC(C)C)ccc1=O 1321708753 VERDCEFDAWZDET-UHFFFAOYSA-N 283.357 -0.220 50 20 CBGD C[C@@H](C(=O)NNc1ncnc2[nH]cnc12)S(C)(=O)=O 1322023006 QUSOCQYPSKJNAM-YFKPBYRVSA-N 284.301 -0.771 50 20 CBGD C[C@@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C(C)(F)F 1324254111 RCHODDCGLMLNLJ-BQBZGAKWSA-N 298.311 -0.140 50 20 CBGD Cn1c(Cl)nc(Cl)c1C=NNC(=O)C(N)=O 1330304920 NCMULGNJAUBCGN-UHFFFAOYSA-N 264.072 -0.338 50 20 CBGD O=C(NNC(=O)C1CCOCC1)NOCC(F)F 1330829613 AIABRHURWBYSSX-UHFFFAOYSA-N 267.232 -0.060 50 20 CBGD C[C@H](N)CCNC(=O)NNC(=O)C1CCNCC1 1331719470 JPAUUVYPTWJYSS-QMMMGPOBSA-N 257.338 -0.946 50 20 CBGD O=C(CCO)NNC(=O)C(=O)Nc1cccc2c1OCC2 1331762235 NYSNSXRAOWPUKJ-UHFFFAOYSA-N 293.279 -0.910 50 20 CBGD CNC(=O)c1cccc(C(=O)NN(C)C(=S)NC)n1 1334439048 FDMZZXJARJOGHT-UHFFFAOYSA-N 281.341 -0.478 50 20 CBGD COCCN(C)NC(=O)Nc1ccc(=O)n(C)n1 1349688241 NMXNRPLHLAXTKP-UHFFFAOYSA-N 255.278 -0.605 50 20 CBGD CC(C)(CCC#N)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1352361106 QZMKPDYTEKZLET-SECBINFHSA-N 295.343 -0.075 50 20 CBGD CC(C)[C@H](CNC(=O)NNC(=O)c1ncccn1)C(=O)O 1588825569 WYYFKVGPFRSNGB-QMMMGPOBSA-N 295.299 -0.223 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cccc(-c2nn[nH]n2)n1 1590742083 ABHWJIKAEXOFAP-UHFFFAOYSA-N 290.287 -0.432 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc(C(=O)O)co1 1598196318 DMCBHHJTTMOLQQ-UHFFFAOYSA-N 255.230 -0.700 50 20 CBGD Cc1c(NNC(=O)c2nnn(C)n2)cccc1C(=O)O 1600054880 IPYNHWNOJAERQV-UHFFFAOYSA-N 276.256 -0.026 50 20 CBGD CN1N=C(C(=O)NNc2ncccc2C(=O)O)CCC1=O 1604231489 VECYWCNNACIBLG-UHFFFAOYSA-N 291.267 -0.169 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(C(=O)O)on1 1609880072 VJWSQBNKMSAQLY-NTSWFWBYSA-N 283.240 -0.441 50 20 CBGD C[C@@H]1CN(C)C[C@H](C(=O)NN=Cc2ccc(C(=O)O)[nH]2)O1 1776092646 WWCPAMUOMICGRE-LDYMZIIASA-N 294.311 -0.118 50 20 CBGD CCS(=O)(=O)N1CCN(C(=O)CCl)CC1 20181253 ICEUMJHDGGDHOE-UHFFFAOYSA-N 254.739 -0.281 50 20 CBGD CCn1cc(C(=O)NNc2nnc(C)c(O)n2)cn1 28561497 ALWIJJWKPOKGRE-UHFFFAOYSA-N 263.261 -0.141 50 20 CBGD CC1=C(C(=O)NN(C)C(N)=O)[C@H](C)n2ncnc2N1C 192570011 FBGOAVDZYPTQOK-ZETCQYMHSA-N 279.304 -0.395 50 20 CBGD O=C(CNC(=O)OCC(F)(F)F)NNC(=O)NC1CC1 264724478 YFVKINDHMFRQKQ-UHFFFAOYSA-N 298.221 -0.232 50 20 CBGD C=CCNC(=S)NNC(=O)CSCC(C)=O 281211260 LOYNXBGBBMBEFX-UHFFFAOYSA-N 261.372 -0.010 50 20 CBGD C[C@H](CC(N)=O)C(=O)NNC(=O)COc1ccc(F)cc1 284501467 YGTKEOAILDDWJJ-MRVPVSSYSA-N 297.286 -0.137 50 20 CBGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCC1 285206192 BLGJEZHJGUWMDT-UHFFFAOYSA-N 282.325 -0.076 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1CCC[C@@H](O)C1 584912490 GHAYINSDBKCARK-JOYOIKCWSA-N 263.102 -0.144 50 20 CBGD COCCN(C(=O)c1ccc(B(O)O)cc1)[C@@H](C)COC 584945984 NNGHVYNNPCDILF-NSHDSACASA-N 295.144 -0.510 50 20 CBGD COCCO[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584976953 NYIMBVSXGQRTTP-CYBMUJFWSA-N 293.128 -0.756 50 20 CBGD C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@@H](C)N1C 584995149 QDSLBNGCFHZGRU-PHIMTYICSA-N 276.145 -0.469 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@@H]2C[C@H]2C1 585005182 AIZZAXVZXSIYQE-BDAKNGLRSA-N 263.077 -0.013 50 20 CBGD CN(C)c1ncccc1CNCc1ccc(B(O)O)o1 585016118 RYGDGJPIIRIEGD-UHFFFAOYSA-N 275.117 -0.290 50 20 CBGD CS[C@H](CO)[C@@H](C)NCc1ccc(B(O)O)o1 585028546 KWEIJPJGNNBNTK-VXNVDRBHSA-N 259.136 -0.839 50 20 CBGD Cc1c(CNCc2cccc(B(O)O)c2)cnn1C 585034782 NZZUWKCZFPHEBF-UHFFFAOYSA-N 259.118 -0.302 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)C[C@H](C)C(=O)O 736847715 NDHKDJIZHLGRFW-JGVFFNPUSA-N 259.306 -0.415 50 20 CBGD CCC[C@@](C)(NCC(=O)NNC(=O)C1CC1)C(=O)O 736962425 FRMGGMDCJVDBKY-GFCCVEGCSA-N 271.317 -0.223 50 20 CBGD O=C(NN=Cc1cc(C(=O)O)ccc1O)C(=O)NC1CC1 739453452 IJQFKWYSXMGSEQ-UHFFFAOYSA-N 291.263 -0.181 50 20 CBGD NC(=O)c1cccc(C(=O)NNC(=O)N2CCOCC2)c1 745987916 MBZNGYUCXXSFGE-UHFFFAOYSA-N 292.295 -0.528 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](CC(N)=O)C1 746675927 REYRZIFQFZXVJM-VHSXEESVSA-N 284.360 -0.480 50 20 CBGD CN(C)[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)CC1 759967607 RECHRCXURYFKFY-GFCCVEGCSA-N 282.388 -0.040 50 20 CBGD CN(C)C1(C(=O)NNC(=O)N2CCOCC2)CCC1 763031604 UTJBPCMTWFCBHO-UHFFFAOYSA-N 270.333 -0.456 50 20 CBGD COc1nccnc1NNC(=O)Cn1ccc([N+](=O)[O-])n1 764464261 MEBAARNKPNVVBY-UHFFFAOYSA-N 293.243 -0.267 50 20 CBGD CC[C@H](OC)C(=O)NNC(=O)N1CCN(C)CC1 773657547 HSKLUHRIMLBQFX-VIFPVBQESA-N 258.322 -0.600 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cnc(N)nc1 781584875 BBVBMNJUTXBVBC-JTQLQIEISA-N 292.343 -0.523 50 20 CBGD O=C(NNc1nc2ccccn2n1)c1ccc2nnnn2c1 791262054 QBCRGFXRRAUDSB-UHFFFAOYSA-N 295.266 -0.076 50 20 CBGD C[C@@H]1COCCC1=NNC(=O)[C@@H]1CCS(=O)(=O)C1 794487683 BBKDNDRBJINLJC-RKDXNWHRSA-N 274.342 -0.050 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 794849638 CBPNLRMKUFVLNQ-NNYUYHANSA-N 283.372 -0.262 50 20 CBGD Cc1nc2cc(F)c(F)cc2n1CC(=O)NNC(=O)CO 795239130 QCXBZGQBWHWZGX-UHFFFAOYSA-N 298.249 -0.237 50 20 CBGD CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1c[nH]nc1C 796249184 VEGFOKRGQXPJAH-LLVKDONJSA-N 293.327 -0.120 50 20 CBGD C=CCNC(=S)NNC(=O)Cc1cncn1C 798306657 PZUDETOGPNDCFH-UHFFFAOYSA-N 253.331 -0.356 50 20 CBGD COCCN(C)S(=O)(=O)NNC(=O)c1ccccc1 821119642 WABJXVBCIHHSBA-UHFFFAOYSA-N 287.341 -0.256 50 20 CBGD O=C(NNC(=O)[C@H]1CCNC1=O)c1ccc(Cl)nc1 822410930 GOPGDGRUCFJUPG-ZETCQYMHSA-N 282.687 -0.368 50 20 CBGD CN1C(=O)CC[C@@H](NC(=O)NNC(=O)CC(C)(C)C)C1=O 823905761 LEWFMNSFUXFBAA-MRVPVSSYSA-N 298.343 -0.100 50 20 CBGD CC[C@@H](C(=O)NN(C)[C@@H](C)CO)N1CCCC1=O 823951669 MGLYDRPZPIZOMU-UWVGGRQHSA-N 257.334 -0.269 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCOC[C@H]1C 827273278 GPLUHTOSMJZYBR-KXUCPTDWSA-N 271.317 -0.127 50 20 CBGD CN(C)CCn1ccc(NC(=O)NNC(=O)O)n1 830620149 PYUHZTZRVUYILG-UHFFFAOYSA-N 256.266 -0.251 50 20 CBGD COC(=O)c1ccccc1NNC(=O)[C@H]1CC(=O)N1 831706946 QJCRYDDPWNBJIF-SECBINFHSA-N 263.253 -0.195 50 20 CBGD O=C(NNC(=O)C1(n2cnnn2)CCCCC1)NC1CC1 845300253 VXKRFRSZEQDVIF-UHFFFAOYSA-N 293.331 -0.175 50 20 CBGD NS(=O)(=O)C1(C(=O)NNc2cc(Cl)ccn2)CC1 845922282 AJEFOEZMUDTMLI-UHFFFAOYSA-N 290.732 -0.001 50 20 CBGD COCCN(C)NC(=O)Cc1c(C)nc(C)nc1O 848377497 LWQAZDKQCORLII-UHFFFAOYSA-N 268.317 -0.049 50 20 CBGD CN[C@@H](C)C(=O)NNc1nc2ccccc2c(=O)n1C 848396758 PIJAWDNEHWHUKP-QMMMGPOBSA-N 275.312 -0.016 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2F)N1 860852036 MWPFISRPZFNYDI-MRVPVSSYSA-N 281.247 -0.926 50 20 CBGD C[C@@H](Oc1cccnc1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862453856 AESHHRTXRKKBLH-PSASIEDQSA-N 292.295 -0.725 50 20 CBGD CC(C)c1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)n(C)n1 862455534 GPIMGWKHDTZRQY-QMMMGPOBSA-N 293.327 -0.417 50 20 CBGD COc1c(C(=O)NNC(=O)c2cn[nH]c2)c(C)nn1C 862472374 YEQPGQUSIURXGI-UHFFFAOYSA-N 278.272 -0.465 50 20 CBGD COc1cc(C(C)=NNC(=O)[C@@H]2CCC(=O)N2)on1 863149850 HIHDURWVOAHVIP-ZETCQYMHSA-N 266.257 -0.198 50 20 CBGD COC(=O)C[C@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 863876363 WUAMCGGHZGLQAU-GFCCVEGCSA-N 291.112 -0.466 50 20 CBGD CCCn1cc(C=NNC(=O)C(=O)N2CCCC2)nn1 872347642 VFEAXRFITDBYIO-UHFFFAOYSA-N 278.316 -0.239 50 20 CBGD C#C[C@H](NC(=O)NNC(=O)C1CCOCC1)[C@H]1CCCO1 883581486 YDTHQFVEKJRTIU-NWDGAFQWSA-N 295.339 -0.076 50 20 CBGD C#CCCCC(=O)NNC(=O)c1cc(=O)n(C)cn1 887151583 CKJYYUZDRFLPCC-UHFFFAOYSA-N 262.269 -0.655 50 20 CBGD CC(C)C(=O)NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 913161131 FWLRIDDMHBOWDT-MRVPVSSYSA-N 253.302 -0.199 50 20 CBGD O=C(Cc1ccco1)NNC(=O)CN1CCCC1=O 913731554 MTCUKLKHAJSLIS-UHFFFAOYSA-N 265.269 -0.408 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)c1n[nH]c(O)n1 919822626 YXEGIJAUSIYGCE-UHFFFAOYSA-N 291.267 -0.477 50 20 CBGD C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)[C@@H]1CCCCO1 926021064 UTMNUTCVFINKNV-UTLUCORTSA-N 271.317 -0.079 50 20 CBGD CNC(=O)NNC(=O)c1cnc2scc(C)n2c1=O 1116481000 YAMFIIXOTZBLDI-UHFFFAOYSA-N 281.297 -0.362 50 20 CBGD CC[C@@](C)(C#N)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1117100737 NKUIPKMGDOCDNS-KWQFWETISA-N 287.341 -0.492 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccoc1CC(N)=O 1118280297 UHNZOMUVKYWBKT-SFYZADRCSA-N 295.295 -0.507 50 20 CBGD CN1CCC(CNC(=S)NNC(=O)c2cc[nH]n2)CC1 1261579151 ZMYJXGNVYBNAAL-UHFFFAOYSA-N 296.400 -0.140 50 20 CBGD CC[S@](=O)CCNC(=O)NN(C)C(=O)OC 1261964353 LHPWENXTPMPQBU-INIZCTEOSA-N 251.308 -0.333 50 20 CBGD COc1ccc(S(=O)(=O)NNC(C)=O)cc1C(N)=O 1317841683 NQDADGFFCMBUKB-UHFFFAOYSA-N 287.297 -0.877 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)Cc2ccncc2)nn1 1319246140 VALVAEFNPCDCCK-UHFFFAOYSA-N 288.267 -0.550 50 20 CBGD Cn1ccnc(NNC(=O)CCn2ccccc2=O)c1=O 1323508922 UQGXUNPQDAAGGV-UHFFFAOYSA-N 289.295 -0.525 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@H]1CCC(=O)NC1 1327166575 CWZLMUOAVHTLKE-IVZWLZJFSA-N 283.328 -0.525 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)c1ccc[nH]1 1327776318 BSBSJOSRFOVGJF-QMMMGPOBSA-N 274.284 -0.370 50 20 CBGD CNc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cn1 1327836214 JLAAYDJSBONXOD-UHFFFAOYSA-N 279.300 -0.591 50 20 CBGD C=CCNC(=S)NNC(=O)CCS(C)(=O)=O 1328616125 QVDQXGIUPXLKKS-UHFFFAOYSA-N 265.360 -0.898 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc3n(n2)CCCC3)N1 1329171393 COHLLJBBJOMLGW-SECBINFHSA-N 291.311 -0.741 50 20 CBGD O=C(NNc1nccc(N2CCOCC2)n1)c1ncc[nH]1 1331389861 ZMXUHXTTYFZRJU-UHFFFAOYSA-N 289.299 -0.207 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cc(CN(C)C)on1 1332364976 FBUMWEFMFLDLOT-QMMMGPOBSA-N 256.306 -0.306 50 20 CBGD O=C(CO[C@@H]1CCOC1)NNC(=O)C1CCOCC1 1333149447 PDXSUPVBEVSZKS-SNVBAGLBSA-N 272.301 -0.634 50 20 CBGD CO[C@]1(C(=O)NNc2nccn(C)c2=O)CCSC1 1338361658 IWVSQLVMYRWWGZ-LLVKDONJSA-N 284.341 -0.255 50 20 CBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNc1ccncn1 1348696080 NWPKBDDDIHJRNE-VHSXEESVSA-N 262.317 -0.692 50 20 CBGD CO[C@@H](C(=O)N1CC[C@@H](B(O)O)C1)c1cnn(C)c1 1351728239 CWCSCRMALYALLI-NXEZZACHSA-N 267.094 -0.817 50 20 CBGD CO[C@@H]1CN[C@](C)(C(=O)NNC(=O)NCC2CC2)C1 1573962149 XJQIHYZFZNVFDB-CABZTGNLSA-N 270.333 -0.506 50 20 CBGD C[C@@H](Cc1cnn(C)c1)C(=O)NNC(=O)C1CCNCC1 1576067728 ZFLQXJLZFZIQRF-JTQLQIEISA-N 293.371 -0.254 50 20 CBGD O=C(Cc1nc(C2CC2)n[nH]1)NNC(=O)C1CCNCC1 1580578066 NWVGYUFHWSFKRT-UHFFFAOYSA-N 292.343 -0.628 50 20 CBGD O=C(NNC(=O)C(F)(F)C1(O)CCCC1)[C@@H]1CCN1 1580733503 WQWXCHQXJOXTOC-ZETCQYMHSA-N 277.271 -0.564 50 20 CBGD C[C@@H]1CN(C(=O)NNC(=O)c2ncccn2)C[C@H]1C(=O)O 1599858443 JUGLOYVRMJYJEZ-HTQZYQBOSA-N 293.283 -0.517 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CO[C@H](CCC(=O)O)C1 1603269196 VODHVRVNAQSQJM-LPEHRKFASA-N 274.317 -0.400 50 20 CBGD O=C(CC[C@@H]1C[C@H](C(=O)O)CO1)NNC(=O)NC1CC1 1608314449 ZRVXHMNKIZYESW-IONNQARKSA-N 285.300 -0.251 50 20 CBGD CS(=O)(=O)c1cccc(C(=O)NNC(N)=O)c1 70197226 PVHWAIBSVXFUJM-UHFFFAOYSA-N 257.271 -0.597 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc2nccn2c1 172159804 QZKBDRQEMYEXKC-UHFFFAOYSA-N 261.285 -0.343 50 20 CBGD COc1c(C(=O)NNC(=O)N2CCOCC2)c(C)nn1C 264781378 PKIKPGWUYGTATP-UHFFFAOYSA-N 297.315 -0.576 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1cc(F)cc(OC)c1 269647161 YRHGHMXGSDPJDL-UHFFFAOYSA-N 291.304 -0.173 50 20 CBGD C=C(C)[C@@H](CC(=O)NNC(=O)C(=O)NC1CC1)OCC 270164270 ZSKQJPBNSWUSHP-SNVBAGLBSA-N 283.328 -0.216 50 20 CBGD CNC(=O)C1(C(=O)NNc2nccnc2OC)CC1 274114720 RLEBITDSUWJQBQ-UHFFFAOYSA-N 265.273 -0.546 50 20 CBGD C=CCNC(=S)NNC(=O)C(=O)N1CCC[C@H](C)C1 281309435 RZRYTKQXZKFDGN-VIFPVBQESA-N 284.385 -0.074 50 20 CBGD COCCN(C)NC(=O)C1=C(C)N(C)c2nnnn2C1 297158519 SHFUKVMATGKVLI-UHFFFAOYSA-N 281.320 -0.994 50 20 CBGD COc1ccc(NCC(=O)NNC(=O)CNC(C)=O)cc1 298272830 KCLGFJSZKIZZEP-UHFFFAOYSA-N 294.311 -0.609 50 20 CBGD CC(C)NC(=O)NNC(=O)CCn1cc([N+](=O)[O-])cn1 299294770 IGTSQDUEVKZXIE-UHFFFAOYSA-N 284.276 -0.080 50 20 CBGD NNC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 361764476 UYUPAQOIQHVKNO-NXEZZACHSA-N 283.328 -0.042 50 20 CBGD CC(C)N1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584928973 YAKJIUYRCZTTAT-UHFFFAOYSA-N 294.135 -0.328 50 20 CBGD O=C(NC[C@@H](O)C(F)(F)F)c1cccc(B(O)O)c1 584959355 BCGJBBSCJFUVPT-MRVPVSSYSA-N 277.007 -0.981 50 20 CBGD C[C@@H]1COCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584966634 GROPPIIDTIOGPV-VIFPVBQESA-N 281.092 -0.386 50 20 CBGD O=C(NC[C@H](CO)C1CCC1)c1cc(B(O)O)ccc1F 584988224 IKOAMUPQEBRWSM-SNVBAGLBSA-N 295.119 -0.356 50 20 CBGD CC[C@@H](C)[C@@](C)(O)CNCc1ccc(B(O)O)o1 585024105 QIEAPWZGWFXJRA-SKDRFNHKSA-N 255.123 -0.154 50 20 CBGD OB(O)c1cccc(CNCCCOC[C@H]2CCOC2)c1 585024861 FOGOHSRQXKZAMB-CQSZACIVSA-N 293.172 -0.101 50 20 CBGD O=C1C[C@H](NCc2cccc(B(O)O)c2)CN1C1CC1 585033926 KHJRUZBOWILLJJ-LBPRGKRZSA-N 274.129 -0.781 50 20 CBGD C[C@H]1OCC[C@]1(O)CNCc1ccc(B(O)O)cc1F 585038469 GDEDRNNGCNDKIN-RNCFNFMXSA-N 283.108 -0.865 50 20 CBGD C[S@@](=O)C1(CNCc2ccc(B(O)O)cc2)CCC1 585038833 ITYWURMZPKCRQI-LJQANCHMSA-N 281.186 -0.243 50 20 CBGD O=C1[C@@H](NCc2cccc(B(O)O)c2)CCN1C1CC1 585039878 ZHOOSLCTXFXWIF-ZDUSSCGKSA-N 274.129 -0.781 50 20 CBGD CCN1C[C@@H](NCc2ccc(B(O)O)cc2)CC1=O 585042724 CKMXNCGPAASDIW-LBPRGKRZSA-N 262.118 -0.923 50 20 CBGD CC(C)NC(=O)Nc1cccc(C(=O)NCB(O)O)c1 585061923 MRTRSAJGJDJELN-UHFFFAOYSA-N 279.105 -0.042 50 20 CBGD CC1(C)C[C@@]1(C(=O)O)C(=O)N1CC[C@H](B(O)O)C1 585068074 XPVDIJCQZMHNKB-CPCISQLKSA-N 255.079 -0.437 50 20 CBGD C[C@H](NC(=O)C1CCCC1)C(=O)N1CC[C@H](B(O)O)C1 585069949 UDTFSNRJQCFEBR-ONGXEEELSA-N 282.149 -0.243 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cocn1 729359222 QGVBPHDNTSZHRK-UHFFFAOYSA-N 278.224 -0.541 50 20 CBGD O=C(NNC(=O)c1cnn[nH]1)c1cc(-c2ccoc2)[nH]n1 729457624 LIFYTXYLNWIXFV-UHFFFAOYSA-N 287.239 -0.137 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(CNC(C)=O)CC1 732198096 HNOCCRRIZVCMEU-JTQLQIEISA-N 298.387 -0.220 50 20 CBGD O=C(CNc1ccccc1)NNC(=O)[C@@H]1C[C@@H]1C(=O)O 739308245 IBHOSXTUUZOCTH-ZJUUUORDSA-N 277.280 -0.033 50 20 CBGD CCNC(=O)NNC(=O)c1cn(CC(=O)C(C)(C)C)nn1 746166832 HWGGEGNONUPHCI-UHFFFAOYSA-N 296.331 -0.143 50 20 CBGD CCC1(C(=O)NNc2nnc(C)c(O)n2)COC1 755680647 DJNGNGPYSQJQNF-UHFFFAOYSA-N 253.262 -0.245 50 20 CBGD COc1ncc(C)cc1NC(=O)NNC(=O)CO 756848543 NRUSGPSVPOEBIA-UHFFFAOYSA-N 254.246 -0.456 50 20 CBGD COCCCC(=O)NNc1ccc(C(N)=O)nn1 757405159 ZOTMQDGEGBJDJM-UHFFFAOYSA-N 253.262 -0.555 50 20 CBGD N#Cc1ncn(CC(=O)NNC(=O)C2CCCC2)n1 769118614 XXGWQTPMPOBWKX-UHFFFAOYSA-N 262.273 -0.513 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN[C@@H](CCO)C1CC1 771800146 GNCZWBNNQLNWBC-JTQLQIEISA-N 271.361 -0.070 50 20 CBGD COc1cccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)n1 790155568 MJSBWABUULUFKI-VIFPVBQESA-N 297.336 -0.025 50 20 CBGD Cn1nncc1C(=O)NNC(=O)COCc1ccccc1 798445753 WZOHCKLVCMUBHI-UHFFFAOYSA-N 289.295 -0.207 50 20 CBGD COCCOCC(=O)NNC(=O)N=c1cc[nH]cc1 802036392 VPEBKTVFAJFBBQ-UHFFFAOYSA-N 268.273 -0.681 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1ncccc1F 804213901 TWFINADNJQKQTJ-UHFFFAOYSA-N 262.266 -0.787 50 20 CBGD CC(C)S(=O)(=O)CCNC(=O)NNc1cccnn1 808365791 GHWDEDHVSXKYIZ-UHFFFAOYSA-N 287.345 -0.074 50 20 CBGD CCn1nc(C(=O)NN(C)[C@@H](C)CO)ccc1=O 823959367 GZFKLQVRFWGEBF-QMMMGPOBSA-N 254.290 -0.779 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H]1CCCNC1=O 826962823 GWFIKXDUTNWJIS-IVZWLZJFSA-N 298.343 -0.732 50 20 CBGD COc1ccnc(C=NNC(=O)N2CCN(C)CC2)n1 842531436 LEOUTLKFENJUQT-UHFFFAOYSA-N 278.316 -0.224 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)COC(F)F 843655599 NKGXUHKZIISZMJ-PHDIDXHHSA-N 252.217 -0.202 50 20 CBGD CNC(=S)N(C)NC(=O)COc1cc(C)on1 854928370 WALPFPRNZZONFA-UHFFFAOYSA-N 258.303 -0.171 50 20 CBGD CCC[C@H](OCC)C(=O)NNC(=O)C(=O)NC(C)C 858168614 YZXMFBVXEMKOSJ-VIFPVBQESA-N 273.333 -0.136 50 20 CBGD C[C@H](CCN(C)C)NC(=O)NNC(=O)c1cn[nH]c1 858281820 ZWALPGLSSUILQJ-MRVPVSSYSA-N 268.321 -0.306 50 20 CBGD C[C@]1(C#N)CCCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858699355 ORZUMFIACXWCSK-TVQRCGJNSA-N 293.327 -0.369 50 20 CBGD C[C@@H](C(=O)NNC(=O)C1CCC1)[C@@H]1CCC(=O)N1 859329231 ZEHKPKASQGMTHX-APPZFPTMSA-N 253.302 -0.151 50 20 CBGD O=C(CCn1cc(Cl)cn1)NNC(=O)[C@H]1CCC(=O)N1 862453537 WXHGSYMOXSNXQC-MRVPVSSYSA-N 299.718 -0.647 50 20 CBGD CCC[C@H](NNC(=O)[C@H]1CCC(=O)N1)C(=O)OCC 863378700 JAVZPNJBSAKFBA-BDAKNGLRSA-N 271.317 -0.382 50 20 CBGD COC(=O)[C@H](NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 863379141 PBHKFTPWXKDHRT-CMPLNLGQSA-N 291.307 -0.200 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1[C@H]2CCC[C@H]21 863462281 ATIRAXABIOYDIW-QMSLJYSESA-N 260.315 -0.776 50 20 CBGD CC(C)(CCl)CS(=O)(=O)N[C@]1(C(N)=O)CCOC1 867487518 LZGIHALLKGTSCG-SNVBAGLBSA-N 298.792 -0.185 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H]1C[C@H](N)C1(C)C 883442524 NARTWCNOOJSJHU-XHNCKOQMSA-N 256.350 -0.352 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H]1CN(CC)CCO1 887144127 BWGNJZHAXZLAQI-NSHDSACASA-N 267.329 -0.342 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H](O)c1cnn(C)c1 887148029 LIZFTXIEMOQPPT-LLVKDONJSA-N 264.285 -0.596 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)C[C@@H]1CC(=O)N1 899998515 QYFIMFPBBUNTNI-LURJTMIESA-N 258.347 -0.441 50 20 CBGD CN1C(=O)CCC[C@H]1C(=O)NNC(=O)c1cccn1C 905346616 VRAPHXKEPBJWID-JTQLQIEISA-N 278.312 -0.203 50 20 CBGD CN1CCC(NC(=S)NNC(=O)C2CC2)CC1 920307520 PPJQWCSGPDGWHX-UHFFFAOYSA-N 256.375 -0.014 50 20 CBGD CCCCNC(=O)NNC(=S)NCC(=O)N(C)C 920758998 ANWVDDVDCUBOGO-UHFFFAOYSA-N 275.378 -0.447 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1C 930718150 MWCPYVGSXUCWCU-MRVPVSSYSA-N 256.306 -0.262 50 20 CBGD O=C(NCC1CC1)NNC(=O)C(=O)Nc1ccccn1 1116258869 ZJCVWKBAAOOSAC-UHFFFAOYSA-N 277.284 -0.240 50 20 CBGD NC(=O)C(=O)NNC(=O)Cc1c[nH]c2ccccc12 1119095886 FJTUBNLWEZHWNT-UHFFFAOYSA-N 260.253 -0.657 50 20 CBGD C=C[C@@](C)(O)CC(=O)NNC(=O)C(=O)Nc1ccccn1 1261204032 DBFOMFBWWMHADG-CYBMUJFWSA-N 292.295 -0.505 50 20 CBGD C#CCOCCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1261453873 RFTUYZSRATZSGG-ZJUUUORDSA-N 269.301 -0.608 50 20 CBGD CC(=O)N1CCC(C(=O)NNC(=O)c2cc[nH]n2)CC1 1261750959 MRDYGHDFJFPBFZ-UHFFFAOYSA-N 279.300 -0.571 50 20 CBGD CCCCNC(=O)NNC(=O)CN1CCC(CO)CC1 1262604989 KLRYPPMBDNDZAG-UHFFFAOYSA-N 286.376 -0.179 50 20 CBGD O=C(NCc1ccon1)NNC(=O)C(=O)N1CCCC1 1319362012 URVOGLCUOVDPAM-UHFFFAOYSA-N 281.272 -0.873 50 20 CBGD CC[C@@H](C)n1ncc(NC(=O)C(=O)NNC(=O)CO)c1C 1320706832 HRAWUTLRTUCNQI-SSDOTTSWSA-N 297.315 -0.759 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC2(CC1)COC(=O)N2 1323731229 VEQPWCOKPOXQBJ-VIFPVBQESA-N 298.343 -0.493 50 20 CBGD C[C@H](O)C(=O)NNC(=O)c1nnc(O)c2ccccc12 1324410512 ZYYYLSLGCLXAJK-LURJTMIESA-N 276.252 -0.523 50 20 CBGD O=C(NNS(=O)(=O)c1ncc[nH]1)c1ccccc1O 1324631640 WYSXLCZUCVJDOM-UHFFFAOYSA-N 282.281 -0.261 50 20 CBGD COc1cccc(NNC(=O)C(=O)Nc2cnn(C)c2)n1 1325239491 FWIZVBAFCCJPNH-UHFFFAOYSA-N 290.283 -0.095 50 20 CBGD O=C(NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccnnc1 1335920833 PPRTYRLYSXDKCD-SECBINFHSA-N 289.295 -0.752 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21 1340644039 QAQLFLLULIMMJK-VPJKUYQRSA-N 268.313 -0.016 50 20 CBGD NC1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 1574268908 KICJFJOVWLYCMU-UHFFFAOYSA-N 264.241 -0.153 50 20 CBGD C=CCCC[C@@H](N)C(=O)NNC(=O)c1ccc(=O)n(C)c1 1574908845 XZJMQPXRRCTEER-LLVKDONJSA-N 292.339 -0.170 50 20 CBGD COCCN(CC(C)C)NC(=O)CN1CCNCC1 1579026964 YARRQBRGOOMNNV-UHFFFAOYSA-N 272.393 -0.473 50 20 CBGD NCCNC(=O)NNC(=O)c1cccc2nsnc12 1580312740 UQIMMCYVHGPKNB-UHFFFAOYSA-N 280.313 -0.406 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCn2ncnc21)[C@@H]1CCCNC1 1580732985 LLQAMWWDKNETHQ-NXEZZACHSA-N 292.343 -0.698 50 20 CBGD C[C@@]1(C(=O)NNC(=O)c2cnc(C(=O)O)cn2)CCCO1 1589181761 UFHBGHYXFFMWCI-LBPRGKRZSA-N 294.267 -0.495 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)C(=O)O)C(=O)OC(C)(C)C 1592675733 FYKRMKJPMLYMJG-LURJTMIESA-N 289.288 -0.621 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@@H]1CC(C(=O)O)=NO1 1594711273 NWUPIJNKLAPUMO-VIFPVBQESA-N 292.251 -0.999 50 20 CBGD NC(=O)NCCC(=O)NNc1ccccc1C(=O)O 1601157493 LBZQJLREMBQUSU-UHFFFAOYSA-N 266.257 -0.114 50 20 CBGD O=C(NNC(=O)c1cnc(C(=O)O)cn1)c1ccncc1 1601556036 WVBBJJMYKQMXHE-UHFFFAOYSA-N 287.235 -0.355 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(C(=O)O)cn1 1603068411 LBKICLDWEACHRD-UHFFFAOYSA-N 294.267 -0.935 50 20 CBGD CCNC(=O)NNC(=O)CCc1ocnc1C(=O)O 1605494686 GJZVPLKRZWTMLW-UHFFFAOYSA-N 270.245 -0.344 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1c[nH]c(C(=O)O)c1 1608358533 QCMIPQMQGIMMFT-UHFFFAOYSA-N 277.240 -0.560 50 20 CBGD CC(C)(C)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 42872475 OWCCHXREIWYBAG-SSDOTTSWSA-N 277.346 -0.450 50 20 CBGD O=C(CN1CCC[C@H]1CO)NNC(=O)c1ccccc1 50116569 LMEFHIJINNGTKS-LBPRGKRZSA-N 277.324 -0.096 50 20 CBGD C[C@H]1C(=O)NCCN1S(=O)(=O)CBr 127457262 ONTLRIFDHDYRQH-YFKPBYRVSA-N 271.136 -0.511 50 20 CBGD CCN(CC(N)=O)CC(=O)NNC(=O)c1ccccc1 191719558 GADDVBYEJARZMX-UHFFFAOYSA-N 278.312 -0.745 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)o1 264086976 FMPBYISKTDAHTP-SSDOTTSWSA-N 289.313 -0.713 50 20 CBGD CNC(=O)NCC(=O)NNc1cccc(C(=O)OC)c1 272948681 IEZVARUALXUORN-UHFFFAOYSA-N 280.284 -0.155 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)n1 279716026 BFKSMBHEJXXELV-YUMQZZPRSA-N 295.299 -0.730 50 20 CBGD C=CCNC(=S)NNC(=O)C(C)(C)NC(=O)OC 280860030 AZXZYNZYWKYGKN-UHFFFAOYSA-N 274.346 -0.198 50 20 CBGD CN(NC(=O)Cn1ncn(C)c1=O)C(=O)OC(C)(C)C 297545569 FIENURGHJNLBBW-UHFFFAOYSA-N 285.304 -0.520 50 20 CBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)C1CCCC1 496870822 KAPVBHXWFSXYKK-SVRRBLITSA-N 255.274 -0.179 50 20 CBGD CCN(CC(=O)Nc1cccc(B(O)O)c1)C1CC1 584911063 HCTXNJMTDIUFGG-UHFFFAOYSA-N 262.118 -0.211 50 20 CBGD COCCOCCCCNC(=O)c1ccc(B(O)O)cc1 584937016 PADHIJBJODHLMG-UHFFFAOYSA-N 295.144 -0.461 50 20 CBGD CC(C)(CCO)CNC(=O)c1ccc(B(O)O)cc1 584959979 NBRQUQQNJWUQIL-UHFFFAOYSA-N 265.118 -0.495 50 20 CBGD O=C(NC[C@H](CO)C1CCC1)c1cccc(B(O)O)c1 584988735 SPYMHAXHTZAWSD-GFCCVEGCSA-N 277.129 -0.495 50 20 CBGD OB(O)c1ccc(CN[C@H]2c3ccccc3C[C@@H]2O)o1 585028931 SRLMKPFLBXREKR-JSGCOSHPSA-N 273.097 -0.293 50 20 CBGD Cc1cnc(CCNCc2ccc(B(O)O)cc2)cn1 585044551 MMARKPMZMIPMRJ-UHFFFAOYSA-N 271.129 -0.203 50 20 CBGD OB(O)c1ccc(CNC[C@@H]2CCN2C2CC2)cc1 585049415 GHDWNQDVMXFXNC-AWEZNQCLSA-N 260.146 -0.307 50 20 CBGD O=S(=O)(C[C@@H]1CCCO1)N1CC[C@@H](B(O)O)C1 585057868 MNJIBNISJYTDGB-BDAKNGLRSA-N 263.124 -0.956 50 20 CBGD N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](B(O)O)C1 585059063 YHHHWGLZKWHPHQ-VIFPVBQESA-N 298.104 -0.065 50 20 CBGD O=C(NCB(O)O)c1cc(F)c(F)c(F)c1F 585062383 GVNVHLOVJJBRSW-UHFFFAOYSA-N 250.944 -0.015 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])n2C)cn1 735446308 NFKWIQSGJKAUIM-UHFFFAOYSA-N 292.255 -0.258 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)CCCNC(=O)O)n1 738369106 JXMBZTHMMIXZPD-UHFFFAOYSA-N 297.315 -0.305 50 20 CBGD CN(C)c1nccc(NNC(=O)CCN2CCCC2=O)n1 740113518 CCVPSMSDOTVKQQ-UHFFFAOYSA-N 292.343 -0.002 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CCCN1C1CCCC1 753436712 BQHNHNHLPSVMRE-SNVBAGLBSA-N 255.318 -0.467 50 20 CBGD O=C(CO)NNC(=O)CSC[C@H]1CCCCO1 753451397 DWGAFZRNZPMKCS-MRVPVSSYSA-N 262.331 -0.572 50 20 CBGD CC(C)(C)C(=O)NNC(=O)c1coc(S(N)(=O)=O)c1 757633728 FSROQLBSEXYLHD-UHFFFAOYSA-N 289.313 -0.266 50 20 CBGD COC(=O)c1ccc(NNC(=O)c2nccnc2N)nc1 759726468 YDQGZKDXTVADPM-UHFFFAOYSA-N 288.267 -0.003 50 20 CBGD Cc1cn2c(C=NNC(=O)C(N)=O)c(C)nc2s1 767033421 KLCIBNOKKSJQBT-UHFFFAOYSA-N 265.298 -0.052 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CSCCS1 768260122 SAOYUJCXQKBHDI-ZCFIWIBFSA-N 264.372 -0.247 50 20 CBGD CC(C)(C)c1nnc2ccc(C(=O)NNC(=O)CO)cn12 769650164 FRYXDKPPUHITRF-UHFFFAOYSA-N 291.311 -0.220 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@H]2CCN(C)C2=O)nc1 773518269 SMSMKSCLJLXIMS-SECBINFHSA-N 292.295 -0.210 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cccc(C(N)=O)n1 782126336 VPSSUAIPDKRYFA-UHFFFAOYSA-N 265.273 -0.513 50 20 CBGD CO[C@H](C)CCC(=O)NNC(=O)C(=O)NC1CC1 782552369 IAYXHEDIAZHKND-SSDOTTSWSA-N 257.290 -0.773 50 20 CBGD CC[C@@](C)(OC)C(=O)NNC(=O)C(=O)Nc1ccccn1 795173366 BBLHDWRUXZTNQL-CYBMUJFWSA-N 294.311 -0.017 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@](F)(CO)C1 802011425 AQJOYEMMHZOBOH-KWQFWETISA-N 261.297 -0.661 50 20 CBGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1cc[nH]n1 814816181 ORXHDDQWOUOSEY-QMMMGPOBSA-N 285.329 -0.380 50 20 CBGD O=C(NNC(=O)c1nc[nH]n1)c1ccc(-c2nn[nH]n2)cc1 826445341 QCBQKQCZHFXZGV-UHFFFAOYSA-N 299.254 -0.940 50 20 CBGD CCN1CCO[C@@H](C(=O)NNC(=O)[C@@H]2CCCCO2)C1 833246499 LJUOBKPGCNJGBX-WDEREUQCSA-N 285.344 -0.576 50 20 CBGD O=C(CO)NNC(=O)COCc1cccc(Cl)c1 839720113 DQOHXDVKVHXPEX-UHFFFAOYSA-N 272.688 -0.004 50 20 CBGD CCCN1C[C@H](C(=O)NNC(=O)NC2CC2)CC1=O 840287939 BCHPJGIKACHYQA-MRVPVSSYSA-N 268.317 -0.262 50 20 CBGD CC(Cn1cncn1)=NNC(=O)C(=O)N1CCCC1 853298256 POCFUTUGJKMJGS-UHFFFAOYSA-N 264.289 -0.607 50 20 CBGD O=C(CCn1ccnn1)NNC(=S)NCC1CCC1 855089505 UFJLFFRHNDGXAY-UHFFFAOYSA-N 282.373 -0.036 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)c2cccc(F)n2)CC1 856424529 ODVZDPFBCZLVBV-UHFFFAOYSA-N 280.259 -0.492 50 20 CBGD COC[C@](C)(O)C(=O)NNc1nccnc1OC 857540055 RLTNAKPJUWDSQR-JTQLQIEISA-N 256.262 -0.674 50 20 CBGD COC1CC(C(=O)NNC(=O)c2c[nH]nc2C)C1 859266455 KUYLXRPISQVARE-UHFFFAOYSA-N 252.274 -0.096 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCc2nc[nH]c2C1 859308137 OPAKMRLLLNQKIG-MRVPVSSYSA-N 265.317 -0.286 50 20 CBGD CCn1nccc1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 860880109 RUHAWXCNSJMZDN-SSDOTTSWSA-N 280.288 -0.666 50 20 CBGD C[C@H](NNC(=O)[C@H]1CCS(=O)(=O)N1)C(F)(F)F 862323154 QIMMSIQJTQSAJR-CRCLSJGQSA-N 275.252 -0.750 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCC1 862457444 JPYZFWBCUMBEPG-MRVPVSSYSA-N 297.311 -0.854 50 20 CBGD CO[C@@H](C)CCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862461744 QYFFRQYRCIAKLF-JGVFFNPUSA-N 257.290 -0.773 50 20 CBGD COC(=O)c1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)[nH]1 863148599 FTRPUTNPDGORSF-MRVPVSSYSA-N 278.268 -0.470 50 20 CBGD COC(=O)c1cc(C=NNC(=O)CS(C)(=O)=O)c[nH]1 863187163 AILFZRIWHPTSPK-UHFFFAOYSA-N 287.297 -0.704 50 20 CBGD O=C(NNC(=O)C1CCCC1)c1cc(B(O)O)ccc1F 863868642 CLDUVAPZELWNRK-UHFFFAOYSA-N 294.091 -0.543 50 20 CBGD COC(=O)C(C)(C)N(C)C(=O)c1cc(B(O)O)ccc1F 863884593 OCMQZFDYOKAXNF-UHFFFAOYSA-N 297.091 -0.471 50 20 CBGD CCO[C@@H]1C[C@H]1C(=O)NNC(=O)Cc1cc(C)[nH]n1 869012217 KGBKDBOWEHZATG-NXEZZACHSA-N 266.301 -0.167 50 20 CBGD OB(O)c1cccc(CN[C@@H]2CCN(CC3CC3)C2)c1 877024855 QBNSNCINRXWNRC-OAHLLOKOSA-N 274.173 -0.060 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc(C(F)F)n(C)n1 894135545 USXJFJUXPHLWHU-UHFFFAOYSA-N 275.259 -0.320 50 20 CBGD COCc1cn(CC(=O)NNC(=O)C(C)(C)C)nn1 900547971 ZZJQPFZAIFBERH-UHFFFAOYSA-N 269.305 -0.382 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCCCN(C)C1=O 910139978 WDIZYTMHDMFBPZ-VHSXEESVSA-N 257.334 -0.411 50 20 CBGD CCn1ccc(CC(=O)NNC(=O)CN2CCCC2=O)n1 913733242 BHIUVBKKTRKJLF-UHFFFAOYSA-N 293.327 -0.785 50 20 CBGD CO[C@H](C)c1nsc(NC(=O)NNC(=O)CCO)n1 1117624736 NODHJNQLQGVLGQ-RXMQYKEDSA-N 289.317 -0.219 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCc1ccc(O)cc1 1252439088 VFDCGTABPMWRMY-UHFFFAOYSA-N 281.268 -0.562 50 20 CBGD O=C(NNc1nc[nH]n1)[C@H]1CCc2ncncc2C1 1261501602 GXPVJMREARAFCN-ZETCQYMHSA-N 259.273 -0.157 50 20 CBGD CN(NC(=O)[C@@H]1CCc2nnc(O)n2C1)C1CC1 1262630228 UOOOMEQPFLQTEQ-SSDOTTSWSA-N 251.290 -0.329 50 20 CBGD COc1cc(NC(=O)C(=O)NNC(=O)C(C)C)ncn1 1320231231 NDPFFGCWRHQFOE-UHFFFAOYSA-N 281.272 -0.773 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1C[C@H]2CC[C@H]1C2 1321918456 BYGPGKRBEXJDOF-CIUDSAMLSA-N 269.301 -0.074 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccn(-c2ccncc2)n1 1324696070 LGKWDUNODRXBRE-UHFFFAOYSA-N 288.311 -0.410 50 20 CBGD O=C(C[C@@H]1CCC(=O)N1)NNC(=O)NCc1ccco1 1328183414 HQKXPYDSSMXJSE-QMMMGPOBSA-N 280.284 -0.221 50 20 CBGD C[C@@H](CO)N(C)NC(=O)C(C)(C)S(C)(=O)=O 1330879616 NTUCGJRTSJROCQ-ZETCQYMHSA-N 252.336 -0.847 50 20 CBGD O=C(C[C@@H]1CCCOC1)NNC(=O)[C@@H]1CCC(=O)N1 1331692237 VWNQUZYMHRWBAO-IUCAKERBSA-N 269.301 -0.771 50 20 CBGD CN1CCC(CNC(=S)NNC(=O)c2ncon2)CC1 1335183831 GLZNBCLXWFKKBQ-UHFFFAOYSA-N 298.372 -0.480 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1cncnc1OC 1338006379 WREFPRWMPQINCG-UHFFFAOYSA-N 283.244 -0.799 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc(F)n1 1340759803 ISDJMWCLBYIPPG-UHFFFAOYSA-N 283.263 -0.148 50 20 CBGD C[C@@H]1[C@@H](C(=O)NNC(=O)N2CCN(C)CC2)C1(F)F 1347043588 OOVPZNWUKVVUCH-SFYZADRCSA-N 276.287 -0.124 50 20 CBGD Cc1cn2ccnc(C(=O)NNC(=O)[C@H]3CCN3)c2n1 1579818993 OGLXNXBEFXWCIC-MRVPVSSYSA-N 274.284 -0.839 50 20 CBGD C[C@@H]1[C@H](Cl)[C@@H]1CNCCn1cnc(-c2nn[nH]n2)n1 1590169624 QEJHYLHLSJCSGV-RNJXMRFFSA-N 282.739 -0.079 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)c1cccc(C)n1 1593911880 RXQMBXHETKAMNT-MRVPVSSYSA-N 267.241 -0.749 50 20 CBGD Cc1cc(N2CC[C@@H](B(O)O)C2)n2nc(C(=O)O)nc2n1 1600237921 DEAKWRMKKATHRU-SSDOTTSWSA-N 291.076 -0.816 50 20 CBGD Cc1cccc(NC(=O)C(=O)NNC(=O)C(=O)O)c1C#N 1600538487 KCOUOCYUCVTOJJ-UHFFFAOYSA-N 290.235 -0.963 50 20 CBGD O=C(O)CCCNC(=S)NNC(=O)N1CCOCC1 1601993431 MMXXKBKSHBZBBB-UHFFFAOYSA-N 290.345 -0.728 50 20 CBGD O=C1CC[C@H](C(=O)NN[C@H](C(=O)O)c2ccccc2)N1 1602638016 KYBHSXCGTGBEOL-KOLCDFICSA-N 277.280 -0.288 50 20 CBGD COC(=O)NNC(=O)Nc1cccc(-c2nn[nH]n2)n1 1604950733 HUOQXZPKTGNPOP-UHFFFAOYSA-N 278.232 -0.346 50 20 CBGD Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NN(C)C[C@@H](C)O 1605453219 XBJWWHSRBIDMER-ZCFIWIBFSA-N 279.304 -0.539 50 20 CBGD O=C(NCCc1ccc2c(c1)CCO2)NNC(=O)C(=O)O 1608452010 BFUJOZPWDNSYDL-UHFFFAOYSA-N 293.279 -0.421 50 20 CBGD O=C(O)Cc1cccc(NC(=O)NNC(=O)CCO)c1 1611506506 DVXCCTJPVHLWKJ-UHFFFAOYSA-N 281.268 -0.151 50 20 CBGD CCCNC(=O)NNS(=O)(=O)c1cnn(C)c1 49275464 UOYPNJZGPHGGBX-UHFFFAOYSA-N 261.307 -0.677 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CNC(=O)C(C)(C)C 72785069 XIAPAKHKDWYCRF-UHFFFAOYSA-N 280.328 -0.052 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@@H]2CN(C)CCO2)n1 173799561 UIPYILHSMMENGM-JTQLQIEISA-N 265.317 -0.133 50 20 CBGD Cn1c(NNC(=O)[C@@H]2CCNC2)nc2ccccc2c1=O 237870035 YFUQSWBVPRFMKP-SECBINFHSA-N 287.323 -0.014 50 20 CBGD Cn1c(=O)[nH]c2ccc(C(=O)NNC(=O)NC3CC3)cc21 269704085 KPUWKFLICKABPP-UHFFFAOYSA-N 289.295 -0.027 50 20 CBGD C=C[C@@](C)(CCOC)C(=O)NNC(=O)C(=O)N1CCCC1 275795031 OAEXSOAILWLBFF-AWEZNQCLSA-N 297.355 -0.015 50 20 CBGD CCOC(=O)/C(C#N)=C/NCC(=O)NCC(F)F 281211835 SOYDNZLAFGGPCL-QPJJXVBHSA-N 261.228 -0.072 50 20 CBGD COC(=O)COCC(=O)NNc1ccc(C(=O)OC)cn1 287710316 NALHQAZSPGZMBX-UHFFFAOYSA-N 297.267 -0.499 50 20 CBGD CN(C)CC(=O)NNC(=O)CCCn1cccc1 295238901 LJYLAVZTNFSQJZ-UHFFFAOYSA-N 252.318 -0.023 50 20 CBGD O=C(NC[C@H]1CN2CCC[C@@H]2CO1)NNc1cccnn1 365422403 RZXHJFWZSORKNF-MNOVXSKESA-N 292.343 -0.034 50 20 CBGD COC(=O)NNC(=S)NCCCN1CCOCC1 490555875 JRFMASXDHJKJBZ-UHFFFAOYSA-N 276.362 -0.556 50 20 CBGD C[C@H](O)C[C@@H](C)CNC(=O)c1ccc(B(O)O)c(F)c1 584952776 YSCZGFDULBQJCK-BDAKNGLRSA-N 283.108 -0.358 50 20 CBGD C[C@@H](CO)CN(C)C(=O)c1cccc(B(O)O)c1 584967270 HXUMEPKIRNIIFQ-SECBINFHSA-N 251.091 -0.933 50 20 CBGD CC(C)(CCCO)CNC(=O)c1cccc(B(O)O)c1 584970555 QBBRVECVOVNYFN-UHFFFAOYSA-N 279.145 -0.105 50 20 CBGD C[C@H]1[C@H](N(C)C)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584991472 AZNBOGONAFGDFI-TVQRCGJNSA-N 294.135 -0.330 50 20 CBGD Cc1cnccc1CCNCc1ccc(B(O)O)o1 585029646 IGBOYMORMRICTP-UHFFFAOYSA-N 260.102 -0.005 50 20 CBGD CCO[C@H](CCN(C)C)CNCc1ccccc1B(O)O 585033669 ISQVNKDFWKNMQR-CQSZACIVSA-N 294.204 -0.187 50 20 CBGD C[C@@H]1CN(CCCNCc2ccc(B(O)O)o2)CCCO1 585037546 BJVSSCACAMLTSW-GFCCVEGCSA-N 296.176 -0.450 50 20 CBGD OC[C@@H](CNCc1ccc(B(O)O)cc1)[C@@H]1CCOC1 585039244 PQJPEXNWWQSFSI-CHWSQXEVSA-N 279.145 -0.899 50 20 CBGD OC[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NCc1ccccc1B(O)O 585040188 GZFRXRUJOKDOAL-TZQJONAQSA-N 275.157 -0.137 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)Cn1cnnn1 726273386 BUMXSSBTLGHYSR-UHFFFAOYSA-N 260.257 -0.557 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cscn1 728435377 ZJOBGEZSUPQQGI-ZCFIWIBFSA-N 276.343 -0.469 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)C2(C(N)=O)CC2)c1 731631193 SMLZMPPTKSVZPJ-UHFFFAOYSA-N 272.264 -0.415 50 20 CBGD CN(C)CC(=O)NNC(=O)CCc1cscn1 733359329 DCXKXGYZIKEAHH-UHFFFAOYSA-N 256.331 -0.215 50 20 CBGD Cc1nonc1C(=O)NNC(=O)COc1ccccc1O 736674921 WQTXLWLLLHNBBR-UHFFFAOYSA-N 292.251 -0.076 50 20 CBGD O=C(Cc1cc(O)nc(O)n1)NNC1=N[C@H]2C=C[C@H]1C2 743447729 MLUKVZAIXZFJRT-BQBZGAKWSA-N 275.268 -0.592 50 20 CBGD CC(=O)Nc1cc(NC(=O)NNC(=O)CO)ccc1F 755617147 ZQJOQPROPSWAQL-UHFFFAOYSA-N 284.247 -0.071 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1ccon1 757852771 ZSBCJIFJWQTAFS-SSDOTTSWSA-N 272.261 -0.121 50 20 CBGD Cc1cc2c(cc1NC(=O)NNC(=O)CO)OCO2 757978836 LLWJRHRMNRJWAR-UHFFFAOYSA-N 267.241 -0.131 50 20 CBGD Cc1cc(C)nc(NNC(=O)Cn2cc([C@H](C)O)nn2)n1 762971553 IMPANFPPUZSIFJ-VIFPVBQESA-N 291.315 -0.118 50 20 CBGD COc1cccc([C@@H](O)C(=O)NNC(=O)C(C)(C)O)c1 768259368 LOWSSPHTGNRDBI-SNVBAGLBSA-N 282.296 -0.353 50 20 CBGD CN(NC(=O)c1cc2c(cc1O)OCO2)C(N)=O 778418248 LTTKWCCYJHBSHW-UHFFFAOYSA-N 253.214 -0.224 50 20 CBGD O=C(CCn1cncn1)NNc1nc2ccccn2n1 791254152 VWACMCNSTKCDJC-UHFFFAOYSA-N 272.272 -0.146 50 20 CBGD C[C@@H](CC(=O)NNC(=O)CN(C)C)n1cccn1 819876179 RLUHJPSHALVBDW-VIFPVBQESA-N 253.306 -0.457 50 20 CBGD CCOC(=O)[C@@H](CC(=O)NNC(=O)N(C)C)C(C)=O 824626719 ACSXTRASMIUICF-QMMMGPOBSA-N 273.289 -0.553 50 20 CBGD CS(=O)(=O)c1ccc(NNC(=O)[C@@H]2CC(=O)N2)cc1 830781843 KQVSMJPLJYNYRK-VIFPVBQESA-N 283.309 -0.578 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(C(N)=O)CCC1 843971724 DGZKWOKTYFCBTC-YUMQZZPRSA-N 269.301 -0.786 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843974160 BQCCZINTYPNCQW-GMTAPVOTSA-N 285.344 -0.721 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)N1CCC(OC)CC1 849386617 JWBLEXHLTCVTLO-UHFFFAOYSA-N 294.377 -0.492 50 20 CBGD O=C(CC1OCCCO1)NNC(=O)c1cc[nH]n1 855356298 KFPHPWSWULZIAG-UHFFFAOYSA-N 254.246 -0.676 50 20 CBGD O=C(CC1(O)CCCC1)NNC(=O)c1cc[nH]n1 855358395 IVCINDNNVCSZPC-UHFFFAOYSA-N 252.274 -0.134 50 20 CBGD COc1ccnc(NNC(=O)[C@H]2CCOC(=O)N2)n1 858403553 GBSSLCNDIWRIPB-ZCFIWIBFSA-N 267.245 -0.573 50 20 CBGD C[C@@H]1[C@H](CO)CCCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858702311 HBQQLLIMLBKEQJ-UTLUCORTSA-N 298.343 -0.901 50 20 CBGD CN1C(=O)CN(CC(=O)NCC(Cl)Cl)C1=O 861697526 ZVUCEUJTXIMWSH-UHFFFAOYSA-N 268.100 -0.200 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)N1 862449873 LDYGHZOTDPQHSP-XKNYDFJKSA-N 265.313 -0.151 50 20 CBGD CSC[C@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862455931 SOQXDTUYTMAQPU-NKWVEPMBSA-N 259.331 -0.589 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(O)c1O 862458131 YCOTVAKRWXGMJL-MRVPVSSYSA-N 293.279 -0.554 50 20 CBGD C[C@H]1CC(=NNC(=O)CS(C)(=O)=O)CN1C1CC1 863187288 FWVAVNMSWUXCNO-QMMMGPOBSA-N 273.358 -0.240 50 20 CBGD NC(=O)NN=Cc1c(Cl)nc(N)nc1N1CCOCC1 873833104 VOYUKVRITUEMKD-UHFFFAOYSA-N 299.722 -0.449 50 20 CBGD CN1CCCC[C@@H](C(=O)NNc2nccn(C)c2=O)C1=O 879073742 SMSUHLYXZNKHIS-VIFPVBQESA-N 293.327 -0.518 50 20 CBGD NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)CCCCl)O1 881985699 DFFHYEUVHCQTKY-JGVFFNPUSA-N 284.765 -0.432 50 20 CBGD COc1ccc(C(=O)O)cc1S(=O)(=O)NNC(C)=O 916108202 SWLHQIGJJGIMJP-UHFFFAOYSA-N 288.281 -0.277 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC[S@@](C)=O 1118182633 FYAUCDPPLJNTAP-PTJHWVCESA-N 277.346 -0.880 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(S(C)(=O)=O)CC1 1118218082 HCVXBBYILWBVBH-SFYZADRCSA-N 290.341 -0.864 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H]1CCN2CCC[C@H]2C1 1118864940 VCWXIYLQPSHQNT-QWRGUYRKSA-N 292.343 -0.020 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)Cc1cccnc1 1251620251 ZFCDKMJNLFPVMF-QMMMGPOBSA-N 264.285 -0.704 50 20 CBGD Cc1cccc(NC(=O)C(=O)NNC(=O)CN(C)C)n1 1256008966 BQXVXVNPBMZLNV-UHFFFAOYSA-N 279.300 -0.962 50 20 CBGD CCCCNC(=O)NNC(=O)CCCCNC(N)=O 1317992580 JTRCSAMUNBYKHP-UHFFFAOYSA-N 273.337 -0.045 50 20 CBGD Cn1cc(C=NNC(=O)C(N)=O)c(C(C)(C)C)n1 1319716055 SSOFMCLDPPOPDC-UHFFFAOYSA-N 251.290 -0.347 50 20 CBGD C=C[C@@H](C)ONC(=O)NNC(=O)C(=O)NC1CC1 1326452555 KEPWGDIZGUCWKB-ZCFIWIBFSA-N 256.262 -0.899 50 20 CBGD Cn1nncc1NNC(=O)CNC(=O)c1cccs1 1330424159 NATQAFJELZJTHT-UHFFFAOYSA-N 280.313 -0.250 50 20 CBGD O=C(NC[C@H]1C[C@H]2C=C[C@H]1C2)NNC(=O)C(=O)NC1CC1 1333840471 IGHIEPDBOOICHF-LPEHRKFASA-N 292.339 -0.192 50 20 CBGD Cc1nn(C)c(N)c1C=NNC(=O)c1cnn(C)c1 1347634546 QXTMEYKCPLHXHS-UHFFFAOYSA-N 261.289 -0.192 50 20 CBGD O=C(NNC(=O)c1ncccc1F)C(=O)NC1CC1 1347901593 MWBWMOURPIJGHS-UHFFFAOYSA-N 266.232 -0.740 50 20 CBGD CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)C1CCOCC1 1354138150 MOYNXVUMPGRDBZ-GFCCVEGCSA-N 297.355 -0.039 50 20 CBGD COC(=O)C1CN(C(=O)/C(C#N)=C/c2cnn(C)c2)C1 1514892824 USMVPYCGGRSMIE-XCVCLJGOSA-N 274.280 -0.042 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H]1[C@H]2CCNC[C@H]21 1575722227 IRSCORAWMXMNRB-YIZRAAEISA-N 256.375 -0.254 50 20 CBGD NCCCC(=O)NNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 1580289257 NRVZRRXDNYNGFE-HTQZYQBOSA-N 251.290 -0.601 50 20 CBGD O=C(NNC(=O)[C@@H]1NCC[C@@H]2CCCC[C@@H]21)c1ncon1 1580736597 YZDMPIZSYMYZAI-LPEHRKFASA-N 293.327 -0.001 50 20 CBGD C[C@@H](C(=O)O)C(=O)NNC(=O)Cc1cccnc1 1588573961 PMCYUHVMEXURSP-SSDOTTSWSA-N 251.242 -0.508 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(CCOC)CCC(=O)O 1589425125 YGAPIVYBLADKAF-VIFPVBQESA-N 289.332 -0.645 50 20 CBGD CN(CCCC(=O)O)C(=O)c1ccc(B(O)O)cc1 1593747194 YBUFZBYELFZHLI-UHFFFAOYSA-N 265.074 -0.697 50 20 CBGD C[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C[C@H]1C(=O)O 1594646497 YDKUQBNDUZKSCU-DOLQZWNJSA-N 299.327 -0.195 50 20 CBGD Cc1cccnc1C(=O)NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1600590055 QRJKHOVMAZGHTR-BDAKNGLRSA-N 293.279 -0.217 50 20 CBGD Cc1cccc2c1N(C(=O)C(=O)NNC(=O)C(=O)O)CC2 1610527539 NNUNZRMOBAMIEN-UHFFFAOYSA-N 291.263 -0.884 50 20 CBGD NNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 70193230 OCFDRARKRVKRDY-UHFFFAOYSA-N 266.213 -0.690 50 20 CBGD N#CC1CCN(CC(=O)NNC(=O)C2CC2)CC1 112978122 RXONXHYMLXESSX-UHFFFAOYSA-N 250.302 -0.221 50 20 CBGD CO[C@H](C)C(=O)NNC(=O)COc1ccccc1O 264557913 PZCJTONUCVRUIA-MRVPVSSYSA-N 268.269 -0.047 50 20 CBGD CC(C)N(C)S(=O)(=O)NNC(=O)c1ccccn1 267081579 SGHVBSQVLFPNMJ-UHFFFAOYSA-N 272.330 -0.099 50 20 CBGD CC(=O)NNC(=O)[C@H](C)n1nnnc1C(C)(C)C 273500490 YSUDUHASZKMGTG-LURJTMIESA-N 254.294 -0.301 50 20 CBGD Cc1cc(C(=O)NNC(=O)N2CCN(C)CC2)no1 278689546 REYXDRHEBBXTAA-UHFFFAOYSA-N 267.289 -0.415 50 20 CBGD O=C(C[C@@H]1CCCC(=O)N1)NNC(=O)c1ccncc1 289212477 WRWRWRYCRDXDOR-JTQLQIEISA-N 276.296 -0.099 50 20 CBGD O=C(CCN1CCOC1=O)NNc1cnccn1 495561767 WTWHAMPYAWENAY-UHFFFAOYSA-N 251.246 -0.238 50 20 CBGD CN1CCC[C@H](C(=O)Nc2cccc(B(O)O)c2)C1=O 584913076 ZHRJRJITTNWPGL-LLVKDONJSA-N 276.101 -0.827 50 20 CBGD CCN1CCC[C@@H]1CNC(=O)c1ccc(B(O)O)cc1 584926116 ZRSZNMKPOAXNGM-CYBMUJFWSA-N 276.145 -0.420 50 20 CBGD C[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)N1CCCC1 584985785 QSNYNBXLXGXXFH-JTQLQIEISA-N 290.128 -0.893 50 20 CBGD CC(C)C[C@@H](CO)CNC(=O)c1ccc(B(O)O)c(F)c1 584985889 RSUGZLHIAVJGGV-SNVBAGLBSA-N 297.135 -0.110 50 20 CBGD C[C@@H](N(C)C(=O)c1ccc(B(O)O)c(F)c1)C(C)(C)O 584997861 MEYAZPMKKOGWTI-MRVPVSSYSA-N 283.108 -0.263 50 20 CBGD O=C(NCCOC(F)F)c1ccc(B(O)O)cc1 585007387 LKSCUFIJBHAVJD-UHFFFAOYSA-N 259.017 -0.665 50 20 CBGD OB(O)c1cccc(CNC[C@@H]2CCN(C3CC3)C2)c1 585018368 VMHMJYDAWVNNGU-ZDUSSCGKSA-N 274.173 -0.060 50 20 CBGD C[C@@H](CN1CCCC1=O)NCc1ccc(B(O)O)cc1 585018765 RLCQDXDJDUCIQX-NSHDSACASA-N 276.145 -0.533 50 20 CBGD C[C@@H](CO[C@H]1CCOC1)NCc1ccc(B(O)O)cc1F 585030037 DEDJMOCRRNXZIS-GWCFXTLKSA-N 297.135 -0.211 50 20 CBGD CC(C)N1C[C@H](NCc2ccc(B(O)O)cc2)CC1=O 585030387 ZTFFTAOVNQYADS-CYBMUJFWSA-N 276.145 -0.535 50 20 CBGD Cc1nc([C@@H](C)NCc2ccccc2B(O)O)no1 585040877 QZMCSVJGPVWWTL-MRVPVSSYSA-N 261.090 -0.091 50 20 CBGD CCS(=O)(=O)C1(CNCc2ccc(B(O)O)o2)CC1 585050120 RUYCHJQQOBTZAD-UHFFFAOYSA-N 287.146 -0.984 50 20 CBGD O=C1NC(=O)c2cc(C(=O)N3CC[C@@H](B(O)O)C3)ccc21 585078916 PKESBCVTEUBDAF-MRVPVSSYSA-N 288.068 -0.741 50 20 CBGD C[C@@]1(CO)CN(S(=O)(=O)CCl)C[C@]1(C)CO 704554845 UWOVOSKDHLQEIO-DTORHVGOSA-N 271.766 -0.175 50 20 CBGD CN1N=C(C(=O)NNC(=O)c2cccc(C#N)c2)CCC1=O 728828193 KWXJQOFOSDCMOJ-UHFFFAOYSA-N 299.290 -0.073 50 20 CBGD C[C@H](CN1CCN(C)CC1)NC(=O)NNc1cccnn1 737049858 PCUGMUFECZPTQR-LLVKDONJSA-N 293.375 -0.261 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)c2nc[nH]n2)cc1 746148045 XCCBMKDBTPNPIJ-UHFFFAOYSA-N 256.225 -0.249 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 746165189 NHIHWDVHYZWHJQ-SSDOTTSWSA-N 280.350 -0.945 50 20 CBGD CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NNC(=O)C(C)(C)O 768261554 MVUDAERWQXRPFQ-VIFPVBQESA-N 299.371 -0.058 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1C[C@H](OCC)[C@@H]1OC 776523857 FLNHWVSSSRFOEA-WCABBAIRSA-N 289.332 -0.454 50 20 CBGD C[C@H]1CCC(=NNC(=O)C(N)=O)[C@H](n2cncn2)C1 794460475 SQDKWROJIOHZSK-IONNQARKSA-N 264.289 -0.403 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H](C)NC(=O)CC 798304441 RJICIGQRYZODMT-SSDOTTSWSA-N 258.347 -0.418 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cnn(C)c1N 807368897 MXARMZNYVRVYNV-UHFFFAOYSA-N 299.331 -0.448 50 20 CBGD C[C@@H](CN(C)C)NC(=O)NNC(=O)c1cnn(C)c1 807576094 NDPBVTARTBBDFK-QMMMGPOBSA-N 268.321 -0.686 50 20 CBGD Cc1ccccc1C(=O)NN=C1C(=O)NC(=O)NC1=O 814216543 QPIKBOSYISNDAA-UHFFFAOYSA-N 274.236 -0.553 50 20 CBGD COC(=O)N(C)CCNC(=O)NNC(=O)c1ccc[nH]1 822802700 SYDLJNVWELCTNH-UHFFFAOYSA-N 283.288 -0.343 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1COCCN1CC(F)F 823934642 IRDGIZCXYNQRKE-RKDXNWHRSA-N 281.303 -0.704 50 20 CBGD C[C@H](CC(=O)O)C(=O)NNC(=O)Cc1cccnc1 827304487 WCPOAGGVJNZPDO-MRVPVSSYSA-N 265.269 -0.118 50 20 CBGD COCC1(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1 843659686 IOWJMXHMXSAXLL-DTWKUNHWSA-N 256.302 -0.015 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCC(=O)C1 843804756 ZMMTVIUXIHIXMX-MRVPVSSYSA-N 283.328 -0.192 50 20 CBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNc1ccncn1 854747473 PNISSMVEOKDAOB-ZETCQYMHSA-N 273.318 -0.753 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1noc2c1COCC2 857867659 IBLMJKXBSZPTBA-JGVFFNPUSA-N 295.295 -0.067 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@H]2CCCS2)N1 858292171 CXHIUTJVOXBSLS-SFYZADRCSA-N 286.357 -0.509 50 20 CBGD CC/C=C\CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858511383 YMUQAYOXTUSQSW-TUUFMJSCSA-N 254.290 -0.438 50 20 CBGD Nc1ncn(CC(=O)NNCC(F)(F)C(F)(F)F)n1 869454619 BFNIPHSFUOHMBJ-UHFFFAOYSA-N 288.180 -0.321 50 20 CBGD CC[C@H](CS(=O)(=O)NNC(=O)C1CCOCC1)OC 882804809 ZAPDIJDDGAKDPR-SNVBAGLBSA-N 294.373 -0.211 50 20 CBGD Cc1ccn2c(=O)c(C(=O)NN(C)C[C@H](C)O)cnc2c1 910169592 FBLYTDGOFNGXRL-JTQLQIEISA-N 290.323 -0.040 50 20 CBGD Cn1cc(/C=C\C(=O)NNC(=O)CN2CCCC2=O)cn1 913730463 WGIDZDMOZVMIIN-PLNGDYQASA-N 291.311 -0.797 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc(C(N)=O)cc1 1115817707 FEKOJQUDUFXOPQ-UHFFFAOYSA-N 257.271 -0.885 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)NC2CC2)s1 1115957394 JAZCFBMLHAWJAP-UHFFFAOYSA-N 268.298 -0.047 50 20 CBGD Cc1nn(CCCl)c(C)c1C(=O)NNC(=O)CO 1116573333 FXHMRXDVKVOXEI-UHFFFAOYSA-N 274.708 -0.508 50 20 CBGD COCCCNC(=S)N(C)NC(=O)c1cn(C)nn1 1261662215 KDHZWHVMAKTBFO-UHFFFAOYSA-N 286.361 -0.697 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCc2cccn2C)cn1 1318779772 LMSXTWYGBVPLTM-UHFFFAOYSA-N 276.300 -0.097 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1cncnc1 1324003725 KSIWTQTXJPJHCO-UHFFFAOYSA-N 281.272 -0.029 50 20 CBGD C[C@@H](NC(=O)C(C)(C)C)C(=O)NNc1cnnn1C 1324333356 HDRIVJZVQRRDMW-SSDOTTSWSA-N 268.321 -0.191 50 20 CBGD COc1ccnc(C=NNC(=O)C(=O)NC2CC2)n1 1326204415 QAVQSEVNWIUVLL-UHFFFAOYSA-N 263.257 -0.786 50 20 CBGD CC[C@H](C#N)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1329615730 LMEFAYJGOQLVIQ-SFYZADRCSA-N 273.314 -0.882 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](COC)OC 1330953517 BGVWNXQQMNVWKK-SECBINFHSA-N 289.332 -0.900 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCNC2=O)c(O)c1 1331051278 SGIAIBPHIVLUTL-VIFPVBQESA-N 277.280 -0.402 50 20 CBGD O=C(CCc1cncs1)NNC(=O)CN1CCCC1=O 1332274718 SNNZBDNPDWRHGD-UHFFFAOYSA-N 296.352 -0.155 50 20 CBGD CC(C)Cn1cc(NC(=O)C(=O)NNC(=O)CCO)cn1 1337981952 VKZNSUGDXUHOOE-UHFFFAOYSA-N 297.315 -0.993 50 20 CBGD Cn1cnc(C(=O)NNC(=S)NC(C)(C)C)cc1=O 1339054954 VZWMPCSEVZABKO-UHFFFAOYSA-N 283.357 -0.312 50 20 CBGD C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNC(=O)C(=O)OC 1339789323 UFASRBZOBDCFNV-DTWKUNHWSA-N 285.300 -0.529 50 20 CBGD Cn1cnc(C(=O)NNc2ccccc2S(N)(=O)=O)c1 1344047556 DNKBTIYROVKBNB-UHFFFAOYSA-N 295.324 -0.176 50 20 CBGD Cc1onc(CO)c1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1346482147 VKJUBAHVDKMUCS-HTRCEHHLSA-N 283.284 -0.339 50 20 CBGD Cn1ncc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c1N 1549319623 IFDLMGFKLBAMCC-QWRGUYRKSA-N 292.343 -0.684 50 20 CBGD C[C@@H](OCc1cnn[nH]1)C(=O)NNC(=O)C1CC1 1575879499 QDUKPHVUFVJPEH-ZCFIWIBFSA-N 253.262 -0.733 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1NCCc2occc21 1580570036 WTSOCVRYQTXIJR-GFCCVEGCSA-N 289.295 -0.420 50 20 CBGD C[C@H](C(=O)O)C(=O)NNC(=O)Cc1cccnc1 1588573962 PMCYUHVMEXURSP-ZETCQYMHSA-N 251.242 -0.508 50 20 CBGD C[C@H](CC(=O)O)NC(=O)NNC(=O)N=c1cc[nH]cc1 1589001570 MOICXDJMYGEEOR-SSDOTTSWSA-N 281.272 -0.298 50 20 CBGD Cc1noc(C)c1[C@H](C)NC(=O)NNC(=O)C(=O)O 1600807925 FFSARYPMNHYIIN-BYPYZUCNSA-N 270.245 -0.233 50 20 CBGD O=C(/C=C\c1ccc(C(=O)O)o1)NNC(=O)c1ncon1 1601235719 FYMNDBMXXLMQNA-RQOWECAXSA-N 292.207 -0.165 50 20 CBGD O=C(NNC(=O)C(=O)O)NOCCC(F)(F)F 1601552603 AJUJUEAMBYTXFF-UHFFFAOYSA-N 259.140 -0.715 50 20 CBGD O=C(O)CC(=O)NNC(=O)COc1ccccc1O 1601888332 XWTIMKPTPSXSEP-UHFFFAOYSA-N 268.225 -0.607 50 20 CBGD Cc1c(C(=O)NN(C)C(N)=O)cccc1-c1nn[nH]n1 1605479851 MTMWALXWKAZHIC-UHFFFAOYSA-N 275.272 -0.170 50 20 CBGD CCOC(=O)NCCC(=O)NNC(=O)NC1CC1 49150473 OSNFUPYSVTUWCB-UHFFFAOYSA-N 258.278 -0.385 50 20 CBGD CC(=O)NCCNC(=O)NNC(=O)Cc1ccccc1F 66976034 VUESQVZTFKFGGR-UHFFFAOYSA-N 296.302 -0.165 50 20 CBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cocn2)C[C@@H](C)O1 264905217 YAUYAXIISZAUQB-AOOOYVTPSA-N 296.327 -0.065 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1sccc1-n1cnnn1 276275636 PEAJJCZZYZCXHH-UHFFFAOYSA-N 296.312 -0.744 50 20 CBGD COCCN1C[C@@H](C(=O)NNc2ncncc2F)CC1=O 293965531 KAKBVVONPKEJMM-QMMMGPOBSA-N 297.290 -0.446 50 20 CBGD O=C1CCCC[C@@H](C(=O)NNC(=O)[C@H]2CCCO2)N1 294024029 UESBEFZMASYFPR-DTWKUNHWSA-N 269.301 -0.628 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1ccccn1)N1CCN(C)CC1 299693842 VLHFHHKLSDPWES-NSHDSACASA-N 291.355 -0.522 50 20 CBGD Cc1nc(CCNC(=O)c2cc(B(O)O)ccc2F)no1 584941751 ONIXAOBKEBXGOJ-UHFFFAOYSA-N 293.063 -0.831 50 20 CBGD CCO[C@H](C)CNC(=O)c1cccc(B(O)O)c1 584950622 GEJDPFJLTZHKPS-SECBINFHSA-N 251.091 -0.479 50 20 CBGD CN(CC1(O)CCC1)C(=O)c1ccc(B(O)O)c(F)c1 584975198 LHCOYUVFHUCMDL-UHFFFAOYSA-N 281.092 -0.508 50 20 CBGD CC(C)C1(O)CN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584984099 XYGMOIBMMINZPA-UHFFFAOYSA-N 281.092 -0.652 50 20 CBGD O=C(N[C@@H]1CCSC1)c1cccc(B(O)O)c1 584985945 TVZZKWPUBIBWPX-SNVBAGLBSA-N 251.116 -0.398 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@@H](C)C1O 585008946 ZDXGSRQOOROKAU-RKDXNWHRSA-N 295.119 -0.406 50 20 CBGD Cc1ccc(CS(=O)(=O)NCB(O)O)cc1C 585055574 FHJOBDBOEFILOS-UHFFFAOYSA-N 257.120 -0.265 50 20 CBGD COCCOc1ccccc1C(=O)NCB(O)O 585056231 RWRYMEBYNKBFCQ-UHFFFAOYSA-N 253.063 -0.546 50 20 CBGD CCn1c(O)nc2ccc(C(=O)NCB(O)O)cc21 585062649 LMEUHAZCGZFUER-UHFFFAOYSA-N 263.062 -0.496 50 20 CBGD COc1ccccc1C(=O)NNC(=O)C1=NNC(=O)C1 732291763 XKNJQCWRPFWIHB-UHFFFAOYSA-N 276.252 -0.668 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@H](C)COC 748635101 ZQLOGFGRIQKWHU-VHSXEESVSA-N 291.348 -0.349 50 20 CBGD NC(=O)c1c[nH]c(C(=O)NNC(=O)CC(F)(F)F)c1 749529638 LHEHFPDJWLZVDD-UHFFFAOYSA-N 278.190 -0.173 50 20 CBGD C[C@H](O)C[C@H]1CCCN1CC(=O)NNC(=O)C1CC1 752142185 LCEZHACOZIGKPM-GXSJLCMTSA-N 269.345 -0.221 50 20 CBGD C[C@H](NC(N)=O)C(=O)NN=c1cc[nH]cc1Cl 757421568 GOFPPDUYAHIXOO-YFKPBYRVSA-N 257.681 -0.343 50 20 CBGD Cn1ccnc(NC(=O)NNC(=O)CC(F)(F)F)c1=O 757906258 KCPPTTBOWPKQIZ-UHFFFAOYSA-N 293.205 -0.115 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2CCNC(=O)C2)n1 760700540 HCEGEDYRXTXHCS-QMMMGPOBSA-N 279.300 -0.237 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(OC)nc1C 764300613 UIBGRSRZOOEJLY-UHFFFAOYSA-N 296.283 -0.869 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cncc(O)c1 772115855 QXEDKIZFOGHTRD-ZETCQYMHSA-N 281.268 -0.110 50 20 CBGD CS[C@@H](C)CCC(=O)NNC(=O)C(=O)NC1CC1 773206802 HPUVXCWSDZSNPX-ZETCQYMHSA-N 273.358 -0.056 50 20 CBGD COC(=O)CNC(=O)NN=C1C(=O)N(C)c2ccccc21 779822344 CAGCCNBZCCLILR-UHFFFAOYSA-N 290.279 -0.161 50 20 CBGD C[C@@H]1CN(C)C(=O)CN1C(=O)NNC(=O)C(C)(C)C 782575792 PPCOPNGXHNMMLU-MRVPVSSYSA-N 270.333 -0.064 50 20 CBGD CCNC(=O)NNC(=O)[C@@H](O)Cc1ccccc1 793201102 IFRYZXNBBYAIDO-JTQLQIEISA-N 251.286 -0.060 50 20 CBGD CC[C@@](C)(C#N)C(=O)NNC(=O)C(=O)NC1CC1 794619788 BVXBACOTTDDLPJ-NSHDSACASA-N 252.274 -0.648 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)[C@H]1CC(C)(C)OC1=O 795711766 WWBXRAAVAROFKM-VIFPVBQESA-N 283.328 -0.430 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](O)C(C)C 796598257 CIIPASYIRNCZBS-SECBINFHSA-N 273.333 -0.545 50 20 CBGD C=CCNC(=S)NNC(=O)COC[C@@H]1CCCO1 798305303 MYEAPUZWHZGERU-VIFPVBQESA-N 273.358 -0.137 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnn[nH]1 805605336 KJEPVPQPPMTRSQ-SSDOTTSWSA-N 283.288 -0.457 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccnc2ccncc12 806772315 NVSKKCKDZIVMAZ-UHFFFAOYSA-N 273.296 -0.048 50 20 CBGD CC(C)(C)[C@H](Br)C(=O)NC[C@H](O)C(N)=O 819525841 STQRIAVKOPNFTN-NTSWFWBYSA-N 281.150 -0.242 50 20 CBGD Cc1nn(C)c(C)c1OCC(=O)NN(C)[C@@H](C)CO 823945966 BBXBOXQXOCJQBP-QMMMGPOBSA-N 270.333 -0.240 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NOCC(F)F 826663243 AYIQLJCPPVECFT-WDSKDSINSA-N 267.232 -0.062 50 20 CBGD NS(=O)(=O)N1CCC[C@@H](C(=O)NNc2ccccn2)C1 831755293 DEBQGNNMFHJOSX-SECBINFHSA-N 299.356 -0.560 50 20 CBGD COc1ccc(OCC(=O)NNC(=O)N[C@H](C)CN)cc1 841971384 OKHRGGLIVIVVEH-SECBINFHSA-N 296.327 -0.248 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cn(C)cn1 843977804 IIIJMVDODVGICX-YUMQZZPRSA-N 252.274 -0.394 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@@H]1CCCN1C 854281690 IJRAHYLSIATIJV-JTQLQIEISA-N 288.417 -0.045 50 20 CBGD C[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)N1CCN(C)CC1 854380983 BFPITYFIXLYQSM-SNVBAGLBSA-N 294.359 -0.424 50 20 CBGD CNC(=S)N(C)NC(=O)CNC(=O)Cc1ccccc1 854929460 IQSCEXIGBHMDRF-UHFFFAOYSA-N 294.380 -0.187 50 20 CBGD C[C@@H](Cc1ccco1)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858134613 FDWGIDZNLXIIJG-WPRPVWTQSA-N 294.311 -0.180 50 20 CBGD COC1CC(C(=O)NNC(=O)N2CCOCC2)C1 858905554 DEJCFGQNMZGUAN-UHFFFAOYSA-N 257.290 -0.516 50 20 CBGD CC(=O)NC[C@@H]1CCCCN1CC(=O)NNC(=O)C(C)C 860179813 GCHLPAQXPFJPED-LBPRGKRZSA-N 298.387 -0.220 50 20 CBGD C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)C(C)(C)O)[C@H]1C 861205835 LSSITHUFDQEXRR-MAUMQABQSA-N 258.318 -0.036 50 20 CBGD O=C1N[C@@H](C(=O)NNc2nc3ccccn3n2)CCO1 861295519 RFBLFFPKDMPLHW-SSDOTTSWSA-N 276.256 -0.329 50 20 CBGD COC1(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCC1 862459195 OUYSLLGMZVYXMA-QMMMGPOBSA-N 269.301 -0.628 50 20 CBGD O=C(NO[C@@H]1CCCCO1)c1cccc(B(O)O)c1 863872316 QTNAYVMAYHEBKI-LLVKDONJSA-N 265.074 -0.446 50 20 CBGD C=CCNC(=S)NNC(=O)/C=C\CN1CCOCC1 864455275 LNXNCYJSVNQSLE-ARJAWSKDSA-N 284.385 -0.444 50 20 CBGD CCOCC(=O)NN=Cc1cn(C[C@H]2CCCO2)nn1 872350436 SCFHPSVFNYVGSX-LLVKDONJSA-N 281.316 -0.056 50 20 CBGD CCCCS(=O)(=O)NCC(=O)NN(C)C[C@H](C)O 910154792 GMAYKTVGLUXLJX-VIFPVBQESA-N 281.378 -0.950 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccc2c(c1)NC(=O)CO2 910179489 WVXKGULMHNUUAI-QMMMGPOBSA-N 279.296 -0.025 50 20 CBGD Cc1cccc(OCC(=O)NNC(=O)c2n[nH]c(O)n2)c1 918280371 KFAMCKOZBDXELX-UHFFFAOYSA-N 291.267 -0.341 50 20 CBGD CCCS(=O)(=O)CC(=O)NNC(=O)CC(F)(F)F 919816694 DXFBZSGAEAWFSD-UHFFFAOYSA-N 290.263 -0.089 50 20 CBGD CN1C[C@@H](NC(=O)/C(C#N)=C\c2cnn(C)c2)CC1=O 1123990325 LXSIUMBIQLYXSW-CGXZDELUSA-N 273.296 -0.326 50 20 CBGD CC(C)NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cn1 1142671002 WZEBUNLLQTUQHV-UHFFFAOYSA-N 290.287 -0.386 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1nc(C)cs1 1256409339 QGTVTMWHQHSDQS-UHFFFAOYSA-N 286.313 -0.426 50 20 CBGD COC(=O)c1csc(NC(=O)C(=O)NNC(C)=O)c1 1320224662 SUOJJWGJEZMGBC-UHFFFAOYSA-N 285.281 -0.360 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cn(CC2(C)COC2)nn1 1320462873 KOJIJQFFIFBKPU-UHFFFAOYSA-N 296.331 -0.379 50 20 CBGD Cc1nn[nH]c1C(=O)NNC(=O)NCC(F)(F)F 1325107763 LUMMVBKRBZKHCL-UHFFFAOYSA-N 266.183 -0.381 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CSC[C@@H]1C 1326902893 VCBMMICJFGJYDP-NTSWFWBYSA-N 261.303 -0.759 50 20 CBGD COc1ccnc(NNC(=O)c2ccoc2CC(N)=O)n1 1327854344 DCWQZYGTSOGADO-UHFFFAOYSA-N 291.267 -0.137 50 20 CBGD C[C@H](NC(=O)NNC(=O)C(C)(C)C)c1nnnn1C 1341268235 CAARTMXNANMQDD-LURJTMIESA-N 269.309 -0.352 50 20 CBGD COCCOCC(=O)NNC(=O)C1CCN(C2CC2)CC1 1348741340 JYCACIQUDMOWPZ-UHFFFAOYSA-N 299.371 -0.329 50 20 CBGD O=C(NNC(=O)[C@@]1(C(=O)O)CCCO1)NC1CC1 1594782987 QFJGRMIYKSLYRQ-SNVBAGLBSA-N 257.246 -0.887 50 20 CBGD O=C(O)C[C@H](CNC(=O)c1cccc(B(O)O)c1)C1CC1 1601894703 OUKKVAAYEVAOCK-LLVKDONJSA-N 291.112 -0.403 50 20 CBGD Cc1cc(CC(=O)NNC(=O)c2c[nH]c(C(=O)O)c2)n[nH]1 1607636471 PWRGNDLOCZYUEB-UHFFFAOYSA-N 291.267 -0.252 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cncc(C(=O)O)c2)cn1 1610600539 XHVWHCWRBKRMNX-UHFFFAOYSA-N 289.251 -0.412 50 20 CBGD Cc1cc(C)cc(NNC(=O)C(=O)NCC(=O)N(C)C)c1 131771085 VKQDIHUPFXYBAO-UHFFFAOYSA-N 292.339 -0.049 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCC(=O)N2)cc1 270370465 VBNKKQNKXLJHHW-NSHDSACASA-N 286.291 -0.012 50 20 CBGD CSCC[C@@H](N)C(=O)NNC(=O)c1ccccn1 272394504 YLURLQTWEHPGMF-MRVPVSSYSA-N 268.342 -0.077 50 20 CBGD CCN1CCN(CC(=O)NNc2ccncc2)C(=O)C1=O 272508201 FQZRLXALTXWUMK-UHFFFAOYSA-N 291.311 -0.785 50 20 CBGD COC(=O)NNC(=O)[C@H](C)NC(=O)c1ccoc1 274169893 AXACYBVILVILIV-LURJTMIESA-N 255.230 -0.215 50 20 CBGD C=CCCO[C@@H](C)C(=O)NNC(=O)N1CCN(C)CC1 278689131 RBFRCAOFIMQIBW-NSHDSACASA-N 284.360 -0.044 50 20 CBGD CC(C)CC(=O)NNC(=O)CCN1C(=O)CCC1=O 298140436 HTDGPEYIHRCYBS-UHFFFAOYSA-N 269.301 -0.281 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 490811648 GPACQNIEAFRJFI-FUOZMLNRSA-N 278.268 -0.807 50 20 CBGD COC(=O)NNC(=O)COCCNC(=O)c1ccccc1 495367074 MOQWCBRNRFKPKH-UHFFFAOYSA-N 295.295 -0.180 50 20 CBGD CN1CCC[C@@H](N(C)C(=O)c2cc(B(O)O)ccc2F)C1 584952769 WRJJXCOIMNVUCW-LLVKDONJSA-N 294.135 -0.328 50 20 CBGD C=CC[C@@H](CO)CNC(=O)c1ccc(B(O)O)cc1 584969027 ABWSFTWXLFFSFL-SNVBAGLBSA-N 263.102 -0.719 50 20 CBGD C[C@H]1CN(C)CC[C@@H]1NCc1ccccc1B(O)O 585022145 JVLUORNRUGLOSG-FZMZJTMJSA-N 262.162 -0.204 50 20 CBGD C[C@H](NCc1ccccc1B(O)O)[C@H]1CN(C)CCO1 585028888 SHTYZYHGGRFJDG-SMDDNHRTSA-N 278.161 -0.825 50 20 CBGD CN1CCN(CCCNCc2cccc(B(O)O)c2)CC1 585032799 MIGZUVWMFPQSTE-UHFFFAOYSA-N 291.204 -0.907 50 20 CBGD CCn1nc(C)c(CNCc2ccc(B(O)O)cc2F)n1 585047376 BFHVRIGRHGLPHE-UHFFFAOYSA-N 292.123 -0.285 50 20 CBGD O=C1NCC[C@]1(C(=O)N1CC[C@@H](B(O)O)C1)C1CCCC1 585065463 DHQHHQHHOSVJTG-RISCZKNCSA-N 294.160 -0.242 50 20 CBGD Cn1ccc(S(=O)(=O)NNC(=O)NCC2CC2)n1 727362282 PSUHMKYSRYCWBX-UHFFFAOYSA-N 273.318 -0.677 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc2c(c1)COC2 727719525 COTRHXGZHVIQNX-UHFFFAOYSA-N 271.298 -0.161 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CCS(C)(=O)=O 728204202 YJBJRBOJVHHFJO-UHFFFAOYSA-N 273.314 -0.779 50 20 CBGD CCOCCNC(=S)NNC(=O)c1cnn(C)c1 735417300 UTHVVJRRUWHLMR-UHFFFAOYSA-N 271.346 -0.435 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)c2cnn(C)c2)C1 735473334 SQNJJFUCLRFNHT-MRVPVSSYSA-N 251.290 -0.867 50 20 CBGD CN1CCCC[C@H]1C(=O)NNC(=O)N1CCOCC1 737819861 VLXRRSJEMDWEBU-JTQLQIEISA-N 270.333 -0.456 50 20 CBGD O=C(NCCOC1CCC1)NNC(=O)C(=O)NC1CC1 745907671 GGNOMDYWUPKHDI-UHFFFAOYSA-N 284.316 -0.836 50 20 CBGD C=CCCOCC(=O)NNc1nccn(C)c1=O 747942606 YJVYWEWBHFXYOF-UHFFFAOYSA-N 252.274 -0.184 50 20 CBGD COCCCNC(=O)NNS(=O)(=O)CCOC(C)C 749011999 OQAGXZWJCPMHRC-UHFFFAOYSA-N 297.377 -0.419 50 20 CBGD Cn1cnc(S(=O)(=O)NNC(=O)C2CCCC2)c1 751268645 AXIQHGLGXLDGCX-UHFFFAOYSA-N 272.330 -0.080 50 20 CBGD CCO/C=C(\C#N)C(=O)N(CCO)CCN1CCOCC1 757108270 XFUYHOMBNLWVIO-OUKQBFOZSA-N 297.355 -0.417 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1cccc(Cl)c1F 764428647 KFEGPHUGMTYYRU-UHFFFAOYSA-N 289.650 -0.443 50 20 CBGD CC(C)C(=O)N1CCCC[C@@H]1C(=O)NNC(=O)C(C)(C)O 768260545 DYSXKEASGMDKIP-SNVBAGLBSA-N 299.371 -0.058 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CN(CCO)CCO)c1 777577187 DHNFOEWOKHNJJE-UHFFFAOYSA-N 295.339 -0.957 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1cnco1 778443251 NMXXEFDMGLSBFX-UHFFFAOYSA-N 284.272 -0.040 50 20 CBGD Cc1n[nH]cc1-c1nnc(NC(=O)NNC(=O)CO)s1 782092521 FYPQBNVTHUVSSZ-UHFFFAOYSA-N 297.300 -0.618 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](OC)C1CC1 795827614 GHXVMYZVPRHUAI-GMSGAONNSA-N 272.301 -0.100 50 20 CBGD CCOCC1(C(=O)NNC(=O)Cc2cc[nH]n2)CC1 799617699 URYVNRYKZAUJQU-UHFFFAOYSA-N 266.301 -0.084 50 20 CBGD CCn1nc(C)c(C(=O)NNC(=O)C(C)(C)O)n1 816360624 ZFFVBTUXYJGFCG-UHFFFAOYSA-N 255.278 -0.862 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@H](CO)OC(C)(C)C1 817279576 QHDZAVDSIPUGBC-SNVBAGLBSA-N 287.360 -0.739 50 20 CBGD CN(NC(=O)CCn1cc[nH]c(=O)c1=O)C1CC1 819647884 SUTAYELBMJGZAB-UHFFFAOYSA-N 252.274 -0.948 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCCc2nn[nH]c21 826754667 OIMLZXSILQVLBW-SSDOTTSWSA-N 289.299 -0.283 50 20 CBGD O=C(NNc1ncccn1)NC1CN(C(=O)O)C1 831742787 RBGDLIMTKHYXEM-UHFFFAOYSA-N 252.234 -0.535 50 20 CBGD COCC1(CC(=O)NNC(=O)C(=O)NC2CC2)CC1 843756386 YEVUYUGXFBVYHU-UHFFFAOYSA-N 269.301 -0.771 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCc2ncncc2C1 843866046 WFDWESAYUWMZSJ-QMMMGPOBSA-N 278.312 -0.500 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1 843981009 ZKNHMVNSINXYAV-DCAQKATOSA-N 285.344 -0.721 50 20 CBGD CN(C)CCn1ccc(C(=O)NNC(=O)c2cc[nH]n2)n1 855354673 HWGNCQGLJZHNHQ-UHFFFAOYSA-N 291.315 -0.757 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=O)c1cccc(F)n1 856422397 VNCFRJRFJDPYLC-UHFFFAOYSA-N 284.247 -0.320 50 20 CBGD CN1C(=O)CN(CC(=O)NNc2ncncc2Cl)C1=O 861182124 HVERJWXVAATUMN-UHFFFAOYSA-N 298.690 -0.533 50 20 CBGD C[C@@](O)(C(=O)NNC(=O)c1cn[nH]c1)C1CCC1 862470635 UBDCLLXRJXUAHP-NSHDSACASA-N 252.274 -0.278 50 20 CBGD O=C1CC[C@H](C(=O)NN=C2CCCn3nccc32)N1 863151353 LCZMEULQOIFGOM-SECBINFHSA-N 261.285 -0.224 50 20 CBGD O=C(NOCC1CC1)c1cc(B(O)O)ccc1F 863883929 RXGSDDJEZUSMIA-UHFFFAOYSA-N 253.038 -0.423 50 20 CBGD O=C(NNC(=O)[C@H]1CCCNC1=O)c1ccccc1 864412105 IKWHXFSHVYMPML-JTQLQIEISA-N 261.281 -0.026 50 20 CBGD CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)CN1CCCC1=O 913732398 VBCYKKJLIYARBW-JTQLQIEISA-N 298.387 -0.077 50 20 CBGD CCOCCO[C@H](C)C(=O)NNC(=O)C(=O)NC(C)C 918147399 JCFUPHDDNVHLQV-SECBINFHSA-N 289.332 -0.900 50 20 CBGD COCCCNC(=O)NNC(=O)c1csc(O)n1 1256293732 PDPIYSGOEXIBGQ-UHFFFAOYSA-N 274.302 -0.171 50 20 CBGD O=C(NCCC(=O)N1CC[C@@H](B(O)O)C1)c1ccco1 1261844554 SDDFDALNILOSNX-SECBINFHSA-N 280.089 -0.525 50 20 CBGD CCC(=O)N[C@@H](CCSC)C(=O)NNC(C)=O 1324411608 KTCBAFGGJBFEEL-QMMMGPOBSA-N 261.347 -0.198 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)CNC(=O)c2ccco2)C1 1326674757 GVHGAGBZIPFIHS-MRVPVSSYSA-N 293.279 -0.474 50 20 CBGD Cc1csc(=O)n1CCC(=O)N1CC[C@H](B(O)O)C1 1330262965 WPUIRJSSJUYZLR-VIFPVBQESA-N 284.146 -0.316 50 20 CBGD O=C(NNC(=O)C1CCOCC1)c1ccnnc1 1333148471 BZJPIRGBLCWRJM-UHFFFAOYSA-N 250.258 -0.336 50 20 CBGD Cn1nncc1NNC(=O)COCc1ccccn1 1334309005 QZRWHLDOXVKPDM-UHFFFAOYSA-N 262.273 -0.130 50 20 CBGD CCOc1ccc(C(=O)NNC(=O)C(N)=O)cc1OC 1335962500 PXJCRPWTFWQRSQ-UHFFFAOYSA-N 281.268 -0.660 50 20 CBGD CN(C)N(C(=O)[C@]1(F)CCOC1)[C@H]1CCS(=O)(=O)C1 1342849066 ARASERAGHOQMNE-ONGXEEELSA-N 294.348 -0.393 50 20 CBGD NC(=O)Cc1occc1C(=O)NN=c1cc[nH]cc1 1345434658 ZRTDLHYSAABDQO-UHFFFAOYSA-N 260.253 -0.119 50 20 CBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)NC1CCCC1 1345809861 ALUQIJICLTUXBJ-ZYHUDNBSSA-N 295.387 -0.352 50 20 CBGD CCOC(=O)[C@@H](N[C@@H](C)C(=O)NNC(=O)CC)C1CC1 1346125512 CGGKWPXWDGZHGM-KWQFWETISA-N 285.344 -0.136 50 20 CBGD CC(C)(CC(=O)O)CC(=O)NNC(=O)Cc1cc[nH]n1 1590635028 BTMYHYLWKCLOBN-UHFFFAOYSA-N 282.300 -0.009 50 20 CBGD CCO/C=C(/C#N)C(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1 1591764833 CLTJCQNDADHFEZ-MMJGMSOZSA-N 280.280 -0.010 50 20 CBGD O=C(NNC(=O)c1cc(-c2nn[nH]n2)ccn1)c1cn[nH]c1 1593157465 MVGQWQNSFOEEOW-UHFFFAOYSA-N 299.254 -0.940 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CC[C@H]1C(=O)O 1594643981 KJJHKMRNLZGODR-LURQLKTLSA-N 270.285 -0.330 50 20 CBGD COCC[C@@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)O 1599212835 IXWQGWVDSRUIAY-IGLBNKAOSA-N 292.295 -0.067 50 20 CBGD N#Cc1ccc(NNC(=O)Cn2cc(C(=O)O)cn2)nc1 1601107909 QMVKOMMNXOAUQV-UHFFFAOYSA-N 286.251 -0.009 50 20 CBGD O=C1C[C@@H](C(=O)NNc2ccc(C(=O)O)c(F)c2)N1 1602631247 IRHUIAVFGFZRFE-QMMMGPOBSA-N 267.216 -0.145 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H](C(=O)O)C1CC1 1605708541 FUVBNYHRWWOUID-VIFPVBQESA-N 266.257 -0.790 50 20 CBGD Cn1ncc(C(=O)O)c1C=NNC(=O)c1cnsn1 1776105018 LHQHJCGAPAWHSR-UHFFFAOYSA-N 280.269 -0.266 50 20 CBGD CC(C)c1cc(C(=O)NNC(=O)CN(C)C)nn1C 175340435 HWQTUCHEUUMPOL-UHFFFAOYSA-N 267.333 -0.134 50 20 CBGD COC(=O)N(C)NC(=O)C(C)(C)NS(C)(=O)=O 286562529 ZTUDHDNEKKTIFD-UHFFFAOYSA-N 267.307 -0.956 50 20 CBGD COc1ncncc1NC(=O)NNC(=O)[C@@H]1CCCO1 292839755 USWANMQYJNSDKF-QMMMGPOBSA-N 281.272 -0.183 50 20 CBGD O=C(NNC(=O)[C@H]1CCCO1)c1cnc(O)c([N+](=O)[O-])c1 294106549 YOFSKLXAGTVZFI-MRVPVSSYSA-N 296.239 -0.365 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)c1ccc[nH]1 371427217 UPKIOFJVDLHSCV-SNVBAGLBSA-N 266.301 -0.504 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 490783750 UKDJUNZQLOPFIK-HSTULFTRSA-N 287.341 -0.290 50 20 CBGD COC(=O)NNC(=O)[C@@H]1CCc2cnn(C)c2C1 496194701 IOQUZMJKXDQTHV-SSDOTTSWSA-N 252.274 -0.088 50 20 CBGD COC(=O)NNS(=O)(=O)N1CCC(C)CC1 496640759 DAPQYULYBJZMAR-UHFFFAOYSA-N 251.308 -0.176 50 20 CBGD CN(C[C@@H]1CCCC[C@@H]1O)C(=O)c1ccc(B(O)O)cc1 584972026 KZDMXOJYZSGCOW-JSGCOSHPSA-N 291.156 -0.011 50 20 CBGD CC1(C)C[C@@]1(C#N)NC(=O)c1cc(B(O)O)ccc1F 584990986 PWCKGMXUOKICEZ-ZDUSSCGKSA-N 276.076 -0.072 50 20 CBGD OCCC1(CNCc2ccc(B(O)O)cc2F)CC1 585036415 HGCALEMDALXKJH-UHFFFAOYSA-N 267.109 -0.242 50 20 CBGD C[S@@](=O)C1(CNCc2ccc(B(O)O)cc2F)CCC1 585038774 GNZUALOQUCIHAC-HXUWFJFHSA-N 299.176 -0.104 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc(F)c(F)c1F 585054103 ICLJVLSVPUKIGB-UHFFFAOYSA-N 269.009 -0.606 50 20 CBGD O=C(Cc1ccc(OC(F)F)cc1)NCB(O)O 585057934 OKNLCXZWBQJIOC-UHFFFAOYSA-N 259.017 -0.041 50 20 CBGD CC(C)[C@@H](C(=O)N1CC[C@@H](B(O)O)C1)N1CCCC1=O 585072880 SOSLNNGQNQWZAJ-PWSUYJOCSA-N 282.149 -0.291 50 20 CBGD Cc1ccnc2nc(C(=O)NNC(=O)C3CCC3)nn12 732141859 XSIDSRPXJIRUNP-UHFFFAOYSA-N 274.284 -0.006 50 20 CBGD CC(=O)N1CC[C@](C)(C(=O)NNC(=O)C2CC2)C1 746815807 FRHCOMUKTFDIOY-LBPRGKRZSA-N 253.302 -0.198 50 20 CBGD C[C@@H]1OCCC1=NNC(=O)C(=O)NN=C1CCO[C@@H]1C 747736911 SISVWMNKRFKZOU-OCAPTIKFSA-N 282.300 -0.452 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCN2C(N)=O)o1 752780082 ZKRWSXPHCHQLLA-QMMMGPOBSA-N 280.284 -0.108 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cc([N+](=O)[O-])cnc1N 758439955 ALTRWEFFLYGILC-UHFFFAOYSA-N 282.260 -0.122 50 20 CBGD Cc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)CO 764421539 LKVJMIPFMCCZEG-UHFFFAOYSA-N 285.687 -0.273 50 20 CBGD CN(C)C(=O)NNC(=O)CNC(=O)Cc1ccc(O)cc1 765421628 PMCSXGPSCVYRKQ-UHFFFAOYSA-N 294.311 -0.647 50 20 CBGD CCN1C[C@H](C)N(CC(=O)NNC(=O)C2CC2)C[C@@H]1C 766252533 HFYDTKODBKGKEJ-QWRGUYRKSA-N 282.388 -0.042 50 20 CBGD CCc1c(C(=O)NNC(=O)C(C)(C)O)cnn1C 768244842 PAAYKIOQPOTVQL-UHFFFAOYSA-N 254.290 -0.486 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)CCc1cnccn1 771461097 NYXPNWVXFFTXMB-JTQLQIEISA-N 279.344 -0.103 50 20 CBGD COC(=O)Cn1cc(C(C)=NNC(=O)NC(C)C)nn1 772841169 SEZVCRNLDWGTOZ-UHFFFAOYSA-N 282.304 -0.117 50 20 CBGD C[C@@H](NC(=O)NNc1ncncc1F)[C@H]1CN(C)CCO1 814313583 CROJGIXTPVEOSY-PSASIEDQSA-N 298.322 -0.039 50 20 CBGD COCC(=O)NN[C@H](C(=O)O)c1ccc(C#N)cc1 831541330 UUAGVOSURUOSTN-NSHDSACASA-N 263.253 -0.049 50 20 CBGD C[C@H](C(=O)NNC(=O)CN(C)C)C(=O)OC(C)(C)C 840857418 LQUYYYLUSJTNHX-MRVPVSSYSA-N 273.333 -0.327 50 20 CBGD CC(C)C(=O)NNC(=O)Cn1nnc2c1CCCC2 847289000 GVEJIVMJBBLHLU-UHFFFAOYSA-N 265.317 -0.040 50 20 CBGD CNC(=S)N(C)NC(=O)C(=O)N1CCC[C@@H](C)C1 854922199 ANVRQGBQRWUANF-MRVPVSSYSA-N 272.374 -0.288 50 20 CBGD CNC(=S)N(C)NC(=O)CCCNC(=O)OC 854923605 BOMNRBSTAYQKOY-UHFFFAOYSA-N 262.335 -0.410 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@@H]1CCC(=O)N1C 855005106 BMRNKMWXDSBESN-LPEHRKFASA-N 283.328 -0.430 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@@H]1CCCN1C=O)C1CC1 855095290 KKLZBKYENHXJHY-WPRPVWTQSA-N 284.385 -0.099 50 20 CBGD CN(Cc1cccn1C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858697504 UBSLGIKVHWRANB-SNVBAGLBSA-N 293.327 -0.524 50 20 CBGD Cc1cc(=NNC(=O)[C@H]2CCCS2(=O)=O)cc[nH]1 862515620 YCNBSSJSZLECEW-SNVBAGLBSA-N 269.326 -0.168 50 20 CBGD Cc1cnc(C(=O)NNC(=O)CS(C)(=O)=O)c(C)c1 863464114 HGLCTQMFWDHISW-UHFFFAOYSA-N 285.325 -0.496 50 20 CBGD COC(=O)[C@@H](C)CN(C)C(=O)c1cccc(B(O)O)c1 863872835 MZTUHBDBIDXVNW-VIFPVBQESA-N 279.101 -0.753 50 20 CBGD CC[C@H](OC)C(=O)NNC(=O)Cc1cc(C)[nH]n1 869012624 YLBPZMHLYOJUMR-VIFPVBQESA-N 254.290 -0.167 50 20 CBGD COCCOCC(=O)NNC(=O)Cc1ccco1 869908572 QMDUKNPDNCWXLD-UHFFFAOYSA-N 256.258 -0.368 50 20 CBGD C[C@H]1CCC(=O)CN1C(=O)c1cccc(B(O)O)c1 885071961 OOMXPADKMGYLSH-VIFPVBQESA-N 261.086 -0.440 50 20 CBGD COc1cccc(NNC(=O)c2cn(C)c(=O)n2C)n1 907259790 ZZSXMKBQAXWSTI-UHFFFAOYSA-N 277.284 -0.116 50 20 CBGD CC[C@H](O)[C@@H](C)C(=O)NNC(=O)N1CCN(C)CC1 908054689 ZRYZFXYKHNUPBB-ZJUUUORDSA-N 272.349 -0.618 50 20 CBGD CCC[C@H](O)CC(=O)NNC(=O)CN1CCCC1=O 913731415 HVTQIFISQFQAAY-VIFPVBQESA-N 271.317 -0.693 50 20 CBGD NNC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 914751957 QMLJRDLJQUTFRW-UHFFFAOYSA-N 292.320 -0.092 50 20 CBGD CC(=O)NNC(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1 919405730 XXZWXEVXIHOETK-LBPRGKRZSA-N 277.280 -0.032 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H]2CCN(C)C[C@@H]2C1 931438178 OYZRHUOPYGUCSG-SDDRHHMPSA-N 282.388 -0.184 50 20 CBGD COc1ncccc1NC(=O)NNC(=O)C(=O)NC1CC1 1115875020 GTLXYXJMDVXLHS-UHFFFAOYSA-N 293.283 -0.479 50 20 CBGD O=C(NNC(=O)[C@H]1CC12CCOCC2)C(=O)NC1CC1 1116207802 UEOQVODCXPZBIK-SECBINFHSA-N 281.312 -0.771 50 20 CBGD O=C(NNc1nc2ccccn2n1)c1n[nH]c(O)n1 1116769550 ODMUTTQXCZREPW-UHFFFAOYSA-N 260.217 -0.690 50 20 CBGD Cc1nc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)nn1C 1117711890 PBHCNAFLXWFGHZ-UHFFFAOYSA-N 296.331 -0.354 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1ncc(Cl)s1 1118895315 OKUHIWPXZWLWPJ-UHFFFAOYSA-N 297.745 -0.398 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@H]1CCS(=O)(=O)C1 1253374200 GYCSXOHHCNZXMZ-XZLDQRQTSA-N 258.299 -0.266 50 20 CBGD CN(NC(=O)c1ccc2nnc(O)n2c1)C(N)=O 1254448177 NWDZQFZOUPSLIF-UHFFFAOYSA-N 250.218 -0.910 50 20 CBGD Cc1nn(C)cc1CCC(=O)NNC(=O)c1cn[nH]c1 1261830131 LIUWIYGMQQOIHY-UHFFFAOYSA-N 276.300 -0.155 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CCCN(C(N)=O)C1 1320287627 BGFRUGQBHLTVBO-QMMMGPOBSA-N 271.321 -0.530 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@H](CCOC)C(N)=O 1320637303 MAFWCAHVIUGMAF-UFGYOYAJSA-N 255.274 -0.563 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnn(C)c1C(F)(F)F 1322403804 JJABQEQVYSFNNL-UHFFFAOYSA-N 293.249 -0.239 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)Nc1ccccn1 1323351032 XUKNQYAZRGHKKW-BDAKNGLRSA-N 292.295 -0.408 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@@H]1CCc2nnn(C)c2C1 1324305958 NYCPNVMAHGRAOZ-MRVPVSSYSA-N 280.332 -0.341 50 20 CBGD Cn1nnc2c(C(=O)NNC(=O)NC3CC3)ccnc21 1325219080 XVQDFDFZVNRLCP-UHFFFAOYSA-N 275.272 -0.530 50 20 CBGD O=C(NCC1CC1)C(=O)NNC(=O)c1ccc[nH]1 1326201289 NNWZGEDROQBMII-UHFFFAOYSA-N 250.258 -0.698 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](C)C(=O)N(C)C 1326279131 JUUQLLULADPXEP-VGMNWLOBSA-N 286.332 -0.782 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](C)[C@H](C(=O)O)C1 1326502544 XIPZGOWKNWCBRH-KXUCPTDWSA-N 285.344 -0.025 50 20 CBGD Cn1nnc2c1C[C@@H](C(=O)NNC(=O)CC1CC1)CC2 1327914260 UFQMKFLWLNEWEK-VIFPVBQESA-N 277.328 -0.133 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)C#CCOC 1328369306 OTWZHRVZQBTCSM-UHFFFAOYSA-N 272.301 -0.427 50 20 CBGD CN(C)C(=O)CCCC(=O)N1CC[C@H](B(O)O)C1 1331897813 ZNDLFBVAIYGUIW-VIFPVBQESA-N 256.111 -0.680 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)C2CC(F)(F)C2)N1 1335329976 PSBXVBSPZTXZSG-ZCFIWIBFSA-N 261.228 -0.542 50 20 CBGD CN(C)c1nccc(NNC(=O)c2cccc[n+]2[O-])n1 1339379174 RPEQEPXILGATBZ-UHFFFAOYSA-N 274.284 -0.067 50 20 CBGD Cn1cc(C(=O)NNC(=O)Cn2cc(C3CC3)nn2)cn1 1340379169 JYGDEWGUKSZPIG-UHFFFAOYSA-N 289.299 -0.650 50 20 CBGD C#Cc1cccc(NC(=O)C(=O)NNC(=O)CCO)c1 1342608304 UBOPBXGCIWWQPQ-UHFFFAOYSA-N 275.264 -0.864 50 20 CBGD CC(=O)CCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1348390151 YSNKIBRWXNTMRS-QMMMGPOBSA-N 255.274 -0.828 50 20 CBGD C[C@@H](NC(=O)NNc1cccnn1)c1nnnn1C 1357696403 IIGMHKUFNRPMIS-ZCFIWIBFSA-N 263.265 -0.613 50 20 CBGD O=C(NNC(=O)C1CCNCC1)c1cccc(F)n1 1574334741 VXBGNWOETGOBKA-UHFFFAOYSA-N 266.276 -0.019 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H](CN)C1CC1 1579053779 SMPZWACEXNTRTA-WCBMZHEXSA-N 288.348 -0.894 50 20 CBGD Cc1noc(CCCC(=O)NNC(=O)[C@@H]2CCN2)n1 1579920920 JOESICWBYAYVBW-QMMMGPOBSA-N 267.289 -0.790 50 20 CBGD Cn1cnc(CNC(=O)NNC(=O)C2CCNCC2)c1 1579982723 QMYPPWNZUPKBMM-UHFFFAOYSA-N 280.332 -0.750 50 20 CBGD N#C[C@@H]1CNCC12CC(C(=O)NNC(=O)C1CC1)C2 1580043627 OMUFWCJMAIDUQZ-RUETXSTFSA-N 262.313 -0.317 50 20 CBGD CO[C@](C)(C(=O)O)C(=O)NNC(=O)CC(F)(F)F 1593926417 IDHLIVZRBRFAPP-ZETCQYMHSA-N 272.179 -0.424 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCCC1(F)F 1601553001 QOIOYMBRIYXXDY-SCSAIBSYSA-N 251.189 -0.411 50 20 CBGD O=C1CC[C@@H](C(=O)NN=Cc2cc(C(=O)O)ccc2O)N1 1602637968 JOFUZGJUQTZHAC-VIFPVBQESA-N 291.263 -0.181 50 20 CBGD O=C(O)CN(C(=O)c1cc(B(O)O)ccc1F)C1CC1 1608743499 FNSHOOBJLGWIKP-UHFFFAOYSA-N 281.048 -0.805 50 20 CBGD CC(C)CC(=O)NNC(=O)NCCn1cc(C(=O)O)nn1 1609690534 GRVFTYPMFZFTOF-UHFFFAOYSA-N 298.303 -0.647 50 20 CBGD CCOCC(=O)NNC(=O)Nc1ccc(C(=O)O)nn1 1610036671 ZUHMNZZNWOKVMO-UHFFFAOYSA-N 283.244 -0.636 50 20 CBGD Cc1cc(CC(=O)NN=Cc2cc(C(=O)O)nn2C)n[nH]1 1776028497 CFSHXRDCLZNGPJ-UHFFFAOYSA-N 290.283 -0.157 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@H]2COCCO2)n1 30683668 AYVBBNPUHZYPPJ-SECBINFHSA-N 252.274 -0.048 50 20 CBGD Cc1occc1C(=O)NCC(=O)NNC(=O)CN(C)C 113426147 JIQGBZFXJCVREN-UHFFFAOYSA-N 282.300 -0.973 50 20 CBGD COCCN1CC[C@@H](NC(=O)NNc2cccnn2)C1 265603363 MDHUHEJYOREGBC-SNVBAGLBSA-N 280.332 -0.177 50 20 CBGD CC(C)(NS(C)(=O)=O)C(=O)NNC(=O)c1ccccc1 266047887 QWNFSKRKZLVMOI-UHFFFAOYSA-N 299.352 -0.225 50 20 CBGD CC[C@@H](SC)C(=O)NNC(=O)C(=O)NC(C)C 269506518 SIKBRUJHKBGDJK-SSDOTTSWSA-N 261.347 -0.200 50 20 CBGD CC(=O)NNC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O 277121341 NTUJSJKQWIBOHN-CQSZACIVSA-N 291.307 -0.439 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CC[C@@H]1C(=O)OC 285710879 DTPXBSPLFXQGJW-YUMQZZPRSA-N 257.290 -0.122 50 20 CBGD O=C(NCC(Cl)Cl)C1=NN(CCO)C(=O)CC1 294531017 VEIIZNCHNUKILV-UHFFFAOYSA-N 282.127 -0.123 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CCN1C(=O)CCC1=O 298789178 CWBIIOWQVYLUCK-UHFFFAOYSA-N 269.301 -0.281 50 20 CBGD CC(C)N(C)CCCNC(=O)c1cc(B(O)O)ccc1F 584929225 PFHAVIGBTYDXRG-UHFFFAOYSA-N 296.151 -0.034 50 20 CBGD COC[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)C1CC1 584964194 DPTBDRYJWVQSJQ-GFCCVEGCSA-N 281.092 -0.340 50 20 CBGD C[C@@H]1COCC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584983274 PVXKLFWXTAYUKI-PRHODGIISA-N 281.092 -0.340 50 20 CBGD CC1(C)C[C@@]1(C#N)NC(=O)c1ccc(B(O)O)c(F)c1 584990697 HWANRNBORUCXIC-ZDUSSCGKSA-N 276.076 -0.072 50 20 CBGD O=C(NCCC1(O)CCC1)c1ccc(B(O)O)c(F)c1 584994397 OAOVUVWDFNQRDZ-UHFFFAOYSA-N 281.092 -0.460 50 20 CBGD O=C(N[C@@H]1CC12CCOCC2)c1ccc(B(O)O)cc1 584997369 FHDQBHHHHWKWRO-GFCCVEGCSA-N 275.113 -0.335 50 20 CBGD OB(O)c1ccc(CNC[C@@H](O)COCC2CC2)cc1 585020298 RRJWWZQEVZBBRU-CQSZACIVSA-N 279.145 -0.757 50 20 CBGD OB(O)c1cccc(CNCCCn2cncn2)c1 585022385 YILBZAOQAMWAAA-UHFFFAOYSA-N 260.106 -0.862 50 20 CBGD C[C@@H]1C[C@@H](NCc2cccc(B(O)O)c2)CCN1C 585026598 IGJBMLRIGVTYJD-RISCZKNCSA-N 262.162 -0.061 50 20 CBGD C[S@@](=O)CCCNCc1ccccc1B(O)O 585029738 STEHKNIMQYXLMP-QGZVFWFLSA-N 255.148 -0.775 50 20 CBGD CSCC[C@@H](CO)NCc1ccc(B(O)O)cc1F 585030635 WKZAVFFMEUOYFP-NSHDSACASA-N 287.165 -0.291 50 20 CBGD OCC[C@@H](NCc1ccc(B(O)O)cc1)C1CCOCC1 585036279 HAYRGAYTZUKYJJ-OAHLLOKOSA-N 293.172 -0.366 50 20 CBGD O=C(NCB(O)O)c1cc(Br)cnc1F 585062253 DXCJBKAPQSBNSR-UHFFFAOYSA-N 276.858 -0.275 50 20 CBGD O=C(NCB(O)O)c1cn(-c2cccc(Cl)c2F)nn1 585062643 LEVUTGNTMMYBGU-UHFFFAOYSA-N 298.470 -0.198 50 20 CBGD O=C(c1n[nH]c2c1CCCC2)N1CC[C@H](B(O)O)C1 585075659 ICPNOWCESIIBGO-QMMMGPOBSA-N 263.106 -0.023 50 20 CBGD CS(=O)(=O)N1CCC[C@@H]1C(=O)NNC(=O)C1CCC1 732143724 DFYJYMXYBPGPCQ-SECBINFHSA-N 289.357 -0.642 50 20 CBGD CN1C(=O)C(=O)N(CC(=O)NNc2ccc(F)cc2)C1=O 733128262 MYAMBVAEECXOOL-UHFFFAOYSA-N 294.242 -0.311 50 20 CBGD CN(C)S(=O)(=O)NNC(=O)c1ccccc1F 740706218 RVYJQMDHCCPNDX-UHFFFAOYSA-N 261.278 -0.134 50 20 CBGD Cc1[nH]nc(C(=O)NNC(=O)C2CC2)c1[N+](=O)[O-] 747336688 HPTUMVVMDUFOFE-UHFFFAOYSA-N 253.218 -0.203 50 20 CBGD Cc1ccc(C(=O)NNC(=O)c2nc(O)nc(O)c2N)o1 752779081 BRUVZJSEQPMHEV-UHFFFAOYSA-N 293.239 -0.554 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=O)Cc1cccnc1 754998756 TVTYOKKOBPELNP-LBPRGKRZSA-N 267.285 -0.831 50 20 CBGD Cn1c(C(=O)NNC(=O)c2cccnc2)cccc1=O 756845354 JYXYEQTYDOPAPL-UHFFFAOYSA-N 272.264 -0.145 50 20 CBGD CCCC1(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 758031917 YWFXKUKFEOGVPR-MRVPVSSYSA-N 291.373 -0.348 50 20 CBGD C[C@H](C[S@](C)=O)N(C)CC(=O)NNC(=O)C(C)(C)C 767838577 OIZIGEMPKSZWJO-HOGDKLEQSA-N 291.417 -0.121 50 20 CBGD Cn1c(O)nc2cc(C(=O)NNC(=O)C(C)(C)O)ccc21 768246024 ICWMVRZINOKOPW-UHFFFAOYSA-N 292.295 -0.189 50 20 CBGD CCNC(=O)N(C)NC(=O)CCN1CCCC1=O 770549138 LWOFNHZSTNDCGL-UHFFFAOYSA-N 256.306 -0.309 50 20 CBGD N#Cc1ccc(OCC(=O)NNC(=O)C2(O)CCC2)cc1 771867319 IPGDFEKWCYKLJD-UHFFFAOYSA-N 289.291 -0.001 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)CC(=O)OC 772183729 BQPKVJPZLDCYJY-HTQZYQBOSA-N 288.300 -0.325 50 20 CBGD O=C1CCC[C@H](C(=O)NNC(=O)NCC2CC2)N1 799583104 UZMRJDJKDGFZOY-MRVPVSSYSA-N 254.290 -0.605 50 20 CBGD CSCC[C@@H](O)C(=O)NNC(=O)N=c1cc[nH]cc1 802035007 NPQNKBXUYSDZRK-SECBINFHSA-N 284.341 -0.230 50 20 CBGD Cn1cncc1CC(=O)NNC(=O)c1ccncc1 806275440 GVBMDWIVFHNSQS-UHFFFAOYSA-N 259.269 -0.181 50 20 CBGD Cn1ccc(CCC(=O)NNC(=O)C(C)(C)O)n1 816360238 POWLJGOXWLZXIZ-UHFFFAOYSA-N 254.290 -0.729 50 20 CBGD CC[C@H](CS(=O)(=O)NNC(=O)NCC1CC1)OC 817355858 WTKWUCUWWNHJBT-SECBINFHSA-N 279.362 -0.045 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@@H]1CC(=O)N(C)C1)C1CC1 819037858 YSHWXPJEVOTTJN-IONNQARKSA-N 284.385 -0.242 50 20 CBGD Cc1cc(C)n(CC(=O)NN(C)C[C@H](C)O)c(=O)n1 821218253 WHLTUELPCQAUDD-JTQLQIEISA-N 268.317 -0.796 50 20 CBGD CCNC(=O)N(C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 825470672 HOLZOYDSKQOQMC-UHFFFAOYSA-N 278.276 -0.499 50 20 CBGD CCN(CC)CCC(=O)NN=Cc1ncnn1C 842521663 NMWLTDIRRARLMO-UHFFFAOYSA-N 252.322 -0.003 50 20 CBGD CCNC(=O)N(C)NC(=O)CO[C@@H]1CCCNC1 843494749 XASLOACEZMGECP-SECBINFHSA-N 258.322 -0.553 50 20 CBGD COCC1(CC(=O)NNC(=O)N2CCOCC2)CC1 843779833 XQHDAEPOUSKDIC-UHFFFAOYSA-N 271.317 -0.124 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@]1(O)CCSC1 843977993 ISCNJXZJVHEERF-RNSXUZJQSA-N 274.342 -0.573 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCCC(=O)N(C)C 843980271 SDIQKUCVIMHSDU-VHSXEESVSA-N 285.344 -0.183 50 20 CBGD CCCNC(=O)NNC(=O)[C@H]1CCCS(=O)(=O)C1 845301993 JTOVSYUXBHFQFK-QMMMGPOBSA-N 277.346 -0.448 50 20 CBGD COC[C@H]1C[C@@H](O)CN1C(=O)/C(C#N)=C/c1cnn(C)c1 846451442 KYZUZDHPSLZMJE-ZIAWVFJWSA-N 290.323 -0.065 50 20 CBGD CCONC(=O)CNC(=O)NNc1ncncc1F 846725844 WLJGUILKXVTWSH-UHFFFAOYSA-N 272.240 -0.691 50 20 CBGD COC(=O)[C@H]1[C@H](O)CCCN1S(=O)(=O)CCl 849386162 AGUARGKFKOEGKO-RNFRBKRXSA-N 271.722 -0.489 50 20 CBGD C[C@@H]1CN(C)CC1=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 853389270 YPUUKEWBLVYLPK-WZRBSPASSA-N 280.372 -0.097 50 20 CBGD CNC(=S)N(C)NC(=O)c1cc2n(n1)CCO2 854921408 QZMXOGFDOIJOAB-UHFFFAOYSA-N 255.303 -0.644 50 20 CBGD CCn1ccc(CC(=O)NN(C)C(=S)NC)n1 854928089 WKLMPOHMJPURJF-UHFFFAOYSA-N 255.347 -0.087 50 20 CBGD COc1ccsc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862456378 XRMUZWACRBEFEX-LURJTMIESA-N 283.309 -0.204 50 20 CBGD COCCC1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 862457098 AXURXUXUKAEVEW-MRVPVSSYSA-N 269.301 -0.771 50 20 CBGD O=C(NCCCCCCO)c1cccc(B(O)O)c1 863878246 MWGBMZJAVXKBLR-UHFFFAOYSA-N 265.118 -0.351 50 20 CBGD OB(O)c1ccc(CNCCOCC(F)F)cc1 863891271 LGDSWAVFZCZPAH-UHFFFAOYSA-N 259.061 -0.262 50 20 CBGD COC(=O)c1ccnc(N2CC[C@@H](B(O)O)C2)c1[N+](=O)[O-] 864234628 YBJBIIQDKASYTM-SSDOTTSWSA-N 295.060 -0.171 50 20 CBGD N#CCNC(=O)CNS(=O)(=O)CCCCl 882193942 CSZIRMYMTHXONX-UHFFFAOYSA-N 253.711 -0.826 50 20 CBGD CO[C@@]1(C(=O)NNC(=O)c2ccnnc2)CCSC1 898000186 MUAJKTYDDMDFAC-NSHDSACASA-N 282.325 -0.240 50 20 CBGD CC[C@@H](O)[C@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 900455468 XCTOVTXNKGCZIA-DTWKUNHWSA-N 271.317 -0.837 50 20 CBGD C[C@]1(C(=O)NC[C@@H](O)C(N)=O)C[C@H]1Br 907780935 JJTBWBOOGFVUHX-LRMHIPNDSA-N 265.107 -0.878 50 20 CBGD C[C@]1(C(=O)N2C[C@H](O)[C@@H](CO)C2)C[C@@H]1Br 909885336 UCTZJWQYTSWNKK-VEVYYDQMSA-N 278.146 -0.029 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21 913433439 IEZLBEACDVBTRL-PPKCKEKNSA-N 270.285 -0.978 50 20 CBGD CCc1nnsc1C(=O)NNC(=O)CN1CCCC1=O 920435193 FNQQLQPOTDRTPT-UHFFFAOYSA-N 297.340 -0.516 50 20 CBGD C[C@H]1COC[C@H]1NC(=O)NNC(=O)Cc1ccncc1 926009928 MQOAZJPUZMOFAZ-GXSJLCMTSA-N 278.312 -0.011 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H]1CSCC(=O)N1 929793635 QJNCJTSBLOIPKV-ZETCQYMHSA-N 259.331 -0.589 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN[C@H]1C(=O)NCC1(C)C 931658816 PDWYCEACAOWNIV-VIFPVBQESA-N 284.360 -0.706 50 20 CBGD COc1cc(C(=O)NNC(=O)C(=O)NC(C)C)ccn1 1115866124 MZBHSLCILGIJTF-UHFFFAOYSA-N 280.284 -0.624 50 20 CBGD O=C(NNC(=O)C1CCOCC1)c1cc2ncccn2n1 1119442905 CDHRZEBRHZIYRW-UHFFFAOYSA-N 289.295 -0.083 50 20 CBGD NC(=O)c1ccc(NNC(=O)c2ccc(F)cn2)nn1 1254645558 OCPMIBBERNJCRN-UHFFFAOYSA-N 276.231 -0.134 50 20 CBGD CC(=O)NCCNC(=O)NNC(=O)c1cccc(C)n1 1324972059 ANHYQUHKZZOFPG-UHFFFAOYSA-N 279.300 -0.530 50 20 CBGD C[C@H](C(=O)NNC(=O)Cc1cccnc1)S(C)(=O)=O 1326381580 SKIOIPGRSRRRQL-MRVPVSSYSA-N 285.325 -0.795 50 20 CBGD Cc1noc(C)c1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1329656700 WYYOROMYTXQJBB-SSDOTTSWSA-N 266.257 -0.669 50 20 CBGD Cc1noc(C)c1CC(=O)NNC(=O)CN1CCCC1=O 1333386840 MFWGWYCTPYEJIC-UHFFFAOYSA-N 294.311 -0.396 50 20 CBGD COCCOCC(=O)NNC(=O)c1cn(C)nc1C 1335742601 VHFVTQKLORLION-UHFFFAOYSA-N 270.289 -0.847 50 20 CBGD O=C(C[C@@H]1C=CS(=O)(=O)C1)NNC(=O)c1ccccn1 1340155828 DOBKEOFABOFMRZ-VIFPVBQESA-N 295.320 -0.209 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1cnc(CC)nc1 1342634982 HONPLCBXBXUQHG-UHFFFAOYSA-N 281.272 -0.245 50 20 CBGD O=C(NNC(=O)c1cnsn1)c1ccc(C(=O)O)nc1 1574578709 LWVLQSACGSZBDZ-UHFFFAOYSA-N 293.264 -0.294 50 20 CBGD CCN(CCO)NC(=O)c1c[nH]nc1[C@H]1CCNC1 1577725707 KYJIBNISDQZMAJ-VIFPVBQESA-N 267.333 -0.554 50 20 CBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@H](CN)OC)c1 1579169212 MAGYSSSBYIRMLH-NSHDSACASA-N 297.311 -0.562 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@H]2CSCN2)n[nH]1 1579589651 LWSLSCMPEJXYGI-MRVPVSSYSA-N 269.330 -0.929 50 20 CBGD NCCCC(=O)NNC(=O)C1(c2cccnc2)CC1 1580288894 DQYZTEKOYMRGQO-UHFFFAOYSA-N 262.313 -0.001 50 20 CBGD CCC(CC)(C(=O)O)C(=O)NNC(=O)CN1CCCC1=O 1589476141 ZUNNALJGVOQUQH-UHFFFAOYSA-N 299.327 -0.353 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCC[C@@]1(C)C(=O)O 1590938908 MEIUQKDGFSGOFI-LBPRGKRZSA-N 271.317 -0.271 50 20 CBGD C[C@H](CNC(=O)NNC(=O)C(=O)O)CC(F)F 1592676636 SUWXMIOTMZFEFX-BYPYZUCNSA-N 253.205 -0.307 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1601461590 SEEDZNKEFVUYTN-UHNVWZDZSA-N 299.205 -0.489 50 20 CBGD O=C(O)CC1(C(=O)NNC(=O)C2CC2)CCOCC1 1606072043 YLSLCHILRWLXCR-UHFFFAOYSA-N 270.285 -0.185 50 20 CBGD Cc1csc(CNC(=O)NNC(=O)C(=O)O)n1 1607931648 TVSAQBZASZHPPI-UHFFFAOYSA-N 258.259 -0.633 50 20 CBGD O=C(NC[C@H]1OCCc2ccccc21)NNC(=O)C(=O)O 1608440132 TXFFJOQCXTYRNA-SNVBAGLBSA-N 293.279 -0.285 50 20 CBGD C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847563490 OMXSVUNHIXDVRZ-GUBZILKMSA-N 270.716 -0.579 50 20 CBGD Cc1csc(=O)n1CCC(=O)NNC(=O)[C@@H]1CCCO1 42959975 TWYWAHOHZVDMJV-VIFPVBQESA-N 299.352 -0.065 50 20 CBGD Cc1cccc2nc(C(=O)NNC(=O)CN(C)C)cn12 113426800 VIGFQKIPHLDHCV-UHFFFAOYSA-N 275.312 -0.035 50 20 CBGD CC(C)(C)C(=O)NCC(=O)NNC(=O)NCC1CC1 139388764 LAAYYFVFLQTLST-UHFFFAOYSA-N 270.333 -0.111 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)NC[C@@H](C)C#N)n1 182833008 LKMLFRRCFROHSD-QMMMGPOBSA-N 278.316 -0.010 50 20 CBGD C#CCC(C)(C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 274359608 KRJZPGCTKSSJQX-MRVPVSSYSA-N 289.357 -0.879 50 20 CBGD COCCN1C[C@@H](C(=O)NNC(=O)NC(C)C)CC1=O 299310337 SJTIWKMPBNXGEZ-VIFPVBQESA-N 286.332 -0.780 50 20 CBGD COc1ncc(/C=C/C(=O)NN(C)C(N)=O)cn1 492654276 SGDXHGLBXUPTOC-ONEGZZNKSA-N 251.246 -0.460 50 20 CBGD CCOC(=O)NNC(=O)c1nnn(-c2ccn(C)n2)c1C 496318756 BZQBHOSAMUZMKF-UHFFFAOYSA-N 293.287 -0.300 50 20 CBGD CCN1CC[C@H](NC(=O)c2ccc(B(O)O)cc2)C[C@H]1C 584952394 UDMNXTZABYRYNN-RISCZKNCSA-N 290.172 -0.031 50 20 CBGD O=C(N[C@@H]1CCCC[C@H]1O)c1cc(B(O)O)ccc1F 584964584 KAGVYVAYEPDLDH-VXGBXAGGSA-N 281.092 -0.461 50 20 CBGD CO[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584968441 BABJLFWWGLSIPL-GFCCVEGCSA-N 263.102 -0.383 50 20 CBGD COCCCOCCN(C)C(=O)c1cccc(B(O)O)c1 584970009 KBTMVEHAOVKKLR-UHFFFAOYSA-N 295.144 -0.509 50 20 CBGD CC(C)N(C)C[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 584990321 CAUYLYDSMWSDKG-LLVKDONJSA-N 278.161 -0.175 50 20 CBGD CC[C@@H](CNC(=O)c1cc(B(O)O)ccc1F)OC 584990761 JRCJLAXHDBEKLD-VIFPVBQESA-N 269.081 -0.340 50 20 CBGD C[C@H]1C[C@@H](CO)CN(C(=O)c2ccc(B(O)O)c(F)c2)C1 585000380 MADMKBGXQNHWGE-VHSXEESVSA-N 295.119 -0.404 50 20 CBGD COC[C@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F 585009932 HNCDENUWGUVVAR-SNVBAGLBSA-N 281.092 -0.244 50 20 CBGD CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cccc(B(O)O)c1 585010865 YZWXWKJEVMWOCG-LBPRGKRZSA-N 290.128 -0.941 50 20 CBGD CN1CCC[C@H](NCc2ccccc2B(O)O)C1=O 585025679 ABEYFMHOTHHADY-LBPRGKRZSA-N 262.118 -0.923 50 20 CBGD O=S1(=O)CCC[C@@H]1CNCc1ccccc1B(O)O 585044176 AGOJPVZSAZXVAC-LLVKDONJSA-N 283.158 -0.967 50 20 CBGD O=S(=O)(NCB(O)O)c1cc(F)cc(F)c1 585053872 DZLOIRUEXGWRNK-UHFFFAOYSA-N 251.019 -0.745 50 20 CBGD O=S(=O)(NCB(O)O)c1cccc2cccnc12 585054064 HDRBJWJYWPDOEF-UHFFFAOYSA-N 266.087 -0.475 50 20 CBGD CCc1ccccc1-n1cc(O)c(C(=O)NCB(O)O)n1 585072700 DUELTOVFMPMNDB-UHFFFAOYSA-N 289.100 -0.118 50 20 CBGD CCCNC(=O)NNC(=O)C1(C(=O)NC)CCC1 729968543 WPUBPPHGAXWJPW-UHFFFAOYSA-N 256.306 -0.357 50 20 CBGD O=C(CNc1ccccc1)NNC(=O)[C@@H]1C[C@H]1C(=O)O 739308227 IBHOSXTUUZOCTH-NXEZZACHSA-N 277.280 -0.033 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)NC1CCCC1 751689208 NXMKWWIPIQDPSO-VIFPVBQESA-N 268.317 -0.120 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=O)COc1ccccc1O 755003177 VFRVYTQCWUUQRS-ZDUSSCGKSA-N 298.295 -0.684 50 20 CBGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)C(C)(C)O)C1 768259727 OKYCVEWMQDHMOC-QMMMGPOBSA-N 271.317 -0.837 50 20 CBGD CC(C)OC[C@H]1CN(CC(=O)NNC(=O)C2CC2)CCO1 770707551 UQBGQNLMCURQRT-GFCCVEGCSA-N 299.371 -0.330 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(OC)n(C)n1 772640238 QEYJGWDAOHIAQA-ZETCQYMHSA-N 298.299 -0.469 50 20 CBGD COc1ccc(NNC(=O)[C@@H]2CCC(=O)N2)nc1 781519987 WYHXWTYBOSIEPU-QMMMGPOBSA-N 250.258 -0.188 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCC(C)(C)O)cn1 787379067 DUNDZWPRGPVQQP-UHFFFAOYSA-N 254.290 -0.268 50 20 CBGD CN1CCN(CC(=O)NNc2cccc(F)n2)CC1 804768394 ZTFIDRLYPIZMCQ-UHFFFAOYSA-N 267.308 -0.089 50 20 CBGD COCCC(COC)=NNC(=O)C(=O)NC(C)C 812224133 BQMKYYLYRMDDJV-UHFFFAOYSA-N 259.306 -0.334 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC(=O)N(C2CC2)C1 827274973 RGCJXKYEHOXCHO-WPRPVWTQSA-N 296.327 -0.584 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)COC[C@H]1CCCO1 843651131 LQWIPQKAZAKCAS-HBNTYKKESA-N 286.328 -0.246 50 20 CBGD CC(C)(CO)C(=O)NNC(=O)CNC(=O)c1ccco1 847421045 JZNZNBKPENIDEA-UHFFFAOYSA-N 283.284 -0.825 50 20 CBGD C[C@@H](CNC(=O)NNc1ccncn1)S(C)(=O)=O 852712128 GJGGPCKDXMWSKX-ZETCQYMHSA-N 273.318 -0.464 50 20 CBGD CCC[C@](C)(O)C(=O)NNC(=O)N1CCN(C)CC1 854378933 INXPBYPVIFQYLD-LBPRGKRZSA-N 272.349 -0.474 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H](NS(C)(=O)=O)C(C)C 854923042 XYKXICDYPUQHKQ-ZETCQYMHSA-N 296.418 -0.973 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCOC2CCCC2)N1 858192296 KIAAKOCCZRLIDF-JTQLQIEISA-N 298.343 -0.445 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1CC(=O)N(C2CC2)C1 858285335 KDVSPXUKMLPBQS-MRVPVSSYSA-N 292.299 -0.883 50 20 CBGD C[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C[C@H]1C 858696059 IBKMTFDLZZLVGB-HLTSFMKQSA-N 268.317 -0.406 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC[C@H]2C2CC2)N1 858698709 ZCAONBUQGAUZHU-ZJUUUORDSA-N 280.328 -0.120 50 20 CBGD O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNC(=O)C1CC1 859378135 GYNCURSBSYCXPT-NXEZZACHSA-N 293.323 -0.281 50 20 CBGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)c2cn[nH]c2)C1 862472567 MXNCLAYSEVGCQG-QMMMGPOBSA-N 279.300 -0.571 50 20 CBGD O=C1CC[C@@H](C(=O)NN=C2CNC(=O)c3ccccc32)N1 863151074 GYHNMZFFFPKRNM-JTQLQIEISA-N 286.291 -0.471 50 20 CBGD COc1ccc(O)c(C=NNC(=O)CS(C)(=O)=O)c1 863188919 RZQUOXNURAJBKS-UHFFFAOYSA-N 286.309 -0.105 50 20 CBGD C#CCSCCNC(=O)c1ccc(B(O)O)cc1 863874465 WHTCBHYQCQEETI-UHFFFAOYSA-N 263.127 -0.537 50 20 CBGD COC(=O)c1cc(CN2CC[C@H](B(O)O)C2)cn1C 864233376 IQBLCTLWUMHZFU-JTQLQIEISA-N 266.106 -0.140 50 20 CBGD COC[C@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1 883914945 DKMCLLXWGBVQSH-DTWKUNHWSA-N 259.306 -0.079 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)NC2CCCC2)C1=O 900413000 MVPGKOCUZYVONQ-SECBINFHSA-N 284.316 -0.883 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccnc2c1ncn2C 910157596 RHVPNTOFTJRROP-QMMMGPOBSA-N 263.301 -0.074 50 20 CBGD Cc1nccc(C(=O)NNC(=O)CN2CCCC2=O)n1 920433577 VVEKUCFGBKDOGH-UHFFFAOYSA-N 277.284 -0.832 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)NCC(=O)N1CCCC1 1116101230 KGWSAZNNNYGTDM-UHFFFAOYSA-N 296.249 -0.108 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)Cc2ccncc2)CC1=O 1116185680 RMAWZCXIANZILA-LLVKDONJSA-N 290.323 -0.360 50 20 CBGD Cc1nc(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n[nH]1 1118712105 HCNHOIAQUQLTTR-HTRCEHHLSA-N 267.289 -0.772 50 20 CBGD CNCCNC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br 1118766502 JQANPNJCLLQADH-GMSGAONNSA-N 292.177 -0.388 50 20 CBGD CNC(=O)c1cccc(C(=O)NNc2cccnn2)n1 1254591604 UHZGLLCVUDLEIE-UHFFFAOYSA-N 272.268 -0.012 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCc1cscn1 1319253527 YAZJJXNQMKZEBU-UHFFFAOYSA-N 272.286 -0.811 50 20 CBGD CS[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccccn1 1319610165 QRKMBMMSPAOUAX-ZETCQYMHSA-N 282.325 -0.081 50 20 CBGD CCn1nc(C(=O)NN=c2cc[nH]cc2)ccc1=O 1319949434 KKGSUULBNCTEFS-UHFFFAOYSA-N 259.269 -0.163 50 20 CBGD O=C(Cn1[nH]cc2c(=O)ncnc1-2)NN=c1cc[nH]cc1 1319950783 YFDXICVTCAUGQQ-UHFFFAOYSA-N 285.267 -0.969 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1c[nH]nc1C 1320284409 BBKNJTQFVZVTDW-VIFPVBQESA-N 299.331 -0.400 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccn(C)n2)o1 1320358288 OTMXAYKXPRBRER-UHFFFAOYSA-N 291.267 -0.279 50 20 CBGD Cc1nnc(NNC(=O)CC[C@@]2(C)CCC(=O)N2)nc1O 1320957224 XNAWGFSJQSMBDN-GFCCVEGCSA-N 294.315 -0.222 50 20 CBGD Cc1cccc(NC(=O)C(=O)NNC(=O)C2CC2)n1 1320996655 NONHFZYCYDOSRQ-UHFFFAOYSA-N 262.269 -0.114 50 20 CBGD COc1ccc2c(c1)C(=NNC(=O)CCO)C(=O)N2C 1327223734 UNPONCPQOIFXPL-UHFFFAOYSA-N 277.280 -0.126 50 20 CBGD Cn1nc(C(=O)NNc2nncc(N)c2Cl)cc1O 1328664332 APUNZBKNUXTIBO-UHFFFAOYSA-N 283.679 -0.092 50 20 CBGD C[C@@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccn1 1328690021 TURJCPRPFNCYAN-PSASIEDQSA-N 291.311 -0.248 50 20 CBGD C#CC[C@@H](CCOC)NC(=O)NNC(=O)c1ncccn1 1328717578 AQYUTJMEYITYRY-JTQLQIEISA-N 291.311 -0.151 50 20 CBGD O=C(CN1CCC2(CCNC2=O)CC1)NNC(=O)C1CC1 1331833884 WFQPZBVSTKGCGG-UHFFFAOYSA-N 294.355 -0.854 50 20 CBGD C#CCCCC(=O)NNC(=O)CCn1cnccc1=O 1334025036 RLMVSMBPINTFDO-UHFFFAOYSA-N 276.296 -0.416 50 20 CBGD Cc1cccc(NC(=O)C(=O)NNC(=O)CCO)c1F 1342607253 MCZZPBSMIAQDEZ-UHFFFAOYSA-N 283.259 -0.398 50 20 CBGD CO[C@@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)C1CC1 1344348956 XHOVHNKUVJDEQH-MRVPVSSYSA-N 292.299 -0.063 50 20 CBGD CS(=O)(=O)c1ccccc1NNC(=O)C[C@H]1CC(=O)N1 1350924497 SUUPLAJIPOPAOY-MRVPVSSYSA-N 297.336 -0.188 50 20 CBGD Cc1cccc(NNC(=O)[C@H](N)CCS(C)(=O)=O)n1 1574166219 YCKSSNNTOMYCPR-SECBINFHSA-N 286.357 -0.405 50 20 CBGD CO[C@@H](CN)C(=O)NNC(=O)Cn1ccc2ccccc21 1579111298 ZOLCGUUHUBKBDI-LBPRGKRZSA-N 290.323 -0.238 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)[C@@H]1[C@H]2CCNC[C@H]21 1580627913 FXZRFRGWABSMMP-RRKCRQDMSA-N 280.250 -0.265 50 20 CBGD O=C(NNC(=O)c1ccc2c(n1)CNCC2)c1cc[nH]n1 1580737052 IOSULNMCVFGURU-UHFFFAOYSA-N 286.295 -0.475 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H](C)CC(=O)O)O1 1592359587 ICZGASSPLNEODN-CSMHCCOUSA-N 258.274 -0.188 50 20 CBGD Cn1cnc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)c1 1592586784 MTZGJOLOGDBKRV-UHFFFAOYSA-N 285.271 -0.248 50 20 CBGD O=C(NNC(=O)c1cccnn1)N[C@H]1CC[C@@H](C(=O)O)C1 1594780606 ZAWBSVWOBASNMW-SFYZADRCSA-N 293.283 -0.326 50 20 CBGD Cn1nnc(NC(=O)NNc2ccc(CC(=O)O)cc2)n1 1601041031 LJPBCPRIZJCEBK-UHFFFAOYSA-N 291.271 -0.014 50 20 CBGD COCCN(C)NC(=O)[C@H]1CO[C@H](CCC(=O)O)C1 1604583866 HTCSIBGCUZBWHY-NXEZZACHSA-N 274.317 -0.134 50 20 CBGD COCCN(C)NC(=O)Nc1c(C(=O)O)cnn1C 1606880989 SSDJXWIEHAKYRG-UHFFFAOYSA-N 271.277 -0.267 50 20 CBGD Cc1ncc(NC(=O)NNC(=O)CN(C)C)cc1C(=O)O 1607982338 FGKRPKPLSQIOOQ-UHFFFAOYSA-N 295.299 -0.197 50 20 CBGD O=C(O)CNC(=O)NN=Cc1cnn(CC(F)F)c1 1608754598 REUDHFGXJFYUNL-UHFFFAOYSA-N 275.215 -0.134 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2c[nH]nc2C)n(C)n1 109860383 SEZWONVGIWGVDK-UHFFFAOYSA-N 262.273 -0.165 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ncccc1O 117973379 XKVBVHPSCBRIHS-UHFFFAOYSA-N 261.241 -0.106 50 20 CBGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)NCC2CC2)C1 133748854 ORLSMAMJWTUYPJ-JTQLQIEISA-N 282.344 -0.015 50 20 CBGD CC(=O)NCCNC(=O)NNC(=O)c1ccc(C#N)cc1 139651727 CCRPBLJAVVMIGO-UHFFFAOYSA-N 289.295 -0.362 50 20 CBGD CN(C)C(=O)CCCNC(=O)NNc1ncccn1 193853312 GMUBKMCVFZVFKR-UHFFFAOYSA-N 266.305 -0.029 50 20 CBGD COC(=O)N(C)CCCC(=O)NNC(=O)CN(C)C 265096213 VSMLRXOUSJSNNE-UHFFFAOYSA-N 274.321 -0.826 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)O)cc1 282780372 LJKLUHQBEOOHMJ-MRVPVSSYSA-N 265.269 -0.538 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2COC(=O)N2)s1 282981668 JENKGPQVJJFSET-LURJTMIESA-N 269.282 -0.074 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1C[C@@]12CCOC2 364092102 BZAFXSHRINUTJY-JOYOIKCWSA-N 271.317 -0.220 50 20 CBGD CCOC(=O)NNC(=O)c1ccc2c(c1)C(=O)NC2=O 491225700 OCNXDDLESZBZPE-UHFFFAOYSA-N 277.236 -0.039 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2NC(=O)O[C@@H]2C)n1 496362399 DYSDCSKBLDNCQL-SVRRBLITSA-N 281.272 -0.266 50 20 CBGD CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNC(=O)C(C)(C)O 496992106 VQKPVKMXNQGXNZ-YUMQZZPRSA-N 289.332 -0.325 50 20 CBGD C[C@H]1C[C@@H]1CNC(=O)c1ccc(B(O)O)c(F)c1 584930478 YHYVVNONETUWPF-IONNQARKSA-N 251.066 -0.109 50 20 CBGD C[C@@H]1OCC[C@]1(C)NC(=O)c1ccc(B(O)O)c(F)c1 584973077 LDFQAHHKYWDJBG-SDBXPKJASA-N 281.092 -0.197 50 20 CBGD CO[C@@H]1CC[C@H](NC(=O)c2cc(B(O)O)ccc2F)C1 584980036 OCCZRBLPECHYJZ-VHSXEESVSA-N 281.092 -0.197 50 20 CBGD COC[C@H](C)[C@H](C)NC(=O)c1cccc(B(O)O)c1 584992646 QOKOYGQRWMBIRE-UWVGGRQHSA-N 265.118 -0.233 50 20 CBGD CCC1(CO)CN(C(=O)c2cccc(B(O)O)c2)C1 584999624 GGXWZAGFPWODSP-UHFFFAOYSA-N 263.102 -0.789 50 20 CBGD C[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@H]1CO 585010979 VRFZBLAQUWZYOE-KOLCDFICSA-N 295.119 -0.404 50 20 CBGD C[C@@H](CN1CCOC[C@H]1C)NCc1ccc(B(O)O)cc1 585021598 MHCLDQJGEJENQY-QWHCGFSZSA-N 292.188 -0.435 50 20 CBGD Cc1nc(CCNCc2ccc(B(O)O)cc2F)no1 585022357 NCBFVZDCKWMQJP-UHFFFAOYSA-N 279.080 -0.471 50 20 CBGD CCNC(=O)C(C)(C)CNCc1cccc(B(O)O)c1 585029279 DUVUETHJYJHZNF-UHFFFAOYSA-N 278.161 -0.382 50 20 CBGD CC(C)N1C[C@H](CNCc2ccc(B(O)O)cc2)CC1=O 585043869 UXZZMWCXNXBKSC-ZDUSSCGKSA-N 290.172 -0.287 50 20 CBGD CO[C@H]1COCC[C@H]1CNCc1ccc(B(O)O)cc1 585044118 YYEHCTULXMQLBM-JSGCOSHPSA-N 279.145 -0.493 50 20 CBGD C[C@@H](NCc1ccccc1B(O)O)c1ccn(C)n1 585045861 ISSVHMAKTDYCNA-SNVBAGLBSA-N 259.118 -0.049 50 20 CBGD COc1ccc(C(=O)NNC(=O)CN(C)C)cc1[N+](=O)[O-] 727761423 BZDPOFPIXCUNPD-UHFFFAOYSA-N 296.283 -0.074 50 20 CBGD COc1ccnc(NNC(=O)C2(C(N)=O)CCC2)n1 729261968 JMRAMDJVRFGIAQ-UHFFFAOYSA-N 265.273 -0.416 50 20 CBGD C[C@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)Cc1cc[nH]n1 730091842 ZBLYAHXGYPSEFF-ONGXEEELSA-N 296.327 -0.316 50 20 CBGD O=C(CN1CCS(=O)(=O)CC1)NNc1ccccn1 732199978 SYFICFUPIXINLN-UHFFFAOYSA-N 284.341 -0.745 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CCNC(=O)O 739042958 LJRMQLXVIYJKGW-UHFFFAOYSA-N 254.246 -0.556 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CN(C)CC(N)=O)c1 744389179 MYGHLHUOCZMZRT-UHFFFAOYSA-N 278.312 -0.827 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccc(C#N)cc1 747172992 DQKPPUXMKYVKRB-UHFFFAOYSA-N 281.293 -0.636 50 20 CBGD C[C@H](C(=O)NNC(=O)c1cnn(C)c1)c1cnn(C)c1 750003669 JOJYYQHCDYDFEE-QMMMGPOBSA-N 276.300 -0.282 50 20 CBGD CC[C@H]1CC[C@H](C(=O)NNC(=O)C(=O)NC(C)C)O1 756906750 ZUSKVYSCLFZULE-DTWKUNHWSA-N 271.317 -0.384 50 20 CBGD C#CCCCC(=O)NNC(=O)Cn1ccccc1=O 757779396 ZRQIEIBPCGJWOH-UHFFFAOYSA-N 261.281 -0.201 50 20 CBGD CC(C)(O)C(=O)NNC(=O)COc1ccc(C(N)=O)cc1 768254604 APHOFMCGOUWQRR-UHFFFAOYSA-N 295.295 -0.917 50 20 CBGD CC(=O)CCc1ccc(OCC(=O)NNC(=O)CO)cc1 777781913 RNNCBOAFFUCQGY-UHFFFAOYSA-N 294.307 -0.273 50 20 CBGD CC(=O)N(CCc1ccccc1)CC(=O)NNC(=O)CO 777782369 ANIFHWKFYMTHNQ-UHFFFAOYSA-N 293.323 -0.783 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cccc(C(N)=O)c1 779822973 JQHRHXSMWLWJMF-UHFFFAOYSA-N 278.268 -0.408 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CC1OCCCO1 793456421 SXXREXPSEOHEMA-UHFFFAOYSA-N 268.273 -0.368 50 20 CBGD O=C(NN=Cc1c[nH]c(C(=O)O)c1)C(=O)NC1CC1 814777523 DFSLCSATSUHAMQ-UHFFFAOYSA-N 264.241 -0.558 50 20 CBGD CCN(CCO)NC(=O)CNC(=O)NC1CCCCC1 823852846 QOJUZILEVQJYRD-UHFFFAOYSA-N 286.376 -0.036 50 20 CBGD CCN(CCO)NC(=O)c1cc(OC(F)F)n(C)n1 823873529 CNJUACGHHBBAEV-UHFFFAOYSA-N 278.259 -0.020 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@H](C)O[C@H](C)C1 827294653 KUMDCULAYAELRC-AOOOYVTPSA-N 257.334 -0.101 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC(=O)N[C@@H]2CCCC[C@H]21 828039835 ARINWIYOKHCVQN-GHMZBOCLSA-N 296.371 -0.467 50 20 CBGD CC(=O)NNC(=O)C1=C(C)N(C)c2nnnn2[C@@H]1C 847282941 FLIRBXGYSFAIKQ-ZCFIWIBFSA-N 265.277 -0.875 50 20 CBGD CN(C)CCCNC(=S)NNC(=O)c1cc[nH]n1 849276206 BRHKBDLRULDLGV-UHFFFAOYSA-N 270.362 -0.530 50 20 CBGD CC(Cn1cncn1)=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 853391906 ZVOUDJGZIOIFPU-NEPJUHHUSA-N 292.343 -0.367 50 20 CBGD O=C(/C=C\[C@H]1CCOC1)NNC(=O)c1cc[nH]n1 855354955 OERNXVAMQFELGK-JQSQLHRZSA-N 250.258 -0.237 50 20 CBGD Cn1cc(CCC(=O)NNC(=O)c2cc[nH]n2)cn1 855359003 BDNFVNJLKQDJIG-UHFFFAOYSA-N 262.273 -0.463 50 20 CBGD Cn1cc(Cl)c(C(=O)NNC(=O)C(=O)N2CCCC2)n1 858935403 KXLMOHXCNSLYEU-UHFFFAOYSA-N 299.718 -0.543 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCCSC2)N1 862462463 QLKAZTXVLJAZRT-SFYZADRCSA-N 271.342 -0.444 50 20 CBGD Cc1cc(=NNC(=O)[C@H](C)N2CCN(C)CC2)cc[nH]1 862511309 KNYGNCIBFKBNKG-LBPRGKRZSA-N 277.372 -0.109 50 20 CBGD CCC(=NNC(=O)CS(C)(=O)=O)c1cn[nH]c1 863185866 FYINESYBDVHTHA-UHFFFAOYSA-N 258.303 -0.315 50 20 CBGD CN(NC(=O)Nc1cnn(C)c1)C(=O)N1CCNCC1 868171765 SYFUUOKKOZOAGV-UHFFFAOYSA-N 281.320 -0.586 50 20 CBGD O=C(NNc1ccc(F)cn1)C1(n2cnnn2)CC1 874647246 PGYFNUIEDZRXOF-UHFFFAOYSA-N 263.236 -0.160 50 20 CBGD COC(=O)N1CCC[C@H](NCc2ccccc2B(O)O)C1 876997187 PPHIQXGIVJJEJZ-LBPRGKRZSA-N 292.144 -0.313 50 20 CBGD OCC[C@@H](NCc1cccc(B(O)O)c1)C(F)(F)F 895884974 MYLIZMVRDTZJJX-SNVBAGLBSA-N 277.051 -0.231 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)c2ccccc2F)C1=O 899937052 MQAARZFQDNKARM-SNVBAGLBSA-N 295.270 -0.556 50 20 CBGD O=C1CC[C@@H]2[C@H]1[C@H]2C(=O)NNC(=O)N1CCOCC1 906449363 BWPLWWNAXJDREQ-QNSHHTMESA-N 267.285 -0.716 50 20 CBGD Cc1ccn(C[C@](C)(O)C(=O)NN(C)C[C@@H](C)O)c(=O)c1 910151112 ZVWVNOBJRMLCRR-RISCZKNCSA-N 297.355 -0.748 50 20 CBGD COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(B(O)O)cc1 916704175 GWGWQUBXYVALSY-LBPRGKRZSA-N 293.128 -0.316 50 20 CBGD CNC(=O)NNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 919879889 MLIOLVJFBSZPCI-IUCAKERBSA-N 296.327 -0.488 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ncccc1F 1116879663 JMLWTATYYJMYOD-UHFFFAOYSA-N 270.220 -0.776 50 20 CBGD COC/C(C)=C\C(=O)NNC(=O)c1cccnn1 1119605228 ONMIRQWUAWTVCV-VURMDHGXSA-N 250.258 -0.170 50 20 CBGD CNC(=S)N(C)NC(=O)c1c(C)nc(O)nc1S 1123898854 OCNWIQKHFAOXTH-UHFFFAOYSA-N 287.370 -0.140 50 20 CBGD CCOC(C)(C)CNC(=O)NNC(=O)C(=O)OC 1255372683 WALKOMSRWOUCSA-UHFFFAOYSA-N 261.278 -0.695 50 20 CBGD C[C@H](NC(=O)NNC(=O)c1ccccc1)c1nnnn1C 1263065684 MEUYMALYONWHGT-QMMMGPOBSA-N 289.299 -0.085 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1COc2ccc(C)cc21 1319741953 STYDQLPRMWWFSX-VIFPVBQESA-N 293.279 -0.068 50 20 CBGD CCNC(=O)NNC(=O)Cc1c(C)[nH]c2ccnn2c1=O 1326568157 RAIMZTFCMIIEJG-UHFFFAOYSA-N 292.299 -0.776 50 20 CBGD C[C@]1(CNC(=O)NNC(=O)c2cn[nH]c2)CCC(=O)N1 1328720001 ZVTRZMLCQBQUMK-LLVKDONJSA-N 280.288 -0.978 50 20 CBGD CCCNC(=O)CCCC(=O)NNc1cnnn1C 1331390980 AAGQCUVQUGLTIY-UHFFFAOYSA-N 268.321 -0.045 50 20 CBGD Cn1nncc1NNC(=O)COCc1cccnc1 1331394247 VNNWAOUKZMRXRG-UHFFFAOYSA-N 262.273 -0.130 50 20 CBGD CC1(C)C[C@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 1337360690 JNCPLPYSEIYWDX-RKDXNWHRSA-N 283.328 -0.382 50 20 CBGD CC[C@H](C)[C@@H](CNC(=O)NNC(=O)C(=O)OC)OC 1344564721 AYJRQYORMIGDHD-JGVFFNPUSA-N 275.305 -0.449 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 1348111418 WCJOZCQLNSYMMF-VGMNWLOBSA-N 284.316 -0.837 50 20 CBGD Cn1ccc(NNC(=O)[C@@H](N)Cc2ccncc2)n1 1579972560 GMQRFXKHOVEXNP-JTQLQIEISA-N 260.301 -0.172 50 20 CBGD CN(NC(=O)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C2)C(N)=O 1593766202 HMBQUEGVBVGGOP-HFJPGXAFSA-N 255.274 -0.081 50 20 CBGD O=C(O)[C@@H]1COCCN1S(=O)(=O)CCCCl 1594958769 VYJGBROIGFZXEV-ZETCQYMHSA-N 271.722 -0.270 50 20 CBGD O=C(O)Cc1cccc(NC(=O)NNC(=O)CO)c1 1595131672 BJRWPOYOCRUCGL-UHFFFAOYSA-N 267.241 -0.541 50 20 CBGD COCC1(CNC(=O)NNC(=O)C(=O)O)CCCC1 1599198197 DJFURGLBVZZHFM-UHFFFAOYSA-N 273.289 -0.392 50 20 CBGD O=C(O)c1ccc(NNC(=O)[C@H]2CCCNC2=O)nc1 1602384903 MBXAEIQISIEOSP-QMMMGPOBSA-N 278.268 -0.251 50 20 CBGD CC[C@H](C)[C@H](NNC(=O)[C@@H]1COCCO1)C(=O)O 1604942618 CGODMFBZVUHNLO-CIUDSAMLSA-N 260.290 -0.478 50 20 CBGD CNC(=O)NNC(=O)CNC(=O)Cc1ccccc1 56371189 LXCXZZZBLFTATB-UHFFFAOYSA-N 264.285 -0.695 50 20 CBGD CCCCOCC(=O)NNC(=O)CNC(=O)c1ccco1 265422835 OSJRLDLAXYNWPO-UHFFFAOYSA-N 297.311 -0.027 50 20 CBGD C=C(CBr)CN1CCN(S(N)(=O)=O)CC1 279725361 MXROOPZFUBVEOJ-UHFFFAOYSA-N 298.206 -0.241 50 20 CBGD CN(CCOCC1CC1)C(=O)c1cccc(B(O)O)c1 584957332 FHTKEUVJECNQBF-UHFFFAOYSA-N 277.129 -0.135 50 20 CBGD C[C@@H](CCCO)NC(=O)c1cccc(B(O)O)c1 584957669 HQHGMCHJRKHYNE-VIFPVBQESA-N 251.091 -0.743 50 20 CBGD CC[C@](NC(=O)c1ccc(B(O)O)cc1)(C(N)=O)C(C)C 584975271 ZUDASDUEUWREAA-CQSZACIVSA-N 292.144 -0.614 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@@]1(C)CO 585009114 PMAGDLUQEPLSHH-OTYXRUKQSA-N 295.119 -0.404 50 20 CBGD C[C@@H]1CN(C)CC[C@H]1NCc1ccc(B(O)O)cc1 585022434 NYYXSNNKMWMZMZ-BXUZGUMPSA-N 262.162 -0.204 50 20 CBGD CC(C)N1C[C@@H](C)[C@@H](NCc2ccc(B(O)O)o2)C1 585030033 DBCSLYLOWBSALD-PWSUYJOCSA-N 266.150 -0.222 50 20 CBGD CCO[C@H]1C[C@H]1NCc1ccc(B(O)O)cc1F 585038672 KEZCZTHLVMSFJY-NEPJUHHUSA-N 253.082 -0.228 50 20 CBGD C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NCB(O)O)CC1=O 585057275 BCDHPWBTYALXGY-JQWIXIFHSA-N 290.128 -0.276 50 20 CBGD CCOCC(=O)NNC(=O)NCCC(=O)NC(C)(C)C 731283298 HGYFRXVGLPMCBJ-UHFFFAOYSA-N 288.348 -0.342 50 20 CBGD NC(=O)C(=O)NN=C1CCOc2ccc(F)cc21 731559932 OPYYKWHEEYARJY-UHFFFAOYSA-N 251.217 -0.086 50 20 CBGD CC(C)C(=O)N1CCCC[C@@H]1C(=O)NNC(=O)CN(C)C 733359398 OJTJQPVQPHDPOS-LLVKDONJSA-N 298.387 -0.268 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H](C)OCCOC 733953861 QJWFUUQSYFVUMF-SECBINFHSA-N 277.321 -0.595 50 20 CBGD CC(C)(NC(=O)O)C(=O)NNC(=O)Cc1cccnc1 736337046 LNSRPBNXPLEFKE-UHFFFAOYSA-N 280.284 -0.182 50 20 CBGD O=C(NNC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCCC1 748249029 BZFVAWVMYYASNT-UHFFFAOYSA-N 296.239 -0.429 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CCS(C)(=O)=O)o1 752824703 XGQPEKAYWFQAQN-UHFFFAOYSA-N 274.298 -0.216 50 20 CBGD COc1ccc(-c2n[nH]cc2C(=O)NNC(=O)CO)cc1 753722538 ZOFSYTROARPHAA-UHFFFAOYSA-N 290.279 -0.161 50 20 CBGD CC1(CC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 757870559 FJERHEIBTRFXNR-MRVPVSSYSA-N 289.357 -0.306 50 20 CBGD CC(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1 759740166 NDZPQNRUUMIEKC-UHFFFAOYSA-N 271.298 -0.295 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@H]2CCCCO2)nn1 772476934 XYXATEPNUVKFNG-MRVPVSSYSA-N 265.273 -0.412 50 20 CBGD C[C@@H](Sc1ccccn1)C(=O)NNC(=O)CO 777781923 IPCSLESVWCSKPN-SSDOTTSWSA-N 255.299 -0.298 50 20 CBGD CCC1(C(=O)NNC(=O)CN(C)C)CCOCC1 779196870 JGIFVNPOSAVNKN-UHFFFAOYSA-N 257.334 -0.098 50 20 CBGD CN1CCN(CC(=O)NNC(=O)NC2CCCC2)CC1=O 780510245 UTDYCCNLEBLJKR-UHFFFAOYSA-N 297.359 -0.967 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CCN(CC(F)(F)F)C1 792083105 HIIGFTVLLSTGLS-ZCFIWIBFSA-N 268.239 -0.169 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](OC)C1CC1 792193049 IDFICDUELZLOKU-SNVBAGLBSA-N 285.344 -0.136 50 20 CBGD O=C(CC1OCCO1)NNC(=O)c1ccncc1 792764361 SCYXHUXLZGPGOG-UHFFFAOYSA-N 251.242 -0.394 50 20 CBGD CO[C@@H](C)CS(=O)(=O)NNC(=O)NC(C)C 800834061 OONPNYUHMSNGHW-ZETCQYMHSA-N 253.324 -0.437 50 20 CBGD COCCCn1nccc1C=NNC(=O)C(=O)NC(C)C 802709344 MFNFQYCHUJTWOF-UHFFFAOYSA-N 295.343 -0.106 50 20 CBGD O=C(Cn1cc(C(=O)O)nn1)NNC(=O)NC1CCCC1 833120873 IHOBDGZAAHPHPD-UHFFFAOYSA-N 296.287 -0.751 50 20 CBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=S)NCC1CCC1 855089708 CPHPOEDKZLCQKH-BDAKNGLRSA-N 284.385 -0.207 50 20 CBGD CS[C@H](C)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858313987 UHWGYALKLZWWPV-RQJHMYQMSA-N 274.346 -0.653 50 20 CBGD COC(=O)COCCNC(=O)/C(C#N)=C\c1cnn(C)c1 862951539 YFPSGDXIWZQTFC-WZUFQYTHSA-N 292.295 -0.367 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)c1cc(B(O)O)ccc1F 863870897 QKNRJKUBGCPZTI-UHFFFAOYSA-N 298.079 -0.325 50 20 CBGD O=C(NCCOC(=O)C1CC1)c1cccc(B(O)O)c1 863881265 OOTCDEOECPXOJS-UHFFFAOYSA-N 277.085 -0.951 50 20 CBGD CC(C)(CCl)CS(=O)(=O)N[C@@H]1COC[C@@H]1O 867587349 UHBSBEGKSHCPQC-SFYZADRCSA-N 271.766 -0.070 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cnn(CC2CC2)c1 867672758 SSGGWXGKPASRJP-UHFFFAOYSA-N 266.301 -0.175 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H]2CN(C(C)=O)C[C@H]2C1 880311792 NQTXZFBDOPPROA-ZMLRMANQSA-N 296.371 -0.658 50 20 CBGD C#CCCCC(=O)NNC(=O)CN1CSCC1=O 887139631 XCEILVUNLOFUQH-UHFFFAOYSA-N 269.326 -0.530 50 20 CBGD CO[C@]1(C(=O)NN=c2cc[nH]c(C)c2)CCS(=O)(=O)C1 899127011 ARDKKOVMYKYMMW-GFCCVEGCSA-N 299.352 -0.541 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)c2ccncc2)CC1=O 906308316 ACMXXLLYQPSAHE-JTQLQIEISA-N 276.296 -0.289 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1COCCN1CC(F)F 910160863 OZCFEWUJNFZANG-RKDXNWHRSA-N 281.303 -0.704 50 20 CBGD C[C@H](O)CN(C)NC(=O)CN1C(=O)COc2ccccc21 910177052 IRBGZSJIQUXYEV-JTQLQIEISA-N 293.323 -0.244 50 20 CBGD CC(C)C(=O)NNC(=O)[C@]12CCC(=O)N1CCS2 913161441 LECFHTFHLNXNRZ-LLVKDONJSA-N 271.342 -0.145 50 20 CBGD C[C@H](CNC(=O)NNC(=O)C(=O)NC1CC1)C1CC1 920054471 QAEODGLYPYRTSN-SSDOTTSWSA-N 268.317 -0.359 50 20 CBGD O=C(CO[C@@H]1CCOC1)NNC(=O)c1ccncc1 1116205099 NTHJSHXZUGAKGQ-SNVBAGLBSA-N 265.269 -0.352 50 20 CBGD COCCCNC(=O)NNC(=O)CCCC(N)=O 1116827816 NWOPOXLELRJJSZ-UHFFFAOYSA-N 260.294 -0.991 50 20 CBGD Cn1ncc(C(=O)NNc2ccc(-n3ccnc3)nn2)c1N 1117277241 BWQJDDOJPWLOPW-UHFFFAOYSA-N 299.298 -0.265 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)[C@@](C)(OC)C1CC1 1117946584 ZDNWHPBRGALGMF-JVXZTZIISA-N 287.316 -0.307 50 20 CBGD O=C(NNC(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1)c1cn[nH]c1 1118865305 ZYTPHOJFIZHTKN-LMLFDSFASA-N 289.295 -0.351 50 20 CBGD C[S@](=O)c1ccc(NC(=O)NNC(=O)CCO)cc1 1320228234 NCXPWRTZKGKMBC-IBGZPJMESA-N 285.325 -0.041 50 20 CBGD Cc1nnc(NNC(=O)CO[C@H]2CCOC2)nc1O 1323511378 MVEWDGJSBKOIGM-ZETCQYMHSA-N 269.261 -0.866 50 20 CBGD CC(=NN(C)C(N)=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1323991647 QMKKDGKJDODBNS-UHFFFAOYSA-N 275.268 -0.049 50 20 CBGD Cc1c(S(=O)(=O)NNC(=O)c2cnn(C)c2)cnn1C 1324101956 NFEKWSBYCGRWHW-UHFFFAOYSA-N 298.328 -0.915 50 20 CBGD CN(C)C(=O)NNC(=O)CCc1nc(N(C)C)no1 1324262910 UAHBAQAPQOAUKA-UHFFFAOYSA-N 270.293 -0.629 50 20 CBGD Cn1cc(C(=O)NNC(=O)C(=O)NC2CC2)c(C2CC2)n1 1326340238 MQQNDLYVSZFXSZ-UHFFFAOYSA-N 291.311 -0.663 50 20 CBGD CCOCCC=NNC(=O)Cc1cc(O)nc(O)n1 1326710078 RGHCMXFUCAXRBO-UHFFFAOYSA-N 268.273 -0.041 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCc2cncn2C1 1328087428 YLVVJOGXCFNWNH-VIFPVBQESA-N 293.327 -0.883 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CCn2cncc2C1 1329806240 JBILDEHLJNVTJT-JTQLQIEISA-N 252.318 -0.209 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cn(C)nn1 1332574828 XPLMYTRZHSVRIZ-CBAPKCEASA-N 282.304 -0.930 50 20 CBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cncc(OC)n1 1332595399 IIIAFLSBTIVWNZ-SSDOTTSWSA-N 295.299 -0.383 50 20 CBGD Cn1cnc(C(=O)NNC(=O)C2CCOCC2)n1 1333149699 SFPUSCHUBLPPJJ-UHFFFAOYSA-N 253.262 -0.997 50 20 CBGD CC(=O)NNC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 1338502256 VQHQPJRUQRSQDI-NXEZZACHSA-N 278.268 -0.876 50 20 CBGD O=C(CC1(O)CCC1)NNC(=O)C1CCOCC1 1349788079 QXDHPHPLXWNCFL-UHFFFAOYSA-N 256.302 -0.135 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)N[C@@H]3CCNC3)nc21 1351547159 YNIANSUVQYGTKY-ZCFIWIBFSA-N 292.303 -0.943 50 20 CBGD CC(C)(C)C(=O)NCC(=O)N1CC[C@H](B(O)O)C1 1351727762 AHRPHULOPUSTDB-QMMMGPOBSA-N 256.111 -0.776 50 20 CBGD CC(C)(N)CCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 1575353782 CVKLTBAXUAWYKA-LLVKDONJSA-N 292.405 -0.505 50 20 CBGD O=C(CCn1cnnn1)NNc1cccc(C(=O)O)c1 1601301104 XWKLXCYQXOSSTH-UHFFFAOYSA-N 276.256 -0.095 50 20 CBGD O=C(CN1CCC[C@@H](C(=O)O)C1=O)NNc1cccnn1 1601313607 VLMYSYROQKBOEC-MRVPVSSYSA-N 293.283 -0.757 50 20 CBGD O=C(NCCc1ccncc1)NNC(=O)C(=O)O 1601513261 MDXCHFINGHPDSX-UHFFFAOYSA-N 252.230 -0.961 50 20 CBGD C[C@@H](CC(=O)O)CC(=O)NNC(=O)[C@@H]1COCCO1 1604105693 BRBWDJUFJMEWLE-SFYZADRCSA-N 274.273 -0.950 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H](C(=O)O)C1CC1 1605708538 FUVBNYHRWWOUID-SECBINFHSA-N 266.257 -0.790 50 20 CBGD COC(=O)NNC(=O)[C@H]1CC[C@@H](CCC(=O)O)O1 1606494514 CCKPJJJDMRYPKM-NKWVEPMBSA-N 260.246 -0.214 50 20 CBGD C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2 1783049141 QHXNBZVGSLEKRM-CMPLNLGQSA-N 288.706 -0.016 50 20 CBGD Cn1c(=O)ccn(CC(=O)NNc2cccc(F)c2)c1=O 154350635 HKQKSPDOTWMWIN-UHFFFAOYSA-N 292.270 -0.171 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1C[C@@H]1C1CC1 177654980 HFNICQYDNDOOMQ-BDAKNGLRSA-N 253.302 -0.296 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 263894514 OVEVKMGDNFXNLC-UHFFFAOYSA-N 299.352 -0.587 50 20 CBGD Cn1cccc1C(=O)NNC(=O)C(C)(C)S(C)(=O)=O 265047939 RHZOPNNEWDGONK-UHFFFAOYSA-N 287.341 -0.391 50 20 CBGD Cc1cc(C)nc(NNC(=O)CNC(=O)[C@@H](N)C(C)C)n1 271095616 LCNYRULAHTXVRU-NSHDSACASA-N 294.359 -0.364 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)NCC(F)(F)F)C1 280899961 DQTQULYODVGIBQ-UHFFFAOYSA-N 282.222 -0.643 50 20 CBGD CC[C@@](C)(NS(=O)(=O)CBr)C(N)=O 308201594 VOHDUOJZUVPRIV-ZCFIWIBFSA-N 273.152 -0.088 50 20 CBGD CC(C)[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)CCO1 584972547 ZWFVRYWTNWGSPW-CYBMUJFWSA-N 277.129 -0.137 50 20 CBGD CO[C@H](C)CN(C)C(=O)c1cccc(B(O)O)c1 584988990 HZCKQGWPJQCWJB-SECBINFHSA-N 251.091 -0.527 50 20 CBGD C[S@](=O)C1(CNCc2ccc(B(O)O)cc2)CCC1 585038829 ITYWURMZPKCRQI-IBGZPJMESA-N 281.186 -0.243 50 20 CBGD O=C(CN1CC[C@@H](c2ccccc2)NC1=O)NCB(O)O 585062212 DHGSUMHWSQUKJY-NSHDSACASA-N 291.116 -0.729 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cc[nH]c1 731625568 NKMNTSBYUOYTMK-UHFFFAOYSA-N 276.252 -0.201 50 20 CBGD O=C(NNC(=O)c1cc(O)cs1)C(=O)N1CCCC1 732279309 IJSWZFHEZFGECH-UHFFFAOYSA-N 283.309 -0.163 50 20 CBGD CCOC(=O)[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 733193861 GHTBWXDBOVNQML-LLVKDONJSA-N 297.355 -0.181 50 20 CBGD COC(=O)C[C@@H]1CCCCN1CC(=O)NNC(=O)C1CC1 733194229 CBBLDSRBSQBOTC-NSHDSACASA-N 297.355 -0.039 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCNC(=O)O 738335738 WMEDVVQOXNTZJL-UHFFFAOYSA-N 255.234 -0.863 50 20 CBGD CS(=O)(=O)NCCC(=O)NNc1cccc(C#N)c1 748049862 JUJUFSBXGMFLRG-UHFFFAOYSA-N 282.325 -0.059 50 20 CBGD O=C(CO)NNC(=O)Cn1cccc(C(F)(F)F)c1=O 753438877 HDWJKBNBMQIODI-UHFFFAOYSA-N 293.201 -0.993 50 20 CBGD CC(C)Nc1ccc(C(=O)NNC(=O)CO)cn1 753440541 UEGNLEGCSDACSQ-UHFFFAOYSA-N 252.274 -0.345 50 20 CBGD CC(C)[C@H](C(=O)NNC(=O)CO)N1C[C@H](C)O[C@H](C)C1 753444525 NCPIOIVHAXVBMN-JFGNBEQYSA-N 287.360 -0.740 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=O)c1ccc(Cl)nc1 754987363 LPESNPCXOCQWRX-LLVKDONJSA-N 287.703 -0.107 50 20 CBGD NC(=O)c1ccc(NNC(=O)CC[C@H]2CCCO2)nn1 757404267 OAEXIYJPODBGAI-MRVPVSSYSA-N 279.300 -0.022 50 20 CBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)NC1CC1 761147217 LYMODUZSZGUXBY-UHFFFAOYSA-N 292.361 -0.801 50 20 CBGD CNc1nc(C(=O)NNC(=O)C(=O)N2CCCC2)cs1 762233038 AGTQZSWNDHSDEH-UHFFFAOYSA-N 297.340 -0.432 50 20 CBGD NC(=O)NC1(C(=O)NNC(=O)c2ccccc2)CC1 767188695 XLBQBSUEFVGUTP-UHFFFAOYSA-N 262.269 -0.352 50 20 CBGD CN(C)C1(CNC(=O)NNC(=O)C(=O)NC2CC2)CCC1 783004796 KZHNTAVFJDMBIQ-UHFFFAOYSA-N 297.359 -0.920 50 20 CBGD CCNC(=O)NNC(=O)Cc1ccccc1S(C)(=O)=O 785956276 QUUZXGKKFGEKEI-UHFFFAOYSA-N 299.352 -0.017 50 20 CBGD CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 796752703 VJUITCKMXOELEJ-LLVKDONJSA-N 294.263 -0.463 50 20 CBGD Cn1ncc2c1C[C@@H](C(=O)NNC(=O)C(C)(C)O)CC2 798997678 KPCCOPAPCMRYDJ-QMMMGPOBSA-N 280.328 -0.557 50 20 CBGD NC(=O)NC1(C(=O)NNc2ncccc2F)CC1 804218461 UYHRRNPJEWRFIZ-UHFFFAOYSA-N 253.237 -0.135 50 20 CBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)c1ccccn1 816808486 PGHXNVLYJQFRMD-YUMQZZPRSA-N 262.269 -0.646 50 20 CBGD CNC(=O)NNC(=O)Cc1cccc(-c2nn[nH]n2)c1 821634156 UMCQLKSAFFGIOQ-UHFFFAOYSA-N 275.272 -0.631 50 20 CBGD CCCCS(=O)(=O)CC(=O)NN(C)C(=S)NC 822547759 PFPXVIFNJJNURJ-UHFFFAOYSA-N 281.403 -0.331 50 20 CBGD COc1nccnc1NNC(=O)[C@H]1CCCS1(=O)=O 848226156 QYIJHMILFXITLT-SSDOTTSWSA-N 286.313 -0.495 50 20 CBGD NC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)c2cc[nH]n2)C1 855356188 HYIVWZKPVDUUJZ-JGVFFNPUSA-N 279.300 -0.538 50 20 CBGD O=C(NNc1ncc(Cl)cn1)[C@H]1CCS(=O)(=O)N1 857358738 HCELIUKBBFSPIH-ZCFIWIBFSA-N 291.720 -0.735 50 20 CBGD O=C(NCc1ccco1)NNC(=O)[C@@H]1CCOC(=O)N1 858782563 UESKCCFZLPJLGE-QMMMGPOBSA-N 282.256 -0.392 50 20 CBGD Cc1nc(C)c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 862450105 OCMRPAMWALVMJI-ZETCQYMHSA-N 282.325 -0.200 50 20 CBGD CCOCC1(C(=O)NNC(=O)c2cn[nH]c2)CC1 862470035 HYFLVGZDVRDCAI-UHFFFAOYSA-N 252.274 -0.013 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CCc1cccs1 863459726 RKUXUFNMYRSKCZ-UHFFFAOYSA-N 290.366 -0.127 50 20 CBGD CCC(=O)NNS(=O)(=O)C[C@]1(OC(C)C)CCOC1 872331953 BRLILEXDOWXZKN-NSHDSACASA-N 294.373 -0.069 50 20 CBGD CON(C)C(=O)[C@@H](C)NS(=O)(=O)CCCCl 882466547 DYQDQFVHGZSWKU-SSDOTTSWSA-N 272.754 -0.057 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)[C@@H]1CCC[C@H]1O 886480371 UCESDHMHUOBMBS-IVZWLZJFSA-N 257.334 -0.223 50 20 CBGD O=C(C[C@@H]1CCCO1)NNC(=O)CN1CCCC1=O 920433507 UPKQBUKBCVYMTA-VIFPVBQESA-N 269.301 -0.675 50 20 CBGD CCOCCCCNC(=O)NNC(=O)C(=O)NC1CC1 1115870934 KMQAEEMYDLXWHE-UHFFFAOYSA-N 286.332 -0.588 50 20 CBGD Cc1ncncc1C(=O)NNC(=O)C(=O)N1CCCC1 1115925297 HAWFIZLBQRNTCI-UHFFFAOYSA-N 277.284 -0.832 50 20 CBGD CSCCNC(=S)NNC(=O)Cn1cnc(C#N)n1 1116482841 MBVMSIODDMJKGH-UHFFFAOYSA-N 299.385 -0.992 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccnc1 1116620350 AGANCZAWTAQCDW-UHFFFAOYSA-N 266.257 -0.796 50 20 CBGD CNS(=O)(=O)c1ccc(C(=O)NNc2ccn(C)n2)o1 1116852680 QMAAMLZSPPYZCW-UHFFFAOYSA-N 299.312 -0.322 50 20 CBGD CON=CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1117717557 OXIAFYZFPZIXFQ-MRVPVSSYSA-N 263.319 -0.889 50 20 CBGD O=C(CCl)NCCS(=O)(=O)C1CCOCC1 1118493029 QRUXDVPCCLTVFO-UHFFFAOYSA-N 269.750 -0.065 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cnoc1C1CC1 1319340759 IAGCJHKQBRTOTR-UHFFFAOYSA-N 280.284 -0.162 50 20 CBGD Cn1ccc(C(=O)NNC(=O)C(=O)NC2CC2)c1 1319363583 DMDBCNDVMONUAM-UHFFFAOYSA-N 250.258 -0.935 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(F)nc1 1320240967 NKZQHHXULORTPR-UHFFFAOYSA-N 284.247 -0.657 50 20 CBGD COC(=O)C1(CNC(=O)NNC(=O)c2cnn(C)c2)CC1 1320565655 LBVIVHCDDOZXCA-UHFFFAOYSA-N 295.299 -0.683 50 20 CBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C)nn1C 1323944793 MQXHLKQVCJKLKP-SSDOTTSWSA-N 281.316 -0.139 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cc3n(n2)CCO3)cn1 1324048015 NUVSZYXKZNPDAH-UHFFFAOYSA-N 276.256 -0.916 50 20 CBGD CC(=O)C1(C(=O)NNc2nc(O)c3cnn(C)c3n2)CC1 1324458521 TYBKTGKLLHNHIP-UHFFFAOYSA-N 290.283 -0.119 50 20 CBGD CC(F)(F)C(=O)NNC(=O)C(=O)Nc1ccccn1 1324531918 HRXGXVOVFOMBAT-UHFFFAOYSA-N 272.211 -0.177 50 20 CBGD Cn1cc(/C=C(\C#N)c2ccncn2)c(=O)n(C)c1=O 1325381853 DFADBMUACXTONT-WEVVVXLNSA-N 269.264 -0.062 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccnn1C(C)C 1325519749 OAFWSOFHXIHVSF-UHFFFAOYSA-N 283.288 -0.804 50 20 CBGD Cc1nc(Cn2cc(C(=O)NN(C)C3CC3)nn2)no1 1325885591 VKXYVXVSYZWMGE-UHFFFAOYSA-N 277.288 -0.243 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnc(O)c1 1329547762 NDKVXHYBYMGXRB-CBAPKCEASA-N 265.269 -0.027 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)c1cc[nH]n1 1331248423 WWYLEYLAQYMMKZ-SSDOTTSWSA-N 275.272 -0.975 50 20 CBGD CN(CC1=CCCOC1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1331531173 HGZSEFQGKGUHCA-SNVBAGLBSA-N 296.327 -0.716 50 20 CBGD CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1337369853 MKHNLOBULCUJCM-IWSPIJDZSA-N 269.301 -0.773 50 20 CBGD O=C(N[C@@H]1CN2CCC1CC2)c1cc(B(O)O)ccc1F 1337410622 SACRFMMLCXGUBS-CYBMUJFWSA-N 292.119 -0.671 50 20 CBGD N#CC1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCC1 1348480564 ZJGLDXIAZSPOKS-SSDOTTSWSA-N 250.258 -0.894 50 20 CBGD CO[C@@H]1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)[C@@H](C)C1 1351352749 LZCRWLHFXWYWQB-IVZWLZJFSA-N 298.343 -0.495 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H](C)[C@@H]1CCC(=O)N1 1351591014 GZCKJYXNRHNQGF-RQJHMYQMSA-N 258.347 -0.632 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc(CN)nc1 1576903447 JTBOABWZNWCAJS-CBAPKCEASA-N 279.300 -0.879 50 20 CBGD C[C@H](NC(=O)NNC(=O)C(=O)O)c1c(F)cncc1F 1593102055 OJNCGDOVHQGWTR-BYPYZUCNSA-N 288.210 -0.164 50 20 CBGD COc1cccc(NNC(=O)[C@H](OC)C(=O)O)n1 1594131873 SITPRCXTVBJYJN-QMMMGPOBSA-N 255.230 -0.367 50 20 CBGD CC(C)[C@@H](NC(=O)NNC(=O)C(=O)O)c1cnn(C)c1 1603733912 XRYYSJUDCDPYJL-MRVPVSSYSA-N 283.288 -0.468 50 20 CBGD Cc1nc(C(=O)NN(C)C[C@@H](C)O)ccc1-c1nn[nH]n1 1606029828 ZUAMGMPZURLBEJ-SSDOTTSWSA-N 291.315 -0.472 50 20 CBGD CCCN1CCC[C@H]1CNC(=O)NNC(=O)C(=O)O 1609979464 YSXZEARWTRGSCT-QMMMGPOBSA-N 272.305 -0.724 50 20 CBGD CN(CCCNC(=O)NNC(=O)C(=O)O)c1ccccc1 1610116487 PHIFCTNNFYZONO-UHFFFAOYSA-N 294.311 -0.072 50 20 CBGD O=C(O)C(=O)NN=Cc1cnc(C2OCCO2)s1 1610714695 ZBWZKVCILWFHEA-UHFFFAOYSA-N 271.254 -0.277 50 20 CBGD O=C(NN[C@@H]1CCS(=O)(=O)C1)Nc1ccccn1 49027440 JTGYHOKFXXOVLI-MRVPVSSYSA-N 270.314 -0.105 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)CN2CC[C@H](O)C2)c1 72632488 SAOUVIWRVZIMLU-LBPRGKRZSA-N 288.307 -0.614 50 20 CBGD CN1CCO[C@H](C(=O)NNc2nccnc2Cl)C1 125033694 OAPTVUYNYPZRLR-ZETCQYMHSA-N 271.708 -0.096 50 20 CBGD CN(C)C[C@](C)(O)CNS(=O)(=O)CCCCl 228034313 LFBYXZCSQNUVKH-SECBINFHSA-N 272.798 -0.153 50 20 CBGD CN1C[C@H](NC(=O)NNC(=O)Cc2cccnc2)CC1=O 267716338 SPAKPHKLTYBUOJ-SNVBAGLBSA-N 291.311 -0.815 50 20 CBGD CN(C)C(=O)CNC(=O)C(=O)NN(C)c1ccccc1 275745127 XEPODNFLESAFRN-UHFFFAOYSA-N 278.312 -0.642 50 20 CBGD C[C@H](O)C(=O)NNC(=O)CCOc1ccccc1 276050688 AAJYVRVOBYLESC-VIFPVBQESA-N 252.270 -0.016 50 20 CBGD COc1cc(C)nc(NNC(=O)NCc2cnnn2C)n1 288938740 ZPFGEXYUCLNSQX-UHFFFAOYSA-N 292.303 -0.252 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H]1CN2CCCN1CC2 375986091 RHGXUSQHBYZRLI-VIFPVBQESA-N 256.306 -0.894 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1CC(=O)N(C2CC2)C1 405005822 PEKYSNPTGYJIIP-SECBINFHSA-N 288.112 -0.684 50 20 CBGD C[C@H](CC#N)NC(=O)c1ccc(B(O)O)c(F)c1 584944385 LFEOXSYRWRZNGH-SSDOTTSWSA-N 250.038 -0.463 50 20 CBGD COCCCN(C)CCNC(=O)c1ccc(B(O)O)cc1 584950219 HXRFCLOVPDGDBA-UHFFFAOYSA-N 294.160 -0.936 50 20 CBGD C[C@@H](O)C(C)(C)NC(=O)c1ccc(B(O)O)c(F)c1 584969228 KJBQCZKWIRPKHQ-SSDOTTSWSA-N 269.081 -0.605 50 20 CBGD OB(O)c1ccc(CNCCOC[C@H]2CCOC2)c(F)c1 585020165 OVBQFEDFVHGYTC-NSHDSACASA-N 297.135 -0.352 50 20 CBGD C[C@@H]1C[C@H](NCc2ccc(B(O)O)cc2)CCN1C 585027481 UWTBQAYLWMDCJA-BXUZGUMPSA-N 262.162 -0.061 50 20 CBGD C[S@@](=O)CCCNCc1ccc(B(O)O)cc1F 585029771 UHLUXLXKPGUVLN-GOSISDBHSA-N 273.138 -0.636 50 20 CBGD CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](B(O)O)C1 585067960 WNJMYCPDNCXWFL-MNOVXSKESA-N 270.138 -0.388 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@@H]1CCC(=O)N1 726077504 XXJYYBVFZHKFIG-QMMMGPOBSA-N 288.373 -0.861 50 20 CBGD CN(C)CCCNC(=O)NNC(=O)Cc1cccnc1 729041638 VZYBTJRRZZNZLQ-UHFFFAOYSA-N 279.344 -0.094 50 20 CBGD CC(C)C(=O)NNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 729503042 CMMQUBKCPXLFPK-GHMZBOCLSA-N 284.360 -0.164 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@H]1CCCCO1 731284529 YUGSRUWGXRMFDL-SECBINFHSA-N 259.306 -0.078 50 20 CBGD Cc1cc(NNC(=O)CN(C)S(C)(=O)=O)ncn1 734256292 BUCSBRAPDALFNY-UHFFFAOYSA-N 273.318 -0.880 50 20 CBGD O=C(NCc1nnnn1C1CC1)NNc1ncccn1 745910933 WKRIAWVWHLFRID-UHFFFAOYSA-N 275.276 -0.376 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)CN1CCCCC1=O 747323097 IVXQHMVYXYIODV-UHFFFAOYSA-N 290.323 -0.216 50 20 CBGD CCN(CC)CCC(=O)NN=Cc1cnnn1C 751133333 DKVNLTMXAZAJCA-UHFFFAOYSA-N 252.322 -0.003 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@@]1(C)CCCO1 756083018 CBCFAQKHXBCXKN-LLVKDONJSA-N 259.306 -0.078 50 20 CBGD O=C(NN=C1CCN2CCC[C@@H]12)C(=O)N1CCCC1 765573228 ZHRVIMUWLQWVKL-NSHDSACASA-N 264.329 -0.051 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H](O)CCc1ccccc1 768245974 GTMLKJWUMKHYTB-LLVKDONJSA-N 280.324 -0.102 50 20 CBGD COC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)C(C)(C)O)C1 768258968 BTIZPPSMVKJMDZ-BDAKNGLRSA-N 286.328 -0.116 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CNC(=O)Cc1ccccc1 768262022 QTEMMXBQYGHCSE-UHFFFAOYSA-N 293.323 -0.736 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C)[nH]n1 772033837 CRHDVLGXCLRWLY-ZETCQYMHSA-N 268.273 -0.179 50 20 CBGD CCOCCONC(=O)NNC(=O)Cc1ccncc1 773514849 PFHHTEPFPOYJJX-UHFFFAOYSA-N 282.300 -0.077 50 20 CBGD O=C(CO)NNC(=O)c1ccc(O)c([N+](=O)[O-])c1 776188773 LVWJYEZEZRWBQV-UHFFFAOYSA-N 255.186 -0.946 50 20 CBGD C[C@H](O)C(=O)NNc1cccc(S(C)(=O)=O)c1 776714480 GMXQYNFRHFAHDT-ZETCQYMHSA-N 258.299 -0.086 50 20 CBGD O=C(CO)NNC(=O)c1cccc2c1OCCO2 777782750 MLNPZSBOCFISBM-UHFFFAOYSA-N 252.226 -0.789 50 20 CBGD COCCn1cc(C=NNC(=O)C(C)(C)O)cn1 785460250 JFQGZJSANCTNOC-UHFFFAOYSA-N 254.290 -0.250 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cccc(O)c1O 790663696 VDOWPBYAOXYHGC-UHFFFAOYSA-N 276.252 -0.175 50 20 CBGD COC(=O)COCC(=O)NNC(=O)c1cccc(C#N)c1 806790535 JCLPWENQHLMBJO-UHFFFAOYSA-N 291.263 -0.491 50 20 CBGD O=C(Cn1c(=O)cnc2ccccc21)NNc1nc[nH]n1 816632332 DFSZEPCAGSYFIG-UHFFFAOYSA-N 285.267 -0.342 50 20 CBGD Cn1nncc1NNC(=O)CNC(=O)C1CCCCC1 816769693 RPDCIOZHUQPELS-UHFFFAOYSA-N 280.332 -0.045 50 20 CBGD O=C1C[C@@H](C(=O)NNC(=S)NCCc2cccs2)N1 820164407 AEJXDWKODPDPLU-QMMMGPOBSA-N 298.393 -0.326 50 20 CBGD CCNC(=O)NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 821294850 YXPVPFZPCXJBMF-UHFFFAOYSA-N 264.249 -0.841 50 20 CBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 823475248 PFFDSLPMSWIAIT-UTINFBMNSA-N 284.312 -0.242 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCO[C@H](C)[C@H]1C 828061440 BZLMEMOKMFXHHG-NXEZZACHSA-N 257.334 -0.101 50 20 CBGD COC[C@H](OC)C(=O)NNC(=S)NCCSC 831575592 PNJFNZHSIJSFAV-ZETCQYMHSA-N 281.403 -0.494 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)[C@H]3C[C@@H]3C(=O)O)nc21 833061294 CELDWLJMXGFMMB-WHFBIAKZSA-N 292.255 -0.767 50 20 CBGD CC(=NNC(=O)N1CCN(C)CC1)c1cnn(C)n1 834972024 CEKQEXUGCSXLGC-UHFFFAOYSA-N 265.321 -0.504 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCN1CCOCC1 843976476 YMYDYINTVSDBCA-GHMZBOCLSA-N 285.344 -0.719 50 20 CBGD CC(C)C(=O)NNC(=O)[C@@H]1CCc2nnnn2CC1 845084052 GFSDNSHGOUEQSL-MRVPVSSYSA-N 266.305 -0.571 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)nc1 847616183 KOOWPXBVLKOUHD-DTWKUNHWSA-N 292.295 -0.177 50 20 CBGD CO[C@@H](C)CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 852393702 HTHQTZLVBQBAFO-XHNCKOQMSA-N 259.306 -0.223 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=O)c1cccn1C 854288013 SMMVMUDYQCDCQC-SECBINFHSA-N 255.274 -0.553 50 20 CBGD CNC(=S)N(C)NC(=O)CS(=O)(=O)C1CCCC1 854925363 FIFNPNGVUZJJPE-UHFFFAOYSA-N 293.414 -0.189 50 20 CBGD O=C(NNC(=O)c1cnc2n1CCC2)c1ncccn1 854952152 HGDYRUOOPUPYRT-UHFFFAOYSA-N 272.268 -0.306 50 20 CBGD O=C(NNc1ncc(Cl)cn1)[C@H]1COCCO1 857356196 WMGBEMWUAKVPEO-SSDOTTSWSA-N 258.665 -0.012 50 20 CBGD Cc1nn(CC(=O)NNc2ncc(Cl)cn2)c(=O)n1C 857359136 SBGBWIFISPGPED-UHFFFAOYSA-N 297.706 -0.523 50 20 CBGD C#C[C@@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(C)(C)C 858463212 WMWKINHKNGVXIS-RKDXNWHRSA-N 280.328 -0.357 50 20 CBGD C[C@H]1N(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCOC1(C)C 858696190 KMQWKIKCPYILOH-RKDXNWHRSA-N 298.343 -0.495 50 20 CBGD C#CC[C@H](CCOC)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858701926 SNCDSBJYAMOYJK-NXEZZACHSA-N 296.327 -0.976 50 20 CBGD Cc1ccc(NNC(=O)NCCOCCCN)nn1 861691960 RUXVUMSOLBZYCI-UHFFFAOYSA-N 268.321 -0.223 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc(F)cc2O)N1 862457657 NOFFRDFPUHPNDT-MRVPVSSYSA-N 281.243 -0.429 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)NCCN2CC[C@@H](O)C2)cn1 863318661 SMCXKWSWHXDMCK-XEVNVYFWSA-N 289.339 -0.490 50 20 CBGD Cc1cccc(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 863414082 RCXOGPYXTIVFHY-SNVBAGLBSA-N 297.336 -0.417 50 20 CBGD CC(C)(C#N)CCS(=O)(=O)NNC(=O)c1cn[nH]c1 863414439 WJRJQRWBXWBSTL-UHFFFAOYSA-N 285.329 -0.086 50 20 CBGD C#CCCN1CCN(C(=O)c2cccc(B(O)O)c2)CC1 863874168 NXZNIGBGBGWVGC-UHFFFAOYSA-N 286.140 -0.853 50 20 CBGD COC(=O)[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1C 863880189 QJSQEQWZSFWWKJ-BXKDBHETSA-N 291.112 -0.610 50 20 CBGD CC[C@@]1(NC(=O)c2cccc(B(O)O)c2)CCOC1 867760171 PKSPEUUUUFPPCY-CYBMUJFWSA-N 263.102 -0.335 50 20 CBGD COCCOCC(=O)NN[C@@H](C(=O)OC)C1CC1 871900001 QDSRLQVLJUMMHQ-SNVBAGLBSA-N 260.290 -0.778 50 20 CBGD Cc1nc[nH]c1C(=O)NNC(=O)N1CCOCC1 874248498 XCWVDSWPVULINW-UHFFFAOYSA-N 253.262 -0.595 50 20 CBGD C#CCOCCC(=O)NNC(=O)C1CCOCC1 883066984 PTJMGSJTZMILMJ-UHFFFAOYSA-N 254.286 -0.400 50 20 CBGD C=CC(=O)N(CC)CC(=O)NNC(=O)Cc1ccncc1 900934172 OLNQTQOXBXWKDT-UHFFFAOYSA-N 290.323 -0.194 50 20 CBGD CCN(CCO)NC(=O)c1nc(OC)cc(OC)n1 911442588 CGCNKDNKRDFCEL-UHFFFAOYSA-N 270.289 -0.547 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCCC1 920299322 ACNRDPFZWZFPQR-ZETCQYMHSA-N 277.346 -0.738 50 20 CBGD CN(C)CCn1nccc1C(=O)NNc1cccnn1 1119629058 WBWJVQADQKMMPL-UHFFFAOYSA-N 275.316 -0.008 50 20 CBGD CN1CCCC[C@H]1CNC(=O)NNC(=O)c1ncccn1 1122032677 FJETXYVFXCTUCL-JTQLQIEISA-N 292.343 -0.095 50 20 CBGD CNC(=O)C1(C(=O)NNC(=S)NC(C)C)CC1 1251678333 YPQYMERUUMMRFE-UHFFFAOYSA-N 258.347 -0.584 50 20 CBGD O=C(NNC(=O)C1=COCCO1)C(=O)Nc1ccccn1 1322515657 ANSYPEFAUJFZQO-UHFFFAOYSA-N 292.251 -0.944 50 20 CBGD O=C(c1sccc1-n1cnnn1)N1CC[C@H](B(O)O)C1 1329214269 DKWUBEBBWFLHAC-ZETCQYMHSA-N 293.117 -0.587 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCc2nncn2C1 1333347663 QCLXDWHZJJKHBS-IUCAKERBSA-N 253.306 -0.816 50 20 CBGD CN(NC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21)C(N)=O 1340998728 YBMGQWWTBMYVEV-SECBINFHSA-N 297.336 -0.011 50 20 CBGD COc1ccc(NC(=O)NNC(=O)CCO)cn1 1342572136 CZBHBMTXQFHWFC-UHFFFAOYSA-N 254.246 -0.375 50 20 CBGD C[C@](O)(C(=O)NNC(=O)C(=O)Nc1ccccn1)C1CC1 1346044772 RQWLERKNKNMENR-CYBMUJFWSA-N 292.295 -0.672 50 20 CBGD CN(Cc1nccs1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1348123147 RRNASOQPQZJCRZ-ZETCQYMHSA-N 297.340 -0.406 50 20 CBGD C[C@@H](CC(=O)N1CC[C@@H](B(O)O)C1)n1ccnc1 1348489788 CRBAFECTXVVMCT-VHSXEESVSA-N 251.095 -0.091 50 20 CBGD CCOC(=O)NNC(=O)Nc1cc2n(n1)CCNC2 1578006680 KHSNXKYCXQKYRM-UHFFFAOYSA-N 268.277 -0.231 50 20 CBGD NCC1(CCNC(=O)NNC(=O)C2CCOCC2)CC1 1580244296 VYJLTLSZCIJEPS-UHFFFAOYSA-N 284.360 -0.128 50 20 CBGD C[C@H](CNC(=O)NNC(=O)C(=O)O)c1ccccn1 1592675298 DAQPRFAPTPFXOQ-SSDOTTSWSA-N 266.257 -0.400 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@H]1CC[C@@H](C(=O)O)C1 1594782997 QWVLOPTWYCBXNJ-DTWKUNHWSA-N 285.300 -0.440 50 20 CBGD C[C@@]1(C(=O)NNC(=O)NCCC(=O)O)CCCO1 1603292436 KPRACYRXABVCNM-JTQLQIEISA-N 259.262 -0.639 50 20 CBGD Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](B(O)O)C2)n1 1605560257 RBBJGYPTBXMXDS-SSDOTTSWSA-N 275.081 -0.982 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(F)cc1C(=O)O 1606281830 YUCSGLNCGIFADC-UHFFFAOYSA-N 291.260 -0.354 50 20 CBGD COC[C@@H](NC(=O)NNC(=O)C(=O)O)c1ccc(C)o1 1610251599 UTOVJKUEYUGUTL-SSDOTTSWSA-N 285.256 -0.309 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CCCCN1C(=O)C(C)C 48950868 MUECUVBTMSUQSW-VIFPVBQESA-N 270.333 -0.016 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc(-n2ccnn2)cc1 190052996 FCRNGLFPXMTLJL-UHFFFAOYSA-N 289.295 -0.201 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@]2(C)CCCOC2)cn1 272994086 QXMUABCQFCKKAV-LBPRGKRZSA-N 266.301 -0.002 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCS1(=O)=O)c1ccc[nH]1 274566629 CWSRRXGHJUXLNH-VIFPVBQESA-N 285.325 -0.257 50 20 CBGD CN1CCN(C(=O)NNC(=O)Cc2cccnc2)CC1 278758317 XHOAJZQSNPDVBQ-UHFFFAOYSA-N 277.328 -0.388 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1csc(C(=O)O)c1 299337448 CCICEEXKICXUFK-UHFFFAOYSA-N 293.326 -0.089 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cccc2c1OCCO2 299604847 NKLPQKHICPLEPF-UHFFFAOYSA-N 287.297 -0.420 50 20 CBGD CCCC(=O)NCC(=O)Nc1cccc(B(O)O)c1 584909345 CQXFDZVNVYGOQL-UHFFFAOYSA-N 264.090 -0.779 50 20 CBGD CC(C)[C@@H](O)CC(=O)Nc1cccc(B(O)O)c1 584913610 ZQFJULUKQZGBJO-NSHDSACASA-N 251.091 -0.288 50 20 CBGD O=C(CC(=O)Nc1cccc(B(O)O)c1)NCC1CC1 584914397 WRNFBBQREAOCBR-UHFFFAOYSA-N 276.101 -0.779 50 20 CBGD CN(C[C@H]1CCCO1)C(=O)c1ccc(B(O)O)c(F)c1 584939117 DLJKDZHCPUSTBO-SNVBAGLBSA-N 281.092 -0.244 50 20 CBGD CC(C)n1cnnc1CNC(=O)c1ccc(B(O)O)cc1 584941735 FULZEJUSARTUSY-UHFFFAOYSA-N 288.116 -0.531 50 20 CBGD C[C@H](NC(=O)c1cccc(B(O)O)c1)[C@H](C)n1cncn1 584944529 RGZCELUITZEWPO-UWVGGRQHSA-N 288.116 -0.663 50 20 CBGD COCC[C@@](C)(O)CNC(=O)c1cc(B(O)O)ccc1F 584955867 YILRXDANYMOVNM-CYBMUJFWSA-N 299.107 -0.977 50 20 CBGD C[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584960620 LKPKLYBVSPFQMJ-QMMMGPOBSA-N 251.066 -0.013 50 20 CBGD COC[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)C1CC1 584964195 DPTBDRYJWVQSJQ-LBPRGKRZSA-N 281.092 -0.340 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@H]1C1CC1 584967075 FINXETMHISXTOO-ZDUSSCGKSA-N 275.113 -0.383 50 20 CBGD CN(C(=O)c1ccc(B(O)O)cc1)C1CCC(O)CC1 584977380 PIXDOSYLTAWTLI-UHFFFAOYSA-N 277.129 -0.258 50 20 CBGD CO[C@@H](C)CN(C)C(=O)c1ccc(B(O)O)cc1 584989680 SOCLDNRAWVUGRF-VIFPVBQESA-N 251.091 -0.527 50 20 CBGD C[C@@H]1[C@@H](N(C)C)CCN1C(=O)c1cccc(B(O)O)c1 584993146 UCSQXRWSUAESDD-MFKMUULPSA-N 276.145 -0.469 50 20 CBGD CN(C[C@H]1CCCN1C)C(=O)c1ccc(B(O)O)cc1 584999054 CPLGKFHMSLDSAU-CYBMUJFWSA-N 276.145 -0.467 50 20 CBGD O=C(CNCc1cccc(B(O)O)c1)NC1CCCCC1 585021289 IJEBUHMCBMXIAM-UHFFFAOYSA-N 290.172 -0.095 50 20 CBGD CC[C@@H](C)NC(=O)[C@@H](C)NCc1ccc(B(O)O)cc1 585032290 FDTLSKLAXUSDRN-GHMZBOCLSA-N 278.161 -0.241 50 20 CBGD CCn1nccc1/C=C/C(=O)N1CC[C@H](B(O)O)C1 585064367 FMNFGUIWTFFDPQ-FSIBCCDJSA-N 263.106 -0.009 50 20 CBGD C[C@]1(CO)C[C@H](O)CN1S(=O)(=O)CCCCl 698133870 RIAXXPKTSFYUKZ-DTWKUNHWSA-N 271.766 -0.237 50 20 CBGD CCCNC(=O)NNC(=O)C(C)(C)NS(C)(=O)=O 742054938 WOLQTMHNSWZRAG-UHFFFAOYSA-N 280.350 -0.945 50 20 CBGD Cc1nc(CC(=O)NNC(=O)C(=O)N2CCCC2)cs1 748245987 BQICNRVFPBLYPX-UHFFFAOYSA-N 296.352 -0.236 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C(=O)NC1CC1)C1CCC1 756733755 LGHYTCNGVPRPAT-SSDOTTSWSA-N 268.317 -0.216 50 20 CBGD CN(C)c1nccc(NNC(=O)c2cccc(=O)n2C)n1 764326341 MUXMMEHAMQZVOV-UHFFFAOYSA-N 288.311 -0.002 50 20 CBGD CC(C)CCn1nccc1NC(=O)C(=O)NNC(=O)CO 764429475 SJBYGNMDEIUQOH-UHFFFAOYSA-N 297.315 -0.993 50 20 CBGD COc1nccnc1NNC(=O)[C@H](C)N1CCN(C)CC1 764469986 BCVVAAGTHDRLDP-JTQLQIEISA-N 294.359 -0.436 50 20 CBGD O=C(C[C@@H]1NC(=O)NC1=O)NNc1ccc([N+](=O)[O-])cc1 764693791 MOZUBVHKQNUTKU-QMMMGPOBSA-N 293.239 -0.364 50 20 CBGD CN(C)c1nc(Cl)c(C=NNC(=O)C(N)=O)s1 767033517 MEHNFLSEPNCLLY-UHFFFAOYSA-N 275.721 -0.202 50 20 CBGD COc1nc(C)ccc1C(=O)NNC(=O)C(C)(C)O 768256753 XOTYDLKTPBDEJM-UHFFFAOYSA-N 267.285 -0.069 50 20 CBGD CCOC(=O)/C(C#N)=C/N[C@@H](COC)C(=O)OC 777870045 QXTKFYGHCDKNMV-ORZBULNSSA-N 256.258 -0.265 50 20 CBGD CC(C)Cn1cc(C(=O)NNC(=O)C(=O)NC(C)C)cn1 781934669 SOKPPFUSFRDFAV-UHFFFAOYSA-N 295.343 -0.175 50 20 CBGD O=C(NNC(=O)c1c[nH]nc1[N+](=O)[O-])c1cccnc1 788263768 CNQISBIFSUWGGU-UHFFFAOYSA-N 276.212 -0.212 50 20 CBGD CCCCNC(=O)NNC(=O)CCn1cnccc1=O 794246952 OLBXUQOQGYXHSI-UHFFFAOYSA-N 281.316 -0.236 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCc1ccn(C)n1 795792056 CXPGKSQHPQPLON-SECBINFHSA-N 296.327 -0.158 50 20 CBGD N#CCNC(=O)CNS(=O)(=O)CCCCCl 796218554 VNMGYKSIBGMXCR-UHFFFAOYSA-N 267.738 -0.435 50 20 CBGD CO[C@H](C(=O)NNC(=O)NC1CC1)c1cnn(C)c1 798930981 FPCJQUWBDHPCLM-VIFPVBQESA-N 267.289 -0.400 50 20 CBGD CO[C@@H](C(=O)NNC(=O)C(C)(C)O)c1cnn(C)c1 798997721 LTXCINLSZSJEGX-MRVPVSSYSA-N 270.289 -0.974 50 20 CBGD CCc1oc(C=NNC(=O)C(N)=O)cc1C(=O)OC 800805149 KALIGGBEQOTVMC-UHFFFAOYSA-N 267.241 -0.436 50 20 CBGD Cc1ccc(NCC(=O)NNC(=O)c2ncn(C)n2)cc1 810007637 MRJWYNQPYPBCPE-UHFFFAOYSA-N 288.311 -0.003 50 20 CBGD COCCN(C)NC(=O)c1coc(S(N)(=O)=O)c1 819745280 WFBZYHXMKODCAC-UHFFFAOYSA-N 277.302 -0.850 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCCO1 820936236 IMMHTZSGCWULKL-BDAKNGLRSA-N 269.301 -0.676 50 20 CBGD CCN(CCO)NC(=O)CCCNC(=O)c1cccnc1 823870020 WBLTWRBKVMRPRF-UHFFFAOYSA-N 294.355 -0.063 50 20 CBGD C[C@@H](Cc1cnn(C)c1)C(=O)NN(C)[C@@H](C)CO 823917604 LEQNFDVECHAWLU-UWVGGRQHSA-N 254.334 -0.058 50 20 CBGD O=C(COC(F)(F)F)NNC(=O)c1cccnn1 829341736 IBJOKQXQHJOVME-UHFFFAOYSA-N 264.163 -0.226 50 20 CBGD CCO[C@@H]1COC[C@H]1NC(=O)NNC(=O)C(C)C 836650268 JNQFGNOOWRJVQO-RKDXNWHRSA-N 259.306 -0.223 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1COC(C)(C)C1 841625102 ZYEAUHOLOKRYQR-ZETCQYMHSA-N 277.346 -0.405 50 20 CBGD O=C(COc1ccc(F)cc1)NNC(=O)N[C@H]1CCNC1 841938544 FMMOKAVKTXUFAE-JTQLQIEISA-N 296.302 -0.103 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1ccc(C#N)o1 842589654 KRNPRMZCEJGQDL-CBAPKCEASA-N 299.308 -0.114 50 20 CBGD O=C1NCC[C@@H]1C(=O)NNc1ncc(F)cc1F 854899158 JFECREHTCAKAFJ-LURJTMIESA-N 256.212 -0.061 50 20 CBGD Cn1nncc1NNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 857271552 PVFQMEWEJVUOKU-MRVPVSSYSA-N 280.332 -0.095 50 20 CBGD CCCNC(=O)NNC(=O)[C@@]1(CC)CCNC1=O 865022854 KCHFHZOXYUHXSZ-NSHDSACASA-N 256.306 -0.357 50 20 CBGD Cc1ccn(C[C@@H](C)C(=O)NNC(=O)N2CCOCC2)n1 865046456 KCEJILRTZOJJGR-SNVBAGLBSA-N 295.343 -0.099 50 20 CBGD O=C(NNC(=O)C1(F)CCOCC1)c1cc[nH]n1 869240311 ZGNBESVHZPUPGW-UHFFFAOYSA-N 256.237 -0.311 50 20 CBGD CON(C)C(=O)[C@H](C)NC(=O)NN=c1cc[nH]c(C)c1 875892902 SSJKFFXYRFSSNC-VIFPVBQESA-N 281.316 -0.154 50 20 CBGD CSc1cc(NC(=O)NNC(=O)CN(C)C)ncn1 888956839 ZBCOAPXFQJSUBM-UHFFFAOYSA-N 284.345 -0.087 50 20 CBGD CN(CC(=O)NNC(=S)NC(C)(C)C)S(C)(=O)=O 899992446 XRGISXRTELRTOM-UHFFFAOYSA-N 296.418 -0.828 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CNC(=O)N1CCCC1 910184400 QKIHUKXBXQZABO-SECBINFHSA-N 258.322 -0.864 50 20 CBGD CC[S@](C)(=O)=NC(=O)c1cc(B(O)O)ccc1F 925863827 DWNNIJQKJGVQMC-SFHVURJKSA-N 273.094 -0.237 50 20 CBGD CN(NC(=O)c1cccc(NC(N)=O)c1)C(N)=O 1116451105 OIDSQSAKNSFGSX-UHFFFAOYSA-N 251.246 -0.168 50 20 CBGD CN(C)C(=O)NNC(=O)c1cnc2nccnc2c1 1116595844 BPNKQMXDTFPRQJ-UHFFFAOYSA-N 260.257 -0.059 50 20 CBGD O=C(NNC(=O)C(=O)NCC1CC1)OCC(F)(F)F 1118790660 IPJHPJQUFBOZKH-UHFFFAOYSA-N 283.206 -0.168 50 20 CBGD CCc1nn(C)cc1NC(=O)C(=O)NNC(=O)OC 1325553061 FTQWNVLXCPPHKS-UHFFFAOYSA-N 269.261 -0.692 50 20 CBGD C=CCCn1cc(C(=O)NNC(=O)NCC)nn1 1326598970 JMVSBSRUZYQJBM-UHFFFAOYSA-N 252.278 -0.182 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CCc3cccnc32)N1 1329078964 RUSACDKTFMIGJI-UWVGGRQHSA-N 288.307 -0.463 50 20 CBGD O=C(NN=C1CCCn2ccnc21)[C@H]1CCS(=O)(=O)C1 1329099824 ORBCWXCQNRLYKN-VIFPVBQESA-N 296.352 -0.068 50 20 CBGD CS(=O)(=O)CC(=O)NN=C1CCCn2ccnc21 1330141888 GJFUVMMQTPUAQI-UHFFFAOYSA-N 270.314 -0.458 50 20 CBGD Cc1cnn(C)c1C=NNC(=O)CS(C)(=O)=O 1330142927 OJQACGHWASERLA-UHFFFAOYSA-N 258.303 -0.777 50 20 CBGD C[C@@H](NNC(=O)C1(NC(N)=O)CC1)C(F)(F)F 1331671489 UUUPBZVWOTZJEG-SCSAIBSYSA-N 254.212 -0.241 50 20 CBGD CO[C@@H](C(=O)NNc1nccn(C)c1=O)c1cnn(C)c1 1339844748 WTOCFGHTVSLJMF-SECBINFHSA-N 292.299 -0.655 50 20 CBGD O=C(NNC(=O)[C@@]1(F)CCOC1)N1CCOCC1 1347477878 CJAABCKMTFZARM-SNVBAGLBSA-N 261.253 -0.812 50 20 CBGD C[C@@]1(CNC(=O)C(=O)NCCN)C[C@@H]1Br 1347977483 GZKLYRAZQYVDQU-RCOVLWMOSA-N 278.150 -0.649 50 20 CBGD Cn1cnc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c1 1549321359 RUDBUHSGMUNQLV-NWDGAFQWSA-N 277.328 -0.267 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2C[C@H](N)C2(C)C)n[nH]1 1579565215 DNBFQBRCGJMIOI-APPZFPTMSA-N 265.317 -0.147 50 20 CBGD C=C(CCC(=O)O)C(=O)NNC(=O)CN1CCCC1=O 1588630344 ISICWHOFPIFGSI-UHFFFAOYSA-N 283.284 -0.823 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(C(=O)O)nc1 1593692397 WGZBBSUSVTYUGG-UHFFFAOYSA-N 266.257 -0.898 50 20 CBGD O=C(NNC(=O)[C@H](C(=O)O)C1CC1)c1cc[nH]n1 1594779018 IMBBRNVSHMQCLD-SSDOTTSWSA-N 252.230 -0.719 50 20 CBGD O=C(O)COCC(=O)NNC(=O)Cc1ccc(F)cc1 1595106998 HTTTXHROWWXURM-UHFFFAOYSA-N 284.243 -0.383 50 20 CBGD O=C(NC[C@H]1C[C@H]1C(=O)O)NNC(=O)C1CCC1 1601527659 IJTADNCYVNTVAD-HTQZYQBOSA-N 255.274 -0.162 50 20 CBGD COC(OC)C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1605013521 ZNCPIGFHKGTBFJ-UHFFFAOYSA-N 279.260 -0.676 50 20 CBGD CNC(=S)N(C)NC(=O)c1cc(C(=O)O)ccn1 1606292298 HCUHTPHBKBXOKH-UHFFFAOYSA-N 268.298 -0.139 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCSCC(=O)O)n[nH]1 1607580801 YLRFKRZHXCACHQ-UHFFFAOYSA-N 286.313 -0.313 50 20 CBGD CC(C)C(=O)NNS(=O)(=O)CC(C)(C)C(=O)O 1609682836 PQDLEVQCOMPZFW-UHFFFAOYSA-N 266.319 -0.296 50 20 CBGD CNC(=O)NNC(=O)CCNC(=O)c1ccsc1 48949611 XERBICOYSLYGRM-UHFFFAOYSA-N 270.314 -0.172 50 20 CBGD O=C(Cc1c(F)cccc1F)NNC(=O)C(=O)NC1CC1 87005835 JIRBDGQTOOYIRR-UHFFFAOYSA-N 297.261 -0.067 50 20 CBGD CN1CCO[C@@H](C(=O)NNc2nccnc2Cl)C1 125033914 OAPTVUYNYPZRLR-SSDOTTSWSA-N 271.708 -0.096 50 20 CBGD COC(=O)N(C)CCCC(=O)NNC(=O)c1cnn(C)c1 265341223 RBBOWILKHRGFDO-UHFFFAOYSA-N 297.315 -0.341 50 20 CBGD CN1CCO[C@@H](C(=O)NNc2ncccc2F)C1 286012500 PCZIPAMRJMKYSJ-SECBINFHSA-N 254.265 -0.006 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2nccnc2N)O1 293990477 UISSGUNXCMURHG-BQBZGAKWSA-N 265.273 -0.613 50 20 CBGD C[C@H]1COCCN1C(=O)c1cc(B(O)O)ccc1F 584931563 ZQMXRUJXAQGPPP-QMMMGPOBSA-N 267.065 -0.634 50 20 CBGD CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(B(O)O)cc1 584938397 DVIZUFSEFZTYLP-ZJUUUORDSA-N 292.144 -0.601 50 20 CBGD C=CCN1CCC(NC(=O)c2ccc(B(O)O)cc2)CC1 584941660 MYCWNCGIFQNUIT-UHFFFAOYSA-N 288.156 -0.253 50 20 CBGD COCC[C@@](C)(O)CNC(=O)c1ccc(B(O)O)c(F)c1 584955013 RCOJFDQAYATNSD-CYBMUJFWSA-N 299.107 -0.977 50 20 CBGD C[C@H](O)[C@@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 584971008 JDXGAVULYPMFSG-GWCFXTLKSA-N 277.129 -0.258 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)cc1)[C@@H](C)N1CCOCC1 585024046 PSDRTQNPVUBMHH-CHWSQXEVSA-N 292.188 -0.435 50 20 CBGD C[C@H](CNCc1cccc(B(O)O)c1)CN1CCOCC1 585025425 UHDDEGLGYNECOB-CYBMUJFWSA-N 292.188 -0.576 50 20 CBGD C[C@@](O)(CNCc1ccc(B(O)O)o1)C(F)(F)F 585031348 DBJORHLZMUMIIZ-MRVPVSSYSA-N 267.012 -0.638 50 20 CBGD C[C@H](CNCc1ccc(B(O)O)cc1)[S@](C)=O 585035169 QMWVQTWDGFGZFS-XLFHBGCDSA-N 255.148 -0.777 50 20 CBGD CC(C)(C)[C@H](O)C[C@@H](CO)NCc1ccc(B(O)O)o1 585042843 WBEJAPQDXSLTGM-GXSJLCMTSA-N 285.149 -0.793 50 20 CBGD CCc1nc(CNCc2ccc(B(O)O)o2)co1 585044600 NUUSXXYWLYKNIS-UHFFFAOYSA-N 250.063 -0.200 50 20 CBGD OB(O)c1ccc(CN[C@H]2C[C@@H]3CCCCN3C2)o1 585046857 WQVDWQNQPQXHGW-QWRGUYRKSA-N 264.134 -0.324 50 20 CBGD CCNC(=O)Cc1nc(-c2cccc(B(O)O)c2)no1 585053253 JPHYSCZAODLGMA-UHFFFAOYSA-N 275.073 -0.905 50 20 CBGD O=S(=O)(c1c[nH]c2ncccc12)N1CC[C@@H](B(O)O)C1 585057923 OFZZLRPROURSFL-MRVPVSSYSA-N 295.129 -0.200 50 20 CBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@H](B(O)O)C1 585058744 OQALIGUTXQATPP-QMMMGPOBSA-N 273.123 -0.736 50 20 CBGD COc1ccc(OCC(=O)NCB(O)O)cc1C 585061550 VINFWNMHEFOQFI-UHFFFAOYSA-N 253.063 -0.489 50 20 CBGD N#CCOc1ccc(/C=C/C(=O)NCB(O)O)cc1 585062757 MXNDQYQFCCXDMB-ZZXKWVIFSA-N 260.058 -0.270 50 20 CBGD CC(=O)NCCNC(=O)NNC(=O)c1cccc(C#N)c1 728954590 KHNVMTOUDKGNKM-UHFFFAOYSA-N 289.295 -0.362 50 20 CBGD CC(C)OCCC(=O)NNC(=O)Cc1cc[nH]n1 730091667 SLPRNFGMPWYIMD-UHFFFAOYSA-N 254.290 -0.085 50 20 CBGD C[C@H](NC(=O)C1CCCC1)C(=O)NNC(=O)CN(C)C 733359746 ZWGRHUIJOLNGNE-VIFPVBQESA-N 284.360 -0.610 50 20 CBGD CCOCC(=O)NN[C@@H](C(N)=O)c1ccc(C#N)cc1 734506405 QSPKQMMPIMULJW-GFCCVEGCSA-N 276.296 -0.258 50 20 CBGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)NC(C)C 745139573 MAURMFPNHFBWTC-UHFFFAOYSA-N 279.362 -0.204 50 20 CBGD Cc1cc(C(=O)NNC(=O)CN2CCCC2=O)on1 751617085 KIYQPZTVDZCRRT-UHFFFAOYSA-N 266.257 -0.634 50 20 CBGD Cc1ccnc(NNC(=O)c2cn(C)c(=O)n(C)c2=O)c1 755838116 KHGNLEUMTLTYFM-UHFFFAOYSA-N 289.295 -0.456 50 20 CBGD CN1CCc2ccc(NC(=O)NNC(=O)CO)cc21 757917776 OXGBNKHBISRPTH-UHFFFAOYSA-N 264.285 -0.176 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)c1ccccc1 760208980 CVQWSWWCDGKQRN-UHFFFAOYSA-N 250.258 -0.623 50 20 CBGD COc1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)cn1 764334687 JCWBMOBQXVRFSH-UHFFFAOYSA-N 292.295 -0.024 50 20 CBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccon1 764344937 MBAGHFJFERMXOJ-UHFFFAOYSA-N 289.251 -0.739 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1ccc2c(c1)CCC2 764421027 IWMUKXYRRDUUCH-UHFFFAOYSA-N 277.280 -0.747 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cccc2nonc12 765060102 HYPKGHYXDYPCKK-UHFFFAOYSA-N 271.258 -0.655 50 20 CBGD Cc1n[nH]c(C)c1CC(=O)NNC(=O)C(C)(C)O 768248429 ZWQQOSQRERUCIT-UHFFFAOYSA-N 254.290 -0.513 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(C)(C)C1CC1 806788324 TUIXDMHLVFBCEY-ZETCQYMHSA-N 291.373 -0.492 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cccnc1F 806809032 TYACPKFRAGWPQP-UHFFFAOYSA-N 263.232 -0.053 50 20 CBGD CCCNC(=O)NNC(=O)C[C@H]1CCCC(=O)N1 813426312 VAZPOEUJEWBXKO-MRVPVSSYSA-N 256.306 -0.214 50 20 CBGD Cn1nncc1NNC(=O)[C@@H]1COCCN1C1CCCC1 816772299 UMRZWCRPNQPBTI-NSHDSACASA-N 294.359 -0.098 50 20 CBGD CCCN1CC[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1 823053508 AQKSYSIDZYUSRB-JTQLQIEISA-N 297.359 -0.920 50 20 CBGD C[C@@H](CO)N(C)NC(=O)Cn1c(=O)cnc2ccccc21 823982992 INBICQAPOYJFJQ-JTQLQIEISA-N 290.323 -0.260 50 20 CBGD CC(=NNC(=O)c1ccccn1)c1cn(CC(=O)O)nn1 825804591 NMDUOFWLLLNGAD-UHFFFAOYSA-N 288.267 -0.088 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NNC(=O)C(C)(C)C 825965510 YGYPPZNHKSSDGE-SFYZADRCSA-N 286.332 -0.181 50 20 CBGD CC1=NO[C@@H](C(=O)NNC(=O)c2c[nH]nc2C)C1 826753371 FFGCVFBBRQOPFP-MRVPVSSYSA-N 251.246 -0.356 50 20 CBGD O=C(NNc1nc2ccccn2n1)C1(n2cnnn2)CC1 834352180 UDXZLPSOGICSAF-UHFFFAOYSA-N 285.271 -0.652 50 20 CBGD Cc1cc(CC(=O)NNC(=O)N2CCOCC2)on1 845337132 SLOCDKFFOZVPTM-UHFFFAOYSA-N 268.273 -0.401 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cncnc1C 848405806 ZMHBYPXGCFFWAX-SECBINFHSA-N 299.356 -0.437 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cnc2n1CCC2 853331329 PEAUUYUEPPTSDK-UHFFFAOYSA-N 265.273 -0.365 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)C[C@@H]1CC(=O)N1 854509970 GNOIARYSGZQHRZ-JTQLQIEISA-N 291.307 -0.336 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@@]1(O)CCOC1 854997569 ODQFXLPXHLNGME-SSDOTTSWSA-N 256.180 -0.762 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@@H](C)S(C)(=O)=O)C1CC1 855101778 CAKPJFACJGESKX-RNFRBKRXSA-N 293.414 -0.287 50 20 CBGD CCOC(=O)[C@H](CC)C(=O)NNC(=O)c1cc[nH]n1 855354637 GQXOOIOYQFNYJJ-SSDOTTSWSA-N 268.273 -0.240 50 20 CBGD O=C(NNC(=O)C1(C(=O)NC2CC2)CCC1)c1cc[nH]n1 855358473 KWFCSKQRENVBLX-UHFFFAOYSA-N 291.311 -0.380 50 20 CBGD CC(=O)N[C@@H](C(=O)NNC(=O)c1cc[nH]n1)C(C)C 855362440 SNCHBWSWIOZNMP-SECBINFHSA-N 267.289 -0.669 50 20 CBGD COc1nccnc1NNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 862004096 QHWWSWSUYJIWQE-YUMQZZPRSA-N 279.300 -0.157 50 20 CBGD C[C@H](NNC(=O)c1cn(C)c(=O)n(C)c1=O)C(F)(F)F 862313109 CEIUJQKYRSYMIU-YFKPBYRVSA-N 294.233 -0.731 50 20 CBGD CC(C)CO[C@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862452418 KRUPJEQERYAERX-BDAKNGLRSA-N 271.317 -0.527 50 20 CBGD CCN1CCC(=NNC(=O)CS(C)(=O)=O)[C@H](C)C1 863189270 GPSIWMONPLHCNZ-SECBINFHSA-N 275.374 -0.135 50 20 CBGD C[C@H]1CC/C(=C/C(=O)NNC(=O)CS(C)(=O)=O)C1 863462216 LLOGDRHFTVUKRJ-HWPCKVLBSA-N 274.342 -0.075 50 20 CBGD C[C@H](C[C@H]1CCOC1)NC(=O)c1cccc(B(O)O)c1 866585244 OTOMEHAXNKAAQJ-GHMZBOCLSA-N 277.129 -0.089 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CN(C)CC(C)(C)C 873837174 NABYPKNMYDWSGP-UHFFFAOYSA-N 286.376 -0.364 50 20 CBGD C#CCCCC(=O)NNS(=O)(=O)c1ccn(C)n1 901967238 XVPIFSLRYWJAAT-UHFFFAOYSA-N 270.314 -0.467 50 20 CBGD CN1C(=O)CCC[C@@H]1C(=O)NNC(=O)N1CCOCC1 906446679 BXXSEBGAOLWHIJ-SECBINFHSA-N 284.316 -0.930 50 20 CBGD COc1ccc(NNC(=O)[C@@H]2CSCC(=O)N2)nc1 935536870 QNHMYGHRLKKTAD-QMMMGPOBSA-N 282.325 -0.235 50 20 CBGD O=C(c1ccnc(-n2ccnc2)c1)N1CC[C@@H](B(O)O)C1 1118916896 ZWMVAAWMCKCTPN-LLVKDONJSA-N 286.100 -0.044 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1 1120751708 YBEZARKJJXHQHE-NSHDSACASA-N 281.316 -0.742 50 20 CBGD O=C(NNc1ncccn1)c1n[nH]c2c1CNCC2 1261489675 CEQUPUZIYKPJGK-UHFFFAOYSA-N 259.273 -0.398 50 20 CBGD Cn1ncc(C(=O)NNC(=S)NC(C)(C)C)c1N 1262153620 IXQSHVFVPFWHOP-UHFFFAOYSA-N 270.362 -0.090 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1262628069 KOPBMANXXGCXOR-XWLWVQCSSA-N 258.318 -0.618 50 20 CBGD O=C(NNC(=O)c1ccncc1F)C(=O)NC1CC1 1318682141 OXYZUGAPYWSSIE-UHFFFAOYSA-N 266.232 -0.740 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2nc[nH]n2)cc1 1321267806 JZFXDFVQJNOZGT-UHFFFAOYSA-N 288.267 -0.487 50 20 CBGD CC(C)(C=NNC(=O)Cc1cc[nH]n1)S(C)(=O)=O 1324258370 LWCUHOTUTLUTPI-UHFFFAOYSA-N 272.330 -0.123 50 20 CBGD O=C(NN=Cc1cc[nH]c1)C(=O)NN=Cc1cc[nH]c1 1330158303 UJQUBIYYYMKAAH-UHFFFAOYSA-N 272.268 -0.057 50 20 CBGD O=C(NNC(=O)[C@@H]1CCOC2(CCC2)C1)C(=O)NC1CC1 1331579903 BCHCIVNIDLIENU-SECBINFHSA-N 295.339 -0.238 50 20 CBGD CC(C)NC(=S)NNC(=O)CCc1cnn[nH]1 1331900663 HSZBLCSPEJXNAF-UHFFFAOYSA-N 256.335 -0.359 50 20 CBGD Cc1nc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cs1 1334889921 BLKNTMGGALZTLC-QMMMGPOBSA-N 297.340 -0.439 50 20 CBGD CO[C@@]1(C(=O)N2CC=C(C#N)CC2)CCS(=O)(=O)C1 1446273619 FSYYPWGRRXVFSQ-LBPRGKRZSA-N 284.337 -0.128 50 20 CBGD CCCNNC(=O)c1ccc(-n2[nH]c(O)nc2=O)cc1 1577574596 IAKWIGKGIFAJHQ-UHFFFAOYSA-N 277.284 -0.089 50 20 CBGD Cn1nc(N)cc1C(=O)NNC(=O)Cc1ccccc1O 1579996590 KPWABBICUUUCDY-UHFFFAOYSA-N 289.295 -0.288 50 20 CBGD NCC(=O)NNC(=O)c1cc2c(cc1Cl)NC(=O)CO2 1580211015 STTVUJMIBDQQCW-UHFFFAOYSA-N 298.686 -0.609 50 20 CBGD O=C(NCC12CC(CN1)C2)NNC(=O)c1cccnn1 1580637531 HNJRFQLEODXJRL-UHFFFAOYSA-N 276.300 -0.827 50 20 CBGD CC(C)(C)[C@H](C(=O)O)C(=O)NNC(=O)c1ncccn1 1588635097 YPVQHRDTPAIWQP-ZETCQYMHSA-N 280.284 -0.016 50 20 CBGD CO[C@](C)(C(=O)O)C(=O)NNC(=O)c1ccncc1 1593926743 MOSHVXPOTBCRAD-NSHDSACASA-N 267.241 -0.668 50 20 CBGD CSCCNC(=S)NNC(=O)NCC(=O)O 1607398374 SCJCXPMDXAGMEP-UHFFFAOYSA-N 266.348 -0.888 50 20 CBGD CCO[C@@H]1C[C@@H]1C(=O)NN=Cc1cc(C(=O)O)nn1C 1776101886 BITOMOLAQQNAHO-WCBMZHEXSA-N 280.284 -0.007 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NCC(=O)N1CCCC1 79071341 YPXXXDBVDUOKEP-UHFFFAOYSA-N 270.333 -0.015 50 20 CBGD C[C@@H](OCC1CC1)C(=O)NNC(=O)c1cnn(C)c1 117681745 QDDGKOVIMTUEID-MRVPVSSYSA-N 266.301 -0.004 50 20 CBGD CN(CC(=O)NNc1ccc(Cl)nn1)S(C)(=O)=O 265527010 PBBIIPBSWXFKOD-UHFFFAOYSA-N 293.736 -0.536 50 20 CBGD COc1cc(C)nc(NNC(=O)NCCC(=O)N(C)C)n1 267004930 ZGOYVSQLNXHROF-UHFFFAOYSA-N 296.331 -0.102 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)n1 279832236 QWAHLXHRWDRCJY-ZJUUUORDSA-N 292.295 -0.816 50 20 CBGD CO[C@H]1COC[C@@H]1NC(=O)NNc1ccc(C)nn1 291301938 UGJOIDYAYDACFV-IUCAKERBSA-N 267.289 -0.175 50 20 CBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)CC2CC2)cc1 294187879 ORGAKVMWNMVSHX-UHFFFAOYSA-N 297.336 -0.105 50 20 CBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 294235806 NCALXQWVOPIQSN-VGMNWLOBSA-N 272.301 -0.100 50 20 CBGD C[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)n1cccn1 299571658 PMEISNMEWBGFDM-VIFPVBQESA-N 279.300 -0.786 50 20 CBGD O=C1NC(=O)[C@H]2CN(S(=O)(=O)CCCCl)C[C@@H]12 387174529 NLZUXLGBLRYSMR-KNVOCYPGSA-N 280.733 -0.851 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)C1CC1 495362410 OQAJBOUTQWRHJS-UHFFFAOYSA-N 293.345 -0.376 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H](C)CN1CCOCC1 495628585 JCRCVALGJJYMKU-VIFPVBQESA-N 259.306 -0.316 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCCOCC1 584936625 LQNROBYVTVJRMP-UHFFFAOYSA-N 267.065 -0.632 50 20 CBGD CSC[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F 584949786 UTRSFPBUUHJUQY-SSDOTTSWSA-N 271.122 -0.013 50 20 CBGD O=C(N[C@@H]1CCc2c[nH]nc2C1)c1cccc(B(O)O)c1 584957592 GMWUHEOWFJWXEH-GFCCVEGCSA-N 285.112 -0.623 50 20 CBGD CN(CC1CCOCC1)C(=O)c1cccc(B(O)O)c1 584970135 UPYQXZWEFBUFTR-UHFFFAOYSA-N 277.129 -0.135 50 20 CBGD COC1(CNC(=O)c2ccc(B(O)O)cc2)CCC1 584972496 YOGHAYBEKOUVJG-UHFFFAOYSA-N 263.102 -0.335 50 20 CBGD Cc1noc(CN(C)C(=O)c2cc(B(O)O)ccc2F)n1 585006917 BRSOFASKDUSCCU-UHFFFAOYSA-N 293.063 -0.531 50 20 CBGD CC(C)[C@H](NCc1cccc(B(O)O)c1)C(=O)N(C)C 585018858 VFQQEADKXZMBDG-ZDUSSCGKSA-N 278.161 -0.431 50 20 CBGD CN(C)[C@@]1(CNCc2ccccc2B(O)O)CCSC1 585026513 NZHRKZDPUGIYSU-CQSZACIVSA-N 294.229 -0.107 50 20 CBGD CC[C@H](CCO)CNCc1ccccc1B(O)O 585028727 PMTXBALXWQEFOH-LLVKDONJSA-N 251.135 -0.135 50 20 CBGD O=C1C[C@H](NCc2ccc(B(O)O)cc2)[C@@H]2CCCCN12 585041444 CSVOWVNLSBJSIL-KBPBESRZSA-N 288.156 -0.391 50 20 CBGD O=C1[C@@H](NCc2ccc(B(O)O)o2)C[C@H]2CCCCN12 585044416 IDRXJRZZGBOSQX-KOLCDFICSA-N 278.117 -0.798 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc(F)c(F)c1 585054892 SSCXUCSJLKMXGN-UHFFFAOYSA-N 251.019 -0.745 50 20 CBGD CCOCC(=O)NNC(=O)NCCc1cnn(C)c1 731281050 OVFUDCKNEDRECM-UHFFFAOYSA-N 269.305 -0.671 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@H]1C(=O)O)c1ccc2c(c1)OCO2 739453231 DKDOJAOBELNWEL-JGVFFNPUSA-N 292.247 -0.103 50 20 CBGD CC(=O)N[C@@H](C(=O)NNC(=O)Cc1ccncc1)C(C)C 747323627 CDTAINPGUZMMAJ-CYBMUJFWSA-N 292.339 -0.068 50 20 CBGD CNC(=S)NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1 747724933 CBTQBQGQYLRQTJ-BBBLOLIVSA-N 288.417 -0.143 50 20 CBGD CN(NC(=O)Cc1ccc2c(c1)NC(=O)C2)C(N)=O 752717119 HSANBWYPSDENHG-UHFFFAOYSA-N 262.269 -0.235 50 20 CBGD CN1CCCC[C@H]1C(=O)NNc1ccc(C(N)=O)nn1 757402098 ZGAHFDCDHATMJW-VIFPVBQESA-N 278.316 -0.497 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@@H]2CCCOC2)nn1 757403644 FAAFBTLAASXMGW-SSDOTTSWSA-N 265.273 -0.555 50 20 CBGD COCCO[C@@H](C)C(=O)NN=C1CCN(C)C1=O 761809411 DKTSIUQTFVBFKK-QMMMGPOBSA-N 257.290 -0.628 50 20 CBGD C[C@@H]1CCN(S(=O)(=O)NNC(=O)Cc2cccnc2)C1 777932604 IFIMSYDVWBOMAA-SNVBAGLBSA-N 298.368 -0.169 50 20 CBGD COC[C@](C)(O)C(=O)NNc1ncncc1Cl 781829737 MJRSCWMKZVCCOL-VIFPVBQESA-N 260.681 -0.030 50 20 CBGD CN(C)CCOCCNC(=O)NNC(=O)C1CCC1 788017439 KEWWHJYGPJFKCT-UHFFFAOYSA-N 272.349 -0.305 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCN(CC(=O)OC)CC1 790910865 SLWOCZQKWGKBNB-ZHACJKMWSA-N 281.312 -0.252 50 20 CBGD CN1C(=O)C(=O)N(CC(=O)NNc2cccc(F)n2)C1=O 804771477 ZBEAKDFXRYYHTG-UHFFFAOYSA-N 295.230 -0.916 50 20 CBGD CCN1CCO[C@H](C(=O)NNc2nnc(C)c(O)n2)C1 806364638 CSVUDHUYJUBUDC-QMMMGPOBSA-N 282.304 -0.951 50 20 CBGD O=C(O)c1ccc(C(=O)NNC(=O)[C@H]2COCCO2)cc1 821544419 QCMUPHLGUHQWQM-SNVBAGLBSA-N 294.263 -0.439 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](C)N(C)C 822778504 IPZKSXSWIVDMDN-SECBINFHSA-N 275.349 -0.127 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCCCN(C)C1=O 823912199 BVSLCYVJNROMMX-NXEZZACHSA-N 257.334 -0.411 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@@H]1C[C@H]1C(=O)O 833118080 GSGRXYCQOKKRRE-RKDXNWHRSA-N 263.253 -0.508 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1C[C@@H](OCC)C1 838748347 GCZZKJCCUITPPT-DTORHVGOSA-N 259.306 -0.079 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)N(C)CC1CC1 842592692 NWULISPROUVOJI-PSASIEDQSA-N 291.373 -0.381 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)nn1 843650833 HVFSTVVUBWEWHC-JGVFFNPUSA-N 280.284 -0.329 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1 843981011 ZKNHMVNSINXYAV-VWYCJHECSA-N 285.344 -0.721 50 20 CBGD CCONC(=O)CNC(=O)NNC(=O)C1CCCC1 845551033 NVQFPJUVTUCLFM-UHFFFAOYSA-N 272.305 -0.425 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnc2n1CCCCC2 857108397 FKHBIFBIWDUATF-UHFFFAOYSA-N 279.344 -0.068 50 20 CBGD CC(C)(C)OC(=O)C(=O)NNC(=O)CCCCCN 857766807 TZEKMDOAWFFBBQ-UHFFFAOYSA-N 273.333 -0.005 50 20 CBGD C#C[C@@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(C)C 858422067 FCWBDSWKUGLNBM-RKDXNWHRSA-N 266.301 -0.747 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc([N+](=O)[O-])cn2)N1 862457746 PQKGBIBQTUHWKA-MRVPVSSYSA-N 293.239 -0.971 50 20 CBGD CC[C@H](C(=O)NN(C)C[C@H](C)O)N1CCCC1=O 910161988 BYZMOAMGERXCKW-VHSXEESVSA-N 257.334 -0.269 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 910170672 PHKNJKSQQNRCGE-GHMZBOCLSA-N 297.359 -0.754 50 20 CBGD CCN(CCO)c1ccc(C=NNC(=O)C(N)=O)c(C)c1 916272190 CVXVWWPGGLCROG-UHFFFAOYSA-N 292.339 -0.251 50 20 CBGD COc1ccc(C(C)=NNC(=O)C(N)=O)c(O)c1 916272351 OECUNCTWEZMTJB-UHFFFAOYSA-N 251.242 -0.274 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 920858359 CYWHFMTUYLSXNJ-SSDOTTSWSA-N 254.290 -0.652 50 20 CBGD O=C(NCCO[C@H]1CCOC1)NNC(=O)C1CCC1 927513205 AYMGSENQXWAAEE-JTQLQIEISA-N 271.317 -0.078 50 20 CBGD CC(C)n1cc(C=NNC(=O)C(=O)NC2CC2)nn1 1117530371 NPLDEBDPHXYUIZ-UHFFFAOYSA-N 264.289 -0.412 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccc(NS(C)(=O)=O)cc1 1318068761 VINNOOYCBUJULF-UHFFFAOYSA-N 298.324 -0.616 50 20 CBGD O=C(NNC(=O)[C@H]1CCSC1)C(=O)Nc1ccccn1 1319149731 JAQKNLMYIVUFRI-QMMMGPOBSA-N 294.336 -0.079 50 20 CBGD COCc1nocc1C(=O)NNC(=O)Cc1cc[nH]n1 1324041068 CUILSXQIVXRMPP-UHFFFAOYSA-N 279.256 -0.452 50 20 CBGD CC(=NNC(=O)C(N)=O)c1cccc(-n2cnnc2)c1 1324192651 YSQBWDSPSRZLJK-UHFFFAOYSA-N 272.268 -0.407 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NNc1ncncc1F 1327965866 RIGNGKXBBYAPAO-ZCFIWIBFSA-N 276.293 -0.261 50 20 CBGD CCCn1nccc1C(=O)NNC(=O)CS(C)(=O)=O 1329135601 SQWQPDWDFAEQCN-UHFFFAOYSA-N 288.329 -0.901 50 20 CBGD O=C(c1ccnc2ccnn12)N1CC[C@@H](B(O)O)C1 1330262189 MCZKBUKDHASXLL-MRVPVSSYSA-N 260.062 -0.582 50 20 CBGD CNC(=S)N(C)NC(=O)c1cnc(C(=O)OC)cn1 1330863986 VKCATDILUKDIEL-UHFFFAOYSA-N 283.313 -0.656 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)Nc1cnsn1 1332156323 HBWUESXKYMXJAI-PHDIDXHHSA-N 299.312 -0.951 50 20 CBGD C=CC(=O)N(CC)CC(=O)NNC(=O)C1CCOCC1 1332796678 FNEVTAMECKIRKU-UHFFFAOYSA-N 283.328 -0.405 50 20 CBGD CC(C)NC(=O)CCCC(=O)NNC(=O)C(=O)NC1CC1 1338617806 FGKTYDRNAZUNIX-UHFFFAOYSA-N 298.343 -0.893 50 20 CBGD CCNC(=O)N(C)NC(=O)Cc1nc2ncccn2n1 1342693337 LFCJICLBNHPMID-UHFFFAOYSA-N 277.288 -0.641 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC3CCC2CC3)N1 1351351197 BHCLBEANNRYKHD-UDNWOFFPSA-N 280.328 -0.120 50 20 CBGD CN[C@@H](CC(C)C)C(=O)NNC(=O)C(=O)N1CCCC1 1578754582 TWRHUSZKAFGLRW-JTQLQIEISA-N 284.360 -0.610 50 20 CBGD O=C(CC1(O)CNC1)NNc1nccnc1C1CCC1 1580515726 UJKDRTBNZVQGLS-UHFFFAOYSA-N 277.328 -0.088 50 20 CBGD CCN(CCO)NC(=O)c1csc(-c2nn[nH]n2)c1 1590714396 HXPCSARTPQUBFL-UHFFFAOYSA-N 282.329 -0.113 50 20 CBGD COCCN(CC(=O)O)C(=O)/C(C#N)=C/c1cnn(C)c1 1593997104 GSPBQBPXWMICHV-VZUCSPMQSA-N 292.295 -0.113 50 20 CBGD O=C(NCC1(C(=O)O)CCC1)NNC(=O)C1CCOCC1 1594742035 RJVXWSGBRINYFI-UHFFFAOYSA-N 299.327 -0.002 50 20 CBGD CC[C@](C)(CC(=O)O)NC(=O)c1ccc(B(O)O)cc1 1604901985 VZKPEKFLKSDAHZ-CYBMUJFWSA-N 279.101 -0.260 50 20 CBGD Cn1ccc(NNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 1606253937 MLLJWTLRWQYBGO-UHFFFAOYSA-N 273.260 -0.315 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCN(C2CCCCC2)C1 1608478533 ZYNHAZHDGPZWDE-VIFPVBQESA-N 298.343 -0.192 50 20 CBGD O=C(O)CC(=O)NNC(=O)[C@H]1COc2ccccc2O1 1608664262 MQZGWUNZFWSAPQ-SECBINFHSA-N 280.236 -0.552 50 20 CBGD COc1cc(CCNC(=O)NNC(=O)C(=O)O)ccc1O 1610294573 XALKLBLBARTWDR-UHFFFAOYSA-N 297.267 -0.642 50 20 CBGD COCCCNC(=O)NNC(=O)c1cnc(C)cn1 49167541 TYESTFNZHSDIEM-UHFFFAOYSA-N 267.289 -0.234 50 20 CBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)C1CCC1 109833941 SGJFUDKCGGVBFN-UHFFFAOYSA-N 284.360 -0.610 50 20 CBGD COCCN(CC(=O)NNC(=O)C1CC1)CC(F)F 112980015 SYUZPNOVSHFPBB-UHFFFAOYSA-N 279.287 -0.243 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)COc1ccccc1O 264440005 BOABQAIPEMLRSU-UHFFFAOYSA-N 295.295 -0.603 50 20 CBGD CCOC(=O)/C(C#N)=C/NC[C@@H]1CC[C@@H](C(N)=O)O1 268337245 BTXYEYSNYJSZRZ-OKJFYCPLSA-N 267.285 -0.421 50 20 CBGD CO[C@H](C(=O)NNC(=O)c1cc(C)n[nH]1)C1CC1 281546464 KVFVUCCIXZPSSQ-VIFPVBQESA-N 252.274 -0.096 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ccc(F)cn2)CC1 282968251 RXJQOIKFUYGCRV-UHFFFAOYSA-N 281.291 -0.178 50 20 CBGD CN1CC(=O)N(CC(=O)NCC(Cl)Cl)C1=O 288816796 HDWPZQKNJKQLRE-UHFFFAOYSA-N 268.100 -0.200 50 20 CBGD Cn1cccc1C(=O)NNC(=O)C[C@@H]1CCCC(=O)N1 289667688 OWEWFBKDXUUTRE-VIFPVBQESA-N 278.312 -0.155 50 20 CBGD CCN1CCC[C@H]1CN1C[C@H](C(=O)NN)CC1=O 361739262 OJSYWVOATUFRER-ZJUUUORDSA-N 254.334 -0.691 50 20 CBGD N#C/C(=C/c1ccc(O)cc1)C(=O)NOCC(N)=O 491013472 UKMMBXJFNCPTIL-UITAMQMPSA-N 261.237 -0.168 50 20 CBGD COc1ccnc(NNC(=O)[C@H]2NC(=O)O[C@@H]2C)n1 496633201 PGASETZQNYIUIF-VDTYLAMSSA-N 267.245 -0.575 50 20 CBGD C[C@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)CN1C1CC1 584956835 BRZYPOQKYJOXBA-GWCFXTLKSA-N 288.156 -0.279 50 20 CBGD CCN(C[C@H](C)OC)C(=O)c1ccc(B(O)O)cc1 584992939 UAYNKAGORBKLFW-JTQLQIEISA-N 265.118 -0.137 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N(C1CC1)C1COC1 584994409 IWQDOLFMOCTQNH-UHFFFAOYSA-N 279.076 -0.491 50 20 CBGD C[C@H](CCCO)CNC(=O)c1ccc(B(O)O)cc1 584995045 IAOSYWGAEFANIT-SNVBAGLBSA-N 265.118 -0.495 50 20 CBGD CC[C@](C)(CNC(=O)c1cccc(B(O)O)c1)OC 585000748 ZYZGDSRHGUSCLY-CYBMUJFWSA-N 265.118 -0.089 50 20 CBGD OB(O)c1ccc(CNC[C@@H]2CCC[C@@H](O)C2)o1 585025650 ZKOCGNSPEKOBKA-NXEZZACHSA-N 253.107 -0.400 50 20 CBGD CC[C@H](C)NC(=O)[C@@H](C)NCc1ccc(B(O)O)cc1F 585032738 LCEIUGWDKKPUDZ-VHSXEESVSA-N 296.151 -0.102 50 20 CBGD C[C@H]1NC(=O)CC[C@H]1CNCc1ccc(B(O)O)cc1 585045514 BSOPLNGSCHQVPT-PWSUYJOCSA-N 276.145 -0.629 50 20 CBGD CC[C@H](C(=O)N1CC[C@@H](B(O)O)C1)N1CCCC1=O 585070918 IGRAQBBXHOIIKR-NXEZZACHSA-N 268.122 -0.537 50 20 CBGD CCNc1ncc(C(=O)N2CC[C@@H](B(O)O)C2)s1 585072931 GRKIVAAFZIJEQJ-SSDOTTSWSA-N 269.135 0.264 50 20 CBGD O=S(=O)(CCCCl)NCC1(CO)COC1 717612964 LABOAUVGHGUSAS-UHFFFAOYSA-N 257.739 -0.456 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@H]1CCC(=O)NC1 731492543 NKBTWJMLPVYRGG-VIFPVBQESA-N 291.307 -0.018 50 20 CBGD O=C(CO)NNC(=O)c1cncn1-c1ccccc1 753453182 ZYAOPKAZZRVWKS-UHFFFAOYSA-N 260.253 -0.374 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=O)NCc1ccco1 754987571 LTVPTCVPPUUCAZ-LLVKDONJSA-N 271.273 -0.493 50 20 CBGD O=C(CO)NNC(=O)C(=O)N1CCc2c(Cl)cccc21 764420412 FXJJRNZLRSKAKI-UHFFFAOYSA-N 297.698 -0.631 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNc1ccc(C(N)=O)nn1 771393361 ZVOKRQCFFBVLLE-RQJHMYQMSA-N 265.273 -0.556 50 20 CBGD COc1cccc(C)c1NC(=O)C(=O)NNC(=O)CO 773551492 BRBVXNNCIDKJLL-UHFFFAOYSA-N 281.268 -0.918 50 20 CBGD O=C(NCC[C@@H]1CCCCO1)NNC(=O)C(=O)NC1CC1 780907404 MBOGDKSARRNPQV-JTQLQIEISA-N 298.343 -0.445 50 20 CBGD COc1nccnc1NNC(=O)CSc1n[nH]c(O)n1 791224552 CKODWCDVVNGAGC-UHFFFAOYSA-N 297.300 -0.456 50 20 CBGD CC(C)C(=O)NNC(=O)c1sccc1S(N)(=O)=O 800589935 DLQYRJGZXKICMY-UHFFFAOYSA-N 291.354 -0.188 50 20 CBGD CC(=O)NCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2 802098811 BEIGJLCJJMIJNL-UHFFFAOYSA-N 294.267 -0.296 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@H](C)N(C)[C@H](C)C1 815180847 WYONNTLMIKAPJT-OUAUKWLOSA-N 270.377 -0.043 50 20 CBGD COCCOc1ncccc1C(=O)NNc1nc[nH]n1 816632265 ASJGVYREDSBXOL-UHFFFAOYSA-N 278.272 -0.018 50 20 CBGD O=C(NN=C1CCN(CCO)CC1)c1ccnnc1 819814052 WDJOWZFWXOYTCP-UHFFFAOYSA-N 263.301 -0.350 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 823846614 LWIKQMFCEFPKPP-JTQLQIEISA-N 271.361 -0.021 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843972425 GWNUTWQJJRJESX-UTUOFQBUSA-N 279.340 -0.344 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCc3cncn3C2)n[nH]1 844139263 XOWYVPSSFOMJKM-VIFPVBQESA-N 288.311 -0.062 50 20 CBGD C[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)C(C)(C)O 847856360 LVTDQTQDADSACG-SSDOTTSWSA-N 254.290 -0.493 50 20 CBGD CCCN1CC[C@@H](NC(=O)NNC(=O)c2cnn(C)c2)C1 852632216 RLRQMCQSDMOSCB-LLVKDONJSA-N 294.359 -0.152 50 20 CBGD CO[C@H](C)CS(=O)(=O)NNC(=O)c1cccc(F)n1 853052143 YDZINLJYUKOXNF-SSDOTTSWSA-N 291.304 -0.180 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)c1ccncc1 854118519 JIKNVJPCEPZEAP-VIFPVBQESA-N 253.258 -0.496 50 20 CBGD O=C(NNC(=O)[C@@H]1CCNC1=O)Nc1ccccc1 854377716 XGJZNTYTOSRZON-SECBINFHSA-N 262.269 -0.025 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CC2(CC2)C1 857116452 GAYNUISIYMRZBF-ZETCQYMHSA-N 289.357 -0.738 50 20 CBGD CC(C)S(=O)(=O)CC(=O)NNc1ccncn1 857520563 CVYIBYYFUMGCMZ-UHFFFAOYSA-N 258.303 -0.257 50 20 CBGD C[C@@H]1CCCCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 858694528 QMDXEKHODXHINJ-RKDXNWHRSA-N 268.317 -0.120 50 20 CBGD CN(CC(C)(C)C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858698636 XJLUOWMFCUWOSP-MRVPVSSYSA-N 270.333 -0.016 50 20 CBGD O=C(CCn1cc(Cl)cn1)NNC(=O)[C@@H]1CCC(=O)N1 862453544 WXHGSYMOXSNXQC-QMMMGPOBSA-N 299.718 -0.647 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)C2[C@H]3CCCC[C@H]23)N1 862456052 LYXIRJWQNHVCHN-XHNCKOQMSA-N 265.313 -0.151 50 20 CBGD C=C(C)CNC(=S)NNC(=O)[C@@H]1CCC(=O)N1 863204223 SNYHVDWDMDXZSG-ZETCQYMHSA-N 256.331 -0.664 50 20 CBGD O=C(NC[C@@H]1CSCCS1)c1ccc(B(O)O)cc1 863876981 OKDFUTOGUOZEEJ-LLVKDONJSA-N 297.210 -0.055 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@]1(COC)CCCCN1 876884506 KMDKFZBHBXNUEQ-GFCCVEGCSA-N 272.349 -0.162 50 20 CBGD C[C@@H]1COCC1=NNC(=O)CNC(=O)c1cccnc1 884436230 ZNVKUNJJCYZOBX-SECBINFHSA-N 276.296 -0.050 50 20 CBGD C[C@H]1CCN(CCNC(=O)NNC(=O)c2cnn(C)c2)C1 897435304 KFCWDLOCNXSAHA-JTQLQIEISA-N 294.359 -0.294 50 20 CBGD CC[C@@H](O)[C@H](C)C(=O)NNC(=O)COCCOC 913432984 CWAMSBQRNMHCDT-DTWKUNHWSA-N 262.306 -0.796 50 20 CBGD C[C@@H](C(=O)NNC(=O)C(C)(C)C)S(C)(=O)=O 917180636 DNQAPBONQZNUSK-LURJTMIESA-N 250.320 -0.387 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1cccc(O)c1 919743748 UJOSUHCTKOZSNK-UHFFFAOYSA-N 272.282 -0.802 50 20 CBGD O=C(NCCO[C@@H]1CCOC1)NNc1cccnn1 927517944 LUJRZIOPPQAAHM-SECBINFHSA-N 267.289 -0.092 50 20 CBGD Cc1nn(C)cc1S(=O)(=O)NNC(=O)c1ccccn1 1261128953 GBRVPESYBJXLHG-UHFFFAOYSA-N 295.324 -0.253 50 20 CBGD CCc1cc(C(=O)NNc2ccc(C(N)=O)nn2)nn1C 1319989969 UZXPMLIXJBJWDH-UHFFFAOYSA-N 289.299 -0.372 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)Cc2cccnc2)CC1 1321602232 JAEFOUZWBAPYEJ-UHFFFAOYSA-N 276.296 -0.702 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CC1CCOCC1 1321895538 MYRXBWQVSVWSRS-UHFFFAOYSA-N 271.317 -0.525 50 20 CBGD N#Cc1csc(C(=O)NNC(=O)C(=O)NC2CC2)c1 1323631396 MEXZNGBRDNELEN-UHFFFAOYSA-N 278.293 -0.341 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NN=Cc1c(C(=O)O)cnn1C 1327662384 MGWRKOJSLRLPPB-HTQZYQBOSA-N 280.284 -0.007 50 20 CBGD COCCOCC(=O)NNC(=O)CC[C@H]1CCOC1 1329609184 UHPNHHJYOVZTHM-JTQLQIEISA-N 274.317 -0.387 50 20 CBGD Cc1nccn1CCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1335417882 NLCJIQLLRSBBQA-JTQLQIEISA-N 293.327 -0.602 50 20 CBGD O=C(NCCCn1cccn1)NNC(=O)c1cn[nH]c1 1351331659 ZHKYGFKVHIUAHL-UHFFFAOYSA-N 277.288 -0.360 50 20 CBGD CC(C)(N)CCNC(=O)NNC(=O)c1cccnn1 1575354318 WOPQGHBNPQNHAN-UHFFFAOYSA-N 266.305 -0.452 50 20 CBGD Cc1cnc2c(C(=O)NNC(=O)CCCN)cnn2c1 1579822954 UXPRBLFBUMEIBC-UHFFFAOYSA-N 276.300 -0.462 50 20 CBGD NC[C@H](O)C(=O)NNC(=O)c1ccccc1Cl 1580328447 HQCLJUULWSRSME-QMMMGPOBSA-N 257.677 -0.579 50 20 CBGD CCOC(=O)NNC(=O)[C@@H]1CCCN(CC(=O)O)C1=O 1590884334 WIHAPQRHNIZPPI-ZETCQYMHSA-N 287.272 -0.913 50 20 CBGD O=C(NNC(=O)c1ccc(C(=O)O)nc1)c1ccnnc1 1594782689 GQWDBYLZQNFUHK-UHFFFAOYSA-N 287.235 -0.355 50 20 CBGD O=C(O)CCC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 1594996971 XQCYZZDZCRACTG-GJMOJQLCSA-N 256.258 -0.434 50 20 CBGD O=C(O)COCC(=O)NNC(=S)Nc1ccccn1 1602078333 YUPGFLYMFFBARP-UHFFFAOYSA-N 284.297 -0.500 50 20 CBGD O=C(O)[C@@H]1CCC[C@@H]1NCc1ccccc1B(O)O 1602173547 HYJYYYALFDNMCV-PWSUYJOCSA-N 263.102 -0.291 50 20 CBGD O=C(CSc1nnnn1C1CC1)NNC(=O)NC1CC1 49150686 MXYSCTKBPHYNTG-UHFFFAOYSA-N 297.344 -0.407 50 20 CBGD CCOc1ccccc1C(=O)NCC(=O)NNC(C)=O 58091779 XYGUDCBVEWSFNZ-UHFFFAOYSA-N 279.296 -0.018 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCNC(=O)[C@H]1C 111216862 UDBZCLLQEOBLMH-ZJUUUORDSA-N 284.360 -0.611 50 20 CBGD CN(C)c1cccc(C(=O)NNC(=O)CCNC(N)=O)c1 263752889 WWBOTHRWWYYXRQ-UHFFFAOYSA-N 293.327 -0.428 50 20 CBGD O=C(NNS(=O)(=O)N1CCCC1)c1ccccn1 266021889 KLZSQQSFKOOODD-UHFFFAOYSA-N 270.314 -0.343 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C1[C@@H]2CCC[C@@H]12 267188585 JVWDFNDYTZZQGE-HTQZYQBOSA-N 253.302 -0.296 50 20 CBGD NC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)c2ccccc2)O1 276607103 MICGYTOLDUWVJF-NXEZZACHSA-N 277.280 -0.520 50 20 CBGD C=CCNC(=S)NNC(=O)CCn1ccnc1 281228252 MRNHXCGNPLJCLI-UHFFFAOYSA-N 253.331 -0.046 50 20 CBGD CN1C[C@@H](C(=O)NN(C)C(N)=O)c2ccccc2C1=O 373263106 DOVNPIAKBFHCAO-SNVBAGLBSA-N 276.296 -0.103 50 20 CBGD CNC(=O)NCCNS(=O)(=O)CCCCl 397460988 MIWCFTGFTXSRPM-UHFFFAOYSA-N 257.743 -0.536 50 20 CBGD C[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CC[C@@H]1O 584974372 NVXQWMOKNVTYIW-UFBFGSQYSA-N 281.092 -0.652 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O 584987013 QGJSIFRXZBNSPN-ZMQVJYHMSA-N 287.124 -0.792 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@H]1c1ncon1 584992290 NRBXAGJQVIQOFO-NSHDSACASA-N 287.084 -0.273 50 20 CBGD C[C@@H]1[C@@H](CO)CCCN1C(=O)c1cc(B(O)O)ccc1F 585000039 IUOWIJQTMSKIBY-NXEZZACHSA-N 295.119 -0.262 50 20 CBGD OB(O)c1cccc(CNC[C@H](O)C(F)(F)F)c1 585022458 ZOECNDDJONQGPF-VIFPVBQESA-N 263.024 -0.621 50 20 CBGD CC[C@](C)(CO)CNCc1ccc(B(O)O)cc1 585030518 URQVISGEOLVPGL-ZDUSSCGKSA-N 251.135 -0.135 50 20 CBGD COCCOCCc1nc(-c2ccc(B(O)O)cc2)no1 585050754 JMPLLQINICUKKU-UHFFFAOYSA-N 292.100 -0.378 50 20 CBGD C[C@]1(C(=O)NCB(O)O)CCCN1C(=O)c1ccccc1 585059241 GBCNNBFQQIKVAL-CQSZACIVSA-N 290.128 -0.191 50 20 CBGD CN(C)CC(=O)NNC(=O)CCCN(C)C(=O)O 737360410 MYIDNPRTACGNQX-UHFFFAOYSA-N 260.294 -0.915 50 20 CBGD C=C(C)CNC(=S)NNC(=O)N1CCOCC1 745729806 JLTJTMACWAOKRH-UHFFFAOYSA-N 258.347 -0.017 50 20 CBGD COCCCNC(=O)NN=Cc1c(N)ncnc1OC 747629603 CCQWGDHGCNMDLV-UHFFFAOYSA-N 282.304 -0.263 50 20 CBGD Nc1c(C(=O)NNC(=O)CO)cc(F)cc1[N+](=O)[O-] 753446019 YVCGKGGLTNNOPY-UHFFFAOYSA-N 272.192 -0.931 50 20 CBGD Cc1cnn(CCC(=O)NNC(=O)Cc2cc[nH]n2)c1 755284008 IHHKQCKFQRCWCD-UHFFFAOYSA-N 276.300 -0.305 50 20 CBGD O=C(NNC(=O)[C@H](O)c1cccnc1)NC1CC1 764881896 UFIKKGLKFJREHS-SECBINFHSA-N 250.258 -0.392 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(OC)n(C)n1 772640235 QEYJGWDAOHIAQA-SSDOTTSWSA-N 298.299 -0.469 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)CCn2ccnn2)n1 773861884 FUEHPZXKKDLSNT-UHFFFAOYSA-N 282.695 -0.163 50 20 CBGD CC(=O)NC(C)(C)C(=O)NNC(=O)NCC(F)(F)F 798315713 OFXDXWVBMRFALD-UHFFFAOYSA-N 284.238 -0.206 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2n[nH]cc2C)n1 799406751 DLFWFDKEXBXCQQ-UHFFFAOYSA-N 276.300 -0.007 50 20 CBGD CN(CC(=O)O)CC(=O)NNC(=O)c1cccc(C#N)c1 820569493 TVNKQZCWGHEPDA-UHFFFAOYSA-N 290.279 -0.664 50 20 CBGD CC(C)CC(=O)NCCC(=O)NN(C)[C@H](C)CO 823952650 SWSQMOSTZOCPOS-SNVBAGLBSA-N 259.350 -0.117 50 20 CBGD O=C1C[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CN1 826479250 UROWATSSESWIMU-QMMMGPOBSA-N 287.283 -0.554 50 20 CBGD CCC[C@H](C(=O)NNc1ccccn1)S(N)(=O)=O 831755590 LDVJNMUODIKUQK-MRVPVSSYSA-N 272.330 -0.018 50 20 CBGD CC(C)CN1C[C@@H](C(=O)NNc2nc[nH]n2)CC1=O 839768798 FVBPYNJLBVPAOB-QMMMGPOBSA-N 266.305 -0.248 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 840409019 ZKSDPMHGIVKJIC-PHDIDXHHSA-N 278.359 -0.490 50 20 CBGD C[C@H](C(=O)NNC(=O)C(C)(C)O)C(=O)OC(C)(C)C 840435276 YLHZCMAXBIRUFN-SSDOTTSWSA-N 274.317 -0.118 50 20 CBGD CCn1ncnc1C=NNC(=O)N1CCN(C)CC1 848408813 AXEDXUNDFTUCSF-UHFFFAOYSA-N 265.321 -0.411 50 20 CBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)OC(C)(C)C 854162582 OATXQQCVWNFEEX-SSDOTTSWSA-N 295.361 -0.130 50 20 CBGD COCCCNC(=S)N(C)NC(=O)C1CC(=O)C1 854283273 OXZPBIFWEHIBLS-UHFFFAOYSA-N 273.358 -0.161 50 20 CBGD CCC[C@@H](C(=O)NN(C)C(=O)OC)S(N)(=O)=O 854408902 CDFZHXMCUAQCTI-LURJTMIESA-N 267.307 -0.827 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@H]1CCC(=O)NC1)C1CC1 855103373 UGDLLQMVYNICRS-CBAPKCEASA-N 284.385 -0.194 50 20 CBGD CSC(C)(C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 857117078 VGWGUFRNJVSKDC-LURJTMIESA-N 297.402 -0.787 50 20 CBGD CC(C)(C)OC(=O)[C@@]1(C(=O)NNC(=O)CO)CC1(C)C 857171221 WABIMIJQOKPVDR-ZDUSSCGKSA-N 286.328 -0.116 50 20 CBGD CCC(CC)(CO)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862462161 VCMWXTFSZRWFCZ-QMMMGPOBSA-N 271.317 -0.789 50 20 CBGD O=C1NCC[C@@H]1C(=O)NNCC(F)(F)C(F)(F)F 863101738 FTWQSOBACAPGMQ-BYPYZUCNSA-N 275.177 -0.059 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1O[C@H](C)C[C@@H]1C 869904527 AEEJNIULMKIQRW-IQJOONFLSA-N 274.317 -0.390 50 20 CBGD COC(=O)N(C)NC(=O)NCC1(N2CCOCC2)CC1 875535712 TWDUXBBLNZNUPX-UHFFFAOYSA-N 286.332 -0.236 50 20 CBGD Cn1ccc(NC(=O)NNC(=O)C2CC2)cc1=O 879780090 PADVRSLIDYCJBH-UHFFFAOYSA-N 250.258 -0.052 50 20 CBGD CN1C(=O)CCC[C@H]1C(=O)NNC(=O)c1ccncc1 905016228 AXXNCHOVCDWQGM-JTQLQIEISA-N 276.296 -0.147 50 20 CBGD C[C@H]1C[C@H](C(=O)NNC(=O)CN2CCCC2=O)CO1 913731894 ACSWFWUADVHHIW-IUCAKERBSA-N 269.301 -0.819 50 20 CBGD N#Cc1cncc(S(=O)(=O)N2CC[C@H](B(O)O)C2)c1 1118976037 UNHJAAPUDLHOQB-VIFPVBQESA-N 281.102 -0.809 50 20 CBGD CCOCC(=O)NN=Cc1cnc2n1CCOC2 1262167139 BWVKULKNQDQJMG-UHFFFAOYSA-N 252.274 -0.100 50 20 CBGD COC(=O)NCCCC(=O)NNC(=O)Cc1cc[nH]n1 1320114313 WOWIJLRNCYNKIW-UHFFFAOYSA-N 283.288 -0.764 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CO[C@@H]1CCOC1 1320374615 NQAXSEOCRHWVOT-DTWKUNHWSA-N 288.300 -0.719 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C(C)(C)O)c(O)n1 1320632358 CQNSPGAQACIEJD-UHFFFAOYSA-N 253.258 -0.372 50 20 CBGD Cn1cc(C(=O)NNC(=O)OC(C)(C)C)c(O)nc1=O 1321993416 JACMOYTUNJKUDL-UHFFFAOYSA-N 284.272 -0.345 50 20 CBGD O=C1C[C@H](C(=O)NNC(=O)NCC2CC2)CCN1 1322556938 JFYUTXYDSOLHEZ-MRVPVSSYSA-N 254.290 -0.747 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cc(CN(C)C)on1 1323642632 AJSCGYUFTBPCPE-UHFFFAOYSA-N 292.299 -0.157 50 20 CBGD O=C(NNC(=O)C1CC(F)(F)C1)C(=O)NC1CC1 1323684142 MZMAEGVHYRYQRV-UHFFFAOYSA-N 261.228 -0.542 50 20 CBGD CNC(=O)NNC(=O)c1coc(S(=O)(=O)N(C)C)c1 1324430000 SXOSQXIKYGVWNU-UHFFFAOYSA-N 290.301 -0.896 50 20 CBGD CO[C@H](C)CS(=O)(=O)NNC(=O)c1cc[nH]n1 1327065635 ICWBGDLMVUQYIC-ZCFIWIBFSA-N 262.291 -0.991 50 20 CBGD NC(=O)CSCC(=O)NNC(=O)NCc1ccco1 1328716110 YXCNFTVNTCAZBL-UHFFFAOYSA-N 286.313 -0.672 50 20 CBGD O=C(NCC[C@]1(O)CCCOC1)NNC(=O)c1cn[nH]c1 1328799133 JVDQGTRCYQUWCQ-GFCCVEGCSA-N 297.315 -0.715 50 20 CBGD NC[C@H]1OCC[C@H]1C(=O)NNc1nncc(N)c1Cl 1330591582 LEQYBMMCFMLPIG-IYSWYEEDSA-N 286.723 -0.481 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@]12CCOC2)C1CCOCC1 1330831644 WUGNPMWEFDDMRY-GWCFXTLKSA-N 268.313 -0.013 50 20 CBGD O=C(NNc1nc2ccccn2n1)C1=NN2CCCN=C2N1 1331169672 TWATVROEQMITBB-UHFFFAOYSA-N 299.298 -0.849 50 20 CBGD CC1(C)C[C@@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 1337360689 JNCPLPYSEIYWDX-IUCAKERBSA-N 283.328 -0.382 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H](C)c1nnc(C)o1 1337753903 WIEIBZOVZDWRCU-NKWVEPMBSA-N 269.305 -0.025 50 20 CBGD O=C(NNC(=O)[C@H]1CCN1)c1cccc(C#CCO)c1 1580732951 KWMFARUAPGEULT-GFCCVEGCSA-N 273.292 -0.847 50 20 CBGD C#CCN(CC(=O)O)C(=O)/C(C#N)=C\c1cnn(C)c1 1588397334 DXKKGDKIXYLIIP-WZUFQYTHSA-N 272.264 -0.127 50 20 CBGD O=C(O)c1cc(C(=O)NNC(=O)[C@H]2CCCO2)[nH]n1 1605815741 UDOQBNIXLSOCKD-SSDOTTSWSA-N 268.229 -0.952 50 20 CBGD CCS(=O)(=O)CC(=O)NNc1nc(C)cc(C)n1 48912296 XMBQPOCHWORUMV-UHFFFAOYSA-N 272.330 -0.029 50 20 CBGD CNC(=O)NNC(=O)c1ccccc1S(C)(=O)=O 48949398 WHZHMEGZRRSPOC-UHFFFAOYSA-N 271.298 -0.336 50 20 CBGD COCC(=O)NN[C@@H](C(N)=O)c1ccc(F)cc1 126068896 SWGKTVVOQHARES-SNVBAGLBSA-N 255.249 -0.381 50 20 CBGD C#CCOCCC(=O)NNC(=O)c1cnn(C)c1 152373067 QYGJYTGZLGIKOV-UHFFFAOYSA-N 250.258 -0.779 50 20 CBGD CC[C@@H](C(=O)NNC(=O)c1cc(C)n[nH]1)N(C)C 152576241 ZIOFKEZWXYGSOT-VIFPVBQESA-N 253.306 -0.181 50 20 CBGD Cc1cccnc1NNC(=O)[C@@H]1CC[C@H](C(N)=O)O1 281885473 PAYXFALTJNCBBR-BDAKNGLRSA-N 264.285 -0.134 50 20 CBGD CCCNC(=O)CNC(=O)NNc1ncncc1F 292577727 ZORHKHQAYGBRGB-UHFFFAOYSA-N 270.268 -0.232 50 20 CBGD CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)C(=O)N1CCCC1 299531409 ZNSUPNZTLZJMHS-DTWKUNHWSA-N 269.301 -0.819 50 20 CBGD CC[C@@H](NS(=O)(=O)CBr)C(N)=O 307960783 WOPPUULVEDTARC-SCSAIBSYSA-N 259.125 -0.478 50 20 CBGD CC(C)COCCNC(=O)c1cccc(B(O)O)c1 584940214 RQNXBFGBLDGWMJ-UHFFFAOYSA-N 265.118 -0.231 50 20 CBGD CNC(=O)[C@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 584964612 KNZGGWRUWVNEGW-GFCCVEGCSA-N 290.128 -0.893 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N(CCO)C1CCC1 584978949 GUKQCZKFGTVDLL-UHFFFAOYSA-N 281.092 -0.508 50 20 CBGD COC[C@H](C)[C@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584992868 SARKKOFTAYGUDF-IUCAKERBSA-N 283.108 -0.094 50 20 CBGD O=C(NCCC1(CO)CC1)c1ccc(B(O)O)cc1 584996646 NLXKISGTTLRXJM-UHFFFAOYSA-N 263.102 -0.741 50 20 CBGD COC[C@H](CCNC(=O)c1ccc(B(O)O)c(F)c1)OC 585008736 QUDIYMISKQMXLV-JTQLQIEISA-N 299.107 -0.713 50 20 CBGD OC[C@@H]1CCCN1CCCCNCc1ccc(B(O)O)o1 585024011 RVRQVTOPGQVDGO-LBPRGKRZSA-N 296.176 -0.714 50 20 CBGD OB(O)c1ccc(CNC[C@H]2CCC[C@H](O)C2)o1 585025651 ZKOCGNSPEKOBKA-UWVGGRQHSA-N 253.107 -0.400 50 20 CBGD CC(=O)N1CCC[C@@H](CNCc2ccc(B(O)O)cc2)C1 585038466 AMHKDHPQNPNUTP-AWEZNQCLSA-N 290.172 -0.286 50 20 CBGD COc1cc(C)c(S(=O)(=O)NCB(O)O)cc1OC 585053880 DZMNOYGLGQOVRU-UHFFFAOYSA-N 289.118 -0.697 50 20 CBGD COc1ccc(O[C@H](C)C(=O)NCB(O)O)cc1 585060178 AREHGEJCHLZLDC-MRVPVSSYSA-N 253.063 -0.409 50 20 CBGD CC(C)(C)[C@@H](C(=O)O)C(=O)N1CC[C@@H](B(O)O)C1 585066753 NEYNVEFAQRSLDO-HTQZYQBOSA-N 257.095 -0.191 50 20 CBGD CN1CC[C@@](O)(CNS(=O)(=O)CBr)C1 702553226 ZJAXUNXLWZZXTF-SSDOTTSWSA-N 287.179 -0.675 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C2=NNC(=O)C2)c(O)c1 732273723 JHLYNBPRBQRQAU-UHFFFAOYSA-N 276.252 -0.662 50 20 CBGD O=C(COC[C@@H]1CCCO1)NNC(=O)NCC1CC1 733256597 UKAOZPIJYGAUJY-JTQLQIEISA-N 271.317 -0.078 50 20 CBGD CC(C)CONC(=O)NNC(=O)c1cnn(C)c1 749885231 NUJZNVPRAJMFCM-UHFFFAOYSA-N 255.278 -0.048 50 20 CBGD Cc1nc(S)sc1CC(=O)NNC(=O)CO 753438939 LEJPFUFNDROFBX-UHFFFAOYSA-N 261.328 -0.578 50 20 CBGD CCCc1cnc(NC(=O)C(=O)NNC(=O)CO)s1 756170429 VLVUXXABBRRNMY-UHFFFAOYSA-N 286.313 -0.826 50 20 CBGD CCC(=O)NNC(=O)N=c1cc[nH]cc1[N+](=O)[O-] 757805156 FILYKLRAEFMZRS-UHFFFAOYSA-N 253.218 -0.026 50 20 CBGD C=CCOC(=O)/C(C#N)=C/c1cn(CC(=O)O)nn1 768847448 GMZLLBLQKPTPRN-XBXARRHUSA-N 262.225 -0.001 50 20 CBGD O=C(CN[C@@H](CO)C1CC1)NNC(=O)c1ccccc1 771807138 KVHHQWDFMPOCJS-LBPRGKRZSA-N 277.324 -0.192 50 20 CBGD COc1ccnc(NNC(=O)[C@H](O)c2cnn(C)c2)n1 773775897 CBCMPTJBOTWSCY-SECBINFHSA-N 278.272 -0.605 50 20 CBGD Cc1cc(-n2cncn2)ccc1C(=O)NNC(=O)CO 777782894 VMIBDWFBQIRLPD-UHFFFAOYSA-N 275.268 -0.671 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1ccnc(F)c1 781365206 CNKBXBRUGKLZEG-UHFFFAOYSA-N 262.266 -0.787 50 20 CBGD N#C/C(=C\C1CC1)C(=O)OCC(=O)N1CCNC1=O 786673715 KTSRQEIHVJWCFE-WEVVVXLNSA-N 263.253 -0.059 50 20 CBGD Cc1ocnc1C(=O)NNC(=O)N1CCN(C)CC1 788166189 JQSNAPGVAJJCDN-UHFFFAOYSA-N 267.289 -0.415 50 20 CBGD COc1ccc(CC(=O)NNC(=O)c2cnn(C)c2)nc1 789956594 SEJBWWIBROEJBA-UHFFFAOYSA-N 289.295 -0.173 50 20 CBGD CC(C)(C(=O)NNC(=O)C(=O)NC1CC1)C(F)F 792024650 BEUOKJOGBRMZKF-UHFFFAOYSA-N 263.244 -0.296 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@](C)(C(=O)NC)C1 797525331 IPZIMSGJAQUHFY-NOZJJQNGSA-N 284.360 -0.610 50 20 CBGD O=C(NNC(=O)c1nnc(O)nc1O)Nc1ccccc1 801987774 XQBKPQRXHFLIID-UHFFFAOYSA-N 290.239 -0.251 50 20 CBGD C=C[C@@H](O)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1 814549089 ZFUUPSWLOGSQRA-LLVKDONJSA-N 292.291 -0.154 50 20 CBGD CC1(C=NNC(=O)CNC(=O)c2cccnc2)COC1 814873569 HTATUTSNCJIUMH-UHFFFAOYSA-N 276.296 -0.050 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O 823846965 PVBCPTQKTOSWBD-JGVFFNPUSA-N 297.277 -0.211 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCCC[C@H]1CO 827410972 CZLDZFQVEXHAQG-JTQLQIEISA-N 257.334 -0.363 50 20 CBGD COCC(=O)NN[C@H](C(=O)O)c1cccc(C#N)c1 831541274 QNGZYCBDPAQAEV-NSHDSACASA-N 263.253 -0.049 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H](C)NS(=O)(=O)CC 831854272 UCGYZMKFPFYJTA-ZETCQYMHSA-N 280.350 -0.993 50 20 CBGD O=C(NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1)C(=O)NC1CC1 833149134 GDEUSGKPCOTGRS-YUMQZZPRSA-N 297.311 -0.697 50 20 CBGD O=C(O)[C@H]1CCC[C@@H](C(=O)NNC(=O)N2CCOCC2)C1 833185065 VHPJWRZZJZLXDK-ZJUUUORDSA-N 299.327 -0.050 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n[nH]1 843980673 WDRVXCKPAVTQKQ-PSASIEDQSA-N 266.301 -0.167 50 20 CBGD C[C@]1(C(=O)NNC(=O)c2cc[nH]n2)CCCOC1 855356217 JAFDCCMUJHPDOP-NSHDSACASA-N 252.274 -0.013 50 20 CBGD CC(C)[C@H](C(=O)NNC(=O)c1cc[nH]n1)N(C)C 855357198 DEGFBWWPZNVDBZ-SECBINFHSA-N 253.306 -0.243 50 20 CBGD O=C(CC[C@H]1CCOC1)NNC(=O)c1cc[nH]n1 855357618 NDBQKWJLGXLLFH-QMMMGPOBSA-N 252.274 -0.013 50 20 CBGD COC(=O)CCC(C)(C)NC(=O)c1ccc(B(O)O)cc1 863872928 PYDMJNHBLMYWFS-UHFFFAOYSA-N 293.128 -0.172 50 20 CBGD CN1CCN(C(=O)NNC(=O)CN(C)C2CCC2)CC1 863908485 ASVJLGARUOOPEY-UHFFFAOYSA-N 283.376 -0.541 50 20 CBGD CCCNC(=O)NNC(=O)/C=C/CN1CCOCC1 865024181 ZYVCDCNCKPONBK-ONEGZZNKSA-N 270.333 -0.385 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCC[C@@H]1F 872350711 DZOYMVULWBNTHH-BQBZGAKWSA-N 265.310 -0.082 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@H]1C1OCCO1 888447099 JQVPXTPQCKUBKO-GFCCVEGCSA-N 291.112 -0.656 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnc(Cl)n1C 896127849 CTAIDSVGFUXEOE-UHFFFAOYSA-N 259.697 -0.604 50 20 CBGD Cn1cc([C@@H](O)C(=O)NNC(=S)NC(C)(C)C)cn1 899997499 VRTHJPBHBBQRJN-MRVPVSSYSA-N 285.373 -0.253 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCC(=O)N1C 911502906 MZGYYDXDSNYIBA-GUBZILKMSA-N 283.328 -0.430 50 20 CBGD C[C@H](Cc1ccco1)NC(=O)NNC(=O)C(=O)NC1CC1 916509706 SIFVTCFRPNPBAG-MRVPVSSYSA-N 294.311 -0.180 50 20 CBGD CCO[C@H]1C[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 920432607 CWJNWZOKRZVPFH-IUCAKERBSA-N 269.301 -0.819 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCCC(C)(C)CO 1116235517 AFYINWSHNPNGQQ-UHFFFAOYSA-N 275.305 -0.712 50 20 CBGD O=C(CO)NNC(=O)CCCc1nc(C2CC2)no1 1116554625 ZIHPWGFHWRYJBP-UHFFFAOYSA-N 268.273 -0.591 50 20 CBGD COCCOCC(=O)NNC(=O)Cc1cccnc1C 1118980292 CESAACMTPVGJKT-UHFFFAOYSA-N 281.312 -0.257 50 20 CBGD C[C@H](Sc1nncn1C)C(=O)NN(C)[C@@H](C)CO 1119103863 FTAMUGFGWMPRTM-YUMQZZPRSA-N 273.362 -0.361 50 20 CBGD Cn1cc(CCC(=O)NNC(=O)CN2CCCC2=O)cn1 1119599325 FVCRCONLJCDHHC-UHFFFAOYSA-N 293.327 -0.878 50 20 CBGD COCC(=O)NN=Cc1cn(Cc2cccnc2)nn1 1254525511 XVHHAHRICYAYOD-UHFFFAOYSA-N 274.284 -0.182 50 20 CBGD CCC(O)(CC)CCNC(=O)NNC(=O)C(=O)OC 1255624185 JDAYRNZVHGJDQB-UHFFFAOYSA-N 275.305 -0.569 50 20 CBGD CCCNC(=O)NNC(=O)[C@H](C)[C@H]1CCC(=O)N1 1261792896 PMIFZXSXPMUGEC-HTQZYQBOSA-N 256.306 -0.359 50 20 CBGD Cc1c(CCC(=O)NNC(=O)[C@H]2CCC(=O)N2)cnn1C 1261841790 CYCFCSBWBNURPS-SNVBAGLBSA-N 293.327 -0.913 50 20 CBGD CC[C@H](F)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1262579688 WZCINFMGGYOZDT-BQBZGAKWSA-N 266.294 -0.683 50 20 CBGD O=C(NC[C@@H]1COCCO1)NNC(=O)c1ccc[nH]1 1317933984 BGMAHYYQRNDWQX-MRVPVSSYSA-N 268.273 -0.626 50 20 CBGD CCc1onc(C)c1NC(=O)C(=O)NNC(=O)OC 1320542930 IYFSAHYDVWGOTI-UHFFFAOYSA-N 270.245 -0.129 50 20 CBGD COc1cccc(C(=O)NNc2ccc(C(N)=O)nn2)n1 1332223818 NBSOTJRDZPADEJ-UHFFFAOYSA-N 288.267 -0.264 50 20 CBGD O=C(c1ccc2nncn2c1)N1CC[C@@H](B(O)O)C1 1335434911 YMFHZGVJVUXTDI-SECBINFHSA-N 260.062 -0.582 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cnn(C)c1Cl 1348010685 KEEDQKPKUHYHPU-UHFFFAOYSA-N 287.707 -0.641 50 20 CBGD N#CCc1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cc1 1348490569 SQLCCTCPWSXBNV-NSHDSACASA-N 294.141 -0.010 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])N1 1349543412 RCSGJGGTSLAFOC-QMMMGPOBSA-N 292.251 -0.366 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)C2CCSCC2)N1 1351715370 FDAWNEMSRKCCCU-MRVPVSSYSA-N 271.342 -0.444 50 20 CBGD C/C(=C\C(=O)NNC(=O)C1CC1)C(=O)NNC(=O)C1CC1 1527518444 VQOVPKRYMALJKG-VOTSOKGWSA-N 294.311 -0.953 50 20 CBGD COCCNCC(=O)NNC(=O)CNc1ccc(C)cc1 1579044387 KABKOXAPEVWWGE-UHFFFAOYSA-N 294.355 -0.210 50 20 CBGD COc1cccc(C[C@H](N)C(=O)NN(C)[C@@H](C)CO)c1 1579273939 CISBGRVUFNZGFO-GWCFXTLKSA-N 281.356 -0.091 50 20 CBGD Cc1cccc(OCC(=O)NNC(=O)NCCCON)c1 1579772976 QHBYESGPDAFWPV-UHFFFAOYSA-N 296.327 -0.015 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H](C(=O)O)C2CCCC2)nn1 1594530279 JSNMSGDMGUTTJI-SECBINFHSA-N 295.299 -0.533 50 20 CBGD COC(=O)c1cc(C=NNC(=O)C(=O)O)oc1C 1606540038 LFKDHNOKZKBDLJ-UHFFFAOYSA-N 254.198 -0.091 50 20 CBGD CCS(=O)(=O)CC(=O)NNC(=O)c1ccccc1 48889000 PFHKCMSSOMNZHE-UHFFFAOYSA-N 270.310 -0.118 50 20 CBGD CNC(=O)NNC(=O)c1ccc(CNC(C)=O)cc1 48949683 ILXIGHXWXODJOP-UHFFFAOYSA-N 264.285 -0.104 50 20 CBGD CN(C)CC(=O)NNC(=O)Cc1ccc2c(c1)CCO2 75653479 CKLJPFQHKGBIAF-UHFFFAOYSA-N 277.324 -0.127 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)Cn2cnnn2)c1 103403397 YRNVGHHGXHBBPV-UHFFFAOYSA-N 271.240 -0.994 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)[C@H](C)CO1 112976690 DWBWXGLRSLKVLF-RKDXNWHRSA-N 255.318 -0.347 50 20 CBGD Cn1cnnc1CNS(=O)(=O)CBr 127336958 QLCIKCXVPGBFPP-UHFFFAOYSA-N 269.124 -0.413 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CN1CCSC1=O 264681149 ONZRWJGBVSKKEO-UHFFFAOYSA-N 282.325 -0.045 50 20 CBGD COCCCNC(=O)NNC(=O)/C=C/CN(C)C 265632808 JVZOBKYZCGTETL-GQCTYLIASA-N 258.322 -0.529 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2CCC(=O)N2)n1 266902164 HLZDDSUYCBPOSC-ZETCQYMHSA-N 265.273 -0.485 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)[C@H]2COCCO2)o1 269322241 MZGRDCUEKZXLME-SECBINFHSA-N 298.251 -0.757 50 20 CBGD COC(=O)N(C)NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 286259704 HJPBQESRWQLULR-IUCAKERBSA-N 297.311 -0.109 50 20 CBGD C/C=C(/CC)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 290297563 SGEJBIASOUUSIY-BJMRUTCWSA-N 277.346 -0.572 50 20 CBGD C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1cccc(B(O)O)c1 405002897 OOKRVPIOMVSQCV-BXKDBHETSA-N 290.128 -0.533 50 20 CBGD CCOCCCNC(=O)c1cc(B(O)O)ccc1F 584924342 HJSXRHQPKGASLY-UHFFFAOYSA-N 269.081 -0.338 50 20 CBGD COCCCCCNC(=O)c1ccc(B(O)O)cc1 584937348 UABQUQJFHURRNP-UHFFFAOYSA-N 265.118 -0.087 50 20 CBGD CCN(C(=O)c1ccc(B(O)O)c(F)c1)[C@H]1CCOC1 584991328 BINZRFADHFVWQN-JTQLQIEISA-N 281.092 -0.244 50 20 CBGD CC(C)COC[C@@H](O)CNCc1cccc(B(O)O)c1 585018054 GHPJOGLAPIBPJL-AWEZNQCLSA-N 281.161 -0.511 50 20 CBGD O=C1C[C@H](NCc2ccc(B(O)O)o2)[C@@H]2CCCCN12 585041813 HDDGAWZWVHPYFN-QWRGUYRKSA-N 278.117 -0.798 50 20 CBGD CN1CCO[C@@H](c2nc(-c3ccc(B(O)O)cc3)no2)C1 585054869 OATBMLHMKFZPQU-LLVKDONJSA-N 289.100 -0.581 50 20 CBGD CCCCNC(=O)NNS(=O)(=O)c1ccn(C)n1 727362484 SLUTVBKRVIJDTA-UHFFFAOYSA-N 275.334 -0.287 50 20 CBGD Cn1c(C(=O)NNC(=O)c2cnn[nH]2)ccc1[N+](=O)[O-] 729456664 ZUOGIZKAOZLGAO-UHFFFAOYSA-N 279.216 -0.874 50 20 CBGD CN1CCN(C)[C@H](CNC(=O)NNc2ccccn2)C1 732253414 HKLFSINNVZYKDD-LLVKDONJSA-N 278.360 -0.047 50 20 CBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cnn[nH]2)C[C@H](C)O1 732260192 PLLWHYKUMJBIOE-IUCAKERBSA-N 296.331 -0.935 50 20 CBGD CN1C[C@H](NC(=O)NNC(=O)CC(F)(F)F)CC1=O 750652523 BWTTUCHLNDVPSS-RXMQYKEDSA-N 282.222 -0.500 50 20 CBGD O=C(CNC(=O)c1cccs1)NNC(=O)c1cc[nH]n1 751207009 YCVCZNOJPBTMOP-UHFFFAOYSA-N 293.308 -0.338 50 20 CBGD CC(C)C(=O)NNS(=O)(=O)c1ccc(C#N)nc1 751262506 FYCFCBKSXOMROE-UHFFFAOYSA-N 268.298 -0.081 50 20 CBGD C#CCOCCC(=O)NNc1ccc(C(N)=O)nn1 756782288 NVYOMCUWTAFNOB-UHFFFAOYSA-N 263.257 -0.942 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCNC(=O)C2)o1 760719630 OTIGDNLVSBGXNE-MRVPVSSYSA-N 265.269 -0.125 50 20 CBGD COc1nc(C)ccc1C(=O)NNC(=O)C(=O)NC1CC1 777280001 VVPOXVJHHXHQDC-UHFFFAOYSA-N 292.295 -0.562 50 20 CBGD COc1cc(C(=O)NNC(=O)CO)cc2c1OCCO2 777781687 BCRNQWIDGHHHMX-UHFFFAOYSA-N 282.252 -0.780 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1ccc2c(c1)OCO2 777930413 YYBBWKRJXAUDHF-UHFFFAOYSA-N 287.297 -0.072 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cnc(N(C)C)cn1 779663563 JMJIVIJGHYLQMK-UHFFFAOYSA-N 289.299 -0.351 50 20 CBGD C[C@H](OC[C@H]1CCCO1)C(=O)NNC(=O)C(C)(C)O 787947519 RWERTJXVVCOJEL-DTWKUNHWSA-N 274.317 -0.511 50 20 CBGD COCCOCCNC(=O)NNC(=O)c1cccc(C)n1 792851370 UNXCJENRBSVMNX-UHFFFAOYSA-N 296.327 -0.003 50 20 CBGD Cc1cccc(C(=O)NNC(=O)NCCC(=O)N(C)C)n1 792865580 VZCHUIHOMGPFCV-UHFFFAOYSA-N 293.327 -0.188 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc2n(n1)CCO2 811352387 WJDFUMTWICZYAB-ZETCQYMHSA-N 296.283 -0.622 50 20 CBGD COCCO[C@@H](C)C(=O)NN=Cc1cnc(N(C)C)n1C 811643562 FTQIVMXOIQNWPY-JTQLQIEISA-N 297.359 -0.012 50 20 CBGD COC(=O)CNC(=O)NNC(=S)NC1CCC1 814203296 VBMFZLLDYUQOAS-UHFFFAOYSA-N 260.319 -0.610 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1COCCN1CC(F)(F)F 823927843 HLTQGFUHROTOSC-DTWKUNHWSA-N 299.293 -0.407 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NN(C)[C@@H](C)CO 823938772 ASTLBBRJFOKAHF-QWRGUYRKSA-N 259.350 -0.702 50 20 CBGD CC(=NNC(=O)CO)c1ccc(-c2nn[nH]n2)cc1F 823948744 VVOPTPMJEPRCRC-UHFFFAOYSA-N 278.247 -0.162 50 20 CBGD Cc1n[nH]cc1CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 825767649 XLJMKBPPEWWMQK-SCZZXKLOSA-N 281.316 -0.026 50 20 CBGD CC(C)c1nnnn1CC(=O)NNC(=O)[C@H]1CCCCO1 833246446 KQZSAEBFABRCHB-SECBINFHSA-N 296.331 -0.487 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CCCN1C(=O)C1CC1 843776195 YMAQNDSPNHPLDM-QMMMGPOBSA-N 254.290 -0.652 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1CCCS1(=O)=O 848226158 QYIJHMILFXITLT-ZETCQYMHSA-N 286.313 -0.495 50 20 CBGD O=CN1CCC[C@H]1C(=O)NNC(=O)c1ccc[nH]1 854278456 VYWWXQWCRJKGQY-VIFPVBQESA-N 250.258 -0.604 50 20 CBGD CCS(=O)(=O)CC(=O)NNC(=S)NCC1CCC1 855092218 VMKWPLFBWSIQJL-UHFFFAOYSA-N 293.414 -0.284 50 20 CBGD O=C(COCC1CCCC1)NNC(=O)[C@H]1CCC(=O)N1 862461410 OXRNBBJLIRNDFI-SNVBAGLBSA-N 283.328 -0.381 50 20 CBGD CS[C@@H](C)CCC(=O)NNC(=O)CS(C)(=O)=O 863463999 CGAJLFVEWMTQEF-ZETCQYMHSA-N 282.387 -0.290 50 20 CBGD CCc1ccnc(C(=O)NNC(=O)CS(C)(=O)=O)c1 863464426 OPOQCQDWVVCPON-UHFFFAOYSA-N 285.325 -0.550 50 20 CBGD CCCN1CCC[C@@H]1C(=O)NNC(=O)COCCOC 869909261 OSXCAONRMWYOHG-LLVKDONJSA-N 287.360 -0.329 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@H]2CC[C@H]1[C@H](O)C2 887039272 GOQWSLKQZFTPJX-GARJFASQSA-N 269.345 -0.365 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccnn1CCN(C)C 910145933 GDQYSOFDWZCFDC-JTQLQIEISA-N 269.349 -0.598 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 910174746 WOXHLYDWBYRVKS-RKDXNWHRSA-N 255.318 -0.659 50 20 CBGD O=C(CN1CCCNC1=O)NNC(=O)c1ccccn1 915260015 VLFPKGNBSDQESO-UHFFFAOYSA-N 277.284 -0.742 50 20 CBGD C[C@H]1COC[C@@H]1NC(=O)c1cc(B(O)O)ccc1F 928884307 LOIOXCCOBARMDR-CPCISQLKSA-N 267.065 -0.730 50 20 CBGD Cc1cc(NNC(=O)c2c[nH]c(C(N)=O)c2)ncn1 1116075093 XSWKFDWTOCWLQK-UHFFFAOYSA-N 260.257 -0.031 50 20 CBGD Cc1nn(CCC#N)c(C)c1CCC(=O)NNC(=O)CO 1116554225 KWDBPPNHQLKLJZ-UHFFFAOYSA-N 293.327 -0.514 50 20 CBGD O=C(NCC1CC1)C(=O)NNc1ncncc1F 1117730671 ORWDNBXTHZJFNF-UHFFFAOYSA-N 253.237 -0.415 50 20 CBGD O=C(NNc1ccncn1)[C@H]1CCc2nncn2C1 1328605054 CCTDDCLRTXJFFW-QMMMGPOBSA-N 259.273 -0.226 50 20 CBGD Cc1cnccc1C(=O)NNC(=O)CS(C)(=O)=O 1329126166 GEGVXAJSWBWFES-UHFFFAOYSA-N 271.298 -0.804 50 20 CBGD Cn1ccnc(NNC(=O)CCc2cn[nH]c2)c1=O 1330226847 ZHZQYPUJLHOTEH-UHFFFAOYSA-N 262.273 -0.421 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCCS(=O)(=O)C1 1330261219 LFELDWPWPJJFGN-IUCAKERBSA-N 264.347 -0.845 50 20 CBGD O=C(NCCCCCCO)NNC(=O)c1cn[nH]c1 1334907254 NRCIAZBAHFONDN-UHFFFAOYSA-N 269.305 -0.094 50 20 CBGD C[C@@H](NNC(=O)CN1C(=O)CNC1=O)C(F)(F)F 1335315242 XXSSMHHDFVYOEM-SCSAIBSYSA-N 268.195 -0.890 50 20 CBGD CC(C)NC(=S)NNC(=O)CCn1ccnn1 1338749975 JRALTARGCHZNEJ-UHFFFAOYSA-N 256.335 -0.428 50 20 CBGD CNC(=O)NNC(=O)c1cn(C)nc1-c1cnn(C)c1 1343145725 BWSIMDBTOUUYME-UHFFFAOYSA-N 277.288 -0.606 50 20 CBGD CSCCNC(=S)NNC(=O)c1cc(CO)on1 1351809319 IAVYORWZCHOZEL-UHFFFAOYSA-N 290.370 -0.361 50 20 CBGD COc1coc(C(=O)NN(C)[C@@H](C)CO)cc1=O 1352228249 CCRNGHOOHPAXLZ-ZETCQYMHSA-N 256.258 -0.394 50 20 CBGD CC[C@@](C)(O)C(=O)NNC(=O)NC1CCNCC1 1576962143 ZOIVOKOQWHOLHK-LLVKDONJSA-N 258.322 -0.770 50 20 CBGD CO[C@](C)(C(=O)O)C(=O)NNC(=O)c1cccc(C)n1 1593926344 HFBVLEPDGZPJOG-LBPRGKRZSA-N 281.268 -0.359 50 20 CBGD O=C(O)c1ccc(C(=O)NNC(=O)c2ncccn2)nc1 1595220824 IUOOLGAZKABLKF-UHFFFAOYSA-N 287.235 -0.355 50 20 CBGD Cc1cnc([C@@H](C)CNC(=O)NNC(=O)C(=O)O)s1 1600617510 LDSWGSJYAVNALJ-YFKPBYRVSA-N 286.313 -0.030 50 20 CBGD O=C(O)CNC(=O)NN=Cc1cn(C2CCC2)nn1 1602071999 HOWXLEGKMORYIT-UHFFFAOYSA-N 266.261 -0.279 50 20 CBGD CCCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)o1 1604221161 AJSISXLXRKDUOP-UHFFFAOYSA-N 279.260 -0.186 50 20 CBGD Cc1c(/C=C(/C#N)C(N)=O)cc(-c2nn[nH]n2)n1C 1605486753 RMJNVUMAYXZLFP-BAQGIRSFSA-N 257.257 -0.094 50 20 CBGD O=C(CN1CCOCC1)NNC(=O)c1cccs1 20458528 KYQOVBVNKVQQLF-UHFFFAOYSA-N 269.326 -0.159 50 20 CBGD C[C@@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)CN(C)C 113425844 SBOJGBPBTGTPMS-MRVPVSSYSA-N 272.349 -0.754 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)CN(C)C(C)C)n1 127378279 SXNWIUBVWMDBAL-UHFFFAOYSA-N 281.360 -0.012 50 20 CBGD CC(=O)NCC(=O)NCC(=O)NNc1cc(C)cc(C)c1 158716908 VGLSZWTWAGPEAF-UHFFFAOYSA-N 292.339 -0.001 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CN(C)CCO2)c(O)c1 267993446 KZSFGDLKLUANGY-LBPRGKRZSA-N 293.323 -0.208 50 20 CBGD CN(NC(=O)[C@H]1COc2ccccc2O1)C(N)=O 272249275 ZABQFZCAXBHBSY-SECBINFHSA-N 251.242 -0.132 50 20 CBGD COc1cccc(C(=O)NNC(=O)C(C)(C)O)c1O 276221537 IILBNJBFBWJZKP-UHFFFAOYSA-N 268.269 -0.067 50 20 CBGD COC(=O)N[C@H](C(=O)NNC(=O)c1c[nH]nc1C)C(C)C 491343082 WBNNCGFLQYPJLU-VIFPVBQESA-N 297.315 -0.140 50 20 CBGD Cc1cn2c(n1)CC[C@@H](NC(=O)c1ccc(B(O)O)cc1)C2 584936298 HADMALOTECLZPH-CYBMUJFWSA-N 299.139 -0.384 50 20 CBGD O=C(NC[C@H]1CCC[C@H](O)C1)c1cc(B(O)O)ccc1F 584950266 LGDRZGCFRSCOGN-ONGXEEELSA-N 295.119 -0.214 50 20 CBGD C[C@H]1C[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)CCN1C 584950414 KIERBPWQSGLILB-GXSJLCMTSA-N 294.135 -0.282 50 20 CBGD CC(C)[C@](C)(O)CNC(=O)c1ccc(B(O)O)cc1 584953655 FQTPXKAITPVNOT-CYBMUJFWSA-N 265.118 -0.497 50 20 CBGD O=C(N[C@H]1CCCOCC1)c1cc(B(O)O)ccc1F 584971670 WWYBSMGKODOEIH-JTQLQIEISA-N 281.092 -0.196 50 20 CBGD C[C@@H](CCO)CCNC(=O)c1ccc(B(O)O)cc1 584995761 YQLVJBBYUYPSGJ-SNVBAGLBSA-N 265.118 -0.495 50 20 CBGD O=C(NC[C@H]1CC1(F)F)c1cccc(B(O)O)c1 584999613 FXKOKSABMKVMJQ-MRVPVSSYSA-N 255.029 -0.249 50 20 CBGD CC(C)(O)CSCCNCc1cccc(B(O)O)c1 585024287 WOTXCAVXRWTCPS-UHFFFAOYSA-N 283.202 -0.040 50 20 CBGD OB(O)c1ccccc1CN[C@@H]1CCc2n[nH]cc2C1 585029063 CFJWQRVECPLLHS-GFCCVEGCSA-N 271.129 -0.263 50 20 CBGD OB(O)c1ccc(CNCCOc2ncccc2F)o1 585030488 UCTSDNSSDIKPFS-UHFFFAOYSA-N 280.064 -0.338 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)o1)C(=O)NCc1ccco1 585032892 PQUATCZHTFFSLQ-SECBINFHSA-N 292.100 -0.653 50 20 CBGD COC[C@H](CNCc1ccccc1B(O)O)OC 585034349 IHNTZFBQXBFEPP-NSHDSACASA-N 253.107 -0.883 50 20 CBGD CCc1nc([C@@H](C)NCc2cccc(B(O)O)c2)n[nH]1 585034718 NACDDMSVHNBBGE-SECBINFHSA-N 274.133 -0.102 50 20 CBGD C[C@@H](Cc1cnn(C)c1)NCc1ccc(B(O)O)cc1 585044707 QVWSMNANGMHIEM-NSHDSACASA-N 273.145 -0.179 50 20 CBGD N#CCC1(CS(=O)(=O)N2CC[C@@H](B(O)O)C2)CC1 585055821 FPBOXOYUNGGOKB-SECBINFHSA-N 272.135 -0.441 50 20 CBGD CC(C)NC(=O)NNC(=O)CN1CCCNC1=O 745139870 VZLGTQOYWPYBMP-UHFFFAOYSA-N 257.294 -0.860 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 746176615 OKERIGXDEIZEKK-JTQLQIEISA-N 299.375 -0.865 50 20 CBGD C[C@]1(C(=O)NNC(=O)C(=O)N2CCCC2)CCOC1 755209449 CTHCPMCGLFEUDZ-LBPRGKRZSA-N 269.301 -0.817 50 20 CBGD Cc1ncc(C(=O)NNC(=O)Cc2cc[nH]n2)c(C)n1 755274794 BUBIGFDLFKMUQB-UHFFFAOYSA-N 274.284 -0.180 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CCSC1 762167663 MHCSLULIXHHVLU-MRVPVSSYSA-N 297.336 -0.090 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1cc(F)ccc1Cl 764420685 DVWXSQMJUBXGGZ-UHFFFAOYSA-N 289.650 -0.443 50 20 CBGD CCOCC(=O)NNC(=S)NCc1ccon1 764476879 GBHFFPLELIBMHD-UHFFFAOYSA-N 258.303 -0.294 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCCOC 772020904 FTHAGUFKYPKODQ-MRVPVSSYSA-N 260.290 -0.098 50 20 CBGD CCN1CCN(CC(=O)NNC(=O)C2CC2)C(C)(C)C1=O 778244752 ZVHZDTPBTOEQGB-UHFFFAOYSA-N 296.371 -0.514 50 20 CBGD CC(C)C(=O)NNC(=O)NCC(=O)NCC1CC1 778767835 WEUPOIRQLMUPOT-UHFFFAOYSA-N 256.306 -0.501 50 20 CBGD COCCn1ccc(C(=O)NNC(=O)N2CCOCC2)n1 784376920 PHQPFDNEPIBPSM-UHFFFAOYSA-N 297.315 -0.784 50 20 CBGD C[C@H](C(=O)NNC(=O)C(C)(C)O)N1CCSCC1 787947812 YFOZIINVLPBOSM-MRVPVSSYSA-N 275.374 -0.658 50 20 CBGD CC(C)(C(N)=O)C(=O)NNC(=O)N=c1cc[nH]cc1 802027838 YGSBYEQYESPJEV-UHFFFAOYSA-N 265.273 -0.832 50 20 CBGD C[C@H](O)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 824677310 CYDADKOSFSCMIG-BYPYZUCNSA-N 283.679 -0.261 50 20 CBGD CC(=NNC(=O)c1cccnc1)c1cn(CC(=O)O)nn1 825804693 UWNAGSLHMSKFLT-UHFFFAOYSA-N 288.267 -0.088 50 20 CBGD CCN(CC(=O)O)CC(=O)NNC(=O)C(C)(C)C 829628740 YCFSZHDEACPCRC-UHFFFAOYSA-N 259.306 -0.414 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H](C)C[C@@H](C)N 831211262 FDQTVQGGUHLGLZ-OPRDCNLKSA-N 290.364 -0.506 50 20 CBGD NNC(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 841834968 FRJIWFPKEADBSF-JTQLQIEISA-N 278.312 -0.161 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CN(C)C(=O)C1CC1 843974324 CAOBVACLYCJBGG-WCBMZHEXSA-N 283.328 -0.573 50 20 CBGD CO[C@@H](C=NNC(=O)[C@H](C)NS(C)(=O)=O)C1CC1 853303913 TXEXGRIYJTXISV-CBAPKCEASA-N 277.346 -0.549 50 20 CBGD CNC(=S)N(C)NC(=O)CCCNC(=O)C1CC1 854926100 VPXBZBGNCJIQFP-UHFFFAOYSA-N 272.374 -0.240 50 20 CBGD O=C(NNC(=O)[C@H]1CCn2cncc2C1)c1cc[nH]n1 855357435 JGIIOTRMDCHNEO-QMMMGPOBSA-N 274.284 -0.370 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@H](C)[C@@H](CO)C1 856797934 MIBMVKRQETZJIX-WDEREUQCSA-N 271.361 -0.260 50 20 CBGD COC(=O)c1ccc(C=NNC(=O)CS(C)(=O)=O)cc1 863188888 QZVWYANIFHCCTI-UHFFFAOYSA-N 298.320 -0.032 50 20 CBGD CC(C)[C@]1(C)C[C@@H]1C(=O)NNC(=O)CS(C)(=O)=O 863464546 IPTMBDMZEIVJPO-KCJUWKMLSA-N 276.358 -0.139 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@]12CCOC2=O 863879009 MEGKFQOGMOBRMH-CQSZACIVSA-N 289.096 -0.712 50 20 CBGD O=C(N[C@@H](CO)C1CC1)c1cc(B(O)O)ccc1F 867172367 SIYHRMOZATVQFY-NSHDSACASA-N 267.065 -0.994 50 20 CBGD COCCOCC(=O)NN=C1CCS(=O)CC1 872402032 RZUKOZPKUMYFKV-UHFFFAOYSA-N 262.331 -0.336 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCCCS1(=O)=O 877999983 NXDLLVIYQPKZIY-UHFFFAOYSA-N 277.346 -0.785 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnc(C2CC2)o1 878681765 ZZUUUJTUCGYGAO-UHFFFAOYSA-N 252.274 -0.125 50 20 CBGD CC[C@@]1(C(=O)NNc2ccnc(N(C)C)n2)CCNC1=O 878920622 SUUWOVKAJJZURQ-CYBMUJFWSA-N 292.343 -0.098 50 20 CBGD COCC1(S(=O)(=O)NNC(=O)Cc2cccnc2)CC1 882699871 NMHYRJZWLPYDDI-UHFFFAOYSA-N 299.352 -0.246 50 20 CBGD CC(=O)NNC(=O)c1cc([C@@H]2CCCN2C)[nH]n1 895477095 UOEIDXZJLYYUSY-JTQLQIEISA-N 251.290 -0.043 50 20 CBGD COCCCNC(=O)NNC(=O)CN(C)C1CCC1 900384744 LVDCEQMMDJARGS-UHFFFAOYSA-N 272.349 -0.162 50 20 CBGD C[C@H](O)CN(C)NC(=O)C(C)(C)N1CCOCC1 910152507 MSGZVIHIVFIZCT-JTQLQIEISA-N 259.350 -0.559 50 20 CBGD COC(=O)CC(=O)NNC(=O)OCC(F)(F)F 912596339 DRXQOUBJFIMYOJ-UHFFFAOYSA-N 258.152 -0.131 50 20 CBGD C=CCNC(=S)NNC(=O)C1(C#N)CCOCC1 1116896823 UPWBLGKJDYVAEO-UHFFFAOYSA-N 268.342 -0.012 50 20 CBGD Cc1nnc(CNC(=O)NNC(=O)C2CCC2)n1C 1318719126 RJNVTNWRXKRUEE-UHFFFAOYSA-N 266.305 -0.246 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccoc1C 1319004201 RQCBXPHSXMIDHW-UHFFFAOYSA-N 255.230 -0.409 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(C(=O)OC)nc1 1320102455 BONUXLSQPFIPRG-UHFFFAOYSA-N 266.257 -0.168 50 20 CBGD COCCOC1CCC(C(=O)NNC(=O)CO)CC1 1325020206 LBJGRVWGVCZHDH-UHFFFAOYSA-N 274.317 -0.652 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCS(=O)(=O)C1)C1CCC1 1328679307 NUZAGLSFPLRBFE-SECBINFHSA-N 274.342 -0.241 50 20 CBGD COC[C@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)C[C@@H](C)O1 1328803530 DMTLARZPKZQMPX-PSASIEDQSA-N 297.315 -0.500 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@@H]1CCCS1(=O)=O 1329087924 CVFOXILCGGHMSH-YFKPBYRVSA-N 288.247 -0.337 50 20 CBGD Cc1csc([C@@H](C)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 1329171624 FXPKVAPUWOQOGQ-YUMQZZPRSA-N 296.352 -0.019 50 20 CBGD CC(CS(C)(=O)=O)=NNC(=O)C1CCOCC1 1331362422 XEADVBRHTLDBNS-UHFFFAOYSA-N 262.331 -0.050 50 20 CBGD C[C@@H](C(=O)NNC(=O)CN1CCCC1=O)n1cccc1 1335089015 DNQVWMVTFDATJZ-JTQLQIEISA-N 278.312 -0.181 50 20 CBGD COC(=O)c1cccc(C(=O)NN(C)C(N)=O)n1 1337072706 JLEYSSJFTHZWKU-UHFFFAOYSA-N 252.230 -0.477 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@@H](C)c1cnn(C)c1 1348740326 AKLFMQDZIFIBKL-SNVBAGLBSA-N 298.343 -0.276 50 20 CBGD CCN(CC)CC[C@@H](C)NC(=O)NNC(=O)C(=O)OC 1520165627 OKTVAHSDACPTCZ-SECBINFHSA-N 288.348 -0.390 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)C[C@@]1(O)CCCNC1 1575141983 TXWPVZPISKCLPZ-LBPRGKRZSA-N 288.417 -0.215 50 20 CBGD Nc1nc(C2CC2)ncc1C(=O)NNC(=O)[C@H]1CCN1 1580469148 ZTGLYXBDPMEHCI-MRVPVSSYSA-N 276.300 -0.941 50 20 CBGD C#CCCCC(=O)NNC(=O)c1cc(C(=O)O)nn1C 1588391482 HXZHDRUICNCTMD-UHFFFAOYSA-N 278.268 -0.317 50 20 CBGD C#C[C@H]1CC[C@H](NC(=O)NNC(=O)C(=O)O)CC1 1588511317 UHURLYAUBLLXIE-ZKCHVHJHSA-N 253.258 -0.407 50 20 CBGD CC(C)(CCC(=O)O)NC(=O)c1cc(B(O)O)ccc1F 1588764243 SANCYNDLTJIXGZ-UHFFFAOYSA-N 297.091 -0.121 50 20 CBGD C[C@H](CNC(=O)NNC(=O)C(=O)O)CN1CCCCC1 1592675826 IORDUVOITAUNGM-SECBINFHSA-N 286.332 -0.477 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNC(=O)[C@H]1CCCS1 1593908829 MDWYFBMKMAPAKD-RITPCOANSA-N 262.287 -0.871 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@H](C(=O)O)C(C)C)n[nH]1 1594300333 GAILFLLVOATYRI-JTQLQIEISA-N 282.300 -0.235 50 20 CBGD O=C(Cc1ccc(C(=O)O)nc1)NNC(=O)[C@H]1CCCO1 1601357580 BUYRTKCSZXAOJJ-SNVBAGLBSA-N 293.279 -0.351 50 20 CBGD COC1(CCNC(=O)NNC(=O)C(=O)O)CCC1 1606714031 DAEXGYWSPXZUOS-UHFFFAOYSA-N 259.262 -0.639 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cnccn2)n1 30856908 HNOPHOCWYPMIQR-UHFFFAOYSA-N 274.284 -0.249 50 20 CBGD O=C(CN1CCN(CC2CC2)CC1)NNC(=O)C1CC1 112977312 OIUNJLRCGYLCQP-UHFFFAOYSA-N 280.372 -0.429 50 20 CBGD COCC(=O)NNC(=O)Cc1cn2ccccc2n1 173875911 BZNFRWQIDSVPSY-UHFFFAOYSA-N 262.269 -0.329 50 20 CBGD CCOC(=O)/C(C#N)=C\Nn1cnc2c(cnn2C)c1=O 255279398 YIFXGWOIVYZYEK-YVMONPNESA-N 288.267 -0.356 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCC(C)=O 265967163 ZPQNFWRRKDNAON-UHFFFAOYSA-N 271.317 -0.192 50 20 CBGD COc1cc(C#N)ccc1OCC(=O)NN(C)C(N)=O 271365539 QAXCGNSZDRWQON-UHFFFAOYSA-N 278.268 -0.013 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc2nc[nH]c2n1 273358562 CEAWZFRXDIFWPS-UHFFFAOYSA-N 262.273 -0.720 50 20 CBGD CO[C@@H](CN)CC(=O)NNc1nc(C)cc(C)n1 278228855 RIYXCACVJAUSNQ-SECBINFHSA-N 253.306 -0.100 50 20 CBGD O=C(COc1ccc(B(O)O)cc1)NCC1CCC1 584910005 VJWZIJCHKKGPLB-UHFFFAOYSA-N 263.102 -0.339 50 20 CBGD CN1CC[C@H](C(=O)Nc2cccc(B(O)O)c2)CC1=O 584911130 XYPAEWFAELXPJK-VIFPVBQESA-N 276.101 -0.827 50 20 CBGD C[C@@H](C[C@@H](C)O)NC(=O)c1cc(B(O)O)ccc1F 584972636 CJIPSXAJFOBSLC-JGVFFNPUSA-N 269.081 -0.605 50 20 CBGD O=C(NC(CF)CF)c1ccc(B(O)O)c(F)c1 584995961 SOWDKMJSZROIKP-UHFFFAOYSA-N 261.008 -0.457 50 20 CBGD CC(C)COC[C@H](O)CNCc1ccc(B(O)O)o1 585018587 MGVXIOCBEAUXJT-SNVBAGLBSA-N 271.122 -0.918 50 20 CBGD OCC1(CNCc2ccc(B(O)O)o2)CCCC1 585037297 YEIGJQDUTMXJET-UHFFFAOYSA-N 253.107 -0.398 50 20 CBGD OC[C@@H](NCc1ccc(B(O)O)cc1F)[C@@H]1CCCOC1 585046959 XVXVILRQKSWMON-BXUZGUMPSA-N 297.135 -0.617 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)C1=COCCO1 728852302 ZKFGSWGSDHHGSY-UHFFFAOYSA-N 263.253 -0.340 50 20 CBGD NC(=O)c1csc(C(=O)NNC(=O)c2cnn[nH]2)c1 729457184 BKQLPTDXYJHJCK-UHFFFAOYSA-N 280.269 -0.960 50 20 CBGD CN1CCN(CC(=O)NNc2ccnc(N(C)C)n2)CC1 740114169 RJBPGHSEXBVWEE-UHFFFAOYSA-N 293.375 -0.767 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)NCC1CC1 751536756 VRHYFZOKQLSGAQ-QMMMGPOBSA-N 254.290 -0.652 50 20 CBGD C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)Cc1cc[nH]n1 755278794 DTAXUMFWLACWMZ-NXEZZACHSA-N 279.344 -0.028 50 20 CBGD Cc1ncc(NC(=O)NNC(=O)c2cnn(C)c2)cn1 756370732 JQBWOZFKUBLURN-UHFFFAOYSA-N 275.272 -0.015 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2csnn2)n[nH]1 763117917 ANJXQCRTYKBVGK-UHFFFAOYSA-N 252.259 -0.356 50 20 CBGD O=C(CN1CCS[C@H]2COCC[C@@H]21)NNC(=O)C1CC1 767914014 WZYJMHOAAKEGLJ-QWRGUYRKSA-N 299.396 -0.250 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)c2ccccc2O)nn1 768477077 UIMPKICXIFNCKL-UHFFFAOYSA-N 289.251 -0.168 50 20 CBGD O=C(NNC(=O)C1(O)CCOCC1)c1ccccn1 771838444 JODXIROZFHSFSF-UHFFFAOYSA-N 265.269 -0.616 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCc1nc(C)no1 771968226 LVFXBLGZQZBCRB-ZETCQYMHSA-N 298.299 -0.200 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NCCCSC#N 773586663 XBVBZAUOZWCTQC-SSDOTTSWSA-N 265.360 -0.355 50 20 CBGD CSC1(C(=O)NNC(=O)C(=O)NC2CC2)CC1 789732295 KXCLFPXPNHNMHB-UHFFFAOYSA-N 257.315 -0.692 50 20 CBGD CCN1CCN(CC(=O)NNC(=O)C2CC2)[C@H](C)C1 796320720 CGBXHRCUNLHFTF-SNVBAGLBSA-N 268.361 -0.430 50 20 CBGD O=C(NN=C1CC(=O)N2CCCC[C@@H]12)C(=O)N1CCCC1 799479566 WUKUWEZFVOENJJ-NSHDSACASA-N 292.339 -0.134 50 20 CBGD Cn1cnc(C(=O)NNC(=O)Cc2ccc(F)cc2)n1 809981240 DOWHISQWRQBWSD-UHFFFAOYSA-N 277.259 -0.042 50 20 CBGD CN(C)CC(=O)NNC(=O)C1(c2ccccc2)CC(=O)C1 810333762 JUWICRMKQVTQTN-UHFFFAOYSA-N 289.335 -0.004 50 20 CBGD C[C@H](C(=O)NNc1ncncc1F)N1CCN(C)CC1 817081582 ABODDFJSNVLKDC-SECBINFHSA-N 282.323 -0.305 50 20 CBGD CCNC(=O)NNS(=O)(=O)C[C@@H](OC)C(C)C 842583250 MQBFWURWNRWVIC-MRVPVSSYSA-N 267.351 -0.189 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CCc2nnnn2CC1 845077222 VZHWKKQCZKZLTB-QMMMGPOBSA-N 295.372 -0.693 50 20 CBGD CN(C)c1nc(N)nc(C(=O)NNC(=O)C2CCCC2)n1 846631389 MBZAHOVGRPFRHE-UHFFFAOYSA-N 293.331 -0.529 50 20 CBGD C[C@@H]1CNCCN1S(=O)(=O)CBr 850581597 GDELJZDNNSEWFM-ZCFIWIBFSA-N 257.153 -0.038 50 20 CBGD C[C@H]1CCCN(C(=O)C(=O)NNC(=O)c2cc[nH]n2)C1 855356111 HCBYOJYVAHVFHB-QMMMGPOBSA-N 279.300 -0.571 50 20 CBGD COC(=O)c1cnn(CC(=O)NNC(=O)C(C)(C)C)c1 858522793 GYBWOVRUWBADTL-UHFFFAOYSA-N 282.300 -0.137 50 20 CBGD Cc1ncc(/C=C\C(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 862454699 IVQTXNCQILRSAG-FIFYQCSRSA-N 294.336 -0.109 50 20 CBGD O=Cc1ccc(OCC(=O)N2CC[C@@H](B(O)O)C2)cc1 874969809 LYPXCTCOKWSVNT-LLVKDONJSA-N 277.085 -0.047 50 20 CBGD CO[C@H]1CN([C@H](C)C(=O)NNC(=O)CC(C)C)CCO1 878969688 ACPLWEINIZXBBJ-ZYHUDNBSSA-N 287.360 -0.127 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 910141322 YBCVFRMLMGMIBU-ZJUUUORDSA-N 293.389 -0.998 50 20 CBGD COC[C@@H](C)[C@H](C)C(=O)NNC(=O)CN1CCCC1=O 913732562 ATGHHRYABFGOIP-ZJUUUORDSA-N 285.344 -0.325 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)c1cccnc1 920399576 WJJHYTVMXRHEOB-MRVPVSSYSA-N 264.285 -0.243 50 20 CBGD CCN(CC)C(=O)CNC(=O)NNC(=O)C(C)C 920764294 UEQSSSMQXFZIJJ-UHFFFAOYSA-N 258.322 -0.159 50 20 CBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)N1CCOCC1 931113532 FLVDOBLFACBFFR-RKDXNWHRSA-N 285.300 -0.741 50 20 CBGD CC1(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1116271623 WUBZZZGMJLPCBN-ZETCQYMHSA-N 275.330 -0.696 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccoc1CC(N)=O 1118712660 DVICJWXRQLIVCC-UHFFFAOYSA-N 270.314 -0.612 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CO[C@@H]1CCOC1 1253646855 NMYUMDYZQHJHOM-SECBINFHSA-N 267.285 -0.408 50 20 CBGD C[C@@]1(CNC(=O)C(=O)NC2CNC2)C[C@H]1Br 1261771636 CRGAAQQISIWPME-XCBNKYQSSA-N 290.161 -0.636 50 20 CBGD O=C(NN=Cc1ncc[nH]1)[C@H]1CCS(=O)(=O)C1 1318402302 CIXBAPYKRMDZHH-ZETCQYMHSA-N 256.287 -0.706 50 20 CBGD CNC(=O)NNC(=O)c1cc(OC(F)F)n(C)n1 1320400388 AVMROSWGFPHTNJ-UHFFFAOYSA-N 263.204 -0.405 50 20 CBGD CC(=O)NNC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 1324630009 NHDDSIFGAVYDRQ-UHFFFAOYSA-N 275.268 -0.648 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)SCCS(C)(=O)=O 1328627407 SNLPPIKAVUPVSP-ZETCQYMHSA-N 282.387 -0.290 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CSc1cccc[n+]1[O-] 1329861157 FHAKGQJOOCRHDO-VIFPVBQESA-N 271.342 -0.244 50 20 CBGD Cc1cc(F)ccc1NNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 1331139247 JYWYCAWFOHRDIK-JHJVBQTASA-N 296.298 -0.010 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCCC[C@H]2CCOC2)N1 1331314455 IQWVOBOHPYLZFP-VHSXEESVSA-N 298.343 -0.588 50 20 CBGD O=C(CN1CCCC1=O)NN=Cc1csnn1 1337446605 OSIDNRIFRQMUKL-UHFFFAOYSA-N 253.287 -0.389 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CCc2nnn(C)c2C1 1343688711 GVLUETRYOUNLFC-ZETCQYMHSA-N 266.305 -0.730 50 20 CBGD CS(=O)(=O)c1cccc(NNC(=O)[C@@H]2CCNC2=O)c1 1350979613 HYNYFFSJAUYQJT-SNVBAGLBSA-N 297.336 -0.331 50 20 CBGD COC(=O)CC[C@@H](N)C(=O)NNc1cc(C)nc(C)n1 1578809854 PEZPINCYWVMDBM-SECBINFHSA-N 281.316 -0.183 50 20 CBGD C[C@H](NC(=S)NNC(=O)COCC(=O)O)C1CC1 1593190853 XIPUBHSMVWPPBU-LURJTMIESA-N 275.330 -0.619 50 20 CBGD CCNC(=O)NNC(=O)c1ccoc1CC(=O)O 1596470974 QYAWTRLLMOMOLN-UHFFFAOYSA-N 255.230 -0.129 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccc(C(=O)O)n1C 1599247713 LOZAECOPVSSUJS-UHFFFAOYSA-N 299.283 -0.853 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1cc(C(=O)O)n(C)c1 1605551200 JZTUOEPDUJZDEG-UHFFFAOYSA-N 298.255 -0.561 50 20 CBGD O=C(O)[C@H](C(=O)NNC(=O)[C@H]1CCCO1)C1CC1 1605898608 XKZDHUQJDHWLKB-SFYZADRCSA-N 256.258 -0.576 50 20 CBGD COC[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)O 1606804497 AKKGJLZZJFILMA-RZCNENHTSA-N 278.268 -0.457 50 20 CBGD O=C(NNC(=O)c1ccc[nH]1)c1ccnc(-c2nn[nH]n2)c1 1606853750 CLRGOQFDCFMMFX-UHFFFAOYSA-N 298.266 -0.335 50 20 CBGD C[C@H](C(=O)O)C(=O)NNc1nccc(N2CCOCC2)n1 1609701242 WAHPFXLPFOFXFL-QMMMGPOBSA-N 295.299 -0.523 50 20 CBGD CCCC(=O)N1CCC[C@H](C(=O)NNC(=O)CN(C)C)C1 170797003 JPESVJCGEWDFPV-NSHDSACASA-N 298.387 -0.266 50 20 CBGD O=C(Cc1ccccc1)NNC(=O)C(=O)NC1CC1 171076880 DFGPUXTWOMIUOI-UHFFFAOYSA-N 261.281 -0.345 50 20 CBGD COCCn1ccc(C(=O)NNC(=O)c2cccnc2)n1 188888287 ZKWMITMZKPJBQI-UHFFFAOYSA-N 289.295 -0.001 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H]1CCCC(=O)N1 271400660 KFQULOABTWHROL-ZETCQYMHSA-N 290.414 -0.487 50 20 CBGD CC(C)n1cc(C(=O)NNC(=O)C(C)(C)O)cn1 277876768 DLAHPRRLVIYTJY-UHFFFAOYSA-N 254.290 -0.004 50 20 CBGD CCc1nnc(C)cc1C(=O)NNC(=O)C(C)(C)O 277903248 HAUPACKFFJYRBA-UHFFFAOYSA-N 266.301 -0.121 50 20 CBGD O=C(O)[C@H]1COCCN1S(=O)(=O)CBr 306181425 URZURZLATJAIAM-RXMQYKEDSA-N 288.119 -0.546 50 20 CBGD COC(=O)NNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 490539359 LAIIIBWNPODQMZ-UHFFFAOYSA-N 296.239 -0.288 50 20 CBGD C[C@@H](CC#N)NC(=O)c1ccc(B(O)O)c(F)c1 584944388 LFEOXSYRWRZNGH-ZETCQYMHSA-N 250.038 -0.463 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@@H]1CO 584967424 VKSYSXZACBTSLI-SECBINFHSA-N 267.065 -0.898 50 20 CBGD CC[C@@](C)(CO)NC(=O)c1cc(B(O)O)ccc1F 584967571 MCWOEEOPRLIWJL-LBPRGKRZSA-N 269.081 -0.604 50 20 CBGD CN(C)CCCN(C)C(=O)c1cc(B(O)O)ccc1F 584971275 NYUOZOCCEHWDAD-UHFFFAOYSA-N 282.124 -0.471 50 20 CBGD C[C@H](NC(=O)c1cc(B(O)O)ccc1F)c1ncn(C)n1 584977887 SZKUOPVLJKWVIQ-ZETCQYMHSA-N 292.079 -0.875 50 20 CBGD C=CCN(CCOC)C(=O)c1cccc(B(O)O)c1 584980761 JPLUNGOAOASKLG-UHFFFAOYSA-N 263.102 -0.359 50 20 CBGD CC(C)C[C@H](CO)CNC(=O)c1cc(B(O)O)ccc1F 584984633 ABOXZAVIHYQIQP-JTQLQIEISA-N 297.135 -0.110 50 20 CBGD COC[C@@H](C)[C@@H](C)NC(=O)c1cccc(B(O)O)c1 584992645 QOKOYGQRWMBIRE-NXEZZACHSA-N 265.118 -0.233 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H]1CF 584995472 UVZFXZVMXDHSME-LLVKDONJSA-N 251.066 -0.060 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@H]2CC[C@H]2C1 585007461 NEPSYXRWVXVTSK-DTORHVGOSA-N 263.077 -0.013 50 20 CBGD C[C@@H](CN1CCOC[C@H]1C)NCc1ccccc1B(O)O 585021413 KEIHWVMFONLRPK-QWHCGFSZSA-N 292.188 -0.435 50 20 CBGD C[C@H](O)C[C@H](C)CNCc1ccc(B(O)O)cc1 585025262 PSFPZSOFOWYTNM-QWRGUYRKSA-N 251.135 -0.137 50 20 CBGD CCN(C)C(=O)[C@H](C)NCc1ccc(B(O)O)cc1F 585037879 MPAOJQOYKJLGDM-VIFPVBQESA-N 282.124 -0.538 50 20 CBGD COCCn1cc(CNCc2ccc(B(O)O)cc2)cn1 585041436 CRDHAXFINOOBGX-UHFFFAOYSA-N 289.144 -0.501 50 20 CBGD OCCCN1CCC[C@H](NCc2ccc(B(O)O)cc2)C1 585043438 MPRGKDGGXGCZNI-HNNXBMFYSA-N 292.188 -0.697 50 20 CBGD CO[C@H]1COCC[C@@H]1CNCc1cccc(B(O)O)c1 585044107 YWSJZQXLCLJKJG-OCCSQVGLSA-N 279.145 -0.493 50 20 CBGD CCCC(=O)N1CCCC[C@@H]1C(=O)NCB(O)O 585059282 HOHBXRZNZFDTAE-SECBINFHSA-N 256.111 -0.704 50 20 CBGD C[C@H]1CN(c2ccnc(C(=O)NCB(O)O)c2)C[C@@H](C)O1 585062878 PAEULPPFGWJHTR-AOOOYVTPSA-N 293.132 -0.563 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)N1 729843035 VMFMQIAJUJMNGH-MWLCHTKSSA-N 289.291 -0.584 50 20 CBGD COCCC(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 732261093 JYDYSLUYSMSEPY-QWRGUYRKSA-N 287.360 -0.330 50 20 CBGD C[C@H]1COCCCN1CC(=O)NNC(=O)C1CC1 749509929 HWTFNIYPDJZBKC-VIFPVBQESA-N 255.318 -0.345 50 20 CBGD COC[C@@H](C)CC(=O)NNC(=O)C(=O)N1CCCC1 755269002 ULQQOSKQGAGKNO-VIFPVBQESA-N 271.317 -0.571 50 20 CBGD COCCOc1ccc(NC(=O)NNC(=O)CO)cc1 755694240 XNNMSRVQCOHILK-UHFFFAOYSA-N 283.284 -0.143 50 20 CBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)C1CC1 761123440 MZSYWOVHRYINIT-UHFFFAOYSA-N 277.346 -0.737 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(CC)COC1 772187578 VCSHWRKWHGXZOH-QMMMGPOBSA-N 272.301 -0.098 50 20 CBGD O=C(CO)NNC(=O)c1cc(Cl)c2c(c1)OCO2 777782808 PPSWQKVXWLEWKK-UHFFFAOYSA-N 272.644 -0.178 50 20 CBGD CCCCNC(=O)NNC(=O)c1cccc(C(N)=O)n1 781955577 RBQLFAJTGSNJSQ-UHFFFAOYSA-N 279.300 -0.075 50 20 CBGD CS(=O)(=O)N1CCC(=NNC(=O)C(F)F)CC1 782235778 UYIDNRMXLJZSRL-UHFFFAOYSA-N 269.273 -0.221 50 20 CBGD Cn1c(=O)ccn(CC(=O)NNc2cccc(F)n2)c1=O 804770973 BJDKNUWUUKPOHL-UHFFFAOYSA-N 293.258 -0.776 50 20 CBGD CC[C@H](C)CCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 806787777 MVGBXYBACJVVSW-DTWKUNHWSA-N 293.389 -0.102 50 20 CBGD O=C(O)C1CC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 814781200 BAHUDTIZIDRWMQ-ULUSZKPHSA-N 274.298 -0.612 50 20 CBGD COc1cnc(C(=O)NNC(=O)N2CCOCC2)nc1 815147352 UMNFSHWOLXJAAE-UHFFFAOYSA-N 281.272 -0.828 50 20 CBGD CCOCC(=O)NN=Cc1ccc(-c2nn[nH]n2)o1 821369360 ZNEYDRSJQRYZKL-UHFFFAOYSA-N 264.245 -0.054 50 20 CBGD CCN(CCO)NC(=O)c1cn2nccc2nc1C 823889053 GUPPFLTUUCXTEI-UHFFFAOYSA-N 263.301 -0.003 50 20 CBGD CCOCCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 825681059 FQFITGAIEUEHFC-BDAKNGLRSA-N 259.306 -0.222 50 20 CBGD CCC[C@@H](C(=O)NNC(=O)C1CCC1)S(N)(=O)=O 827210204 LLABTAFBCVGMNW-QMMMGPOBSA-N 277.346 -0.609 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1ccn(C)n1 843661508 MAYYRVKNDVIZQB-SCZZXKLOSA-N 266.301 -0.465 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843977702 HGFNCYHGMSKMQN-BIIVOSGPSA-N 273.289 -0.697 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(C)C(C)(C)C1 846889891 QJTTWBLIQUPYDE-SNVBAGLBSA-N 270.377 -0.042 50 20 CBGD COCCn1cc(NC(=O)NNC(=O)c2cc[nH]n2)cn1 853822942 VERAOFFIVSWOMP-UHFFFAOYSA-N 293.287 -0.281 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCC12OCCO2)c1cc[nH]n1 855356768 XTSYFTRJZSRQQF-QMMMGPOBSA-N 280.284 -0.286 50 20 CBGD O=C(CC1CCOCC1)NNC(=O)c1cc[nH]n1 855358316 GCUZFMYRIXKNEW-UHFFFAOYSA-N 252.274 -0.013 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCc2nn[nH]c21)c1cn[nH]c1 862470084 ZMSLUADBYGSSRJ-SSDOTTSWSA-N 275.272 -0.591 50 20 CBGD Cc1nc(C=NNC(=O)CS(C)(=O)=O)cs1 863187769 FBNBHTDAZFVOPU-UHFFFAOYSA-N 261.328 -0.054 50 20 CBGD COC(=O)N1CC(NC(=O)NN=c2cc[nH]c(C)c2)C1 875398272 GVTWZXDVHUSCDE-UHFFFAOYSA-N 279.300 -0.111 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCN(CC3CC3)C2)cc1 877024515 GHZWBNQSFWPFBC-OAHLLOKOSA-N 274.173 -0.060 50 20 CBGD C=CCC1(O)CCN(CC(=O)NNC(=O)C2CC2)CC1 886773782 ATMNKUIFZPCCJK-UHFFFAOYSA-N 281.356 -0.053 50 20 CBGD C#CC1(O)CN(C(=O)/C(C#N)=C\c2cnn(C)c2)C1 890526368 VNCYOTYYQGLZBE-WCIBSUBMSA-N 256.265 -0.466 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H](C)CN1CCOCC1 910156302 SGUIBHYFJVCGIV-MNOVXSKESA-N 259.350 -0.702 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCc2n[nH]cc2C1 910159649 ADJGWWLQHXXSQE-BDAKNGLRSA-N 252.318 -0.142 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCc2n[nH]cc2C1 910159650 ADJGWWLQHXXSQE-DTWKUNHWSA-N 252.318 -0.142 50 20 CBGD COC[C@H](C)CC(=O)NNC(=O)CN1CCCC1=O 913731586 NSTVGSXYOCTOSB-SECBINFHSA-N 271.317 -0.571 50 20 CBGD O=C(NCCOC1CCCC1)NNC(=O)C(=O)NC1CC1 918085356 ZVLGTDPTTIATCB-UHFFFAOYSA-N 298.343 -0.445 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@H](C2OCCO2)C1 931999942 MPGKIRJTDYRKSH-JTQLQIEISA-N 285.344 -0.515 50 20 CBGD CCCCS(=O)(=O)CC(=O)NN(C)CCOC 935911254 FMLDLRPQWSHHOB-UHFFFAOYSA-N 266.363 -0.189 50 20 CBGD CS(=O)(=O)C1(CNC(=O)NNc2cccnn2)CC1 1116865438 FRPAEKHJYOKGJX-UHFFFAOYSA-N 285.329 -0.320 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1cncn1C 1119276546 XCVHGCMFFPKNCP-SECBINFHSA-N 299.331 -0.698 50 20 CBGD Cn1cc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)cn1 1317730492 UCDLOLCRAINRNK-VIFPVBQESA-N 270.314 -0.695 50 20 CBGD Cc1nc(S(=O)(=O)NNC(=O)c2ccccn2)cn1C 1318156917 CVPODDRNGDNCCA-UHFFFAOYSA-N 295.324 -0.253 50 20 CBGD COCC(=O)NCCC(=O)NNC(=O)CC(C)(C)C 1318254162 XHBZGFKYBWWLGF-UHFFFAOYSA-N 273.333 -0.277 50 20 CBGD O=C(NN=Cc1ncc[nH]1)[C@@H]1CCS(=O)(=O)C1 1318402301 CIXBAPYKRMDZHH-SSDOTTSWSA-N 256.287 -0.706 50 20 CBGD CCNC(=O)NNC(=O)c1cccn2c(O)nnc12 1320793929 YXPWTPUWKNMXKN-UHFFFAOYSA-N 264.245 -0.601 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCC(F)(F)F)N1 1321298376 ATXNCMCJQFCWOQ-BYPYZUCNSA-N 268.195 -0.842 50 20 CBGD Cc1nc(O)[nH]c1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1326811492 FBSYOKANTBLUSY-RQJHMYQMSA-N 268.273 -0.390 50 20 CBGD NC(=O)[C@@H](NNC(=O)[C@H]1CCC(=O)N1)c1ccc(F)cc1 1329207842 SCBXMILGBZZPOL-KOLCDFICSA-N 294.286 -0.749 50 20 CBGD C[C@H](NC(=S)NNC(=O)c1cnnn1C)C1CC1 1330817038 KWJXOCNTYSZJCO-LURJTMIESA-N 268.346 -0.278 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@H]1CCCC(=O)N1 1339887104 YIDFIRJICZYZIQ-SNVBAGLBSA-N 276.296 -0.560 50 20 CBGD Cn1cc(C(=O)NNc2nc3ccccn3n2)nn1 1347247103 MCTCILXRGMEUDR-UHFFFAOYSA-N 258.245 -0.385 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H](C)n1ccnc1 1352009521 ITMZRQLGYUXTEW-VIFPVBQESA-N 270.289 -0.746 50 20 CBGD C=CCCC[C@@H](N)C(=O)NNc1nccn(C)c1=O 1574908235 JCJVGOVWEPKNJO-SECBINFHSA-N 265.317 -0.093 50 20 CBGD C[C@@H](N)C1(C(=O)NNC(=O)NCC2CC2)CCOCC1 1576109523 TXMPZIIWLKLCBB-SECBINFHSA-N 284.360 -0.129 50 20 CBGD C[C@H]1[C@@H](NC(=O)NNC(=O)C2CCNCC2)CCN1C 1576578953 KFEMAJGVJLTDFP-ONGXEEELSA-N 283.376 -0.591 50 20 CBGD O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21)C1CCNCC1 1580732385 BDKIXNYUMOPHPZ-JMJZKYOTSA-N 265.313 -0.642 50 20 CBGD Cc1ncc(CO)c(C=NNC(=O)C(=O)O)c1O 1600738305 YMOFLTKCAWHCTG-UHFFFAOYSA-N 253.214 -0.877 50 20 CBGD O=C(O)c1coc(C(=O)NNC(=O)N2CCOCC2)c1 1602550577 KVJNFQANUJHYPH-UHFFFAOYSA-N 283.240 -0.336 50 20 CBGD C[C@@]1(CCNC(=O)NNC(=O)C(=O)O)CC1(F)F 1604572822 MVLCDCJIAHHEMR-MRVPVSSYSA-N 265.216 -0.163 50 20 CBGD CNC(=O)NNC(=O)c1ccsc1CC(=O)O 1606280996 NYZCBJQDINJMCV-UHFFFAOYSA-N 257.271 -0.051 50 20 CBGD O=C(CN1C(=O)CCC1=O)NNc1ccc(C(=O)O)cn1 1608326233 JFCCNUVPMFHYKX-UHFFFAOYSA-N 292.251 -0.628 50 20 CBGD COC(=O)NNS(=O)(=O)CC(C)(C)C(=O)O 1610190301 LOXWRUOLMJGPTQ-UHFFFAOYSA-N 254.264 -0.712 50 20 CBGD NC(=O)C(=O)NN=Cc1ccc(C(=O)O)c(F)c1 1776016147 ZTJZMKPYPCLBMG-UHFFFAOYSA-N 253.189 -0.541 50 20 CBGD O=C(CN1C[C@@H]2CNC[C@@H]2C1)NNC(=O)c1ccccc1 107855157 CKGKAUASXOLKDP-BETUJISGSA-N 288.351 -0.401 50 20 CBGD O=C(Cn1ccccc1=O)NNc1ncc(F)cn1 122425642 DWHFZOAYBFIYOT-UHFFFAOYSA-N 263.232 -0.079 50 20 CBGD Cc1ccoc1C(=O)NNC(=O)C(=O)N1CCCC1 132246366 WWHAULOIRFWKCC-UHFFFAOYSA-N 265.269 -0.029 50 20 CBGD CN(NC(=O)c1cnn(-c2ccccc2)n1)C(N)=O 181086466 HWAFDISLOMGTIP-UHFFFAOYSA-N 260.257 -0.077 50 20 CBGD CCN(C)C(=O)CNC(=O)NNc1ccc(C)nn1 186225597 ZZEWPXXLPOUMHN-UHFFFAOYSA-N 266.305 -0.111 50 20 CBGD CC(C)(C(=O)NNC(=O)c1ccccn1)S(C)(=O)=O 264816712 CQLSFDVIFWECJH-UHFFFAOYSA-N 285.325 -0.334 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1COc2ccccc2O1 273971662 JRBSOINLJKUEMK-LLVKDONJSA-N 279.296 -0.465 50 20 CBGD COc1nnccc1NC(=O)NNC(=O)CN(C)C 288939819 PODWKBMHABKIAN-UHFFFAOYSA-N 268.277 -0.801 50 20 CBGD Cn1cccc1C(=O)NNC(=O)C[C@H]1CCCC(=O)N1 289667685 OWEWFBKDXUUTRE-SECBINFHSA-N 278.312 -0.155 50 20 CBGD CN1C[C@H](C(=O)NNC(=O)c2cccn2C)CC1=O 298279823 IRMQJJLVMPPSMN-MRVPVSSYSA-N 264.285 -0.736 50 20 CBGD CC(C)NC(=O)CCCC(=O)Nc1cccc(B(O)O)c1 584909776 IKNAYOCPOCIMRT-UHFFFAOYSA-N 292.144 0.000 50 20 CBGD CC(C)N(C)CCCNC(=O)c1cccc(B(O)O)c1 584929007 NBVMOMKRROTXAH-UHFFFAOYSA-N 278.161 -0.174 50 20 CBGD CC[C@H](NC(=O)c1ccc(B(O)O)cc1)c1n[nH]c(C)n1 584953865 YMFNCTHMRWSGEQ-NSHDSACASA-N 288.116 -0.326 50 20 CBGD O=C(NC[C@H](O)C1CCCC1)c1cccc(B(O)O)c1 584959494 HPGMUVYEHQTLOO-ZDUSSCGKSA-N 277.129 -0.353 50 20 CBGD C[C@H]1COCCN(C(=O)c2cc(B(O)O)ccc2F)C1 584966650 HEXZAARDXXYORL-SECBINFHSA-N 281.092 -0.386 50 20 CBGD C[C@H]1[C@H](CO)CCCN1C(=O)c1cccc(B(O)O)c1 584999966 ICQNPWYWJLRTHV-JQWIXIFHSA-N 277.129 -0.401 50 20 CBGD C[C@H]1CCCCN1CCNCc1ccc(B(O)O)o1 585015999 QCGQWZJQSNCBPS-NSHDSACASA-N 266.150 -0.077 50 20 CBGD Cc1cn2c(n1)CC[C@@H](NCc1ccc(B(O)O)o1)C2 585020398 VKJMYEKUARJLRZ-SNVBAGLBSA-N 275.117 -0.431 50 20 CBGD CCN(C)C(=O)CNCc1ccc(B(O)O)cc1F 585036825 PWUPCFDDQHOJCS-UHFFFAOYSA-N 268.097 -0.927 50 20 CBGD C[C@@H]1Oc2ccccc2N(CCC(=O)NCB(O)O)C1=O 585060342 CYDCHSOWDJCVSB-VIFPVBQESA-N 292.100 -0.681 50 20 CBGD NC(=O)C[C@@H]1CCN(S(=O)(=O)CBr)C1 690802606 CULPQRHBFMVULA-LURJTMIESA-N 285.163 -0.134 50 20 CBGD C[C@H]1C[C@@H](N)CN1CC(=O)NNC(=O)c1ccccc1 702659776 MMNIDCVAQXQWEB-CMPLNLGQSA-N 276.340 -0.131 50 20 CBGD Cn1nccc1S(=O)(=O)NNC(=O)NCC1CC1 727362511 UELOOPZCBUKJFI-UHFFFAOYSA-N 273.318 -0.677 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(CC(N)=O)C(C)C 731848841 OXMQQDBSDMHHEJ-JTQLQIEISA-N 286.376 -0.236 50 20 CBGD COC(=O)c1cc(C=NNC(=O)CN2CCCC2=O)c[nH]1 753162559 OVIJBHSYKRCDDN-UHFFFAOYSA-N 292.295 -0.126 50 20 CBGD CCC[C@](C)(O)C(=O)NNC(=O)Cc1cc[nH]n1 755269547 SLQCDMTUJUZOJB-NSHDSACASA-N 254.290 -0.349 50 20 CBGD CCO[C@@H]1CCCC1=NNC(=O)[C@H](C)NS(C)(=O)=O 766446386 HRGYNKZTUMRJML-WCBMZHEXSA-N 291.373 -0.015 50 20 CBGD CC(C)n1ccc(CC(=O)NNC(=O)C(C)(C)O)n1 768255414 IVRCZJBLJQPFJR-UHFFFAOYSA-N 268.317 -0.075 50 20 CBGD C[C@H](C#N)CNC(=O)NNC(=O)CNC(=O)c1ccco1 781951793 QHCFFICPPFBHKO-MRVPVSSYSA-N 293.283 -0.501 50 20 CBGD Cc1cccc(C(=O)NNC(=O)N=c2nc[nH]n2C)n1 797637558 ZDYZDRCLPKYYER-UHFFFAOYSA-N 275.272 -0.593 50 20 CBGD C[C@@H]1CCNC(=O)[C@@H]1NCC(=O)NNC(=O)C(C)(C)C 799346306 ISKSHWZPAALKHC-PSASIEDQSA-N 284.360 -0.706 50 20 CBGD COc1ccc(NC(=O)NNC(=O)CCNC(N)=O)cc1 802053732 DTDZXFOLTUDMFY-UHFFFAOYSA-N 295.299 -0.094 50 20 CBGD Cn1cncc1C(=O)NNC(=O)Cc1ccncc1 809705810 AACZGYOFNHXZGJ-UHFFFAOYSA-N 259.269 -0.181 50 20 CBGD COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)C(=O)NC1CC1 812452898 DLQZPZZQNPIYBO-HTQZYQBOSA-N 271.317 -0.669 50 20 CBGD CCCNC(=O)NNC(=O)[C@H]1COCCN1CC 822799378 BZFZNDGTMROORS-SECBINFHSA-N 258.322 -0.553 50 20 CBGD CCCN1C[C@H](C(=O)NN(CC)CCO)CC1=O 823893470 KDJMDRDKENIWBT-SNVBAGLBSA-N 257.334 -0.410 50 20 CBGD CCC(=O)N1CC[C@H](C(=O)NN(C)[C@H](C)CO)C1 823946300 GWNLODQZIZRPJP-ZJUUUORDSA-N 257.334 -0.411 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 823946325 HIGIOFRTNWGWMC-BDAKNGLRSA-N 295.405 -0.706 50 20 CBGD O=C(O)NCCCC(=O)NNc1ncnc2[nH]cnc12 832608637 LHHFTCLLQKPWOK-UHFFFAOYSA-N 279.260 -0.156 50 20 CBGD C[C@@H](CN)NC(=O)NNC(=O)COc1ccccc1F 841982480 MJVOYIHMHCURHS-QMMMGPOBSA-N 284.291 -0.118 50 20 CBGD CC(=O)c1cn(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)nn1 843663197 XBJTWSBDEZOQIK-DTWKUNHWSA-N 295.299 -0.947 50 20 CBGD CN1C(=O)CC[C@@H]1CC(=O)NNC(=O)c1ccc[nH]1 854278619 ZTSFBHNTKQYUHX-MRVPVSSYSA-N 264.285 -0.213 50 20 CBGD CNC(=S)N(C)NC(=O)CC1(CS(C)(=O)=O)CC1 854924629 MCBPEZWGYLCCFP-UHFFFAOYSA-N 293.414 -0.331 50 20 CBGD CCC[C@@H](OC)C(=O)NNC(=O)C(=O)Nc1ccccn1 857467464 FCZPWYZYMAKKEJ-SECBINFHSA-N 294.311 -0.017 50 20 CBGD CC(C)CO[C@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862452422 KRUPJEQERYAERX-RKDXNWHRSA-N 271.317 -0.527 50 20 CBGD CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 862459858 AZTUVKLAAAXFSW-BBBLOLIVSA-N 283.328 -0.382 50 20 CBGD CS(=O)(=O)CC(=O)NN=C1CN2CCC1CC2 863187923 VHIAPPHWNQRDIQ-UHFFFAOYSA-N 259.331 -0.771 50 20 CBGD COCCOCC(=O)NNC(=O)C1(c2ccccn2)CC1 869900443 CPDTUTXYKRWGTC-UHFFFAOYSA-N 293.323 -0.076 50 20 CBGD COCCOCC(=O)NNC(=O)Cc1ccc(C=O)cc1 869901078 MZANGFITLICKIQ-UHFFFAOYSA-N 294.307 -0.148 50 20 CBGD COCCOCC(=O)NNC(=O)C1[C@H]2CCC[C@H]12 869910592 VIKYOYPYEGMZEX-IUCAKERBSA-N 256.302 -0.157 50 20 CBGD CO[C@]1(C(=O)NNC(=O)C(=O)NC(C)C)CCSC1 900007663 PLJXBGAQHYUANP-LLVKDONJSA-N 289.357 -0.820 50 20 CBGD CN1C(=O)CCC[C@@H]1C(=O)NNC(=O)c1cccn1C 905346618 VRAPHXKEPBJWID-SNVBAGLBSA-N 278.312 -0.203 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21 906417530 LWGSSTUEMAQEHP-SZEHBUNVSA-N 251.286 -0.048 50 20 CBGD CN1C(=O)CCC[C@H]1C(=O)NNC(=O)c1cnn(C)c1 906729697 BQHLVZGYCSVGTH-VIFPVBQESA-N 279.300 -0.808 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCCCN(C)C1=O 910139977 WDIZYTMHDMFBPZ-UWVGGRQHSA-N 257.334 -0.411 50 20 CBGD C[C@@H](O)CN(C)NC(=O)C(=O)N1CCC[C@@H](C)C1 910161084 RRGPKRVRLSEUMA-NXEZZACHSA-N 257.334 -0.411 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc(O)c(F)c1 913732335 RCLWXMUVEISJOU-UHFFFAOYSA-N 295.270 -0.085 50 20 CBGD CC(C)C(=O)NCCNC(=O)NNC(=O)c1ccc[nH]1 915906977 VZIGHAMHRQRQBG-UHFFFAOYSA-N 281.316 -0.269 50 20 CBGD O=C(NC[C@@H]1COCO1)NNC(=O)[C@H]1CCCCO1 923841884 AKFUBFRBXUQKPY-RKDXNWHRSA-N 273.289 -0.741 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)c2cccnc2)nn1 1116302376 VIYUYXFMEDWMIH-UHFFFAOYSA-N 274.240 -0.478 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cnn(CC2CC2)c1 1116599718 FBWIGVCWHOIBRJ-UHFFFAOYSA-N 295.299 -0.975 50 20 CBGD Cc1ccc(NC(=O)NNC(=O)CCO)cc1C(N)=O 1116616309 FNLHBSCYMAMVGK-UHFFFAOYSA-N 280.284 -0.371 50 20 CBGD Cc1onc(CC(=O)NNC(=O)Cc2cc[nH]n2)c1C#N 1320395243 PCFUVRLJGGJHOR-UHFFFAOYSA-N 288.267 -0.490 50 20 CBGD O=C(NNc1ncncc1F)[C@H]1CCS(=O)(=O)C1 1325043530 YGPMPSYOPUOGCP-LURJTMIESA-N 274.277 -0.507 50 20 CBGD O=C(NNc1cccnn1)c1ccc2nnc(O)n2c1 1325254412 IXMWGFCYCLUTCV-UHFFFAOYSA-N 271.240 -0.018 50 20 CBGD Cn1nc(C(=O)NNC(=O)Cc2cccnc2)ccc1=O 1326380502 OFWFPSCGGJKVBY-UHFFFAOYSA-N 287.279 -0.821 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)N2CCS(=O)(=O)CC2)cn1 1326413920 UFTWXAMUXJLXMY-IZZDOVSWSA-N 294.336 -0.416 50 20 CBGD Cn1ccnc1[C@](O)(CC(=O)NN)C(F)(F)F 1329237193 SWHXEHHCTFCJNW-SSDOTTSWSA-N 252.196 -0.450 50 20 CBGD CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)Cc1cc[nH]n1 1336343263 ZWRFHPNPSURTIC-UWVGGRQHSA-N 266.301 -0.085 50 20 CBGD O=C(CN1CCC(CO)CC1)NNc1ncc(F)cn1 1337152704 XHNSUFPEFUGSPS-UHFFFAOYSA-N 283.307 -0.237 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cnn2c1NCCC2 1528492589 INDOBUUGOSWAAZ-QMMMGPOBSA-N 253.306 -0.344 50 20 CBGD CC[C@@H](C(=O)NNC(=O)[C@@H](N)CO)c1ccccc1 1573659331 CKSJMXWTGBDMLQ-MNOVXSKESA-N 265.313 -0.353 50 20 CBGD CO[C@H]1CN[C@H](C(=O)NNC(=O)c2ccc(C)cc2O)C1 1574006655 PJNRIWJJYGXZGR-KOLCDFICSA-N 293.323 -0.161 50 20 CBGD O=C(O)c1c(F)cccc1NNC(=O)C1(O)COC1 1602230360 GBZBBCCZAGQPIX-UHFFFAOYSA-N 270.216 -0.272 50 20 CBGD COc1cccc(NNC(=O)[C@H]2CC(C(=O)O)=NO2)n1 1604871140 LAOUCGPIKWVJBK-SSDOTTSWSA-N 280.240 -0.237 50 20 CBGD O=C(O)C(=O)NN=Cc1ccc([N+](=O)[O-])c(O)c1 1610714664 XVDISYXIOCQTRA-UHFFFAOYSA-N 253.170 -0.165 50 20 CBGD COCCS(=O)(=O)NNC(=O)c1ccc(C#N)cc1 265618395 JILOHOKGGWIPTQ-UHFFFAOYSA-N 283.309 -0.231 50 20 CBGD CN1C[C@H](NC(=O)NNC(=O)C2CCC2)CC1=O 267481582 HFWTULDHWUUOSD-MRVPVSSYSA-N 254.290 -0.652 50 20 CBGD C[C@@H](O)C(=O)NNC(=O)COc1ccc(F)cc1 281170860 IVCFADXOIQKSSZ-SSDOTTSWSA-N 256.233 -0.267 50 20 CBGD COC(=O)NNC(=O)[C@H](C)NC(=O)c1ccco1 298308988 QDVUOHOPBHKYEH-LURJTMIESA-N 255.230 -0.215 50 20 CBGD CC[C@@](C)(CO)NC(=O)c1ccc(B(O)O)c(F)c1 584968623 ZLWOEHNBGKHXML-LBPRGKRZSA-N 269.081 -0.604 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@H]2[C@@H](O)CC[C@H]2C1 584972836 HVINRNDCDUGUGU-UHTWSYAYSA-N 275.113 -0.791 50 20 CBGD CC1(C)[C@H](O)C[C@H]1NC(=O)c1cc(B(O)O)ccc1F 584973033 CONRQEQBOWDDNR-GHMZBOCLSA-N 281.092 -0.605 50 20 CBGD C[C@H]1[C@@H](CO)CCN1C(=O)c1cccc(B(O)O)c1 584982705 PTAQNFSTYLGMNM-GXSJLCMTSA-N 263.102 -0.791 50 20 CBGD C[C@@]1(O)CCCN(C(=O)c2cccc(B(O)O)c2)CC1 584985870 QWBLNHALBYESFB-CQSZACIVSA-N 277.129 -0.257 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC(F)(F)[C@H](CO)C1 584991418 YKNSJHNMLFVWLZ-JTQLQIEISA-N 299.082 -0.544 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@@H]1CCO 584999561 WOCLMIPVNLNBOY-SNVBAGLBSA-N 281.092 -0.508 50 20 CBGD C[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)c1cnnn1C 585004888 QUKTZPWYSUOJOE-SSDOTTSWSA-N 292.079 -0.875 50 20 CBGD CC(C)C[C@@H](CO)NCc1ccccc1B(O)O 585018063 GLLCOCFRBOAFMH-LBPRGKRZSA-N 251.135 -0.137 50 20 CBGD COCCOC[C@H](C)NCc1ccc(B(O)O)o1 585027378 RPTICKANGLLGKP-VIFPVBQESA-N 257.095 -0.900 50 20 CBGD Cc1c(CNCc2ccc(B(O)O)cc2F)cnn1C 585033918 IHTOIWBLFWCZSE-UHFFFAOYSA-N 277.108 -0.163 50 20 CBGD OC[C@H](C1CC1)[C@@H](NCc1ccc(B(O)O)o1)C1CC1 585043386 LETSEYIZCNXIGG-OCCSQVGLSA-N 279.145 -0.154 50 20 CBGD COCC(COC)NCc1ccccc1B(O)O 585044753 SETJSQOSDHVUHX-UHFFFAOYSA-N 253.107 -0.883 50 20 CBGD Cc1ccc(S(=O)(=O)NCB(O)O)c(Cl)n1 585059344 JZPJOMWBCJDSJQ-UHFFFAOYSA-N 264.499 -0.666 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)c2ccncc2)CC1 729965469 ZNSYGNSIBGVMNJ-UHFFFAOYSA-N 262.269 -0.631 50 20 CBGD CCc1nnsc1C(=O)NNC(=O)Cc1cc[nH]n1 730091672 SSDXICXIARGJOX-UHFFFAOYSA-N 280.313 -0.173 50 20 CBGD Cc1cc(CC(=O)NN=C2CCCS(=O)(=O)C2)n[nH]1 731925973 FFNGXLYVHBJOTI-UHFFFAOYSA-N 284.341 -0.059 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H](C)Cn1cccn1 732201956 RREZGZAZPQCBGO-UWVGGRQHSA-N 267.333 -0.193 50 20 CBGD CCN(CC)S(=O)(=O)CC(=O)NNc1ncccn1 733888235 QYOCGXNNSDRQCC-UHFFFAOYSA-N 287.345 -0.409 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)Cc2ccncc2)C1 747428197 JDSKKRIPHUMRQM-NSHDSACASA-N 278.312 -0.898 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@]1(O)CCSC1 765843676 CTCZPHFALMZMNG-LBPRGKRZSA-N 281.337 -0.361 50 20 CBGD C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)CO 779404929 WLEUYBFARMGKSR-SSDOTTSWSA-N 259.306 -0.933 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](C)O[C@H](COC)C1 784374021 UOCUHEPSVMSHAU-DCAQKATOSA-N 287.360 -0.332 50 20 CBGD C=C(CO)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 791294517 JIGIGAIXVCUKAO-NSHDSACASA-N 278.264 -0.478 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCN(CC(F)(F)F)C1 792478313 HUISIWXHJIMCSU-SSDOTTSWSA-N 297.277 -0.211 50 20 CBGD O=C(NNC(=O)[C@@H]1Cc2ccc(F)cc21)C(=O)NC1CC1 792852663 GCIFWXYXLNYPFV-LLVKDONJSA-N 291.282 -0.109 50 20 CBGD Cc1cccc(C(=O)NNC(=O)c2nnc(O)nc2O)n1 794084281 QKFSTLYPDKHDLI-UHFFFAOYSA-N 290.239 -0.939 50 20 CBGD CO[C@@H](C(=O)NNC(=O)c1cccn1C)c1cnn(C)c1 798361886 PNZINQOGKGRWCO-LLVKDONJSA-N 291.311 -0.093 50 20 CBGD COC(=O)c1cc(C=NNC(=O)CO)n(C)c1C 800815321 TXMIBJLNODCRMW-UHFFFAOYSA-N 253.258 -0.437 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)N=c1cc[nH]cc1 802034401 MDDHEWRWDQMIJD-LBPRGKRZSA-N 287.323 -0.246 50 20 CBGD CN(C)C(=O)CNC(=O)NNc1ncncc1F 814271101 ILHARUNFYBHIRD-UHFFFAOYSA-N 256.241 -0.670 50 20 CBGD CC(=O)NNC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1 825297123 JOJNEUHCTMJALC-UWVGGRQHSA-N 295.320 -0.142 50 20 CBGD O=C(NNC(=O)[C@H]1CN2CCCN1CC2)[C@H]1CCCCO1 833242261 JDJGZCGJBLOLPY-VXGBXAGGSA-N 296.371 -0.907 50 20 CBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)c1ccncc1 847281077 RVALGLUCUOTDBM-IUCAKERBSA-N 262.269 -0.646 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1cccc(O)c1 849208031 UIWQRYAQDRWJNY-UHFFFAOYSA-N 277.280 -0.224 50 20 CBGD O=C(NNC(=O)[C@@H]1CCNC1=O)c1ccc2c(c1)OCO2 854180672 ONHKFFFBQHQXJJ-MRVPVSSYSA-N 291.263 -0.688 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCCOC2CCC2)N1 858257836 VHUHIQMCPVQGPL-SECBINFHSA-N 284.316 -0.836 50 20 CBGD C#CC[C@H](CCOC)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858701929 SNCDSBJYAMOYJK-ZJUUUORDSA-N 296.327 -0.976 50 20 CBGD COC(=O)[C@H]1C[C@H](NCc2ccccc2B(O)O)C1 863892395 VPXQGEOWMZPJBU-XYPYZODXSA-N 263.102 -0.592 50 20 CBGD CC(=O)CN(C(=O)c1cc(B(O)O)ccc1F)C(C)C 868597138 WIBVUOANERTFDX-UHFFFAOYSA-N 281.092 -0.055 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2C[C@@H](O)C2)n1 873803530 JSOLZXZNSKOOAT-AOOOYVTPSA-N 266.301 -0.582 50 20 CBGD CC1(C)CCN(CCNC(=O)c2cccc(B(O)O)c2)C1 890066642 YFPKWSKWOQUCIC-UHFFFAOYSA-N 290.172 -0.172 50 20 CBGD COC[C@H](NC(=O)[C@@]1(C)C[C@@H]1Br)C(N)=O 907152130 YFYTXTRNAYDJSS-WATHFIQWSA-N 279.134 -0.224 50 20 CBGD O=C(CNC(=O)N1CCCC1)NNC(=O)CC(F)(F)F 911419943 MGVSRIBJEIYOED-UHFFFAOYSA-N 296.249 -0.108 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cccs2)N1 913517391 WNPIFSKBBOFVMP-LURJTMIESA-N 253.283 -0.212 50 20 CBGD C#CCN1CCC[C@@H](NC(=O)c2cccc(B(O)O)c2)C1 923594639 MLAXXYJNCYQTGT-CQSZACIVSA-N 286.140 -0.806 50 20 CBGD CN1CC[C@H]1CNC(=O)NNC(=O)[C@H]1CCCCO1 925425679 SWBXFMKSQALAEP-VHSXEESVSA-N 270.333 -0.410 50 20 CBGD CC(=O)NNC(=O)c1ccc2c(c1)C(=O)NCCO2 929182713 PCGMLEQWXHWLPU-UHFFFAOYSA-N 263.253 -0.410 50 20 CBGD C[C@@H](C#N)Oc1ccc(C=NNC(=O)C(N)=O)cc1 1115966636 XKKHAVRWBIOABY-QMMMGPOBSA-N 260.253 -0.087 50 20 CBGD CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cnccn1 1116076482 PXJUOGCRQJMYST-SECBINFHSA-N 282.325 -0.249 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)Cc2cccnc2)C1=O 1116642088 RFFVFSTVBJNLHS-SNVBAGLBSA-N 276.296 -0.750 50 20 CBGD C[C@@H]1C[C@H]1C(=O)NNC(=O)C(=O)Nc1ccccn1 1116723086 YOJUWFOZQDSFTJ-HTQZYQBOSA-N 262.269 -0.177 50 20 CBGD CC[C@@H](CO)C(=O)NNc1nc(O)c2cnn(C)c2n1 1119592215 AIZGNWLHSGJWSC-LURJTMIESA-N 280.288 -0.470 50 20 CBGD CCCc1n[nH]cc1C(=O)NNC(=O)C(=O)N1CCCC1 1255124476 RYRGDFNJZQNUJY-UHFFFAOYSA-N 293.327 -0.254 50 20 CBGD CCC1(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1318935976 RLRREZYIBYHCMO-QMMMGPOBSA-N 289.357 -0.306 50 20 CBGD C=C[C@H](COC)NC(=O)NNC(=O)[C@H](C)OCCOC 1320310541 LUUGJOOJCBLQCC-VHSXEESVSA-N 289.332 -0.431 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cnn(C)c1N 1321048114 DIKOOOOSYGAZKD-UHFFFAOYSA-N 263.261 -0.891 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@]1(F)CCOC1 1326553835 WGDMVBIVZWYSON-RDDDGLTNSA-N 276.264 -0.396 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1cnnc(O)c1 1329478894 AYJZPNCQGAMKSS-QMMMGPOBSA-N 266.257 -0.488 50 20 CBGD O=C(NNC(=O)c1cccnn1)N[C@H]1CCN(C2CC2)C1 1330846937 RIZLZSDCZDJEED-VIFPVBQESA-N 290.327 -0.343 50 20 CBGD Cc1nnc(NNC(=O)[C@@]2(F)CCOC2)nc1O 1346351294 FRSXNECRFKVJKH-SECBINFHSA-N 257.225 -0.543 50 20 CBGD O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)CCl 1347759508 MOCWHEBCOPZXNH-CMDGGOBGSA-N 293.732 -0.372 50 20 CBGD CC1(C)C[C@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 1348110587 LETFHAUHHVHXOJ-BDAKNGLRSA-N 298.343 -0.447 50 20 CBGD CN(Cc1nccs1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1348123146 RRNASOQPQZJCRZ-SSDOTTSWSA-N 297.340 -0.406 50 20 CBGD Cc1nn(CCCl)c(C)c1C(=O)NC[C@@H](O)CN 1354296794 HXLUFDTYQRMITI-VIFPVBQESA-N 274.752 -0.212 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN[C@H]1C[C@@H](N)C1(C)C 1575106902 XXBDTQXAAHYWJG-BDAKNGLRSA-N 270.377 -0.105 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cc(N)n(C)n1 1578072085 UCPNBUDTTVFAAV-UHFFFAOYSA-N 299.331 -0.448 50 20 CBGD CN(CC(=O)NNC(=O)[C@@H]1CCN1)C(=O)OC(C)(C)C 1578436575 BVFBTTOELVRSGV-QMMMGPOBSA-N 286.332 -0.637 50 20 CBGD CN(CCCC(=O)O)C(=O)c1cc(B(O)O)ccc1F 1598474123 VPRVMIHIYMJGMS-UHFFFAOYSA-N 283.064 -0.558 50 20 CBGD O=C(NNC(=O)c1ncccn1)N[C@H]1CC[C@@H](C(=O)O)C1 1601557898 ZMOOLGKDNDMVHG-SFYZADRCSA-N 293.283 -0.326 50 20 CBGD CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)C1CCOCC1 1602970624 YYSXUPCFOSTAEK-SECBINFHSA-N 272.301 -0.083 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)nc1 1604671533 WVVDMUFPNDRWIE-UHFFFAOYSA-N 276.260 -0.822 50 20 CBGD NS(=O)(=O)NC[C@@H]1CCCN(C(=O)CCl)C1 37833281 YNKALUOUAWXPHP-ZETCQYMHSA-N 269.754 -0.743 50 20 CBGD CNC(=O)NNC(=O)CCc1c(C)nn(C)c1C 49023632 WRJHCESHKPTBGR-UHFFFAOYSA-N 253.306 -0.070 50 20 CBGD O=C(Cn1cnnn1)NNC(=O)c1ccc(Cl)cc1F 81030066 QKRLOLRGBMPOKC-UHFFFAOYSA-N 298.665 -0.073 50 20 CBGD Cc1cc(F)cc2c(=O)c(C(=O)NNC(=O)CO)c[nH]c12 182769354 ZGQZDDSYOILIPI-UHFFFAOYSA-N 293.254 -0.271 50 20 CBGD CSC[C@H](C)NC(=O)NNC(=O)C(=O)N1CCCC1 265534694 DEWCREJMVRWXHN-QMMMGPOBSA-N 288.373 -0.309 50 20 CBGD O=C(NNC(=O)[C@H]1CCCN1)[C@@H]1COc2ccccc2O1 272283201 DEWHALAWILIHEH-SKDRFNHKSA-N 291.307 -0.274 50 20 CBGD NC(=O)[C@@H]1CC[C@@H](C(=O)NNC(=O)c2ccccc2F)O1 279748321 XVPHKLXJBPHWGS-UWVGGRQHSA-N 295.270 -0.380 50 20 CBGD COCCCC(=O)NNC(=O)CNC(=O)c1ccco1 299694381 SICQXNNVBGAKDS-UHFFFAOYSA-N 283.284 -0.417 50 20 CBGD C[C@@H](CN)N(C)CC(=O)NNC(=O)c1ccccc1 382978173 OWWUCTQZOLZORE-JTQLQIEISA-N 264.329 -0.273 50 20 CBGD C[C@@H]1CC(=O)N[C@H](C(=O)Nc2cccc(B(O)O)c2)C1 584912267 QPOIDWQRHNCQSY-KWQFWETISA-N 276.101 -0.780 50 20 CBGD COCCCCCNC(=O)c1cccc(B(O)O)c1 584936213 HFIBCFMGBWWZMS-UHFFFAOYSA-N 265.118 -0.087 50 20 CBGD C[C@@H]1OCCN(C(=O)c2cccc(B(O)O)c2)[C@H]1C 584962067 AEHGKUWSZPLDOK-UWVGGRQHSA-N 263.102 -0.384 50 20 CBGD C[C@@H](O)C[C@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F 584966092 VYVOHORPYFQNFT-MWLCHTKSSA-N 295.119 -0.119 50 20 CBGD CC[C@@]1(O)CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584974809 RDUOKFICNJLWBT-CYBMUJFWSA-N 281.092 -0.508 50 20 CBGD CO[C@@H]1CC[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1 584980148 RNTZYADPWPQIGC-VXGBXAGGSA-N 263.102 -0.336 50 20 CBGD CC(C)(C)[C@H](CO)NC(=O)c1ccc(B(O)O)cc1 584981372 FHCIMWNMBWFFJN-NSHDSACASA-N 265.118 -0.497 50 20 CBGD CN(CCCCCO)C(=O)c1ccc(B(O)O)c(F)c1 584982344 HHVJMJZKDCNPJJ-UHFFFAOYSA-N 283.108 -0.260 50 20 CBGD O=C(NC[C@@H](CO)CC1CCC1)c1ccc(B(O)O)cc1 584985177 HUEGYGCTGXJETQ-LBPRGKRZSA-N 291.156 -0.105 50 20 CBGD C[C@H](CCn1cncn1)NCc1ccccc1B(O)O 585018127 QNZOHGVZOGJXFL-LLVKDONJSA-N 274.133 -0.474 50 20 CBGD COCCN1CC[C@H](CNCc2ccccc2B(O)O)C1 585020639 FCLFJPKFQAQIJB-CYBMUJFWSA-N 292.188 -0.576 50 20 CBGD OC[C@@H]1CC[C@H](NCc2ccc(B(O)O)cc2F)C1 585044127 ZBUJRGMWUNINOK-SKDRFNHKSA-N 267.109 -0.244 50 20 CBGD O=C1[C@@H](NCc2ccc(B(O)O)cc2)C[C@H]2CCCCN12 585044723 RBZXAITZEYPPOD-KGLIPLIRSA-N 288.156 -0.391 50 20 CBGD CO[C@@H](C)Cc1nc(-c2cccc(B(O)O)c2)no1 585052335 ZETCCPLQQDHKQQ-QMMMGPOBSA-N 262.074 -0.006 50 20 CBGD CN(C)C(=O)Cc1nc(-c2ccc(B(O)O)cc2)no1 585054190 JNIRTGBZEUARHH-UHFFFAOYSA-N 275.073 -0.953 50 20 CBGD N#Cc1cccc(CS(=O)(=O)N2CC[C@H](B(O)O)C2)c1 585057593 HJBSZPREKVWQFN-LBPRGKRZSA-N 294.141 -0.063 50 20 CBGD C[C@@H](C(=O)NNc1ncccn1)N1C(=O)CCC1=O 727724742 RUZQTJBMKMXDIE-ZETCQYMHSA-N 263.257 -0.543 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H](C)n1cncn1 729921051 UAMLPJOJXHYJJO-QMMMGPOBSA-N 254.294 -0.030 50 20 CBGD CC(C)(C(=O)NNC(=O)c1ccc[nH]1)S(C)(=O)=O 733124932 QYSZUBXSRWQRCQ-UHFFFAOYSA-N 273.314 -0.401 50 20 CBGD O=C(O)CSCCC(=O)NNC(=O)Cc1cccnc1 739845026 ASCZLYBCOAXDCM-UHFFFAOYSA-N 297.336 -0.021 50 20 CBGD O=C(O)NCCC(=O)NNC(=O)c1ccccn1 739938012 LSLIKESKQZIGKX-UHFFFAOYSA-N 252.230 -0.500 50 20 CBGD O=C(CO)NNC(=O)Nc1nnc(CC(F)(F)F)s1 757719425 DNNQNIIASIMSNU-UHFFFAOYSA-N 299.234 -0.212 50 20 CBGD O=C(NN=C1CCN2CCC[C@H]12)C(=O)NC1CC1 765565050 OZZVWHMHCKMVMK-SNVBAGLBSA-N 250.302 -0.395 50 20 CBGD CC(C)(C(N)=O)C(=O)NNC(=O)c1ccccn1 767396815 TVNFIVYNSSMSRL-UHFFFAOYSA-N 250.258 -0.646 50 20 CBGD CO[C@@H](C(=O)NNc1nccn(C)c1=O)C(C)C 771735811 DRPCXQYUXFTCKK-MRVPVSSYSA-N 254.290 -0.106 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1coc(C(N)=O)c1 772319123 SVSFUZGJZJLDMR-ZCFIWIBFSA-N 297.267 -0.519 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccn(C)n1 785677946 IMMNCBAYWQGFCE-ZETCQYMHSA-N 268.273 -0.477 50 20 CBGD CS(=O)(=O)NCCOC(=O)/C(C#N)=C/C1CC1 786679951 SINLCQFGGXEUNZ-RMKNXTFCSA-N 258.299 -0.061 50 20 CBGD COC[C@H](O)CNC(=O)NNC(=O)C1CCCC1 801765795 RURPDKWBEJPGHG-SECBINFHSA-N 259.306 -0.486 50 20 CBGD CC(=O)N1CCN(CCNS(=O)(=O)CCl)CC1 820786232 YVPCAYJIIUZWNO-UHFFFAOYSA-N 283.781 -0.734 50 20 CBGD C[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)N(C)C 821757239 ULEWXNPDSKSEPP-MRVPVSSYSA-N 288.348 -0.391 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 823879380 KZYILNYYKLJFBL-ZJUUUORDSA-N 257.334 -0.377 50 20 CBGD CC1=C(C(=O)NN(C)[C@H](C)CO)C(=O)OC1(C)C 823965721 SYVUMYWIRJEUNL-SSDOTTSWSA-N 256.302 -0.018 50 20 CBGD CS(=O)(=O)CC(=O)NNc1cccc(-c2nn[nH]n2)c1 826221955 BZUJLLWXJOAODW-UHFFFAOYSA-N 296.312 -0.646 50 20 CBGD CCc1nc(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n[nH]1 827114954 SEBWCDZJQNXONJ-HTQZYQBOSA-N 296.331 -0.378 50 20 CBGD CO[C@@H](Cc1ccccc1)C(=O)NNC(=O)CO 827894022 JQFGLBRNWIQUGL-JTQLQIEISA-N 252.270 -0.616 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCN1CCCC1=O 843649130 UAPOLKCVHXDNTP-ZJUUUORDSA-N 283.328 -0.429 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnn2c1OCCC2 843970103 BJASBIKCZOQWEO-DTWKUNHWSA-N 294.311 -0.148 50 20 CBGD CC[C@H](C#N)C(=O)NNC(=O)CNC(=O)c1cccnc1 846640762 VJBVEGVFPQJMFQ-SECBINFHSA-N 289.295 -0.491 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H](O)C1CC1 854377321 KUMGGGAZAONSSJ-VIFPVBQESA-N 250.258 -0.573 50 20 CBGD COCCN(C)CCCNC(=O)NNC(=O)c1cn[nH]c1 858276000 ZXAKWPFKAVRUDJ-UHFFFAOYSA-N 298.347 -0.678 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 858906905 IYCSQJXPQCHSIE-MRVPVSSYSA-N 294.315 -0.925 50 20 CBGD Cc1cccc(NNC(=O)CN2C(=O)C(=O)N(C)C2=O)n1 862523205 UYOZMYSFSNRVEO-UHFFFAOYSA-N 291.267 -0.746 50 20 CBGD Cc1cc(C(=O)NNC(=O)/C=C/CN2CCOCC2)n[nH]1 867067991 CHUHYCVXXKCZRM-NSCUHMNNSA-N 293.327 -0.632 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCCCS1(=O)=O 878251102 SSGRPGKGEMXOCH-UHFFFAOYSA-N 291.373 -0.395 50 20 CBGD C[C@@H](O)C(=O)N1CCN(S(=O)(=O)CCCCl)CC1 882030865 YIUGJOQATIJTEV-SECBINFHSA-N 298.792 -0.530 50 20 CBGD O=C(CN1CCCNC1=O)NNC(=O)c1ccncc1 915259946 OPGPKNKZDYCJJK-UHFFFAOYSA-N 277.284 -0.742 50 20 CBGD CN(C)C(=O)CNC(=O)NNC(=O)CC(F)(F)F 918058252 DPUGBNBUGOCCAV-UHFFFAOYSA-N 270.211 -0.643 50 20 CBGD C#CCN1CCC[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1 923593813 CUXBBWTWBLTASP-CQSZACIVSA-N 286.140 -0.806 50 20 CBGD CSCCNC(=S)NNC(=O)c1cc(=O)cc[nH]1 935197015 ZFFRLECZHLSMCT-UHFFFAOYSA-N 286.382 -0.153 50 20 CBGD COCCOc1cccc(NC(=O)C(=O)NNC(C)=O)c1 1116618145 JOOBMLVJMDBHIX-UHFFFAOYSA-N 295.295 -0.182 50 20 CBGD Cc1cc[nH]c1C(=O)NNC(=O)CS(C)(=O)=O 1118895744 YEXYNQMPVWHTQD-UHFFFAOYSA-N 259.287 -0.871 50 20 CBGD Cc1nocc1S(=O)(=O)N1CC[C@@H](B(O)O)C1 1118974602 IBCYVSNIDQQHCI-SSDOTTSWSA-N 260.080 -0.780 50 20 CBGD O=C(Cc1cc(O)nc(S)n1)NN=Cc1cc[nH]n1 1320193965 RODPDUXAYMGCFP-UHFFFAOYSA-N 278.297 -0.113 50 20 CBGD Cn1cc(C(=O)NNC(=O)CO)c(-c2ccncc2)n1 1320208140 DTGZYMQYGJPIKN-UHFFFAOYSA-N 275.268 -0.765 50 20 CBGD Nc1cnnc(NNC(=O)[C@H]2C[C@H](N)C2)c1Cl 1327929749 UFTNTFLNCFXNME-URHBZAFASA-N 256.697 -0.107 50 20 CBGD CCNC(=O)NNC(=O)C(C)(C)S(C)(=O)=O 1328076145 NBYFTZFMYMZISY-UHFFFAOYSA-N 251.308 -0.840 50 20 CBGD CS(=O)(=O)c1ccc(NNC(=O)[C@@H]2CCNC2=O)cc1 1328639613 WQZGEJFVMWWEHQ-SNVBAGLBSA-N 297.336 -0.331 50 20 CBGD O=C(NNC(=O)C1(F)CCOCC1)c1ccnnc1 1329960921 PKFNKCKICFBQFO-UHFFFAOYSA-N 268.248 -0.244 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@H]1CCNC1=O 1330860454 ANLXGRPMOAIZOM-BYPYZUCNSA-N 253.180 -0.778 50 20 CBGD CN(C)C(=O)c1ccc(CN2CC[C@H](B(O)O)C2)[nH]1 1331826793 MTLYIXGZPQWLEI-VIFPVBQESA-N 265.122 -0.235 50 20 CBGD CO[C@@H](C)CS(=O)(=O)NNC(=O)c1cn[nH]c1 1331833003 FXHQALBIKWRDMN-LURJTMIESA-N 262.291 -0.991 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)N[C@H]2CCOC2=O)cn1 1332138046 ZDZHQKLDFXVDOI-FWAPLPHYSA-N 260.253 -0.241 50 20 CBGD CC(=O)NNC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F 1332407318 GKHOEUVFAXCURT-PHDIDXHHSA-N 288.247 -0.623 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1cnn(C)c1 1345930059 JNDGCUOQEGLJHE-VXNVDRBHSA-N 288.329 -0.845 50 20 CBGD CCn1cc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)nn1 1550697938 YLROGDDRIIOODM-RYUDHWBXSA-N 292.343 -0.389 50 20 CBGD CO[C@@H]1CN[C@@](C)(C(=O)NNC(=O)NCC2CC2)C1 1573962150 XJQIHYZFZNVFDB-JOYOIKCWSA-N 270.333 -0.506 50 20 CBGD O=C(O)C1=NO[C@@H](C(=O)NN=c2cc[nH]cc2)C1 1574644317 SGOYAVMYKROURY-MRVPVSSYSA-N 250.214 -0.824 50 20 CBGD Cn1cc(C(=O)NNC(=O)CC[C@H]2CCNC2)ccc1=O 1579953296 ROWOBYSMGSASNX-JTQLQIEISA-N 292.339 -0.464 50 20 CBGD CCC[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)O 1596019782 HAOMCZPPEKABJU-JTQLQIEISA-N 265.074 -0.651 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)NC2CC2)c(C)o1 48482495 NSWNROPNNSQIBM-UHFFFAOYSA-N 265.269 -0.064 50 20 CBGD O=C(Cn1ccc([N+](=O)[O-])n1)NNC(=O)[C@@H]1CCCO1 48779271 QHABNNDPCDRIGS-ZETCQYMHSA-N 283.244 -0.882 50 20 CBGD O=C(NNc1cccnn1)N[C@@H]1CC(=O)N(C2CC2)C1 79043174 RAZXBRPIDVVBLV-MRVPVSSYSA-N 276.300 -0.134 50 20 CBGD Cn1c(=O)ccn(CC(=O)NNc2ccccc2F)c1=O 152969053 MAYSWQKLNFHFID-UHFFFAOYSA-N 292.270 -0.171 50 20 CBGD COc1cc(C)nc(NNC(=O)CCS(C)(=O)=O)n1 266917960 HBTKREIZKUYWEJ-UHFFFAOYSA-N 288.329 -0.329 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CN2CCCN1CC2 367149765 YFXGXKKIUAWUKM-LBPRGKRZSA-N 291.355 -0.824 50 20 CBGD O=C(CNC(=O)OCC(F)(F)F)NNC(=O)C1CC1 491329950 WWOOIFBJTAURGR-UHFFFAOYSA-N 283.206 -0.168 50 20 CBGD C#CCN(CC#N)CC(=O)NNC(=O)c1cccs1 491442007 YYWYVPQEFUPBPX-UHFFFAOYSA-N 276.321 -0.032 50 20 CBGD CN(C(=O)c1ccc(B(O)O)cc1)C1(C#N)CCC1 584933166 BDVFQNHYLWONQV-UHFFFAOYSA-N 258.086 -0.115 50 20 CBGD CCO[C@H](C)CNC(=O)c1cc(B(O)O)ccc1F 584953928 ZKEAXKIWKJBKMR-MRVPVSSYSA-N 269.081 -0.340 50 20 CBGD C[C@H](CNC(=O)c1cc(B(O)O)ccc1F)[S@](C)=O 584967373 UJRQMAIACXDEQJ-XJZHNMMOSA-N 287.121 -0.998 50 20 CBGD C[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)CC[C@@H]1O 584975109 SUUMFJIQWSPQNZ-SKDRFNHKSA-N 263.102 -0.791 50 20 CBGD CC[C@]1(CO)CCCN1C(=O)c1ccc(B(O)O)c(F)c1 584979323 QVJJFPRUVDQSQM-CQSZACIVSA-N 295.119 -0.117 50 20 CBGD O=C(NC[C@@H]1CC[C@@H](O)C1)c1ccc(B(O)O)cc1 584980229 UHFJJXOJKFHPNH-BXKDBHETSA-N 263.102 -0.743 50 20 CBGD C[C@@H]1C[C@H](NC(=O)c2ccc(B(O)O)cc2)c2nccn21 584996439 HNVGRUBBSRJAKU-SKDRFNHKSA-N 285.112 -0.001 50 20 CBGD CN(C)CC(C)(C)NC(=O)c1ccc(B(O)O)cc1 584997967 MKNSQHDFQJPWAC-UHFFFAOYSA-N 264.134 -0.564 50 20 CBGD C[C@](CO)(CCF)NC(=O)c1cccc(B(O)O)c1 585010234 LAGZIZYEFKIAFO-GFCCVEGCSA-N 269.081 -0.793 50 20 CBGD Cc1cnc(CCNCc2cccc(B(O)O)c2)nc1 585032300 SLUZTNGSMPBEPJ-UHFFFAOYSA-N 271.129 -0.203 50 20 CBGD Cn1cc(C=NNC(=O)CC(C)(C)C)c(=O)n(C)c1=O 728429074 RFGBSKJYVLRIRK-UHFFFAOYSA-N 280.328 -0.030 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)CC(=O)NC(C)C 731849869 ITTLDIDNPQUCJQ-VIFPVBQESA-N 272.349 -0.611 50 20 CBGD CC(=O)N1CCN(CC(=O)NNC(=O)C(C)(C)C)CC1 744384355 NAVTTYBVMAOWCC-UHFFFAOYSA-N 284.360 -0.656 50 20 CBGD COCCCNC(=O)NNC(=O)Cc1cc[nH]n1 746168761 PYISIDSBIZVHFK-UHFFFAOYSA-N 255.278 -0.681 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CNC(=O)C2CC2)o1 752522814 GSEITEJSGOKSFY-UHFFFAOYSA-N 265.269 -0.125 50 20 CBGD Cc1c(C(=O)NNC(=O)CO)[nH]c2c1C(=O)CCC2 753444749 PYQGOKKWKHYLPS-UHFFFAOYSA-N 265.269 -0.405 50 20 CBGD COCC(=O)NNc1nccc(N2CCOCC2)n1 762867422 WEJNTCZYKOPWRD-UHFFFAOYSA-N 267.289 -0.597 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccccc1 764299340 CWUCXCIUGYESDV-UHFFFAOYSA-N 251.242 -0.581 50 20 CBGD CN(C)c1cccc(C(=O)NNC(=O)c2nc[nH]n2)c1 772706279 KTRWSUNSRDEIEU-UHFFFAOYSA-N 274.284 -0.055 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1(F)CCCC1 776138118 IUJIZXPFJAMCHC-ZETCQYMHSA-N 295.336 -0.646 50 20 CBGD COC(=O)[C@@H](C)SCC(=O)NNC(=O)C1CC1 777503653 BOBJIGFCPLWBKQ-ZCFIWIBFSA-N 260.315 -0.162 50 20 CBGD CCOC(=O)NCC(=O)O[C@@H](C)C(=O)NNC(=O)CC 785661859 XSICVSXKMHEGQK-ZETCQYMHSA-N 289.288 -0.778 50 20 CBGD COC1(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)CCCC1 790162546 RLBIBOGHBPOUTJ-SECBINFHSA-N 291.373 -0.015 50 20 CBGD Cn1cnc(CNC(=O)NNc2nc3ccccn3n2)n1 790442125 LKUPMWDPNNLPSE-UHFFFAOYSA-N 287.287 -0.316 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CCC(=O)c2cccn21 790919133 ITJRUYOUFVIMEI-QMMMGPOBSA-N 251.242 -0.855 50 20 CBGD CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)[C@@H]1CCNC1=O 799353154 BTUKIDJEIXPWEP-WDEREUQCSA-N 298.387 -0.221 50 20 CBGD CCN(CC)CCC(=O)NN=Cc1cnn(C)n1 814757889 VEYKYUOPLXABJS-UHFFFAOYSA-N 252.322 -0.003 50 20 CBGD COC(=O)c1cc(C=NNC(=O)N2CCOCC2)on1 814821073 JPMZGAPYNRCWEZ-UHFFFAOYSA-N 282.256 -0.163 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NNC(=O)C(C)(C)C 825965508 YGYPPZNHKSSDGE-JGVFFNPUSA-N 286.332 -0.181 50 20 CBGD Cc1c(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)nnn1C 831865355 ICUHYPXEIWZQAW-HTQZYQBOSA-N 282.304 -0.299 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 843660783 MBDYCXABLLIIBJ-RULNZFCNSA-N 257.246 -0.776 50 20 CBGD CCc1nocc1C(=O)NNC(=O)N1CCN(C)CC1 854381378 IXKROPVXRLAAPR-UHFFFAOYSA-N 281.316 -0.161 50 20 CBGD CNC(=S)N(C)NC(=O)CNC(=O)OC(C)(C)C 854926310 VWXKXTMQLJXWMP-UHFFFAOYSA-N 276.362 -0.022 50 20 CBGD C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)C(=O)NC2CC2)[C@@H]1C 858167604 FQEYFNULCKQCBF-JIOCBJNQSA-N 283.328 -0.528 50 20 CBGD COC[C@@H]1CCCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858702041 WSPKLVMFVSRBBZ-IUCAKERBSA-N 284.316 -0.883 50 20 CBGD CCCc1cc(C(=O)NNC(=O)CS(C)(=O)=O)n[nH]1 863458686 DPLWWTUQAKEYDL-UHFFFAOYSA-N 288.329 -0.832 50 20 CBGD COC(=O)CCN(C(=O)c1ccc(B(O)O)cc1)C(C)C 863873143 YAEKATOHAIDCNE-UHFFFAOYSA-N 293.128 -0.220 50 20 CBGD COCCOCC(=O)NNC(=O)c1cncc(COC)c1 869903435 SITHUMCCOJABHG-UHFFFAOYSA-N 297.311 -0.348 50 20 CBGD CCn1ccnc1C(=O)NNC(=O)COCCOC 869906876 UTVPEDOMSRCFCG-UHFFFAOYSA-N 270.289 -0.673 50 20 CBGD O=C1CN(CC(=O)NNc2ccnc(F)c2)CCN1 907274368 AOBGIGYMKCTMCL-UHFFFAOYSA-N 267.264 -0.904 50 20 CBGD C[C@@]1(C(=O)NCC(=O)NCC#N)C[C@H]1Br 908176486 PVLIUWYLVBQPPH-HZGVNTEJSA-N 274.118 -0.084 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(CC)CCC(=O)NC 933862841 BXHLOZWZMGLECZ-SECBINFHSA-N 272.349 -0.610 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc(S(N)(=O)=O)s1 1115991263 MFGIQISUEDNYHP-UHFFFAOYSA-N 292.342 -0.689 50 20 CBGD Cc1cc(CN(C)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)no1 1118864807 UHXCSNIVEOABHD-VIFPVBQESA-N 295.299 -0.566 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@]2(C)CCNC2=O)cc1 1119093586 UPRBZUDNUBNKDM-CQSZACIVSA-N 291.307 -0.018 50 20 CBGD CO[C@@H]1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C[C@@H]1C 1261791272 LJSSYODNFIEUKB-LPEHRKFASA-N 298.343 -0.637 50 20 CBGD COc1ccncc1NC(=O)C(=O)NNC(=O)C(C)C 1321140633 OWTSRMMOZGHCET-UHFFFAOYSA-N 280.284 -0.168 50 20 CBGD O=C(/C=C/c1ccc[nH]1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1323010485 CXRBNALZDZACRP-CDAZIORVSA-N 297.336 -0.390 50 20 CBGD Cc1nn(C)c(-n2cccn2)c1C(=O)NNc1nc[nH]n1 1325022408 DMWMKJRVBSKRBL-UHFFFAOYSA-N 287.287 -0.211 50 20 CBGD Cn1cccc1C(=O)NNC(=O)C[C@@H]1C=CS(=O)(=O)C1 1331723389 TVBAMKPIPAQVIZ-VIFPVBQESA-N 297.336 -0.266 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1cccc(C#N)c1 1331736424 LZMWUCACHQHVJQ-UHFFFAOYSA-N 295.320 -0.707 50 20 CBGD Cn1cc(Cl)c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 1331803253 NJZZGXJLWXJVCA-LURJTMIESA-N 285.691 -0.887 50 20 CBGD O=C(NNc1ncncc1F)C1=NN2CCCN=C2N1 1334419489 AMLODDLZEUKKNI-UHFFFAOYSA-N 278.251 -0.963 50 20 CBGD O=C(NNC(=O)c1cnn(C2CC2)c1)C(=O)N1CCCC1 1334957624 OKSSCDRICJSFFS-UHFFFAOYSA-N 291.311 -0.399 50 20 CBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNC(=O)CC(F)(F)F)O1 1335297029 IGVIVJSFKAUFHY-CRCLSJGQSA-N 283.206 -0.881 50 20 CBGD CC(C)NC(=O)CNC(=S)NNC(=O)c1cn[nH]c1 1348412020 RLOMOBQHLWOPCX-UHFFFAOYSA-N 284.345 -0.957 50 20 CBGD Cc1ccc(SCC(=O)NNC(=O)C[C@H](O)CN)cc1 1579735635 WXUWCZUZSRUIFK-JTQLQIEISA-N 297.380 -0.056 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1 1588440134 MMXUTXBSYTZVMZ-FXPVBKGRSA-N 282.296 -0.185 50 20 CBGD C=C(CO)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 1588444013 GCLKLXSCBLMBBR-UHFFFAOYSA-N 260.257 -0.142 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CO[C@H](CCC(=O)O)C1 1593793547 SMEKEJSCSWVRAK-NKWVEPMBSA-N 259.262 -0.784 50 20 CBGD O=C(N[C@@H](C(=O)O)c1ccccc1)c1ccc(B(O)O)cc1 1601563553 LELSOYKYFMSMPX-CYBMUJFWSA-N 299.091 -0.078 50 20 CBGD C[C@H](CC(=O)O)C(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 1604095247 RTCMAGANBHTOPA-LURQLKTLSA-N 270.285 -0.188 50 20 CBGD COC(=O)[C@@H](C)n1cccc1C=NNC(=O)NCC(=O)O 1606322636 GIIZJSQLPXHQAX-MRVPVSSYSA-N 296.283 -0.060 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1c[nH]c(C(=O)O)c1 1610700974 YPBHEVBJBIBSHW-UHFFFAOYSA-N 282.256 -0.601 50 20 CBGD Cc1ccc(C(N)=O)cc1NC(=O)NNC(=O)CN(C)C 274240625 UHGSBDFPHOGVIN-UHFFFAOYSA-N 293.327 -0.192 50 20 CBGD O=C(NNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]21)c1ccccn1 289750816 IVODXSMZXPVYQQ-HOSYDEDBSA-N 291.307 -0.106 50 20 CBGD CO[C@H]1COCC[C@@H]1CC(=O)Nc1cccc(B(O)O)c1 584913004 YWVDHKABWOQRLD-MFKMUULPSA-N 293.128 -0.254 50 20 CBGD C[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)c1ncnn1C 584980120 QYHVACITRUNURL-SSDOTTSWSA-N 292.079 -0.875 50 20 CBGD COCC1(NC(=O)c2cccc(B(O)O)c2)CCOCC1 584992315 KIHYLFLLUVUMRN-UHFFFAOYSA-N 293.128 -0.708 50 20 CBGD CC[C@H]1COC[C@@H]1NC(=O)c1cc(B(O)O)ccc1F 585007395 LTUSJPMYSMWMMV-UFBFGSQYSA-N 281.092 -0.340 50 20 CBGD CC(C)COC[C@H](O)CNCc1cccc(B(O)O)c1 585018055 GHPJOGLAPIBPJL-CQSZACIVSA-N 281.161 -0.511 50 20 CBGD C[C@H](CN1CCCC1=O)NCc1cccc(B(O)O)c1 585018683 OSKDNVDBCJAFAM-LLVKDONJSA-N 276.145 -0.533 50 20 CBGD C[C@H](NCc1ccc(B(O)O)o1)C(=O)NCc1ccco1 585032893 PQUATCZHTFFSLQ-VIFPVBQESA-N 292.100 -0.653 50 20 CBGD C[C@@H](c1ccccc1)N1C[C@H](C(=O)NCB(O)O)CC1=O 585057271 BCDHPWBTYALXGY-CMPLNLGQSA-N 290.128 -0.276 50 20 CBGD CO[C@H](CS(=O)(=O)NCB(O)O)C1CCCC1 585057446 USCDPHBGGZOOOV-SECBINFHSA-N 265.140 -0.877 50 20 CBGD CC(C)[C@H](C(=O)NCB(O)O)N1C[C@H](C)O[C@H](C)C1 585059987 INNRSMGLSBYUEW-OUAUKWLOSA-N 272.154 -0.752 50 20 CBGD CCOC(=O)CCCNC(=O)NNC(=O)c1cnn(C)c1 735512417 LYLSTFMGHWSUBI-UHFFFAOYSA-N 297.315 -0.293 50 20 CBGD O=C(CCC(=O)N1CCOCC1)NNc1cccnn1 736697234 ANUPWYWLXWDQLC-UHFFFAOYSA-N 279.300 -0.441 50 20 CBGD Cc1nnc(NNC(=O)CCCN(C)C(=O)O)nc1O 738931189 HGMXNVPIARKLCY-UHFFFAOYSA-N 284.276 -0.281 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H](C)CS(C)(=O)=O 747522979 ZAKZCLWEXANULQ-ZETCQYMHSA-N 279.387 -0.652 50 20 CBGD CNC(=O)NNC(=O)c1cc(Br)nn1C 757870647 HDCUMMPIRPQQJN-UHFFFAOYSA-N 276.094 -0.244 50 20 CBGD COC(=O)c1cc(F)ccc1S(=O)(=O)NNC(C)=O 775249199 HERTUCQEXITAPS-UHFFFAOYSA-N 290.272 -0.058 50 20 CBGD NC(=O)C(=O)NN=C1CCOc2c1cc(F)cc2[N+](=O)[O-] 783785957 JYXMSCUBEGUMRB-UHFFFAOYSA-N 296.214 -0.178 50 20 CBGD C[C@@H](O)C(=O)NNC(=O)c1cc(Br)c[nH]1 786702187 ATDFUIJBFMBSKX-SCSAIBSYSA-N 276.090 -0.081 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)[C@@H]1CC(C)(C)OC1=O 795711764 WWBXRAAVAROFKM-SECBINFHSA-N 283.328 -0.430 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCc1cnccn1 795917610 SEXONQNQOMRRGZ-SECBINFHSA-N 294.311 -0.102 50 20 CBGD C[C@H](C(=O)NNC(=O)NCC(F)(F)F)n1cncn1 798314854 DIICGTMYEMXQCJ-RXMQYKEDSA-N 280.210 -0.268 50 20 CBGD CO[C@@H](C(=O)NNC(=O)c1cccnc1)c1cnn(C)c1 798823354 MLBCMGTWNSDPHA-LLVKDONJSA-N 289.295 -0.036 50 20 CBGD CC(C)NC(=O)C(=O)NN=C1CCCc2nc(N)ncc21 814777458 WKYJUMFEYBETMS-UHFFFAOYSA-N 290.327 -0.260 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@H](C)n1cccn1 819028510 HZYMHUYWJLQZCZ-VIFPVBQESA-N 281.316 -0.494 50 20 CBGD COCCN(C)NC(=O)[C@@H](C)Sc1nncn1C 819745367 ZROOHDHJVBTZMV-MRVPVSSYSA-N 273.362 -0.095 50 20 CBGD CCN(CCO)NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 823833725 GVCFXFJRSBJPES-GHMZBOCLSA-N 297.355 -0.493 50 20 CBGD CCN(CCO)NC(=O)CNC(=O)c1ccc(F)cc1 823834126 SNYRLDYGVHRTME-UHFFFAOYSA-N 283.303 -0.099 50 20 CBGD Cc1ccccc1CC(=O)NNC(=O)CNC(=O)O 830566942 JBWXTFLISOFSAD-UHFFFAOYSA-N 265.269 -0.047 50 20 CBGD CCCN1C[C@@H](C(=O)NNC(=O)NCC2CC2)CC1=O 840288914 PHNHGMPUXSTXBY-JTQLQIEISA-N 282.344 -0.015 50 20 CBGD O=C(CO[C@H]1CCCNC1)NNc1ncccn1 843378982 LHBORSZJOHUFPZ-VIFPVBQESA-N 251.290 -0.312 50 20 CBGD C[C@@H](C(=O)NNC(=O)CC1CC1)[C@H]1CCC(=O)N1 861842278 GAXCPDLWPQCZKS-VXNVDRBHSA-N 253.302 -0.151 50 20 CBGD Cc1cc(=NNC(=O)[C@@H]2CCOC(=O)N2)cc[nH]1 862514962 CKIIAWPASOPIGY-VIFPVBQESA-N 250.258 -0.246 50 20 CBGD O=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 863879586 WGWGLTWXILOIRM-TXEJJXNPSA-N 273.097 -0.298 50 20 CBGD COCCOCC(=O)NNC(=O)c1cnccc1C 869909726 HSDQRVLBFDHMHA-UHFFFAOYSA-N 267.285 -0.186 50 20 CBGD COCCOCC(=O)NN=C(C)C[C@H]1CCC(=O)N1 872400894 XCTKIJHLCZNOKF-SNVBAGLBSA-N 271.317 -0.190 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1COCCN1CC(F)F 910160860 OZCFEWUJNFZANG-BDAKNGLRSA-N 281.303 -0.704 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=S)NCc2ccccc2)N1 913439182 BUOIASHMPKKXBM-JTQLQIEISA-N 292.364 -0.040 50 20 CBGD O=C(NNc1ncccn1)c1cccn2c(O)nnc12 1116449103 OCFUVRZEJCDBAG-UHFFFAOYSA-N 271.240 -0.018 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC2(CC1)CNC(=O)O2 1119700224 GDBHZUODQSXTLT-VIFPVBQESA-N 298.343 -0.493 50 20 CBGD N#C[C@]1(F)CCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1261791999 ITYNVTSZQYDVNO-SNVBAGLBSA-N 266.236 -0.298 50 20 CBGD CS(=O)(=O)c1ccccc1NNC(=O)[C@H]1CCC(=O)N1 1319219412 KBGZQQUTHWDAEW-SECBINFHSA-N 297.336 -0.188 50 20 CBGD CC(C)[C@@H](O)C(=O)NNC(=O)C(=O)Nc1ccccn1 1321904139 AJVYQRJVIWAXAN-SECBINFHSA-N 280.284 -0.816 50 20 CBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cnn(C)c2)CCN1C 1322211911 YLNKALPQKOSUJQ-ONGXEEELSA-N 294.359 -0.153 50 20 CBGD CCN(CCO)NC(=O)[C@@H](C)CS(C)(=O)=O 1329862321 MBBIEAROKGWWMW-QMMMGPOBSA-N 252.336 -0.988 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)o1 1330304299 FTMDMMUCSGPFRQ-UHFFFAOYSA-N 276.252 -0.465 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)c1cc[nH]n1 1331248424 WWYLEYLAQYMMKZ-ZETCQYMHSA-N 275.272 -0.975 50 20 CBGD O=C(CCc1ncccn1)NNC(=O)N1CCOCC1 1347480094 ZGVHKXOILQJJGZ-UHFFFAOYSA-N 279.300 -0.518 50 20 CBGD C#CCCCC(=O)NNC(=O)c1ccc(=O)n(C)n1 1351836460 WFUQZZNIQGWAAK-UHFFFAOYSA-N 262.269 -0.655 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1CN2CCN1C[C@H]2C 1352293421 YOIDSDPURIJEFP-ZJUUUORDSA-N 292.343 -0.683 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CN1CCC(CO)CC1 1353728762 WJFSBXOEDNDMFJ-JTQLQIEISA-N 259.350 -0.966 50 20 CBGD O=C(O)C1=NO[C@H](C(=O)NNC(=O)c2ccncc2)C1 1574643372 BIAWKLHIKSMQKB-QMMMGPOBSA-N 278.224 -0.928 50 20 CBGD C=C[C@@H](O)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1588526145 QPADGOJSALZEMV-SECBINFHSA-N 288.267 -0.825 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C(C)(C)C(=O)O 1589512641 KEIALFFRILUDBW-UHFFFAOYSA-N 287.316 -0.451 50 20 CBGD Cn1ccnc(NNC(=O)C2(C(=O)O)CC=CC2)c1=O 1594551516 IHPOBUQTCGBKEE-UHFFFAOYSA-N 278.268 -0.356 50 20 CBGD O=C(O)[C@@H]1[C@H](O)CCCN1S(=O)(=O)CCl 1608596497 SYVVSTNPITYUED-RITPCOANSA-N 257.695 -0.578 50 20 CBGD O=C(O)CSCCC(=O)NNC(=O)[C@@H]1CCCCO1 1608766860 MARDZRJMFOGWLN-QMMMGPOBSA-N 290.341 -0.089 50 20 CBGD O=C(O)c1ccccc1S(=O)(=O)N1CC[C@H](B(O)O)C1 1608948894 JEDWOKZXFFDPSH-QMMMGPOBSA-N 299.113 -0.378 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccc(-c2nn[nH]n2)o1 1609229088 COQDPLAKTINEEB-UHFFFAOYSA-N 279.260 -0.234 50 20 CBGD COc1ccnc(C(=O)NNC(=O)c2cnn(C)c2)c1 117682232 HRSNXPYIHRBAJX-UHFFFAOYSA-N 275.268 -0.102 50 20 CBGD O=C1NC[C@@H]2CN(S(=O)(=O)CBr)CCN12 127530422 MUSAHJFDMUZHSB-ZCFIWIBFSA-N 298.162 -0.622 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CCN(C(=O)CC)C1 133064190 UHENINWEBCXRLZ-VIFPVBQESA-N 284.385 -0.074 50 20 CBGD CN1C[C@H](NC(=O)NNC(=O)C(C)(C)C)CC1=O 267608855 JXYRMQTZYGGPOA-SSDOTTSWSA-N 256.306 -0.406 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@@H]1CCCCO1 267933885 QEJQHSLCFFTPBD-VIFPVBQESA-N 271.317 -0.382 50 20 CBGD COc1ccnc(NNC(=O)N[C@@H](C)C[S@@](C)=O)n1 273575087 YKYXUNTXXHFUIE-ZDVLTJLQSA-N 287.345 -0.122 50 20 CBGD CC[C@](C)(OC)C(=O)NNC(=O)C(=O)NC1CC1 280947690 JJWWYFIBLCJDOB-NSHDSACASA-N 257.290 -0.773 50 20 CBGD COC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)c1cccn1C 284907026 ATQSBDAKPOKODD-RKDXNWHRSA-N 279.296 -0.015 50 20 CBGD CC(C)(C)n1cnc(C(=O)NNC(=O)[C@@H]2CCCO2)n1 292123117 KKFZGSSZEUOULT-QMMMGPOBSA-N 281.316 -0.027 50 20 CBGD CCn1nncc1C(=O)NNC(=O)Cn1nc(C)cc1C 292686090 PHOVOZVPDZRJDP-UHFFFAOYSA-N 291.315 -0.427 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)CCn2ccnn2)O1 293765098 ABRANQKWKNLCIV-IUCAKERBSA-N 267.289 -0.617 50 20 CBGD C[C@H](CNS(=O)(=O)CBr)S(C)(=O)=O 308339349 PZIZDBIMQLGNMB-RXMQYKEDSA-N 294.192 -0.309 50 20 CBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NNC(=O)N(C)C)C2 496273775 KGPMWYGRVQHLEF-AEJSXWLSSA-N 296.327 -0.068 50 20 CBGD CCCCS(=O)(=O)NCC(=O)NN(C)C(=O)OC 497152745 NRAPIMPKGBZTAN-UHFFFAOYSA-N 281.334 -0.565 50 20 CBGD CC1(C)CN(CC(=O)Nc2cccc(B(O)O)c2)C1 584912745 VVEQEVFASGIYBN-UHFFFAOYSA-N 262.118 -0.353 50 20 CBGD CN(CC1CC1)C(=O)c1cc(B(O)O)ccc1F 584931931 LLCRTGQMPDXSQE-UHFFFAOYSA-N 251.066 -0.013 50 20 CBGD CC(C)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)C1 584940580 VQGOPMCFDYMZIT-LBPRGKRZSA-N 290.172 -0.174 50 20 CBGD O=C(NC[C@H]1CCC[C@@H](O)C1)c1ccc(B(O)O)cc1 584952282 VKKNRVXDLAYGCT-GXFFZTMASA-N 277.129 -0.353 50 20 CBGD CN1CC=C(CCNC(=O)c2ccc(B(O)O)cc2)CC1 584968598 ZEOMZLHNDONDRU-UHFFFAOYSA-N 288.156 -0.252 50 20 CBGD C[C@@H](O)CN(C(=O)c1cccc(B(O)O)c1)C1CC1 585009529 ZWDYTMGMAZLWIJ-SECBINFHSA-N 263.102 -0.648 50 20 CBGD OB(O)c1ccc(CNCC2(O)CCSCC2)c(F)c1 585016404 MXPMRRLVDWKTRX-UHFFFAOYSA-N 299.176 -0.147 50 20 CBGD C[C@@H](Cn1cncn1)NCc1ccc(B(O)O)cc1F 585019544 NVJMBRIZKGEXEQ-VIFPVBQESA-N 278.096 -0.725 50 20 CBGD CC(C)[C@@](C)(O)CNCc1cccc(B(O)O)c1 585024013 RVYIRZXZFADZBL-ZDUSSCGKSA-N 251.135 -0.137 50 20 CBGD NC(=O)[C@H]1CCC[C@H](NCc2ccc(B(O)O)cc2F)C1 585030072 OIIDAPUGEZNWNO-CABZTGNLSA-N 294.135 -0.361 50 20 CBGD OB(O)c1ccc(CNCc2nc(C3CC3)n[nH]2)o1 585043588 OOIPAYOQWQGQEX-UHFFFAOYSA-N 262.078 -0.755 50 20 CBGD C[C@@H](CNS(=O)(=O)CCCCl)S(C)(=O)=O 697591407 JMPPIDRSZOUOGT-ZETCQYMHSA-N 277.795 -0.032 50 20 CBGD C#CC[C@@H](CO)NS(=O)(=O)CBr 717760204 LTTLSKFYXUFAMU-LURJTMIESA-N 256.121 -0.358 50 20 CBGD CN1CCO[C@@H](C(=O)NNc2ccnc(N(C)C)n2)C1 754419464 GFYLSTYEKAPESB-SECBINFHSA-N 280.332 -0.684 50 20 CBGD C#CCNC(=S)NNC(=O)C(=O)NC(CC)CC 758245795 JKMVYIVWMXNLSK-UHFFFAOYSA-N 270.358 -0.580 50 20 CBGD CCO[C@@H]1COCC[C@@H]1N[C@@H](C)C(=O)NNC(=O)CC 776488697 VEMURLRGOPTNTI-GARJFASQSA-N 287.360 -0.284 50 20 CBGD CCCc1c(C(=O)NNC(=O)CO)[nH]c(C)c1C(=O)OC 777782055 WKLUYAWKXFPZRK-UHFFFAOYSA-N 297.311 -0.184 50 20 CBGD C[C@H]1C(=O)NCCCN1CC(=O)NNC(=O)C(C)(C)C 788274758 BGSYPEIMSFUTEN-VIFPVBQESA-N 284.360 -0.610 50 20 CBGD CC(=O)NNC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C 789867588 SRPNYWFYCDUSBZ-LURJTMIESA-N 269.223 -0.143 50 20 CBGD CC(=O)NNC(=O)[C@](C)(O)Cn1c(C)cccc1=O 792010588 CDVCEKQGAGZHGE-GFCCVEGCSA-N 267.285 -0.925 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H](CO)NC(=O)C(C)C 813424544 YWDBRPBEUCUPJM-VIFPVBQESA-N 288.348 -0.750 50 20 CBGD CC[C@H](CS(=O)(=O)NNC(=O)NCCCOC)OC 817353102 CTHKXOHQEIWWDY-SECBINFHSA-N 297.377 -0.419 50 20 CBGD CCS(=O)(=O)N[C@H](C)C(=O)NNc1ccccn1 831755430 FVNTYLWGESNTRL-MRVPVSSYSA-N 272.330 -0.148 50 20 CBGD COCCNCC(=O)NNc1nc(-c2cccnc2)no1 831890660 QFYURRYMFKYHSC-UHFFFAOYSA-N 292.299 -0.189 50 20 CBGD Cn1nnc2cc(C=NNC(=O)NCC(=O)O)ccc21 833759355 GYJXQEDJUDLRDD-UHFFFAOYSA-N 276.256 -0.314 50 20 CBGD CCN1C[C@H](NC(=O)NNC(=O)C2CCC2)CC1=O 836611557 RARIZHMAUXBTRX-SECBINFHSA-N 268.317 -0.262 50 20 CBGD O=C(COc1ccccc1F)NNC(=O)N[C@@H]1CCNC1 841938586 GEZWRPWEALHRDH-SECBINFHSA-N 296.302 -0.103 50 20 CBGD Cn1nnc2c1CC[C@H](NC(=O)NNc1ccncn1)C2 848670289 QBYQRCQEZJVMHF-QMMMGPOBSA-N 288.315 -0.211 50 20 CBGD O=C(COC[C@H]1CCCO1)NNC(=O)c1cc[nH]n1 855358282 DYPYHEMKZFSEJL-MRVPVSSYSA-N 268.273 -0.634 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC[C@H](C3CC3)C2)N1 858697335 RRKHZUKYGVDGTO-VHSXEESVSA-N 280.328 -0.262 50 20 CBGD COc1csc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862457037 ZGTRVQKVZMYONP-SSDOTTSWSA-N 283.309 -0.204 50 20 CBGD COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)CS(C)(=O)=O 863466173 NPBHHZLWBGGWHI-HTQZYQBOSA-N 280.346 -0.903 50 20 CBGD C[C@@H](NNC(=O)c1cccc(B(O)O)c1)C(F)(F)F 863887148 DHENKSFISMXUJP-ZCFIWIBFSA-N 276.023 -0.448 50 20 CBGD CCOCCC(=O)NNC(=O)Cc1cc(C)[nH]n1 869012406 PQQHCRDYWNQRDP-UHFFFAOYSA-N 254.290 -0.165 50 20 CBGD C[C@H](Cc1cnccn1)NCc1cccc(B(O)O)c1 876975569 FXNBKWHTJLRELZ-LLVKDONJSA-N 271.129 -0.123 50 20 CBGD CN(CCI)CCS(N)(=O)=O 880084664 PHHSADPJQZWMCD-UHFFFAOYSA-N 292.142 -0.358 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1CCOC(=O)N1 887150787 XHGAHPRIGBTNEU-MRVPVSSYSA-N 253.258 -0.564 50 20 CBGD COCCN(CCC(=O)O)S(=O)(=O)CCl 899579020 QUUCHTLUYAGTOP-UHFFFAOYSA-N 259.711 -0.064 50 20 CBGD COc1ccnc(NNC(=O)[C@@H](C)NC(C)=O)n1 914763181 WHIUPSHMLVSIEJ-ZCFIWIBFSA-N 253.262 -0.547 50 20 CBGD CN(CC(=O)NNC(=O)c1cccn1C)C(=O)C1CC1 915695066 ISEUIPNPBFLHHM-UHFFFAOYSA-N 278.312 -0.346 50 20 CBGD COc1ccc(/C=C(\C#N)C(N)=O)cc1OCC(N)=O 1317704746 RRUFESBMHNOPFC-RUDMXATFSA-N 275.264 -0.048 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)no1 1318094239 DFKSIQKEYXWWOD-UHFFFAOYSA-N 266.257 -0.634 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]1C1CC1)[C@H]1CCS(=O)(=O)C1 1318969914 WDQTUQDMLRTGRW-LPEHRKFASA-N 286.353 -0.385 50 20 CBGD CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)Cc2cc[nH]n2)C1 1320106363 HQWDRMKGYKGSHB-CYBMUJFWSA-N 293.327 -0.642 50 20 CBGD COc1ccc(NC(=O)C(=O)NNC(=O)CCO)c(C)c1 1320236953 HAQMSRZKUDCYRN-UHFFFAOYSA-N 295.295 -0.528 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)ncn2C 1320248936 VDPLPORKOIRWIF-UHFFFAOYSA-N 291.267 -0.101 50 20 CBGD Cc1c(C(=O)NNc2nc3ccccn3n2)nnn1C 1321873888 MNTDXGSVDGBPAI-UHFFFAOYSA-N 272.272 -0.077 50 20 CBGD CC1=NO[C@H](C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1 1328421987 JSYQQWIJUKTPQF-VGMNWLOBSA-N 255.274 -0.276 50 20 CBGD Cc1ccncc1C=NNC(=O)CS(C)(=O)=O 1330141849 FDWHURFEFZELTE-UHFFFAOYSA-N 255.299 -0.115 50 20 CBGD CNC(=S)N(C)NC(=O)c1cn(C2CC2)nn1 1335285735 SXMXMOZFEXNRIO-UHFFFAOYSA-N 254.319 -0.306 50 20 CBGD CC(C)(C=NNC(=O)C(=O)NC1CC1)S(C)(=O)=O 1335769212 YSCDLOBVDPJCKX-UHFFFAOYSA-N 275.330 -0.810 50 20 CBGD C[C@H]1CNc2c(C(=O)NN(C)C[C@@H](C)O)cnn2C1 1347173183 MKUDRISXPVTSJG-DTWKUNHWSA-N 267.333 -0.098 50 20 CBGD CCO/C=C(/C#N)C(=O)N(C)N1CCS(=O)(=O)CC1 1521964816 KMHCBAVXOAJYSR-KTKRTIGZSA-N 287.341 -0.466 50 20 CBGD C[C@H]1CNc2c(C(=O)NN(C)[C@@H](C)CO)cnn2C1 1548722953 AWTKXNOCKYSCIU-IUCAKERBSA-N 267.333 -0.098 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@H]1NCC1(C)C 1573977712 IIVVGZFXJISWKJ-SECBINFHSA-N 288.417 -0.142 50 20 CBGD CC1(C)CNC[C@@H]1C(=O)NNC(=O)N1CCOCC1 1576473037 MDFMFUDZWSLUJB-SECBINFHSA-N 270.333 -0.695 50 20 CBGD NCc1ncc(C(=O)NNC(=O)c2cn[nH]c2)s1 1580354721 CZDGBHNUCBHVFB-UHFFFAOYSA-N 266.286 -0.600 50 20 CBGD CC1(C)C[C@]1(C(=O)O)C(=O)NNC(=O)c1cnn[nH]1 1589219276 LOJGREPQSPZPEC-SNVBAGLBSA-N 267.245 -0.933 50 20 CBGD CC(C)CCOCCNC(=O)NNC(=O)C(=O)O 1591256466 LKAWOHXITQUNEC-UHFFFAOYSA-N 261.278 -0.536 50 20 CBGD COC(=O)NNC(=O)Nc1cc(C)c(-c2nn[nH]n2)cn1 1591274984 GWNFDOSWVZYGPT-UHFFFAOYSA-N 292.259 -0.037 50 20 CBGD O=C(Cc1cccc(-c2nn[nH]n2)c1)NNc1nc[nH]n1 1592921000 DWEVBJWPUOCQRH-UHFFFAOYSA-N 285.271 -0.329 50 20 CBGD O=C(O)CC1(C(=O)NNC(=O)[C@H]2COCCO2)CCC1 1594976478 SWJWJEPJGLYGTR-MRVPVSSYSA-N 286.284 -0.806 50 20 CBGD COC(=O)C(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1 1604899602 BYZNPRGAJQXVFZ-UHFFFAOYSA-N 274.240 -0.510 50 20 CBGD Cn1cc(C(=O)NN=Cc2ccc(C(=O)O)nc2)nn1 1776092290 HCGWMKDPAMJHKS-UHFFFAOYSA-N 274.240 -0.328 50 20 CBGD NC(=O)[C@@H](NNC(=O)c1cnccn1)c1ccccc1 26226138 UQHXGMCOEIUXKJ-NSHDSACASA-N 271.280 -0.062 50 20 CBGD CC(=O)N1CC(C(=O)NNc2cc(Cl)nc(N)n2)C1 187873737 ZEVPZNIDSYQHSF-UHFFFAOYSA-N 284.707 -0.366 50 20 CBGD CCN1C[C@H](C(=O)NNC(=O)C2CCC2)CC1=O 264750018 KXTJDKOKTVZUBB-SECBINFHSA-N 253.302 -0.198 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCCS1 266595423 UFBOMLDVGAPSAQ-ZETCQYMHSA-N 259.331 -0.446 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CCC[C@@H](C(=O)OC)C1 266887829 VIZXMGCDOOQJOE-JGVFFNPUSA-N 257.290 -0.074 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CCCCS1(=O)=O 273150030 HJYQYAROGIKCRT-JTQLQIEISA-N 299.352 -0.247 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCCO2)no1 294514264 DRJJLPYYYLYQQK-ZETCQYMHSA-N 283.240 -0.599 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CN2CCCC2=O)n1 299203507 ADLZOIFWEHXVPR-UHFFFAOYSA-N 276.296 -0.227 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2NC(=O)O[C@@H]2C)n1 496762648 FZVKEPXKYWZNJX-VXNVDRBHSA-N 278.268 -0.352 50 20 CBGD CCN(C(=O)c1cc(B(O)O)ccc1F)[C@@H](C)CO 584995163 QRNCUYVHLYVTMA-QMMMGPOBSA-N 269.081 -0.652 50 20 CBGD CN(C)[C@@H]1CC[C@H](NC(=O)c2cccc(B(O)O)c2)C1 585010983 VTUYFFAUNVCMEQ-QWHCGFSZSA-N 276.145 -0.421 50 20 CBGD CS(=O)(=O)C1(CNCc2ccc(B(O)O)cc2)CCC1 585038967 LGPAAMMKVTYMGI-UHFFFAOYSA-N 297.185 -0.577 50 20 CBGD CC(C)CCC(=O)NCC(=O)N1CC[C@@H](B(O)O)C1 585067305 SCAYGCURZJFSHO-SNVBAGLBSA-N 270.138 -0.386 50 20 CBGD C[C@@]1(CO)C[C@@H](O)CN1S(=O)(=O)CBr 698137298 YSNBSABCCZCJAH-RQJHMYQMSA-N 288.163 -0.514 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)N2CCOCC2)s1 726770800 HNEWYXXNBDABTD-UHFFFAOYSA-N 298.324 -0.466 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)C1=NNC(=O)C1 731865388 NZKJGAILXUQQJI-UHFFFAOYSA-N 260.253 -0.368 50 20 CBGD CNC(=O)NNS(=O)(=O)C[C@H]1CCCCO1 740811335 BTNBXQWJIRXWCT-SSDOTTSWSA-N 251.308 -0.681 50 20 CBGD O=C(NN=Cc1cccc(O)c1O)C(=O)NC1CC1 744824160 QRHVISQEOGKNNL-UHFFFAOYSA-N 263.253 -0.174 50 20 CBGD COc1cc(C)nc(NNC(=O)CCN2CCOCC2)n1 746632440 DGJKJWKDEBQFTI-UHFFFAOYSA-N 295.343 -0.041 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1ccccc1F 748056521 CSQKLDHSRKYCAQ-UHFFFAOYSA-N 261.278 -0.182 50 20 CBGD O=C(CO)NNC(=O)CCCc1ccc2c(c1)CC(=O)N2 753436807 CVHKFKBVNGNYCL-UHFFFAOYSA-N 291.307 -0.356 50 20 CBGD COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)CO)c1 753440159 XSGKJWIFIPZGRI-UHFFFAOYSA-N 269.213 -0.643 50 20 CBGD Cc1ccc(NC(=O)NNC(=O)CO)cc1C(N)=O 756327821 VBDFZHMPBLLOGX-UHFFFAOYSA-N 266.257 -0.761 50 20 CBGD CCNC(=O)NNC(=O)Cn1c(C)cc(O)cc1=O 759751648 ZIVXGYFPGSPQDH-UHFFFAOYSA-N 268.273 -0.787 50 20 CBGD O=C(CO)NNC(=O)c1cc([N+](=O)[O-])c2nsnc2c1 762815380 MDHIHLHFPNBOIC-UHFFFAOYSA-N 297.252 -0.647 50 20 CBGD CC(C)C(=O)NNC(=O)[C@@H]1CN2CCCN1CC2 763467533 XHNGMSZXHZXATA-JTQLQIEISA-N 254.334 -0.820 50 20 CBGD COCC(=O)OCC(=O)NNC(=O)Cc1ccccc1C 767256367 GVGBFGZPUOLBAA-UHFFFAOYSA-N 294.307 -0.125 50 20 CBGD COCC1=CCN(CC(=O)NNC(=O)C2CC2)CC1 775830209 ZTMXJEMOSSERJG-UHFFFAOYSA-N 267.329 -0.178 50 20 CBGD Cc1nccc(NC(=O)NNC(=O)CN(C)C)n1 776495189 ASADIIKGNRWJRT-UHFFFAOYSA-N 252.278 -0.501 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@](O)(CC)C1 778390532 BSZCRLNADGOHDE-CABZTGNLSA-N 257.334 -0.221 50 20 CBGD NC(=O)C1(C(=O)NNc2ncncc2Cl)CC1 781804293 GEWRGZPUKMWYLL-UHFFFAOYSA-N 255.665 -0.161 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1c(C)n[nH]c1C 782478297 MCNPFJYZIWNZDS-UHFFFAOYSA-N 275.334 -0.119 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CO[C@@H](C)C1 784144550 JDFSVNZBKIFLLH-YUMQZZPRSA-N 257.290 -0.917 50 20 CBGD CCNC(=O)NNC(=O)C1(S(C)(=O)=O)CCC1 793200829 DDPUMPFKWCPMOV-UHFFFAOYSA-N 263.319 -0.696 50 20 CBGD CCOC1(C(=O)NNC(=O)c2ncccn2)CCOCC1 804941026 MAZFYZYCGXFTOF-UHFFFAOYSA-N 294.311 -0.177 50 20 CBGD Cc1cnn([C@@H]2CCN(CC(=O)NNC(=O)C3CC3)C2)c1 810123273 HULXEUPGQXUDPJ-GFCCVEGCSA-N 291.355 -0.004 50 20 CBGD Cn1ncc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)n1 814755492 BBAFUQLLAXOXGV-UHFFFAOYSA-N 297.282 -0.445 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)n1 816827092 DULKIDPPEFPZBM-VHSXEESVSA-N 293.327 -0.841 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)CCOCC1CC1 818048262 IKJYWDAFWOFHNJ-UHFFFAOYSA-N 265.335 -0.481 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=O)NCc1ccco1 823793579 PAQVIZVNKHSYJX-SECBINFHSA-N 271.273 -0.229 50 20 CBGD CCN(CCO)NC(=O)c1c(C)nn(C)c1-n1cccn1 823873511 CBEAVGPTRWHKDK-UHFFFAOYSA-N 292.343 -0.127 50 20 CBGD CCCN1C[C@@H](C(=O)NN(CC)CCO)CC1=O 823893469 KDJMDRDKENIWBT-JTQLQIEISA-N 257.334 -0.410 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NNC(=O)C1CCC1 827298009 HKXPFBGZZAIDED-APPZFPTMSA-N 284.316 -0.427 50 20 CBGD CC(C)C(=O)NNC(=O)CN(C)C[C@H]1CCC[C@@H]1O 828491716 ACPQSCKSXKYRIC-MNOVXSKESA-N 271.361 -0.117 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 839746828 BUGPBNJRFAUKAR-VXNVDRBHSA-N 264.241 -0.184 50 20 CBGD COc1ccnc(NNC(=O)[C@H]2CCCS2(=O)=O)n1 847331973 LKDDEBHZKATCOO-SSDOTTSWSA-N 286.313 -0.495 50 20 CBGD O=C(CN1CSCC1=O)NNC(=O)c1cccc(F)n1 856422613 ZUNWMTBUZVHWJO-UHFFFAOYSA-N 298.299 -0.485 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCSCC2)N1 858694649 RXFIRRXOKYBFSN-SSDOTTSWSA-N 272.330 -0.945 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)C)C[C@H]1C[C@@H](O)C1 859969235 BVTRHIBEVRCFNZ-AOOOYVTPSA-N 271.361 -0.117 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCOC(=O)N1 862094794 FFVWMIDOWWYQLX-FXQIFTODSA-N 271.273 -0.943 50 20 CBGD C=CC(=O)N(C)CC(=O)NNC(=S)N[C@H](C)C1CC1 862150005 CTXCANWTHPPJRX-MRVPVSSYSA-N 284.385 -0.075 50 20 CBGD COC(=O)C[C@@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 863876364 WUAMCGGHZGLQAU-LBPRGKRZSA-N 291.112 -0.466 50 20 CBGD CCOC(=O)c1nn(C)cc1CN1CC[C@H](B(O)O)C1 864233571 KRUFPHCRDQWPTA-JTQLQIEISA-N 281.121 -0.355 50 20 CBGD CNc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1F 873837151 MISNTBYFPZGXRD-UHFFFAOYSA-N 294.286 -0.093 50 20 CBGD COCCS(=O)(=O)CC(=O)NNc1ccc(F)cn1 874651964 ZDUZGSKJZMXCPQ-UHFFFAOYSA-N 291.304 -0.275 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cccs2)N1 913517392 WNPIFSKBBOFVMP-ZCFIWIBFSA-N 253.283 -0.212 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H](C)N1CCN(C)CC1 1116046671 KTSXCYQGARNTAW-JTQLQIEISA-N 287.433 -0.474 50 20 CBGD CCC[C@@H](NCc1cccc(B(O)O)c1)C(=O)O 1120382448 JEJCBGHVASQRTC-LLVKDONJSA-N 251.091 -0.291 50 20 CBGD CN(CCO)CC(=O)NNC(=O)c1ccc(F)cc1 1319829905 HNNZJPQBALEGOZ-UHFFFAOYSA-N 269.276 -0.489 50 20 CBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccn(C)n1 1320520243 KOQXAJXTOYKVHC-ZETCQYMHSA-N 267.289 -0.448 50 20 CBGD COC(=O)c1nscc1S(=O)(=O)NNC(C)=O 1320700260 CDTJLAVQMKEENC-UHFFFAOYSA-N 279.299 -0.741 50 20 CBGD O=C(NNC(=O)[C@@]1(F)CCOC1)C(=O)Nc1ccccn1 1324048081 XFNKNIOBARMSKP-GFCCVEGCSA-N 296.258 -0.704 50 20 CBGD COc1nc(Cl)c(C=NNC(=O)C(=O)NC2CC2)n1C 1324925456 ZYWDEUJRNUCFBY-UHFFFAOYSA-N 299.718 -0.189 50 20 CBGD CCn1cc(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)nn1 1327897073 CMGCATQORRYPHS-SCZZXKLOSA-N 296.331 -0.447 50 20 CBGD Cc1nc(C(=O)N2CC[C@H](B(O)O)C2)ccc1C#N 1329672991 UNYNFIHUXUMECD-JTQLQIEISA-N 259.074 -0.049 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccc(CC#N)cc1 1330168994 SPTCOAHWABZGEV-UHFFFAOYSA-N 295.320 -0.442 50 20 CBGD C[C@H](CC(=O)NNC(=O)C(=O)NC1CC1)n1ccnc1 1346170578 AJRFLJAXCAYWTB-MRVPVSSYSA-N 279.300 -0.740 50 20 CBGD Cn1cnc(NC(=O)C(=O)NNc2ccccc2)n1 1347667729 YEZWKULBQMYGKM-UHFFFAOYSA-N 260.257 -0.103 50 20 CBGD CO[C@@H]1CC[C@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 1348110796 ONEYWCYJVUBURF-DJLDLDEBSA-N 284.316 -0.837 50 20 CBGD Cc1nnc(CC(=O)NNC(=O)NC2CC2)s1 1350604879 DSTLLEBWDJNPGP-UHFFFAOYSA-N 255.303 -0.118 50 20 CBGD C/C=C\[C@@H]1CNC[C@H]1C(=O)NNC(=O)[C@H]1CCCO1 1576925746 SXNRTFQOWMOHDD-ZMNMRNRSSA-N 267.329 -0.276 50 20 CBGD C[C@H](C(=O)O)C(=O)NNC(=O)Cc1cn2ccccc2n1 1588573643 HDBIVTVZAYMCQE-QMMMGPOBSA-N 290.279 -0.255 50 20 CBGD C[C@]1(C(=O)N[C@@H](CO)C(=O)O)C[C@H]1Br 1593755676 URLNDXUXKVHSOE-UUEMRFSQSA-N 266.091 -0.278 50 20 CBGD CN(NC(=O)COCC(=O)O)C(=O)OC(C)(C)C 1593766531 ROBPSDLZEQYFNH-UHFFFAOYSA-N 262.262 -0.014 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@H]21 1601552969 PNZXFMRJVNKNRW-IVZWLZJFSA-N 293.254 -0.121 50 20 CBGD CC(C[C@@H]1CCC(=O)N1)=NNC(=O)NCC(=O)O 1604133094 UOQISXKBSRPHPN-ZETCQYMHSA-N 256.262 -0.585 50 20 CBGD O=C(O)C1=NO[C@@H](C(=O)NNc2ncncc2Cl)C1 1605969688 FIIKOACMENKZMG-ZCFIWIBFSA-N 285.647 -0.197 50 20 CBGD Cc1cccnc1C(=O)NNS(=O)(=O)CCC(=O)O 1610533982 RXLGOYKQCPTESV-UHFFFAOYSA-N 287.297 -0.571 50 20 CBGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)NC1CC1 8393729 XJBUIPZJZCJCRE-UHFFFAOYSA-N 295.270 -0.370 50 20 CBGD CC(=O)NNC(=O)CNC(=O)c1ccc2c(c1)OCO2 46643204 ITJVZJOQXZHBHP-UHFFFAOYSA-N 279.252 -0.688 50 20 CBGD CCc1cccc(NC(=O)C(=O)NNC(=O)CN(C)C)c1 126480231 DGJBGGPUKNGZOP-UHFFFAOYSA-N 292.339 -0.104 50 20 CBGD CN(NC(=O)CNC(=O)c1cc2ccccc2[nH]1)C(N)=O 181094486 TUOSEUWHHCBZDM-UHFFFAOYSA-N 289.295 -0.061 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc2[nH]nnc2c1 186107434 WRMOSMIGLZKPFM-UHFFFAOYSA-N 285.267 -0.315 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1cnccn1 204348773 HAXLKOWNXBXILX-UHFFFAOYSA-N 295.299 -0.238 50 20 CBGD Cc1ccc(NCC(=O)NNC(=O)[C@@H]2COCCO2)cc1 264019310 NYZSRJVNMXOMJB-LBPRGKRZSA-N 293.323 -0.030 50 20 CBGD C#CCCCCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 273348418 AOQYMVQMIWLRBC-SECBINFHSA-N 289.357 -0.735 50 20 CBGD COc1cccc(NNC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)n1 281350607 WTLQKVFUDMRNEC-YUMQZZPRSA-N 280.284 -0.434 50 20 CBGD CO[C@H]1COC[C@@H]1NC(=O)NNC(=O)c1ccccc1O 291485443 OEZVEDPJXBDLJQ-ONGXEEELSA-N 295.295 -0.250 50 20 CBGD COCCN(C)NC(=O)c1cncc(-n2ccnn2)c1 294407619 NPJPIYREZMXPDZ-UHFFFAOYSA-N 276.300 -0.115 50 20 CBGD CC(C)[C@H](CCO)NC(=O)c1cccc(B(O)O)c1 584959125 XXMBOWWMAYILAW-LBPRGKRZSA-N 265.118 -0.497 50 20 CBGD O=C(NCC1(CCO)CC1)c1ccc(B(O)O)c(F)c1 584974497 PBDKIGFWSFOZSI-UHFFFAOYSA-N 281.092 -0.602 50 20 CBGD CC1(C)CN(C(=O)c2ccc(B(O)O)cc2)C[C@H]1O 584984244 WDIWRJDHWLPOHN-LLVKDONJSA-N 263.102 -0.791 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H](c2nc[nH]n2)C1 585000262 IQSGUVIKUIUHGH-JTQLQIEISA-N 286.100 -0.886 50 20 CBGD OB(O)c1ccc(CNC[C@@H](O)c2ccco2)o1 585018515 XHVMYOPYXTUOTR-SECBINFHSA-N 251.047 -0.624 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCN(C3CC3)C2)o1 585022699 WSXXNAKBFDBGCT-SECBINFHSA-N 250.107 -0.714 50 20 CBGD CC(C)C(=O)N1CC[C@H](NCc2cccc(B(O)O)c2)C1 585031041 OUCVTIYYUPSVSK-AWEZNQCLSA-N 290.172 -0.287 50 20 CBGD CCO[C@H]1C[C@@](CO)(NCc2ccc(B(O)O)o2)C1(C)C 585036540 ICNCFJMLJOYFES-FZMZJTMJSA-N 297.160 -0.385 50 20 CBGD CO[C@H](CS(=O)(=O)NCB(O)O)c1ccc(F)cc1 585057128 MNYKVZYEEKWWHQ-SNVBAGLBSA-N 291.109 -0.555 50 20 CBGD COCCNC(=O)c1ccc(N2CC[C@H](B(O)O)C2)nc1 585072906 GMPMPCLWEYZBPU-NSHDSACASA-N 293.132 -0.489 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 726540304 DNICKRHNULOPLE-ZETCQYMHSA-N 250.258 -0.935 50 20 CBGD CC(C)C[C@@H](NC(=O)O)C(=O)NNC(=O)Cc1cc[nH]n1 736415021 HGXCPWCYPFKDFP-SECBINFHSA-N 297.315 -0.218 50 20 CBGD CN1C(=O)C(=O)N(CC(=O)NNc2ccccc2)C1=O 747989313 RUXKUGYPBIZEJC-UHFFFAOYSA-N 276.252 -0.450 50 20 CBGD COC[C@@H](NC(=O)NNC(=O)C(=O)N1CCCC1)C1CC1 750447424 RLAJMBNUZPUMQE-SNVBAGLBSA-N 298.343 -0.636 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H](O)C1CCCCC1 768244821 NZFWVAAGTPYYSJ-SECBINFHSA-N 258.318 -0.154 50 20 CBGD O=C(CO)NNC(=O)CCc1cccc2c1OCO2 771739218 PKFGFOLFQJDZNX-UHFFFAOYSA-N 266.253 -0.512 50 20 CBGD Cc1ccc(CC(=O)NNC(=O)C(=O)NC2CC2)cc1O 772905969 HAFLRUHZQRGLJU-UHFFFAOYSA-N 291.307 -0.331 50 20 CBGD COC(=O)Cn1cccc1C=NNC(=O)CN(C)C 776180238 KKRSIRUBRDDHAQ-UHFFFAOYSA-N 266.301 -0.327 50 20 CBGD COc1ccc(NNC(=O)NCc2nnn(C)n2)nc1 787900327 QQROJXFVWMSXMZ-UHFFFAOYSA-N 278.276 -0.560 50 20 CBGD Cc1c(S(=O)(=O)NNC(=O)c2cccn2C)cnn1C 793352181 HZKUEEDIENEOPN-UHFFFAOYSA-N 297.340 -0.310 50 20 CBGD O=C(NCCF)NNC(=O)c1ccc(-n2cnnn2)cc1 798048559 GDGMDEUHSQCCIP-UHFFFAOYSA-N 293.262 -0.424 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CCC(=O)N1C 798305924 MAXHDKNXYSENDF-SSDOTTSWSA-N 256.331 -0.712 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCc2n[nH]cc2C1 823940265 VTNMGDMAMTYWPM-DTWKUNHWSA-N 252.318 -0.142 50 20 CBGD C[C@@]1(C(=O)NNC(=O)C(=O)N2CCCC2)CCCCO1 837377544 GFMROMPAZAHHIQ-ZDUSSCGKSA-N 283.328 -0.285 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ncn1 843662809 SUQBNNABJFBNPH-RKDXNWHRSA-N 264.285 -0.029 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCCN1C 843971372 CEQZNPLODNJIHA-AEJSXWLSSA-N 255.318 -0.347 50 20 CBGD CO[C@H](C=NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CC1 853285228 RRDPKFNBJCSHOO-VHSXEESVSA-N 274.342 -0.052 50 20 CBGD O=C(C[C@H]1CC(=O)N1)NNC(=O)c1cccc([N+](=O)[O-])c1 854122493 OHXIKXJJTKBLIY-MRVPVSSYSA-N 292.251 -0.366 50 20 CBGD N#CSCCCNC(=O)c1cnn(C[C@@H](O)CO)c1 854360431 XBXQHMNIQGNUSZ-SNVBAGLBSA-N 284.341 -0.430 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H](NS(C)(=O)=O)C(C)C 854923041 XYKXICDYPUQHKQ-SSDOTTSWSA-N 296.418 -0.973 50 20 CBGD CSCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858231132 NMHZRDHXSOEYFF-ZETCQYMHSA-N 274.346 -0.652 50 20 CBGD CC[C@H](COC)NC(=O)NNC(=O)c1cn[nH]c1 858240128 BLKJDZUCKVHMQX-MRVPVSSYSA-N 255.278 -0.221 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2CCC[C@@H]3C[C@H]23)N1 858538280 UYWYPAATSHGQHA-XFWSIPNHSA-N 280.328 -0.216 50 20 CBGD CC1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 858692000 OJVPKWSXRZLKFH-VIFPVBQESA-N 268.317 -0.262 50 20 CBGD CC(C)[C@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 858694952 CVUUMTXKRFZSCJ-NXEZZACHSA-N 298.343 -0.637 50 20 CBGD CC1(C)[C@H]2CN(C(=O)NNC(=O)[C@H]3CCC(=O)N3)C[C@H]21 858697900 VFZOJNVHWKYURN-HRDYMLBCSA-N 280.328 -0.406 50 20 CBGD C[C@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C[C@@H](C)N1C 858700474 MNQFTUMBWMBEEU-AEJSXWLSSA-N 297.359 -0.970 50 20 CBGD CCN(CCSC)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858702995 ROQNMRFVOXRUQQ-MRVPVSSYSA-N 288.373 -0.309 50 20 CBGD C[C@@H](NNC(=O)c1ccc(=O)n(C)n1)C(F)(F)F 862304065 HKZHJHNNNKAJLG-RXMQYKEDSA-N 264.207 -0.035 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2coc(C3CCC3)n2)N1 862458765 ISXDBIQRTAZJAL-QMMMGPOBSA-N 292.295 -0.018 50 20 CBGD O=C1CCCCC[C@@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 862462919 UJVWJEHMWJWPBP-MWLCHTKSSA-N 295.339 -0.048 50 20 CBGD CCC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cn[nH]c2)C1 862474535 OFTOKLJQIVACIG-VIFPVBQESA-N 293.327 -0.181 50 20 CBGD CS[C@H](C)CCC(=O)NNC(=O)CS(C)(=O)=O 863463998 CGAJLFVEWMTQEF-SSDOTTSWSA-N 282.387 -0.290 50 20 CBGD COC(=O)C1(NC(=O)c2cccc(B(O)O)c2)CCCC1 863871505 PRVJBHKPXDKDPT-UHFFFAOYSA-N 291.112 -0.418 50 20 CBGD C=CCNC(=S)NNC(=O)/C=C1\SCC(=O)N1C 873765055 GCXDDASMUYBPSD-UITAMQMPSA-N 286.382 -0.286 50 20 CBGD COC(=O)N(C)NC(=O)N[C@@H](C)CN1CCCC1=O 875127537 MAKFEDHYUBRIMS-QMMMGPOBSA-N 272.305 -0.090 50 20 CBGD NC(=O)C1(CNS(=O)(=O)CCCCl)CCOCC1 881785983 OIKHKSRMOBIGPN-UHFFFAOYSA-N 298.792 -0.183 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 910148541 UJHDZVHMMZIKMH-IAQYHMDHSA-N 291.351 -0.212 50 20 CBGD C[C@H](O)CN(C)NC(=O)C1(C(=O)NC2CC2)CCC1 910165863 PEOMVPYPLVQJHN-VIFPVBQESA-N 269.345 -0.221 50 20 CBGD C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)CN1CCCC1=O 913733071 UUVLYZKCFVBGGL-YGOYTEALSA-N 283.328 -0.430 50 20 CBGD COC(=O)c1cc(S(=O)(=O)NNC(C)=O)ccc1O 917717778 LHRVDGVDSSSRMN-UHFFFAOYSA-N 288.281 -0.492 50 20 CBGD O=C(CN1C[C@@H]2CCNC[C@@H]2C1)NNC(=O)C1CC1 923518200 BFWWWRNBLMTXHE-WDEREUQCSA-N 266.345 -0.915 50 20 CBGD N#C[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 928231150 FVMJOJWSKILUIX-JTQLQIEISA-N 258.086 -0.258 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1ccnn1C 1118173282 YCOLAMFCPGZDLJ-JGVFFNPUSA-N 288.329 -0.845 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(CO)o1 1319011691 DISMFQOPNYSMFO-ZETCQYMHSA-N 289.313 -0.840 50 20 CBGD C[C@@H](Sc1nncn1C)C(=O)NNC(=O)C(C)(C)O 1320760169 GKLVXQILQWPPMH-ZCFIWIBFSA-N 287.345 -0.786 50 20 CBGD CN(C)N(C(=O)[C@H]1CCC(=O)C1)[C@@H]1CCS(=O)(=O)C1 1326343040 NLOILOIQZCUMRT-VHSXEESVSA-N 288.369 -0.152 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(O)CCOCC1 1326662000 RIJRETONBDMWTB-RKDXNWHRSA-N 272.301 -0.900 50 20 CBGD CC(C)CS(=O)(=O)CCC(=O)NNc1cnnn1C 1329572518 CHCDHDJKFJQEKG-UHFFFAOYSA-N 289.361 -0.281 50 20 CBGD CC(C)n1nccc1C(=O)NNC(=O)CS(C)(=O)=O 1330168970 RVYIGPIUDXHGIA-UHFFFAOYSA-N 288.329 -0.730 50 20 CBGD COc1c(C(=O)NNC(=O)C2CCOCC2)c(C)nn1C 1333459868 GMTRSKBDGANWDP-UHFFFAOYSA-N 296.327 -0.075 50 20 CBGD C[S@@](=O)CCCNC(=O)NNC(=O)C1CCC1 1341915121 RTVKOKGPTBIZKO-QGZVFWFLSA-N 261.347 -0.115 50 20 CBGD COCCN(C)NC(=O)CCc1c(C)nc(O)nc1O 1346492550 RYAJWKJLISRLCQ-UHFFFAOYSA-N 284.316 -0.262 50 20 CBGD CC1=NO[C@@](C)(C(=O)NNC(=O)N2CCOCC2)C1 1346762984 JLLZKIVWAMQZMN-LLVKDONJSA-N 270.289 -0.386 50 20 CBGD CC(C)NC(=O)CCCC(=O)N1CC[C@H](B(O)O)C1 1351730335 WVEWBQZCBDTMNB-JTQLQIEISA-N 270.138 -0.243 50 20 CBGD CCC(C)(C)[C@H](O)C(=O)NNC(=O)[C@H]1CCCNC1 1576941780 JMYFOROCIFUVOS-VHSXEESVSA-N 271.361 -0.070 50 20 CBGD O=C(O)[C@H](C(=O)NNc1ncnc2[nH]cnc12)C1CC1 1594835378 GUMFWTCUSDRUOX-LURJTMIESA-N 276.256 -0.093 50 20 CBGD O=C(Cn1cc(C(=O)O)nn1)NNC(=O)[C@@H]1CCCS1 1601381723 DAXOVSOOUVZUDZ-ZETCQYMHSA-N 299.312 -0.981 50 20 CBGD O=C(NNC(=O)c1cccc(C(=O)O)n1)c1cn[nH]c1 1601554712 FZXLQQJLJGZBLS-UHFFFAOYSA-N 275.224 -0.422 50 20 CBGD O=C(O)C[C@H](NC(=O)c1cccc(B(O)O)c1)C1CC1 1601904936 HCQSQFKQUGKSOD-NSHDSACASA-N 277.085 -0.651 50 20 CBGD CN1CC[C@@H](C(=O)NNc2ncccc2C(=O)O)C1=O 1604203597 XGTFNDXIXMRAHX-QMMMGPOBSA-N 278.268 -0.299 50 20 CBGD CCC(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)o1 1609181677 ROKIRUYYRAMMPL-UHFFFAOYSA-N 286.273 -0.821 50 20 CBGD CCO[C@@H]1C[C@H]1C(=O)NN=Cc1cc(C(=O)O)nn1C 1776101884 BITOMOLAQQNAHO-PSASIEDQSA-N 280.284 -0.007 50 20 CBGD CNC(=O)NNC(=O)c1ccc(-n2ccnn2)cc1 89759137 DBEXMZWKFNQXTL-UHFFFAOYSA-N 260.257 -0.159 50 20 CBGD CCC(CC)N1C[C@H](C(=O)NNC(=O)CN(C)C)CC1=O 172160255 QNZZMEUMHQCSGA-SNVBAGLBSA-N 298.387 -0.268 50 20 CBGD CCN1CCC[C@@H]1CNC(=O)NNC(=O)c1cnn(C)c1 175393799 IISNOIIKLVGXES-LLVKDONJSA-N 294.359 -0.152 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)[C@@H]1COCCO1 264477030 HFGAOEYBUFRICH-NSHDSACASA-N 296.279 -0.666 50 20 CBGD COc1cc(C)nc(NNC(=O)CS(C)(=O)=O)n1 266883546 CTMWODHAVXERFQ-UHFFFAOYSA-N 274.302 -0.719 50 20 CBGD CN(NC(=O)Cn1ncn(C)c1=O)c1ccccc1 272689544 PBFUSMNWGQQCQI-UHFFFAOYSA-N 261.285 -0.251 50 20 CBGD COc1ccnc(NNC(=O)N[C@H]2COC[C@@H]2OC)n1 291527037 SFKBZHBPDHWFBY-YUMQZZPRSA-N 283.288 -0.475 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)Cn1cnnn1 299165111 QYDFBBYCMMLLEX-UHFFFAOYSA-N 290.283 -0.928 50 20 CBGD C[C@H]1CCN(C)CCN1C(=O)c1cc(B(O)O)ccc1F 584945659 JOJTWHQOKPDXQG-JTQLQIEISA-N 294.135 -0.328 50 20 CBGD CSCCCNC(=O)c1ccc(B(O)O)c(F)c1 584947933 GETNOQYDSWXHKZ-UHFFFAOYSA-N 271.122 -0.012 50 20 CBGD CO[C@H](C)CNC(=O)c1ccc(B(O)O)c(F)c1 584979534 WTZKBYSEXILODO-SSDOTTSWSA-N 255.054 -0.730 50 20 CBGD O=C(N[C@H]1C[C@@H]1C(F)F)c1cc(B(O)O)ccc1F 584989273 BEFUQNNRIKCIMQ-CBAPKCEASA-N 273.019 -0.111 50 20 CBGD C[C@H]1CCC[C@]1(O)CNC(=O)c1cccc(B(O)O)c1 584994654 MOJMTHGUZPMOIP-HZMBPMFUSA-N 277.129 -0.353 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCO[C@H](CF)C1 585002499 XETJVVHCAHDBAM-SECBINFHSA-N 285.055 -0.684 50 20 CBGD Cc1noc([C@H](C)N(C)C(=O)c2cccc(B(O)O)c2)n1 585005144 ZBHBRRLFRFSDQA-QMMMGPOBSA-N 289.100 -0.109 50 20 CBGD O=C(NCC1CC(O)C1)c1ccc(B(O)O)c(F)c1 585011170 DKQYLJVQHSYMSZ-UHFFFAOYSA-N 267.065 -0.994 50 20 CBGD C[C@H](O)C[C@@H](C)CNCc1ccc(B(O)O)cc1 585025261 PSFPZSOFOWYTNM-MNOVXSKESA-N 251.135 -0.137 50 20 CBGD CCC[C@H](C)C(=O)NCCNCc1ccc(B(O)O)o1 585042372 BLFHFMYAFGYDKY-JTQLQIEISA-N 282.149 -0.399 50 20 CBGD OB(O)c1ccc(CNC[C@H](O)C2CCC2)c(F)c1 585044566 MWENSYGRBXFYFB-ZDUSSCGKSA-N 267.109 -0.244 50 20 CBGD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCB(O)O)c1 585059366 KVFUNOKGIIBKEE-UHFFFAOYSA-N 288.090 -0.498 50 20 CBGD O=S(=O)(CBr)N[C@@H]1CCOC[C@H]1O 706727289 LZFYNHJSQDWIBJ-PHDIDXHHSA-N 274.136 -0.592 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@H](C)Cn1cccn1 732201954 RREZGZAZPQCBGO-NXEZZACHSA-N 267.333 -0.193 50 20 CBGD CCn1cc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cn1 732528464 KUAFUVPGSRNQET-SNVBAGLBSA-N 299.356 -0.277 50 20 CBGD CC(C)(C)CN(CCO)CC(=O)NNC(=O)C1CC1 733199126 QSAOHIREPXMJIA-UHFFFAOYSA-N 271.361 -0.116 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1[C@H]2CC[C@H]1CC(=O)NC2 748826541 VKFGEHRTZMGSTL-GUBZILKMSA-N 282.344 -0.715 50 20 CBGD CCC[C@H](O)CC(=O)NNC(=O)N1CCOCC1 750263454 SXXFXLAKEZRPGS-VIFPVBQESA-N 259.306 -0.390 50 20 CBGD CC[C@H](C)OCC(=O)NNC(=O)N1CCOCC1 751774161 YSMPCJHTNFBJMM-VIFPVBQESA-N 259.306 -0.126 50 20 CBGD CC(=O)NNC(=O)Nc1ccn(CCN(C)C)n1 753935108 AWRGNQXMMFABSW-UHFFFAOYSA-N 254.294 -0.383 50 20 CBGD CCC1(C(=O)NNC(=O)Cc2cc[nH]n2)COC1 755267774 BGBYIPIONBHRPJ-UHFFFAOYSA-N 252.274 -0.474 50 20 CBGD COc1nc(Cl)c(C=NNC(=O)C(N)=O)s1 755491396 NFUSNJVMSMUXIA-UHFFFAOYSA-N 262.678 -0.260 50 20 CBGD O=C(CO)NNC(=O)Nc1cnn(CC(F)F)c1 756708704 HDIQOJBXWMVICM-UHFFFAOYSA-N 263.204 -0.707 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(F)c1 764303907 SMMXENMEZXNKDR-UHFFFAOYSA-N 269.232 -0.442 50 20 CBGD Cc1nn2cccnc2c1C(=O)NNC(=O)C(C)(C)O 768254624 AUHNVYTXVHNZOH-UHFFFAOYSA-N 277.284 -0.430 50 20 CBGD CC[C@@H](C)C(=O)NN=Cc1cn(CC(=O)O)nn1 768484826 XNKHCMLIVLCICM-SSDOTTSWSA-N 253.262 -0.141 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C\c1cnn(C)c1 771950589 ZJXISDMDJYRLSN-SSJHQANKSA-N 294.311 -0.078 50 20 CBGD NC(=O)c1cccc(C(=O)NNC(=O)CC(F)(F)F)n1 782114429 KTCQLKWUEAXBFE-UHFFFAOYSA-N 290.201 -0.106 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@@](F)(CO)C1 802013500 DIYPKTGUUNPJDG-MFKMUULPSA-N 289.351 -0.025 50 20 CBGD Cn1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)n1 802024517 QHJLTZRXHCLBCZ-UHFFFAOYSA-N 260.257 -0.297 50 20 CBGD C=C[C@H](O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 816814343 OGUXINKCCJEODZ-KWQFWETISA-N 278.264 -0.479 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNc1ncncc1F 817079873 NHYGIZSADKKEIH-ZCFIWIBFSA-N 255.253 -0.027 50 20 CBGD CN(CCC(=O)O)CC(=O)NNC(=O)C(C)(C)C 818463073 SOWFHZCGJMDICB-UHFFFAOYSA-N 259.306 -0.414 50 20 CBGD CCO/C=C(\C#N)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)O 820377841 LHFNTVSKWSNLOI-OHMLCJAVSA-N 297.311 -0.132 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCCCS1(=O)=O 823934244 DZZSJSDOOQJZBM-DTWKUNHWSA-N 264.347 -0.703 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CSc1nnnn1C1CC1 823976410 CMIFWJUQGOAYFL-ZETCQYMHSA-N 286.361 -0.556 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccc2c(c1)OCC(=O)N2 823986941 CMAWOKHEALOZJZ-MRVPVSSYSA-N 279.296 -0.025 50 20 CBGD CC(=NNC(=O)C(C)C)c1cn(CC(=O)O)nn1 825798481 LINWIIQWSZSHQJ-UHFFFAOYSA-N 253.262 -0.141 50 20 CBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)c1cccn1C 827303584 HCLOZDTUPHPLKI-ZETCQYMHSA-N 253.258 -0.103 50 20 CBGD O=C(NNc1cccnn1)NC1CN(C(=O)O)C1 831742867 SZUUFGKCXMXRSH-UHFFFAOYSA-N 252.234 -0.535 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CN1CSCC1=O 843643011 BWGZXKNFZNNRSY-JGVFFNPUSA-N 287.341 -0.908 50 20 CBGD Cc1nc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)[nH]c1C 853303506 UXAQAHVEMUFWCU-MRVPVSSYSA-N 287.345 -0.586 50 20 CBGD O=CN1CCC[C@H]1C(=O)NNC(=O)OCC(F)(F)F 856027306 HCUUJPXLZDIEST-LURJTMIESA-N 283.206 -0.073 50 20 CBGD CC[C@](C)(CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)OC 858514300 PONLZCNIUJEDOC-QPUJVOFHSA-N 286.332 -0.590 50 20 CBGD Cc1ccc(C(=O)NNC(=O)NC[C@@H]2COCCN2)o1 861683412 NLXSSWOASGMBNS-SECBINFHSA-N 282.300 -0.480 50 20 CBGD O=C(NNC(=O)c1cc2n(n1)CCC2)c1cn[nH]c1 862470072 YZQAPXBQLBLFRB-UHFFFAOYSA-N 260.257 -0.373 50 20 CBGD CC(C(=O)NNC(=O)CS(C)(=O)=O)=C1CCC1 863465313 BEMNTDNLROIESR-UHFFFAOYSA-N 260.315 -0.321 50 20 CBGD Cc1n[nH]cc1CN(C)CC(=O)NNC(=O)C1CC1 879188664 PQCKGRQJYKCZJH-UHFFFAOYSA-N 265.317 -0.293 50 20 CBGD COc1cccc(OC)c1C=NNC(=O)C(N)=O 916660914 JKBQFZBDHUTYIQ-UHFFFAOYSA-N 251.242 -0.361 50 20 CBGD Cc1nnc(NNC(=O)CCn2ccccc2=O)nc1O 1115852832 PXFUQXRGWJZMJS-UHFFFAOYSA-N 290.283 -0.419 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1csc(C=O)c1 1116236722 HOKPUALXEAYKMT-UHFFFAOYSA-N 283.309 -0.154 50 20 CBGD C[C@@H](NC(=O)NNc1ncccn1)c1ncn(C)n1 1116686597 NFVHUWGNKQEWMI-SSDOTTSWSA-N 262.277 -0.008 50 20 CBGD Cn1nncc1C(=O)NNC(=O)Cc1ccncc1 1256541876 GQVDEVILLHEZKU-UHFFFAOYSA-N 260.257 -0.786 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C1(c2cccnc2)CC1 1261835495 XTSMGERIFKWSLX-UHFFFAOYSA-N 297.336 -0.695 50 20 CBGD COCCn1cnnc1SCC(=O)NNC(=O)C1CC1 1318851127 RDFAGVCBEGQDEC-UHFFFAOYSA-N 299.356 -0.426 50 20 CBGD COCC(=O)NCCC(=O)NNc1ncc(F)cn1 1319553905 ZPFDYXQCCRNQRO-UHFFFAOYSA-N 271.252 -0.789 50 20 CBGD COC(=O)Nc1ccc(NC(=O)C(=O)NNC(C)=O)cc1 1320224925 ZKNMWCPUAYFGLD-UHFFFAOYSA-N 294.267 -0.029 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCNC1=O)C1CCOCC1 1332363846 ICRZOQDYDRQNSO-SECBINFHSA-N 269.301 -0.913 50 20 CBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)C(C)(C)C 1520792827 CRXHCJYUCACZHA-VHSXEESVSA-N 268.361 -0.432 50 20 CBGD CNS(=O)(=O)c1ccc(C)c(C(=O)N(C)N)c1 1573910983 XHINZEKMYWIYAW-UHFFFAOYSA-N 257.315 -0.151 50 20 CBGD N#Cc1ccc(CC(=O)NNC(=O)[C@@H]2CCN2)cc1 1580065972 AEGKTWXBQCGIRS-NSHDSACASA-N 258.281 -0.390 50 20 CBGD CC(C)(C)NS(=O)(=O)C1(C=NNC(=O)C(=O)O)CC1 1589834900 PCRNGCQLEMYWIZ-UHFFFAOYSA-N 291.329 -0.577 50 20 CBGD CNC(=O)NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2 1598651386 WNQRZQKJZYIMIK-MAUMQABQSA-N 267.285 -0.140 50 20 CBGD C[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H](C(=O)O)C1 1604749627 UOCDZZBOTKJSQJ-BXKDBHETSA-N 291.112 -0.308 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc2nc(O)oc2c1 48961983 QQMHKKKKUPFVHL-UHFFFAOYSA-N 286.269 -0.344 50 20 CBGD COCCCNC(=O)NNC(=O)/C=C/c1cnn(C)c1 49198016 NVYVSZQYLFKRCS-SNAWJCMRSA-N 281.316 -0.200 50 20 CBGD C[C@H](CN1CCOCC1)NS(=O)(=O)CCl 82512711 VDCXZPUKJWUEEK-MRVPVSSYSA-N 256.755 -0.177 50 20 CBGD O=C(CN1CC[C@@H](CO)C1)NNC(=O)c1ccc(F)cc1 156194940 GKNSENUGZXCTNY-SNVBAGLBSA-N 295.314 -0.099 50 20 CBGD O=C(NNc1ncccn1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 177649656 GJIHHFOZEYDNOL-MRVPVSSYSA-N 287.283 -0.304 50 20 CBGD CN1CC[C@H](NS(=O)(=O)CCCCl)C1=O 230278499 BAHGOAIZFHCSRB-ZETCQYMHSA-N 254.739 -0.235 50 20 CBGD CS[C@@H](C)CC(=O)NNC(=O)C(=O)NC1CC1 270146457 QHLMWNFISOKHCG-LURJTMIESA-N 259.331 -0.446 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)COc1ccc(F)cc1 270549674 ZVTJXTBYMOESNV-UHFFFAOYSA-N 298.274 -0.719 50 20 CBGD COc1ccc(NNC(=O)CN2C(=O)CN(C)C2=O)nc1 275551485 MADUNCRJTKJFLY-UHFFFAOYSA-N 293.283 -0.573 50 20 CBGD COc1cc(NC(=O)NNC(=O)CN(C)C)ccn1 287815307 VDWNJHYUIKNDEU-UHFFFAOYSA-N 267.289 -0.196 50 20 CBGD C#CCN(C)CCCNC(=O)NNC(=O)COCC 491801829 DWUNEVMRFREDSX-UHFFFAOYSA-N 270.333 -0.692 50 20 CBGD O=C(N[C@@H]1CCC[C@H](O)C1)c1ccc(B(O)O)c(F)c1 584929897 FADKOTXGTLEXEZ-ZJUUUORDSA-N 281.092 -0.461 50 20 CBGD CN1CC[C@H](CNC(=O)c2cc(B(O)O)ccc2F)C1 584934260 QQOSDPWJZJHWTN-SECBINFHSA-N 280.108 -0.813 50 20 CBGD C[C@H](O)C[C@H](C)CNC(=O)c1ccc(B(O)O)c(F)c1 584952784 YSCZGFDULBQJCK-IUCAKERBSA-N 283.108 -0.358 50 20 CBGD C[C@@H](CO[C@H]1CCOC1)NC(=O)c1cccc(B(O)O)c1 584958006 NTIGIDNRYPVOOO-GWCFXTLKSA-N 293.128 -0.710 50 20 CBGD CN(C[C@H]1CCC[C@@H]1O)C(=O)c1ccc(B(O)O)c(F)c1 584966624 GOBIHPFYCUIOQV-MFKMUULPSA-N 295.119 -0.262 50 20 CBGD C[C@]1(CO)CCCN1C(=O)c1ccc(B(O)O)c(F)c1 584976344 QTAPAEPOCHGFRI-CYBMUJFWSA-N 281.092 -0.508 50 20 CBGD CO[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C[C@H]1C 584999444 UZYQBJOKPQKPAG-ZWNOBZJWSA-N 277.129 -0.137 50 20 CBGD CN(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(B(O)O)c1 585001510 YADAKAXYWPZRMD-UONOGXRCSA-N 290.172 -0.031 50 20 CBGD C[C@@H](CNCc1ccc(B(O)O)cc1F)N1CCOCC1 585015163 QQFCIUXGYUKWQH-NSHDSACASA-N 296.151 -0.684 50 20 CBGD COCCN1CC[C@@H](CNCc2ccc(B(O)O)cc2)C1 585020677 FWOPPHWTLUWJCK-AWEZNQCLSA-N 292.188 -0.576 50 20 CBGD COCCN1CC[C@@H](NCc2ccccc2B(O)O)C1 585028561 LATNVVVJVWDUPE-CYBMUJFWSA-N 278.161 -0.823 50 20 CBGD C[C@H](CNCc1ccc(B(O)O)cc1F)[S@@](C)=O 585034434 KXMSRBQPURWIRV-NTCNTBNZSA-N 273.138 -0.638 50 20 CBGD CCc1nc([C@H](C)NCc2ccccc2B(O)O)n[nH]1 585034451 LDKPJEQXEMIZGP-VIFPVBQESA-N 274.133 -0.102 50 20 CBGD CCc1nn(C)cc1CNCc1ccc(B(O)O)o1 585035327 SICQVNCULISJIZ-UHFFFAOYSA-N 263.106 -0.455 50 20 CBGD OB(O)c1ccccc1CNCCOC(F)(F)F 585037930 NXYISVVEMCCKRY-UHFFFAOYSA-N 263.024 -0.008 50 20 CBGD Cn1ccc(S(=O)(=O)NNC(=O)C2CCCC2)n1 727354469 HVRNUNZBURXCFI-UHFFFAOYSA-N 272.330 -0.080 50 20 CBGD CCC(=O)NNS(=O)(=O)c1ccc(-n2cnnn2)cc1 747410166 QIFBHYZNXOORLI-UHFFFAOYSA-N 296.312 -0.618 50 20 CBGD CC(=O)NNC(=O)c1cnc2c(c1)NC(=O)CO2 771290746 JBSQTYBLNNZZTN-UHFFFAOYSA-N 250.214 -0.807 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)C2(O)CCOCC2)cc1 772596539 OGOSNDPILYULHM-UHFFFAOYSA-N 289.291 -0.139 50 20 CBGD CN1CCN(CC(=O)NNc2ccnc(F)c2)CC1 781359118 BZCMZPAGVIXDTO-UHFFFAOYSA-N 267.308 -0.089 50 20 CBGD C[C@H]1C(=O)CC[C@H](C(=O)NNC(=O)CO)C1(C)C 781967211 AINFTFFKEMJMLM-JGVFFNPUSA-N 256.302 -0.233 50 20 CBGD Cn1cc(NC(=O)NNC(=O)CO)c(C(F)(F)F)n1 782811639 BSYNAEAWYPDLLJ-UHFFFAOYSA-N 281.194 -0.416 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CCN(CC(F)(F)F)C1 792083102 HIIGFTVLLSTGLS-LURJTMIESA-N 268.239 -0.169 50 20 CBGD CN(NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C1CC1 819648347 AKDDOAMZSHLLRI-MRVPVSSYSA-N 263.301 -0.112 50 20 CBGD C=CCCNC(=O)NNC(=O)[C@H](C)OCCOC 820765238 LMAPJOAWQPIKIS-VIFPVBQESA-N 259.306 -0.056 50 20 CBGD NC(=O)CC(=O)NNc1ccc(-c2nn[nH]n2)cc1 826391051 VJASWWPLWYNQNK-UHFFFAOYSA-N 261.245 -0.815 50 20 CBGD CS(=O)(=O)N1CC(C(=O)NNC(=O)C2CCCC2)C1 827768279 RDMQWRCJVFIYRP-UHFFFAOYSA-N 289.357 -0.785 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(/C=C/C(=O)O)cc1 831001087 UXJDNMJXRNJVIT-QPJJXVBHSA-N 299.308 -0.093 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)N1CC[C@@H](C)C1 842592517 MIXYNXWJQHNYCJ-KXUCPTDWSA-N 291.373 -0.381 50 20 CBGD CCONC(=O)CNC(=O)NNC(=O)OC(C)(C)C 845552413 FTEZFFQTARKFBV-UHFFFAOYSA-N 276.293 -0.207 50 20 CBGD O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1CC(=O)N1 854238376 XIISEVHLOHFVOF-VIFPVBQESA-N 281.699 -0.082 50 20 CBGD CNC(=S)N(C)NC(=O)C1CCN(C(=O)OC)CC1 854928528 CRBGLRQYVJOWEC-UHFFFAOYSA-N 288.373 -0.068 50 20 CBGD Cn1nncc1NNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]21 857269672 DROXKWGLQMLXOJ-BBBLOLIVSA-N 292.343 -0.047 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1CCOC(=O)N1 862003884 OOACUYBMTVXPOH-LURJTMIESA-N 267.245 -0.573 50 20 CBGD COCCOCC(C)=NNC(=O)CS(C)(=O)=O 863189672 RLSCAZNRFHXTCK-UHFFFAOYSA-N 266.319 -0.814 50 20 CBGD CCN(CCC(=O)OC)C(=O)c1ccc(B(O)O)cc1 863871356 KGSCWTFNFYGMTA-UHFFFAOYSA-N 279.101 -0.608 50 20 CBGD CCOC(=O)[C@H]1CCCN1Cc1cccc(B(O)O)c1 863891338 MYPWREOAGYAGLY-CYBMUJFWSA-N 277.129 -0.106 50 20 CBGD COC/C=C\C(=O)NNC(=O)Cc1cc(C)[nH]n1 869011927 ZONMBXYJKBAEIF-ARJAWSKDSA-N 252.274 -0.389 50 20 CBGD CCC(=O)NNS(=O)(=O)c1cn(C)nc1CC 882663569 RHLPKSYMZBJGHM-UHFFFAOYSA-N 260.319 -0.298 50 20 CBGD CO[C@]1(C(=O)NNC(=O)c2ncccn2)CCSC1 891843490 MAIVQDQTUMMVAG-LLVKDONJSA-N 282.325 -0.240 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cnn2c1OCCC2 910145974 AENYBSQAZWWLHO-QMMMGPOBSA-N 254.290 -0.377 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cncc(N2CCOCC2)c1 910159704 BHSWIEYNSHTKII-NSHDSACASA-N 294.355 -0.124 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CCN1CCOCC1 917361658 LJBMZWOQUFNZBD-UHFFFAOYSA-N 280.328 -0.492 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCOCC1 921059121 REFZONNYYGOGPW-JTQLQIEISA-N 257.334 -0.099 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](C)c1cnn(C)c1C 1116187304 NWCKDFSKUQQFCB-ZCFIWIBFSA-N 283.288 -0.707 50 20 CBGD CC(C)(F)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1116442238 MZLRZYUMJDGKGH-LURJTMIESA-N 281.309 -0.748 50 20 CBGD NC(=O)N1CCC[C@H](C(=O)NNC(=O)CC2CC2)C1 1117772888 MVGLKKAPVKVKQS-VIFPVBQESA-N 268.317 -0.275 50 20 CBGD CO[C@@H]1CCCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1118864786 UCQYDDHMTKTICT-SECBINFHSA-N 267.289 -0.125 50 20 CBGD Cc1nc(C(=O)NN)nn1-c1n[nH]c(C(F)(F)F)n1 1261494714 ARNVLDTWAKSFJY-UHFFFAOYSA-N 276.182 -0.684 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)CC[C@@H]1NC(=O)NC1=O 1317704860 NFICAJYYYLAUBM-LURJTMIESA-N 286.288 -0.470 50 20 CBGD Cc1nnc2n1C[C@H](C(=O)NNC(=O)C(C)C)CC2 1320040469 VGWKNWMAPHVZPL-SECBINFHSA-N 265.317 -0.048 50 20 CBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cnn(C)c1 1320357969 WEEYHGXJCLEDNG-ZETCQYMHSA-N 267.289 -0.448 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cnnn1C 1326015094 BUUUKLUOGUHLFC-CBAPKCEASA-N 282.304 -0.930 50 20 CBGD O=C(NNC(=O)[C@H]1CCCS1(=O)=O)C1CCC1 1327619769 USRXELCDWNKSON-MRVPVSSYSA-N 260.315 -0.489 50 20 CBGD CO[C@H]1COCC[C@H]1CNC(=O)NNC(=O)c1cn[nH]c1 1334932606 DCDSEYQMXUQRBA-WPRPVWTQSA-N 297.315 -0.595 50 20 CBGD Cc1cc(NC(=O)C(=O)NNC(=O)CC2CC2)n(C)n1 1342602603 ZDNPXESLVUZFNT-UHFFFAOYSA-N 279.300 -0.385 50 20 CBGD CNC(=O)CCCCC(=O)NNC(=O)N=c1cc[nH]cc1 1344704398 CLBRYAHORJJOFA-UHFFFAOYSA-N 293.327 -0.037 50 20 CBGD COc1cc(F)ccc1NNC(=O)CN1C(=O)CNC1=O 1346304563 BPLMVOGOBFAMJX-UHFFFAOYSA-N 296.258 -0.171 50 20 CBGD CCOC(=O)NNC(=O)c1cc(C)c(-c2nn[nH]n2)cn1 1578247467 LQNTYJOKZFCPBX-UHFFFAOYSA-N 291.271 -0.039 50 20 CBGD CS(=O)(=O)c1ccc(NNC(=O)C[C@@H](O)CN)cc1 1579351501 MPIQHSWZMQVYCL-SECBINFHSA-N 287.341 -0.757 50 20 CBGD C[C@@H](O)[C@H](N)C(=O)NNc1nc2ccncc2s1 1579420219 UPJRYCLVTASKJM-XRGYYRRGSA-N 267.314 -0.158 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCSCCCN 1579839342 JYHQLWCXRFCJFF-UHFFFAOYSA-N 285.373 -0.049 50 20 CBGD N[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CCCCCC1 1580115137 MTUPBYPQIRSMHK-PWSUYJOCSA-N 296.371 -0.290 50 20 CBGD N[C@H]1CCC[C@H](NC(=O)c2cc(B(O)O)ccc2F)C1 1580175498 GEBCVLPSXQULRJ-UWVGGRQHSA-N 280.108 -0.495 50 20 CBGD N[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 1580177765 VSZUTHIFFGSCSQ-VHSXEESVSA-N 282.344 -0.726 50 20 CBGD COC(=O)[C@@H](NNC(=O)C(=O)O)c1ccccc1F 1598708246 BUQUUUKEOQSBJG-QMMMGPOBSA-N 270.216 -0.255 50 20 CBGD CC(=NNC(=O)C(=O)O)c1ccc2c(c1)NC(=O)CO2 1602987360 MNTLKGUVLJWGJJ-UHFFFAOYSA-N 277.236 -0.058 50 20 CBGD C[C@H](Cc1cccc(O)c1)NC(=O)NNC(=O)C(=O)O 1604235735 HTPYLIPFAYZIFB-SSDOTTSWSA-N 281.268 -0.262 50 20 CBGD O=C(NNC(=O)C1CC1)c1cc(-c2nn[nH]n2)ccn1 1606849665 TVUNNEHNJDQXSN-UHFFFAOYSA-N 273.256 -0.567 50 20 CBGD CN(C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)n1 1609265154 XSOVMMUSGVLHRX-UHFFFAOYSA-N 276.260 -0.822 50 20 CBGD O=C(Cn1ccc([N+](=O)[O-])n1)NNc1ncccn1 48696286 IJNRIPAABWZRIN-UHFFFAOYSA-N 263.217 -0.275 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1ccncc1F 120524034 YJGWDPJDALLDED-UHFFFAOYSA-N 255.253 -0.065 50 20 CBGD O=C(COc1ccccc1O)NNS(=O)(=O)C1CC1 266182253 PHPBLDWSRUUBPY-UHFFFAOYSA-N 286.309 -0.116 50 20 CBGD CC(C)CCC(=O)NNC(=O)[C@@H]1CC[C@@H](C(N)=O)O1 280420779 ZCFSFDVODQUOOK-IUCAKERBSA-N 271.317 -0.397 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cc([N+](=O)[O-])[nH]n1 285287908 SREMRUQGPGJVDX-UHFFFAOYSA-N 284.232 -0.996 50 20 CBGD CC[C@H](C(=O)NNc1nnc[nH]1)N1CCCC1=O 293776819 BNSAVQHZEHFIEV-SSDOTTSWSA-N 252.278 -0.351 50 20 CBGD CCCCOCCNC(=O)NNC(=O)C(=O)NC1CC1 299335033 JVQUYJXGCRAKJW-UHFFFAOYSA-N 286.332 -0.588 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNC(=O)c1cccn1C 361088915 XAAFIRFJMNEVJB-NSHDSACASA-N 280.328 -0.493 50 20 CBGD N#C/C(=C\c1cn(CC(=O)O)nn1)C(=O)N=c1cc[nH]cc1 490814290 UJHDXNCOTLIDBU-WEVVVXLNSA-N 298.262 -0.275 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCSC1 584930581 MVESQKZUKQEKJX-UHFFFAOYSA-N 255.079 -0.348 50 20 CBGD Cc1nn(C)c(C)c1CNC(=O)c1ccc(B(O)O)cc1 584953268 ANKRZJZXBZHQOD-UHFFFAOYSA-N 287.128 -0.353 50 20 CBGD C[C@@H]1CN(C)C[C@H]1NC(=O)c1ccc(B(O)O)cc1 584958221 MZUQDXSNYUQYQB-BXKDBHETSA-N 262.118 -0.954 50 20 CBGD C[C@@H](CCn1cncn1)NC(=O)c1cccc(B(O)O)c1 584960209 JZQGCWZEIVRLKE-JTQLQIEISA-N 288.116 -0.834 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@H]2[C@H](O)CC[C@H]2C1 584972834 HVINRNDCDUGUGU-CYZMBNFOSA-N 275.113 -0.791 50 20 CBGD C[C@@H]1OCC[C@@]1(C)NC(=O)c1ccc(B(O)O)cc1 584974318 UFPBYYDKKIZZDI-TVQRCGJNSA-N 263.102 -0.336 50 20 CBGD C[C@H](CC(C)(C)O)NC(=O)c1cc(B(O)O)ccc1F 584995340 MXZPPAOPOXEKCR-MRVPVSSYSA-N 283.108 -0.215 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1N[C@H]2CC[C@H]1C2 585010123 KDUYAQKZVXIQEL-IUCAKERBSA-N 264.065 -0.613 50 20 CBGD CC[C@H](CCNCc1ccc(B(O)O)o1)N1CCCC1=O 585022246 LEXUCGUDQIZXAX-LLVKDONJSA-N 294.160 -0.160 50 20 CBGD C[C@H](CN1CCOC[C@H]1C)NCc1cccc(B(O)O)c1 585022387 YJKGMHHAMVEJIA-CHWSQXEVSA-N 292.188 -0.435 50 20 CBGD CCS(=O)(=O)C[C@H](C)NCc1cccc(B(O)O)c1 585023229 FDBCTOWGOPLTLF-JTQLQIEISA-N 285.174 -0.721 50 20 CBGD OC[C@@H](CC1CCCC1)NCc1ccc(B(O)O)o1 585032425 UNSQDZXNTDVFBQ-LLVKDONJSA-N 267.134 -0.010 50 20 CBGD OCC[C@H](NCc1ccc(B(O)O)o1)c1ccco1 585036646 NOFQNNYSUQNUHL-JTQLQIEISA-N 265.074 -0.234 50 20 CBGD CN1CC[C@H](c2nc(-c3ccc(B(O)O)cc3)no2)C1 585050834 MRDHIOJOESIWHZ-JTQLQIEISA-N 273.101 -0.165 50 20 CBGD CCC(=O)N[C@@H](C(=O)NCB(O)O)c1ccccc1 585059613 UXCWKONCLAKGBC-LLVKDONJSA-N 264.090 -0.618 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCN1CCCC1=O 731879383 PEIZWYLDZNISOM-UHFFFAOYSA-N 279.300 -0.508 50 20 CBGD CCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)[C@H]1CCOC1 741841868 GNAXECNHFCCDEA-BDAKNGLRSA-N 291.373 -0.157 50 20 CBGD COc1ncnc(N)c1C=NNC(=O)CN1CCCC1=O 747630978 XRTIBMMZXONBKW-UHFFFAOYSA-N 292.299 -0.860 50 20 CBGD O=C1CC[C@]2(C(=O)NNc3cccnn3)SCCN12 753090621 RUBDDSPDYIKNLD-LLVKDONJSA-N 279.325 -0.015 50 20 CBGD CC(C)OC(=O)[C@@H](C)N(C)CC(=O)NNC(=O)C1CC1 759792589 NDFUCMDDNAUICR-SECBINFHSA-N 285.344 -0.184 50 20 CBGD C[C@@H](NC(=O)c1ccoc1)C(=O)NN(C)C(N)=O 770439610 NSMUGIOIFRSBRT-ZCFIWIBFSA-N 254.246 -0.560 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCC(=O)N1C 772298354 XOGXJPKQMNUNPE-YUMQZZPRSA-N 285.300 -0.904 50 20 CBGD C#C[C@H](NC(=O)NNC(=O)COCC)[C@@H]1CCCO1 776227280 IWCLJLZGFFLSIX-UWVGGRQHSA-N 269.301 -0.466 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@@H](C)O)cc1OC 786681876 DIFJUJHSKQOBIR-SSDOTTSWSA-N 268.269 -0.154 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CCc2nccn2C1 786846199 WVIAKKOWCKTVON-MRVPVSSYSA-N 251.290 -0.252 50 20 CBGD Cc1nccc(C(=O)NNC(=O)N2CCN(C)CC2)n1 788165779 GWRFJYLRTLIVIO-UHFFFAOYSA-N 278.316 -0.613 50 20 CBGD O=C(CNC(=O)NNC(=O)C1CCCC1)NCC(F)F 796582902 ZWXFOJUGWXKRKW-UHFFFAOYSA-N 292.286 -0.112 50 20 CBGD CN(C)CC(=O)NN=Cc1cc(CO)ccc1O 814832315 LOSPXYUMWCKRTP-UHFFFAOYSA-N 251.286 -0.104 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCO1)[C@H]1CCc2nncn2C1 816886808 HXZANSITRIABPC-UWVGGRQHSA-N 293.327 -0.443 50 20 CBGD CCN(CCO)NC(=O)c1cnn2c1OCCC2 823889215 MPNCLZWULGWVCN-UHFFFAOYSA-N 254.290 -0.375 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 823907023 FWZABUJWRRQSBJ-ZJUUUORDSA-N 293.389 -0.998 50 20 CBGD C[C@H](CO)N(C)NC(=O)CNC(=O)OC(C)(C)C 823965588 PPIUGFAOSGJOGW-MRVPVSSYSA-N 261.322 -0.145 50 20 CBGD CCCN1C[C@H](C(=O)NNC(=O)c2ncccn2)CC1=O 841352404 JUWXNOATHMZKDG-SECBINFHSA-N 291.311 -0.504 50 20 CBGD C[C@@H](CC(=O)NN)NS(=O)(=O)c1cccnc1Cl 843450634 VZSFRUCLOBWXNE-LURJTMIESA-N 292.748 -0.218 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCN1CCCC1=O 843649125 UAPOLKCVHXDNTP-NXEZZACHSA-N 283.328 -0.429 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ccn(C)n1 843661332 NNVDPQLYZUIDQY-ONGXEEELSA-N 280.328 -0.075 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H](O)c1cccnc1 843973568 YRLXEBRXGJCWPR-LSJOCFKGSA-N 279.296 -0.313 50 20 CBGD COC/C(C)=C\C(=O)NNC(=O)N1CCOCC1 845336566 PCFFFOPQADOUOQ-CLFYSBASSA-N 257.290 -0.348 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)CC(F)(F)F)C(=O)O 848585764 CCFWSXSOEDSTOG-BYPYZUCNSA-N 271.195 -0.010 50 20 CBGD CC1=NO[C@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)C1 854516987 VXKXLJAVIUSQEJ-UWVGGRQHSA-N 289.357 -0.357 50 20 CBGD COCC(C)(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862457208 DDMBQDPGJDXNNW-ZETCQYMHSA-N 257.290 -0.915 50 20 CBGD O=C(NNC(=O)C1(F)CCOCC1)c1ncccn1 868893631 HTKRSCREUNJYOA-UHFFFAOYSA-N 268.248 -0.244 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@](C)(O)C1CCC1 869903587 DTVIERBSGNFVEA-LBPRGKRZSA-N 274.317 -0.652 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CCSC1 869907933 GUNBGJRSXKITAG-MRVPVSSYSA-N 262.331 -0.450 50 20 CBGD C#CCCCC(=O)NNC(=O)CCNC(=O)OC 887143032 IZIZKTNZNLMSTR-UHFFFAOYSA-N 255.274 -0.317 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@H]2CCCNC2=O)n1 896507761 BAKAJYOASZUCBZ-QMMMGPOBSA-N 278.316 -0.488 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccc2nnnn2c1 910164604 ACPVHIUOICYHEK-SSDOTTSWSA-N 250.262 -0.918 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1cncc(F)c1 913731509 LIZJEQSWAWIEFV-UHFFFAOYSA-N 280.259 -0.396 50 20 CBGD Cn1nnnc1SCCC(=O)NNC(=O)C(C)(C)C 918584411 NCXYGUBGBRUTAW-UHFFFAOYSA-N 286.361 -0.114 50 20 CBGD CCO[C@@H](C)C(=O)NNC(=O)CN1CCCC1=O 920436174 XDTAKSDLBKHXTE-QMMMGPOBSA-N 257.290 -0.819 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCn2ccnc21 931520975 BLRZTCNJRNLLDT-UHFFFAOYSA-N 265.317 -0.103 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@@H]1CO 934017594 PMEDMRVOVPOBBK-NXEZZACHSA-N 257.334 -0.365 50 20 CBGD CC(C)C(=O)NNC(=O)CCCN1C(=O)CNC1=O 1115814984 LUQGJYMHYFHYTR-UHFFFAOYSA-N 270.289 -0.878 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccc(C)cc1 1116187460 OOTFUCOSFUAWKV-UHFFFAOYSA-N 265.269 -0.002 50 20 CBGD CC(=O)N[C@@H](C(=O)NNc1nccn(C)c1=O)C(C)C 1116193160 NCYDKTWELZZXGA-SECBINFHSA-N 281.316 -0.616 50 20 CBGD Cn1cc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)c(O)n1 1117698081 WKVMGWQKNKKPQL-ZETCQYMHSA-N 286.313 -0.990 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCN2CCC[C@@H]2C1 1252437875 AXQLTBAJFZZHGK-RKDXNWHRSA-N 284.316 -0.883 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccoc1C1CC1 1261835401 UOLNUQULONRDEC-UHFFFAOYSA-N 286.309 -0.037 50 20 CBGD CN(C)C(=O)NNC(=O)c1cn(CC(=O)C(C)(C)C)nn1 1318856797 SMQXTIUIWRKVTI-UHFFFAOYSA-N 296.331 -0.191 50 20 CBGD Cn1nncc1C(=O)NNc1ncccc1[N+](=O)[O-] 1321165446 YDXFHOGCZKSSJQ-UHFFFAOYSA-N 263.217 -0.125 50 20 CBGD COCC(=O)NCCC(=O)NNC(=S)NC(C)C 1321785102 NLUMNCLHFDHQCI-UHFFFAOYSA-N 276.362 -0.957 50 20 CBGD CC(C)NC(=O)C(=O)NN=Cc1cnc(N)nc1 1325111387 BYAYMXBKDKBBGG-UHFFFAOYSA-N 250.262 -0.967 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H](OC)C1CCCC1 1328186940 WEBQZVNBPGLDPT-SECBINFHSA-N 287.316 -0.305 50 20 CBGD Cc1nc([N+](=O)[O-])cn1CCC(=O)NNc1cnnn1C 1328570620 WIEJDHUOWCRXKM-UHFFFAOYSA-N 294.275 -0.238 50 20 CBGD C[C@H](NC(=O)NNC(=O)c1cn[nH]c1)[C@@H]1CCOC1 1328700839 UBDKHCXYNBYCQI-JGVFFNPUSA-N 267.289 -0.221 50 20 CBGD COCCOCC(=O)NNC(=O)CCn1ccnc1 1330603486 MKEVOSJGCWRHDS-UHFFFAOYSA-N 270.289 -0.916 50 20 CBGD CN(C)C(=O)CCCC(=O)N1CC[C@@H](B(O)O)C1 1331897807 ZNDLFBVAIYGUIW-SECBINFHSA-N 256.111 -0.680 50 20 CBGD COCCOCC(=O)NNC(=O)c1c(C2CC2)cnn1C 1332169969 FNPBSACTVZDVDS-UHFFFAOYSA-N 296.327 -0.279 50 20 CBGD CC(C)(C)n1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)nn1 1335329478 JLRJVJIITOIRSP-ZETCQYMHSA-N 294.315 -0.927 50 20 CBGD O=C(C1CC1)N1CCC[C@@H](C(=O)N2CC[C@@H](B(O)O)C2)C1 1335430306 FIZCBVMBZKFFOP-VXGBXAGGSA-N 294.160 -0.290 50 20 CBGD CN1C(=O)CCC[C@H]1C(=O)NNC(=O)C1CCOCC1 1336904255 JVCYYSAMBCZJNS-JTQLQIEISA-N 283.328 -0.429 50 20 CBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)NC1CCCC1 1345809850 ALUQIJICLTUXBJ-CMPLNLGQSA-N 295.387 -0.352 50 20 CBGD CNC[C@@H](C)CNC(=O)NNC(=O)c1ncccn1 1578625759 ZSCLMVSVIHCLQA-MRVPVSSYSA-N 266.305 -0.724 50 20 CBGD C=CCNC(=S)NNC(=O)c1cnc(C(=O)O)cn1 1588845565 XIGLBKIESYSFLU-UHFFFAOYSA-N 281.297 -0.530 50 20 CBGD CC[C@@H](C(=O)O)N(C)CC(=O)NNC(=O)C(C)(C)C 1589441149 TYBGDVSNKWYWRP-QMMMGPOBSA-N 273.333 -0.025 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CC2(CCC2)C1)c1cnn[nH]1 1601553745 SPYNMCDJCSGRDE-UHFFFAOYSA-N 293.283 -0.399 50 20 CBGD Cn1cc(C=NNC(=O)CN2CCCC2=O)cc1C(=O)O 1608106246 AKTCELXCYNNRGJ-UHFFFAOYSA-N 292.295 -0.204 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)O)cc1C 1609622440 WXIDLCLZVJVKBZ-UHFFFAOYSA-N 279.252 -0.201 50 20 CBGD O=C(O)CSCC(=O)NNC(=O)[C@@H]1CCCCO1 1611496456 LDPHTNBPGHMSFA-ZETCQYMHSA-N 276.314 -0.479 50 20 CBGD CCOCC(=O)NNC(=O)Nc1cc(C)nn1C 66595230 RHZHYOLFTLPQMZ-UHFFFAOYSA-N 255.278 -0.082 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)N1CCCCCC1 72817955 BLUWEHDTYWLJAG-LLVKDONJSA-N 298.387 -0.077 50 20 CBGD C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)C(=O)NC1CC1 105311951 VAUUIRDFPJXSLZ-VXNVDRBHSA-N 268.317 -0.216 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)C[C@H]1CCCOC1 112981558 ZCTMSRZUXBJXAC-SNVBAGLBSA-N 269.345 -0.098 50 20 CBGD CCNS(=O)(=O)CCNS(=O)(=O)CCCCl 231025137 IZULLBCHUHZIOK-UHFFFAOYSA-N 292.810 -0.526 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H](C)CC(=O)OC 268216980 RSWYDERELYHTQS-QMMMGPOBSA-N 275.305 -0.448 50 20 CBGD C=C[C@](C)(CC)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 276065615 DWRDBJIMGJAPHY-LDYMZIIASA-N 291.373 -0.326 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)N2CCC[C@@H](C)C2)[nH]n1 278485277 VHGIXPWMOLTQPH-MRVPVSSYSA-N 293.327 -0.262 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCO1)c1cnc(S)[nH]1 294468372 ASIONASLEXKLIL-LURJTMIESA-N 256.287 -0.362 50 20 CBGD COC(=O)N(C)NC(=O)c1cnc2[nH]nnc2c1 496317582 ATRGCCRRPWBQEE-UHFFFAOYSA-N 250.218 -0.304 50 20 CBGD CN1CCC(CCNC(=O)c2ccc(B(O)O)cc2)CC1 584936563 JNDYPVYRNGLOFU-UHFFFAOYSA-N 290.172 -0.172 50 20 CBGD O=C(NC1CCS(=O)CC1)c1ccc(B(O)O)c(F)c1 584970408 YXBZDSLGKDHLFD-UHFFFAOYSA-N 299.132 -0.854 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)CC[C@@H]1O 584972971 AQZKWZISXAWRPC-PELKAZGASA-N 281.092 -0.652 50 20 CBGD CO[C@@H]1CC[C@@H](NC(=O)c2cccc(B(O)O)c2)C1 584980225 UCGSWPMKWRPSBR-VXGBXAGGSA-N 263.102 -0.336 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@H]2C[C@H]2C1 585006582 XGANQFKADDHHIA-WPRPVWTQSA-N 263.077 -0.013 50 20 CBGD OB(O)c1ccc(CNC[C@@H]2CCN(C3CC3)C2)o1 585017614 FCPZJKKHYLUXFE-JTQLQIEISA-N 264.134 -0.467 50 20 CBGD C[C@H](CCNCc1ccc(B(O)O)o1)[S@](C)=O 585034372 PBDSDYHYLAUBOG-RBHXEPJQSA-N 259.136 -0.794 50 20 CBGD COCC1(CNCc2ccc(B(O)O)o2)CCOCC1 585044030 YGVUCEBYLBTSPI-UHFFFAOYSA-N 283.133 -0.508 50 20 CBGD C[C@@H](CC(=O)NCB(O)O)NC(=O)C1CCCCC1 585062224 RTTLLGPWRPTPME-VIFPVBQESA-N 270.138 -0.410 50 20 CBGD CC(=O)NNC(=O)CNc1ccc(S(C)(=O)=O)cc1 727171235 FIBNNGJXIJPTGN-UHFFFAOYSA-N 285.325 -0.331 50 20 CBGD COc1ccc(C(=O)NNC(=O)c2cnn[nH]2)c(OC)c1 729455471 GEABNHFSYRLERV-UHFFFAOYSA-N 291.267 -0.103 50 20 CBGD C=CCOCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 729651664 LNHZXIKDDZPSGK-SNVBAGLBSA-N 276.358 -0.319 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=O)CCc1ccccc1O 730033926 DLRKCDKMSFDERK-SECBINFHSA-N 293.323 -0.003 50 20 CBGD COc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cn1 730092573 KMMPCGXZUXTUOY-UHFFFAOYSA-N 275.268 -0.183 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@@H]1CCCCO1 731284530 YUGSRUWGXRMFDL-VIFPVBQESA-N 259.306 -0.078 50 20 CBGD CCC[C@](C)(NCC(=O)NNC(=O)C1CC1)C(=O)OC 733198425 GCQGJDPFTLAQED-ZDUSSCGKSA-N 285.344 -0.135 50 20 CBGD NC(=O)CSCC(=O)NNC(=O)CCc1ccccc1 735653288 JYFZJUQQSKYWAK-UHFFFAOYSA-N 295.364 -0.015 50 20 CBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)C1CC1 735835480 VMUXEEHHBGJOJA-UHFFFAOYSA-N 277.346 -0.785 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](C)CCOC 748628389 VBLPEPMSLRNGRF-VHSXEESVSA-N 291.348 -0.207 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cccnc1O 751387674 URDUYHRGOLWXKA-UHFFFAOYSA-N 266.257 -0.526 50 20 CBGD CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)CO)C1 753443784 AHSNTKYHSZTXDX-NXEZZACHSA-N 285.344 -0.589 50 20 CBGD CCC(=O)NNC(=O)Nc1ccn(CC(=O)N(C)C)n1 756312097 VEHWWMODXWPJCH-UHFFFAOYSA-N 282.304 -0.466 50 20 CBGD COCCN1C[C@H](C(=O)NNc2ncc(F)cn2)CC1=O 760922784 OOOSZSMVUGGVDW-MRVPVSSYSA-N 297.290 -0.446 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCN(C(=O)CC)C1 762387408 SNMVXNSIGHMNCY-SECBINFHSA-N 286.332 -0.636 50 20 CBGD Cc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)CO)c1 764429658 VAWNCFGOOMWWCO-UHFFFAOYSA-N 285.687 -0.273 50 20 CBGD O=C(CN1CCS[C@@H]2COCC[C@H]21)NNC(=O)C1CC1 767914012 WZYJMHOAAKEGLJ-GHMZBOCLSA-N 299.396 -0.250 50 20 CBGD CSCCNC(=S)NNC(=O)c1ccnn1C 770238987 FIUGWSHTMLKRAN-UHFFFAOYSA-N 273.387 -0.108 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](CC)CO 779785244 GVVHCYRQTDAMRH-MRVPVSSYSA-N 273.333 -0.543 50 20 CBGD C[C@@H](O)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 786763236 XZNFHFLRWMSROZ-SSDOTTSWSA-N 286.309 -0.768 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCC(C)(C)O 787386927 LGRIDXWTVOEMAI-UHFFFAOYSA-N 287.360 -0.010 50 20 CBGD C=CCN1CC[C@@H](N(C)[C@H](C)C(=O)NNC(=O)CC)C1=O 799177150 IPDNJFIFKKXLNW-GHMZBOCLSA-N 296.371 -0.349 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C(=O)c1cccn1C 805651731 GQDATIZWSLGANL-QMMMGPOBSA-N 295.295 -0.303 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCSC1)C(=O)NC1CC1 809968715 FTMMSJCGMGWJPS-SSDOTTSWSA-N 271.342 -0.444 50 20 CBGD C[C@@H](NC(=O)NNc1ncncc1F)C(=O)N(C)C 814307990 BNTKRHGUGZKOLV-ZCFIWIBFSA-N 270.268 -0.282 50 20 CBGD CC(=O)NNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 822164337 WBMMQCLTIKOGJH-AWEZNQCLSA-N 277.324 -0.209 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCOC[C@@H]1C 827267222 GPLUHTOSMJZYBR-LPEHRKFASA-N 271.317 -0.127 50 20 CBGD O=C(NCC1(C(=O)O)CCOCC1)NNc1ncccn1 831067894 HZNZFEJHQCMVHV-UHFFFAOYSA-N 295.299 -0.016 50 20 CBGD C[C@H](N)C[C@H](C)NC(=O)NNC(=O)C(=O)N1CCCC1 831203086 QPSSFNSSKHDEMU-IUCAKERBSA-N 285.348 -0.935 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1nccn(C)c1=O 831611323 SHGUCDNRGADHFL-HTQZYQBOSA-N 295.299 -0.642 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(CNC)CC1 843351581 QARACPWXNWRPRZ-SNVBAGLBSA-N 270.377 -0.136 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CC[C@H]1C(N)=O 848234072 BUABPZDHHGPLHD-RBXMUDONSA-N 269.301 -0.930 50 20 CBGD CC(C)CC(=O)NNC(=O)NC[C@@H]1COCCN1 861681863 SKPJBFVTTVTZMD-SECBINFHSA-N 258.322 -0.649 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(O)ncn1 862094959 FUVCOFJKEZPFHE-NKWVEPMBSA-N 266.257 -0.632 50 20 CBGD C=C(C)[C@H](CC(=O)NNC(=O)[C@H]1CCC(=O)N1)OCC 862458124 XUMADDPBIFXWHW-ZJUUUORDSA-N 283.328 -0.216 50 20 CBGD Cc1[nH]c(C=NNC(=O)[C@@H]2CCC(=O)N2)cc1C(=O)O 863152764 FOZROHVFWWSCFZ-VIFPVBQESA-N 278.268 -0.250 50 20 CBGD COc1cccc(C=NNC(=O)CS(C)(=O)=O)n1 863186740 KAJMQHOGJCAFHP-UHFFFAOYSA-N 271.298 -0.415 50 20 CBGD Cc1nocc1C(=O)NNC(=O)N1CCN(C)CC1 868120225 DETMUFCPHVUBIU-UHFFFAOYSA-N 267.289 -0.415 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)C1CCOCC1 883067828 XNTBCBLOMWVCKX-LLVKDONJSA-N 285.344 -0.719 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@@H]1CCCN1C=O 899997937 BBIDVWRJHDSDRG-QMMMGPOBSA-N 272.374 -0.099 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](CF)C1 916101443 ZKRNRALZTHUUGY-VIFPVBQESA-N 251.066 -0.202 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NC[C@H]1COCCO1 918107276 POFSAPPVIFXDMF-QMMMGPOBSA-N 259.306 -0.222 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@H]1COCCO1 918366912 YUTJVDMUOVQIIT-RXMQYKEDSA-N 256.180 -0.498 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCCN1C(C)C 929443983 BERHALNCUNANLO-JTQLQIEISA-N 284.360 -0.469 50 20 CBGD CNC(=O)c1cccc(NC(=O)NNC(=O)CCO)c1 1116610597 XMRBXWGLEWYRHT-UHFFFAOYSA-N 280.284 -0.419 50 20 CBGD N#C[C@H]1CC[C@@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 1312902240 SNUYFGAFNKGWAQ-YIZRAAEISA-N 279.300 -0.712 50 20 CBGD CS(=O)(=O)CCCNC(=O)NNc1cccnn1 1318668040 VJZXKXIFMOSFSX-UHFFFAOYSA-N 273.318 -0.463 50 20 CBGD NC(=O)Cn1cc(C(=O)NNc2ccc(Cl)nc2)nn1 1318791974 MGNMEYQGQZGBPN-UHFFFAOYSA-N 295.690 -0.431 50 20 CBGD CC(=O)NCC(=O)NNc1nncc(N)c1Cl 1319221118 ZYXOKEGNQKINOQ-UHFFFAOYSA-N 258.669 -0.709 50 20 CBGD CCC(=O)N1CC[C@H](C(=O)NNc2nccn(C)c2=O)C1 1319335795 JPJJLKNBCJGXPO-VIFPVBQESA-N 293.327 -0.518 50 20 CBGD O=C(NNC(=O)[C@@H]1CCn2cncc2C1)NC1CC1 1320059288 UUQLHLJHASFHCL-MRVPVSSYSA-N 263.301 -0.062 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H](C)N1C(=O)CCC1=O 1322392060 CKSNDNMMIPBQRC-ZETCQYMHSA-N 286.357 -0.572 50 20 CBGD N#CCCCCCC(=O)NNC(=O)C(=O)NC1CC1 1322749184 QFNWTIWHQKZTRY-UHFFFAOYSA-N 266.301 -0.114 50 20 CBGD CN(NC(=O)Cc1ccccc1S(C)(=O)=O)C(N)=O 1323020099 ZCMDNYFSXNKDQH-UHFFFAOYSA-N 285.325 -0.326 50 20 CBGD COCC(C)(C)CCCNC(=O)NNC(=O)C(=O)OC 1325069799 WISCHKUVAZKRKH-UHFFFAOYSA-N 289.332 -0.057 50 20 CBGD O=C(NNc1ncc(F)cn1)[C@@H]1CCCS(=O)(=O)C1 1327292712 YDZDQDQSGJTDGC-SSDOTTSWSA-N 288.304 -0.116 50 20 CBGD CSCCNC(=S)NNC(=O)c1ccnnc1 1327558481 CTEKJQBLDDNJNI-UHFFFAOYSA-N 271.371 -0.052 50 20 CBGD OB(O)[C@H]1CCN(c2cncc(-n3cncn3)n2)C1 1329214783 KIVYGYUIPXFBET-QMMMGPOBSA-N 260.066 -0.890 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnc(O)c1 1329547761 NDKVXHYBYMGXRB-APPZFPTMSA-N 265.269 -0.027 50 20 CBGD CCNC(=O)CCCC(=O)N1CC[C@@H](B(O)O)C1 1329670628 CBMAFJUDCUANME-SECBINFHSA-N 256.111 -0.632 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)Nc1cnsn1 1332156327 HBWUESXKYMXJAI-RITPCOANSA-N 299.312 -0.951 50 20 CBGD O=C(NC[C@@H]1CCCCCN1)NNC(=O)C1CCNCC1 1338766539 PDAXKKDVJQAYDD-LBPRGKRZSA-N 297.403 -0.151 50 20 CBGD O=C(NCCn1cncn1)NNC(=O)C1CCC1 1338908519 FTXCUCZLHKUTJF-UHFFFAOYSA-N 252.278 -0.591 50 20 CBGD Cn1cc(C(=O)NNC(=O)NC2CCCC2)nn1 1343689575 SLOBSKVROQBYLR-UHFFFAOYSA-N 252.278 -0.298 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@@H]1CCO[C@H]1CN 1575142645 YOWIHYFDEMNCDJ-SFYZADRCSA-N 274.390 -0.356 50 20 CBGD C[C@H](Cc1cnn(C)c1)C(=O)NNC(=O)C1CCNCC1 1576067729 ZFLQXJLZFZIQRF-SNVBAGLBSA-N 293.371 -0.254 50 20 CBGD O=C(NNc1ncncc1F)c1cc(-c2nn[nH]n2)c[nH]1 1593166299 GZIUUNCRMSMBTI-UHFFFAOYSA-N 289.234 -0.119 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CC=CC1)[C@H]1CCCO1 1594779233 NHGXQHLGFDFBDE-MRVPVSSYSA-N 268.269 -0.266 50 20 CBGD CC(C)[C@H](NCC(=O)NNC(=O)C1CC1)C(=O)O 1603099563 INDVHNCXRPROOI-VIFPVBQESA-N 257.290 -0.757 50 20 CBGD CN1CCC(CCNC(=O)NNC(=O)C(=O)O)CC1 1606213597 GJBOJWWYJANYCL-UHFFFAOYSA-N 272.305 -0.867 50 20 CBGD CCN1C[C@@H](C(=O)NNC(=O)c2ccc[nH]2)CC1=O 122587552 FDPUKTQSKKCMJG-QMMMGPOBSA-N 264.285 -0.356 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)c1ccc(C#N)cc1 129172460 BBRFYYYKARRHPV-QMMMGPOBSA-N 274.280 -0.156 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1ccc(C#N)cc1)S(C)(=O)=O 142404075 FZHNBCYQGQWALD-QMMMGPOBSA-N 295.320 -0.248 50 20 CBGD O=C(CN1CSCC1=O)NNc1nc2ccccn2n1 276868455 SFXCQVAOBWRYAK-UHFFFAOYSA-N 292.324 -0.295 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cncn1C 290187342 OGLFDVGLALXKOQ-UHFFFAOYSA-N 284.316 -0.030 50 20 CBGD O=C(CCN1CCOC1=O)NNC(=O)C1CCC1 491329499 QHEOECUJOJGBRX-UHFFFAOYSA-N 255.274 -0.224 50 20 CBGD O=C(COc1ccc(B(O)O)cc1)NC1CCOCC1 584909385 KOYXCVOWLFKSPT-UHFFFAOYSA-N 279.101 -0.960 50 20 CBGD C[C@@](C#N)(NC(=O)COc1ccc(B(O)O)cc1)C1CC1 584909461 LTYKIJLNEZGJQS-AWEZNQCLSA-N 288.112 -0.446 50 20 CBGD CC[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)CCO1 584926817 CJXPEWAGWKQEGF-GFCCVEGCSA-N 263.102 -0.383 50 20 CBGD C[C@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)CCO1 584969290 KRJQTPYMYXZJKS-JOYOIKCWSA-N 263.102 -0.336 50 20 CBGD C[C@H](Cc1cnn(C)c1)NC(=O)c1cccc(B(O)O)c1 584996575 LXPVVTSXQZISAD-SNVBAGLBSA-N 287.128 -0.539 50 20 CBGD O=C(NCCC1(CO)CC1)c1ccc(B(O)O)c(F)c1 584997082 UJVDTFLFHVKPBJ-UHFFFAOYSA-N 281.092 -0.602 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCO[C@@H](CF)C1 585002564 YTBWNIYPOQVXKI-VIFPVBQESA-N 285.055 -0.684 50 20 CBGD OB(O)c1ccc(CN[C@@H]2Cc3cccc(O)c3C2)o1 585038099 RYYAODSHZQTGGY-SNVBAGLBSA-N 273.097 -0.078 50 20 CBGD CCc1ccc(C(=O)NCB(O)O)cc1[N+](=O)[O-] 585060632 UQTFUQWKBNKBTQ-UHFFFAOYSA-N 252.035 -0.101 50 20 CBGD COc1ccc2c(c1)C[C@H](C(=O)NCB(O)O)CO2 585062594 UTGPKADWTFFRPT-VIFPVBQESA-N 265.074 -0.626 50 20 CBGD CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@H](B(O)O)C1 585067965 WNJMYCPDNCXWFL-WDEREUQCSA-N 270.138 -0.388 50 20 CBGD CCC(=O)N[C@@H](CCSC)C(=O)NNC(=O)N(C)C 746014692 MHTNOOHADSLBON-QMMMGPOBSA-N 290.389 -0.063 50 20 CBGD N#Cc1ccc(N2CCC[C@@H]2C(=O)NNC(=O)CO)cc1 753446004 YHRZTCIXZGQSSH-GFCCVEGCSA-N 288.307 -0.333 50 20 CBGD COC[C@@](C)(O)C(=O)NNc1nccc(OC)n1 754966737 RKLXUAPQMOODOU-SNVBAGLBSA-N 256.262 -0.674 50 20 CBGD CNC(=O)NCC(=O)NNc1nc(-c2ccncc2)no1 761156318 OQRJBUBASYRSTA-UHFFFAOYSA-N 291.271 -0.496 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1c(F)cccc1F 764299740 MGGWORBATUKSAT-UHFFFAOYSA-N 287.222 -0.303 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NNC(=O)[C@@H]1CCCCO1 772222272 LLGOSZYWZVNPCP-RYUDHWBXSA-N 299.371 -0.329 50 20 CBGD C#C[C@H](NCC(=O)NNC(=O)C1CC1)[C@@H]1CCCO1 775799355 KLYNFUBUPPOJBC-QWRGUYRKSA-N 265.313 -0.686 50 20 CBGD CC[C@@H]1C[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)CCO1 779892446 JBXGUYXLQJSEND-GHMZBOCLSA-N 297.355 -0.039 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCOC1(C)C 814835537 UOSSIVDPWKTCHZ-ZETCQYMHSA-N 277.346 -0.405 50 20 CBGD CCN(CCO)NC(=O)c1cn(C(C)(C)C)nn1 823878922 AFDZZSUPCCFAHC-UHFFFAOYSA-N 255.322 -0.008 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CCCNC(=O)c1cccnc1 823945938 ASOJYCSGPVZQJS-NSHDSACASA-N 294.355 -0.065 50 20 CBGD CC(=O)N1CC[C@@](C)(C(=O)NN(C)[C@@H](C)CO)C1 823952094 OEUJGQNWHOTRAK-JOYOIKCWSA-N 257.334 -0.411 50 20 CBGD CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)C1CCOCC1 828831088 ZQQXDBLDUXCFQK-VHSXEESVSA-N 256.302 -0.015 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C)CC(=O)O 828861704 FECMLOGXBDVUER-SSDOTTSWSA-N 287.316 -0.451 50 20 CBGD CCN1C[C@H](C(=O)NNC(=O)[C@@H]2CCCCO2)CC1=O 833256556 OQVFJFSCIXWGIW-ZJUUUORDSA-N 283.328 -0.429 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H](CN)C1CCCC1 841987660 PJNPFPVSNSANSK-SNVBAGLBSA-N 272.349 -0.129 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1csnn1 843971594 CQCUEOOQKLYJJJ-RITPCOANSA-N 256.287 -0.276 50 20 CBGD COC(=O)C[C@H](C)CC(=O)NNC(=O)c1ccnnc1 848231348 ZDKWZJPNXWNBGB-MRVPVSSYSA-N 280.284 -0.173 50 20 CBGD CN(C)c1cccc(C(=O)NNC(=O)C[C@@H]2CC(=O)N2)c1 854264001 SAMNEJSBUQOLEV-JTQLQIEISA-N 290.323 -0.208 50 20 CBGD C=CCCO[C@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862454238 SIGDRNWXPZWYKI-RKDXNWHRSA-N 269.301 -0.606 50 20 CBGD O=C(/C=C/CN1CCOCC1)NNc1ncccn1 864768948 NZWSUEHLQCYATK-HNQUOIGGSA-N 263.301 -0.192 50 20 CBGD CNC(=S)N(C)NC(=O)c1cnn(CCOC)c1 868861147 OWJAJZAUAVDATA-UHFFFAOYSA-N 271.346 -0.390 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)C[C@@H]1CCC(=O)N1 899994843 BHCHOTMYMCMPEY-ZETCQYMHSA-N 272.374 -0.051 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CNC(=O)c1ccccc1 910182467 IMEXHEDACHVUIU-SNVBAGLBSA-N 265.313 -0.240 50 20 CBGD O=C(/C=C/c1cccnc1)NNC(=O)CN1CCCC1=O 913730141 IWFRAKSRUUFCPV-AATRIKPKSA-N 288.307 -0.135 50 20 CBGD CC(C)CC(=O)NNC(=O)c1ccc(C(N)=O)nc1 1318095947 XZBVJJODVQYPGR-UHFFFAOYSA-N 264.285 -0.012 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC#Cc1ccccc1 1319004579 WSMJQNOOQDRAPD-UHFFFAOYSA-N 275.264 -0.459 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccnc(SC)c1 1320573724 OECHYUZMLSFHKI-UHFFFAOYSA-N 298.324 -0.193 50 20 CBGD CCCc1nc(C(=O)NNC(=O)C(=O)NC(C)C)co1 1323862206 XYYRRVMVXCQNDA-UHFFFAOYSA-N 282.300 -0.087 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@@H](CO)C1CC1 1329192812 IFWHBCPZSLBHOI-QMMMGPOBSA-N 253.262 -0.875 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccc2c(c1)COC2 1333846266 IYXHBGKLBMVNPO-UHFFFAOYSA-N 293.279 -0.280 50 20 CBGD NC(=O)Cc1occc1C(=O)NNC(=O)c1ccncc1 1345367881 NZCASQVHYWNQEY-UHFFFAOYSA-N 288.263 -0.223 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC1SCCS1 1350604865 DQXNGVGHYVZTRQ-UHFFFAOYSA-N 279.343 -0.704 50 20 CBGD Cc1cc(=NNC(=O)C2(C3(O)CNC3)CCC2)cc[nH]1 1579636177 UVXKFSJYIGAMRK-UHFFFAOYSA-N 276.340 -0.240 50 20 CBGD O=C(NNC(=O)[C@@H]1CCN1)[C@H]1CCc2c[nH]nc2C1 1580733293 RBHCIVCNCIPTJQ-CBAPKCEASA-N 263.301 -0.976 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CC[C@H]1C(=O)O 1589415642 KJJHKMRNLZGODR-BZNPZCIMSA-N 270.285 -0.330 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1 1594645257 QQCZLHHDPSNEOX-IMSYWVGJSA-N 299.327 -0.005 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cccc(C(=O)O)c2)N1 1595282542 LJFXAUCMQSWWFJ-SECBINFHSA-N 291.263 -0.576 50 20 CBGD CCOC(=O)/C(C#N)=C\NCCn1cc(C(=O)O)nn1 1596509098 ARRXLXULTKYBOG-VURMDHGXSA-N 279.256 -0.464 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1ccsc1C(=O)O 1598139920 HXLBRRXBJWUYRZ-UHFFFAOYSA-N 293.326 -0.089 50 20 CBGD CN(C)N(C(=O)[C@H]1C[C@H]1C(=O)O)[C@@H]1CCS(=O)(=O)C1 1598257769 SESJYJLONPKEBA-HRDYMLBCSA-N 290.341 -0.801 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCOC12CCCCC2 1601553139 VFTZFNURYINHPD-QMMMGPOBSA-N 285.300 -0.107 50 20 CBGD CC[C@H](C)[C@@H](NNC(=O)[C@H]1COCCO1)C(=O)O 1604942620 CGODMFBZVUHNLO-DJLDLDEBSA-N 260.290 -0.478 50 20 CBGD Cc1cc(C)n(CC(=O)NNC2=c3ccccc3=NC2=O)n1 6796768 LOLNFRZARWIZMM-UHFFFAOYSA-N 297.318 -0.911 50 20 CBGD CCC[C@@H]1C[C@H]1NC(=O)NNC(=O)C(=O)NC1CC1 74927304 LFVNXOJMYLPODU-VXNVDRBHSA-N 268.317 -0.216 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1cccc(=O)n1C 156141489 WZTQPPXOBKRITO-UHFFFAOYSA-N 274.280 -0.201 50 20 CBGD CC(C)[C@@H](CO)NC(=O)NNC(=O)Cc1cccnc1 180994152 BVEMMPAQRXVHFS-LLVKDONJSA-N 280.328 -0.029 50 20 CBGD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NN)C1=O 192479709 FJMJSUAISVGDAE-LBPRGKRZSA-N 280.259 -0.417 50 20 CBGD CCOC(=O)/C(C#N)=C/NC[C@@H]1CN(C)CCN1C 264785427 RKVRTMNXOJBOCZ-JATZPVMKSA-N 266.345 -0.208 50 20 CBGD C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)C(C)(C)O 281506582 GKFVWDLKMKJGTR-JGVFFNPUSA-N 256.302 -0.090 50 20 CBGD CN1C[C@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)CC1=O 296505383 QFSFULGGDCKPRN-BDAKNGLRSA-N 284.316 -0.883 50 20 CBGD CC(=O)NCC(=O)NNC(=O)c1ccc2c(c1)OCCO2 298181212 CXUAAWHVYFEILK-UHFFFAOYSA-N 293.279 -0.645 50 20 CBGD COCC1(O)CN(S(=O)(=O)CCCCl)C1 384025896 AOIZQSAZUDGOLW-UHFFFAOYSA-N 257.739 -0.362 50 20 CBGD COC(=O)NCCC(=O)NNC(=S)NCCSC 494362288 GQBQBSPVKDBFPV-UHFFFAOYSA-N 294.402 -0.409 50 20 CBGD C[C@H]1[C@@H](CO)CCN1C(=O)c1cc(B(O)O)ccc1F 584981048 AMQQPUUGUGBGPQ-DTWKUNHWSA-N 281.092 -0.652 50 20 CBGD CN1C[C@H]2CN(C(=O)c3ccc(B(O)O)cc3)C[C@H]2C1 584981383 FOJNGRMQXBHOEC-TXEJJXNPSA-N 274.129 -1.000 50 20 CBGD CC[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)C(C)(C)O 584995237 SYRPNWPRBLNERJ-LLVKDONJSA-N 283.108 -0.215 50 20 CBGD CC[C@@H](CO)N(C)C(=O)c1cc(B(O)O)ccc1F 584995459 UFICXIPHHRIKQW-VIFPVBQESA-N 269.081 -0.652 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CC2CC1(CO)C2 585006844 POWSCJWSOKRLPP-UHFFFAOYSA-N 279.076 -0.898 50 20 CBGD C[C@H]1C[C@H](NCc2cccc(B(O)O)c2)CCN1C 585026599 IGJBMLRIGVTYJD-SMDDNHRTSA-N 262.162 -0.061 50 20 CBGD CS[C@@H](CO)[C@H](C)NCc1ccc(B(O)O)cc1F 585028091 HMANHSAWETWASA-UFBFGSQYSA-N 287.165 -0.293 50 20 CBGD CN(CCCNC(=O)C1CCC1)Cc1ccc(B(O)O)o1 585038174 VFRQUSDOFLJHSD-UHFFFAOYSA-N 294.160 -0.302 50 20 CBGD OC[C@H](CNCc1ccc(B(O)O)cc1F)[C@@H]1CCOC1 585039559 UCVYASLMLGRDLL-NEPJUHHUSA-N 297.135 -0.760 50 20 CBGD O=C1[C@H](NCc2cccc(B(O)O)c2)C[C@@H]2CCCCN12 585044720 RBVMFPVAYVURNN-UONOGXRCSA-N 288.156 -0.391 50 20 CBGD C[C@@H](NCc1cccc(B(O)O)c1)c1cnnn1C 585046620 WTZKPTODDXWYQK-SECBINFHSA-N 260.106 -0.654 50 20 CBGD O=C(NCC1CC1)NNC(=O)C1(C(=O)NC2CC2)CC1 726162253 OYYMBUGRRJGOLT-UHFFFAOYSA-N 280.328 -0.214 50 20 CBGD CCN(CC(=O)NC)[C@@H](C)C(=O)NNC(=O)CC(C)C 741787036 LNHHXSMKQBUJNA-JTQLQIEISA-N 286.376 -0.364 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)c1cnccn1 747322970 FIKNUCCHCXIABE-UHFFFAOYSA-N 257.253 -0.125 50 20 CBGD CC1=C(C(=O)NNC(=O)C(=O)NC2CC2)C(=O)OC1(C)C 748558316 YCMCDHBQQLTLQJ-UHFFFAOYSA-N 295.295 -0.936 50 20 CBGD COCCCCC(=O)NNC(=O)CNC(=O)c1ccco1 751198417 CNKISFUZAXEGNJ-UHFFFAOYSA-N 297.311 -0.027 50 20 CBGD O=C(C=C1CCC1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 755229259 AQPDFNTZZLETDU-VIFPVBQESA-N 287.341 -0.386 50 20 CBGD CC(C)NC(=O)NNC(=O)c1ccc2nnnn2c1 758202361 XDWBYRNMQKXQIH-UHFFFAOYSA-N 263.261 -0.523 50 20 CBGD CCNC(=O)N(C)NC(=O)CCn1cc([N+](=O)[O-])cn1 770542166 DXSPIXNQJVBYEQ-UHFFFAOYSA-N 284.276 -0.126 50 20 CBGD O=C(CO)NNC(=O)COCCOc1ccccc1 777781897 QOWYWKFSIRMGBF-UHFFFAOYSA-N 268.269 -0.778 50 20 CBGD C[C@H]1COC(=O)C1=NNC(=O)N1CCN(C)CC1 794940462 VQMFRWCNDFGXDE-QMMMGPOBSA-N 254.290 -0.508 50 20 CBGD CC(C)CC(=O)NNC(=O)NCCS(=O)(=O)N(C)C 811978141 WNJDPQXVDYSURC-UHFFFAOYSA-N 294.377 -0.746 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CC(=O)N(C2CC2)C1 823842442 SXJDNKHAZXVYQR-VIFPVBQESA-N 255.318 -0.657 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CNCC(F)(F)F 843971557 CHJYMRPKFSUISN-NKWVEPMBSA-N 283.250 -0.289 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)[nH]1 857275207 ULPYVAYFZWTAMY-VIFPVBQESA-N 280.284 -0.556 50 20 CBGD CCN(CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(C)C 858194420 DVKVWANFKGVYOS-SNVBAGLBSA-N 299.375 -0.674 50 20 CBGD CC1(OCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCC1 862457489 KNZHLSGRASREIH-QMMMGPOBSA-N 269.301 -0.628 50 20 CBGD O=C(/C=C/[C@H]1CCOC1)NNC(=O)c1cn[nH]c1 862470093 ZQOYSMJFMZMIPJ-CMLYIYFCSA-N 250.258 -0.237 50 20 CBGD CCOC(=O)C1(C(=O)N2CC[C@@H](B(O)O)C2)CC1 864230695 COMDNCGCQDBJOG-MRVPVSSYSA-N 255.079 -0.595 50 20 CBGD COCCOCC(=O)NNC(=O)c1cscn1 869907291 HQNFZWYUECUDLH-UHFFFAOYSA-N 259.287 -0.433 50 20 CBGD CCNC(=O)NNC(=O)/C=C1/SCC(=O)N1C 874193854 PULBOQPZUOIYBQ-XBXARRHUSA-N 258.303 -0.617 50 20 CBGD CCc1nn(C)cc1S(=O)(=O)N1CC[C@H](B(O)O)C1 887330885 BBMRQTMXOZUEIC-QMMMGPOBSA-N 287.150 -0.780 50 20 CBGD C[C@@H](C(=O)NNC(=S)NC(C)(C)C)S(C)(=O)=O 899992022 JVEYCMVRDFOORO-LURJTMIESA-N 281.403 -0.287 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCCS1(=O)=O 917180666 IFWGPHDTMZGXNX-UHFFFAOYSA-N 277.346 -0.785 50 20 CBGD C[C@H]1COC[C@@H]1NC(=O)NNC(=O)Cc1cccnc1 926003462 HPTSLAMKRVXOMR-ONGXEEELSA-N 278.312 -0.011 50 20 CBGD C[C@H]1[C@H](N(C)C)CCN1CC(=O)NNC(=O)C1CC1 931039925 UMGGWIBVNRRUMN-GXSJLCMTSA-N 268.361 -0.432 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCOCCC(C)C 1116181993 ONSXBMWBCUFDKC-UHFFFAOYSA-N 275.305 -0.448 50 20 CBGD COC(=O)c1cc(N2CC[C@@H](B(O)O)C2)ncn1 1119375439 FPKAMAWLBUSSRZ-SSDOTTSWSA-N 251.051 -0.684 50 20 CBGD CCCNC(=O)[C@H](C)NC(=O)NNC(=O)c1cn[nH]c1 1122105270 PDJKDJOTHPWJRF-ZETCQYMHSA-N 282.304 -0.732 50 20 CBGD CCc1nncn1CCNC(=O)NNC(=O)c1ccc[nH]1 1255007612 HUCXGRLTSITJFO-UHFFFAOYSA-N 291.315 -0.187 50 20 CBGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)OC)CC1 1317773738 FUFTYNHSWZGTOH-UHFFFAOYSA-N 293.345 -0.565 50 20 CBGD CS(=O)(=O)c1cccc(NNC(=O)C2(C(N)=O)CC2)c1 1320660830 PKMLJIKIANMKGB-UHFFFAOYSA-N 297.336 -0.201 50 20 CBGD CC(=O)NNC(=O)c1ccc(C(N)=O)c(Cl)n1 1321333106 RYHLWSBUQKADEY-UHFFFAOYSA-N 256.649 -0.385 50 20 CBGD Cc1cn2ccnc(C(=O)NNC(=O)N(C)C)c2n1 1324611676 QJYZXTKHOVDFIL-UHFFFAOYSA-N 262.273 -0.046 50 20 CBGD CC(=O)Nc1nc(C(=O)NN(C)C(N)=O)cs1 1324779660 XBQVKYXXHNOITE-UHFFFAOYSA-N 257.275 -0.243 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1ccncn1 1329109500 CKSSOCOWLOAQHJ-UHFFFAOYSA-N 256.287 -0.639 50 20 CBGD COC(=O)COCC(=O)NNC(=O)c1ccc(OC)cc1 1329421547 VMNZRYHINLLVJN-UHFFFAOYSA-N 296.279 -0.354 50 20 CBGD CN(C)CCCNC(=S)NNC(=O)c1cccnn1 1332065564 RSZAGKRKCGPTPL-UHFFFAOYSA-N 282.373 -0.463 50 20 CBGD O=C(NNC(=O)C1(F)CCOCC1)c1cccnn1 1333133147 DZWSIVXYSUABQQ-UHFFFAOYSA-N 268.248 -0.244 50 20 CBGD Cc1ncnc(O)c1CCC(=O)NNC(=O)C1CC1 1337339384 QRCHNMYBCZBBOQ-UHFFFAOYSA-N 264.285 -0.019 50 20 CBGD COCCCNC(=O)NNC(=O)CO[C@@H]1CCOC1 1339908095 POUUBTSOKUIQLY-SECBINFHSA-N 275.305 -0.841 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H](C)[C@H]2CCC(=O)N2)n[nH]1 1348268253 ONFPVTDJGLUUKV-HTQZYQBOSA-N 279.300 -0.606 50 20 CBGD CS(=O)(=O)c1cccc(NNC(=O)[C@H]2CCNC2=O)c1 1350979612 HYNYFFSJAUYQJT-JTQLQIEISA-N 297.336 -0.331 50 20 CBGD N[C@H]1C[C@H](NC(=O)NNC(=O)[C@H]2CCCCO2)C1 1580429990 FIWRNHPWIFRMAI-IWSPIJDZSA-N 256.306 -0.624 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)s1 1588869909 LLMUKTOHLBLDAY-UHFFFAOYSA-N 288.314 -0.742 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(=O)O)cn1 1594644787 NQFHYROKWGKCMX-APPZFPTMSA-N 293.279 -0.034 50 20 CBGD Cc1cc(NNC(=O)[C@H]2C[C@H]2C(=O)O)nc(N)n1 1600281595 IPSVMCUPXVCYDV-NTSWFWBYSA-N 251.246 -0.469 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1)C1CCCC1 1601556218 SBAVNKREGAUEMJ-BDAKNGLRSA-N 270.285 -0.044 50 20 CBGD CCOC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)n1 1604380954 RLAQFZQXCZKSLP-UHFFFAOYSA-N 277.244 -0.347 50 20 CBGD CSCCNC(=S)NNC(=O)[C@H]1C[C@H]1C(=O)O 1607397925 BHXNOCVMMLEPOT-NTSWFWBYSA-N 277.371 -0.435 50 20 CBGD O=C(CCn1cncn1)NNC(=O)NCc1ccco1 49162657 DUBVTNWHOBTKQH-UHFFFAOYSA-N 278.272 -0.208 50 20 CBGD O=C(CN1CC[C@H](CO)C1)NNC(=O)c1cccs1 51887352 PSTOVJOCASSEQM-VIFPVBQESA-N 283.353 -0.177 50 20 CBGD CCn1c(=O)n(CC(=O)NNC(=O)NC)c2ccccc21 56375736 NMQMPLHTCGLDMD-UHFFFAOYSA-N 291.311 -0.217 50 20 CBGD CN(NC(=O)c1cnn(C)c1-n1cccc1)C(N)=O 181091942 HGBKWUWPPYWHMQ-UHFFFAOYSA-N 262.273 -0.134 50 20 CBGD COC(=O)COCC(=O)NNC(=O)c1ccccc1 287051327 JCAXVAONRARKGB-UHFFFAOYSA-N 266.253 -0.363 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=O)c1c[nH]nc1C 491342501 RGJLALCUQSWZMA-UHFFFAOYSA-N 269.261 -0.823 50 20 CBGD CCOC(=O)NNS(=O)(=O)N1CCCCC1 491614986 IHKDYSRMOMFNPT-UHFFFAOYSA-N 251.308 -0.032 50 20 CBGD Cc1nc(CN(C)C(=O)c2ccc(B(O)O)c(F)c2)no1 584970848 HUZZSIMKKTUIJV-UHFFFAOYSA-N 293.063 -0.531 50 20 CBGD CC(C)N1CCC[C@H](NC(=O)c2ccc(B(O)O)cc2)C1 584975494 FDZNWRJFIQWMHT-AWEZNQCLSA-N 290.172 -0.031 50 20 CBGD O=C(NC[C@@H]1CC[C@@H](O)C1)c1ccc(B(O)O)c(F)c1 584980135 RLBCURKKGKSMEW-PSASIEDQSA-N 281.092 -0.604 50 20 CBGD CC[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(C)(C)O 584994018 CAKPDIDTXZLWPR-NSHDSACASA-N 283.108 -0.215 50 20 CBGD CC[C@H](C)N1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584996958 RZZQKYZTAPJORL-LBPRGKRZSA-N 290.172 -0.077 50 20 CBGD CCC1(CNC(=O)c2ccc(B(O)O)c(F)c2)COC1 584997230 YUNUTZSUFCSRQV-UHFFFAOYSA-N 281.092 -0.338 50 20 CBGD CC(C)(C)N1CC[C@H](NCc2cccc(B(O)O)c2)C1=O 585047851 HBFFQLHPXLZSGM-ZDUSSCGKSA-N 290.172 -0.145 50 20 CBGD CCNC(=O)c1ccc(N2CC[C@H](B(O)O)C2)nc1 585074124 UTKBXFQPGSAUOR-JTQLQIEISA-N 263.106 -0.116 50 20 CBGD CC1(OCC(=O)NNc2ccc(C(N)=O)nn2)CCC1 746289908 AKFVJPXQYLLDJF-UHFFFAOYSA-N 279.300 -0.022 50 20 CBGD C#CCOCCNC(=O)NNC(=O)[C@@H](C)OCCOC 753380454 ZMUBQZGCRGLHED-SNVBAGLBSA-N 287.316 -0.982 50 20 CBGD O=C(CO)NNC(=O)c1ccc2nsnc2c1 753445539 MDDXUQQGZRFAEE-UHFFFAOYSA-N 252.255 -0.555 50 20 CBGD CN(C)CC(=O)NNC(=O)Cc1ccc(C(N)=O)cc1 754208237 UGKAAIPYVGZFRS-UHFFFAOYSA-N 278.312 -0.963 50 20 CBGD Cc1csc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)n1 755700660 YYTVYUQFQRWVGU-SSDOTTSWSA-N 290.370 -0.161 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NC[C@H]1CCCS1(=O)=O 765769207 TYRIIDDRKUIHDS-MRVPVSSYSA-N 291.373 -0.060 50 20 CBGD CN(NC(=O)CNC(=O)c1cccc(O)c1)C(N)=O 779041123 NHJXTKRNJGBDHD-UHFFFAOYSA-N 266.257 -0.836 50 20 CBGD CCn1ccnc1C=NNC(=O)NCC(=O)OC 779820597 GLTJISMRMBTZKK-UHFFFAOYSA-N 253.262 -0.291 50 20 CBGD COC(=O)CNC(=O)NN=C1C(=O)Nc2c(F)cccc21 779823156 NDSDOGWHUVCVJW-UHFFFAOYSA-N 294.242 -0.046 50 20 CBGD O=C(NN=c1cc[nH]cc1)[C@H]1CC(=O)N(C2CC2)C1 780761110 JDGNUTGVJARWRY-VIFPVBQESA-N 260.297 -0.043 50 20 CBGD NC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)NC2CC2)C1 786827487 OJNIEIFMCPMEJA-HTQZYQBOSA-N 268.317 -0.229 50 20 CBGD C=CCNC(=S)NNC(=O)C1(O)CCSCC1 798305554 UXBDMRILYUREMF-UHFFFAOYSA-N 275.399 -0.074 50 20 CBGD COC(=O)NNC(=O)Cn1nc(-c2ccccc2)oc1=O 798355110 TULWETHYIUXZEF-UHFFFAOYSA-N 292.251 -0.110 50 20 CBGD COC(=O)N(C)NC(=O)Cn1nnc2ccccc2c1=O 804121141 BXTHLASUUOAKSB-UHFFFAOYSA-N 291.267 -0.479 50 20 CBGD COCC(=O)N[C@H](C(=O)NNC(=O)CC1CC1)C(C)C 819104566 OGMDSQFDUYGZBO-LBPRGKRZSA-N 285.344 -0.279 50 20 CBGD CCN(CCO)NC(=O)Cn1c(=O)n(C)c2ccccc21 823841831 LFAKAFPVFZSGFH-UHFFFAOYSA-N 292.339 -0.315 50 20 CBGD CCN(CCO)NC(=O)[C@@H](C)OC[C@@H]1CCCO1 823852339 DMXRRXQTEXIBRJ-MNOVXSKESA-N 260.334 -0.084 50 20 CBGD CC(=O)Nc1cccnc1C(=O)NN(C)[C@H](C)CO 823902182 LSAJSJXLNJSXFK-MRVPVSSYSA-N 266.301 -0.003 50 20 CBGD CC(=O)N(C)CC(=O)NNc1ccc(-c2nn[nH]n2)cc1 823967145 JGIREIWIOSBBGK-UHFFFAOYSA-N 289.299 -0.212 50 20 CBGD CN(C)C(=O)NNC(=O)Cc1nnn(C(C)(C)C)n1 824627235 KQBPKTLDJILGPM-UHFFFAOYSA-N 269.309 -0.727 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCNC2=O)o1 829830434 ANZDDTVFERYUSP-SSDOTTSWSA-N 251.242 -0.515 50 20 CBGD O=C(O)NNC(=O)Nc1cnn(CC(=O)NC2CC2)c1 833280615 MZISRRUNXHLWFT-UHFFFAOYSA-N 282.260 -0.534 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 843660791 MBDYCXABLLIIBJ-WCTZXXKLSA-N 257.246 -0.776 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCN(C)C1=O 843970297 DFIBZGOMNGUXLV-YIZRAAEISA-N 269.301 -0.963 50 20 CBGD C[C@H](CNC(=O)NNC(=O)[C@@H]1CCCCO1)C(=O)O 848584280 SSAVANHLDZJNNY-SFYZADRCSA-N 273.289 -0.393 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2CCO[C@@H]2CN)n1 852841563 MHNMXRPCBNUXND-RKDXNWHRSA-N 281.316 -0.399 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)NCC[C@H](C)N)n1 857114018 IHMHAWGWHPAWSR-QMMMGPOBSA-N 282.348 -0.432 50 20 CBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)c1ccncc1 858089880 CTKFGWHGJIWTIE-JTQLQIEISA-N 264.285 -0.387 50 20 CBGD CC(C)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 858143119 FZRXNEINWFXKMN-SECBINFHSA-N 293.327 -0.424 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCOC(=O)N1 862094788 FFVWMIDOWWYQLX-BIIVOSGPSA-N 271.273 -0.943 50 20 CBGD O=C(CC[C@H]1CCCO1)NNC(=O)[C@@H]1CCC(=O)N1 862450880 CSXUETHYZMNLPO-BDAKNGLRSA-N 269.301 -0.628 50 20 CBGD CCOCCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862451198 JZQZAVJIVVXBIK-MRVPVSSYSA-N 257.290 -0.771 50 20 CBGD CCN1CCCC[C@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862453826 ZKICKKZNAMRYOW-ZJUUUORDSA-N 282.344 -0.713 50 20 CBGD CCN(CC)C(=O)CCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862455875 JYBSTICWRJMOCF-SECBINFHSA-N 298.343 -0.939 50 20 CBGD CC(C)[C@H](C)C(=O)NNC(=O)CS(C)(=O)=O 863463732 RVEHESNWLFUVIJ-ZETCQYMHSA-N 250.320 -0.530 50 20 CBGD COC(=O)C1(C)CN(C(=O)c2ccc(B(O)O)cc2)C1 863885017 UBHBUMQUAOZFCN-UHFFFAOYSA-N 277.085 -0.999 50 20 CBGD CC[C@@]1(C(=O)NNc2ncncc2F)CCNC1=O 868541716 WVKAZFYMECWQMF-LLVKDONJSA-N 267.264 -0.025 50 20 CBGD CO[C@H](C(=O)NNC(=O)c1cccnn1)C(C)C 882057531 XVJJYZDQPUVHME-VIFPVBQESA-N 252.274 -0.091 50 20 CBGD COCC1(S(=O)(=O)NNC(=O)NC(C)C)CC1 882685345 LMXKDYXHZGCRII-UHFFFAOYSA-N 265.335 -0.293 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cccc(-n2cnnn2)c1 910177415 LPWGBXAPUZQIIK-SECBINFHSA-N 276.300 -0.380 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1C[C@H]1C(=O)OCC 929243623 WQMCHALYMMUDNW-HTQZYQBOSA-N 271.342 -0.133 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H](C)N1CCCCC1 1318876676 MAPHYROZBODXMC-SECBINFHSA-N 286.332 -0.636 50 20 CBGD CN1CCC[C@H]1C(=O)N1CCN(C(=O)CCl)CC1 1319785927 OYUBLDBGINKONE-JTQLQIEISA-N 273.764 -0.010 50 20 CBGD CCc1nn(C)cc1C=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1319842242 HQWRZCWNRCOAPE-SECBINFHSA-N 298.368 -0.133 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H]1CCN(C)C1=O 1320366866 JEGUURJQUIAPPE-SSDOTTSWSA-N 258.347 -0.632 50 20 CBGD COc1ccc(OC)c(NC(=O)C(=O)NN(C)C(N)=O)c1 1320391424 WDNUSLUQBRXTDO-UHFFFAOYSA-N 296.283 -0.316 50 20 CBGD CNC(=O)NNC(=O)C(=O)c1ccccc1OC 1320467619 AESYTWZDGGBLTF-UHFFFAOYSA-N 251.242 -0.162 50 20 CBGD CCc1ncsc1NC(=O)C(=O)NNC(=O)CCO 1320520913 JCQJANKQXMYEKV-UHFFFAOYSA-N 286.313 -0.826 50 20 CBGD C[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)CC[S@@]1=O 1320759142 BXZHPQCKHPUGST-HOGDKLEQSA-N 287.385 -0.613 50 20 CBGD O=C(NCCC1(O)CCOCC1)NNC(=O)c1ccc[nH]1 1326886268 YDYCWALIMNYZLX-UHFFFAOYSA-N 296.327 -0.110 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCc2nccn2C1 1327619263 RXYXWENKUPEECP-VIFPVBQESA-N 293.327 -0.883 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1cc(O)cs1 1329586326 BAPZDFKXWWFFAL-UHFFFAOYSA-N 278.311 -0.741 50 20 CBGD CC(C)(C)n1nnc(C=NNC(=O)[C@H]2CCC(=O)N2)n1 1330143030 OUZUKHJWUIFREH-SSDOTTSWSA-N 279.304 -0.843 50 20 CBGD COC(OC)C(=O)NNC(=O)Cc1ccncc1 1331524423 FHURBKCEJAOVQU-UHFFFAOYSA-N 253.258 -0.610 50 20 CBGD COc1ccc(NC(=O)C(=O)NNC(C)=O)cc1 1337953892 RRNZGSMRINZHPX-UHFFFAOYSA-N 251.242 -0.199 50 20 CBGD O=C(NNC(=O)C1CC1)C(=O)Nc1ccc(F)cn1 1339256664 HKZWESNIIZCTRC-UHFFFAOYSA-N 266.232 -0.283 50 20 CBGD CSCC[C@H](O)C(=O)NNC(=O)C1CCOCC1 1339915108 QPGSTDSQALJACU-VIFPVBQESA-N 276.358 -0.326 50 20 CBGD O=C(CC1CC1)NNC(=O)CN1C(=O)CCC1=O 1347126384 LPVLEWQVHJKADE-UHFFFAOYSA-N 253.258 -0.917 50 20 CBGD CO[C@H]1CN[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2)C1 1574001867 KWXNQBISIIRJGF-NXEZZACHSA-N 279.300 -0.967 50 20 CBGD CC[C@H](C)[C@H](NC(C)=O)C(=O)NNC(=O)CCCN 1578230715 IVVBWKCBDUEUBZ-KWQFWETISA-N 272.349 -0.577 50 20 CBGD NC1(C(=O)NNC(=O)C2CCOCC2)CCCC1 1580139256 DQQRQNRPYIHUQC-UHFFFAOYSA-N 255.318 -0.168 50 20 CBGD O=C(CO)NNC(=O)Nc1cccc(C(=O)O)c1 1601330368 VEBOPJZJXPYCQF-UHFFFAOYSA-N 253.214 -0.470 50 20 CBGD O=C1CC[C@@H](C(=O)NN=Cc2cc(C(=O)O)co2)N1 1602638302 NSMQWXKDRLZXOE-QMMMGPOBSA-N 265.225 -0.294 50 20 CBGD CCCCNC(=O)NNC(=O)c1cn(CC(=O)O)nn1 1603648167 CJWXKAANWGKQJY-UHFFFAOYSA-N 284.276 -0.893 50 20 CBGD C[C@]1(CCNC(=O)NNC(=O)C(=O)O)CC1(F)F 1604572823 MVLCDCJIAHHEMR-QMMMGPOBSA-N 265.216 -0.163 50 20 CBGD CN(C)C(=O)NNC(=O)CC[C@@H]1C[C@H](C(=O)O)CO1 1606001963 JDMSUADDYOXCGU-JGVFFNPUSA-N 273.289 -0.441 50 20 CBGD O=C(O)COCC(=O)NNC(=O)Cc1ccccc1F 1606272736 FCFPVXXMMKNJHD-UHFFFAOYSA-N 284.243 -0.383 50 20 CBGD O=C(COc1ccccc1-c1nn[nH]n1)NN=C1COC1 1609533300 OXFQXTGNPOSKJS-UHFFFAOYSA-N 288.267 -0.252 50 20 CBGD CCc1ccc(NC(=O)C(=O)NNC(=O)C(=O)O)cc1 1610062318 CEGPTQDHPDBMSW-UHFFFAOYSA-N 279.252 -0.581 50 20 CBGD Cc1cccnc1C(=O)NNC(=O)[C@H](C)C(=O)O 1611210112 VDZKFRAJCDVEGL-ZETCQYMHSA-N 251.242 -0.128 50 20 CBGD CCOC(=O)NNC(=O)Cn1nc2n(c1=O)CCCCC2 29440384 ZFWXTEYOQZFTEK-UHFFFAOYSA-N 297.315 -0.452 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 48949720 SEOIOKDSJUDMJD-QUBYGPBYSA-N 272.330 -0.599 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc2c(c1)[nH]c(=O)n2C 113423448 ALPGEICCRVXJHK-UHFFFAOYSA-N 291.311 -0.811 50 20 CBGD CC(C)(C)C(=O)NCC(=O)NNC(=O)C(C)(C)O 276199084 FOHLHOWYVODKDV-UHFFFAOYSA-N 259.306 -0.933 50 20 CBGD Cc1cccc(C(=O)NNC(=O)C2(S(C)(=O)=O)CC2)n1 279870009 VXNSTMOILDERMU-UHFFFAOYSA-N 297.336 -0.272 50 20 CBGD COc1cccc(NNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)n1 281350604 WTLQKVFUDMRNEC-SFYZADRCSA-N 280.284 -0.434 50 20 CBGD COC(=O)N1CCC(=NNC(=O)CN2CCCC2=O)CC1 490673593 HQYVRSRODVEKLB-UHFFFAOYSA-N 296.327 -0.057 50 20 CBGD C[C@H]1CCCN(C(=O)C(=O)Nc2cccc(B(O)O)c2)C1 584914337 VBSMGCDBBUQLHX-JTQLQIEISA-N 290.128 -0.437 50 20 CBGD CN1CCC(CN(C)C(=O)c2cccc(B(O)O)c2)CC1 584942121 IFTLPUABBIXVBT-UHFFFAOYSA-N 290.172 -0.220 50 20 CBGD CCC(=O)N1CC[C@H](NC(=O)c2ccc(B(O)O)cc2)C1 584959217 DXMHEQGHEUCHFS-LBPRGKRZSA-N 290.128 -0.893 50 20 CBGD CCNC(=O)C(C)(C)CNC(=O)c1cccc(B(O)O)c1 584965735 VUBMRAUUGPXOOY-UHFFFAOYSA-N 292.144 -0.742 50 20 CBGD C[C@@H](C[S@@](C)=O)N(C)C(=O)c1cccc(B(O)O)c1 584973170 MNGPLBVJSBMOAH-ZRNGKTOUSA-N 283.158 -0.795 50 20 CBGD CC(F)(F)CNC(=O)c1cc(B(O)O)ccc1F 584993500 WFDPZXXNSUMIBL-UHFFFAOYSA-N 261.008 -0.110 50 20 CBGD CCN1CCCC[C@@H]1CNCc1ccc(B(O)O)o1 585023366 KJUDOLRUMXKMQR-LLVKDONJSA-N 266.150 -0.077 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCc3n[nH]cc3C2)o1 585030776 ZSSRNQYSLYBPST-SECBINFHSA-N 261.090 -0.670 50 20 CBGD OB(O)c1ccc(CN[C@@H]2COc3ccccc3[C@H]2O)o1 585040391 DXCYHYRUJPBUBE-BXUZGUMPSA-N 289.096 -0.456 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCc3nc[nH]c3C2)o1 585040762 IWYHXYVBRHOSJW-MRVPVSSYSA-N 261.090 -0.670 50 20 CBGD O=S(=O)(NCB(O)O)c1cccc(F)c1F 585056509 WWFFAOJCDLZJKG-UHFFFAOYSA-N 251.019 -0.745 50 20 CBGD CO[C@@H](Cc1ccccc1)CS(=O)(=O)NCB(O)O 585057049 JEKHOCTYHAPCBG-NSHDSACASA-N 287.146 -0.825 50 20 CBGD O=S(=O)(C[C@H]1CCCCO1)N1CC[C@@H](B(O)O)C1 585057692 JHNPXGQUMYGXDF-NXEZZACHSA-N 277.151 -0.566 50 20 CBGD O=C(NCB(O)O)C1=Cc2cc(F)ccc2OC1 585062023 BPNKNKXHYKGGDJ-UHFFFAOYSA-N 251.022 -0.270 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1cccc(C#N)c1 728825505 FCLOLUUBQSTKFO-UHFFFAOYSA-N 281.293 -0.636 50 20 CBGD CC(C)CC(=O)NNC(=O)N[C@@H](C)CN1CCN(C)CC1 730130294 JLCOCMCNVQUPOJ-LBPRGKRZSA-N 299.419 -0.001 50 20 CBGD Cn1cc(C(=O)NNC(=O)CN2CCSC2=O)cn1 735445061 CQYJLORCZKKURO-UHFFFAOYSA-N 283.313 -0.650 50 20 CBGD O=C(Cn1cc([N+](=O)[O-])cn1)NNc1cccnn1 736701970 NYQPXNIBYRFLHR-UHFFFAOYSA-N 263.217 -0.275 50 20 CBGD CC(=O)N[C@@H](C(=O)NNC(=O)N1CCOCC1)C(C)C 745996087 LZZQUZOGKLTRBV-SNVBAGLBSA-N 286.332 -0.780 50 20 CBGD CCO[C@H]1CCCC1=NNC(=O)[C@@H](C)NS(C)(=O)=O 766446384 HRGYNKZTUMRJML-SCZZXKLOSA-N 291.373 -0.015 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCc1cnn(C)c1 772033690 AVJBOYHBAYEALQ-SECBINFHSA-N 296.327 -0.158 50 20 CBGD CC(C)C[C@H](C(=O)NNC(=O)CO)N1CCCCC1=O 777782687 JXAFTVABGNPOTA-SNVBAGLBSA-N 285.344 -0.447 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)C[C@H](C)C(=O)OC 782477976 FALCKPVBPSCAMS-ZETCQYMHSA-N 281.334 -0.709 50 20 CBGD CN1CCN(C(=O)NNC(=O)Cc2cncs2)CC1 807384017 VAXBSGNPGDVENR-UHFFFAOYSA-N 283.357 -0.326 50 20 CBGD O=C(C[C@H]1CCCC(=O)N1)NNC(=O)c1ccccn1 809537615 ABBZMQLDHGJJJO-SECBINFHSA-N 276.296 -0.099 50 20 CBGD CC(Cn1cccn1)=NNC(=O)Cc1cc(O)nc(O)n1 814860366 QPEOMIAKDTWQJG-UHFFFAOYSA-N 290.283 -0.181 50 20 CBGD CC[C@@H]1CN(C)CCN1CC(=O)NNC(=O)C(C)C 823189562 HTGFGHXTKLWDML-LLVKDONJSA-N 270.377 -0.184 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1C 823474410 IVGNVFAGCVIHNH-XHNCKOQMSA-N 269.301 -0.820 50 20 CBGD Cc1ccc(NNC(=O)N[C@H]2CCC(=O)N(C)C2=O)nn1 823905834 NEUIAGFYXFVASD-QMMMGPOBSA-N 292.299 -0.441 50 20 CBGD C[C@@H]1CC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)CO1 842524852 IJMJJRAOTXKURX-SFYZADRCSA-N 275.330 -0.363 50 20 CBGD COC(=O)NNS(=O)(=O)C[C@@H](OC)C(C)C 842573847 PHLMPURYFSHQDW-SSDOTTSWSA-N 254.308 -0.152 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2[C@H]3CNC[C@H]32)n1 843441676 IAPFRIQQYNAPNR-MBTKJCJQSA-N 263.301 -0.298 50 20 CBGD COCCN(C)NC(=O)Cc1nc(C2CC2)nn1C 843882536 PXNSAKQXIASZMF-UHFFFAOYSA-N 267.333 -0.156 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)Cc1ccncc1 844415202 PQSOMBLXHPVBMM-UHFFFAOYSA-N 292.339 -0.066 50 20 CBGD CCn1c(O)nc2ccc(C(=O)NNC(=O)CO)cc21 848372793 FPQNHAKLWSBEAZ-UHFFFAOYSA-N 278.268 -0.485 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ccc(C#N)o2)CC1 854382736 KHRZDXYXWDFBPV-UHFFFAOYSA-N 277.284 -0.247 50 20 CBGD CN(C)N(C(=O)[C@@H](O)C1CC1)[C@H]1CCS(=O)(=O)C1 854517129 XKIDUJIPLGVCPX-UWVGGRQHSA-N 276.358 -0.750 50 20 CBGD O=C(NNC(=O)[C@H]1CCNC1=O)c1cc(Cl)ccc1O 856773222 TUZPBDXNALZKBD-ZETCQYMHSA-N 297.698 -0.057 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCCCOC(F)F)N1 858431170 PQMSZKPCBMWVSX-ZCFIWIBFSA-N 294.258 -0.775 50 20 CBGD CCn1nncc1CNC(=O)NNc1ccncn1 858646241 OHDFCKGAKDKRSI-UHFFFAOYSA-N 262.277 -0.086 50 20 CBGD C[C@@H](C(=O)NNC(=O)C1CCC1)[C@H]1CCC(=O)N1 859329234 ZEHKPKASQGMTHX-VXNVDRBHSA-N 253.302 -0.151 50 20 CBGD CCS(=O)(=O)N[C@H](C)C(=O)NN[C@H](C)C(F)(F)F 862319911 MNAKIGSVGGUIJC-PHDIDXHHSA-N 291.295 -0.114 50 20 CBGD C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862460644 IYKDAGYBQWFBBB-VGMNWLOBSA-N 267.285 -0.997 50 20 CBGD CO[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)C(C)C 862462657 ZKJWBAUKDXTREH-VXNVDRBHSA-N 257.290 -0.917 50 20 CBGD O=C(NNC(=O)[C@H]1CCCc2nn[nH]c21)c1cn[nH]c1 862470085 ZMSLUADBYGSSRJ-ZETCQYMHSA-N 275.272 -0.591 50 20 CBGD CCOC(=O)C(C)(C)C(=O)NNC(=O)c1cn[nH]c1 862472837 UHYDWVVOSDUNIK-UHFFFAOYSA-N 268.273 -0.240 50 20 CBGD CC[C@@H](SC)C(=O)NNC(=O)CS(C)(=O)=O 863464679 SCEVPGLHWMSSIF-ZCFIWIBFSA-N 268.360 -0.680 50 20 CBGD COC[C@H]1CCCN1NC(=O)c1cccc(B(O)O)c1 863887007 BSABPZPDWKPMKD-GFCCVEGCSA-N 278.117 -0.878 50 20 CBGD CN1C(=O)C[C@H](NS(=O)(=O)CC(C)(C)CCl)C1=O 867239950 YZHWQCHSAHTQKK-ZETCQYMHSA-N 296.776 -0.072 50 20 CBGD COCCOCC(=O)NNC(=O)C(C)(C)SC 869903057 HTRBONJSUVFNSI-UHFFFAOYSA-N 264.347 -0.062 50 20 CBGD COCCCNC(=S)N(C)NC(=O)CN1CCCC1 873834415 NOPMMWYLBKEMPV-UHFFFAOYSA-N 288.417 -0.044 50 20 CBGD COC(=O)COCC(=O)NNc1ccc(F)cn1 874648483 QUOHPOWOOPBNSS-UHFFFAOYSA-N 257.221 -0.147 50 20 CBGD COC(=O)N1CCC[C@H](NCc2cccc(B(O)O)c2)C1 876996908 HSOVAZXWRKWXJQ-ZDUSSCGKSA-N 292.144 -0.313 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)CCn1ccnn1 899991820 ARPIUHCZBCXRCT-UHFFFAOYSA-N 270.362 -0.038 50 20 CBGD CC[C@H](O)[C@H](C)C(=O)NNC(=O)NCCCOC 900385023 PJMKSFUSNYXFAB-IUCAKERBSA-N 261.322 -0.240 50 20 CBGD C[C@H](O)CN(C)NC(=O)C1(S(C)(=O)=O)CCC1 910150331 PTKQACJQGJDAGN-QMMMGPOBSA-N 264.347 -0.703 50 20 CBGD COCCCNC(=O)NNC(=O)C[C@@H]1CCOC1 1116114588 WBKWIHZJWUHMKH-VIFPVBQESA-N 259.306 -0.220 50 20 CBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cnn(C)c1C 1116621318 XZEYJGKRNWYGMH-SSDOTTSWSA-N 281.316 -0.139 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cnc2n(c1=O)CCS2 1254390401 IHBZXFXDZSBTFW-UHFFFAOYSA-N 297.340 -0.345 50 20 CBGD CC[C@](C)(C#N)C(=O)NNC(=O)CS(C)(=O)=O 1261835476 WYNAJLMJBSKBQB-SECBINFHSA-N 261.303 -0.882 50 20 CBGD COc1ccnc(NNC(=O)c2c([N+](=O)[O-])cnn2C)n1 1319750631 ACZBIZFFMHLHDY-UHFFFAOYSA-N 293.243 -0.116 50 20 CBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccon1 1320357373 OSVMJRFJIXRTMY-ZCFIWIBFSA-N 254.246 -0.193 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@]1(O)CCSC1 1323198216 VPGFGYPMLYTZBM-VIFPVBQESA-N 263.388 -0.242 50 20 CBGD O=C(NNC(=O)C1CCC(O)CC1)C(=O)N1CCCC1 1324954642 PDYYWPOPYHNMAC-UHFFFAOYSA-N 283.328 -0.693 50 20 CBGD NC(=O)COc1ccc(C(=O)NNc2nc[nH]n2)cc1 1325023833 YUVYXOLWROEDGY-UHFFFAOYSA-N 276.256 -0.574 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CNC(C)(C)C 1327168206 OJZCLVUHCBLXES-DTWKUNHWSA-N 257.334 -0.053 50 20 CBGD O=C1OCCN1CCOc1ccc(B(O)O)cc1 1331271428 MYZGSDSOYOPMKL-UHFFFAOYSA-N 251.047 -0.803 50 20 CBGD Cc1nnc(CC(=O)NNC(=O)Cc2cc[nH]n2)s1 1333957798 ZZWFTUGVTDVJPK-UHFFFAOYSA-N 280.313 -0.498 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1cc(CC)nn1C 1338005331 PSLHFIHVAYQVMQ-UHFFFAOYSA-N 283.288 -0.302 50 20 CBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)c1cccn1C 1520747539 QBUTVUOQIVPJFB-CMPLNLGQSA-N 291.355 -0.826 50 20 CBGD COC(OC)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 1591335009 TWLXZYUVHWFBLG-UHFFFAOYSA-N 278.272 -0.071 50 20 CBGD O=C(NNc1cccnn1)N[C@H]1C[C@H](C(=O)O)C1 1594782265 VKZIVIXQFWFJTK-LJGSYFOKSA-N 251.246 -0.034 50 20 CBGD O=C(O)c1cnc(C(=O)NNc2ccncn2)cn1 1595267002 XNXIZWFMDIBTBY-UHFFFAOYSA-N 260.213 -0.278 50 20 CBGD CN(CCNC(=O)/C(C#N)=C/c1cnn(C)c1)CC(=O)O 1598488528 BYXQJEPHLSJVQK-VZUCSPMQSA-N 291.311 -0.540 50 20 CBGD COCCN(CC(C)C)NC(=O)COCC(=O)O 1604597516 HUCLKHWADXUMCV-UHFFFAOYSA-N 262.306 -0.277 50 20 CBGD CNC(=O)C(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1 1604872580 NZJUPNGAKAUXAQ-UHFFFAOYSA-N 295.690 -0.291 50 20 CBGD COC(=O)NCC(=O)NNc1ccc(-c2nn[nH]n2)cc1 1609300633 ABUMSRFDKNLUFQ-UHFFFAOYSA-N 291.271 -0.334 50 20 CBGD CS(=O)(=O)CC(=O)NN=Cc1ccc(C(=O)O)nc1 1776096978 AOKOJNJFCRQISW-UHFFFAOYSA-N 285.281 -0.726 50 20 CBGD O=C(Cc1cccnc1)NNS(=O)(=O)N1CCCC1 266056171 TUEOAEVBBKUCCX-UHFFFAOYSA-N 284.341 -0.415 50 20 CBGD CC1=C(C(=O)NNc2ncccn2)Cn2nnnc2N1C 373918521 DRXXFCFRSHOSRC-UHFFFAOYSA-N 287.287 -0.670 50 20 CBGD CO[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)C[C@H]1O 395404783 DKLOGWMNLBUUAC-VXGBXAGGSA-N 293.323 -0.861 50 20 CBGD CCn1nc(C)c(C(=O)Nc2cccc(B(O)O)c2)n1 584912895 XJPJANDRSPPJTF-UHFFFAOYSA-N 274.089 -0.461 50 20 CBGD CC[C@H](C)NC(=O)CCNC(=O)c1ccc(B(O)O)cc1 584934318 RVFKDYLVXXNOFB-JTQLQIEISA-N 292.144 -0.599 50 20 CBGD CC(C)COC[C@H](O)CNC(=O)c1cccc(B(O)O)c1 584963261 WYBMPXJEPZNTCO-CYBMUJFWSA-N 295.144 -0.870 50 20 CBGD CC1(C)CN(CCNCc2cccc(B(O)O)c2)CCO1 585021724 CMSINAZJXXPYCP-UHFFFAOYSA-N 292.188 -0.433 50 20 CBGD CNC(=O)[C@H]1CCCC[C@H]1NCc1ccc(B(O)O)o1 585029909 LWCLCDSHBSSKLC-WDEREUQCSA-N 280.133 -0.646 50 20 CBGD Cc1cnc(CCNCc2ccccc2B(O)O)nc1 585031796 KCFMXOFZGLHMGP-UHFFFAOYSA-N 271.129 -0.203 50 20 CBGD O=S(=O)(Cc1c(F)cccc1Cl)NCB(O)O 585057078 KCFQPPALBRYLMS-UHFFFAOYSA-N 281.501 -0.090 50 20 CBGD O=C(NNc1nc(-c2cccnc2)no1)[C@@H]1COCCO1 728077656 YVWJFEXNNQATPY-VIFPVBQESA-N 291.267 -0.010 50 20 CBGD COc1ncnc(OC)c1C(=O)NNC(=O)C(C)C 732053890 JVATZTQQOWPYRM-UHFFFAOYSA-N 268.273 -0.089 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CCC(=O)NC 732199535 ORAPFJCJPGSMQO-MRVPVSSYSA-N 258.322 -1.000 50 20 CBGD CN(C)CCC(=O)NNC(=S)NC[C@H]1CCOC1 749637513 AHUNMNYFRJYLSY-SECBINFHSA-N 274.390 -0.530 50 20 CBGD CN(C)CC(=O)NNC(=O)C(F)(F)c1nccs1 757667283 YVUMARMQBYXDSF-UHFFFAOYSA-N 278.284 -0.056 50 20 CBGD COc1cc(F)ccc1NC(=O)C(=O)NNC(C)=O 763518340 USTDOZRJNCNZHX-UHFFFAOYSA-N 269.232 -0.060 50 20 CBGD CCCOCC(=O)O[C@H](C)C(=O)NNC(=O)CC 772053111 RMGOZJYVTVGDLF-MRVPVSSYSA-N 260.290 -0.098 50 20 CBGD C[C@H](C[S@](C)=O)NC(=O)NNC(=O)C1CCC1 784534463 ALKHABGZNZIRTR-GJEGPGMTSA-N 261.347 -0.116 50 20 CBGD C=C(CO)C(=O)NNC(=O)Cc1ccccc1OC 792798131 LVTMMBAMFXQQCX-UHFFFAOYSA-N 264.281 -0.066 50 20 CBGD O=C(Cn1cnnn1)NNc1ccc2c(=O)[nH]ccc2c1 803437442 MGCFDTGKTXJTJD-UHFFFAOYSA-N 285.267 -0.342 50 20 CBGD CC(=O)NCC(=O)NCC(=O)NCC(Cl)Cl 808131977 YVVUQHWLBUZQJH-UHFFFAOYSA-N 270.116 -0.841 50 20 CBGD COCC1(C(=O)NNC(=O)C2CC2)CCOCC1 809949973 IHKXQHMYRWZGCK-UHFFFAOYSA-N 256.302 -0.013 50 20 CBGD Cc1cccc(C(=O)NNC(=O)c2ncn(C)n2)n1 810712826 DPUGMRUCSKZHSW-UHFFFAOYSA-N 260.257 -0.407 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1nccs1 814835048 FPMDIJWMNWZEIB-LURJTMIESA-N 276.343 -0.469 50 20 CBGD CCN(CCC(=O)O)CC(=O)NNC(=O)C(C)(C)C 829701592 IKLFOHRHEJPPRX-UHFFFAOYSA-N 273.333 -0.024 50 20 CBGD COc1ccc(NNC(=O)[C@@H]2CCNC2=O)nc1 832645813 LOHCYLSSZBVDOW-MRVPVSSYSA-N 250.258 -0.331 50 20 CBGD COC(=O)NCCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843651815 PCPPNWXGWXMMMA-SFYZADRCSA-N 273.289 -0.695 50 20 CBGD CC(=O)OC(C)(C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843970788 LGQCGCCPAGDVEO-APPZFPTMSA-N 272.301 -0.100 50 20 CBGD CN(CC(Cl)Cl)C(=O)[C@@H]1CC(=O)NC(=O)N1 854480878 MPJLPNYKAKUWNT-BYPYZUCNSA-N 268.100 -0.153 50 20 CBGD Cc1nc(Cl)cc(NNC(=O)[C@@H]2CC(=O)NC(=O)N2)n1 854957075 RNWMQMXXHZUWFQ-YFKPBYRVSA-N 298.690 -0.520 50 20 CBGD COC(=O)COCCNC(=O)NNc1cccc(OC)n1 858831439 KGNQRGNOOPNCTO-UHFFFAOYSA-N 298.299 -0.094 50 20 CBGD Cn1cncc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1cn[nH]c1 862469596 PMDOTDAQYWUYRG-RKDXNWHRSA-N 274.284 -0.292 50 20 CBGD C[C@@H]1CC(=NNC(=O)CS(C)(=O)=O)CN1C1CC1 863187287 FWVAVNMSWUXCNO-MRVPVSSYSA-N 273.358 -0.240 50 20 CBGD CCOC(=O)COCCOc1ccc(B(O)O)cc1 863865688 JRLDVLKPBNQYDZ-UHFFFAOYSA-N 268.074 -0.675 50 20 CBGD Cc1cc(C)n(CCC(=O)N2CC[C@@H](B(O)O)C2)n1 864230967 HOIIPJOESRITQZ-LLVKDONJSA-N 265.122 -0.035 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H](C)[C@@H](C)COC 869904419 YDWOZTOOGZRARH-UWVGGRQHSA-N 276.333 -0.285 50 20 CBGD CCOCC1(C(=O)NNC(=O)COCCOC)CC1 869904670 DYNSKTUFJKHZNB-UHFFFAOYSA-N 274.317 -0.387 50 20 CBGD COCCOCC(=O)NN=C(C)c1cnn(C)n1 872399862 JYAYGDKOKGLKNA-UHFFFAOYSA-N 255.278 -0.682 50 20 CBGD CN1C(=O)[C@@H]2CN(S(=O)(=O)CCCCl)C[C@@H]2C1=O 882499085 IXJKEXZPYOQGRO-OCAPTIKFSA-N 294.760 -0.508 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1CCCN1C1CC1 913732975 QRGSTRFFTCUESN-LLVKDONJSA-N 294.355 -0.617 50 20 CBGD Cc1cc(C=NNC(=O)CS(C)(=O)=O)nn1C 1118894104 YMDTUKRVBRSKGM-UHFFFAOYSA-N 258.303 -0.777 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](C)c1cccnc1 1252439469 YMLYUHNXXKTKRC-SSDOTTSWSA-N 266.257 -0.354 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCCCC2(O)CCC2)N1 1261791412 PXHJLANGOZMANU-SECBINFHSA-N 298.343 -0.709 50 20 CBGD COC(=O)C(=O)NN=C1C(=O)Nc2cc(O)ccc21 1318911510 LOTNNQNFVSINIF-UHFFFAOYSA-N 263.209 -0.662 50 20 CBGD Cc1c(NC(=O)C(=O)NNC(=O)CC(C)C)cnn1C 1320234587 IGKAMSAIDVUPSO-UHFFFAOYSA-N 281.316 -0.139 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(OC)ncn1 1320595929 IPNIKZRIUNKEPK-UHFFFAOYSA-N 296.287 -0.884 50 20 CBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1 1320900909 JDFVWOXNJXCBIB-UHFFFAOYSA-N 299.670 -0.401 50 20 CBGD Cc1nccc(C(=O)NNc2ccc(C(N)=O)nn2)n1 1323771987 XBNLPBUAXVPNLM-UHFFFAOYSA-N 273.256 -0.569 50 20 CBGD O=C(NNC(=O)[C@]1(F)CCOC1)[C@H]1CCCCO1 1324745430 WUYFTNCHFBUURO-KCJUWKMLSA-N 260.265 -0.169 50 20 CBGD Cc1nc(O)[nH]c1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1326811490 FBSYOKANTBLUSY-NKWVEPMBSA-N 268.273 -0.390 50 20 CBGD C=CCOCCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 1327538020 NNNGFUJANZPTNK-UWVGGRQHSA-N 271.317 -0.056 50 20 CBGD Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](B(O)O)C1 1329291814 GSWAYQNSDBDDTB-QMMMGPOBSA-N 282.065 -0.825 50 20 CBGD CC(=O)NNC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F 1332407321 GKHOEUVFAXCURT-RITPCOANSA-N 288.247 -0.623 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1=CCOCC1 1332467170 BREFIWHLRGDRQB-WCBMZHEXSA-N 254.286 -0.095 50 20 CBGD Cn1ncc(C(=O)N2CC[C@H](B(O)O)C2)c1C1CC1 1335433450 QCIPKJTVCANXQK-VIFPVBQESA-N 263.106 -0.014 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cnn2c1NC[C@@H](C)C2 1347173181 MKUDRISXPVTSJG-BDAKNGLRSA-N 267.333 -0.098 50 20 CBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)[C@@H]1CCCCO1 1348695713 LGHKSAOLPGJGDL-WOPDTQHZSA-N 296.371 -0.909 50 20 CBGD CO[C@]1(C(=O)NN=c2cc[nH]cc2)CCS(=O)(=O)C1 1353989323 JYIGZSFLNINLDV-LLVKDONJSA-N 285.325 -0.850 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCN2)c(-c2ccco2)n1 1579953025 DLOJWNMQTVOGSQ-SECBINFHSA-N 289.295 -0.197 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@@]12CCCNC2)c1cnsn1 1580732828 KIRCVCMIDNGZEK-RDDDGLTNSA-N 281.341 -0.311 50 20 CBGD Cc1cccc(OCC(=O)NNC(=O)COCC(=O)O)c1 1594408720 SDDJFOPLKXTQQB-UHFFFAOYSA-N 296.279 -0.378 50 20 CBGD O=C(Cn1cc(C(=O)O)cn1)NNc1cccnn1 1601379583 ZEKQAFGKHFHIRP-UHFFFAOYSA-N 262.229 -0.485 50 20 CBGD CN(C)CC(=O)NNC(=O)C1(C(=O)O)CC=CC1 1604057731 POVOCGBJMDWRLI-UHFFFAOYSA-N 255.274 -0.884 50 20 CBGD COC(=O)[C@H](NNC(=O)C(=O)O)c1cccnc1 1610158852 YQDAITASTDHIDD-SSDOTTSWSA-N 253.214 -0.999 50 20 CBGD CCOCC(=O)NNC(=O)NCCCn1cccn1 66699013 ZJIAUKGDAJELAW-UHFFFAOYSA-N 269.305 -0.360 50 20 CBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NN(C)C(N)=O 271244776 CLJJPIUUYIFOBF-ZCFIWIBFSA-N 260.294 -0.059 50 20 CBGD C[C@H]1CN(CCC(=O)NNC(=O)c2nc[nH]n2)C[C@H](C)O1 272723652 YDPXBKQSEYGHOP-IUCAKERBSA-N 296.331 -0.935 50 20 CBGD CSSCCNC(=O)C(=O)NCC(=O)N(C)C 285145451 JELKSOASVOGPKQ-UHFFFAOYSA-N 279.387 -0.682 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)[nH]n1 290607071 VWEWCRGKXGKYMB-WCABBAIRSA-N 294.311 -0.469 50 20 CBGD COC(=O)NNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 490597828 NKJHEZQBTYESLV-UHFFFAOYSA-N 277.236 -0.087 50 20 CBGD CCC[C@@](C)(O)CNC(=O)c1cc(B(O)O)ccc1F 584954820 OXJBVFAMKLTGAW-CYBMUJFWSA-N 283.108 -0.214 50 20 CBGD CN1CC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@H]21 584971295 OIVDZLTWZHIOPI-BXUZGUMPSA-N 288.156 -0.467 50 20 CBGD CC[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@H](O)CC 584997162 WTCQEMZPSKMTAE-NWDGAFQWSA-N 283.108 -0.215 50 20 CBGD CNC(=O)[C@@H]1CCCC[C@H]1NCc1cccc(B(O)O)c1 585029365 FWXVORRJLPOFBD-ZIAGYGMSSA-N 290.172 -0.239 50 20 CBGD NC(=O)C1(CNCc2ccccc2B(O)O)CCCC1 585032392 HETQPZLZSOHKGO-UHFFFAOYSA-N 276.145 -0.498 50 20 CBGD CCO[C@@H]1COCC[C@@H]1NCc1ccc(B(O)O)cc1 585034971 ODOXOUSQAFVVIC-UONOGXRCSA-N 279.145 -0.350 50 20 CBGD O=C(NCB(O)O)[C@H]1Cc2cc(Cl)ccc2O1 585060574 GWXQPLSKXWKIIV-SECBINFHSA-N 255.466 -0.228 50 20 CBGD C[C@@H](CN1CCN(C)CC1)NC(=O)NNc1ncccn1 730133617 CAPOLCFPJUOKST-NSHDSACASA-N 293.375 -0.261 50 20 CBGD C[C@H]1OCCC1=NNC(=O)C(=O)NN=C1CCO[C@@H]1C 747736905 SISVWMNKRFKZOU-HTQZYQBOSA-N 282.300 -0.452 50 20 CBGD COc1ccc(NC(C)=O)cc1NC(=O)NNC(=O)CO 755499405 CQCRRBZHXMOHLN-UHFFFAOYSA-N 296.283 -0.201 50 20 CBGD COC[C@H](C)CC(=O)NNc1nccn(C)c1=O 755832234 MMDKUVONDCEMGS-MRVPVSSYSA-N 254.290 -0.104 50 20 CBGD CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1cnn(C)c1 756646386 VTPDYKXQBFAPLA-NSHDSACASA-N 293.327 -0.418 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cnn3ncccc23)n[nH]1 765476055 JRGVNVIJNKKTSB-UHFFFAOYSA-N 285.267 -0.164 50 20 CBGD CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NNC(=O)C(C)C 765785632 ZGMHGWGFVSNFHJ-IUCAKERBSA-N 270.333 -0.113 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CSCC#N 771991349 YALSEPMDVGHDAL-ZETCQYMHSA-N 273.314 -0.268 50 20 CBGD COc1ccnc(NNC(=O)C2(O)CCOCC2)n1 772132964 HCPWLEPNXNRJQI-UHFFFAOYSA-N 268.273 -0.530 50 20 CBGD C#CCOCCC(=O)O[C@H](C)C(=O)NNC(=O)CC 772216940 DRRRRQOPCAPMJR-SECBINFHSA-N 270.285 -0.485 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCC#N)n1 787366292 NIUUBECZYGHMAA-UHFFFAOYSA-N 264.289 -0.256 50 20 CBGD CC[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)C(=O)OC 790597807 UEFDBECUCASYIZ-QMMMGPOBSA-N 268.273 -0.701 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)c1cc([N+](=O)[O-])n[nH]1 796138859 CPTUCKYDRNBQMG-UHFFFAOYSA-N 290.239 -0.283 50 20 CBGD CCC(CC)NC(=O)C(=O)NN=C1COCCOC1 814854632 QHZNWOAAHYGQMP-UHFFFAOYSA-N 271.317 -0.190 50 20 CBGD CN(NC(=O)c1cnc2c(c1)c(O)nc(=O)n2C)C1CC1 819643815 PRHYAQIPKDCSNI-UHFFFAOYSA-N 289.295 -0.227 50 20 CBGD CCN(CCO)NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 823842748 WMYSZUOUJMWODH-UHFFFAOYSA-N 291.307 -0.129 50 20 CBGD COC(=O)c1ccc(C(=O)NN(C)[C@H](C)CO)n1C 823923277 QNFGFCWJNKOHDT-MRVPVSSYSA-N 269.301 -0.231 50 20 CBGD CNS(=O)(=O)CCNC(=O)[C@]1(C)C[C@H]1Br 824059120 CNDOVEKYHITKDH-HTRCEHHLSA-N 299.190 -0.175 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)NC1CN(C(=O)O)C1 831563077 YYRYOYYFEJNJFC-UHFFFAOYSA-N 293.283 -0.683 50 20 CBGD Cc1onc(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1C#N 843980551 USOPCRNOXMHIRB-APPZFPTMSA-N 292.295 -0.030 50 20 CBGD O=S(=O)(CCl)N[C@@H](CO)C1CCOCC1 849390859 CDEXYOQQCZYSEB-QMMMGPOBSA-N 257.739 -0.110 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](COC)OC 850200379 AULNHPHIQFRTCL-HTQZYQBOSA-N 276.289 -0.863 50 20 CBGD Cc1nn(C)cc1CC(=O)NNC(=O)N1CCN(C)CC1 854381036 DASCZHPINJSWDH-UHFFFAOYSA-N 294.359 -0.741 50 20 CBGD CCC(CC)(CO)C(=O)NNC(=O)N1CCN(C)CC1 854382160 ZIDKMNWRUCETOF-UHFFFAOYSA-N 286.376 -0.227 50 20 CBGD COC(=O)N(C)NC(=O)c1sccc1S(N)(=O)=O 854409921 OFLNLSKRQXCNNT-UHFFFAOYSA-N 293.326 -0.262 50 20 CBGD CNC(=S)N(C)NC(=O)C1(O)CCSCC1 854922781 HQOXWVXBGZMPPW-UHFFFAOYSA-N 263.388 -0.288 50 20 CBGD CCN1CCO[C@@H](C(=O)NN(C)C(=S)NC)C1 854924187 GBKMCZHHUALYKL-MRVPVSSYSA-N 260.363 -0.826 50 20 CBGD Cn1cc([C@@H]2C[C@H]2C(=O)NNC(=O)c2cc[nH]n2)cn1 855355309 VZROLLHBHRDAAF-DTWKUNHWSA-N 274.284 -0.292 50 20 CBGD CS(=O)(=O)NCCC(=O)NNc1ncc(Cl)cn1 857355982 QZOXAHRQYNQZAB-UHFFFAOYSA-N 293.736 -0.488 50 20 CBGD C[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC(C)(C)O1 858696358 JOFMLKALRJXBGD-RKDXNWHRSA-N 298.343 -0.495 50 20 CBGD C=C(C)CN(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858697097 QAWLVQHLJXJOIZ-MRVPVSSYSA-N 254.290 -0.486 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCCC(F)(F)C2)N1 858702187 DDGLLYNACOCPHB-ZETCQYMHSA-N 290.270 -0.263 50 20 CBGD C=CC(=O)N(C)CC(=O)NNC(=O)NCCCC 858778413 IBTFHDVDIHFWNZ-UHFFFAOYSA-N 256.306 -0.239 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)[C@@H]2CCOC(=O)N2)n1 860727731 GWYLOPZIIUDLHS-BYPYZUCNSA-N 286.679 -0.346 50 20 CBGD CC[C@H](C)[C@H](OC)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862458208 AJDXDGUHZXPHRN-NRPADANISA-N 271.317 -0.527 50 20 CBGD CCOC(=O)[C@@H](CC(C)C)NNC(=O)[C@H]1CCC(=O)N1 863379169 PTALOVWXDSPXSS-NXEZZACHSA-N 285.344 -0.136 50 20 CBGD CN(C[C@H](O)C1CC1)C(=O)c1cccc(B(O)O)c1 863876562 FTLRNAQKIGOZGJ-LBPRGKRZSA-N 263.102 -0.791 50 20 CBGD COC(=O)c1cc(C(=O)NN(C)C2CC2)n(C)n1 868962190 QMQZZSBUQLIHSZ-UHFFFAOYSA-N 252.274 -0.054 50 20 CBGD C#CCN(C)CCCNCc1ccc(B(O)O)cc1 894863403 BUSACYGCMYTNDX-UHFFFAOYSA-N 260.146 -0.589 50 20 CBGD Cc1cccnc1NNC(=O)C1CN(S(C)(=O)=O)C1 907697256 JODKGGGAVALWJD-UHFFFAOYSA-N 284.341 -0.275 50 20 CBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)C1CCCC1 914869162 QDRLVEOMHBOUQT-UHFFFAOYSA-N 298.387 -0.220 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CC(F)(F)F 920299587 IVNOPFKXUZEGCS-BYPYZUCNSA-N 291.251 -0.976 50 20 CBGD Cn1cc(C(=O)CNS(=O)(=O)CBr)cn1 921681952 ZNRXDPKYLWTSNB-UHFFFAOYSA-N 296.146 -0.125 50 20 CBGD COc1nccc(C(=O)NNC(=O)N2CCN(C)CC2)n1 935860432 NTXWETZXSHXDJK-UHFFFAOYSA-N 294.315 -0.913 50 20 CBGD COc1ccc(NC(=O)C(=O)NN(C)C(N)=O)cc1 1116492498 MLHMMMSUQWPAHG-UHFFFAOYSA-N 266.257 -0.325 50 20 CBGD CCc1nn(C)c(OC)c1C=NNC(=O)[C@@H]1CCC(=O)N1 1261833475 ZNGZEJKTCHEALK-JTQLQIEISA-N 293.327 -0.280 50 20 CBGD COCCOCC(=O)NNC(=O)Cc1ccncc1 1318896853 LLLVDNNPSZUHTQ-UHFFFAOYSA-N 267.285 -0.566 50 20 CBGD COC(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)o1 1320261713 SIZXBDBTTPBBME-UHFFFAOYSA-N 291.285 -0.469 50 20 CBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1nccs1 1320821144 LXLOIFOGNJLIPV-ZCFIWIBFSA-N 289.338 -0.661 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H]1CCc2nnn(C)c2C1 1324635144 ZSFFJJFKZFNULM-SSDOTTSWSA-N 267.289 -0.351 50 20 CBGD O=C(NNc1ncccn1)C1(n2cccn2)CCNCC1 1326310927 LQKCIBKTTGYFSO-UHFFFAOYSA-N 287.327 -0.105 50 20 CBGD Cc1ccncc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1331803491 OPLPVJRUIUUPLK-SECBINFHSA-N 262.269 -0.570 50 20 CBGD CN(C)C(=O)c1ccc(C=NNC(=O)C(C)(C)O)[nH]1 1343374926 DNHOJYZDTAAMOB-UHFFFAOYSA-N 266.301 -0.063 50 20 CBGD Cn1cccc1C(=O)NNC(=O)COCc1nncn1C 1347782430 NLCPUAARWYOPPE-UHFFFAOYSA-N 292.299 -0.869 50 20 CBGD C#CCOCCN(C)C(=O)c1ccc(B(O)O)cc1 1348890220 DDIMWYZPDUHVMD-UHFFFAOYSA-N 261.086 -0.912 50 20 CBGD CC(C)c1cc(C(=O)NNC(=O)[C@@H]2CCN2)no1 1575850569 UZBCBWGTHSYMAM-ZETCQYMHSA-N 252.274 -0.079 50 20 CBGD COc1ccnc(NNC(=O)CC2(O)CCNCC2)n1 1579317256 OFIILURWSPZWMY-UHFFFAOYSA-N 281.316 -0.567 50 20 CBGD Cc1csc2nc(CC(=O)NNC(=O)NCCN)cn12 1579835724 HXWWPGLMNNQKFA-UHFFFAOYSA-N 296.356 -0.464 50 20 CBGD Nc1ccc(C(=O)NNC(=O)C2CCOCC2)nc1 1580440146 UAVVXGHBLJLCQW-UHFFFAOYSA-N 264.285 -0.149 50 20 CBGD O=C(NNC(=O)c1coc(-c2nn[nH]n2)c1)c1cn[nH]c1 1593159420 MCIFQYPKCDPFPV-UHFFFAOYSA-N 288.227 -0.742 50 20 CBGD CO[C@](C)(C(=O)O)C(=O)NNc1ncc(F)cn1 1604464501 TVVYNBDLQPVGQB-VIFPVBQESA-N 258.209 -0.452 50 20 CBGD O=C(O)C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1ncon1 1608770503 FYDDLCXSODNMQR-NKWVEPMBSA-N 297.271 -0.343 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=S)NCCCC(=O)O 1609880065 VHHLFDWJPZFVKL-JGVFFNPUSA-N 289.357 -0.229 50 20 CBGD NC(=O)C(=O)NN=Cc1n[nH]c2cc(C(=O)O)ccc12 1776015509 BMYOYHJUAMOIRW-UHFFFAOYSA-N 275.224 -0.804 50 20 CBGD O=C(CBr)N[C@H]1CCS(=O)(=O)C1 41737797 FHHIVZJREYSLIJ-YFKPBYRVSA-N 256.121 -0.315 50 20 CBGD CC[C@@H](C)C(=O)NNS(=O)(=O)c1cnn(C)c1 48654571 UASCHGIZYSQWTB-SSDOTTSWSA-N 260.319 -0.224 50 20 CBGD CCOCCCNC(=O)NNC(=O)c1cnn(C)c1 49379379 HNGXTRIIWWATFM-UHFFFAOYSA-N 269.305 -0.209 50 20 CBGD O=C(CCc1nnc[nH]1)NNC(=O)c1ccccc1O 124130007 GMYMRNWENZIMSH-UHFFFAOYSA-N 275.268 -0.096 50 20 CBGD O=S(=O)(CBr)N1CCn2cnnc2C1 127492055 MHKLSOAQMDEXAY-UHFFFAOYSA-N 281.135 -0.224 50 20 CBGD COc1ccc(NNC(=O)CN2CCOCC2)nc1 159387006 LUAHRQRHDRZZKR-UHFFFAOYSA-N 266.301 -0.135 50 20 CBGD O=C(NNC(=O)C(F)(F)C(F)F)N1CCOCC1 176257829 SQFIYZAXHDWJOY-UHFFFAOYSA-N 273.186 -0.040 50 20 CBGD COCCN(C)S(=O)(=O)N1CC=C(C#N)CC1 273734619 UJESCENSCOOHET-UHFFFAOYSA-N 259.331 -0.035 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1C[C@H](C)CC(=O)N1 292799042 WEEATKIAVXYHEU-YUMQZZPRSA-N 270.358 -0.418 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 490555384 AERYIOOFEWLIRG-ZETCQYMHSA-N 278.330 -0.023 50 20 CBGD COC(=O)NNS(=O)(=O)c1csc(C(=O)O)c1 491139513 GOZVCFKVJFBYAE-UHFFFAOYSA-N 280.283 -0.004 50 20 CBGD C[C@@H](NC(=O)c1cc(B(O)O)ccc1F)[C@H]1CCOC1 584952154 RYXXDLQXNBVXFB-BDAKNGLRSA-N 281.092 -0.340 50 20 CBGD C[C@@H](O)CC(C)(C)CNC(=O)c1cccc(B(O)O)c1 584954428 KXIXPPRGDITRDV-SNVBAGLBSA-N 279.145 -0.107 50 20 CBGD C[C@H]1[C@@H](NC(=O)c2cc(B(O)O)ccc2F)CCCN1C 584972868 IOVAVIVVMVWFNO-ZANVPECISA-N 294.135 -0.282 50 20 CBGD C[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)CC[S@]1=O 584981324 BYZUAMAKPGTVLU-CFMSYZGJSA-N 295.169 -0.651 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 584997663 JTOOWPSQFVHDQD-IGQOVBAYSA-N 285.108 -0.608 50 20 CBGD CN(C)C(C)(C)CNCc1ccc(B(O)O)cc1 585013989 FKPCYVZNVZRLQW-UHFFFAOYSA-N 250.151 -0.204 50 20 CBGD CCN1CC[C@@H](CNCc2ccccc2B(O)O)C1 585016931 FELAWTYOVZENBA-LBPRGKRZSA-N 262.162 -0.202 50 20 CBGD C[C@H](CO[C@@H]1CCOC1)NCc1cccc(B(O)O)c1 585029505 AIDBACKXLNUJQP-BXUZGUMPSA-N 279.145 -0.350 50 20 CBGD COC[C@@H](CNCc1ccc(B(O)O)cc1)OC 585035260 QOTFJHPKZPMMCC-GFCCVEGCSA-N 253.107 -0.883 50 20 CBGD NC(=O)c1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cc1 585060335 CQBZDZFGFWWVJB-VIFPVBQESA-N 298.129 -0.977 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC2(CC1)OCCO2 731849185 UCZHBBXXEXJIIU-JTQLQIEISA-N 285.344 -0.229 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)Sc1nc(N)cc(N)n1 731905110 XXSNCQVHJBMQBR-RXMQYKEDSA-N 284.345 -0.321 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 736762366 HRPUNGQKCUGLSE-UHFFFAOYSA-N 289.299 -0.811 50 20 CBGD COCCS(=O)(=O)NNC(=O)NC1CCCC1 737757353 QCAABEUSQPPRCN-UHFFFAOYSA-N 265.335 -0.291 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)Sc1ncc(CO)n1C 750005326 NJQDJCQVPSMDHC-SSDOTTSWSA-N 286.357 -0.050 50 20 CBGD Cn1c(O)nc2ccc(C(=O)NNC(=O)CO)cc21 753438601 OJSHBWTYRMLJJZ-UHFFFAOYSA-N 264.241 -0.968 50 20 CBGD COCCCn1ccc(NC(=O)NNC(=O)CO)n1 756659773 QMQDCZMQFPJIPW-UHFFFAOYSA-N 271.277 -0.935 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccccc1C 764299358 DAVITTXCVBUSAM-UHFFFAOYSA-N 265.269 -0.273 50 20 CBGD Cc1noc(CCC(=O)NNC(=O)c2cc(C)[nH]n2)n1 768279032 RHYPGJZEOQRVBN-UHFFFAOYSA-N 278.272 -0.197 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)c2ccc(C#N)cc2)C1=O 772603300 REIQPBMEAZIKLU-NSHDSACASA-N 286.291 -0.202 50 20 CBGD CC(C)CN1C[C@H](C(=O)NN(C)C(N)=O)CC1=O 778415190 SDDBEIZJZRBOAH-MRVPVSSYSA-N 256.306 -0.467 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](C)O[C@@]2(CCOC2)C1 796556310 PPINNRVZJVYVJD-MJVIPROJSA-N 299.371 -0.188 50 20 CBGD CNS(=O)(=O)CC(=O)N(C)CC(Cl)Cl 808246532 FVLIPSXWYYOOSE-UHFFFAOYSA-N 263.146 -0.202 50 20 CBGD Cc1c(C(=O)NNC(=O)C(C)C)nnn1-c1ccn(C)n1 814365241 CWICJYCSFKCSBF-UHFFFAOYSA-N 291.315 -0.274 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ncn(C(C)(C)C)n1 823922442 KUHPSUAIAROOMD-MRVPVSSYSA-N 255.322 -0.010 50 20 CBGD C[C@H](CO)N(C)NC(=O)CSc1nncs1 823964849 FDWFLWRIJHCNFC-ZCFIWIBFSA-N 262.360 -0.026 50 20 CBGD CO[C@@H]1CCCN(CC(=O)NNC(=O)C(C)C)C1 827667710 KVOHCDKWIYHAPA-SNVBAGLBSA-N 257.334 -0.099 50 20 CBGD CC(C)C[C@H](C(N)=O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843967154 NJJHWMVZQMQFJA-LPEHRKFASA-N 285.344 -0.294 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1nccn2ccnc12 843972923 WJFOKZRHJJCHKR-BDAKNGLRSA-N 289.295 -0.085 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCN1CCCC1=O 845482964 KFGROUQJSLEVDI-NXEZZACHSA-N 298.343 -0.636 50 20 CBGD CCONC(=O)CNC(=O)NNc1ncncc1Cl 846722544 AJDOPTOEKOGJAP-UHFFFAOYSA-N 288.695 -0.176 50 20 CBGD N=C1NC(=O)[C@@H](CC(=O)NNC(=O)CC(F)(F)F)S1 855001466 FUEFSPGGUPAVRY-GSVOUGTGSA-N 298.246 -0.357 50 20 CBGD CC1(C)CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 858693083 FLMHRQNNPBWZFN-MRVPVSSYSA-N 284.316 -0.883 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H](F)Cc2ccccc2)N1 862459949 BXWZPXQKSXAAOV-GHMZBOCLSA-N 293.298 -0.007 50 20 CBGD CC[C@](C)(OC)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862460108 ZYZXWBNCHFKROR-CPCISQLKSA-N 257.290 -0.773 50 20 CBGD C[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CCC1 862462565 XSYQSDSFCHRNFI-VXNVDRBHSA-N 253.302 -0.151 50 20 CBGD O=C(CCOCC(F)F)NNC(=O)c1cn[nH]c1 862470616 SRCIEHILEXLEPK-UHFFFAOYSA-N 262.216 -0.158 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1CC12CCC2 863462359 MYXLDNMARNQMDB-SSDOTTSWSA-N 260.315 -0.631 50 20 CBGD COC(=O)C(C)(C)CCNC(=O)c1ccc(B(O)O)cc1 863881957 CXGOFNUPUGNHHK-UHFFFAOYSA-N 293.128 -0.315 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@H]1C1OCCO1 888447482 QVHVHRLULXROAO-LBPRGKRZSA-N 291.112 -0.656 50 20 CBGD CO[C@@H]1CCOC[C@H]1NCc1cccc(B(O)O)c1 897888888 KNYNIGYHMHYOAJ-CHWSQXEVSA-N 265.118 -0.740 50 20 CBGD CCC(=O)NNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C 903893543 FIURMFAIFRGZFV-UHFFFAOYSA-N 299.308 -0.149 50 20 CBGD C[C@H](O)CN(C)NC(=O)C(C)(C)S(=O)(=O)C1CC1 910154921 GXKAMBILSCZOAU-QMMMGPOBSA-N 278.374 -0.314 50 20 CBGD C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 926024641 BPFIVWIIAZMXMI-RGOKHQFPSA-N 271.317 -0.223 50 20 CBGD COc1cc(C)nc(NNC(=O)c2cn(CCN)nn2)n1 1118506630 RYFTYRGFMQFHNR-UHFFFAOYSA-N 292.303 -0.899 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C12CCCN1CCC2 1118776980 SBCHFJDSRUVXMJ-UHFFFAOYSA-N 282.344 -0.713 50 20 CBGD C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)NNC(=O)c1cn[nH]c1 1118810414 ICHONUIWQWYCPS-UWCLWIGYSA-N 299.356 -0.395 50 20 CBGD C[C@H](O)CN(C)NC(=O)CS[C@H]1CCS(=O)(=O)C1 1119581850 NOJLMMMGRSQMJV-IUCAKERBSA-N 296.414 -0.750 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H]1CCCS(=O)(=O)C1 1119984043 OJVOBHLGNUMJQH-SNVBAGLBSA-N 286.353 -0.238 50 20 CBGD CC(=O)NCCCNC(=O)NNC(=O)c1ccc[nH]1 1248703694 DPXWLRAGDSNWQE-UHFFFAOYSA-N 267.289 -0.515 50 20 CBGD Cc1nn(CCO)c(C)c1C=NNC(=O)N1CCOCC1 1318037230 MOKSSDGHAMIIHF-UHFFFAOYSA-N 295.343 -0.132 50 20 CBGD COCCNC(=O)NNc1nncc(N)c1Cl 1319180340 QOIHAXOCLCKPJF-UHFFFAOYSA-N 260.685 -0.015 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCOc1ccccc1 1323431653 HFNHOYPVIYIJDI-UHFFFAOYSA-N 281.268 -0.431 50 20 CBGD CN(C)C(=O)NNC(=O)c1cnc2c(cnn2C)c1 1323483553 PUGRLDLVUVNHQF-UHFFFAOYSA-N 262.273 -0.116 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1cnn(C)c1 1323527543 VETULVMPLWZMOT-SECBINFHSA-N 299.331 -0.698 50 20 CBGD Cc1oc(S(N)(=O)=O)cc1C(=O)NN=c1cc[nH]cc1 1325108345 SPCNXCKYDIQHSV-UHFFFAOYSA-N 296.308 -0.191 50 20 CBGD C[C@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)C[C@@H](C)O1 1328804368 PZDNBQGOLQNUCZ-OCAPTIKFSA-N 267.289 -0.127 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 1329771142 PWDUYUBFQBPJRC-BDAKNGLRSA-N 286.332 -0.732 50 20 CBGD CC(C)(O)CCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1339379775 WUHJNGDEINYRRG-QMMMGPOBSA-N 292.357 -0.880 50 20 CBGD N#Cc1ccsc1NC(=O)C(=O)NNC(=O)CCO 1343915085 FSMZIIIJVKJFFL-UHFFFAOYSA-N 282.281 -0.912 50 20 CBGD CC(=O)NN[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 1588869827 HOZXWOGZBKEPIW-SECBINFHSA-N 275.272 -0.966 50 20 CBGD Cc1ccc(C)c(NC(=O)C(=O)NNC(=O)C(=O)O)c1 1600388866 MFDCUMHFDLNHPJ-UHFFFAOYSA-N 279.252 -0.526 50 20 CBGD O=C(O)c1ccnc(C(=O)NNC(=O)c2ncon2)c1 1602482274 TZEYYYSZASMEIZ-UHFFFAOYSA-N 277.196 -0.762 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@](F)(C(=O)O)C1 1602626663 KCTDLTPBIMSNDA-LBPRGKRZSA-N 281.048 -0.995 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@]1(C(=O)O)C[C@H]1C 1603479471 BUIMIHNUMRUPLX-GYAIJENASA-N 270.285 -0.330 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@]1(C(=O)O)C[C@H]1C 1603479472 BUIMIHNUMRUPLX-VXDIOVFMSA-N 270.285 -0.330 50 20 CBGD CC(C)(CC(=O)O)NC(=O)c1ccc(B(O)O)cc1 1603590376 UXFXAPQRDZRXOB-UHFFFAOYSA-N 265.074 -0.651 50 20 CBGD O=C(O)COCC(=O)NNC(=O)c1ccccc1F 1608756635 FRNXZEJMEATADW-UHFFFAOYSA-N 270.216 -0.312 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC1(C(=O)O)CC1 1609878403 HPHJHNIUKJISOL-JGVFFNPUSA-N 285.300 -0.393 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1cccnc1 13446 WNVXXHNFGWEUBP-UHFFFAOYSA-N 262.269 -0.535 50 20 CBGD COC[C@@H](C)NC(=S)NNC(=O)c1cnn(C)c1 20907464 TUWJJZOKUVJVGO-SSDOTTSWSA-N 271.346 -0.436 50 20 CBGD O=C(CNC(=O)c1ccccc1)NNC(=O)NC1CC1 49129092 GCVPUJYEHJXRGC-UHFFFAOYSA-N 276.296 -0.091 50 20 CBGD CCNC(=O)NNC(=O)Cn1cnc2sccc2c1=O 49183340 VCSHVPNVUVBYGH-UHFFFAOYSA-N 295.324 -0.192 50 20 CBGD COC(=O)NCC(=O)NNC(=O)c1ccc(C#N)cc1 61462911 WRWSVDLXYXGNBO-UHFFFAOYSA-N 276.252 -0.325 50 20 CBGD C[C@@H](C(=O)NNC(=O)C(C)(C)O)N(C)CC(F)(F)F 194168000 NTQQQWHEOQUTPP-LURJTMIESA-N 285.266 -0.213 50 20 CBGD C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)N(C)C 194923026 XKRSVVXDZRARPR-ZETCQYMHSA-N 258.322 -0.160 50 20 CBGD COc1cc(C(=O)NNC(=O)CN(C)C)ccc1[N+](=O)[O-] 265057726 LCZOOHBEYSSMJA-UHFFFAOYSA-N 296.283 -0.074 50 20 CBGD CSCCNC(=S)NNC(=O)Cc1ccn[nH]1 271379460 HINXLRFKCRPUGA-UHFFFAOYSA-N 273.387 -0.190 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ccccn2)CC1 278556260 HCEBUEWMFNWQKV-UHFFFAOYSA-N 263.301 -0.317 50 20 CBGD COC(=O)NCC(=O)NN=c1nc(-c2ccccc2)[nH]o1 491057131 NOPBPPCUTQIYQA-UHFFFAOYSA-N 291.267 -0.042 50 20 CBGD CC[C@@](C)(C#N)NC(=O)c1ccc(B(O)O)c(F)c1 584936007 BRIIZONPEMJUBS-LBPRGKRZSA-N 264.065 -0.072 50 20 CBGD CCCN1CCCN(C(=O)c2cccc(B(O)O)c2)CC1 584946309 YOSJLRPWMHWRHF-UHFFFAOYSA-N 290.172 -0.076 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)c2cc(B(O)O)ccc2F)CCN1C 584950734 KQJPESBKKLPKOX-KOLCDFICSA-N 294.135 -0.282 50 20 CBGD CS[C@@H](CO)[C@H](C)NCc1ccc(B(O)O)o1 585028544 KWEIJPJGNNBNTK-CBAPKCEASA-N 259.136 -0.839 50 20 CBGD Cc1noc([C@H](C)NCc2ccc(B(O)O)cc2)n1 585037897 NADCEPFECWJOML-QMMMGPOBSA-N 261.090 -0.091 50 20 CBGD O=S(=O)(NCB(O)O)c1cscc1Br 585057180 OGYIFNVQPUUNBL-UHFFFAOYSA-N 299.964 -0.199 50 20 CBGD O=C(COC[C@@H]1CCCO1)NNC(=O)Cc1cccnc1 728982285 VXUYFHIARBMAJN-LBPRGKRZSA-N 293.323 -0.033 50 20 CBGD Cc1ccc(S(=O)(=O)NCC(=O)NN)cc1C 731450801 MDDJQERNSMFALR-UHFFFAOYSA-N 257.315 -0.428 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=O)NC1CCCC1 754985242 BDIPOCMLFGPMKT-NSHDSACASA-N 259.306 -0.343 50 20 CBGD Cn1nc2c(c1C(=O)NNC(=O)C(C)(C)O)CCCC2 768241707 QWTHONDWJUHACI-UHFFFAOYSA-N 280.328 -0.169 50 20 CBGD CC(C)[C@H](C(=O)NN(C)C(N)=O)N1CCCS1(=O)=O 770438314 RBKXCRUTPBCMIZ-MRVPVSSYSA-N 292.361 -0.912 50 20 CBGD O=C(CN1CCC[C@]12CCOC2=O)NNC(=O)C1CC1 778250459 JWEYUSKSWXIMKV-CYBMUJFWSA-N 281.312 -0.675 50 20 CBGD CC[C@@](C)(OC)C(=O)NNC(=O)CNC(=O)c1ccco1 795065722 AZOLNOFBEKRANR-CYBMUJFWSA-N 297.311 -0.028 50 20 CBGD CCOC(=O)c1cc(C=NNC(=O)CO)[nH]c1C 799485470 PNOMQIXCVFPMQF-UHFFFAOYSA-N 253.258 -0.058 50 20 CBGD C[C@](O)(C(=O)NNC(=O)Cc1cc[nH]n1)C1CC1 804351860 KOYHCMUFYXNZDJ-LLVKDONJSA-N 252.274 -0.739 50 20 CBGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NN(C)C1CC1 819648101 WJFZPMTYQCEVOV-UHFFFAOYSA-N 275.312 -0.001 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNC(=O)NC(C)C 822841075 SRHSUWLBUVEAOQ-VIFPVBQESA-N 258.322 -0.554 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCc1cnn(C)c1 825721143 JYXTUFZWIBPGNV-MWLCHTKSSA-N 295.343 -0.282 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@H]2CCCS2(=O)=O)n1 847011882 YEWCUZQBAUCXLO-SNVBAGLBSA-N 297.336 -0.272 50 20 CBGD CC[C@H]1COCC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1 853292738 WMGZWMCYLXGCOK-IUCAKERBSA-N 289.357 -0.115 50 20 CBGD COC/C=C\C(=O)NNC(=O)N1CCN(C)CC1 854378990 KOTICMZUUFNICU-ARJAWSKDSA-N 256.306 -0.823 50 20 CBGD CCOC(=O)NCCC(=O)NN(C)C(=S)NC 854925269 CKZCCBNZKBESJS-UHFFFAOYSA-N 262.335 -0.410 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccc(C(=O)OC)cn1 854926623 GHVNPQKODCFHDF-UHFFFAOYSA-N 282.325 -0.051 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@H]1NC(=O)O[C@H]1C)C1CC1 855099546 IHTIJMHHRJVHDB-HAFWLYHUSA-N 286.357 -0.223 50 20 CBGD O=C1NCC[C@@H]1C(=O)NNc1ccc(Cl)nn1 857129398 IMDVBZWSHBPAAF-YFKPBYRVSA-N 255.665 -0.291 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)N2C[C@H]3C[C@H]2C(=O)O3)cn1 861868312 AKFMZUHAQGOORU-AFCUIJBSSA-N 272.264 -0.147 50 20 CBGD COc1ccc(F)cc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862449368 FEDRCXVKBWXQLK-SECBINFHSA-N 295.270 -0.126 50 20 CBGD CCC[C@](C)(NC(=O)c1cccc(B(O)O)c1)C(=O)OC 863871301 IMCMPBABOXGOKQ-AWEZNQCLSA-N 293.128 -0.172 50 20 CBGD CCOC(=O)[C@@H](C)CNC(=O)c1cccc(B(O)O)c1 863876609 HIUDNMXMGMMLQV-VIFPVBQESA-N 279.101 -0.705 50 20 CBGD COC(=O)[C@@H](CC1CC1)NCc1cccc(B(O)O)c1 863890437 UMHRAAQQWPDHSL-CYBMUJFWSA-N 277.129 -0.202 50 20 CBGD COCCOCC(=O)NNC(=O)Cc1ncccc1OC 869906508 MYNKNNFKNDDEKJ-UHFFFAOYSA-N 297.311 -0.557 50 20 CBGD CCC(C)(C)N[C@H](C)C(=O)NNC(=O)COCCOC 869908261 YTQLSTWHGLOXLM-SNVBAGLBSA-N 289.376 -0.037 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1)[C@H](O)C(F)(F)F 877693968 WFTRJRSGFZQHGI-XVKPBYJWSA-N 277.051 -0.232 50 20 CBGD CCCNC(=O)NNC(=O)c1ccnn1CCN(C)C 900391769 AHGXUSLNUZGLHY-UHFFFAOYSA-N 282.348 -0.201 50 20 CBGD C[C@@H](O)CN(C)NC(=O)C(C)(C)CN1CCOCC1 910181066 BXPIKFQOMMEWRJ-LLVKDONJSA-N 273.377 -0.311 50 20 CBGD Cc1ncoc1C(=O)NNC(=O)CNC(=O)c1ccco1 1116196307 WVNNHAICJHRNAU-UHFFFAOYSA-N 292.251 -0.233 50 20 CBGD C[C@H](C(=O)NNc1cccnn1)N1CCN(C)CC1 1116545872 NOYMOQOYFPFGPJ-SNVBAGLBSA-N 264.333 -0.444 50 20 CBGD CC(C)NC(=S)NNC(=O)C1(S(C)(=O)=O)CC1 1256285356 KIHYSNPRFQQRJT-UHFFFAOYSA-N 279.387 -0.533 50 20 CBGD CC#CCCCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1320298116 SHCPVMLDOWLUCI-SNVBAGLBSA-N 286.353 -0.238 50 20 CBGD Cc1ccc(C(=O)C(=O)NNC(=O)C(=O)NC2CC2)cc1 1322214403 UEGFLQHIMCSVTC-UHFFFAOYSA-N 289.291 -0.396 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@@]1(F)CCOC1 1323182519 JETSAAUYPCUTII-GFCCVEGCSA-N 267.260 -0.100 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](C)[C@H]1CCCOC1 1323606347 XKXCKYXNKDVCEO-SFYZADRCSA-N 273.289 -0.695 50 20 CBGD CN(C)C(=O)CNC(=O)C(=O)NNc1cccc(Cl)n1 1324251588 SXNPPCNHXUBDOE-UHFFFAOYSA-N 299.718 -0.618 50 20 CBGD CN(NC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)C(N)=O 1325005179 CONXPNPKQPXAKQ-UHFFFAOYSA-N 279.300 -0.094 50 20 CBGD O=C(NNC(=O)c1cnc2cccnn12)NC1CC1 1326753006 PZXLGYCOPFCCMM-UHFFFAOYSA-N 260.257 -0.164 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccncc2Cl)N1 1330107814 HKWNGOVQVYDPKK-MRVPVSSYSA-N 282.687 -0.225 50 20 CBGD O=C(COC(F)F)NNC(=O)C1CCOCC1 1330842038 SFRZZFVKHSTWJL-UHFFFAOYSA-N 252.217 -0.200 50 20 CBGD O=C(COc1cccnc1)N1CC[C@H](B(O)O)C1 1331827323 PQMIASONBOTDMA-VIFPVBQESA-N 250.063 -0.464 50 20 CBGD COC/C(C)=C\C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1349499765 ZYFOQXBRBXDYIN-RDOCRHDPSA-N 290.341 -0.839 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H]1CCNC(=O)C1 1355146656 LXIVSJQFIWUVPE-SECBINFHSA-N 251.286 -0.537 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1C[C@@H]1F 1521074416 URIAJUUOODYGCZ-SFYZADRCSA-N 259.281 -0.203 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccsc1-c1nn[nH]n1 1573922905 IONCELCTKZNFQR-UHFFFAOYSA-N 296.312 -0.540 50 20 CBGD COc1ccnc(NNC(=O)[C@]2(C)C[C@@H](N)CCO2)n1 1579316900 BEMAMDSJLIFNNH-UFBFGSQYSA-N 281.316 -0.175 50 20 CBGD Cc1cc(NNC(=O)[C@@H]2NCC23CCOCC3)nc(N)n1 1579636205 VZWHBLNDZJYRLL-JTQLQIEISA-N 292.343 -0.421 50 20 CBGD N[C@@H](C(=O)NNC(=O)C1CCOCC1)C1CCC1 1580115271 QSLGYMOLPGRGNT-SNVBAGLBSA-N 255.318 -0.312 50 20 CBGD O=C1C[C@H](C(=O)NNc2ccc(C(=O)O)cn2)CCN1 1602630448 AGUOZWNYSAKOOK-SSDOTTSWSA-N 278.268 -0.251 50 20 CBGD O=C(NNC(=O)c1cnccc1-c1nn[nH]n1)c1cc[nH]n1 1606854565 XULRETJPOMBWTL-UHFFFAOYSA-N 299.254 -0.940 50 20 CBGD NC(=O)[C@H]1CC[C@@H](C(=O)NNc2ccccc2C(=O)O)O1 1608240698 WBNCZSIPWUBOSY-ZJUUUORDSA-N 293.279 -0.139 50 20 CBGD O=C(O)CNC(=O)NN=C1CCC[S@@](=O)CC1 1608754354 ZIUYTCYPNZVVKJ-QGZVFWFLSA-N 261.303 -0.341 50 20 CBGD CC(C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)n1C 1609086328 ZVTNIDKUBLOGJE-UHFFFAOYSA-N 277.288 -0.378 50 20 CBGD O=C(NNC(=O)c1ccc[n+]([O-])c1)c1ccncc1 1464932 LUKGBTZEOUXCSW-UHFFFAOYSA-N 258.237 -0.210 50 20 CBGD Cc1nc(CC(=O)NNC(=O)CN(C)C)cs1 113426838 VPQYBDUGGVAABO-UHFFFAOYSA-N 256.331 -0.297 50 20 CBGD COC(=O)NNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 274171229 BARRVECUSFNZLD-RXMQYKEDSA-N 283.206 -0.216 50 20 CBGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NNC(=O)CO 496474202 LVDNALIRJCJPOR-ZETCQYMHSA-N 275.305 -0.713 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCN2CCC[C@H]2C1 584941151 GFZPKOUAVIYTLB-NSHDSACASA-N 292.119 -0.574 50 20 CBGD CO[C@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1(C)C 584958640 VMYBNNDQZOQPMP-NEPJUHHUSA-N 277.129 -0.090 50 20 CBGD O=C(NCCSCCCO)c1cccc(B(O)O)c1 584962568 NWVOVLQAFAERJY-UHFFFAOYSA-N 283.158 -0.788 50 20 CBGD CC[C@@H](NC(=O)c1cccc(B(O)O)c1)[C@@H](C)O 585000192 YDWUGBGARLDUPS-LDYMZIIASA-N 251.091 -0.744 50 20 CBGD COCCN(C)CCNCc1ccccc1B(O)O 585020566 BFFAZWLBMUOWGA-UHFFFAOYSA-N 266.150 -0.966 50 20 CBGD C[C@@H](CCN1CCOCC1)NCc1cccc(B(O)O)c1 585032680 KSDSIHRSVYQCEH-ZDUSSCGKSA-N 292.188 -0.433 50 20 CBGD C[C@H](C[S@@](C)=O)NCc1ccc(B(O)O)cc1F 585034952 NSBWCEQNSQNTKE-NTCNTBNZSA-N 273.138 -0.638 50 20 CBGD OCC[C@H]1CCC[C@@H]1NCc1ccc(B(O)O)o1 585036589 KCURWHGHAMVEHF-KOLCDFICSA-N 253.107 -0.400 50 20 CBGD CN(C)C1(CNCc2cccc(B(O)O)c2)CCC1 585037494 ZPKNERNMEHPURR-UHFFFAOYSA-N 262.162 -0.060 50 20 CBGD Cc1cc(S(=O)(=O)NCB(O)O)c(C)cc1[N+](=O)[O-] 585056979 FYHVSQFYRHFQQN-UHFFFAOYSA-N 288.090 -0.498 50 20 CBGD CCCNC(=S)NNC(=O)[C@@H](C)OCCOC 734026080 OCQOZUMCUFEJGL-MRVPVSSYSA-N 263.363 -0.057 50 20 CBGD NC(=O)C(=O)NN=C1CCN(Cc2ccccc2)C1=O 743420407 BRXQUFHLOJIUBO-UHFFFAOYSA-N 274.280 -0.624 50 20 CBGD CN(C)C(=O)NNC(=O)Cn1cc([N+](=O)[O-])cn1 746006155 SGXDFEMVZMQTJP-UHFFFAOYSA-N 256.222 -0.906 50 20 CBGD O=C(Cn1cnnn1)NNc1cccc([N+](=O)[O-])c1 748005274 XPDKNSQVAUBUDD-UHFFFAOYSA-N 263.217 -0.275 50 20 CBGD O=C(NNC(=O)C1(C(=O)NC2CC2)CC1)c1cccnc1 749400438 MSAOYMCBEQNTTP-UHFFFAOYSA-N 288.307 -0.099 50 20 CBGD CNC(=O)c1ccc(C)c(NC(=O)NNC(=O)CO)c1 755662693 GLUGXUMFEVLBND-UHFFFAOYSA-N 280.284 -0.500 50 20 CBGD Cc1c(CCC(=O)NNC(=O)CN(C)C)cnn1C 760131786 CHEOHYUYYGRDCX-UHFFFAOYSA-N 267.333 -0.630 50 20 CBGD O=C(CO)NN=Cc1cnc(N2CCOCC2)s1 776776783 KUFXHLKHAUWATM-UHFFFAOYSA-N 270.314 -0.578 50 20 CBGD COc1ccc(CCC(=O)NNC(=O)CO)cc1OC 777781965 TUDVTAXVOVJCFO-UHFFFAOYSA-N 282.296 -0.224 50 20 CBGD CC[C@]1(O)CCN(CC(=O)NNC(=O)C2CC2)C1 778403784 BOHHBKWNOLMORP-LBPRGKRZSA-N 255.318 -0.609 50 20 CBGD CC(C)(C)C(=O)NNC(=O)N1CC[C@@H](S(C)(=O)=O)C1 799924964 KDHOOCWQQOPGMR-MRVPVSSYSA-N 291.373 -0.108 50 20 CBGD O=C1CCC[C@H](C(=O)NNC(=O)NCC(F)(F)F)N1 801982398 OSDFETGGOZBWGY-RXMQYKEDSA-N 282.222 -0.452 50 20 CBGD Cn1cc(C=NNC(=O)CC2CC2)c(=O)n(C)c1=O 814987543 SGSBPROMMRXMMG-UHFFFAOYSA-N 264.285 -0.666 50 20 CBGD C[C@@H](CO)N(C)NC(=O)/C(C#N)=C/c1cnn(C)c1 823917041 DDNGBNPYLUORBZ-AXNBSVLLSA-N 263.301 -0.329 50 20 CBGD COCCOCC(=O)NNC(=O)c1cc2cccn2cn1 827870314 ZAPNBRDJIOUISX-UHFFFAOYSA-N 292.295 -0.242 50 20 CBGD O=S(=O)(CCl)NCCN1C[C@@H]2CC[C@H](C1)O2 832309839 LQZTTZDQJKSJTN-DTORHVGOSA-N 268.766 -0.035 50 20 CBGD CC(CS(C)(=O)=O)=NNC(=O)[C@H]1CCO[C@@H]1C 842558303 SCCXHXNDJHZITG-BDAKNGLRSA-N 262.331 -0.052 50 20 CBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)c1cccnc1 858106436 YHTSHGODMMNTHC-JTQLQIEISA-N 264.285 -0.387 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 858168154 NZSZQZWOYGQXDA-IMSYWVGJSA-N 285.344 -0.282 50 20 CBGD Cc1nn(C)c(C)c1C(=O)NNC(=O)c1cn[nH]c1 862473234 JZFZTEHQZLISHQ-UHFFFAOYSA-N 262.273 -0.165 50 20 CBGD CC[C@H](C)[C@@H](C)C(=O)NNC(=O)CS(C)(=O)=O 863464847 VEJLVYXIXSPKIV-JGVFFNPUSA-N 264.347 -0.139 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=CC1CCN(C)CC1 872350959 IOJRIZQIIBWKNZ-VIFPVBQESA-N 290.389 -0.632 50 20 CBGD OC[C@H](C[C@H]1CCCO1)NCc1ccc(B(O)O)cc1 895746527 DQTZNJZOXNVTQD-UONOGXRCSA-N 279.145 -0.614 50 20 CBGD CN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(B(O)O)ccc1F 913533082 PQXCMCRMXNKZHU-PHIMTYICSA-N 292.119 -0.576 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)CC(F)(F)F)CC1 1116035611 FXKGICJFYAISBL-UHFFFAOYSA-N 253.180 -0.648 50 20 CBGD O=C(COC[C@H]1CCCO1)N1CC[C@@H](B(O)O)C1 1118915742 JHVXQCZTSJNYND-NXEZZACHSA-N 257.095 -0.743 50 20 CBGD O=C(CO)NNC(=O)c1cc2c(nc1O)CCC2 1254645784 QXFODIJPZBLNHO-UHFFFAOYSA-N 251.242 -0.971 50 20 CBGD CC(C)NC(=S)NNC(=O)C1=NN(C)C(=O)CC1 1317736207 UACUCKDSWKINPW-UHFFFAOYSA-N 271.346 -0.502 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCC(C)(C)C#N)cn1 1319986963 KNLANZPYMFNLKB-UHFFFAOYSA-N 264.289 -0.086 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCn1cnccc1=O 1324285507 FGNOGGLEZIEDFR-UHFFFAOYSA-N 290.283 -0.874 50 20 CBGD CCCNC(=O)NNC(=O)c1cn(C2CC2)nn1 1329770179 HYXRLFIGVWOMME-UHFFFAOYSA-N 252.278 -0.033 50 20 CBGD O=C1COc2cc(C(=O)N3CC[C@H](B(O)O)C3)ccc2N1 1331894737 FTRZIZRZNRTPQG-VIFPVBQESA-N 290.084 -0.294 50 20 CBGD COCCS(=O)(=O)NNC(=O)C1CCOCC1 1333143659 KVJLYPVURDQVOF-UHFFFAOYSA-N 266.319 -0.990 50 20 CBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)C2CCOCC2)CO1 1333609440 ZDMCZDKCUJCKIU-SCZZXKLOSA-N 271.317 -0.079 50 20 CBGD NC(=O)c1cccc(C(=O)NNC(=O)NC2CC2)n1 1337550605 VBWZLWONEDKJBA-UHFFFAOYSA-N 263.257 -0.713 50 20 CBGD Cc1cc(F)cc(NC(=O)C(=O)NNC(=O)CCO)c1 1337979854 ALPQITAUSAMCLX-UHFFFAOYSA-N 283.259 -0.398 50 20 CBGD COc1cc(C(=O)NNC(=O)N2CCN(C)CC2)ccn1 1350947555 DOHGTSQZKPZQJQ-UHFFFAOYSA-N 293.327 -0.308 50 20 CBGD C[C@@]1(CNC(=O)[C@H](N)CO)C[C@H]1Br 1354355810 BVSOJKUUQVFZBC-JKMUOGBPSA-N 251.124 -0.404 50 20 CBGD CNCC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C 1573896885 ZYMIYQUVTNGFAL-UHFFFAOYSA-N 288.348 -0.342 50 20 CBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ncccc1C(=O)O 1574496173 GCHJQACMIPPRMA-BQBZGAKWSA-N 278.268 -0.266 50 20 CBGD COCCOCC(=O)NNC(=O)[C@]1(C)CCCNC1 1579056050 LKKSQFUCBSBGNF-GFCCVEGCSA-N 273.333 -0.814 50 20 CBGD N[C@H]1C[C@@H](CNC(=O)NNC(=O)Cc2cccnc2)C1 1580418172 GKNTVYCBLXVOSW-PHIMTYICSA-N 277.328 -0.308 50 20 CBGD O=C(NNC(=O)[C@@H](O)C1CCCCC1)[C@@H]1CCN1 1580733506 WVEWHXUIVAPQDI-UWVGGRQHSA-N 255.318 -0.563 50 20 CBGD C#C[C@@H](NC(=O)NNC(=O)C(=O)O)c1ccc(F)cc1 1588374176 PYHBEGQOECFEKG-SECBINFHSA-N 279.227 -0.085 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCC(O)(C(=O)O)CC1 1596862866 OVZMVDZMWLNDLF-CMDGGOBGSA-N 268.269 -0.132 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@]1(C(=O)O)CCCO1 1603479601 GDWJNRZIFWNZNB-YVZVNANGSA-N 286.284 -0.807 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cnccc1-c1nn[nH]n1 1604353470 KFPBBVPSPGEKMR-UHFFFAOYSA-N 290.287 -0.432 50 20 CBGD C[C@H]1CC(CCNC(=O)NNC(=O)C(=O)O)C[C@H](C)O1 1604667196 QMAVJTJVGHSPGC-YUMQZZPRSA-N 287.316 -0.005 50 20 CBGD O=C(CNC(=O)C1CC1)NNc1ncccc1C(=O)O 1605696415 RGFONXOKXGGDRW-UHFFFAOYSA-N 278.268 -0.251 50 20 CBGD NC(=O)[C@@H]1C[C@@H]1C(=O)NNc1cccc(C(=O)O)c1 1608240346 NTCPNWWKVDUJNC-BDAKNGLRSA-N 263.253 -0.051 50 20 CBGD C[C@@H](C(=O)O)C(=O)NNC(=O)COc1ccc(C#N)cc1 1609701117 PTLLETKXENEQFV-MRVPVSSYSA-N 291.263 -0.195 50 20 CBGD O=C(NNC(=O)[C@@H]1COCCO1)c1ccccn1 48073085 PMZCKHGXHGDPBT-VIFPVBQESA-N 251.242 -0.742 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@H]1CCCO1 48502472 KGJCMCYDSWCNJM-MRVPVSSYSA-N 257.290 -0.773 50 20 CBGD CCc1nc(CC(=O)NNC(=O)C(=O)NC2CC2)cs1 48927774 FRFVNIJWEYUYFL-UHFFFAOYSA-N 296.352 -0.326 50 20 CBGD CCOC(=O)NNC(=O)CCSc1nnnn1C 49341008 AWIQRSFGGCPINA-UHFFFAOYSA-N 274.306 -0.530 50 20 CBGD C=CCCO[C@H](C)C(=O)NNC(=O)C(=O)NC1CC1 66309020 PBODIFIOTYNPBV-MRVPVSSYSA-N 269.301 -0.606 50 20 CBGD CN(C)C(=O)N1CCN(S(=O)(=O)CCl)CC1 82512590 SAAKTBBUNDPDFO-UHFFFAOYSA-N 269.754 -0.188 50 20 CBGD Cc1cc(C)nc(NNC(=O)C[C@@H]2CNCCO2)n1 269182363 BKAANEVXVCWIIA-SNVBAGLBSA-N 265.317 -0.085 50 20 CBGD CCNC(=O)N(C)NC(=O)Cn1ccc([N+](=O)[O-])n1 272636711 CQDPYPGCQHCKFR-UHFFFAOYSA-N 270.249 -0.516 50 20 CBGD COc1ccc2c(c1)OC[C@H](C(=O)NNC(=O)CO)C2 367734111 ZTMQEASAJFDXSP-SECBINFHSA-N 280.280 -0.614 50 20 CBGD O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1ccc(B(O)O)cc1 584928628 DZJJTEVOKLTWJP-KGLIPLIRSA-N 288.156 -0.277 50 20 CBGD CN1[C@H]2CC[C@H]1CN(C(=O)c1cccc(B(O)O)c1)CC2 584955518 RIIAMFBQTFHXGV-KBPBESRZSA-N 288.156 -0.325 50 20 CBGD N#CCCCNC(=O)c1ccc(B(O)O)c(F)c1 584975062 YDTASEQXGMTWIH-UHFFFAOYSA-N 250.038 -0.461 50 20 CBGD Cc1noc(C(C)(C)NC(=O)c2ccc(B(O)O)cc2)n1 584987331 LTHAMZRVYROJCQ-UHFFFAOYSA-N 289.100 -0.277 50 20 CBGD COCC[C@H](C)CNC(=O)c1ccc(B(O)O)cc1 585002591 ZSHCINXVPCGBPR-JTQLQIEISA-N 265.118 -0.231 50 20 CBGD C[C@@H](CCNC(=O)c1cc(B(O)O)ccc1F)N(C)C 585007005 SNIRDWSJWPOORV-VIFPVBQESA-N 282.124 -0.425 50 20 CBGD C[C@@H](O)C[C@@H](C)CNCc1cccc(B(O)O)c1 585025338 RLKQOCGZMDPVGP-GHMZBOCLSA-N 251.135 -0.137 50 20 CBGD O=C(CCCNCc1ccc(B(O)O)o1)Nc1cn[nH]c1 585028587 LSDXTYAISBQFBB-UHFFFAOYSA-N 292.104 -0.809 50 20 CBGD Cc1nc([C@H](C)NCc2ccccc2B(O)O)no1 585040878 QZMCSVJGPVWWTL-QMMMGPOBSA-N 261.090 -0.091 50 20 CBGD CN1[C@H]2CC[C@H]1CC(NCc1ccc(B(O)O)o1)C2 585044894 WNQQCWIKMDGTME-QWRGUYRKSA-N 264.134 -0.326 50 20 CBGD COc1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cc1 585060559 GOGOKJBWSRVRII-VIFPVBQESA-N 285.130 -0.067 50 20 CBGD CCCN1CCC[C@H]1C(=O)N1CC[C@@H](B(O)O)C1 585069288 KTPVIZMGRWLFAJ-MNOVXSKESA-N 254.139 -0.064 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)NC2CCCC2)CC1 731619681 HGPLCGCIAXOEDX-UHFFFAOYSA-N 254.290 -0.475 50 20 CBGD Cc1ncsc1C=NNC(=O)[C@@H](C)NS(C)(=O)=O 743438940 SXCKJQSBVDZNGT-SSDOTTSWSA-N 290.370 -0.161 50 20 CBGD CC(C)OCCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 758716656 BNVZFXNYBYCNEV-NSHDSACASA-N 293.389 -0.208 50 20 CBGD CC(C)[C@](C)(O)C(=O)NNC(=O)CNC(=O)c1ccco1 771300539 ACENYSJSIVNJIJ-ZDUSSCGKSA-N 297.311 -0.436 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnc(C)cn1 771892594 WHTVHEPIMPURIA-MRVPVSSYSA-N 280.284 -0.112 50 20 CBGD CC[C@@H](CO)C(=O)NNC(=O)CNC(=O)c1ccco1 779762830 GQSNSGYBDBHOKE-QMMMGPOBSA-N 283.284 -0.825 50 20 CBGD Cn1nccc1COCC(=O)NNC(=O)c1ccncc1 785669166 HOQWNSKQIYMSQO-UHFFFAOYSA-N 289.295 -0.207 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cn(C)cn2)CC1 788168853 GFLYFYYJSLFFTK-UHFFFAOYSA-N 266.305 -0.978 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](C)O[C@]2(CCOC2)C1 796556309 PPINNRVZJVYVJD-COPLHBTASA-N 299.371 -0.188 50 20 CBGD Cc1nc(C(=O)NNC(=O)CNC(=O)c2ccco2)co1 801611112 CPFPVSGVSCAXQR-UHFFFAOYSA-N 292.251 -0.233 50 20 CBGD COCC(=O)NNC(=O)Nc1ccnnc1OC 808902902 YBAMCOIMXVMYAA-UHFFFAOYSA-N 255.234 -0.716 50 20 CBGD O=C(CCOC[C@H]1CCCO1)NNc1nc[nH]n1 816633456 BZDHUFNNWBPRAO-MRVPVSSYSA-N 255.278 -0.167 50 20 CBGD N[C@@H]1CCCC[C@H]1NCC(=O)NNC(=O)C1CC1 818340430 MMYGKCJUUWRPCN-NXEZZACHSA-N 254.334 -0.597 50 20 CBGD O=C(O)CCNC(=O)NNC(=O)c1ccccc1O 819492589 PPJXRORQRWADMS-UHFFFAOYSA-N 267.241 -0.189 50 20 CBGD CC(C)NC(=O)NNC(=O)c1cc(-c2nn[nH]n2)cn1C 820137084 DZUOQTYARDWELD-UHFFFAOYSA-N 292.303 -0.442 50 20 CBGD C[C@H](CO)N(C)NC(=O)COc1ccc(CO)cc1 823924207 YJQXIWDIRCPMGG-SNVBAGLBSA-N 268.313 -0.099 50 20 CBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)NC(C)C 824404457 QKGMBRNZPRSLPW-SSDOTTSWSA-N 280.350 -0.947 50 20 CBGD CO[C@@H]1CN([C@@H](C)C(=O)NNC(=O)CC(C)C)C[C@H]1O 832008263 YXCPSKKTDCSNQD-HBNTYKKESA-N 287.360 -0.740 50 20 CBGD Cc1ccccc1CC(=O)NNC(=O)[C@@]1(O)CCOC1 840399613 QOWAZHJXYKCINM-CQSZACIVSA-N 278.308 -0.164 50 20 CBGD COC(=O)COCC(=O)NNc1ncc(F)cc1F 854898902 HGOJPHJPNOHJIA-UHFFFAOYSA-N 275.211 -0.008 50 20 CBGD C[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)C[C@H]1CO 856795163 BLEPGUBHYFFSED-KOLCDFICSA-N 269.345 -0.506 50 20 CBGD CN(C[C@H]1CCCN1C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858702270 GNLLJEMFLSPFPJ-NXEZZACHSA-N 297.359 -0.968 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc(C3CC3)no2)N1 862459113 MPGMJTXAOFUKHO-ZETCQYMHSA-N 278.268 -0.408 50 20 CBGD O=C(COCC1CCCC1)NNC(=O)[C@@H]1CCC(=O)N1 862461409 OXRNBBJLIRNDFI-JTQLQIEISA-N 283.328 -0.381 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2n[nH]cc2C1)c1cn[nH]c1 862472167 GTVMWIGUIVZGLZ-ZETCQYMHSA-N 274.284 -0.301 50 20 CBGD Cc1csc(C(=O)NNC(=O)C2(n3cnnn3)CC2)c1 862481568 YDSZYJIUSGOYGH-UHFFFAOYSA-N 292.324 -0.007 50 20 CBGD CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)CN1CCCC1=O 862993736 PPLIBTBOOHSLPU-JTQLQIEISA-N 296.371 -0.371 50 20 CBGD CC(C)(O)CN1CCC(=NNC(=O)[C@H]2CCC(=O)N2)CC1 863150746 ZKTZJCNYJMCXKZ-LLVKDONJSA-N 296.371 -0.396 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C1(F)CCOCC1 865568384 NWZYIWLSINMHKH-UHFFFAOYSA-N 270.264 -0.002 50 20 CBGD CC[C@@]1(C(=O)NNC(=O)CC2CC2)CCNC1=O 868590999 SRKSLXSMPBQIJG-GFCCVEGCSA-N 253.302 -0.150 50 20 CBGD CCN1CC[C@H](NC(=O)NNc2ccncn2)C1=O 868838499 GYGMMCQZKVFYNP-QMMMGPOBSA-N 264.289 -0.277 50 20 CBGD CCO/C=C(/C#N)C(=O)N1C[C@H](O)C[C@]1(C)CO 912662321 IVALYGUCFLIWBP-POGDZBNZSA-N 254.286 -0.225 50 20 CBGD NC(=O)CSCC(=O)NNC(=O)c1ccccc1 915261783 XZHCBSSLKGULFA-UHFFFAOYSA-N 267.310 -0.334 50 20 CBGD C[C@@H]1C[C@@H](CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 1118863024 FNKMCEGTUPWCQF-KXUCPTDWSA-N 298.343 -0.590 50 20 CBGD CCCN1CCCC[C@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1118942602 FUMFUXZUEWDMJT-MNOVXSKESA-N 296.371 -0.323 50 20 CBGD N#Cc1ccc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)o1 1252253778 CREZJGSUIDIEJA-QMMMGPOBSA-N 296.308 -0.029 50 20 CBGD COC(=O)C(=O)NN=Cc1ccc(O)c(O)c1O 1318965832 MITMYQJJQIPXEK-UHFFFAOYSA-N 254.198 -0.574 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)N(C)C)ccn1 1318985951 LODVKOPYCWZKBJ-UHFFFAOYSA-N 266.257 -0.216 50 20 CBGD CCC(=O)N1CC[C@@H](C(=O)NNC(=O)c2cnn(C)c2)C1 1319427629 RCIPJTLGTDUHHY-SECBINFHSA-N 293.327 -0.560 50 20 CBGD Cc1c(NC(=O)C(=O)NNC(=O)C2CCC2)cnn1C 1320232066 JPCYWWOIWFWXAS-UHFFFAOYSA-N 279.300 -0.385 50 20 CBGD COC[C@@H](C)n1ccc(NC(=O)NNC(=O)CCO)n1 1320800031 XNUOPBHUZXXIGZ-MRVPVSSYSA-N 285.304 -0.374 50 20 CBGD CCCn1cc(NC(=O)C(=O)NNC(C)=O)cn1 1323941207 OMQYLNIMDGZSRN-UHFFFAOYSA-N 253.262 -0.601 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCc1ccn(C)n1 1325974564 CRGJFNIRVBCZNN-KOLCDFICSA-N 295.343 -0.282 50 20 CBGD COC(=O)C(=O)NN=C(C)c1ncc(C(=O)OC)s1 1326101560 QIUYALFRDLNYDR-UHFFFAOYSA-N 285.281 -0.057 50 20 CBGD COC[C@@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)C[C@H](C)O1 1328803536 DMTLARZPKZQMPX-WPRPVWTQSA-N 297.315 -0.500 50 20 CBGD CCN(CCC#N)S(=O)(=O)N1CC[C@H](B(O)O)C1 1330260881 CXONLVZXZXZTDE-VIFPVBQESA-N 275.139 -0.985 50 20 CBGD O=C(CO[C@@H]1CCOC1)NNc1ncncc1F 1330550851 FSLBJDCMTWUVCW-SSDOTTSWSA-N 256.237 -0.136 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C1CCOCC1)C(=O)N(C)C 1330839209 BCIBKRRVTAMVIN-MRVPVSSYSA-N 286.332 -0.780 50 20 CBGD CCOC1CC(CC(=O)NNC(=O)C(=O)NC2CC2)C1 1338891171 KKWANWISPXOYQM-UHFFFAOYSA-N 283.328 -0.382 50 20 CBGD Cc1cc(=O)c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c[nH]1 1349454588 AJONVRSEGCWMME-IUCAKERBSA-N 279.296 -0.131 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@@H]2CN3CCN2C[C@H]3C)n1 1350849940 DUBJPGQLUUOISR-NEPJUHHUSA-N 290.371 -0.075 50 20 CBGD CC1(C(=O)NNC(=O)[C@H]2CCN2)CCC(=O)CC1 1576349426 DBKJQPUKGYLUQP-SECBINFHSA-N 253.302 -0.355 50 20 CBGD CNC[C@H](O)[C@H](C)C(=O)NNC(=S)Nc1ccccn1 1578647843 XGIIVEYUDKYBET-IUCAKERBSA-N 297.384 -0.384 50 20 CBGD Cc1cc(NNC(=O)[C@@H]2CSCN2)nc(N)n1 1579638288 VISMXUOETWSFCL-LURJTMIESA-N 254.319 -0.527 50 20 CBGD Cc1ccc(NC(=S)NNC(=O)C2(O)CNC2)c(C)c1 1579722961 QSDFSKJWQIWMTF-UHFFFAOYSA-N 294.380 -0.045 50 20 CBGD CC[C@@](C)(CC(=O)O)NC(=O)c1cccc(B(O)O)c1 1594823448 CSYHOLVEAJNGRL-ZDUSSCGKSA-N 279.101 -0.260 50 20 CBGD O=C(O)C1=NO[C@H](C(=O)NNc2ncccn2)C1 1594889317 KERHMNAMBDFPEF-LURJTMIESA-N 251.202 -0.851 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCN2CCC[C@H]2C1 1601553074 SQDYFAKXDQHTGZ-YUMQZZPRSA-N 270.289 -0.972 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1C(=O)O 1603052861 VZYOGXVZOMGSJX-UHFFFAOYSA-N 279.252 -0.201 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCCC(=O)O 1603480558 WWJHASIEGISRID-SFYZADRCSA-N 258.274 -0.186 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cc(C(=O)O)ccn1 1604202049 HGXJRFMQFUNLHH-SSDOTTSWSA-N 253.258 -0.263 50 20 CBGD O=C(O)COc1ccc(C=NNC(=O)C(=O)O)cc1 1608758503 HBDYNPNZAWZISY-UHFFFAOYSA-N 266.209 -0.315 50 20 CBGD CN1C(=O)CC[C@H](NS(=O)(=O)CCCCl)C1=O 90032920 HEMIMYAJLYYFMF-ZETCQYMHSA-N 282.749 -0.318 50 20 CBGD CN1C[C@@H](C(=O)NNc2cc(Cl)nc(N)n2)CC1=O 133956742 MXAOSOMLVQZLKT-YFKPBYRVSA-N 284.707 -0.366 50 20 CBGD C[C@H](C(=O)NNC(=O)c1cccn1C)N1CCN(C)CC1 264051237 YIKAHEJUOOMNMW-LLVKDONJSA-N 293.371 -0.578 50 20 CBGD COCCN1C[C@H](C(=O)NNc2ncncc2F)CC1=O 293965529 KAKBVVONPKEJMM-MRVPVSSYSA-N 297.290 -0.446 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCCN1C(=O)CNC1=O 490752768 FNTZGKZZSPRSPI-CMDGGOBGSA-N 280.284 -0.512 50 20 CBGD C[C@@H](NC(=O)c1cccc(B(O)O)c1)[C@@H](C)n1cccn1 584944098 AWDCQSYJKIRWGE-GHMZBOCLSA-N 287.128 -0.058 50 20 CBGD COC(C)(C)CN(C)C(=O)c1cccc(B(O)O)c1 584958532 PJKROVHQHIXENC-UHFFFAOYSA-N 265.118 -0.137 50 20 CBGD C[C@]1(F)CCN(C(=O)c2ccc(B(O)O)cc2)C1 584969307 LDAHPSCUOHUJGD-LBPRGKRZSA-N 251.066 -0.060 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC(O)(C(F)F)CC1 584974342 NKAVUJVMSSKKNJ-UHFFFAOYSA-N 299.082 -0.401 50 20 CBGD N#CC1(CNC(=O)c2ccc(B(O)O)c(F)c2)CC1 584982852 JATMLAZEQXQECK-UHFFFAOYSA-N 262.049 -0.461 50 20 CBGD CS[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584995983 UBXFENVHUAUSSJ-NSHDSACASA-N 265.143 -0.056 50 20 CBGD C[C@H]1[C@H](CO)CCCN1C(=O)c1cc(B(O)O)ccc1F 585000041 IUOWIJQTMSKIBY-UWVGGRQHSA-N 295.119 -0.262 50 20 CBGD C[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)[C@H]1CCO 585007037 TYRFAQRCJJJWNZ-RISCZKNCSA-N 291.156 -0.011 50 20 CBGD OB(O)c1ccc(CNC[C@H](O)c2ccco2)o1 585018516 XHVMYOPYXTUOTR-VIFPVBQESA-N 251.047 -0.624 50 20 CBGD O=S(=O)(c1ccc(F)nc1)N1CC[C@H](B(O)O)C1 585057599 WHLNBLNGDFLZAV-ZETCQYMHSA-N 274.082 -0.542 50 20 CBGD O=C(NCB(O)O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 585061770 GKMUNNFQMZIROP-ZETCQYMHSA-N 298.054 -0.554 50 20 CBGD NC(=O)NCCC(=O)NNC(=S)NCC1CCC1 727866439 HYSYSGDPANMVNR-UHFFFAOYSA-N 273.362 -0.660 50 20 CBGD O=C(CO)NNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 753451704 HQOHEPQOIPGPPV-UHFFFAOYSA-N 290.235 -0.104 50 20 CBGD Cc1cc(CC(=O)NN=Cc2cnn(C)c2N)n[nH]1 814786626 DCFJNEILFQRMGV-UHFFFAOYSA-N 261.289 -0.273 50 20 CBGD CC(=O)NNC(=O)Cc1cccc(-c2nn[nH]n2)c1 819811012 UFDWNTIWOJJAMK-UHFFFAOYSA-N 260.257 -0.424 50 20 CBGD C[C@H](CO)N(C)NC(=O)CCCCc1cnn[nH]1 823935139 NOTFFBKMVXYMGE-SECBINFHSA-N 255.322 -0.139 50 20 CBGD CC(=O)N1CC[C@](C)(C(=O)NN(C)[C@@H](C)CO)C1 823952093 OEUJGQNWHOTRAK-CABZTGNLSA-N 257.334 -0.411 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)[C@@H]3C[C@@H]3C(=O)O)nc21 833061293 CELDWLJMXGFMMB-UHNVWZDZSA-N 292.255 -0.767 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H]1CC(=O)N(CCC)C1 840290780 HJBMCWDVPVUJHS-SECBINFHSA-N 270.333 -0.015 50 20 CBGD CNCCNC(=O)NNC(=O)COCc1ccccc1 841935571 YBDDHKIRWJNRLR-UHFFFAOYSA-N 280.328 -0.247 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@](C)(CN)C1 843382970 UOABKGHZACIXQA-JOYOIKCWSA-N 256.350 -0.397 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ncccc1O 843970699 JOLVHWLQHUNCJD-YUMQZZPRSA-N 265.269 -0.027 50 20 CBGD CNC(=S)N(C)NC(=O)c1cnc(N(C)C)cn1 854922502 AQWKDLFSVDGJRG-UHFFFAOYSA-N 268.346 -0.377 50 20 CBGD CC(C)CCO[C@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862452679 GVERFIQKYJNCDM-ZJUUUORDSA-N 285.344 -0.136 50 20 CBGD Cc1cc(=NNC(=O)CN2C(=O)CN(C)C2=O)cc[nH]1 862509505 OQKLCNZQOLYWQY-UHFFFAOYSA-N 277.284 -0.851 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C1[C@@H]2CCCC[C@@H]12 863463190 UTGGZJCQMICXOU-HTQZYQBOSA-N 274.342 -0.385 50 20 CBGD CN1C(=O)CN(CC(=O)NNc2ccc(F)cn2)C1=O 874647844 UTONVXDCIHMFBI-UHFFFAOYSA-N 281.247 -0.442 50 20 CBGD CON(C)C(=O)[C@@H](C)NC(=O)NN=c1cc[nH]c(C)c1 875907125 SSJKFFXYRFSSNC-SECBINFHSA-N 281.316 -0.154 50 20 CBGD COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCCl 881935363 JSYXOWXAUMQVGY-SFYZADRCSA-N 285.749 -0.447 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1CCCC(=O)N1C 887153117 IOJZIKATFONNKV-SNVBAGLBSA-N 265.313 -0.052 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)C2CCC2)C(=O)O1 896346284 WBOOGQCFSNUHMT-HTRCEHHLSA-N 255.274 -0.179 50 20 CBGD CC(C)(CN1CCOCC1)C(=O)N1CC[C@H](B(O)O)C1 902551426 GEXKNPOSYDRLRT-NSHDSACASA-N 284.165 -0.580 50 20 CBGD CC(C)N1CCC[C@@H]1C(=O)NNC(=O)Cc1cc[nH]n1 932156449 FFTGAFMRIBYRNS-LLVKDONJSA-N 279.344 -0.028 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1ccc[nH]1)[C@@H]1CCC(=O)N1 1118803814 OUSPWISMEOQLKW-SFYZADRCSA-N 264.285 -0.310 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1CCCN(C)C1=O 1261786593 LRUQPVFRBFLYLW-GUBZILKMSA-N 298.343 -0.637 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@]1(C)CCNC1=O 1261904257 AHFRRKOCMDMVFB-SNVBAGLBSA-N 258.347 -0.584 50 20 CBGD COCC(=O)NCCC(=O)NNC(=O)CC1CCCC1 1318098175 BVZIRSKAXQTUPQ-UHFFFAOYSA-N 285.344 -0.133 50 20 CBGD C#Cc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cn1 1318256504 KBYSCYATGHYNAB-UHFFFAOYSA-N 274.280 -0.652 50 20 CBGD N#Cc1ncn(CC(=O)NNC(=O)NCc2ccco2)n1 1319261319 DZCSTXVRVRUFNT-UHFFFAOYSA-N 289.255 -0.727 50 20 CBGD CCNC(=O)CN1CCCN(C(=O)CCl)CC1 1319674005 AENHRETXUUNTBX-UHFFFAOYSA-N 261.753 -0.104 50 20 CBGD COC(=O)NNS(=O)(=O)c1cnc2c(cnn2C)c1 1320430895 NJCJAPRRQJFAJB-UHFFFAOYSA-N 285.285 -0.482 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c[nH]c(C)cc1=O 1320492637 ZVQOIJOVUDJKGU-MRVPVSSYSA-N 295.295 -0.214 50 20 CBGD CCc1ncc(NC(=O)NNC(=O)CCO)cn1 1323984809 DKCPAPBYCBZNGC-UHFFFAOYSA-N 253.262 -0.426 50 20 CBGD CC(C)C(=O)NNC(=O)c1c(Br)nnn1C 1324147135 IJLPHINJAJCQSR-UHFFFAOYSA-N 290.121 -0.005 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@]2(F)CCOC2)n1 1324635515 SBFWFWHXFFBEHH-LBPRGKRZSA-N 284.291 -0.224 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cc2n(n1)CCCC2 1324845523 NCGOUJGKAIZUFN-UHFFFAOYSA-N 279.300 -0.285 50 20 CBGD Cn1ccc(NNC(=O)c2ccc(C(N)=O)nc2)n1 1324865135 YZMOXTMBYPHKNI-UHFFFAOYSA-N 260.257 -0.329 50 20 CBGD Nc1cnnc(NNC(=O)[C@]2(O)CCOC2)c1Cl 1328665414 GYZDTXLDSVTHID-VIFPVBQESA-N 273.680 -0.693 50 20 CBGD C[C@@H](CS(C)(=O)=O)C(=O)NNc1ncnc2[nH]cnc12 1330616103 VZNPOEJQHXQQJN-LURJTMIESA-N 298.328 -0.523 50 20 CBGD C[C@H](Cc1cnn(C)c1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1331803243 NICWJTSSPCJIGX-PSASIEDQSA-N 293.327 -0.975 50 20 CBGD O=C(CC1CC1)NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1337288789 DYRYSDNNPHNSIF-JBLDHEPKSA-N 268.313 -0.015 50 20 CBGD NS(=O)(=O)c1ccc(C(=O)NNc2ncccn2)cc1 1339802218 HAFOKBGFSHPXRE-UHFFFAOYSA-N 293.308 -0.119 50 20 CBGD COC(=O)CC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1579445901 NCLGGYOTOIIEPW-UHFFFAOYSA-N 277.244 -0.732 50 20 CBGD O=C(NNC(=O)[C@@H]1CCN1)c1cccc2oc(O)nc12 1580733172 OHPGRBOTILYKLR-ZETCQYMHSA-N 276.252 -0.344 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1scc(C(=O)O)c1C 1589150622 YACRXVWMDCATFS-UHFFFAOYSA-N 285.281 -0.139 50 20 CBGD O=C(NNc1cccnn1)c1cc(-c2nn[nH]n2)ccn1 1593166557 GAGZJOZQLUJMCP-UHFFFAOYSA-N 283.255 -0.191 50 20 CBGD O=C(NCc1ccc(C(=O)O)o1)c1ccc(B(O)O)cc1 1608467196 BZCWVJVNGHOFDP-UHFFFAOYSA-N 289.052 -0.412 50 20 CBGD N#CC1=CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1647132690 KTUAYLKVWFLRLR-NSHDSACASA-N 283.353 -0.555 50 20 CBGD C#CCNC(=O)NNC(=O)COc1ccccc1C#N 73257713 YBTQVLMKYAQOPE-UHFFFAOYSA-N 272.264 -0.099 50 20 CBGD CC(=O)N[C@@H](C(=O)NNC(=O)c1cccn1C)C(C)C 78478392 QETVKLOQLNFBLY-LLVKDONJSA-N 280.328 -0.053 50 20 CBGD CN1CCN(S(=O)(=O)CCCCl)CC1=O 82775029 MCRCNFXVBPPWFC-UHFFFAOYSA-N 254.739 -0.281 50 20 CBGD CC(C)N(C)S(=O)(=O)NNC(=O)c1cccn1C 266145517 BBRHSDJXVSILDT-UHFFFAOYSA-N 274.346 -0.156 50 20 CBGD COC(=O)N1CC(NC(=O)NNC(=O)c2ccc(C)o2)C1 269303022 VKVWYLZMJPSORM-UHFFFAOYSA-N 296.283 -0.017 50 20 CBGD CCN1C[C@H](C(=O)NNC(=O)NCC(F)(F)F)CC1=O 280857729 AWJDQSWHLUGYMQ-ZCFIWIBFSA-N 296.249 -0.253 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1ncccc1F 285825560 CDQJNFGIUOGIJV-UHFFFAOYSA-N 270.264 -0.231 50 20 CBGD COC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)Cc1ccncc1 286149863 OTOXYDFHLNICND-QWRGUYRKSA-N 291.307 -0.029 50 20 CBGD COCCN(C)NC(=O)CNc1ccccc1C(N)=O 293710969 URMIFKHLMJRLLX-UHFFFAOYSA-N 280.328 -0.193 50 20 CBGD Cc1cn2c(n1)CC[C@H](NC(=O)c1cccc(B(O)O)c1)C2 584937460 UZPWUHWEMSNVMM-ZDUSSCGKSA-N 299.139 -0.384 50 20 CBGD CC(C)COCCNC(=O)c1ccc(B(O)O)cc1 584938488 HKIGFAKXHHMWMZ-UHFFFAOYSA-N 265.118 -0.231 50 20 CBGD NC(=O)C[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584955208 PDFDFQGAWDRBHQ-SNVBAGLBSA-N 290.128 -0.906 50 20 CBGD COc1ccc([C@@H](O)CNCc2ccc(B(O)O)o2)cc1 585017671 HNABALKQTDEYNQ-ZDUSSCGKSA-N 291.112 -0.209 50 20 CBGD CCNC(=O)N1CC[C@H](NCc2ccc(B(O)O)cc2)C1 585031160 SKCOGAVYZCXFJP-ZDUSSCGKSA-N 291.160 -0.740 50 20 CBGD CO[C@]1(CNCc2ccc(B(O)O)cc2F)CCOC1 585037101 VLVPJTXQZQZCBY-ZDUSSCGKSA-N 283.108 -0.599 50 20 CBGD CC(C)(O)C(C)(C)CNCc1ccc(B(O)O)o1 585044369 GZVMWRSAAJADIR-UHFFFAOYSA-N 255.123 -0.154 50 20 CBGD Cc1ncc([N+](=O)[O-])cc1C(=O)NNC(=O)c1cnn[nH]1 729456294 AXMJSVOEKBQZKB-UHFFFAOYSA-N 291.227 -0.509 50 20 CBGD CNC(=O)NNS(=O)(=O)N1CCc2ccccc2C1 732747184 MZLAOUZBOZKWIP-UHFFFAOYSA-N 284.341 -0.277 50 20 CBGD CCOCC(=O)NNC(=O)NCCN(C)C1CC1 732891441 IMXMVNIZOIDBNL-UHFFFAOYSA-N 258.322 -0.553 50 20 CBGD Cn1cc(C(=O)NNC(=O)C2=COCCO2)cn1 735445186 MIPLZRVKIYWIHC-UHFFFAOYSA-N 252.230 -0.931 50 20 CBGD CN(C)S(=O)(=O)NNC(=O)c1cccc(C#N)c1 742029735 QLQJDCXUJRPWPD-UHFFFAOYSA-N 268.298 -0.401 50 20 CBGD Cn1cc(/C=C\C(=O)NNC(=O)N2CCOCC2)cn1 745991889 IVAJEWVDUOLJPN-IHWYPQMZSA-N 279.300 -0.494 50 20 CBGD O=C(NNC(=O)C1CCC1)N[C@@H]1CC(=O)N(C2CC2)C1 750655877 WAMNLJKOFUAZMM-SECBINFHSA-N 280.328 -0.120 50 20 CBGD CC(C)NC(=O)CCCC(=O)NNC(=O)Cc1cc[nH]n1 755284675 VLPBZKAMQVQGGD-UHFFFAOYSA-N 295.343 -0.206 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)C1(NC(N)=O)CC1 767327350 LORYXJGFGKGDGL-UHFFFAOYSA-N 273.362 -0.519 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cn(-c2ccccc2)nn1 768242789 AWQAFJUZHAITLI-UHFFFAOYSA-N 289.295 -0.201 50 20 CBGD CN(NC(=O)CS(=O)(=O)C1CCCC1)C(N)=O 770436316 DWCKXOHOFGLWMX-UHFFFAOYSA-N 263.319 -0.615 50 20 CBGD C[C@@H](O)C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772885331 ZOGCCCITZIWNPY-SSDOTTSWSA-N 299.714 -0.516 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](CC)CO 779785287 GVVHCYRQTDAMRH-QMMMGPOBSA-N 273.333 -0.543 50 20 CBGD N#CCCCOc1cccnc1NC(=O)NNC(=O)CO 786148709 DBLAIOYQVNNCPI-UHFFFAOYSA-N 293.283 -0.091 50 20 CBGD O=C(CO)NNC(=O)c1cccnc1C(F)(F)F 788591309 OYPRDCBJNRMZPI-UHFFFAOYSA-N 263.175 -0.146 50 20 CBGD CSC1(C(=O)NNC(=O)N2CCOCC2)CC1 789747107 DRWZVIYBPAXNEA-UHFFFAOYSA-N 259.331 -0.045 50 20 CBGD Nc1nccc(C(=O)NNC(=O)C2CC2)c1[N+](=O)[O-] 791197591 SGTMGKSOKFSRNG-UHFFFAOYSA-N 265.229 -0.257 50 20 CBGD CN1CC[C@@H](C(=O)NNc2nc3ccccn3n2)C1=O 791258348 GTCCZIRCUQDOGA-QMMMGPOBSA-N 274.284 -0.349 50 20 CBGD C#CCOCCC(=O)NNC(=O)N1CCN(C)CC1 807382182 APHXMKOOFSMWFM-UHFFFAOYSA-N 268.317 -0.986 50 20 CBGD CC(=O)NNC(=O)c1ccc(N2CCNC2=O)cc1 812554885 ZHHMTRADVRHZCZ-UHFFFAOYSA-N 262.269 -0.003 50 20 CBGD CCCCNC(=O)NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 821072473 SRJQTRMBKKNZKI-UHFFFAOYSA-N 292.303 -0.061 50 20 CBGD COC(=O)c1cccn(CC(=O)NN(C)C2CC2)c1=O 823250848 JKCFDBSFEJYJHS-UHFFFAOYSA-N 279.296 -0.240 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O 823983366 RLYUHDNXSPWVGZ-ZJUUUORDSA-N 293.389 -0.856 50 20 CBGD O=C(Cn1cncn1)NNc1ccc(-c2nn[nH]n2)cc1 826425368 AFCXLABDZPPACJ-UHFFFAOYSA-N 285.271 -0.399 50 20 CBGD COCCc1cc(NC(=O)NNC(=O)O)n(C)n1 831788289 NRNKMJDCODUJOT-UHFFFAOYSA-N 257.250 -0.087 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H]1[C@H](C)NCC[C@H]1C 842476880 VLQHFWJDMHMPSP-FYLLDIAZSA-N 270.377 -0.092 50 20 CBGD O=C(CO)NNC(=O)Cc1ccc2c(c1)CCCO2 844137600 OKELCQPSWVFCEJ-UHFFFAOYSA-N 264.281 -0.306 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCCS(=O)(=O)C1 845925607 LVFJFBANQRTHOT-MRVPVSSYSA-N 277.346 -0.496 50 20 CBGD O=C(NNc1ncccc1F)[C@H]1CCS(=O)(=O)N1 846125071 ODLRRTFUPDDECQ-SSDOTTSWSA-N 274.277 -0.645 50 20 CBGD O=C(Cn1cccnc1=O)NNC(=S)NCC1CCC1 855091717 AYHNKQYSHHZGFU-UHFFFAOYSA-N 295.368 -0.461 50 20 CBGD C[C@@]1(C(=O)NNC(=O)c2cc[nH]n2)CCCOC1 855356216 JAFDCCMUJHPDOP-LLVKDONJSA-N 252.274 -0.013 50 20 CBGD Cn1nncc1NNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21 857269673 DROXKWGLQMLXOJ-IVZWLZJFSA-N 292.343 -0.047 50 20 CBGD CC(C)[C@@H]1C[C@H]1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858518155 MERYJXHAHKGLSO-GUBZILKMSA-N 282.344 -0.113 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@H]1C(N)=O 859665071 NSYLMIZOHNZRGM-ZJUUUORDSA-N 284.360 -0.482 50 20 CBGD Cc1cc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)sn1 860727936 LNUSLDUEGMETPD-LURJTMIESA-N 283.313 -0.117 50 20 CBGD Cc1nccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 860932742 FSCUAASBLYUSCJ-ZETCQYMHSA-N 278.272 -0.784 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc(Cl)ccn2)N1 862450275 PZAODUXOVLWNBX-SSDOTTSWSA-N 282.687 -0.225 50 20 CBGD CC(=O)N[C@H](C(=O)NNC(=O)c1cn[nH]c1)C(C)(C)C 862469481 LRBXZWVUSFPGIZ-SECBINFHSA-N 281.316 -0.279 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@H]2CCCO2)n[nH]1 869012706 BEPYPUGFYXSYLW-VIFPVBQESA-N 252.274 -0.413 50 20 CBGD CCn1cc(C(=O)NNC(=O)COCCOC)c(C)n1 869900383 BVNRKTMYVDYZAE-UHFFFAOYSA-N 284.316 -0.365 50 20 CBGD O=C1CNC(=O)N1CCCNS(=O)(=O)CCCCl 881871598 OPJJQDULBNYXEQ-UHFFFAOYSA-N 297.764 -0.523 50 20 CBGD CN1CCN(CC(=O)NNc2ccc(C#N)cn2)CC1 899662556 XSQRMESKUKIGAU-UHFFFAOYSA-N 274.328 -0.356 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 913433440 IEZLBEACDVBTRL-WHGOUJPWSA-N 270.285 -0.978 50 20 CBGD COC[C@](C)(O)C(=O)NNc1nncc(N)c1Cl 1116298759 ZEUHKURTLFJPCR-VIFPVBQESA-N 275.696 -0.447 50 20 CBGD NC(=O)c1ccc(C(=O)NNc2ncc(F)cn2)cn1 1116406995 DLLBETQAFJOLNV-UHFFFAOYSA-N 276.231 -0.134 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(C#N)n1 1118139786 WOWWZHUDBMCQDZ-UHFFFAOYSA-N 291.267 -0.924 50 20 CBGD CC(F)(F)C1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 1118943505 OXWUDSWMLBDRFS-LURJTMIESA-N 275.255 -0.152 50 20 CBGD Cc1nn(C)cc1CCC(=O)NNC(=O)C(C)(C)O 1255920537 YPLWBPFTYKQALX-UHFFFAOYSA-N 268.317 -0.421 50 20 CBGD Cc1noc(CCC(=O)NNC(=O)c2c[nH]nc2C)n1 1318389135 NDFORBUQNLUJBO-UHFFFAOYSA-N 278.272 -0.197 50 20 CBGD N#CCCCCNC(=O)NNC(=O)C(=O)N1CCCC1 1318509646 NRGGYZTWQSBUPS-UHFFFAOYSA-N 281.316 -0.367 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)Cc1c(C)noc1C 1318881954 FVUJERTVHXVQLF-LURJTMIESA-N 298.299 -0.274 50 20 CBGD Cc1cc(C(=O)NNC(=O)C[C@@H]2COC(=O)C2)n[nH]1 1324558198 JSWYPPYREIKIKO-ZETCQYMHSA-N 266.257 -0.568 50 20 CBGD COCCCNC(=O)NNC(=O)C[C@@H]1CCC(=O)N1 1327862258 ITHYRQWULSLPRC-QMMMGPOBSA-N 272.305 -0.978 50 20 CBGD O=C(NCC[C@@]1(O)CCCOC1)NNC(=O)c1cn[nH]c1 1328799135 JVDQGTRCYQUWCQ-LBPRGKRZSA-N 297.315 -0.715 50 20 CBGD Cc1cc(=NNC(=O)c2cnn(C[C@H](O)CO)c2)cc[nH]1 1329079387 XHTWMQILLYTARP-LBPRGKRZSA-N 291.311 -0.881 50 20 CBGD O=S(=O)(C[C@H]1CCCOC1)N1CC[C@@H](B(O)O)C1 1331894747 GCVBJUHHOTWBOU-VHSXEESVSA-N 277.151 -0.709 50 20 CBGD CC(=O)N1CCC[C@@H](C(=O)NNC(=O)Cc2cc[nH]n2)C1 1337768027 UVGLDRBALLXGFP-SNVBAGLBSA-N 293.327 -0.642 50 20 CBGD CCn1ccnc1C(=O)NNC(=O)C(=O)N1CCCC1 1343689545 ROHILWLCKLAUSA-UHFFFAOYSA-N 279.300 -0.714 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@H]1CCCCN1C 1346694836 IMYHYOMBVAZGQM-SNVBAGLBSA-N 272.349 -0.162 50 20 CBGD CNC(=S)N(C)NC(=O)Cc1nnc(N)s1 1347036444 ICDBFISAEPSCOK-UHFFFAOYSA-N 260.348 -0.870 50 20 CBGD CO[C@@H](C)CNC(=O)NNC(=O)C1CCNCC1 1350324062 VMUCEEHMGZXBIT-QMMMGPOBSA-N 258.322 -0.649 50 20 CBGD Cc1cc(NNC(=O)[C@H]2CN3CCN2C[C@@H]3C)nc(N)n1 1520450174 GAAWGMKKQGWLQX-VHSXEESVSA-N 291.359 -0.801 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@]1(C(=O)O)CCCO1 1574415797 IQKPZXFAYMBFHZ-NSHDSACASA-N 282.256 -0.887 50 20 CBGD C[C@@H](CN(C)C(=O)c1ccc(B(O)O)cc1)C(=O)O 1589028513 HKZOMBROGQBXII-QMMMGPOBSA-N 265.074 -0.841 50 20 CBGD C[C@@]1(C(=O)NNC(=O)[C@H](C(=O)O)C2CC2)CCCO1 1589181591 OXCKQFNOUXZJHL-PELKAZGASA-N 270.285 -0.186 50 20 CBGD CNC(=O)CC(=O)NNc1ccc(-c2nn[nH]n2)cc1 1591203691 FAVVZQIBWYERPR-UHFFFAOYSA-N 275.272 -0.554 50 20 CBGD CO[C@@](C)(C1CC1)[C@@H](C)NC(=O)NNC(=O)C(=O)O 1599036397 WCIUZNYOTIQFMF-KSBSHMNSSA-N 273.289 -0.395 50 20 CBGD O=C(O)C(=O)NNC(=S)NCCc1cccs1 1601635178 BQSJDZYQHXUWPM-UHFFFAOYSA-N 273.339 -0.130 50 20 CBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)c1ccc(=O)n(C)c1 1604094994 LRUWPDSJIJLKFQ-ZETCQYMHSA-N 281.268 -0.743 50 20 CBGD COCCN(C)NC(=O)c1cc(C(=O)O)nn1C 1604583877 HVFFVLGAFSRXTI-UHFFFAOYSA-N 256.262 -0.659 50 20 CBGD Cn1cc(C(=O)NNC(=O)C2(C(=O)O)CC2)cn1 1608098537 MGUPPVFOOYZCLE-UHFFFAOYSA-N 252.230 -0.954 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H](CCCO)c1ccccc1 1608478376 XOPAIOAOFCPVIH-JTQLQIEISA-N 295.295 -0.085 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCC1(C(=O)O)CC1 1609878404 HPHJHNIUKJISOL-SFYZADRCSA-N 285.300 -0.393 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCCn2cncn2)[nH]n1 151172081 MFUIXISUMAAXBX-UHFFFAOYSA-N 277.288 -0.449 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)C1(O)CCCC1 263678068 KJRFTFIIWGUANO-UHFFFAOYSA-N 295.295 -0.538 50 20 CBGD CCCC[C@@H](NC(N)=O)C(=O)NN(C)C(=O)NCC 274529187 QIWNKRNNBMVVBF-MRVPVSSYSA-N 273.337 -0.094 50 20 CBGD Cc1cc(O)cc(=O)n1CCC(=O)NNC(=O)C(C)(C)O 277969571 NHGGKWMRWAYWDC-UHFFFAOYSA-N 297.311 -0.829 50 20 CBGD COc1ccc(NNC(=O)NCCNC(C)=O)nc1 278952315 NDKXVZJGFJAYBE-UHFFFAOYSA-N 267.289 -0.148 50 20 CBGD O=C(NNc1cnccn1)[C@H]1COCCN1CC(F)F 287284733 BBJNEHFCVBFYMN-MRVPVSSYSA-N 287.270 -0.114 50 20 CBGD CCc1c(C(=O)NNC(=O)CN(C)C)ccn1C 290242640 CAOBLBFNMFTRPE-UHFFFAOYSA-N 252.318 -0.090 50 20 CBGD COCCOCCCNC(=O)c1ccc(B(O)O)cc1 584925824 PIGIMLPUOIMURJ-UHFFFAOYSA-N 281.117 -0.851 50 20 CBGD CS[C@H](CO)[C@H](C)NC(=O)c1cccc(B(O)O)c1 584962649 JIXHCINFRJVMES-GZMMTYOYSA-N 283.158 -0.791 50 20 CBGD C[C@@H]1COCC[C@H]1CNC(=O)c1cccc(B(O)O)c1 584989555 QIEWGOTVHHEYII-PWSUYJOCSA-N 277.129 -0.231 50 20 CBGD CO[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C[C@@H]1C 584998296 PBQTVGZVNGDBPW-GWCFXTLKSA-N 277.129 -0.137 50 20 CBGD CC(C)Oc1cncc(S(=O)(=O)NCB(O)O)c1 585057386 SJMOFIFHPSBQGT-UHFFFAOYSA-N 274.107 -0.841 50 20 CBGD O=C(c1cccc(-n2ccnn2)c1)N1CC[C@H](B(O)O)C1 585065646 JJCAGOWVBURNFS-NSHDSACASA-N 286.100 -0.044 50 20 CBGD Cc1n[nH]cc1C=NNC(=O)[C@H](C)NS(C)(=O)=O 728434885 RGCLPJXRASBDMO-ZETCQYMHSA-N 273.318 -0.894 50 20 CBGD CCN(CC(=O)NNC(=O)C1CC1)C[C@H]1CCOC1 734152143 PWPGNHUMQVOIPV-SNVBAGLBSA-N 269.345 -0.098 50 20 CBGD NC(=O)CSCC(=O)NNC(=O)c1ccccn1 735646739 KPSPLQREMIAKHW-UHFFFAOYSA-N 268.298 -0.939 50 20 CBGD Cc1ccc(C(=O)NNS(=O)(=O)c2ccn(C)n2)o1 753085294 LBNUAACEHMLPNG-UHFFFAOYSA-N 284.297 -0.055 50 20 CBGD CC[C@@H](SC)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758030312 PQLBMLMQJFTSHJ-RNFRBKRXSA-N 297.402 -0.787 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@H](C)CCS(C)(=O)=O 762094437 JQPHPMOKUIQSTR-MRVPVSSYSA-N 279.362 -0.204 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)N(C)CCO2 763518068 OLEHDEOXNHQBJE-UHFFFAOYSA-N 292.295 -0.379 50 20 CBGD CN(NC(=O)C[C@H](NC(N)=O)c1cccs1)C(N)=O 770438358 RRWAOENWAMYVNA-LURJTMIESA-N 285.329 -0.111 50 20 CBGD Cc1ccc(F)c2c1NC(=O)C2=NNC(=O)CO 776779726 KGIFENHCZHPKAG-UHFFFAOYSA-N 251.217 -0.101 50 20 CBGD CN1CCN(CC(=O)NNc2ncncc2Cl)CC1 781826503 WWUTWIYRFJJMHM-UHFFFAOYSA-N 284.751 -0.180 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CSC[C@@H]1C 794905208 SHMLEFCHERUZAU-BQBZGAKWSA-N 279.387 -0.221 50 20 CBGD CCOC(=O)NNC(=O)c1c(Br)nnn1C 809982992 WQKCTXKDFAPKRO-UHFFFAOYSA-N 292.093 -0.032 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cccnc1N1CCOCC1 821218268 WWTQOTANOHYBDF-NSHDSACASA-N 294.355 -0.124 50 20 CBGD CCC(=O)N1CCC[C@@H](C(=O)NN(CC)CCO)C1 823852994 WFYSVDDHZXSPEW-LLVKDONJSA-N 271.361 -0.020 50 20 CBGD CCN(CC)C(=O)CCC(=O)NN(C)[C@@H](C)CO 823945973 BGYUQYUGZBZNMN-JTQLQIEISA-N 259.350 -0.021 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccc(-n2ccnc2)nn1 823964843 FCHHQCAUKKLVSN-VIFPVBQESA-N 276.300 -0.380 50 20 CBGD CC[C@H]1COCCN1CC(=O)NNC(=O)C(C)C 827840226 LKKHUDKVQJKYHI-JTQLQIEISA-N 257.334 -0.099 50 20 CBGD O=C1NCC[C@@H]1C(=O)NNc1ncncc1Cl 832672583 VUJJTYGKMIXJNZ-YFKPBYRVSA-N 255.665 -0.291 50 20 CBGD O=C(NNc1cc(Cl)ccn1)[C@@H]1CCS(=O)(=O)N1 845923739 PJEVHRRNPVWELR-ZETCQYMHSA-N 290.732 -0.130 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCS1(=O)=O)c1ccccc1O 848368037 RLUQJGCSNDMIKE-JTQLQIEISA-N 298.320 -0.270 50 20 CBGD CC(Cn1cncn1)=NNC(=O)[C@@H](C)CN1CCOCC1 853278497 BZTWKGYOTTUUMK-NSHDSACASA-N 294.359 -0.262 50 20 CBGD CNC(=S)N(C)NC(=O)COC[C@@H]1CCCO1 854924180 QUWHVQGRZFKXGU-QMMMGPOBSA-N 261.347 -0.351 50 20 CBGD C[C@H](CNC(=O)NNC(=O)c1cn[nH]c1)N(C)C1CC1 858284211 YNWJVQKFHYXVRL-MRVPVSSYSA-N 280.332 -0.164 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc([N+](=O)[O-])s2)N1 862448857 ICCQPHKUXCZSDW-YFKPBYRVSA-N 298.280 -0.304 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2Cc3ccc(F)cc32)N1 862460080 ZLUZGOVVRJPAQH-MNOVXSKESA-N 291.282 -0.109 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CC1(O)CCCCC1 863463759 SVCUIGPKGOZWHW-UHFFFAOYSA-N 292.357 -0.736 50 20 CBGD O=C(NCCOCCF)c1cccc(B(O)O)c1 863885410 ISUXHWOGLOZAPE-UHFFFAOYSA-N 255.054 -0.918 50 20 CBGD CN1CC[C@@H]2CN(C(=O)c3cccc(B(O)O)c3)C[C@@H]2C1 868452347 NHAOMTWLWYIUJO-OLZOCXBDSA-N 288.156 -0.610 50 20 CBGD COc1nn(C)cc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 883972725 SMVOXDJVPWMRKP-JGVFFNPUSA-N 282.300 -0.385 50 20 CBGD O=C(O)C1=CC[C@H](NCc2ccc(B(O)O)cc2)C1 901733603 SZEUCQZOAYHPMA-LBPRGKRZSA-N 261.086 -0.371 50 20 CBGD O=C(Cn1cccn1)NNC(=O)CC(F)(F)F 918364125 KPTOZSQAZFCCJD-UHFFFAOYSA-N 250.180 -0.017 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCOCC1 921059122 REFZONNYYGOGPW-SNVBAGLBSA-N 257.334 -0.099 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1COC[C@@H]1C 926008736 BSJBQEMFLAFXFR-IVZWLZJFSA-N 289.332 -0.597 50 20 CBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)CCN1C 1116168613 OCNMRUZNSBBZSM-WPRPVWTQSA-N 297.359 -0.922 50 20 CBGD COC(=O)C(=O)NNC(=O)NOC1CCCCC1 1116680598 BDYUUOHQWKGWIK-UHFFFAOYSA-N 259.262 -0.246 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1ccc(F)cn1 1119593904 YJJSCZWWETXICC-UHFFFAOYSA-N 282.275 -0.565 50 20 CBGD Cn1ccc(NNC(=O)[C@@H]2CSCC(=O)N2)n1 1120071819 NFOWSTUZABJUCQ-LURJTMIESA-N 255.303 -0.905 50 20 CBGD CC(C)c1ncc(C(=O)NNC(=O)C(=O)N2CCCC2)[nH]1 1252074898 WEKCOABVUJWSKJ-UHFFFAOYSA-N 293.327 -0.084 50 20 CBGD CC(C)N1CCC(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 1261842228 QSOACQTVZANKRV-NSHDSACASA-N 296.371 -0.467 50 20 CBGD COC(=O)[C@@H](NNC(=O)c1cnn(C)c1)c1cccnc1 1324166696 GLBRVECYSDWVTM-NSHDSACASA-N 289.295 -0.036 50 20 CBGD NC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)Cc2cc[nH]n2)C1 1324409499 VYCVMVDTEZGUKV-RKDXNWHRSA-N 293.327 -0.609 50 20 CBGD CS(=O)(=O)C1(C(=O)NNC(=O)Cc2ccncc2)CC1 1326786562 FYMGWQCWPQAUSX-UHFFFAOYSA-N 297.336 -0.651 50 20 CBGD COCCN(C)NC(=O)C1CCC2(CC1)NC(=O)NC2=O 1326824546 WVDJHRNZRQKDGZ-UHFFFAOYSA-N 298.343 -0.636 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@@H]1CCC(=O)NC1 1327166576 CWZLMUOAVHTLKE-LPEHRKFASA-N 283.328 -0.525 50 20 CBGD Cc1oc(C#N)cc1C(=O)NNC(=O)CS(C)(=O)=O 1329586409 CAKQDCQDQVPADH-UHFFFAOYSA-N 285.281 -0.735 50 20 CBGD CCOC(=O)c1ccc(C=NNC(=O)C(N)=O)o1 1339893058 RXXJZABFJARIHU-UHFFFAOYSA-N 253.214 -0.608 50 20 CBGD O=C(/C=C/c1nccs1)NNC(=O)CN1CCCC1=O 1350027880 OHSHWYPHFGWJAD-ONEGZZNKSA-N 294.336 -0.074 50 20 CBGD Nc1ncnc2c1ncn2CCC(=O)NNC(=O)C1CC1 1350526350 YZNCDIJBNKDODV-UHFFFAOYSA-N 289.299 -0.644 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1nnnn1C 1521807923 WPQMBVRWWFLIAJ-FXQIFTODSA-N 297.319 -0.974 50 20 CBGD CC#CC[C@H](N)C(=O)NNc1cc(Cl)nc(N)n1 1574973918 ZQURMBTZDBROOH-LURJTMIESA-N 268.708 -0.104 50 20 CBGD COC[C@H](N)C(=O)NNC(=O)c1cc2c(s1)CCC2 1579086842 GTVYPJZWCYIDOL-QMMMGPOBSA-N 283.353 -0.029 50 20 CBGD O=C(CN1CC[C@H]2CNC[C@H]21)NNC(=O)c1ccccc1 1580551502 KVBMFDGICPBPLN-QWHCGFSZSA-N 288.351 -0.259 50 20 CBGD O=C(NNC(=O)[C@]12C[C@H]1CCCN2)c1ccncc1 1580735990 KNZSXPCNHRAACG-MFKMUULPSA-N 260.297 -0.015 50 20 CBGD CC(C)(C)[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)O 1589718605 WCONVUNXOVUTSV-SNVBAGLBSA-N 279.101 -0.405 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCC2(CC1)C[C@H]2C(=O)O 1590940162 RKSVBTOSCBMEMU-JTQLQIEISA-N 297.355 -0.024 50 20 CBGD COC(=O)c1ccc(NNC(=O)COCC(=O)O)nc1 1593882918 HAZMZNGTMKXVPC-UHFFFAOYSA-N 283.240 -0.588 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)[C@@H]1CC[C@H]1C(=O)O 1594735520 AKGYUIDVKBGSBG-RFZPGFLSSA-N 283.206 -0.010 50 20 CBGD O=C(O)Cn1cccc1C=NNC(=O)C(=O)NC1CC1 1595158624 RSVMXBGFLVYPFW-UHFFFAOYSA-N 278.268 -0.699 50 20 CBGD Cc1nnc(NNC(=O)c2ccc(C(=O)O)n2C)n1C 1600798758 ZJEHVTNHZZWZSQ-UHFFFAOYSA-N 278.272 -0.083 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)N2CCOC[C@H]2C(=O)O)cn1 1600945618 IGGZOBORLCFUHA-FGUAACIASA-N 290.279 -0.361 50 20 CBGD C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)NNC(=O)C(=O)O 1604836726 ICTCWXFBGHIAGE-IMTBSYHQSA-N 279.252 -0.076 50 20 CBGD COC(=O)C(=O)NNC(=O)NC1CCC(C(=O)O)CC1 1606316594 FNAIXSZWJOLEON-UHFFFAOYSA-N 287.272 -0.867 50 20 CBGD COc1cc(OC)cc(C(=O)NNC(=O)CC(=O)O)c1 1607185382 MQQQZQBXXCCHCI-UHFFFAOYSA-N 282.252 -0.061 50 20 CBGD NC(=O)C(=O)NN=Cc1ccc(OCC(=O)O)c(Cl)c1 1776015861 MIXZZHHUWQCOPK-UHFFFAOYSA-N 299.670 -0.261 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)o1 48375733 RGZQWTHZBDCDDZ-UHFFFAOYSA-N 251.242 -0.372 50 20 CBGD CCCC(=O)N1CCC[C@@H](C(=O)NNC(=O)CN(C)C)C1 170797006 JPESVJCGEWDFPV-LLVKDONJSA-N 298.387 -0.266 50 20 CBGD CCc1cncc(C(=O)NNC(=O)CN(C)C)c1 280429610 IYIDOOZYGOABTJ-UHFFFAOYSA-N 250.302 -0.033 50 20 CBGD COCCN(C)NC(=O)c1n[nH]c(C)c1[N+](=O)[O-] 288628806 WJOLHKPWJVAHKH-UHFFFAOYSA-N 257.250 -0.151 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1C[C@]12CCOC2 364092103 BZAFXSHRINUTJY-SKDRFNHKSA-N 271.317 -0.220 50 20 CBGD C=CCNC(=O)/C(C#N)=C/c1cn(CC(=O)O)nn1 490783316 PLSWQSUEBJWHNK-XBXARRHUSA-N 261.241 -0.428 50 20 CBGD COC(=O)NCCCC(=O)NNC(=O)c1c[nH]nc1C 491341707 JBPZWRYSSSPHJY-UHFFFAOYSA-N 283.288 -0.385 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)N=c1cc[nH]cc1 495656486 YPGCGKJSQBUXLQ-ZETCQYMHSA-N 281.272 -0.599 50 20 CBGD CC(C)(C)[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C(N)=O 584941997 PDWROHTWQCCVML-JTQLQIEISA-N 296.107 -0.865 50 20 CBGD CC(=O)NCCCN(C)C(=O)c1ccc(B(O)O)c(F)c1 584949679 SUNLAYNOISNQLZ-UHFFFAOYSA-N 296.107 -0.896 50 20 CBGD O=C(N[C@@H]1C=C[C@H](CO)C1)c1cc(B(O)O)ccc1F 584963046 ORYHQFVOYGIQIM-WCBMZHEXSA-N 279.076 -0.828 50 20 CBGD C[C@H]1CC[C@@H](CO)CN1C(=O)c1cc(B(O)O)ccc1F 584966909 CKIYLFPHQRSQJK-VHSXEESVSA-N 295.119 -0.262 50 20 CBGD C[C@H](NC(=O)c1ccc(B(O)O)cc1)[C@@H]1CCCOC1 584972221 QHQQSYILSAZCGU-CMPLNLGQSA-N 277.129 -0.089 50 20 CBGD CC1=CCN(CCNC(=O)c2cccc(B(O)O)c2)CC1 584977109 WZHSNWIAHBFNJW-UHFFFAOYSA-N 288.156 -0.252 50 20 CBGD CO[C@H](CNC(=O)c1ccc(B(O)O)cc1)C1CC1 584994787 OAAYRTMJRYSAIC-GFCCVEGCSA-N 263.102 -0.479 50 20 CBGD C[C@H](CNCc1ccc(B(O)O)cc1)C[C@@H](C)O 585025263 PSFPZSOFOWYTNM-WDEREUQCSA-N 251.135 -0.137 50 20 CBGD O=C1C[C@@H](NCc2ccccc2B(O)O)CN1C1CC1 585033731 JLNMOBROJAUTBH-LLVKDONJSA-N 274.129 -0.781 50 20 CBGD CCOCCO[C@H](C)C(=O)NNC(=O)c1c[nH]nc1C 731851615 HMKSVWITUQBMBW-SECBINFHSA-N 284.316 -0.079 50 20 CBGD O=C(O)CSCC(=O)NNC(=O)CC(F)(F)F 740485238 BENCJDJYAHZMMJ-UHFFFAOYSA-N 274.220 -0.096 50 20 CBGD C[C@@H]1OCCC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1 747754369 XAYXRFDAIJVQHQ-YUMQZZPRSA-N 275.330 -0.363 50 20 CBGD CC[C@@H](C)NC(=S)NNC(=O)C(=O)NC1CC1 749762279 IZUUSOPTRURUHL-ZCFIWIBFSA-N 258.347 -0.441 50 20 CBGD Cn1cc(-c2cncc(C(=O)NNC(=O)CO)c2)cn1 753452290 OHMLWERFILVWQQ-UHFFFAOYSA-N 275.268 -0.765 50 20 CBGD Cc1ccc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)nc1 761808719 DXXSBKQSMHTYNY-VIFPVBQESA-N 284.341 -0.222 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)N[C@H](CO)C1CC1 778649731 LAHXUGKEDKSZTD-LLVKDONJSA-N 278.312 -0.275 50 20 CBGD C[C@@H]1CN(C)C(=O)CN1CC(=O)NNC(=O)C(C)(C)C 782598561 WHNDCMVIZHQUEI-SECBINFHSA-N 284.360 -0.658 50 20 CBGD CC(C)C(C)(C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 784781101 XPFWFPQIBINUSQ-QMMMGPOBSA-N 293.389 -0.246 50 20 CBGD CCN(CC(=O)NNC(=O)N1CCN(C)CC1)C1CC1 788167180 XUXLKPXWINRDPQ-UHFFFAOYSA-N 283.376 -0.541 50 20 CBGD O=C(NCC1CC1)NNC(=O)c1cc([N+](=O)[O-])n[nH]1 795588237 VDMXUKVPDJXWEZ-UHFFFAOYSA-N 268.233 -0.328 50 20 CBGD CN(NC(=O)CCNS(=O)(=O)c1cccnc1)C1CC1 819645174 AEMTWGXTWSLXRP-UHFFFAOYSA-N 298.368 -0.125 50 20 CBGD CSCCNC(=S)NNC(=O)CSCC(=O)O 820906185 NHUOWZRJVJVODN-UHFFFAOYSA-N 297.427 -0.338 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCc2cncn2C1 821218290 XHXPUSZJIKBGRN-ZJUUUORDSA-N 252.318 -0.211 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CCCc2nn[nH]c21 823799428 PTGFDFLUXLPYHI-ZCFIWIBFSA-N 252.278 -0.425 50 20 CBGD CCN(CCO)NC(=O)CNC(=O)CC(C)(C)C 823853084 ZLDLUVCVGJUFAI-UHFFFAOYSA-N 259.350 -0.116 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 823976985 LZYHPQONWZYPLV-HTQZYQBOSA-N 297.277 -0.259 50 20 CBGD COC(=O)N1CCC(C(=O)NN(C)C(N)=O)CC1 831520633 XTSUIRFHOMXKPQ-UHFFFAOYSA-N 258.278 -0.494 50 20 CBGD CCOc1ccccc1OCC(=O)NNC(=O)NCCN 841921078 MOFHNIDJFPYHQT-UHFFFAOYSA-N 296.327 -0.247 50 20 CBGD CCOC(=O)NCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843973077 IWASOKSFPZFLKZ-HTQZYQBOSA-N 273.289 -0.695 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)N1CCC[C@@H](C)C1 843973659 ZAENRLLFGWSQGH-OUAUKWLOSA-N 297.355 -0.183 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccn(CCOC)n1 854921144 YPLOICHFYGSAHP-UHFFFAOYSA-N 271.346 -0.390 50 20 CBGD C[C@@]1(CNC(=O)NNC(=O)c2cn[nH]c2)CCOC1 858217477 XAOKXKZFYPBKPJ-NSHDSACASA-N 267.289 -0.220 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2Cc3ccccc32)N1 862455968 TVDJZPFTWMOOGW-QWRGUYRKSA-N 273.292 -0.248 50 20 CBGD CC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)c1cn[nH]c1 862466426 HOVHQASXOVIIGK-SNVBAGLBSA-N 281.316 -0.279 50 20 CBGD COC(=O)[C@H]1CCCN1C(=O)c1cccc(B(O)O)c1 863868585 BFRNMZWSYNBLFS-LLVKDONJSA-N 277.085 -0.856 50 20 CBGD CCN(CC#N)C(=O)c1cc(B(O)O)ccc1F 863871318 IVOGIJCPQMADAF-UHFFFAOYSA-N 250.038 -0.509 50 20 CBGD COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](B(O)O)C2)n1 864234685 ZYGFMZAMJZLVTK-ZETCQYMHSA-N 295.060 -0.171 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H](O)c1ccccc1 869907848 GDAYGEUQTDQTGX-GFCCVEGCSA-N 282.296 -0.470 50 20 CBGD CC[C@@H]1CN(C(=O)NNC(=O)c2cccnn2)CCO1 883850438 XPFMFMJLFIIQSL-SECBINFHSA-N 279.300 -0.058 50 20 CBGD C#CCCCC(=O)NNC(=O)Cc1nonc1C 887150809 YBFXRVJLAQEOMM-UHFFFAOYSA-N 250.258 -0.129 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCc2c[nH]nc2C1 910164019 QOHPROYVBACNAH-DTWKUNHWSA-N 252.318 -0.142 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CC2(C1)CS(=O)(=O)C2 910696441 FEVCAVRRMXCFJI-WTKPLQERSA-N 270.310 -0.313 50 20 CBGD C[C@@](O)(CC(=O)NNC(=O)CN1CCCC1=O)C1CC1 913731471 JTEOAQJTKRQWAY-CYBMUJFWSA-N 283.328 -0.693 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1COC[C@H]1C 926008735 BSJBQEMFLAFXFR-BBBLOLIVSA-N 289.332 -0.597 50 20 CBGD CCOc1cc(C=NNC(=O)C(N)=O)ccc1O 1083887363 OTSLTSMLHIPKBA-UHFFFAOYSA-N 251.242 -0.274 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)NC[C@@H]1CCOC1 1115990314 ZUURMOCTBWUXGH-NSHDSACASA-N 278.312 -0.009 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cncc(F)c1 1116922472 SILKLFTYSHKTMM-UHFFFAOYSA-N 254.221 -0.283 50 20 CBGD C=CCNC(=O)CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1118187454 OTTXJTXIEZRQCM-RKDXNWHRSA-N 284.316 -0.956 50 20 CBGD C[S@](=O)CCCNC(=O)NNC(=O)Cc1ccncc1 1122091406 XYXUTFUMEYSAOO-FQEVSTJZSA-N 298.368 -0.277 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](C)c1cn(C)nc1C 1318882533 NFRBKNCUDXPKRK-ZCFIWIBFSA-N 283.288 -0.707 50 20 CBGD COc1ncc(C(=O)NNc2nccn(C)c2=O)cn1 1318919206 LQOUSYOYJCXHRI-UHFFFAOYSA-N 276.256 -0.664 50 20 CBGD N#CC1=CCN(C(=O)CN2CCCS2(=O)=O)CC1 1320434640 HZVOJQLKYVUUIG-UHFFFAOYSA-N 269.326 -0.296 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCO[C@H](C(C)C)C1 1320574889 ZRYWXYNYDNTZKH-IUCAKERBSA-N 287.316 -0.307 50 20 CBGD COCCCNC(=S)N(C)NC(=O)c1ccc[n+]([O-])c1 1321404251 YOLIKWVQUBIXGT-UHFFFAOYSA-N 298.368 -0.192 50 20 CBGD Cc1cnccc1C(=O)NNC(=O)C(=O)NC1CC1 1324646762 MSJUHXRMVCUZHB-UHFFFAOYSA-N 262.269 -0.570 50 20 CBGD CCOCC(=O)NNC(=O)NCC1CC2(C1)OCCO2 1340132501 LBCXOSGUALVFLC-UHFFFAOYSA-N 287.316 -0.494 50 20 CBGD CCn1ncc(C=NNC(=O)[C@@H]2CCC(=O)N2)n1 1351649895 CKJSMNRKLJQBLF-QMMMGPOBSA-N 250.262 -0.973 50 20 CBGD O=C(O)CCCCCNC(=O)c1ccc(B(O)O)cc1 1574868417 JODCTEHTSCFBES-UHFFFAOYSA-N 279.101 -0.259 50 20 CBGD C=C[C@H](NNC(=O)CNC(=O)c1cccs1)C(=O)O 1588700684 KLQUREMFCJHKAA-ZETCQYMHSA-N 283.309 -0.262 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cccc(CC(=O)O)c1 1590882693 MWEJREIJFLOLRT-UHFFFAOYSA-N 280.280 -0.154 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc(C(=O)O)nc1 1603052535 MWXQNLYKIWISLF-UHFFFAOYSA-N 259.243 -0.891 50 20 CBGD Cc1c(C(=O)NNC(=O)C2(C(=O)O)CC=CC2)nnn1C 1605077187 QUMAGYUXEWXTSH-UHFFFAOYSA-N 293.283 -0.694 50 20 CBGD C#CC(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1845958134 WSCIZQOKJASUHE-SECBINFHSA-N 270.716 -0.577 50 20 CBGD COC(=O)[C@@H](C)NS(=O)(=O)CBr 127388290 NUUMOEJRFUNVFH-SCSAIBSYSA-N 260.109 -0.180 50 20 CBGD C[S@@](=O)CCNS(=O)(=O)CBr 163926975 BUXYTMJBXIEEKM-JTQLQIEISA-N 264.166 -0.363 50 20 CBGD O=C(COc1cccnc1)NNC(=O)[C@@H]1CCCO1 294485594 BVGAUBRLMRQXEW-JTQLQIEISA-N 265.269 -0.213 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@H](COC)C(=O)OC 490813617 QMVVQFFYAJNFEO-JGAIRUGNSA-N 256.258 -0.265 50 20 CBGD COC(=O)NCC(=O)NNC(=O)N=c1cc[nH]cc1 495656614 YUYHEARVCBYPHG-UHFFFAOYSA-N 267.245 -0.988 50 20 CBGD CC(C)C(=O)NCCN(C)C(=O)c1ccc(B(O)O)cc1 584970065 RSZCKMXVLVWWMD-UHFFFAOYSA-N 292.144 -0.789 50 20 CBGD O=C(NC[C@H]1CCSC1)c1ccc(B(O)O)cc1 584981889 CBXSNYYSPYJBCI-SECBINFHSA-N 265.143 -0.151 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@H](CO)CC1 584995708 XXBWOVSIUCANJU-LLVKDONJSA-N 277.129 -0.399 50 20 CBGD Cc1nc(CCNCc2ccccc2B(O)O)no1 585022516 PMOUTKYVXYPOAP-UHFFFAOYSA-N 261.090 -0.610 50 20 CBGD CC(C)N1C[C@@H](NCc2ccccc2B(O)O)CC1=O 585029820 VMRGNRKADXHOGR-LBPRGKRZSA-N 276.145 -0.535 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)cc1F)c1ncn(C)n1 585037468 YYCZROVTNMQHHF-MRVPVSSYSA-N 278.096 -0.515 50 20 CBGD COc1ccc(-c2n[nH]cc2C(=O)NCB(O)O)cc1 585055659 GNYYDUFUFLKIOS-UHFFFAOYSA-N 275.073 -0.173 50 20 CBGD CN(C)C(=O)NNC(=O)CNC(=O)c1ccc(C#N)cc1 726987046 UHVGGUXBAZNEKD-UHFFFAOYSA-N 289.295 -0.410 50 20 CBGD CCOCC(=O)NNC(=O)NCc1cccc(C(N)=O)c1 731279943 AJMZEVCXLAFYER-UHFFFAOYSA-N 294.311 -0.348 50 20 CBGD C[C@H]1CN(CCNC(=O)NNC(=O)C2CCC2)CCO1 732458673 QJLDLMBRKPYFFL-JTQLQIEISA-N 284.360 -0.162 50 20 CBGD CN1CCC[C@@H]1C(=O)NNC(=O)N1CCOCC1 733869778 KDMIPDNSHPLVOX-SECBINFHSA-N 256.306 -0.846 50 20 CBGD O=C(NCC1CC1)NNS(=O)(=O)C[C@@H]1CCCO1 735647214 WVYQNPHKARLISU-VIFPVBQESA-N 277.346 -0.291 50 20 CBGD COc1ccc2cc(C(=O)NNC(=O)CO)[nH]c2c1 753437165 GFFFGKXRLFGALS-UHFFFAOYSA-N 263.253 -0.070 50 20 CBGD CC(C)C(=O)NNC(=O)c1ccc2nnc(O)n2c1 754383059 OXLBWAJPGDILQJ-UHFFFAOYSA-N 263.257 -0.148 50 20 CBGD C[C@](O)(CC(=O)NNC(=O)C(=O)N1CCCC1)C1CC1 755801776 MIELYBIQFKUHFF-ZDUSSCGKSA-N 283.328 -0.693 50 20 CBGD COCC(C)(C)C(=O)NNc1nccn(C)c1=O 756787202 HNRXWLCULGUQCX-UHFFFAOYSA-N 254.290 -0.104 50 20 CBGD CC[C@@H]1CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)CCO1 756826753 LHELVUHCSRFRCP-PSASIEDQSA-N 291.373 -0.015 50 20 CBGD COc1ccnc(NNC(=O)[C@@H](C)CC(N)=O)n1 773776186 FXHICSVNDSVQNE-LURJTMIESA-N 253.262 -0.560 50 20 CBGD C[C@H](NCC(=O)NNC(=O)C1CC1)C1CCOCC1 775457132 GAQJDYRBGYEVHI-VIFPVBQESA-N 269.345 -0.052 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cc(O)c(O)c(OC)c1 779823959 WWPTUMFMDLSRDJ-UHFFFAOYSA-N 297.267 -0.088 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CSc1nncs1 787949749 NZDIZWIUWOAZGE-UHFFFAOYSA-N 276.343 -0.452 50 20 CBGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(N)=O 792527811 TTWQKXTWXVOMSR-ZCFIWIBFSA-N 285.687 -0.260 50 20 CBGD C=CCNC(=S)NNC(=O)CN1CCCNC1=O 798304594 CJZCSJSPRAAEGH-UHFFFAOYSA-N 271.346 -0.917 50 20 CBGD CN(C)CC(=O)NNC(=O)COCc1cccnc1 806771463 QWGSEQNEGAXWNV-UHFFFAOYSA-N 266.301 -0.693 50 20 CBGD C=CCC(F)(F)C(=O)NNC(=O)C(=O)NC(C)C 814799178 YMHWVRAGZHDLJK-UHFFFAOYSA-N 263.244 -0.130 50 20 CBGD C[C@H](O)CN(C)NC(=O)CS(=O)(=O)C(C)(C)C 821217550 KVWNJPUPRUOOAN-QMMMGPOBSA-N 266.363 -0.457 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)C[C@@H]2CCC(=O)N2)cc1 824693408 GEPBYXVMMHCOFI-NSHDSACASA-N 286.291 -0.012 50 20 CBGD O=C(COC(F)(F)F)NNC(=O)CN1CCCC1=O 828344171 OILJIMODMCCKAJ-UHFFFAOYSA-N 283.206 -0.707 50 20 CBGD CCC(=O)NNS(=O)(=O)c1csnc1C(=O)O 828570391 BNDIUPLOGLTBEB-UHFFFAOYSA-N 279.299 -0.439 50 20 CBGD CCc1ccccc1OCC(=O)NNC(=O)NCCN 841920823 LGOZARAFOPNSJH-UHFFFAOYSA-N 280.328 -0.083 50 20 CBGD COc1nccnc1NNC(=O)Cc1nonc1C 846259702 AKQCDHOMRJTGJN-UHFFFAOYSA-N 264.245 -0.138 50 20 CBGD O=C(NNc1nccnc1Cl)[C@H]1CCS(=O)(=O)N1 846635458 UIGCECAOUXLWKQ-RXMQYKEDSA-N 291.720 -0.735 50 20 CBGD CCn1ncnc1C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 853391862 YPXRDXLCWZFRRW-MNOVXSKESA-N 292.343 -0.389 50 20 CBGD CCC[C@H](C(=O)NNC(=O)OC(C)(C)C)S(N)(=O)=O 854159944 BVCFEBYFBOHKDR-SSDOTTSWSA-N 295.361 -0.001 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@]1(O)CCSC1 855000901 QDGGEROCCODWFK-ZETCQYMHSA-N 272.248 -0.046 50 20 CBGD CCO[C@H](CC)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862452409 KMDSZZZLIUWHLC-HTQZYQBOSA-N 257.290 -0.773 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)/C=C/C1CCCC1 863466739 ASNLAOBSOMHVOD-VOTSOKGWSA-N 274.342 -0.075 50 20 CBGD COCCCONC(=O)c1cccc(B(O)O)c1 863881652 BOOVZYFULUXUEI-UHFFFAOYSA-N 253.063 -0.936 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccc2cccnn12 869908152 YGUGCQKZNGYDBY-UHFFFAOYSA-N 292.295 -0.242 50 20 CBGD CO[C@@]1(C(=O)NNC(=O)N2CCOCC2)CCSC1 900426978 PJRHVGRQKGHQOF-NSHDSACASA-N 289.357 -0.419 50 20 CBGD COC(=O)[C@H](CO)NC(=O)[C@@]1(C)C[C@H]1Br 905868780 VNOXTHNFBDWLBW-MYINAIGISA-N 280.118 -0.190 50 20 CBGD CC(=O)N1CCC[C@@H](C(=O)NN(C)C[C@@H](C)O)C1 910176708 BZRWRDKSIVOCBX-MWLCHTKSSA-N 257.334 -0.411 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NC[C@@H]1COCCO1 918107275 POFSAPPVIFXDMF-MRVPVSSYSA-N 259.306 -0.222 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 919960764 HRLGKKRAMBZVTD-UHFFFAOYSA-N 290.257 -0.577 50 20 CBGD COc1ccc(C(=O)NNC(=O)CNC(=O)C2CC2)cc1 1115840137 XLQUGLDLQJWIMC-UHFFFAOYSA-N 291.307 -0.018 50 20 CBGD NC(=O)c1cc(C(=O)NNC(=O)NC2CC2)c[nH]1 1115898821 RFQFCCKKGYHSSC-UHFFFAOYSA-N 251.246 -0.780 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)COC2 1116599928 KNLPGYGOVQMCES-UHFFFAOYSA-N 293.279 -0.551 50 20 CBGD C[C@H](CNC(=O)NNC(=O)N=c1cc[nH]cc1)C(=O)O 1261554868 PPCXGBDLYYVIHZ-SSDOTTSWSA-N 281.272 -0.440 50 20 CBGD COC(=O)C(=O)NNC(=S)NCCc1cccs1 1318903142 PKYZZYCODWETPP-UHFFFAOYSA-N 287.366 -0.041 50 20 CBGD Cn1ccnc(NNC(=O)[C@@H]2CCc3c[nH]nc3C2)c1=O 1318975062 XMJYKPWTTJDGIF-MRVPVSSYSA-N 288.311 -0.248 50 20 CBGD CS(=O)(=O)C1(C(=O)NNC(=O)NC2CC2)CC1 1322378510 LJGWBPIASZNNLR-UHFFFAOYSA-N 261.303 -0.944 50 20 CBGD O=C(NCCCN1C(=O)CNC1=O)NNC(=O)C1CCC1 1327810830 GMTOTODLJLEFJH-UHFFFAOYSA-N 297.315 -0.941 50 20 CBGD COCCC[C@@H](C)C(=O)NNC(=O)CS(C)(=O)=O 1329128451 QPXDZJFBUJVBDF-MRVPVSSYSA-N 280.346 -0.759 50 20 CBGD Cc1cc(=NNC(=O)CC[C@@H]2NC(=O)NC2=O)cc[nH]1 1330115312 QJABSLLIRNFVJP-VIFPVBQESA-N 277.284 -0.757 50 20 CBGD Cc1occc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331825812 FQLCOMCGHYIMLH-QMMMGPOBSA-N 251.242 -0.372 50 20 CBGD CN(C)C(=O)NNC(=O)c1cc2n(n1)CCCC2=O 1334124889 ATRNYXJJRBTSQM-UHFFFAOYSA-N 265.273 -0.224 50 20 CBGD O=C(N1CC[C@@H](B(O)O)C1)C12CCCN1CCC2 1335429330 ALBYKPWXPMEJBU-SNVBAGLBSA-N 252.123 -0.310 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccnc(O)c2)cn1 1340379543 TVHLPICHPLHVCV-UHFFFAOYSA-N 261.241 -0.405 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCN2)c(O)n1 1579663807 IZZWWLXARYXZOO-MRVPVSSYSA-N 250.258 -0.781 50 20 CBGD Cc1cccc(C(=O)NNC(=O)c2cc(N)nn2C)n1 1579750465 RXPLVUXHOPLGLI-UHFFFAOYSA-N 274.284 -0.219 50 20 CBGD N[C@H]1CCCC[C@H]1C(=O)NNC(=O)CN1CCCC1=O 1580177766 VSZUTHIFFGSCSQ-ZJUUUORDSA-N 282.344 -0.726 50 20 CBGD CN1CCO[C@H](C(=O)NNc2ncccc2C(=O)O)C1 1593787440 IWVUBDQWJNPGFU-VIFPVBQESA-N 280.284 -0.447 50 20 CBGD C[C@@H]1CC[C@H](C(=O)O)N1C(=O)c1cc(B(O)O)ccc1F 1594218122 UNXNKAXTROSKNO-RDDDGLTNSA-N 295.075 -0.417 50 20 CBGD Cc1nn(CC(=O)NNc2cccc(C(=O)O)c2)c(=O)o1 1600780113 DTACRVYSGVGZCJ-UHFFFAOYSA-N 292.251 -0.014 50 20 CBGD N#Cc1ccc(NNC(=O)Cn2cc(C(=O)O)nn2)cc1 1601107777 KATUOQTXLHQZTO-UHFFFAOYSA-N 286.251 -0.009 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCOC2(CCC2)C1 1601552590 ADJIRSAWZOEXNV-SSDOTTSWSA-N 271.273 -0.497 50 20 CBGD O=C(O)CSCCC(=O)NNC(=O)Cc1ccncc1 1608766969 WVWWCQGIVFKDSX-UHFFFAOYSA-N 297.336 -0.021 50 20 CBGD COc1cc(C=NNC(=O)CCO)ccc1-c1nn[nH]n1 1609341462 RGNCNCVHZMGXGX-UHFFFAOYSA-N 290.283 -0.292 50 20 CBGD O=C(Cc1ccccc1F)NNC(=O)C(=O)NC1CC1 8393541 SZMHGIUAHBZYAE-UHFFFAOYSA-N 279.271 -0.206 50 20 CBGD CCNC(=O)NNC(=O)CNC(=O)c1ccccc1 49183720 SHNMPNJPWCBAKI-UHFFFAOYSA-N 264.285 -0.233 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCCN(C(=O)CC)CC1 111204745 RANOTQBALULWJG-LLVKDONJSA-N 298.387 -0.123 50 20 CBGD CN(C)CC(=O)NNC(=O)COCc1ccccc1 170796415 QKIKJXCRSVLGBV-UHFFFAOYSA-N 265.313 -0.088 50 20 CBGD CN(CC(=O)NNC(=O)c1ccccc1)Cc1nnc[nH]1 177134847 ZFNXQOSMKGFWFA-UHFFFAOYSA-N 288.311 -0.302 50 20 CBGD O=C(CO)NNC(=O)CCc1cnn(-c2ccccc2)c1 180958942 KIXYNCHDJHQTGE-UHFFFAOYSA-N 288.307 -0.055 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cc(O)cc([N+](=O)[O-])c1 277975409 NVEIZOUXRYXHEH-UHFFFAOYSA-N 283.240 -0.168 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)C1(O)CCC1 280847712 ACJRPALKKREAPO-UHFFFAOYSA-N 255.196 -0.206 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H](O)c2ccccn2)O1 293982239 SZDVBNHRRVVFNQ-INTQDDNPSA-N 279.296 -0.170 50 20 CBGD O=C(COC1CCOCC1)Nc1cccc(B(O)O)c1 584913129 OYXOYBSVFJQUIH-UHFFFAOYSA-N 279.101 -0.500 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)CCN1C 584949185 CZTKOIDHRXWKAN-MFKMUULPSA-N 276.145 -0.421 50 20 CBGD CC(C)C[C@@H](O)CNC(=O)c1cc(B(O)O)ccc1F 584959527 IAYKXONYEACVMK-SNVBAGLBSA-N 283.108 -0.358 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 584997539 HKGNJJFMUFTSMN-IGQOVBAYSA-N 285.108 -0.608 50 20 CBGD CCO[C@H]1C[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 585007352 XEJSJSIEBVYHFU-MGCOHNPYSA-N 281.092 -0.197 50 20 CBGD CC(=O)N1CCC(CNCc2cccc(B(O)O)c2)CC1 585021288 IJAXJZGIQUXRCR-UHFFFAOYSA-N 290.172 -0.286 50 20 CBGD OB(O)c1ccc(CNCC2CC(O)C2)c(F)c1 585049367 OTNWQOLCJPGHPD-UHFFFAOYSA-N 253.082 -0.634 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CN2CCC1CC2 728435311 XPTPCWBQZFGRJN-QMMMGPOBSA-N 288.373 -0.878 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)Sc1nnnn1C 731904085 FUMPFPBCNVBJAV-RXMQYKEDSA-N 258.307 -0.752 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cccc(C(N)=O)c2)cn1 735470670 GXGFNKZLCHZSIL-UHFFFAOYSA-N 287.279 -0.406 50 20 CBGD O=C(O)NCCC(=O)NNC(=S)NCC1CCC1 739938424 UBNFCTUSUCYUKW-UHFFFAOYSA-N 274.346 -0.061 50 20 CBGD CCC1(C(=O)NNC(=O)NCCCOC)COC1 755238344 QXYOYBDKRKXLEX-UHFFFAOYSA-N 259.306 -0.220 50 20 CBGD C=CCOCC(=O)NNc1ccc(C(N)=O)nn1 757402228 KWAZVFKLAUYTJE-UHFFFAOYSA-N 251.246 -0.779 50 20 CBGD CC1CCN(C(=O)C(=O)NNC(=O)NCC2CC2)CC1 767721982 IRVKDGNPQLFSQM-UHFFFAOYSA-N 282.344 -0.015 50 20 CBGD O=C(CCO)NNC(=O)COc1ccccc1O 769656392 FCTHSZSSSIDDKA-UHFFFAOYSA-N 254.242 -0.699 50 20 CBGD CCOC(=O)CCN(C)CC(=O)NNC(=O)C1CC1 772716175 DNRRZLLXSUUGTG-UHFFFAOYSA-N 271.317 -0.571 50 20 CBGD C#C[C@H](N[C@@H](C)C(=O)NNC(=O)CC)[C@H]1CCCO1 775791854 XHXRWNHJWSVIQW-GARJFASQSA-N 267.329 -0.297 50 20 CBGD CSc1nc(C)c(CCC(=O)NNC(=O)CO)c(C)n1 777781810 KSCQGQLAAVIJQX-UHFFFAOYSA-N 298.368 -0.112 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1cnn(C)c1C 795869609 IBZHNZRQONLSKM-SECBINFHSA-N 296.327 -0.240 50 20 CBGD COCCc1ccnc(NC(=O)NNC(=O)CO)c1 806661085 WJFRLKHJDAKBGP-UHFFFAOYSA-N 268.273 -0.585 50 20 CBGD COC(=O)C[C@@H](C)CC(=O)NNC(=O)C(=O)NC1CC1 809549671 ZQCLMCSWUNFXRC-ZETCQYMHSA-N 285.300 -0.998 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCc2cccnc21 819876161 RCXRVJZCJIGNGK-SNVBAGLBSA-N 262.313 -0.180 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccc2c(c1)N(C)C(=O)CO2 823908232 VCGYKSREPLNEOM-VIFPVBQESA-N 293.323 -0.001 50 20 CBGD COC(=O)[C@H]1C[C@@H](NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1 827172606 VOYZHRSBEZSUCT-IMSYWVGJSA-N 299.327 -0.307 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)CC1 839732969 FRMJNBRNJSEFDZ-HBNTYKKESA-N 294.355 -0.410 50 20 CBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)N1)C1CCCC1 845191814 PBURBGBDEGPHBE-MRVPVSSYSA-N 275.330 -0.984 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C#N)CC 845598512 OOLSAWRFXODMTI-QMMMGPOBSA-N 268.317 -0.012 50 20 CBGD N#CSCCCNC(=O)[C@H]1CCS(=O)(=O)N1 854364032 XSHXIYGALMSBSK-SSDOTTSWSA-N 263.344 -0.601 50 20 CBGD CNC(=S)N(C)NC(=O)Cc1cn(C)nc1C 854927386 GLBTUZDLCJLQNG-UHFFFAOYSA-N 255.347 -0.262 50 20 CBGD Cn1cc(C(=O)CCC(=O)NNC(=O)c2cc[nH]n2)cn1 855355811 AVUHXACICHTOOT-UHFFFAOYSA-N 290.283 -0.433 50 20 CBGD CN(NC(=O)C(C)(F)F)C(=O)N1CCNCC1 857765253 DDBWIPPRUCQTSW-UHFFFAOYSA-N 250.249 -0.370 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NOC/C=C/Cl)N1 858476693 NLIXOYBHRLNHIS-VMQRWORZSA-N 276.680 -0.721 50 20 CBGD C=CC(=O)N(C)CC(=O)NNC(=O)NCC1CC1 858782443 VFZLPCJMBOSODA-UHFFFAOYSA-N 254.290 -0.629 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCC1 862457445 JPYZFWBCUMBEPG-QMMMGPOBSA-N 297.311 -0.854 50 20 CBGD CCOC(=O)/C=C/COc1ccc(B(O)O)cc1 863866731 NKKYSDIPUVPZBN-ONEGZZNKSA-N 250.059 -0.136 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 869905125 IUOBUJCESUSZRU-IVZWLZJFSA-N 284.312 -0.588 50 20 CBGD CCC[C@@H](O)CC(=O)NNC(=O)COCCOC 869908459 NWJSXEUQXDBGAA-SECBINFHSA-N 262.306 -0.652 50 20 CBGD CO[C@H](C)CS(=O)(=O)NNC(=O)C1CCOCC1 882804937 FROHFUNAKBKPKV-MRVPVSSYSA-N 280.346 -0.602 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@@H]2OCCN(C)C2=O)n1 900077378 ZRZYIZLQYDSMSP-VIFPVBQESA-N 279.300 -0.606 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cnc2n(c1=O)CCS2 910180667 YODZFRMQJCDUAH-SSDOTTSWSA-N 284.341 -0.694 50 20 CBGD CCOCC(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 912922033 ZMZOSIFECKCMLE-QWRGUYRKSA-N 287.360 -0.330 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)[C@H]1CCOC1 921208078 ITHSOVBBDZYLAU-YFKPBYRVSA-N 255.196 -0.084 50 20 CBGD COc1ccc(NC(=O)C(=O)NNC(C)=O)c(OC)c1 1116598656 PWQSNSRAMBDKMW-UHFFFAOYSA-N 281.268 -0.190 50 20 CBGD CN(C)N(C(=O)CNC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1117678708 FOXHDQXOXAIRGV-JTQLQIEISA-N 291.417 -0.133 50 20 CBGD O=C(CCc1cncnc1)NNC(=O)N1CCOCC1 1117736604 SYDDGQFOKBNOAG-UHFFFAOYSA-N 279.300 -0.518 50 20 CBGD CC(=O)NNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1248568707 OPMJACDGRJUGEI-UHFFFAOYSA-N 292.338 -0.581 50 20 CBGD COCCN(C)NC(=O)c1ccc(=O)n(CCOC)n1 1261129812 ZHFQEOUSLRCSAI-UHFFFAOYSA-N 284.316 -0.887 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ncc(OC)cn1 1261239185 HCBMRTVAJQSYDL-ZETCQYMHSA-N 296.283 -0.412 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CN3CCN2C[C@H]3C)o1 1263765701 ZXTZNQXHWAKTMZ-KOLCDFICSA-N 292.339 -0.263 50 20 CBGD COC(=O)C(=O)NNC(=S)Nc1ccc(OC)nc1 1318968229 IRNAETLGRJYFMJ-UHFFFAOYSA-N 284.297 -0.419 50 20 CBGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)Cc2cc[nH]n2)C1 1320114309 WNKOSWRVJYUJJD-VIFPVBQESA-N 293.327 -0.642 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1CCn2ccnc2C1 1325996334 NCMHQWDCZYHXKM-VIFPVBQESA-N 265.317 -0.846 50 20 CBGD CC(C)C(=O)NNC(=O)NC[C@@H]1CCCS1(=O)=O 1326657134 OYECKULEAMYTPJ-QMMMGPOBSA-N 277.346 -0.450 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCCS1(=O)=O 1329041191 ZZFQUSBGYOMYKU-QMMMGPOBSA-N 286.313 -0.944 50 20 CBGD CC(C)n1ncc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1N 1329077304 BTENXTKTMNWDOG-MRVPVSSYSA-N 294.315 -0.914 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@H]1CCCS1(=O)=O 1329087923 CVFOXILCGGHMSH-RXMQYKEDSA-N 288.247 -0.337 50 20 CBGD O=C(CCOCC(F)F)NNC(=O)[C@H]1CCC(=O)N1 1330107951 KUHHLFFQTOARKI-ZCFIWIBFSA-N 279.243 -0.916 50 20 CBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNc1ncccn1 1330111355 WUZPNGHSQZDEMZ-QMMMGPOBSA-N 267.289 -0.947 50 20 CBGD COC(=O)C(=O)NN=Cc1ccccc1-n1cncn1 1330311039 SEIXJVHFGXDLKD-UHFFFAOYSA-N 273.252 -0.110 50 20 CBGD CC(=O)N1CCCC[C@H]1C(=O)N1CC[C@H](B(O)O)C1 1331895606 MTNLLTTWVUWQPA-QWRGUYRKSA-N 268.122 -0.537 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCCSC1 1336666391 URWDADWZSYDSAX-UHFFFAOYSA-N 251.116 -0.097 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cnccc1C 1337727703 FVXLXZVLFPSOHA-UHFFFAOYSA-N 252.230 -0.284 50 20 CBGD Cn1ncc2cc(C(=O)N3CC[C@@H](B(O)O)C3)cnc21 1348490907 XCBNLTYFUNAYLM-SNVBAGLBSA-N 274.089 -0.343 50 20 CBGD O=C(O)CCCC(=O)NNC(=O)c1cccnn1 1574697630 VIKBYVLHXLOMKX-UHFFFAOYSA-N 252.230 -0.508 50 20 CBGD Cc1cc(CC(=O)NNC(=O)c2csc(CN)n2)n[nH]1 1579589067 AWLKGOVFHGEBAB-UHFFFAOYSA-N 294.340 -0.363 50 20 CBGD N[C@@H]1CCO[C@@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1580384101 ZOSRBIYKVBZAIE-KCJUWKMLSA-N 293.327 -0.834 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCCCCC(=O)O 1593804318 JUOYVGVAKVRLDZ-UHFFFAOYSA-N 275.261 -0.865 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCCC(=O)O 1594712280 FARLOIHWSLROTB-ZETCQYMHSA-N 274.273 -0.270 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@@H]1CCO[C@@H]1C(=O)O 1596864763 WHZGSIVBZHIYGA-WVXMWNJGSA-N 254.242 -0.211 50 20 CBGD Cn1c(C(=O)O)ccc1C(=O)NNC(=O)Cc1cc[nH]n1 1600903816 NEISHZOKMBFWPF-UHFFFAOYSA-N 291.267 -0.550 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O 1601354456 GWFMXSQBSUMZCC-VHSXEESVSA-N 294.311 -0.009 50 20 CBGD CC(C)(CCCO)CNC(=O)NNC(=O)C(=O)O 1609674313 LFQBUOULNKJGEE-UHFFFAOYSA-N 261.278 -0.800 50 20 CBGD C#CC(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841353684 KBGQRHZPWWRJFU-SECBINFHSA-N 270.716 -0.577 50 20 CBGD NC(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccccn2)C1 7751669 LHGANWOYCNZNBR-VIFPVBQESA-N 291.311 -0.367 50 20 CBGD CC(=O)N1CCN(S(=O)(=O)CBr)CC1 126613127 AMGOBOAEEILUHH-UHFFFAOYSA-N 285.163 -0.167 50 20 CBGD CN1CC[C@@H](NS(=O)(=O)CBr)C1 127383173 FXWXSQWVBMSOCO-ZCFIWIBFSA-N 257.153 -0.038 50 20 CBGD CC/C=C(/C)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 141141633 JKVFXXSICCMJMN-OTOXVQDCSA-N 289.357 -0.140 50 20 CBGD Cc1ncc(C(=O)NNC(=O)c2cnn(C)c2)c(C)n1 180903908 IBJNAQLTMWCRSJ-UHFFFAOYSA-N 274.284 -0.098 50 20 CBGD C[C@H]1CCNC(=O)[C@@H]1NC(=O)NNc1cccnn1 194067808 RLLMKTVHISCRCG-IONNQARKSA-N 264.289 -0.373 50 20 CBGD NNC(=O)CCOCCOCCOCCOCCS 200694932 SZCFVCZHCGXTOR-UHFFFAOYSA-N 296.389 -0.637 50 20 CBGD COC(=O)NNC(=O)[C@H](C)[C@@H](C)C(=O)NNC(=O)OC 276833762 RQCNLBSOQNYBBE-PHDIDXHHSA-N 290.276 -0.967 50 20 CBGD CCn1nc(C)c(C(=O)NNC(=O)[C@@H]2CCCO2)n1 293878701 DHEWGPBOGUBWJX-QMMMGPOBSA-N 267.289 -0.454 50 20 CBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)CC2CC2)cn1 293996643 ABRSBWJZTLGJND-UHFFFAOYSA-N 298.324 -0.710 50 20 CBGD C[C@@]1(NS(=O)(=O)CBr)CCOC1=O 306464435 IGUYAZDZARYPGX-ZCFIWIBFSA-N 272.120 -0.036 50 20 CBGD O=S(=O)(CCCCl)N1C[C@@H](O)[C@H](CO)C1 316434439 UENPOAJDLBKKSH-JGVFFNPUSA-N 257.739 -0.770 50 20 CBGD O=C(NC[C@@H]1CCN(C2CC2)C1)c1cccc(B(O)O)c1 584934001 MVQRWLZAPPNGPJ-NSHDSACASA-N 288.156 -0.420 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCCOCC1 584936467 JNMNKLCDJGQGEL-UHFFFAOYSA-N 267.065 -0.632 50 20 CBGD N#C[C@]1(NC(=O)c2cc(B(O)O)ccc2F)CCSC1 584936493 IWFBVVKBDQLGSM-GFCCVEGCSA-N 294.116 -0.365 50 20 CBGD O=C(NC[C@@H]1CCC[C@@H](O)C1)c1ccc(B(O)O)cc1 584952292 VKKNRVXDLAYGCT-ZWNOBZJWSA-N 277.129 -0.353 50 20 CBGD CC(C)N1CCC[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1 584975496 FDZNWRJFIQWMHT-CQSZACIVSA-N 290.172 -0.031 50 20 CBGD C[C@H](NCc1cccc(B(O)O)c1)[C@H](C)n1cncn1 585020520 ZRHIUQDIIVFWDY-QWRGUYRKSA-N 274.133 -0.303 50 20 CBGD C[C@]1(CNCc2ccc(B(O)O)o2)CCCC[C@@H]1O 585026958 UZTPNOKFPWNXPP-WCQYABFASA-N 267.134 -0.010 50 20 CBGD C[C@@H](CC[S@](C)=O)NCc1ccc(B(O)O)cc1F 585031629 WMBDLQRYYUCKTG-UGZDLDLSSA-N 287.165 -0.248 50 20 CBGD CO[C@H](C1CC1)[C@@H](C)NCc1ccc(B(O)O)o1 585045008 ZCTHUKINKBLSPL-PELKAZGASA-N 253.107 -0.138 50 20 CBGD NC(=O)[C@H]1CC[C@H](CNCc2ccccc2B(O)O)CC1 585048935 YKUIMJKIVQNBAR-HAQNSBGRSA-N 290.172 -0.252 50 20 CBGD O=C(NCC1CC1)NNS(=O)(=O)C[C@H]1CCCO1 735647213 WVYQNPHKARLISU-SECBINFHSA-N 277.346 -0.291 50 20 CBGD O=C(O)CSCCNC(=O)NNc1cccnn1 739863100 VNTMJIGWOOPHRT-UHFFFAOYSA-N 271.302 -0.080 50 20 CBGD N#CCSCC(=O)NNC(=O)N1CCOCC1 745986035 IYUJAWWEPNHFRJ-UHFFFAOYSA-N 258.303 -0.684 50 20 CBGD C[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)Cc1cc[nH]n1 755278796 DTAXUMFWLACWMZ-UWVGGRQHSA-N 279.344 -0.028 50 20 CBGD CC(C)(CC(N)=O)NCC(=O)NNC(=O)c1cccs1 755296828 RUIHTOSOBJADAA-UHFFFAOYSA-N 298.368 -0.247 50 20 CBGD CN(C)C(=O)c1cc(NC(=O)NNC(=O)CO)ccc1F 757613161 ZVJJYMCIEZMKME-UHFFFAOYSA-N 298.274 -0.328 50 20 CBGD CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)C(C)(C)O)C1 768244587 MJXPPHBBXPQJQR-GFCCVEGCSA-N 271.317 -0.837 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(N)cn1 776457121 BAMGLDDBTAYGBE-SSDOTTSWSA-N 280.284 -0.234 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](OCCOC)C1 781961317 DRNBOYIJBFHSOU-QWRGUYRKSA-N 287.360 -0.330 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C\COC 786598197 AZAXLRDUSLNNMF-RPSMYOMKSA-N 258.274 -0.322 50 20 CBGD CNC(=O)NC(=O)COC(=O)/C(C#N)=C\C1CC1 786674896 YJVIBJBXQSSXAS-YWEYNIOJSA-N 251.242 -0.155 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](CC)C(=O)OC 791634731 IOIOATBEXHEFMF-JGVFFNPUSA-N 288.300 -0.325 50 20 CBGD CCNC(=O)NNC(=O)[C@@H](OC)c1cnn(C)c1 798930842 BGNWHQLGROBTIE-QMMMGPOBSA-N 255.278 -0.542 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CC(C)(C)C1 806788282 RNKFEJJIISUZDY-ZETCQYMHSA-N 291.373 -0.492 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H](F)C(F)(F)F 810357123 QQYRHLVYMWRKLB-LURJTMIESA-N 268.170 0.000 50 20 CBGD COCCC(COC)=NNC(=O)NCC(=O)OC 812227832 RVMYCSXTTLQCJB-UHFFFAOYSA-N 261.278 -0.503 50 20 CBGD COCCN(C)NC(=O)[C@@H]1CCCN(C(C)=O)C1 816561390 VWUAMOYBINNQSX-LLVKDONJSA-N 257.334 -0.146 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNc1ncncc1F 817077656 JYLKIQYQSRDWSD-SECBINFHSA-N 269.280 -0.221 50 20 CBGD CN(C)CCN1C[C@@H](C(=O)NN(C)C2CC2)CC1=O 819648053 WNLDKLXCFYVWCW-JTQLQIEISA-N 268.361 -0.478 50 20 CBGD Cc1cnc2nc(C(=O)NN(C)[C@@H](C)CO)nn2c1 823908255 VFAJTNUDTNSDHG-QMMMGPOBSA-N 264.289 -0.610 50 20 CBGD Cc1ccn(C[C@@](C)(O)C(=O)NN(C)[C@H](C)CO)c(=O)c1 823928462 NMHMNTDGRCBYJS-BXUZGUMPSA-N 297.355 -0.748 50 20 CBGD COC(=O)N[C@H](C(=O)NN(C)[C@@H](C)CO)C(C)C 823959485 JNMHQKJWWAXPKO-IUCAKERBSA-N 261.322 -0.289 50 20 CBGD COc1ccc(NNC(=O)C[C@H]2CC(=O)N2)nc1 832646705 SXAPSQDNACSQFN-SSDOTTSWSA-N 250.258 -0.188 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2C(=O)O)n[nH]1 832864453 GPIFVTNGHSRTNR-PHDIDXHHSA-N 252.230 -0.800 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](C)CC(=O)O)n1 832881501 UVYJUTLBSKDYAN-ZETCQYMHSA-N 282.300 -0.242 50 20 CBGD O=C(NN[C@H](C(=O)O)c1ccc(F)cc1)[C@@H]1COCCO1 833149589 VCSHDHXWCYQXOW-QWRGUYRKSA-N 298.270 -0.012 50 20 CBGD C[C@H]1CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)C[C@@H](C)O1 834953466 HJLYWQVLZAQUGP-HRDYMLBCSA-N 291.373 -0.016 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@H](C)N1 843351880 IWLMGWOUEOYQOO-RKDXNWHRSA-N 254.334 -0.774 50 20 CBGD C[C@@]1(CNC(=O)NC(CO)CO)C[C@@H]1Br 856956825 VKHMYLKZGPYSAG-CBAPKCEASA-N 281.150 -0.188 50 20 CBGD C[C@@H]1CSC[C@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858448551 CIGRYTOTOANPEP-GJMOJQLCSA-N 286.357 -0.653 50 20 CBGD CON(C)C(=O)[C@H](C)NC(=O)NNC(=O)CC(C)C 858968005 IKMKPYXTEBDCMW-QMMMGPOBSA-N 274.321 -0.229 50 20 CBGD CS(=O)(=O)N1CCC[C@H](C(=O)NNc2ccncn2)C1 861873274 JGNCJWPYJWCNNB-VIFPVBQESA-N 299.356 -0.409 50 20 CBGD C[C@H](NNC(=O)CN1CCN(C)C(=O)C1)C(F)(F)F 862317116 DTHGHZMDOBERQL-ZETCQYMHSA-N 282.266 -0.668 50 20 CBGD C[C@H](Oc1ccccc1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862449251 NAEBPAHIDRPFMQ-GXSJLCMTSA-N 291.307 -0.120 50 20 CBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1cc(C)n(C)n1 863153244 QAOCHEOJBDPNCO-SECBINFHSA-N 263.301 -0.153 50 20 CBGD C/C(=C/C(=O)NNC(=O)CS(C)(=O)=O)C1CC1 863460425 WNAHRQABPYUHMT-ALCCZGGFSA-N 260.315 -0.465 50 20 CBGD C#CC[C@@H](CCOC)NCc1ccccc1B(O)O 863892199 PCUXNOKRYQVFQI-ZDUSSCGKSA-N 261.130 -0.116 50 20 CBGD COC(=O)[C@@H](O)CNS(=O)(=O)CC(C)(C)CCl 867027582 OJFVNXAHJXCQGK-ZETCQYMHSA-N 287.765 -0.295 50 20 CBGD CN1C(=O)C[C@@H](NS(=O)(=O)CC(C)(C)CCl)C1=O 867239949 YZHWQCHSAHTQKK-SSDOTTSWSA-N 296.776 -0.072 50 20 CBGD CC(C)OCCNC(=O)c1ccc(B(O)O)cc1 867389866 BQGWZOASHZDGGU-UHFFFAOYSA-N 251.091 -0.479 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CN(C)CCO2)cc1O 882049290 PBZSUPGLHJMXPS-LBPRGKRZSA-N 293.323 -0.208 50 20 CBGD CC(C)[C@@H](C(=O)NN(C)C[C@H](C)O)N1CCCC1=O 910170102 XZASKSYDPFZTMJ-JQWIXIFHSA-N 271.361 -0.023 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1ccnc(F)c1F 913732204 MEILGKYXOQMXNL-UHFFFAOYSA-N 298.249 -0.257 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1 914851562 IIIYGDCEOUIFFM-UHFFFAOYSA-N 274.258 -0.283 50 20 CBGD C[C@H](O)c1cn(CC(=O)NN[C@@H](C)C(F)(F)F)nn1 1118944818 UCCSERMXRXSRBX-WDSKDSINSA-N 281.238 -0.097 50 20 CBGD CC(C)NC(=S)NNC(=O)c1cc(=O)cc[nH]1 1119666118 DRAWKYKWJPBIGX-UHFFFAOYSA-N 254.315 -0.108 50 20 CBGD CNC(=O)NNC(=O)CC1(CS(C)(=O)=O)CC1 1319013601 STRQSNKIYPSLHP-UHFFFAOYSA-N 263.319 -0.839 50 20 CBGD C[S@@](=O)c1cccc(NC(=O)NNC(=O)CCO)c1 1320400585 IVFACQKGXKMUID-LJQANCHMSA-N 285.325 -0.041 50 20 CBGD COCCCNC(=O)NNC(=O)c1cncn1C 1324036558 HNAOANOIPXRMDF-UHFFFAOYSA-N 255.278 -0.599 50 20 CBGD CN(C)CCn1ccc(C(=O)NNc2ncccn2)n1 1327081387 UAAOENAIZKCOOX-UHFFFAOYSA-N 275.316 -0.008 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCC2CCOCC2)N1 1331521032 OQGFXVMYHDHFCL-VIFPVBQESA-N 284.316 -0.978 50 20 CBGD CCCNC(=O)[C@@H](C)NC(=O)c1cccc(B(O)O)c1 1336718745 NBSUSIFWCIIBMX-SECBINFHSA-N 278.117 -0.989 50 20 CBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNc1cccnn1 1346734686 FDKADGIOMKJGOJ-NXEZZACHSA-N 262.317 -0.692 50 20 CBGD COCc1cncc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 1351716418 NCWCEARARCPVDD-JTQLQIEISA-N 292.295 -0.732 50 20 CBGD C[C@@H](CC(=O)NNC(=O)[C@@H]1CCN1)n1cccn1 1575927568 ZZMUHSJXZNGKPM-IUCAKERBSA-N 251.290 -0.657 50 20 CBGD C[C@H](N)[C@H](C)C(=O)NNC(=O)[C@H]1CCN1C1CCOCC1 1576087560 DAEAXYMBZXEFDL-JBLDHEPKSA-N 298.387 -0.630 50 20 CBGD C[C@]1(C(=O)NNC(=O)NCC2CC2)C[C@H](N)CCO1 1576349686 GPPWJZUOERNOJZ-BXKDBHETSA-N 270.333 -0.377 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2[C@H]3CCNC[C@H]32)n[nH]1 1579565768 XFFKKYUUXSVLBX-XKSSXDPKSA-N 263.301 -0.665 50 20 CBGD COCCCNC(=O)NNC(=O)CCCCC(=O)O 1593994402 BVUJWLXKUZRHHZ-UHFFFAOYSA-N 275.305 -0.002 50 20 CBGD Cn1nc(C(=O)NNc2ncccc2C(=O)O)cc1O 1594562639 DVTSWCVITQYZOA-UHFFFAOYSA-N 277.240 -0.024 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)N[C@H]1C[C@@H](C(=O)O)C1 1594783004 RFDFVYZDAHKTKD-MQIGXGKASA-N 297.311 -0.253 50 20 CBGD COC(=O)N(C)NS(=O)(=O)c1scnc1C(=O)O 1598875622 IOXQBKBSIUDEOU-UHFFFAOYSA-N 295.298 -0.267 50 20 CBGD O=C(NCc1ncccc1F)NNC(=O)C(=O)O 1601551792 FRPGKEHPFBWEGH-UHFFFAOYSA-N 256.193 -0.864 50 20 CBGD O=C(O)C[C@H](NC(=O)c1cc(B(O)O)ccc1F)C1CC1 1601903886 JBZQIOMQGUSEAM-NSHDSACASA-N 295.075 -0.511 50 20 CBGD CC(=O)NNC(=O)[C@H](C)Oc1ccccc1-c1nn[nH]n1 1602949103 ZKGCBBLEXFKFAH-ZETCQYMHSA-N 290.283 -0.199 50 20 CBGD CCN(CCO)NC(=O)c1cc(-c2nn[nH]n2)[nH]c1C 1604318793 GYJFTZLUUUOJBN-UHFFFAOYSA-N 279.304 -0.538 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 1608478068 SFSWKQUALJEYDQ-QQGCVABSSA-N 253.258 -0.554 50 20 CBGD O=C(COc1ccccc1F)NNC(=O)C(=O)NC1CC1 8392677 IUWOVFSLOZZRMU-UHFFFAOYSA-N 295.270 -0.370 50 20 CBGD CCN1CCCC[C@H]1C(=O)NNC(=O)CN(C)C 113424814 LRTKHKKZLIZSSX-JTQLQIEISA-N 256.350 -0.430 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCO1)c1n[nH]c2c1CCC2 130338325 IWGOECLTRRLSIW-VIFPVBQESA-N 264.285 -0.162 50 20 CBGD Cc1ccnc2nc(C(=O)NNC(=O)NCC3CC3)nn12 139352522 AUVIFTCWRCJMMO-UHFFFAOYSA-N 289.299 -0.213 50 20 CBGD C[C@H](NC(=O)NNc1nc2ccccn2n1)C(=O)N(C)C 191111946 OJGHZLQDLXPOGK-QMMMGPOBSA-N 291.315 -0.168 50 20 CBGD O=C(CNC[C@@H]1CCCO1)NNc1ncccn1 237906017 NTMUFZMEWYMLMO-VIFPVBQESA-N 251.290 -0.312 50 20 CBGD COCCCNC(=O)NNC(=O)CN1CCCCC1=O 264265683 QKXVWDZUALVZAK-UHFFFAOYSA-N 286.332 -0.634 50 20 CBGD CC(C)CC(=O)NNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 268453044 MSAUNWHJFNQMFR-RKDXNWHRSA-N 286.332 -0.604 50 20 CBGD CC#CCCCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 274400735 SJXMZGNGAFEOBE-VIFPVBQESA-N 289.357 -0.735 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1n[nH]c2c1CCC2 276228228 JIIAINOWLSYGJB-UHFFFAOYSA-N 252.274 -0.570 50 20 CBGD CO[C@H]1COC[C@@H]1NCC(=O)NNC(=O)c1ccccc1 290056983 DWZNGXARQUSDQW-RYUDHWBXSA-N 293.323 -0.549 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cnsn2)O1 293915922 MTNLJUCWJXRMID-FSPLSTOPSA-N 256.287 -0.133 50 20 CBGD CN(C)CC(=O)NNC(=O)C[C@H]1COc2ccccc2O1 295281664 PKTPRRNKOCFOGH-JTQLQIEISA-N 293.323 -0.075 50 20 CBGD CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc(B(O)O)cc1 584948295 BEWIRKOQEAURBO-XQQFMLRXSA-N 289.140 -0.090 50 20 CBGD CC(C)C[C@@H](O)CNC(=O)c1ccc(B(O)O)cc1 584960229 OJAITUXGRTYERD-GFCCVEGCSA-N 265.118 -0.497 50 20 CBGD CC(C)(C)[C@H](CCO)NC(=O)c1ccc(B(O)O)cc1 584970056 LEWBNOHKUKIEBZ-LBPRGKRZSA-N 279.145 -0.107 50 20 CBGD CN1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C(C)(C)C1 584970090 SKFLMYICOBSYJT-UHFFFAOYSA-N 294.135 -0.328 50 20 CBGD C[C@]1(CO)CCCN1C(=O)c1cc(B(O)O)ccc1F 584973358 AZTRJSUEVPQVHD-CYBMUJFWSA-N 281.092 -0.508 50 20 CBGD C=CCCN1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584984938 DXQKCDFFFNMMQO-UHFFFAOYSA-N 288.156 -0.300 50 20 CBGD Cc1nnc(NC(=O)c2ccc(B(O)O)cc2)n1C1CC1 584994331 NNBUISGZIDITQP-UHFFFAOYSA-N 286.100 -0.146 50 20 CBGD CC[C@@H](NC(=O)c1cc(B(O)O)ccc1F)[C@@H](C)O 584997771 JYXGOEVEQMVKIY-RDDDGLTNSA-N 269.081 -0.605 50 20 CBGD O=C(NC[C@H]1CCN1C1CC1)c1ccc(B(O)O)cc1 585005373 GPRCNXITWIGGTM-CYBMUJFWSA-N 274.129 -0.667 50 20 CBGD OB(O)c1ccc(CNCCCn2ccnc2)c(F)c1 585014499 UAELFDGKUVCHCU-UHFFFAOYSA-N 277.108 -0.118 50 20 CBGD COCC[C@](C)(O)CNCc1ccc(B(O)O)cc1F 585022866 BRRGFQHJARUIOC-ZDUSSCGKSA-N 285.124 -0.617 50 20 CBGD CS[C@H](CO)[C@@H](C)NCc1cccc(B(O)O)c1 585029446 RKMFSWRAIUJWSH-BXKDBHETSA-N 269.175 -0.432 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCc3c[nH]nc3C2)c(F)c1 585029702 BIVGOKRIBUJKDG-LBPRGKRZSA-N 289.119 -0.124 50 20 CBGD C[C@H](CNCc1cccc(B(O)O)c1)[S@@](C)=O 585035336 SJFJGMIOIBUULL-VVVCHXIZSA-N 255.148 -0.777 50 20 CBGD Cc1nc([C@H](C)NCc2ccc(B(O)O)cc2)no1 585041101 TZJJTIJRSBJHEP-QMMMGPOBSA-N 261.090 -0.091 50 20 CBGD CO[C@](C)(CNCc1ccc(B(O)O)o1)C1CC1 585043919 WSOIOQRDEYULQK-GFCCVEGCSA-N 253.107 -0.136 50 20 CBGD Cn1c(O)nc2cc(C(=O)N3CC[C@H](B(O)O)C3)ccc21 585074461 AFDMPVBXCMHVDE-VIFPVBQESA-N 289.100 -0.032 50 20 CBGD C[C@H]1C[C@H](N)CN1CC(=O)NNC(=O)c1cccs1 702652917 GKOBSCWYNCSHBR-IUCAKERBSA-N 282.369 -0.069 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)Cc1cccnc1 728891618 BIGRLKICCHPRLK-SECBINFHSA-N 278.312 -0.314 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)n1cccn1 732082364 CDYSQYUPPKLYQV-QMMMGPOBSA-N 262.273 -0.063 50 20 CBGD Cc1ccc(C(=O)NNC(=O)NCC[S@@](C)=O)o1 752379601 ITXBDOOBYZOAAB-GOSISDBHSA-N 273.314 -0.089 50 20 CBGD COC(=O)COc1ccc(NC(=O)NNC(=O)CO)cc1 755793003 ATGXCYANQZJDDS-UHFFFAOYSA-N 297.267 -0.617 50 20 CBGD NC(=O)c1cc(NC(=O)NNC(=O)CO)ccc1F 755800319 LIEBTJILWWFYJE-UHFFFAOYSA-N 270.220 -0.930 50 20 CBGD CCc1cc(NC(=O)NNC(=O)COC)n(C)n1 756591235 FRVZLFZQAKPHAS-UHFFFAOYSA-N 255.278 -0.218 50 20 CBGD COc1cc(C#N)ccc1S(=O)(=O)NNC(C)=O 775247858 DFPAGNQKVHBMHT-UHFFFAOYSA-N 269.282 -0.104 50 20 CBGD CCn1cc(CC(=O)NNC(=O)NCCCOC)cn1 780472210 QIOIKTHURMATQE-UHFFFAOYSA-N 283.332 -0.188 50 20 CBGD C[C@@]1(C(=O)NNC(=O)C(=O)NC2CC2)CCCOC1 781250456 XKQQJEFFOKOKJB-GFCCVEGCSA-N 269.301 -0.771 50 20 CBGD C[C@]1(C(=O)NNC(=O)C(=O)N2CCCC2)CCCOC1 781327518 LNOGECFMPIJPTH-ZDUSSCGKSA-N 283.328 -0.427 50 20 CBGD Nc1ncc([N+](=O)[O-])cc1C(=O)NNC(=O)C1CC1 782163258 ZWUVLJMKJZHRBF-UHFFFAOYSA-N 265.229 -0.257 50 20 CBGD CC(=O)NNC(=O)[C@@](C)(O)Cn1c(C)cccc1=O 792010589 CDVCEKQGAGZHGE-LBPRGKRZSA-N 267.285 -0.925 50 20 CBGD CCNC(=O)NNC(=O)CCC(=O)c1cnn(C)c1 793208188 UEAYBIJCGRVKAM-UHFFFAOYSA-N 267.289 -0.267 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)CCOCCO 800507217 LASWOXAOULVMIO-NSHDSACASA-N 289.376 -0.491 50 20 CBGD Cc1nc2ccc(NC(=O)NNC(=O)CO)cn2n1 809896566 BDGBIGKXFVNDEJ-UHFFFAOYSA-N 264.245 -0.817 50 20 CBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNc1cccc(F)n1 813608766 GEPZMFOEIGPXFN-QMMMGPOBSA-N 284.291 -0.203 50 20 CBGD C[C@]1(C(=O)NNC(=O)OCC(F)(F)F)CCNC1=O 824619172 DNSLFZZDHVCKGN-QMMMGPOBSA-N 283.206 -0.168 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@]2(CCNC2)C1 843367754 JZIZCSRUMFKJID-GWCFXTLKSA-N 268.361 -0.382 50 20 CBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNc1cc(Cl)nc(N)n1 847707618 YMIVPOZKYTYXTQ-CRCLSJGQSA-N 284.707 -0.333 50 20 CBGD CCCN1CC[C@@H](NC(=O)NNC(=O)c2ncccn2)C1 852385384 OMOZXEKEXKGWCR-SNVBAGLBSA-N 292.343 -0.095 50 20 CBGD C=CCNC(=S)NNC(=O)C[C@@H]1CCC(=O)N1 854185866 NAIWFAFTFAXHKW-ZETCQYMHSA-N 256.331 -0.664 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@H]1CC[C@@H]1C(N)=O)C1CC1 855097871 ZCMWGLOXTRHHQZ-XVYDVKMFSA-N 284.385 -0.208 50 20 CBGD CN1C[C@H](NC(=O)NNc2ncc(Cl)cn2)CC1=O 856877128 XWJORCOQNBBPGS-SSDOTTSWSA-N 284.707 -0.013 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2C[C@H]2C2CCC2)N1 858554236 IPDSSDLYHUPPQW-IVZWLZJFSA-N 280.328 -0.216 50 20 CBGD C=CC(=O)N(C)CC(=O)NNC(=O)C(=O)NC(CC)CC 859540763 YVYBDNIXVKBNHE-UHFFFAOYSA-N 298.343 -0.917 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H](NC=O)C(C)C)n[nH]1 860480676 VJHPTUXLQAOAKR-VIFPVBQESA-N 267.289 -0.750 50 20 CBGD C[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CCN1C 866097193 ITCXFGCCGZMFSL-SECBINFHSA-N 280.108 -0.718 50 20 CBGD COCCOCC(=O)NNC(=O)c1cc(C2CC2)n(C)n1 869909913 MBEACUAXEOUFSZ-UHFFFAOYSA-N 296.327 -0.279 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H](C)SC 869910941 PSDVOQOGNNARLI-SSDOTTSWSA-N 250.320 -0.452 50 20 CBGD O=C1CSC[C@@H](C(=O)NN=c2cc[nH]cc2Cl)N1 935415025 OTBMIXBUFQIWIU-QMMMGPOBSA-N 286.744 -0.168 50 20 CBGD O=C(Cn1cnc([N+](=O)[O-])c1)NNC(=O)C1CC1 1116139488 KJKQJFJHCVDJML-UHFFFAOYSA-N 253.218 -0.651 50 20 CBGD O=C(c1ccc(-n2ccnc2)nc1)N1CC[C@H](B(O)O)C1 1118916671 RGPWDNPBGWQRJJ-NSHDSACASA-N 286.100 -0.044 50 20 CBGD CCc1noc(C)c1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1261830472 YACKFWOGQGNVSN-QMMMGPOBSA-N 280.284 -0.415 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C1CCC1)c1nnnn1C 1263759987 RWJWUQHJHRNOGO-ZCFIWIBFSA-N 267.293 -0.598 50 20 CBGD COC(=O)NCC(=O)NNC(=O)Cc1cccnc1 1318493690 DIEXKLVIEAKVOX-UHFFFAOYSA-N 266.257 -0.873 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C)n1ccnc1 1318784502 PEYGLOOVROOWMS-VIFPVBQESA-N 295.343 -0.104 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CC[C@H]2NC(=O)NC2=O)o1 1319065960 DYOBIXRTOJILQK-SSDOTTSWSA-N 294.267 -0.663 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cncc(F)c1 1321166626 HXGYDCPRYGCXSK-UHFFFAOYSA-N 256.193 -0.454 50 20 CBGD CN(C)N(C(=O)c1cccnc1O)[C@@H]1CCS(=O)(=O)C1 1324127318 DHQVSGHXJPLKFW-SECBINFHSA-N 299.352 -0.107 50 20 CBGD Cc1nsc(C)c1C(=O)NNC(=O)C(=O)NC1CC1 1327941724 XTERGGFCKJYJFL-UHFFFAOYSA-N 282.325 -0.200 50 20 CBGD C[C@H](CC(=O)NNC(=O)CS(C)(=O)=O)n1ccnc1 1329208609 SISYULAWTVSHAS-MRVPVSSYSA-N 288.329 -0.974 50 20 CBGD NS(=O)(=O)c1ccc(C=NNC(=O)CCO)cc1 1330028535 FWRJCPWXZMNOHC-UHFFFAOYSA-N 271.298 -0.834 50 20 CBGD O=C(NNC(=S)NCC1CCC1)c1nnc(O)nc1O 1334457500 CVJXUJDNYQNHME-UHFFFAOYSA-N 298.328 -0.808 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCO[C@H](C2CC2)C1 1342638361 POVXNMAAKOXKNQ-IUCAKERBSA-N 285.300 -0.553 50 20 CBGD COC1CCC(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 1348385836 APLPHCQZMHTGEB-UDNWOFFPSA-N 283.328 -0.382 50 20 CBGD CC(C)[C@@H]1C[C@@H](C(=O)NNC(=O)C(=O)NC2CC2)CCO1 1351934917 MQBIISRXGCMWFY-ONGXEEELSA-N 297.355 -0.136 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1[C@@H](C)C1(F)F 1527401358 UQMXPPKCXSYUKQ-RITPCOANSA-N 263.244 -0.440 50 20 CBGD O=C(NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)[C@@H]1CCCNC1 1580732804 JWXHYDPOLFSSBX-DEKFOEGESA-N 265.313 -0.642 50 20 CBGD CC(C)C(=O)NNC(=O)CN[C@@H](C(=O)O)C(C)C 1588799487 LHKQKHKGDCQSFD-SECBINFHSA-N 259.306 -0.511 50 20 CBGD CS(=O)(=O)CC(=O)NN=Cc1ccc(C(=O)O)cc1 1594163814 LDLXRNLMLBZRJE-UHFFFAOYSA-N 284.293 -0.121 50 20 CBGD CC[C@H](C(=O)O)C(=O)NNC(=O)c1nc[nH]c2ncnc1-2 1604878239 LLNLDDYMNSHTIZ-YFKPBYRVSA-N 292.255 -0.824 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@H]1CC(=O)O 1607437120 LYMQOXMFGZBCHV-PSASIEDQSA-N 283.328 -0.414 50 20 CBGD NC(=O)c1csc(C=NNC(=O)NCC(=O)O)c1 1608245481 POTDIADHKQCZME-UHFFFAOYSA-N 270.270 -0.435 50 20 CBGD O=C(NCCc1ccccc1)NNC(=O)C(=O)O 1608451662 FINSYTJIYCUAKX-UHFFFAOYSA-N 251.242 -0.356 50 20 CBGD CC[C@H](C(=O)NNc1ncnc2nc[nH]c12)C(=O)OC 282837048 KJIPHVYCPVVNED-ZCFIWIBFSA-N 278.272 -0.005 50 20 CBGD CC(C)[C@@H](O)C(=O)NNC(=O)CNC(=O)c1ccco1 285734381 UQYQGYABSJEIDR-SNVBAGLBSA-N 283.284 -0.826 50 20 CBGD C=CCNC(=S)NNC(=O)C[C@@H]1CCCC(=O)N1 291510553 XDPIOCOXHGFPGY-QMMMGPOBSA-N 270.358 -0.274 50 20 CBGD C#CCO[C@@H](C)C(=O)NNc1nccc(OC)n1 294453141 RRPCQCJFXBTTPX-QMMMGPOBSA-N 250.258 -0.033 50 20 CBGD CC(C)(O)CC(=O)NNC(=O)CNC(=O)OC(C)(C)C 492609135 OHIJHJTXMIAKLP-UHFFFAOYSA-N 289.332 -0.181 50 20 CBGD COC(=O)N(C)NC(=O)Cn1nnc2c1CCCC2 496238684 MIVLFZNFFQAMEL-UHFFFAOYSA-N 267.289 -0.114 50 20 CBGD CN(C[C@H](O)C(F)(F)F)C(=O)c1ccc(B(O)O)cc1 584971195 ZUXKAYAYHQLDLS-VIFPVBQESA-N 291.034 -0.638 50 20 CBGD COCC(C)(C)N(C)C(=O)c1cccc(B(O)O)c1 584991993 HYXOSVSAWXEKFZ-UHFFFAOYSA-N 265.118 -0.137 50 20 CBGD OB(O)c1ccc(CNC[C@@H]2COCCO2)c(F)c1 585017060 JXFBFAQTPKVEIL-LLVKDONJSA-N 269.081 -0.990 50 20 CBGD CN(C)[C@@]1(CNCc2cccc(B(O)O)c2)CCSC1 585025909 GMDDSIRFVOKEDC-CQSZACIVSA-N 294.229 -0.107 50 20 CBGD CC[C@@H](C[C@H](C)CO)NCc1ccc(B(O)O)o1 585027687 XVRFODNEEWIFTE-UWVGGRQHSA-N 255.123 -0.154 50 20 CBGD CC[C@H](C)C[C@@H](CO)NCc1ccc(B(O)O)o1 585048471 QCFXVPWKYDMXRZ-UWVGGRQHSA-N 255.123 -0.154 50 20 CBGD CN1CC[C@H](CNCc2ccc(B(O)O)cc2)CC1=O 585048539 RZWODPCSMAJBSL-LBPRGKRZSA-N 276.145 -0.676 50 20 CBGD CC(C)Oc1ccc(S(=O)(=O)NCB(O)O)cn1 585057430 UKTLHKLFZBXHDZ-UHFFFAOYSA-N 274.107 -0.841 50 20 CBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@@H](B(O)O)C1 585058743 OQALIGUTXQATPP-MRVPVSSYSA-N 273.123 -0.736 50 20 CBGD O=S(=O)(C[C@@H]1CCCCC1(F)F)NCB(O)O 585059616 UXNDAVPMZXMKOC-ZETCQYMHSA-N 271.094 -0.257 50 20 CBGD CN1CCN(CC(=O)NNC(=O)C2CCCC2)CC1 732271794 SKGAMWDJDBCNMZ-UHFFFAOYSA-N 268.361 -0.429 50 20 CBGD CCOCC(=O)NNC(=O)NC1CCC(C(=O)O)CC1 737162458 PKQAANJAMMNHPS-UHFFFAOYSA-N 287.316 -0.003 50 20 CBGD Cc1cncc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 742491553 YGCVHGDVQCHHCV-VIFPVBQESA-N 297.336 -0.414 50 20 CBGD O=C(CO)NNC(=O)c1cnc([C@@H]2CCCO2)s1 753443161 TYFMJKDUNWCADH-LURJTMIESA-N 271.298 -0.252 50 20 CBGD C[C@@]1(C(=O)NNC(=O)CNC(=O)c2ccco2)CCOC1 754212347 MGEZOGUMLGYDPW-CYBMUJFWSA-N 295.295 -0.417 50 20 CBGD O=C(CNC(=O)c1cccnc1)NN=Cc1cnc[nH]1 755774049 PCYGCYREMHUKHW-UHFFFAOYSA-N 272.268 -0.315 50 20 CBGD COc1ncncc1NC(=O)NNC(=O)Cc1cc[nH]n1 757690342 KXPPPTYQXUEGRM-UHFFFAOYSA-N 291.271 -0.396 50 20 CBGD CCCN(C)CC(=O)NNC(=O)C(=O)Nc1ccccn1 758831618 RPLMYMRLWWKWAD-UHFFFAOYSA-N 293.327 -0.491 50 20 CBGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)NCC1CC1 759749019 MCOXQGSCHRGJHE-UHFFFAOYSA-N 294.311 -0.397 50 20 CBGD Cc1occc1C(=O)NCC(=O)NNC(=O)C(C)(C)O 768259306 KRTLRVGKWUNINL-UHFFFAOYSA-N 283.284 -0.764 50 20 CBGD CC(C)(C)[C@@H](CO)NCC(=O)NNC(=O)C1CC1 769806069 FJBQVAPKTIDTLO-SECBINFHSA-N 257.334 -0.460 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cnc(C)cn1 771892602 WHTVHEPIMPURIA-QMMMGPOBSA-N 280.284 -0.112 50 20 CBGD C[C@@H]1CCN(S(=O)(=O)NNC(=O)N(C)C)C1 777930656 MWDSJODEGZKISC-SSDOTTSWSA-N 250.324 -0.651 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccc(C#N)o2)cn1 794340705 RRHDIAMUMVOJMX-UHFFFAOYSA-N 259.225 -0.040 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@H]1CCCc2nn[nH]c21 823804593 RHQZYULPZHDBBD-QMMMGPOBSA-N 278.316 -0.035 50 20 CBGD C[C@H](CO)N(C)NC(=O)CNC(=O)NC1CCCCC1 823969980 AOGSFHZFSDQGMC-SNVBAGLBSA-N 286.376 -0.038 50 20 CBGD O=C(CCc1ccon1)NNC(=O)N1CCOCC1 824621647 UTTKSLHJBYPCNY-UHFFFAOYSA-N 268.273 -0.320 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H](CO)C1CC1 827282044 JYYXMOGSYPMZIN-SFGNSQDASA-N 271.317 -0.487 50 20 CBGD Cc1cc(C(=O)NNC(=O)Cc2nnc(C)s2)n[nH]1 831424867 RBPFHUKHSYMOCT-UHFFFAOYSA-N 280.313 -0.118 50 20 CBGD CCCN1C[C@H](C(=O)NNC(=O)N2CCOCC2)CC1=O 840298205 IGEXWEDCYQURHI-SNVBAGLBSA-N 298.343 -0.682 50 20 CBGD CNCCNC(=O)NNc1nc(C)cc(OC)n1 841936003 JVXBURWFODRXHC-UHFFFAOYSA-N 254.294 -0.361 50 20 CBGD CCNC(=O)CCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843976861 ZMGUCDSQAVCGMT-IUCAKERBSA-N 271.317 -0.525 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(O)CCSCC1 843980861 XNIYEGKFWMIFRI-RKDXNWHRSA-N 288.369 -0.183 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)o1 847554905 MDXMIXUQKGXRGR-JGVFFNPUSA-N 265.269 -0.139 50 20 CBGD Cc1nn(CC(=O)NNc2ncccc2F)c(=O)n1C 848062308 VKSAUIUQIBQQEJ-UHFFFAOYSA-N 280.263 -0.432 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H](C)N(C)C 854386076 IPZKSXSWIVDMDN-VIFPVBQESA-N 275.349 -0.127 50 20 CBGD CN(C)CC(=O)NNC(=O)c1c[nH]c2cccnc12 857105455 LLHBYHIXTVJTKO-UHFFFAOYSA-N 261.285 -0.115 50 20 CBGD COc1ccnc(NNC(=O)c2cc(O)n(C)n2)n1 857436859 KQLPMZABEOXZHT-UHFFFAOYSA-N 264.245 -0.319 50 20 CBGD CC1(C)CC[C@@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858456292 FKVZDDIJXSOZHQ-YUMQZZPRSA-N 268.317 -0.216 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2CCCSC2)N1 858696564 LTQBMCNQJKNPDT-JGVFFNPUSA-N 286.357 -0.509 50 20 CBGD COCCCNC(=O)NNC(=O)Cn1nccc1C 858782847 BCGYSHCIMOHYKN-UHFFFAOYSA-N 269.305 -0.442 50 20 CBGD CC(C)[C@H](NC=O)C(=O)NNc1ncc(F)cn1 860463495 UOPQTTYSIJYHOU-QMMMGPOBSA-N 255.253 -0.171 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)NC[C@@H]1COCCN1 861681567 QPWXRWWTFXTUHH-LLVKDONJSA-N 292.339 -0.073 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CSCCS2)N1 862456671 QYXCSHRHEUUNJM-RQJHMYQMSA-N 289.382 -0.739 50 20 CBGD Cc1nn(C)cc1CC(=O)NNC(=O)c1cn[nH]c1 862469566 OSSIBXAOOYJLEE-UHFFFAOYSA-N 262.273 -0.545 50 20 CBGD Cc1cccc(NNC(=O)c2nc(N)nc(N(C)C)n2)n1 862519686 OGVIHMXNHAWTJO-UHFFFAOYSA-N 288.315 -0.020 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CC(NS(C)(=O)=O)C1 862841641 WVAMZCDSGDKQDK-FPLPWBNLSA-N 273.314 -0.810 50 20 CBGD CCOC(=O)[C@H](C)N(C)C(=O)c1ccc(B(O)O)cc1 863886415 YSAYGHWDTMCVPB-VIFPVBQESA-N 279.101 -0.610 50 20 CBGD CNC(=O)[C@@H]1CN(S(=O)(=O)CCCCl)CCO1 882055281 JNUXVDBZOICWBG-QMMMGPOBSA-N 284.765 -0.608 50 20 CBGD C[C@H]1CCN(S(=O)(=O)NNC(=O)C2CCOCC2)C1 882805082 MFUMMOYMASBHBS-VIFPVBQESA-N 291.373 -0.380 50 20 CBGD COC(=O)CC(=O)NNC(=O)Cc1cccnc1 906570139 SWJPRYOXMXKUDC-UHFFFAOYSA-N 251.242 -0.665 50 20 CBGD COCCn1cc(C(=O)NN(C)C[C@H](C)O)c(C)n1 910152894 WKVDYWZIXDNVNR-VIFPVBQESA-N 270.333 -0.205 50 20 CBGD CCCCNC(=O)NNC(=O)c1c[nH]c(C(N)=O)c1 920822487 SCGSCSZQYBFSQY-UHFFFAOYSA-N 267.289 -0.142 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H](C)S(C)(=O)=O 1115852359 KLJOQUUHJQERHZ-LURJTMIESA-N 267.376 -0.677 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CCCCO1 1116187022 KPHYITMFTMDKAF-ZETCQYMHSA-N 259.262 -0.941 50 20 CBGD NC(=O)C(=O)NN=Cc1c(-n2ccnc2)nc2ccccn12 1116378609 SMLYERNFEVPVCK-UHFFFAOYSA-N 297.278 -0.545 50 20 CBGD O=C(C[C@H]1CCC(=O)N1)NNC(=O)NCC(F)(F)F 1118700607 PPFBDHQFLXLPBR-RXMQYKEDSA-N 282.222 -0.452 50 20 CBGD O=C(NN=C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1321467565 NSHONQLDXQWYLK-DTWKUNHWSA-N 260.315 -0.440 50 20 CBGD Nc1cnnc(NNC(=O)C(=O)NC2CC2)c1Cl 1324009510 RTMOLQPQPKHEJE-UHFFFAOYSA-N 270.680 -0.566 50 20 CBGD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NN=c1cc[nH]cc1 1325091179 IEULSWJSOYVULX-UHFFFAOYSA-N 289.251 -0.283 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)NC1CC=CC1 1326477663 IPGCEYHSJBLQSL-UHFFFAOYSA-N 252.274 -0.686 50 20 CBGD C[C@H](CC(=O)NNc1ccc(C(N)=O)nn1)n1ccnc1 1326621246 QWVXYFFXXWRYPA-MRVPVSSYSA-N 289.299 -0.134 50 20 CBGD CC(C)C(=O)NNC(=O)NCc1nc(C(N)=O)cs1 1327588715 SAJCMKCDXIMLSJ-UHFFFAOYSA-N 285.329 -0.272 50 20 CBGD C=CCCSCCNC(=O)NNC(=O)C(=O)OC 1327770286 MMHMPDPQPZBZJD-UHFFFAOYSA-N 275.330 -0.201 50 20 CBGD Cc1c[nH]nc1C(=O)NNC(=O)C(=O)N1CCCC1 1328859400 XRDHBWGVTUBYTM-UHFFFAOYSA-N 265.273 -0.898 50 20 CBGD COc1ccnc(C(=O)N2CC[C@H](B(O)O)C2)c1 1329216529 XRIOAUIVRQRCDQ-QMMMGPOBSA-N 250.063 -0.221 50 20 CBGD CC(F)(F)CC(=O)NNC(=O)CS(C)(=O)=O 1329590625 TXHCBZXUCNPTSD-UHFFFAOYSA-N 258.246 -0.776 50 20 CBGD N#Cc1ncn(CC(=O)NNC(=O)c2ccccn2)n1 1333691798 IDPJTVFIURAFNT-UHFFFAOYSA-N 271.240 -0.994 50 20 CBGD Cc1nscc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1335329383 HUGRMIBIJKDXSD-SSDOTTSWSA-N 268.298 -0.509 50 20 CBGD CO[C@H]1CCC[C@H]1C(=O)NNC(=O)c1cc[nH]n1 1335979313 AYNKLFOBRVQJFM-APPZFPTMSA-N 252.274 -0.014 50 20 CBGD COCCC[C@@H](C)C(=O)NNC(=O)C(=O)NC1CC1 1341927669 GGQGSAJTNXZNTO-MRVPVSSYSA-N 271.317 -0.525 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cccc(C)n1 1343896399 ONZIXCQROUOZEU-UHFFFAOYSA-N 250.258 -0.114 50 20 CBGD Cc1onc(CO)c1C(=O)NNC(=O)[C@H]1CCCCO1 1349811054 HPWDRGFOEPNJBN-SECBINFHSA-N 283.284 -0.195 50 20 CBGD O=C(CC[C@@H]1NC(=O)NC1=O)NNc1ncc(F)cc1F 1351032137 BILAWFVDOCJKHS-ZETCQYMHSA-N 299.237 -0.209 50 20 CBGD O=C(NN=Cc1ncc[nH]1)[C@H]1CN2CCC[C@@H]2CO1 1549319581 VZSWWCHFSLUJLV-NXEZZACHSA-N 263.301 -0.277 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1NCc2n[nH]cc21 1578565142 KUWLUISJMJTUGS-SSDOTTSWSA-N 254.319 -0.979 50 20 CBGD COc1cc(Cl)ccc1C(=O)NNC(=O)[C@@H](O)CN 1579155689 URBUSYQONVVRHS-QMMMGPOBSA-N 287.703 -0.571 50 20 CBGD C[C@H](O)CN(C)NC(=O)Cc1ccc(-c2nn[nH]n2)cc1 1590000317 KQJAXTSPVRZNBR-VIFPVBQESA-N 290.327 -0.247 50 20 CBGD O=C(O)[C@@]1(C(=O)NNc2ncc(F)cn2)CCCO1 1594867887 VEFMQOXDTRYIEV-JTQLQIEISA-N 270.220 -0.307 50 20 CBGD O=C(O)CCCC(=O)NNC(=O)c1cnsn1 1595027881 ULYAVJXVWRTGBZ-UHFFFAOYSA-N 258.259 -0.446 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCCC(=O)O 1604834288 JEUSBZCUXGTPMN-JGVFFNPUSA-N 273.289 -0.393 50 20 CBGD COc1nccnc1NNC(=O)[C@@H](C)n1cncn1 131997111 IEABDIGELSSCTP-SSDOTTSWSA-N 263.261 -0.219 50 20 CBGD O=C(CO)NNC(=O)c1ccn(C2CCCC2)n1 182764220 AFDBMHVZRVVKQG-UHFFFAOYSA-N 252.274 -0.249 50 20 CBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)Cc1cccnc1 264028202 LADGNUBFGATDDV-VHSXEESVSA-N 277.280 -0.419 50 20 CBGD COc1ccc(NNC(=O)[C@@H](C)S(C)(=O)=O)nc1 275714655 ZXKCRCDINXVAKJ-SSDOTTSWSA-N 273.314 -0.034 50 20 CBGD CN(C)C(=O)c1cccc(C(=O)NNC(=O)C(C)(C)O)c1 278057970 XUEMOJYZJJZFDM-UHFFFAOYSA-N 293.323 -0.080 50 20 CBGD Cc1n[nH]c(SCC(=O)NNC(=O)[C@H]2CCCCO2)n1 295649825 UVPADTPRTMGYBF-MRVPVSSYSA-N 299.356 -0.078 50 20 CBGD CCOC(=O)NNC(=O)C1(S(C)(=O)=O)CCC1 495629150 ORVHSECKFHONHN-UHFFFAOYSA-N 264.303 -0.269 50 20 CBGD COC(=O)N(C)NC(=O)[C@H]1CC(=O)N(C2CC2)C1 495826923 ZGBBHFPRKFJYCF-ZETCQYMHSA-N 255.274 -0.273 50 20 CBGD O=C(CCN1CCCC1=O)Nc1cccc(B(O)O)c1 584910940 SOJFSUQBXHNIKC-UHFFFAOYSA-N 276.101 -0.683 50 20 CBGD CC(C)CN1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584926023 XFMOGPVQKFWTGN-UHFFFAOYSA-N 290.172 -0.220 50 20 CBGD O=C(NCC1(O)CCC1)c1cc(B(O)O)ccc1F 584950629 RSTFZOMSYNFRMO-UHFFFAOYSA-N 267.065 -0.850 50 20 CBGD CC[C@H](NC(=O)c1ccc(B(O)O)cc1)c1nc[nH]n1 584951363 PTDLQYPRDMXEJQ-JTQLQIEISA-N 274.089 -0.634 50 20 CBGD CN1CC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2C1 584972373 VCIWHELQQGQLNP-RISCZKNCSA-N 288.156 -0.467 50 20 CBGD COC[C@@](C)(O)CCNC(=O)c1ccc(B(O)O)c(F)c1 584995739 QYCHMKUKOLOKLF-ZDUSSCGKSA-N 299.107 -0.977 50 20 CBGD OCCC1(CNCc2ccc(B(O)O)cc2)CCOCC1 585030793 IVHZTXVZLWEWPZ-UHFFFAOYSA-N 293.172 -0.365 50 20 CBGD O=C1CCCc2cc(S(=O)(=O)NCB(O)O)ccc2N1 585054186 JCQRODVBQWCPJA-UHFFFAOYSA-N 298.129 -0.748 50 20 CBGD O=C(O)[C@]1(C(=O)N2CC[C@@H](B(O)O)C2)C[C@H]2CC[C@H]1C2 585063875 JIUQCCZBCYJUGR-QISWUMQESA-N 281.117 -0.047 50 20 CBGD CO[C@@H](C)CCNC(=O)NNC(=O)C(=O)NC1CC1 726713184 BUOUZXZPRGAPHO-ZETCQYMHSA-N 272.305 -0.980 50 20 CBGD CNC(=O)NNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 731618239 XMIKOCHVKQKPBJ-UHFFFAOYSA-N 296.239 -0.254 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@@H](C#N)C1 732201524 DZQFJHDSAPUOFJ-BDAKNGLRSA-N 254.290 -0.843 50 20 CBGD CC(C)C(=O)NNC(=O)NCC1(CS(C)(=O)=O)CC1 752024668 SLNPXSATVXBZAN-UHFFFAOYSA-N 291.373 -0.202 50 20 CBGD CO[C@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)C1 752325304 IGQNUTZLXCPINU-VIFPVBQESA-N 257.334 -0.099 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2C)n[nH]1 752691998 CKPTYXOQWRKDML-QMMMGPOBSA-N 265.273 -0.900 50 20 CBGD O=C(CO)NNC(=O)Nc1ccn(CC(F)(F)F)n1 757748621 VHXKAUWUEZUDMW-UHFFFAOYSA-N 281.194 -0.410 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](N2CCCC2=O)C1 761114197 MADPLSXDHNRNDP-QWRGUYRKSA-N 296.371 -0.371 50 20 CBGD CN1CCN(CC(=O)NNC(=O)C2CC2)C(C)(C)C1 767006869 WMMSLDJOXRJBLV-UHFFFAOYSA-N 268.361 -0.430 50 20 CBGD CCOC(=O)NNC(=O)Nc1ccn(CC(=O)N(C)C)n1 769993185 MGQIYUIAEMAJOW-UHFFFAOYSA-N 298.303 -0.246 50 20 CBGD CSCCNC(=S)NNC(=O)CSCC(N)=O 770247622 PQLBDBPTQLKOHU-UHFFFAOYSA-N 296.443 -0.937 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNc1ccc(C(N)=O)nn1 771393360 ZVOKRQCFFBVLLE-RNFRBKRXSA-N 265.273 -0.556 50 20 CBGD COC[C@@H](O)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C 772229935 FCSBNTZQLDTBAP-RKDXNWHRSA-N 290.316 -0.881 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(C)COC1 772264236 AZWBDIKUCRTUKT-ZETCQYMHSA-N 258.274 -0.488 50 20 CBGD O=C(CN1CCOCC1)NNC(=O)CC(F)(F)F 779180222 AMFLHZBDVGELLT-UHFFFAOYSA-N 269.223 -0.582 50 20 CBGD C[C@@H]1C[C@@H](C(=O)NNc2ccc(C(N)=O)nn2)CO1 784791699 HVFUGOYIAIQWPX-RNFRBKRXSA-N 265.273 -0.556 50 20 CBGD Cn1nncc1C(=O)NNC(=O)CNc1ccccc1 799101863 RDUBZXOYUJXNSS-UHFFFAOYSA-N 274.284 -0.312 50 20 CBGD Cn1cncc1CC(=O)NNC(=O)N=c1cc[nH]cc1 802027490 JCHBPIZHTDHHKQ-UHFFFAOYSA-N 274.284 -0.368 50 20 CBGD CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1c[nH]nc1C 814781879 OILVRHKOBLOZMZ-SECBINFHSA-N 284.341 -0.007 50 20 CBGD CC1=NO[C@H](C(=O)NNC(=O)c2c[nH]nc2C)C1 826753372 FFGCVFBBRQOPFP-QMMMGPOBSA-N 251.246 -0.356 50 20 CBGD CC[C@](C)(CC(=O)O)NCC(=O)NNC(=O)C1CC1 828656904 ALIWHBMUNDFMID-GFCCVEGCSA-N 271.317 -0.223 50 20 CBGD CCOC(=O)[C@H](CC)C(=O)NNC(=O)NCCCOC 840289288 WEEAGUDGFBCCJG-SECBINFHSA-N 289.332 -0.057 50 20 CBGD Cn1c(NNC(=O)C2(N)CC2)nc2ccccc2c1=O 843369546 FIPBVUYOTYVKGR-UHFFFAOYSA-N 273.296 -0.132 50 20 CBGD CC(C)C[C@H](C(N)=O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843967153 NJJHWMVZQMQFJA-KXUCPTDWSA-N 285.344 -0.294 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(C(N)=O)c1 843971725 DIFWFVGHUSRRBJ-GZMMTYOYSA-N 291.307 -0.029 50 20 CBGD CC1=C(C(=O)NNC(=O)C2CC2)[C@H](C)n2nnnc2N1C 847285881 XTQBUUYUHUHECX-ZETCQYMHSA-N 291.315 -0.485 50 20 CBGD O=C(C[C@H]1CCC(=O)N1)NNC(=O)N=c1cc[nH]cc1 854377693 UPIJEIKLGURVAN-SECBINFHSA-N 277.284 -0.675 50 20 CBGD CCn1ncn(NC(=O)/C(C#N)=C\c2cnn(C)c2)c1=O 854626999 CFCVBNLGROMWJH-WMZJFQQLSA-N 287.283 -0.525 50 20 CBGD O=C(CC[C@@H]1CCOC1)NNC(=O)c1cc[nH]n1 855357617 NDBQKWJLGXLLFH-MRVPVSSYSA-N 252.274 -0.013 50 20 CBGD CO[C@](C)(C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 862461962 NOLDOHSUOVTFSB-UFBFGSQYSA-N 269.301 -0.773 50 20 CBGD C#CCN(C)CCCNC(=O)c1ccc(B(O)O)cc1 863883996 UXNWVHVJKRZTLT-UHFFFAOYSA-N 274.129 -0.949 50 20 CBGD C[C@H](CCNCc1ccc(B(O)O)cc1)N(C)C 895290650 PANHAEJKSSIENN-LLVKDONJSA-N 250.151 -0.204 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCCN1c1ncccn1 910139146 PMKCBQRUKGYSAD-WDEREUQCSA-N 279.344 -0.211 50 20 CBGD Cc1cnc2nc(C(=O)NN(C)C[C@H](C)O)nn2c1 910139169 PUKQYJPWDAGSJO-QMMMGPOBSA-N 264.289 -0.610 50 20 CBGD CC(C)(C)[C@H](O)C(=O)NNC(=O)CN1CCCC1=O 913732424 WJIXYECPVXJPJS-SNVBAGLBSA-N 271.317 -0.837 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1ccn(C)n1 1118236721 IMCSRUDDAASUBZ-SFYZADRCSA-N 288.329 -0.845 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cnc(C)s1 1254935238 FZPMTUNDORQGFT-UHFFFAOYSA-N 258.259 -0.223 50 20 CBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cnc(C)nc1 1321154355 SITCGJYTVPKKLA-SSDOTTSWSA-N 279.300 -0.083 50 20 CBGD CC[C@@H](NC(=O)NNC(=O)C(=O)OC)[C@H]1CCCO1 1323019542 JVIDYCYMHYXIFD-HTQZYQBOSA-N 273.289 -0.553 50 20 CBGD Cn1cnc(C(=O)NNC(=O)NCc2ccco2)n1 1324305037 FIHDLPNCSFMPCQ-UHFFFAOYSA-N 264.245 -0.448 50 20 CBGD NC(=O)NC1(C(=O)NNC(=O)CC(F)(F)F)CC1 1328301032 GCDLKGYQDHONHZ-UHFFFAOYSA-N 268.195 -0.713 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2CCC[C@@H](F)C2)N1 1328800292 QXKDNZBNPIXWOM-HRDYMLBCSA-N 286.307 -0.124 50 20 CBGD O=C(Cc1ccc(O)cc1)NNC(=O)[C@@H]1CCC(=O)N1 1329273398 JBLAYFXTBIVLBA-JTQLQIEISA-N 277.280 -0.639 50 20 CBGD CO[C@@]1(CNC(=O)NNC(=O)c2cnn(C)c2)CCOC1 1337967601 AKMQCVCRTLORJO-GFCCVEGCSA-N 297.315 -0.830 50 20 CBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNc1ncncc1F 1348675812 ZSDKUGZSUDQFDL-WCBMZHEXSA-N 280.307 -0.553 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@@H](OC)C(=O)O 1574237008 KXGVHUPZJSYKQW-SECBINFHSA-N 282.252 -0.444 50 20 CBGD N[C@H]1CC[C@H](NC(=O)NNC(=O)c2ncccn2)CC1 1580419999 SOLHJYWQRQVJJT-KYZUINATSA-N 278.316 -0.310 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCN2)n2cccc21 1580843618 KOCDXMLKMCYWDC-WPRPVWTQSA-N 276.296 -0.485 50 20 CBGD Cn1c(C(=O)NNc2cccnn2)ccc1-c1nn[nH]n1 1592550077 UIVMSWJZJGLNTL-UHFFFAOYSA-N 285.271 -0.248 50 20 CBGD NC(=O)c1ccc(NNC(=O)C2(C(=O)O)CC=CC2)nn1 1594649859 AOFYMKNMGZXOSQ-UHFFFAOYSA-N 291.267 -0.560 50 20 CBGD O=C(CN[C@H](C[C@@H]1CCCO1)C(=O)O)NNC(=O)C1CC1 1601326979 ZIIXQXWUNSNJAT-VHSXEESVSA-N 299.327 -0.844 50 20 CBGD CC(C)C[C@@H](CNC(=O)c1ccc(B(O)O)cc1)C(=O)O 1603010278 DDZCZUXCZSWGOH-NSHDSACASA-N 293.128 -0.157 50 20 CBGD Cc1oc(-c2nn[nH]n2)cc1C(=O)NN(C)C(N)=O 1609467532 KDPOKQRHSMJSMN-UHFFFAOYSA-N 265.233 -0.577 50 20 CBGD COc1ccnc(NNC(=O)[C@@H](C)n2cncn2)n1 47493456 MGZJTGDPULXTLH-SSDOTTSWSA-N 263.261 -0.219 50 20 CBGD CNS(=O)(=O)CC(=O)NNC(=O)OC(C)(C)C 267545516 BCFMGIIVMISOHA-UHFFFAOYSA-N 267.307 -0.909 50 20 CBGD CNS(=O)(=O)CCNC(=O)NNc1cccc(F)n1 287123752 MHHYRTZNUCFHIE-UHFFFAOYSA-N 291.308 -0.604 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1NC(=O)O[C@@H]1C 496973618 IYCHSDPNNGUEPB-PHDIDXHHSA-N 258.303 -0.835 50 20 CBGD C[C@H]1CN(C(=O)COc2ccc(B(O)O)cc2)C[C@H](C)O1 584909480 MBZBHDBJXZPIIK-QWRGUYRKSA-N 293.128 -0.619 50 20 CBGD CCN1CCO[C@H](C(=O)Nc2cccc(B(O)O)c2)C1 584912299 MLZPEXQPAXOHDL-LBPRGKRZSA-N 278.117 -0.974 50 20 CBGD CC1CCN(CCNC(=O)c2cccc(B(O)O)c2)CC1 584929517 NOIZESKTUZTVGE-UHFFFAOYSA-N 290.172 -0.172 50 20 CBGD C[C@@H](CNC(=O)c1cc(B(O)O)ccc1F)[S@@](C)=O 584967374 UJRQMAIACXDEQJ-ZDVLTJLQSA-N 287.121 -0.998 50 20 CBGD CN(C(=O)c1cccc(B(O)O)c1)C1CCC(O)CC1 584977563 SIKNIGUNFPAFGP-UHFFFAOYSA-N 277.129 -0.258 50 20 CBGD NC(=O)[C@@H]1CCC[C@H](NCc2ccc(B(O)O)cc2F)C1 585030077 OIIDAPUGEZNWNO-SKDRFNHKSA-N 294.135 -0.361 50 20 CBGD O=C(COc1ccc(Br)cn1)NCB(O)O 585066613 MJWOBCVRXMEQOK-UHFFFAOYSA-N 288.894 -0.649 50 20 CBGD O=C(NCC(=O)N1CC[C@@H](B(O)O)C1)C1CCCCC1 585071198 OIHRRORRRFFDIP-LLVKDONJSA-N 282.149 -0.242 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1ccc(=O)n(C)n1 726538676 SWULGOMPPFJXBT-UHFFFAOYSA-N 275.268 -0.806 50 20 CBGD Cn1cccc1C=NNC(=O)[C@@H]1CCS(=O)(=O)C1 730575666 GBVNVLAAORDIME-SECBINFHSA-N 269.326 -0.090 50 20 CBGD C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NNC(=O)O)C1 736756645 VKKXVVIPCQOUNA-RNFRBKRXSA-N 251.308 -0.019 50 20 CBGD Cn1nnnc1-c1cccc(S(=O)(=O)NNC(=O)O)c1 738416944 UNQZVUULIZUWGO-UHFFFAOYSA-N 298.284 -0.662 50 20 CBGD CN(C)C(=O)NNC(=O)c1cccc(-n2cnnn2)c1 746012724 HSIIGSVGSOSBLJ-UHFFFAOYSA-N 275.272 -0.422 50 20 CBGD CC[C@H](C)NC(=S)NNC(=O)[C@@H]1CCS(=O)(=O)C1 749761860 IBKBRNBYYOABSK-JGVFFNPUSA-N 293.414 -0.285 50 20 CBGD CCNC(=O)NNC(=O)[C@@H](C(C)C)N1CCCC1=O 751372994 XFKLNZYGAMBJNL-SNVBAGLBSA-N 270.333 -0.016 50 20 CBGD COCC(=O)NNC(=O)Nc1cnc2c(c1)COCC2 757938361 FROWGIGGQXCFTH-UHFFFAOYSA-N 280.284 -0.047 50 20 CBGD COC(=O)C1(C(=O)NNC(=O)Cc2cccnc2)CC1 766467915 UDJUDEHNAALRHK-UHFFFAOYSA-N 277.280 -0.275 50 20 CBGD C=CCOCC(=O)O[C@H](C)C(=O)NNC(=O)CC 772093371 WHZKHVIUZKZLNJ-MRVPVSSYSA-N 258.274 -0.322 50 20 CBGD Cc1cc(C(=O)NNC(=O)Cc2noc(C)c2C#N)n[nH]1 779539439 DIUUMZQTLUPNSN-UHFFFAOYSA-N 288.267 -0.110 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 786845218 MCHVWGNQNUWJBJ-JGVFFNPUSA-N 256.306 -0.420 50 20 CBGD O=C(CN1C[C@H](O)Cc2ccccc21)NNC(=O)C1CC1 789353470 KNLNSPHQJSYPAJ-GFCCVEGCSA-N 289.335 -0.033 50 20 CBGD Cc1c(S(=O)(=O)NNC(=O)NC(C)C)cnn1C 793385806 SCCLDCJIDFEYCW-UHFFFAOYSA-N 275.334 -0.371 50 20 CBGD CN(CC(=O)NNc1ncncc1F)C(=O)C1CC1 817080788 DUJFJBYVXZHVOW-UHFFFAOYSA-N 267.264 -0.073 50 20 CBGD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NN(C)C1CC1 819650346 IRGKPRLPOIXLBP-XVKPBYJWSA-N 255.318 -0.613 50 20 CBGD Cn1cc(-c2nn[nH]n2)cc1C(=O)NNc1ncccn1 822645655 JDYBVRILQBBCPY-UHFFFAOYSA-N 285.271 -0.248 50 20 CBGD O=C(CN1CCOC1=O)NNC(=O)CC(F)(F)F 823828776 HZDGQESYMOLEKK-UHFFFAOYSA-N 269.179 -0.462 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1C(=O)NCC[C@H]1C 826710003 DCSAURBFFUFTLE-XFWSIPNHSA-N 298.343 -0.734 50 20 CBGD C[C@H](CC(=O)O)C(=O)NNC(=O)c1cccn1C 827303583 HCLOZDTUPHPLKI-SSDOTTSWSA-N 253.258 -0.103 50 20 CBGD O=C(COCc1ccccc1)NNC(=O)C[C@H]1CC(=O)N1 828320283 ZWWPTGPQEFKJCI-LLVKDONJSA-N 291.307 -0.371 50 20 CBGD O=C(O)c1ccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)[nH]1 833312292 NMHXZURATXLHND-ZETCQYMHSA-N 299.308 -0.402 50 20 CBGD Cc1ccccc1CC(=O)NNC(=O)CN(C)[C@H](C)CO 839595219 FHPBAWKVWRXWOU-GFCCVEGCSA-N 293.367 -0.002 50 20 CBGD CCNCCCNC(=O)NNC(=O)[C@@H]1CCCCO1 841917646 RDABTUCUYYRXNM-JTQLQIEISA-N 272.349 -0.115 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(C)(N)CC1 843375548 ZJPJIRYJEFZMQU-VIFPVBQESA-N 256.350 -0.255 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cn1cc([N+](=O)[O-])cn1 843640104 BCKMOFXWYRDMTI-CBAPKCEASA-N 297.271 -0.636 50 20 CBGD O=C(NNC(=O)C1CC2(CCC2)C1)C(=O)NC1CC1 843756433 YTVZRMHXWDDAIJ-UHFFFAOYSA-N 265.313 -0.007 50 20 CBGD O=C(NN=Cc1ccc(CO)cc1)C(=O)NC1CC1 853282369 BBXRBJYQUGSTNJ-UHFFFAOYSA-N 261.281 -0.092 50 20 CBGD Cn1nncc1NNC(=O)CN1CCCCCC1=O 857271155 CFOYFZOMDXWGEA-UHFFFAOYSA-N 266.305 -0.339 50 20 CBGD CC1(C)C[C@@H]1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858215495 GKVWEIQARYJAIL-HTQZYQBOSA-N 268.317 -0.359 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCCOCC2CCC2)N1 858363067 NSXHBUKSBRMDCQ-SNVBAGLBSA-N 298.343 -0.588 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cn(C2CC2)nn1 862095448 LSIJJLKTIYZXJL-IONNQARKSA-N 279.300 -0.201 50 20 CBGD C=CC(=O)N(C)CC(=O)NNC(=S)NCC1CCC1 862151377 QTQSAODNRQDMRX-UHFFFAOYSA-N 284.385 -0.074 50 20 CBGD COCCOCC(=O)NNC(=O)c1ncc(F)cc1F 869906296 LDAOMQBHSGJPKB-UHFFFAOYSA-N 289.238 -0.216 50 20 CBGD C[C@H](CN1CCCC1=O)NC(=O)NNC(=O)c1ccc[nH]1 918099889 FUHIVAQFHLOIPP-SECBINFHSA-N 293.327 -0.030 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=O)CC(F)(F)F 918364338 NSAJAPJJLGGMQG-SCSAIBSYSA-N 255.196 -0.389 50 20 CBGD CN1CC[C@@H]1CNC(=O)NNC(=O)[C@@H]1CCCCO1 925425680 SWBXFMKSQALAEP-ZJUUUORDSA-N 270.333 -0.410 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C#N)cc1 1116600336 SQYDVWJOQISGOS-UHFFFAOYSA-N 276.252 -0.709 50 20 CBGD O=C(NNC(=O)C1CCOCC1)c1cnn2ccncc12 1262031218 KPDUEXNDHSBCCP-UHFFFAOYSA-N 289.295 -0.083 50 20 CBGD Cn1ccnc(NNC(=O)C[C@H]2CCOC2)c1=O 1320723621 XWNJMQHKNQZXMF-MRVPVSSYSA-N 252.274 -0.350 50 20 CBGD Cn1ccnc(NNC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)c1=O 1320768388 SSJUZOBUJXKXJU-RKDXNWHRSA-N 293.327 -0.485 50 20 CBGD CS(=O)(=O)C1(C(=O)NNC(=O)C2CCC2)CC1 1321179263 AXEWGCCRKLIKGJ-UHFFFAOYSA-N 260.315 -0.489 50 20 CBGD O=C(CS[C@@H]1CCS(=O)(=O)C1)NNC(=O)C1CC1 1321405001 YJZCXGIOYFOZPW-MRVPVSSYSA-N 292.382 -0.536 50 20 CBGD CN(NC(=O)[C@H](c1cncn1C)N(C)C)C(N)=O 1321618974 LNEJARVKQNFJNM-QMMMGPOBSA-N 254.294 -0.936 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](C)Cc1ccco1 1322253416 IWYUFPALTODOSQ-SSDOTTSWSA-N 269.257 -0.286 50 20 CBGD Cc1nnc(COCC(=O)NN(C)[C@@H](C)CO)s1 1329862360 NOHDFIBWSNAAKC-ZETCQYMHSA-N 274.346 -0.293 50 20 CBGD C=CCNC(=S)NNC(=O)CCc1nc[nH]n1 1344524138 NNAODYVOKKLSGE-UHFFFAOYSA-N 254.319 -0.581 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)N[C@@H]1CCNC1 1351546399 OCNJEYJQNVTQDM-SECBINFHSA-N 264.289 -0.799 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2CN3CCN2C[C@@H]3C)n1 1518889057 FSYYTPQPTNLWQC-UWVGGRQHSA-N 292.343 -0.683 50 20 CBGD Cn1cc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)nn1 1549317498 LUWLKNWOSPLBGC-QWRGUYRKSA-N 278.316 -0.872 50 20 CBGD O=C(NNC(=O)c1cnsn1)N[C@H]1CC=C(C(=O)O)C1 1601555982 UTSNWAOOJRIJOA-LURJTMIESA-N 297.296 -0.345 50 20 CBGD O=C(O)C[C@]1(NCC(=O)NNC(=O)C2CC2)CCCOC1 1601933208 PXKZWYBIMMWJNC-CYBMUJFWSA-N 299.327 -0.843 50 20 CBGD O=C(O)CCc1ccc(NC(=O)NNC(=O)CO)cc1 1602039932 UBYCXTGOYSNDOV-UHFFFAOYSA-N 281.268 -0.151 50 20 CBGD CCN(C(=O)c1cccc(B(O)O)c1)[C@@H](C)C(=O)O 1603714643 QZYAZDPVYGVEIY-QMMMGPOBSA-N 265.074 -0.698 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@H](C(=O)O)C1CC1 1605814861 WYHBLBQZYQQHCK-SECBINFHSA-N 278.268 -0.233 50 20 CBGD O=C(O)CN1CCC[C@@H](C(=O)NNc2cccnn2)C1=O 1606253720 WSHKJJZHZMMMTA-QMMMGPOBSA-N 293.283 -0.757 50 20 CBGD O=C(NNc1cccnn1)c1cccc(-c2nn[nH]n2)n1 1606861864 JTROANFUEKWUQZ-UHFFFAOYSA-N 283.255 -0.191 50 20 CBGD COc1ccc(NC(=S)NNC(=O)C(=O)O)cn1 1610342364 IJVXLLTWWSYHLA-UHFFFAOYSA-N 270.270 -0.508 50 20 CBGD CNC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 47968227 YWKNMFONTNRWMR-UHFFFAOYSA-N 271.298 -0.336 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CN(C)c1ccccc1 65858235 CJNABTPRPMUHEZ-UHFFFAOYSA-N 292.339 -0.205 50 20 CBGD NC(=O)C1(NCC(=O)NNC(=O)c2ccccc2)CC1 183818574 XTRGSIPRDVCTAM-UHFFFAOYSA-N 276.296 -0.945 50 20 CBGD COc1nccnc1NNC(=O)[C@H]1COCCO1 274080115 LPQMMBXSCIFPTC-SSDOTTSWSA-N 254.246 -0.656 50 20 CBGD CCOC1CC(C(=O)NNC(=O)c2cnn(C)c2)C1 287036721 MEWWYXNDCIDYBM-UHFFFAOYSA-N 266.301 -0.004 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNc1nccc(OC)n1 362442502 PPOZHKNSWCRSOC-VIFPVBQESA-N 281.316 -0.351 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1CCCCS1(=O)=O 405004072 PURRECDWVYNGHB-LLVKDONJSA-N 297.141 -0.728 50 20 CBGD CCOCCCNC(=O)c1cccc(B(O)O)c1 584925413 UYYYKHBUVHGOGU-UHFFFAOYSA-N 251.091 -0.477 50 20 CBGD C[C@@H]1CC[C@H](CO)CN1C(=O)c1cc(B(O)O)ccc1F 584966910 CKIYLFPHQRSQJK-ZJUUUORDSA-N 295.119 -0.262 50 20 CBGD C[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)[C@H]1CO 584970028 KUAHKKHUERADJA-MFKMUULPSA-N 277.129 -0.401 50 20 CBGD CC(C)N1CCC[C@H](NC(=O)c2cccc(B(O)O)c2)C1 584977205 KQVOTAWOZIWJDL-AWEZNQCLSA-N 290.172 -0.031 50 20 CBGD C[C@@H]1CCC[C@]1(O)CNC(=O)c1cccc(B(O)O)c1 584994659 MOJMTHGUZPMOIP-YGRLFVJLSA-N 277.129 -0.353 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1)[C@@H](C)n1cncn1 585019523 CISUCWTZHIUVHE-WDEREUQCSA-N 274.133 -0.303 50 20 CBGD CCN(CCNCc1ccc(B(O)O)o1)C1CC1 585020763 INQXEZYNGLBJLS-UHFFFAOYSA-N 252.123 -0.467 50 20 CBGD CC1(C)CN(CCNCc2ccc(B(O)O)cc2)CCO1 585022757 YKGXQOFDPHINLE-UHFFFAOYSA-N 292.188 -0.433 50 20 CBGD C[C@@H](NCc1ccccc1B(O)O)[C@H]1CN(C)CCO1 585028882 SHTYZYHGGRFJDG-BXUZGUMPSA-N 278.161 -0.825 50 20 CBGD CNC(=O)[C@@H]1CCC[C@H]1NCc1cccc(B(O)O)c1 585031409 FMLAUOMLKOKAGV-CHWSQXEVSA-N 276.145 -0.629 50 20 CBGD CN1CC[C@@H](CNCc2ccccc2B(O)O)CC1=O 585047426 BYIIVDUMJMQYDN-LLVKDONJSA-N 276.145 -0.676 50 20 CBGD N#Cc1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)s1 585055669 CMKAYWWFZONVAS-SSDOTTSWSA-N 286.143 -0.143 50 20 CBGD Cc1nc(N2CC[C@@H](B(O)O)C2)sc1S(N)(=O)=O 585079209 VBGLBLKTLJEBJM-ZCFIWIBFSA-N 291.163 -0.848 50 20 CBGD COCCCNC(=O)NNC(=O)c1cn(C)nc1C 733255630 HVBKCJIEGUNUQV-UHFFFAOYSA-N 269.305 -0.291 50 20 CBGD CC(C)S(=O)(=O)CC(=O)NNc1cnccn1 734245381 XNQJDWSOERSNDG-UHFFFAOYSA-N 258.303 -0.257 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H](CC(N)=O)C1 746676448 WKITVZSIOGAXPI-JTQLQIEISA-N 298.387 -0.233 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNc1ncnc2[nH]cnc12 753416115 KVDUXGGBUJLUHG-LURJTMIESA-N 275.272 -0.583 50 20 CBGD COC[C@@](C)(O)C(=O)NNc1nc(-c2cccnc2)no1 755001337 MMXFAMQIIJYWNS-GFCCVEGCSA-N 293.283 -0.028 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@]2(C)CCOC2)n[nH]1 755645123 DKNLVRICYJCRIT-NSHDSACASA-N 252.274 -0.094 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2nccn3ccnc23)n[nH]1 768276730 FVDZVVNUYOKTRT-UHFFFAOYSA-N 285.267 -0.164 50 20 CBGD CCCN(C)CC(=O)NNC(=O)c1cc(C)[nH]n1 768276784 ICLPTGCHUYRSIY-UHFFFAOYSA-N 253.306 -0.179 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccnnc1C 772215278 GYDBKDRMEOFSAS-MRVPVSSYSA-N 280.284 -0.112 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(N)nc1 807970457 KPUJPVOMTHVGFB-SSDOTTSWSA-N 285.329 -0.948 50 20 CBGD COc1ccc(C(C)=NNC(=O)C(N)=O)cc1O 811630269 WVKZKOYOTIRMDB-UHFFFAOYSA-N 251.242 -0.274 50 20 CBGD Cc1c(CC(=O)NNC(=O)C(C)(C)O)cnn1C 816360176 OHEUQEDQLBRIAU-UHFFFAOYSA-N 254.290 -0.811 50 20 CBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)c1ccccn1 816808483 PGHXNVLYJQFRMD-HTQZYQBOSA-N 262.269 -0.646 50 20 CBGD CCNC(=O)CCC(=O)NNc1ncncc1F 817081465 COHLWULJUDRBOA-UHFFFAOYSA-N 255.253 -0.025 50 20 CBGD C[C@@H](C(=O)NNC(=O)CC1CC1)N1CCN(C)CC1 819140257 FZNFUTRPXLSHQV-JTQLQIEISA-N 268.361 -0.430 50 20 CBGD C=CCCNC(=O)NNC(=O)C(=O)N1CCCC1 820771851 WMRKTMVDYIZURR-UHFFFAOYSA-N 254.290 -0.485 50 20 CBGD CCN(CCO)NC(=O)CSc1nnnn1C1CC1 823842758 XDFXNXYEFIUCBA-UHFFFAOYSA-N 286.361 -0.555 50 20 CBGD CC(C)CCC(=O)NCC(=O)NN(C)[C@H](C)CO 823959928 SJNAMJZRTUJUGP-SNVBAGLBSA-N 259.350 -0.117 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CN1C(=O)COc2ccccc21 823987666 KWLAQOLUPOKJEM-JTQLQIEISA-N 293.323 -0.244 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)nn1 843650832 HVFSTVVUBWEWHC-HTQZYQBOSA-N 280.284 -0.329 50 20 CBGD C[C@H](CNC(=O)NNC(=O)[C@H]1CCCCO1)C(=O)O 848584278 SSAVANHLDZJNNY-HTQZYQBOSA-N 273.289 -0.393 50 20 CBGD CC(C)(C)n1nnc(C=NNC(=O)Cc2cc[nH]n2)n1 853351014 RYOQLFHIVOAUNC-UHFFFAOYSA-N 276.304 -0.156 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)OCC(F)(F)F)nn1 853429069 CDXCXDTYCJNSKU-UHFFFAOYSA-N 295.177 -0.015 50 20 CBGD O=C1CCC[C@H](C(=O)NNC(=S)NCC2CCC2)N1 855089656 ABGFQUWFDQIPBD-SECBINFHSA-N 284.385 -0.050 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)c2cc[nH]n2)CC1=O 855359024 BVEVGJOCTRSARN-ZETCQYMHSA-N 265.273 -0.961 50 20 CBGD Cc1nc(Cl)cc(NNC(=O)Cn2cnnn2)n1 857541484 UIXVUDMNPCBLBE-UHFFFAOYSA-N 268.668 -0.432 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2C[C@@H]2C2CC2)N1 862463011 WMHLKZSAMOIJSR-HRDYMLBCSA-N 251.286 -0.542 50 20 CBGD CCOC(=O)c1nn(C)cc1CN1CC[C@@H](B(O)O)C1 864233579 KRUFPHCRDQWPTA-SNVBAGLBSA-N 281.121 -0.355 50 20 CBGD C[C@H]1CCOCCN1C(=O)c1cccc(B(O)O)c1 867218825 CKPIIZRIWPTFCT-JTQLQIEISA-N 263.102 -0.383 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CN(C)C1CCC1 900006943 DSYVAQFMMUMBDG-UHFFFAOYSA-N 270.333 -0.857 50 20 CBGD CNC(=O)NNC(=O)CN1CSCCSC1 900353308 PYUHCUQLPVASHU-UHFFFAOYSA-N 264.376 -0.356 50 20 CBGD CN1C(=O)CCC[C@H]1C(=O)NNC(=O)c1cccnc1 905053092 VLEFPFRJEFAVPC-JTQLQIEISA-N 276.296 -0.147 50 20 CBGD CCC(=O)[C@@H]1CCCN1C(=O)c1cccc(B(O)O)c1 909336348 SELFUQQZPFUFDL-LBPRGKRZSA-N 275.113 -0.050 50 20 CBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NN(C)C[C@H](C)O)C2 910146554 JUAPCANHEIAFSN-BJDJZHNGSA-N 297.355 -0.027 50 20 CBGD Cc1cnc2c(C(=O)NN(C)[C@@H](C)CO)cnn2c1 911445401 UNVWDYUCTGNJDO-VIFPVBQESA-N 263.301 -0.005 50 20 CBGD O=C(NN=C1CCS(=O)(=O)C1)c1ccncc1 912773246 CUUODMZPURQWGE-UHFFFAOYSA-N 253.283 -0.014 50 20 CBGD CCC[C@@H](O)CC(=O)NNC(=O)CN1CCCC1=O 913731414 HVTQIFISQFQAAY-SECBINFHSA-N 271.317 -0.693 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1cc2n(n1)CCC2 913732919 NPSGABXVKDELJL-UHFFFAOYSA-N 291.311 -0.787 50 20 CBGD Cc1cc(C(=O)NNC(=O)CS(C)(=O)=O)c(C)o1 919678457 ZFOIKVSHTKCWFQ-UHFFFAOYSA-N 274.298 -0.298 50 20 CBGD CC1=NO[C@@H](C(=O)NNC(=O)C2CCOCC2)C1 923061930 ZKVOASPJMQYKJY-SECBINFHSA-N 255.274 -0.275 50 20 CBGD CC(=O)NCC(=O)NNC(=O)NCc1ccco1 1116244795 APRJBNURAJDTMI-UHFFFAOYSA-N 254.246 -0.754 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCOC2(CCC2)C1 1116307090 NDPJIMRFRFJVGP-QMMMGPOBSA-N 285.300 -0.409 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccc(C#N)cc1 1116604113 NFJBCGRYERCRIU-UHFFFAOYSA-N 262.225 -0.116 50 20 CBGD COC(=O)NNC(=O)[C@@H]1CCc2nnn(C)c2C1 1117628488 GTLLCBQBDABTCR-ZCFIWIBFSA-N 253.262 -0.693 50 20 CBGD Cn1nnc(CNC(=O)[C@@]2(C)C[C@@H]2Br)n1 1119633486 NSXYBWYXIUBRSB-XNCJUZBTSA-N 274.122 0.000 50 20 CBGD Cc1n[nH]c(C)c1S(=O)(=O)NNC(=O)c1cnn(C)c1 1318569176 QMMVAWSDWRUFPL-UHFFFAOYSA-N 298.328 -0.617 50 20 CBGD Cc1cc(C(N)=O)ccc1NC(=O)NNC(=O)CCO 1320275238 IWUJAVFQNYVLKD-UHFFFAOYSA-N 280.284 -0.371 50 20 CBGD COCCn1nc(C(=O)NNC(=O)C2CCC2)ccc1=O 1322709974 FDCGHPDXRYMCGX-UHFFFAOYSA-N 294.311 -0.549 50 20 CBGD CC(=O)NNC(=O)c1cnc2nc(O)nc(O)c2c1 1324353568 XJYSSBCHAGMXNQ-UHFFFAOYSA-N 263.213 -0.783 50 20 CBGD C#C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)[C@@H]1CCCO1 1329240193 QRKLJEHXTUTZDH-USZNOCQGSA-N 295.339 -0.077 50 20 CBGD NC[C@@H]1OCC[C@H]1C(=O)NNc1nncc(N)c1Cl 1330591584 LEQYBMMCFMLPIG-VDTYLAMSSA-N 286.723 -0.481 50 20 CBGD Cc1occc1C(=O)NNC(=O)CS(C)(=O)=O 1331866438 XMDYCASODLTHJR-UHFFFAOYSA-N 260.271 -0.606 50 20 CBGD Cc1cc(NNC(=O)[C@H]2[C@H]3CCNC[C@H]32)nc(N)n1 1579635730 LEZCDTRXMCUHLE-XKSSXDPKSA-N 262.317 -0.334 50 20 CBGD C[C@@]1(CNC(=O)NNC(=O)C(=O)O)CCCCO1 1594019834 LAFKNNKMHFUREY-JTQLQIEISA-N 259.262 -0.639 50 20 CBGD C[C@@H]1CCCCN1[C@H](C)CNC(=O)NNC(=O)C(=O)O 1594374148 HYEZOGPWBKNFPR-RKDXNWHRSA-N 286.332 -0.336 50 20 CBGD O=C(O)C1=NO[C@@H](C(=O)NNC(=O)[C@H]2CCCS2)C1 1594889968 OXKFZGUQUZHNKY-RNFRBKRXSA-N 287.297 -0.741 50 20 CBGD N#Cc1ccc2c(c1)C[C@H](NC(=O)NNC(=O)C(=O)O)C2 1601114243 PAKRQJUUUVWIMC-SNVBAGLBSA-N 288.263 -0.560 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)c2cccn2C)CC1 106010782 PCNRVBPUHAHYIG-UHFFFAOYSA-N 264.285 -0.688 50 20 CBGD O=S(=O)(CCCCCl)N1CCN(CCO)CC1 163382515 GFQSCBHBTYBGEY-UHFFFAOYSA-N 284.809 -0.055 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)NC2CCCCC2)C1 173615325 IQIKFTCRKCQVKU-LLVKDONJSA-N 284.360 -0.020 50 20 CBGD CN1C[C@@H](NC(=O)NNC(=O)OC(C)(C)C)CC1=O 267519961 UCZAZKFIBJRCRX-ZETCQYMHSA-N 272.305 -0.044 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@@H](O)c1cccnc1 271047927 PQJZWBZHFHIANE-JTQLQIEISA-N 280.284 -0.812 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)CNC(=O)OC 276498088 BUYRMXTXWYFLGX-UHFFFAOYSA-N 291.304 -0.721 50 20 CBGD CSC[C@@](C)(O)CNC(=O)c1ccc(B(O)O)cc1 584948361 GENZPQDCHBZNLM-LBPRGKRZSA-N 283.158 -0.790 50 20 CBGD C[C@@]1(O)CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584969779 PMXYGMZEQSYWML-CYBMUJFWSA-N 281.092 -0.508 50 20 CBGD CC[C@](C)(CCO)NC(=O)c1ccc(B(O)O)c(F)c1 584971643 WJZWBYVSTJQNDK-CYBMUJFWSA-N 283.108 -0.214 50 20 CBGD C[C@@H]1CSC[C@H]1NC(=O)c1cccc(B(O)O)c1 584988287 JVJAAEMUESQWER-LDYMZIIASA-N 265.143 -0.152 50 20 CBGD CC[C@@H]1CN(C)CCN1C(=O)c1cc(B(O)O)ccc1F 584994728 NBNFBXAUPMEERU-LLVKDONJSA-N 294.135 -0.328 50 20 CBGD OB(O)c1ccc(CNCCOC[C@H]2CCOC2)cc1 585020187 PIXRHGCOLXCUDX-ZDUSSCGKSA-N 279.145 -0.491 50 20 CBGD CC(C)n1cnnc1CCNCc1ccc(B(O)O)o1 585025538 WQZARUGGBRFBKS-UHFFFAOYSA-N 278.121 -0.536 50 20 CBGD Cc1cc(C(=O)NNC(=O)N2CCOCC2)no1 745996413 WOJMQCXCMXPJPX-UHFFFAOYSA-N 254.246 -0.330 50 20 CBGD COc1cc([N+](=O)[O-])ccc1C(=O)NNC(=O)CO 757671868 NSNXWFXRASLZRP-UHFFFAOYSA-N 269.213 -0.643 50 20 CBGD CC(C)n1ncc(C(=O)NNC(=O)Cc2cc[nH]n2)c1N 758070797 WPUFIBBAUMCBLK-UHFFFAOYSA-N 291.315 -0.227 50 20 CBGD NC(=O)[C@H]1CC[C@H](CNC(=O)NNc2ccccn2)O1 759776448 NBACDRFLRKDFAA-RKDXNWHRSA-N 279.300 -0.259 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCSC2)cn1 762178494 LYWNZZBPZPWTLK-ZETCQYMHSA-N 254.315 -0.066 50 20 CBGD CCCNC(=O)NNC(=O)c1c([N+](=O)[O-])cnn1C 766830639 GZEHOXZHHLRMES-UHFFFAOYSA-N 270.249 -0.318 50 20 CBGD COCC1(C(=O)NNC(=O)N2CCOCC2)CC1 778670521 FKVBYJWTBPYSOG-UHFFFAOYSA-N 257.290 -0.514 50 20 CBGD COCCCNC(=O)NNC(=O)c1cnc(N(C)C)cn1 779658886 BOHRRCIJGSJOGF-UHFFFAOYSA-N 296.331 -0.477 50 20 CBGD COC1(C(=O)NNC(=O)CNC(=O)c2ccco2)CCC1 781640479 HAPCLHLMIVFMPG-UHFFFAOYSA-N 295.295 -0.274 50 20 CBGD NC(=O)c1cccc(C(=O)NNC(=O)C2CCC2)n1 781970288 OJAHZIFIIMBRHU-UHFFFAOYSA-N 262.269 -0.258 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1C(N)=O 782536778 XIMBWMYZBGYHDC-IVZWLZJFSA-N 284.360 -0.434 50 20 CBGD C[C@H]1C[C@H](C(=O)NNc2ccc(C(N)=O)nn2)CO1 784791697 HVFUGOYIAIQWPX-BQBZGAKWSA-N 265.273 -0.556 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c[nH]c(C#N)c1 786899850 GBLAGHQFZTXLLQ-ZETCQYMHSA-N 278.268 -0.011 50 20 CBGD CCOCC(=O)NNC(=O)Nc1ccnc(OC)n1 801726194 OMXCGVAQLOZAHR-UHFFFAOYSA-N 269.261 -0.326 50 20 CBGD CN1CCC[C@@H]1C(=O)NNC(=O)N=c1cc[nH]cc1 802029021 JZEIGFNGRKCCKD-SNVBAGLBSA-N 263.301 -0.250 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCSC1)C(=O)N1CCCC1 810275309 MDAIDPVUQQWQEY-SECBINFHSA-N 285.369 -0.101 50 20 CBGD Cc1nn(C)c(N)c1C=NNC(=O)N1CCOCC1 814821362 RXCZYIQKMCUVMV-UHFFFAOYSA-N 266.305 -0.314 50 20 CBGD COc1cnc(C(=O)NNC(=O)Cc2cccnc2)nc1 815410491 FMWAEJISVASHFK-UHFFFAOYSA-N 287.279 -0.116 50 20 CBGD CCC[C@H](C(=O)NNc1cccnn1)S(N)(=O)=O 832039951 VSHBFSVGOGXJFJ-SSDOTTSWSA-N 273.318 -0.623 50 20 CBGD COCCN(C)NC(=O)[C@@]12CCC(=O)N1CCS2 837620841 CBTGAMVNWRCWSE-NSHDSACASA-N 273.358 -0.339 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(C(=O)NC2CC2)CC1 843976870 ZMVOOLLRBMRORB-WPRPVWTQSA-N 295.339 -0.382 50 20 CBGD O=C(NNC(=O)[C@H]1CCNC1=O)c1ccccc1F 854180649 OGYJOVGEONUBIO-QMMMGPOBSA-N 265.244 -0.277 50 20 CBGD Cc1cnc(C(=O)NN(C)C(=O)N2CCNCC2)o1 857766900 XMOHLXAFUKNGPT-UHFFFAOYSA-N 267.289 -0.415 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 860667063 AOFUKJBGRIKJMV-YUMQZZPRSA-N 256.306 -0.406 50 20 CBGD COC[C@H](C)CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862455011 CIFBCQDNPULTSI-HTQZYQBOSA-N 257.290 -0.915 50 20 CBGD CC(C)(CCl)CS(=O)(=O)N1C[C@H](O)[C@@H](O)C1 867554746 CBVFKGAXWLRYQW-YUMQZZPRSA-N 271.766 -0.381 50 20 CBGD COCCOCC(=O)NNC(=O)[C@](C)(OC)C1CC1 869904249 UDXXDSZZJYRQFY-GFCCVEGCSA-N 274.317 -0.388 50 20 CBGD C#CCCCC(=O)NNS(=O)(=O)N1CC[C@@H](C)C1 901966576 OHVHDPAPKFLFKF-SNVBAGLBSA-N 273.358 -0.003 50 20 CBGD Cc1cc(C(=O)NNC(=O)CN2CCCC2=O)ns1 913732894 MTLNDVPPHSNPTE-UHFFFAOYSA-N 282.325 -0.165 50 20 CBGD COCCCNC(=O)NNC(=O)CS(=O)(=O)C(C)C 920862639 JYEFIASJGHSQCO-UHFFFAOYSA-N 295.361 -0.824 50 20 CBGD C[C@@H]1COC[C@@H]1NC(=O)c1cc(B(O)O)ccc1F 928884308 LOIOXCCOBARMDR-HQJQHLMTSA-N 267.065 -0.730 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@@H]1CCOC1 1261451959 OKDHUGKXBGUGTI-LPEHRKFASA-N 271.317 -0.222 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)c1cnn(C)c1 1318946223 UHEYAJARTPQPND-QMMMGPOBSA-N 281.316 -0.804 50 20 CBGD CC(=O)NCCNC(=O)CCC(=O)NNc1ccccn1 1319983902 CMSCMYWWSNDWFD-UHFFFAOYSA-N 293.327 -0.443 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)Cn1cncn1 1322267705 RTIRLOJIBCVNHC-UHFFFAOYSA-N 260.257 -0.937 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)Cc1cc[nH]n1 1323270644 UVQGRQVHCOSACT-UHFFFAOYSA-N 291.267 -0.877 50 20 CBGD Cc1c(S(=O)(=O)NNC(=O)c2ccc[nH]2)cnn1C 1324142634 IYFGUXIMSCGCCB-UHFFFAOYSA-N 283.313 -0.320 50 20 CBGD O=C(NNc1ncccc1F)c1cnn(C[C@@H](O)CO)c1 1329290301 DLXVZPWOTQPDBH-SECBINFHSA-N 295.274 -0.473 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cncs2)N1 1330107974 LBCFXLJADPTFPA-YFKPBYRVSA-N 254.271 -0.817 50 20 CBGD O=C(NNC(=O)C1(O)CCOCC1)OCC(F)(F)F 1330967122 XVAOSPDATAOXKN-UHFFFAOYSA-N 286.206 -0.152 50 20 CBGD COc1ccc(CCC(=O)NNC(=O)C(N)=O)cc1 1336010245 DTBCDTNZQHNFEO-UHFFFAOYSA-N 265.269 -0.740 50 20 CBGD CC(C)(O)C(=O)NNC(=O)Cn1c(=O)oc2ccccc21 1339157539 BAVJQUVLENBRDE-UHFFFAOYSA-N 293.279 -0.487 50 20 CBGD CC(C)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 1343847256 VPEKZZLJZHHVEG-MRVPVSSYSA-N 251.290 -0.356 50 20 CBGD Cn1nncc1NNC(=O)[C@H]1CCc2c[nH]nc2C1 1347708591 CNZWRXFNNKPFMR-ZETCQYMHSA-N 261.289 -0.214 50 20 CBGD CNC(=S)N(C)NC(=O)c1c(O)nnc(C)c1C 1351033216 NTCWGRLRBJROIM-UHFFFAOYSA-N 269.330 -0.120 50 20 CBGD COC1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 1357150945 MRFMTGVGZOSBHE-VIFPVBQESA-N 284.316 -0.883 50 20 CBGD C[C@@H]1COCC1=NNC(=O)[C@H]1CN2CCC[C@H]2CO1 1550191841 IKTRBKPPZQOWHH-JFGNBEQYSA-N 267.329 -0.012 50 20 CBGD N[C@@H]1C[C@H](C(=O)NNC(=O)c2cccc(F)n2)[C@H]2C[C@H]21 1580401516 HUQDENPPYVQCIQ-UYXSQOIJSA-N 278.287 -0.035 50 20 CBGD O=C(NNC(=O)c1ncccn1)C1=C2CCN=C2NC=C1 1580737876 ZOXIFGDGVQKXHU-UHFFFAOYSA-N 284.279 -0.547 50 20 CBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)o1)c1cn[nH]c1 1593158717 YQCWSIXBWZIMCP-UHFFFAOYSA-N 288.227 -0.742 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCCCC(=O)O)nn1 1600931617 AXIOQIACNCJGAK-UHFFFAOYSA-N 284.276 -0.986 50 20 CBGD O=C(NC[C@@H]1C[C@H]2CCC[C@@H]2O1)NNC(=O)C(=O)O 1601478882 NBEAROIDXSMKPF-CSMHCCOUSA-N 271.273 -0.641 50 20 CBGD O=C(Nc1n[nH]cc1C(=O)O)c1cc(B(O)O)ccc1F 1605872783 BHYVEUZEFIULKO-UHFFFAOYSA-N 293.019 -0.821 50 20 CBGD NC(=O)NCCC(=O)NNC(=O)NC1CCCC1 49458449 STTPXBMZZXJSNG-UHFFFAOYSA-N 257.294 -0.682 50 20 CBGD CN(CCO)CC(=O)NNC(=O)c1cccs1 49633615 LGWHNEONYPOHPU-UHFFFAOYSA-N 257.315 -0.567 50 20 CBGD CCc1cc(C(=O)NNC(=O)c2cnn(C)c2)[nH]n1 117820807 UHMDCUPNGQHRIX-UHFFFAOYSA-N 262.273 -0.220 50 20 CBGD C[C@H]1C[C@@H]1C(=O)NNC(=O)CNC(=O)c1ccco1 156890926 FOKPIEWOUCQUFU-YUMQZZPRSA-N 265.269 -0.187 50 20 CBGD CCNC(=O)CNC(=O)NNc1ccc(Cl)nn1 193275869 MYZQYXFTLFKEQG-UHFFFAOYSA-N 272.696 -0.108 50 20 CBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cocn2)C[C@@H](C)O1 264905219 YAUYAXIISZAUQB-NXEZZACHSA-N 296.327 -0.065 50 20 CBGD CCN(C)C(=O)CNC(=O)NNc1nccc(OC)n1 275026601 QQFHUJIRNZEUMD-UHFFFAOYSA-N 282.304 -0.410 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)/C=N/OC 290282097 ZGZHSXRYZNETLU-YRNVUSSQSA-N 261.278 -0.445 50 20 CBGD COCCN1C[C@@H](C(=O)NNC(=O)C2CC2)CC1=O 298342836 IDCLKCGVLXSMBS-VIFPVBQESA-N 269.301 -0.961 50 20 CBGD Cn1cc(C(=O)NNC(=O)CC2CCCC2)c(O)nc1=O 299580593 OUIKGXASGUPTNI-UHFFFAOYSA-N 294.311 -0.173 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H]1NC(=O)O[C@@H]1C 496310768 VUMQRLRXKFNZOB-RNFRBKRXSA-N 258.278 -0.386 50 20 CBGD Cn1cnc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)n1 496973161 HABPYMOVZXPUAR-UHFFFAOYSA-N 298.303 -0.899 50 20 CBGD CO[C@@H](CNC(=O)c1cc(B(O)O)ccc1F)C(C)C 584954576 JQHOMKNHGZRPGR-LBPRGKRZSA-N 283.108 -0.094 50 20 CBGD C[C@@H]1C[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)CCO1 584969532 NAXPGDZLQBLMGY-PSASIEDQSA-N 281.092 -0.197 50 20 CBGD C[C@H](CCCCO)NC(=O)c1ccc(B(O)O)c(F)c1 584994507 AEAAWAGZKBMNBU-SECBINFHSA-N 283.108 -0.214 50 20 CBGD CO[C@H]1COCC[C@@H]1CNC(=O)c1cccc(B(O)O)c1 584997599 IBBNDEFRFREJDT-YPMHNXCESA-N 293.128 -0.852 50 20 CBGD CO[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C[C@H]1C 584999443 UZYQBJOKPQKPAG-MFKMUULPSA-N 277.129 -0.137 50 20 CBGD C[C@]1(CNC(=O)c2ccc(B(O)O)cc2)CCC(=O)NC1 585003250 JCMMBTFCYAEFGX-AWEZNQCLSA-N 290.128 -0.988 50 20 CBGD Cc1nc(CCNCc2ccc(B(O)O)cc2)no1 585022143 JULRSVYRYVVHNF-UHFFFAOYSA-N 261.090 -0.610 50 20 CBGD C[S@](=O)CCCNCc1ccc(B(O)O)cc1F 585029773 UHLUXLXKPGUVLN-SFHVURJKSA-N 273.138 -0.636 50 20 CBGD CCNC(=O)C(C)(C)CNCc1ccccc1B(O)O 585030234 PGCQIFRBYXCFFC-UHFFFAOYSA-N 278.161 -0.382 50 20 CBGD C[C@H](CNCc1ccccc1B(O)O)[S@@](C)=O 585035602 VYUZSMBITPKFKF-VVVCHXIZSA-N 255.148 -0.777 50 20 CBGD O=C1C[C@H](NCc2ccccc2B(O)O)[C@@H]2CCCCN12 585041466 DDMXOTLDODESRH-KBPBESRZSA-N 288.156 -0.391 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)NC2CC2)c(C)n1C 726620044 VTDAFCAOFXHGBE-UHFFFAOYSA-N 278.312 -0.318 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cnn2cccnc12 732083500 VIOKZBZOBZCIQP-UHFFFAOYSA-N 285.267 -0.164 50 20 CBGD CC(C)C(=O)N1CCCC[C@H]1C(=O)NNC(=O)CN(C)C 733359400 OJTJQPVQPHDPOS-NSHDSACASA-N 298.387 -0.268 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1cccc(C#N)c1 748029557 HDNWDCHRRJEMSE-QMMMGPOBSA-N 282.325 -0.061 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccc2nc[nH]c2n1 755162676 LGLKDRSYINDNBX-UHFFFAOYSA-N 292.299 -0.062 50 20 CBGD C[C@@H]1Oc2ccc(NC(=O)NNC(=O)CO)cc2NC1=O 755559256 RLNMZEYFZBHXSI-LURJTMIESA-N 294.267 -0.449 50 20 CBGD C[C@H]1CCCN(C(=O)C(=O)NNC(=O)c2cnn(C)c2)C1 767931407 UNQZTPWCZUXBOH-VIFPVBQESA-N 293.327 -0.560 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cc(N)nc(Cl)c1 768247929 PCMIDFMUONYTJV-UHFFFAOYSA-N 272.692 -0.151 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CS(=O)(=O)C(C)(C)C 787955264 YBLVBXFWUOVYBE-UHFFFAOYSA-N 280.346 -0.882 50 20 CBGD CCNC(=O)NNC(=O)Cc1ccc(OC)cn1 789909891 OVZVMOYDDIGWBX-UHFFFAOYSA-N 252.274 -0.017 50 20 CBGD C[C@H]1COC(=O)C1=NNC(=O)Cc1cc(O)nc(S)n1 794889399 SLGYZWYNQALDGJ-YFKPBYRVSA-N 296.308 -0.322 50 20 CBGD CC(C)C(=O)NNC(=O)NCC1([S@@](C)=O)CC1 799403651 NUQJKOIOYRQJKJ-QGZVFWFLSA-N 261.347 -0.116 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)Cc1nncn1C 805823246 DXJYXPNSEXRRTP-JTQLQIEISA-N 296.375 -0.171 50 20 CBGD O=C(C[C@H]1CCCC(=O)N1)NNC(=O)C1CCC1 809678160 WOEJTKXDDACBGC-SECBINFHSA-N 253.302 -0.007 50 20 CBGD COC[C@H](C)[C@@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 812489967 LXYFQZIQOIHGSX-VHSXEESVSA-N 285.344 -0.325 50 20 CBGD CCc1nn(C)c(OC)c1C=NNC(=O)NCC(=O)OC 814900893 MVTGXCZDXUBIFD-UHFFFAOYSA-N 297.315 -0.203 50 20 CBGD COc1ccc(F)cc1C(=O)NNC(=O)C(=O)NC1CC1 818025329 JIIOZCMCYLORQI-UHFFFAOYSA-N 295.270 -0.126 50 20 CBGD COCCN(C)NC(=O)[C@H](C)CN1CCOCC1 819745181 SRAPOPWPAINEEK-LLVKDONJSA-N 259.350 -0.436 50 20 CBGD CCOC(=O)[C@H](CC(=O)NNC(=O)NC1CC1)C(C)=O 823768073 ODXMLFHVWLHFSX-SECBINFHSA-N 285.300 -0.362 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1sccc1-n1cnnn1 823970062 BOQKQBOZFZNMBE-SSDOTTSWSA-N 282.329 -0.319 50 20 CBGD CC(C)C(=O)NNC(=O)CN(C)C[C@@H]1CCC[C@@H]1O 828491718 ACPQSCKSXKYRIC-QWRGUYRKSA-N 271.361 -0.117 50 20 CBGD CCN(C)S(=O)(=O)NNC(=O)c1cccc(F)n1 853050952 AKOWXOPUEYKHNS-UHFFFAOYSA-N 276.293 -0.348 50 20 CBGD O=C(NN=Cc1cncnc1)[C@@H]1CN2CCC[C@@H]2CO1 853390294 SEPWXBGKPZRJHD-NEPJUHHUSA-N 275.312 -0.210 50 20 CBGD CNC(=S)N(C)NC(=O)CNc1ccccc1C(N)=O 854920886 VLGFRXGJQCVHAJ-UHFFFAOYSA-N 295.368 -0.335 50 20 CBGD Cc1ncc2n1C[C@H](C(=O)NNC(=O)c1cc[nH]n1)CC2 855355863 IRGMZSXGAMRBOT-SECBINFHSA-N 288.311 -0.062 50 20 CBGD CN1C(=O)CC[C@H]1CC(=O)NNC(=O)c1cccc(F)n1 856428600 YNVIWDNBEVZONF-QMMMGPOBSA-N 294.286 -0.007 50 20 CBGD C[C@]1(CNC(=O)[C@H](CO)NC(N)=O)C[C@H]1Br 857735226 YYHROVDBAUSCJP-CCGCGBOQSA-N 294.149 -0.695 50 20 CBGD Cc1nc(C(=O)NNC(=O)CCCCCN)no1 857766371 LVQPRHLVCJDRFT-UHFFFAOYSA-N 255.278 -0.342 50 20 CBGD O=C1N[C@@H](C(=O)NNC(=O)C2CCCC2)CCO1 858429812 RORRQCCCAFNLPN-MRVPVSSYSA-N 255.274 -0.178 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(=O)OC(C)(C)C 862458850 FCYYZAVSDWUCFN-SFYZADRCSA-N 299.327 -0.610 50 20 CBGD CO[C@H](C)CCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862461745 QYFFRQYRCIAKLF-SFYZADRCSA-N 257.290 -0.773 50 20 CBGD COC(=O)N(C)NC(=O)NCCc1ccnn1C 875493800 FHDDHLDNKMMYMW-UHFFFAOYSA-N 255.278 -0.125 50 20 CBGD CN(C)c1cccnc1C(=O)NNC(=O)C(C)(C)O 907628135 VVWBPENYNJKOOM-UHFFFAOYSA-N 266.301 -0.321 50 20 CBGD COCCCn1cc(C(=O)NN(C)C[C@@H](C)O)cn1 910139231 IGJCGXNVVYDJER-SNVBAGLBSA-N 270.333 -0.123 50 20 CBGD C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)CN2CCCC2=O)O1 913733068 UUVLYZKCFVBGGL-KBVBSXBZSA-N 283.328 -0.430 50 20 CBGD CC(C)SCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 914470523 JZZJTBCOJZLPIB-MRVPVSSYSA-N 294.398 -0.290 50 20 CBGD COc1ccnc(NNC(=O)[C@H](C)NC(C)=O)n1 914763180 WHIUPSHMLVSIEJ-LURJTMIESA-N 253.262 -0.547 50 20 CBGD C=CCCOCC(=O)NNC(=O)NCCCOC 920860483 FQSWEHLLPIPQDC-UHFFFAOYSA-N 259.306 -0.054 50 20 CBGD COc1ccc(NNC(=O)CC[C@H]2NC(=O)NC2=O)nc1 1116708811 AKUXPOCSNQAVHZ-MRVPVSSYSA-N 293.283 -0.479 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CCOCC1 1118863136 IEZVQWXHAPJYBI-WPRPVWTQSA-N 298.343 -0.590 50 20 CBGD COC(=O)[C@H](C)N(C)CC(=O)NNC(=O)C(C)C 1118903124 ROQBYNDMHFCJLP-QMMMGPOBSA-N 259.306 -0.717 50 20 CBGD C[C@]1(CNC(=O)C(=O)NC2CNC2)C[C@H]1Br 1261771634 CRGAAQQISIWPME-GMSGAONNSA-N 290.161 -0.636 50 20 CBGD CC[C@H](F)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1262579691 WZCINFMGGYOZDT-RQJHMYQMSA-N 266.294 -0.683 50 20 CBGD Cn1ccc(S(=O)(=O)NNC(=O)c2cccn2C)n1 1318200408 YVJJGJIBCCJCBD-UHFFFAOYSA-N 283.313 -0.618 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C1(C#N)CCOCC1 1318420681 BTWUVVFZPYGQFH-UHFFFAOYSA-N 277.284 -0.201 50 20 CBGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1cnccn1 1318591013 PEVMVRGTTDDUCV-VIFPVBQESA-N 297.340 -0.313 50 20 CBGD CC(=NNC(=O)CCO)c1ccc(-n2cnnn2)cc1 1318992226 IZLRCYIEHUDLKE-UHFFFAOYSA-N 274.284 -0.115 50 20 CBGD Cn1ccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)n1 1320244926 DCKPQCVWGLTPMM-UHFFFAOYSA-N 283.288 -0.086 50 20 CBGD COCCn1cc(NC(=O)NNC(=O)CCO)ccc1=O 1320280822 VXPBPFHLINWWLA-UHFFFAOYSA-N 298.299 -0.970 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1sc(C)nc1C 1320521411 VEBSPGSKYWHICG-UHFFFAOYSA-N 286.313 -0.508 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cccc(F)n1 1327716782 OSQONXRWDGPKKM-UHFFFAOYSA-N 256.193 -0.454 50 20 CBGD CC(C)NC(=S)NNC(=O)C1(n2cnnn2)CC1 1327754145 FWBIJDYSCGULEY-UHFFFAOYSA-N 269.334 -0.934 50 20 CBGD CC(=O)c1c[nH]c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 1330108378 NYAPWEBPQNOIIU-QMMMGPOBSA-N 278.268 -0.743 50 20 CBGD CC(Cc1cnccn1)=NNC(=O)[C@@H]1CCC(=O)N1 1331821912 QVVFJACFBDKFTK-JTQLQIEISA-N 261.285 -0.210 50 20 CBGD CN1CCC(C(=O)NNC(=O)c2ccnnc2)CC1 1332653241 KVJLZUAOEHWCSY-UHFFFAOYSA-N 263.301 -0.421 50 20 CBGD Cc1cccc(C(=O)NNS(=O)(=O)c2ccnn2C)n1 1344415331 IDBFKZUMIYDCQF-UHFFFAOYSA-N 295.324 -0.253 50 20 CBGD CNS(=O)(=O)C1CCN(C(=O)CCl)CC1 1350355337 SKKHXZLBCAGEQZ-UHFFFAOYSA-N 254.739 -0.235 50 20 CBGD C[C@H]1CC(=O)CC[C@@H]1C(=O)NNC(=O)NCCN 1576588041 OQFVELJHHLFEDE-CBAPKCEASA-N 256.306 -0.719 50 20 CBGD CCCNC(=O)NNC(=O)c1coc(-c2nn[nH]n2)c1 1577683812 BTOGGAYWPDJNTQ-UHFFFAOYSA-N 279.260 -0.186 50 20 CBGD CCn1c(NNC(=O)[C@@H](O)CN)nc2ccccc2c1=O 1578342115 CODKNCXQBXKOGV-JTQLQIEISA-N 291.311 -0.821 50 20 CBGD C[C@@H](CC(=O)O)NC(=O)NNC(=O)[C@H]1CCCCO1 1589000701 CXPWGEGDKCDCIS-JGVFFNPUSA-N 273.289 -0.251 50 20 CBGD C[C@@H](C(=O)O)n1cccc1C=NNC(=O)CCO 1589540206 SDGUUFGZDZRNSP-QMMMGPOBSA-N 253.258 -0.034 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)o1 1591004151 TVRHPKYBULLWRX-UHFFFAOYSA-N 265.233 -0.624 50 20 CBGD CC(C)n1cc([C@H](C)NC(=O)NNC(=O)C(=O)O)cn1 1593101410 FRLCAPYKNNHRJL-ZETCQYMHSA-N 283.288 -0.060 50 20 CBGD Cn1c(C(=O)O)ccc1C(=O)NNC(=O)c1ccnnc1 1600904209 UDCQCNONJXNXHO-UHFFFAOYSA-N 289.251 -0.412 50 20 CBGD O=C(/C=C/c1cc(C(=O)O)co1)NNC(=O)c1ncon1 1601233697 NYCWHZWEYJMZBL-OWOJBTEDSA-N 292.207 -0.165 50 20 CBGD COc1ccnc(NNC(=O)NC[C@H](C)C(=O)O)n1 1604899038 TVYXYGUZDTWYEO-LURJTMIESA-N 269.261 -0.168 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CC(CC(=O)O)C1 1609786859 QNFVRBSTTSWWNE-PKPIPKONSA-N 291.329 -0.719 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(=O)O)n1C 1609878759 LFMQLQPGZFBVIK-SFYZADRCSA-N 295.295 -0.091 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(C)c(C(N)=O)c1 48962164 NDRVIKYUMZREJA-UHFFFAOYSA-N 286.313 -0.784 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)C1CCC1 156887431 UQERVMOGGWWXII-UHFFFAOYSA-N 265.269 -0.043 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1Cc2ccccc2O1 170759302 KEJWPDCVVRQCKK-LLVKDONJSA-N 263.297 -0.301 50 20 CBGD CN(NC(=O)Cn1nnc(-c2ccccc2)n1)C(N)=O 181092020 RNQJQETUKXUVQK-UHFFFAOYSA-N 275.272 -0.618 50 20 CBGD Cn1cnn(CC(=O)NNc2ccc([N+](=O)[O-])cc2)c1=O 182594763 KCXLQOQFWDLAPD-UHFFFAOYSA-N 292.255 -0.367 50 20 CBGD COC[C@H](CNC(=O)NNc1cccnn1)OC 273052469 XNFRKZLLYGHBSS-QMMMGPOBSA-N 255.278 -0.236 50 20 CBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H](C)O 273315981 WILWJIZBJKADHG-NKWVEPMBSA-N 275.305 -0.572 50 20 CBGD NC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccccc2)O1 276607112 MICGYTOLDUWVJF-ZJUUUORDSA-N 277.280 -0.520 50 20 CBGD CC[C@](C)(OC)C(=O)NNC(=O)C(=O)NC(C)C 280652435 DRTROUVDOPHQOG-NSHDSACASA-N 259.306 -0.527 50 20 CBGD CC[C@@H](C)CONC(=O)NNC(=O)C(=O)N1CCCC1 291940110 UFLDGJZCKXLGHV-SECBINFHSA-N 286.332 -0.083 50 20 CBGD Cc1cc(C)nc(NNC(=O)CN2C(=O)CN(C)C2=O)n1 298154439 PHOXVHFYWZARCV-UHFFFAOYSA-N 292.299 -0.569 50 20 CBGD C[C@H]1COCC[C@@H]1CNC(=O)c1cc(B(O)O)ccc1F 584989622 RFPPBBHKFJLOPB-VHSXEESVSA-N 295.119 -0.092 50 20 CBGD CN(C)CC1CN(C(=O)c2cccc(B(O)O)c2)C1 584995244 JQCQPHQVCRZXIQ-UHFFFAOYSA-N 262.118 -1.000 50 20 CBGD COCC1(NC(=O)c2ccc(B(O)O)c(F)c2)CCC1 584995864 XLLLZMGVGFZWRU-UHFFFAOYSA-N 281.092 -0.196 50 20 CBGD C[C@@H](O)CN(C(=O)c1cc(B(O)O)ccc1F)C1CC1 585009520 ZQAOAXARTBSRLQ-MRVPVSSYSA-N 281.092 -0.509 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1)c1nncn1C 585022339 MKAYLDMDRQXBKK-VIFPVBQESA-N 260.106 -0.654 50 20 CBGD CC[C@](C)(CO)CNCc1cccc(B(O)O)c1 585030735 YMVDJGFSCHRACC-ZDUSSCGKSA-N 251.135 -0.135 50 20 CBGD C[C@H]1[C@@H](CNCc2ccccc2B(O)O)N(C)CCN1C 585043355 NHTBOVBYHBBQRS-SWLSCSKDSA-N 291.204 -0.910 50 20 CBGD CO[C@@H]1CCC[C@H]([C@@H](CO)NCc2ccc(B(O)O)o2)C1 585047513 QLMHFCLYZHAILP-DMDPSCGWSA-N 297.160 -0.385 50 20 CBGD O=C(NCB(O)O)c1cn(-c2ccccc2Cl)nn1 585063122 ZGKGNWOQEADKCJ-UHFFFAOYSA-N 280.480 -0.338 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cn[nH]c1 725740342 DKVXFJUMBYVXPF-UHFFFAOYSA-N 277.240 -0.806 50 20 CBGD O=C(CCN1CCOCC1)NNC(=O)CC(F)(F)F 725888587 KHNACXCPFIFABH-UHFFFAOYSA-N 283.250 -0.192 50 20 CBGD CCCCCS(=O)(=O)CC(=O)NNC(C)=O 728066060 XNCMVFVHRHAXQL-UHFFFAOYSA-N 250.320 -0.241 50 20 CBGD CNC(=O)NNC(=O)COc1cccc(C=O)c1 733255481 ZJINJVAQWHSIAZ-UHFFFAOYSA-N 251.242 -0.162 50 20 CBGD O=C(NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2)C(=O)NC1CC1 747760133 ABYSFOXLJHLVLS-NRPADANISA-N 296.396 -0.051 50 20 CBGD NC(=O)c1c[nH]c(C(=O)NNC(=O)c2ccc[nH]2)c1 749335145 PIJQBZDLAKEERK-UHFFFAOYSA-N 261.241 -0.484 50 20 CBGD C[C@H]1Oc2c(cccc2C(=O)NNC(=O)CO)NC1=O 753438655 PJAXIWFBOPTZKP-ZCFIWIBFSA-N 279.252 -0.841 50 20 CBGD CC(C)COc1ncccc1C(=O)NNC(=O)CO 753451291 CUYKOYRKYRXDCX-UHFFFAOYSA-N 267.285 -0.130 50 20 CBGD CCCN(C)CC(=O)NNC(=O)Cc1cc[nH]n1 755287303 XMSLMXQNSUGZEB-UHFFFAOYSA-N 253.306 -0.559 50 20 CBGD COC(=O)c1ccc(F)c(NC(=O)NNC(=O)CO)c1 755847852 NNEJKXCRKYIZGG-UHFFFAOYSA-N 285.231 -0.243 50 20 CBGD CSc1ccc(C)c(NC(=O)C(=O)NNC(=O)CO)c1 764428502 FWFXZXGCXFGXAG-UHFFFAOYSA-N 297.336 -0.205 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)c1ccccn1 771603722 NKWYFSSMIOTQRX-VIFPVBQESA-N 262.269 -0.537 50 20 CBGD COC(=O)CNC(=O)NN=C1CCN2CCC[C@H]12 779821229 QGRUQEJXXVNXLE-SECBINFHSA-N 254.290 -0.317 50 20 CBGD COc1ccc(NNC(=O)[C@@H]2CN3CCCN2CC3)nc1 781530392 CPVCHYLEPOXLFJ-LBPRGKRZSA-N 291.355 -0.077 50 20 CBGD Cn1c(COC(=O)/C(C#N)=C/C2CC2)cc(=O)n(C)c1=O 786678919 IMPQSVAAPWFXEB-BJMVGYQFSA-N 289.291 -0.013 50 20 CBGD COCCCNC(=O)NNC(=O)Cc1cnn(C)c1C 794248162 WSIVMDGXEVQUNI-UHFFFAOYSA-N 283.332 -0.362 50 20 CBGD Cc1nonc1C(=O)NNC(=O)NCC(F)(F)F 798313214 CIWSAAPIKSGCKT-UHFFFAOYSA-N 267.167 -0.116 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H](OC)c1cnn(C)c1 798931583 GFLAGOOWEXVCMH-VIFPVBQESA-N 269.305 -0.152 50 20 CBGD O=C(Cn1ccc(O)nc1=O)NNc1cccc(F)n1 804772747 PLPWQMRJQJGUPK-UHFFFAOYSA-N 279.231 -0.374 50 20 CBGD O=C(C[C@@H]1CCCC(=O)N1)NNC(=O)c1ccccn1 809537620 ABBZMQLDHGJJJO-VIFPVBQESA-N 276.296 -0.099 50 20 CBGD COc1ccnc(NNC(=O)[C@H]2CCc3nncn3C2)n1 814295745 DXUAQNZHLZAREC-QMMMGPOBSA-N 289.299 -0.218 50 20 CBGD Nc1nccnc1C(=O)NNC(=O)c1ccccn1 821892821 RQKLGMRPBLYIMH-UHFFFAOYSA-N 258.241 -0.471 50 20 CBGD CCN(CCO)NC(=O)C(C)(C)S(C)(=O)=O 823860084 JKMPYYPKDXFHBW-UHFFFAOYSA-N 252.336 -0.845 50 20 CBGD C[C@H](CO)N(C)NC(=O)C1(S(C)(=O)=O)CCC1 823928056 JXHCBSOEYBWMHG-MRVPVSSYSA-N 264.347 -0.703 50 20 CBGD COC(=O)C12CC(C(=O)NNC(=O)C(C)(C)O)(C1)C2 843865239 OPNQQWCZAJJNJR-UHFFFAOYSA-N 270.285 -0.752 50 20 CBGD Cc1nn(CC(=O)NNC(=O)OC(C)(C)C)c(=O)n1C 847283826 NLXMENOYSJQKFC-UHFFFAOYSA-N 285.304 -0.554 50 20 CBGD COC(=O)C[C@H](C)CC(=O)NNC(=O)N1CCOCC1 847403510 XSIFKMNSYFBQHD-SECBINFHSA-N 287.316 -0.351 50 20 CBGD COCCN(C)NC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 848378102 IDOZQFXWVHBGAZ-VHSXEESVSA-N 257.334 -0.113 50 20 CBGD CN1CCN(C(=O)NNC(=O)C(=O)C(C)(C)C)CC1 854378909 HSGGXKCEYNCPCX-UHFFFAOYSA-N 270.333 -0.410 50 20 CBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=O)CC(F)(F)F 855001074 TWXYVMXCRRMCIC-LURJTMIESA-N 299.249 -0.781 50 20 CBGD COc1c(C(=O)NNC(=O)c2cc[nH]n2)c(C)nn1C 855358855 XYJKLBAUMYPQHM-UHFFFAOYSA-N 278.272 -0.465 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1ncc(F)cc1F 857532988 CREWBBPGYCUZNL-RXMQYKEDSA-N 294.283 -0.259 50 20 CBGD CON(C)C(=O)[C@@H](C)NC(=O)NNc1ccncn1 858986857 IFCULFGOIDEXHN-SSDOTTSWSA-N 268.277 -0.489 50 20 CBGD Cc1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)nc1 860910552 QXKZDOFCDTZAKU-MRVPVSSYSA-N 277.284 -0.179 50 20 CBGD COC1CC(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1 862096211 VKXODHGPDZQJDF-AUXWQGHOSA-N 256.302 -0.016 50 20 CBGD C[C@@H](NNC(=O)C1=NN(CCO)C(=O)CC1)C(F)(F)F 862316540 PWOKPTYJDIYMEU-ZCFIWIBFSA-N 296.249 -0.471 50 20 CBGD C[C@@]1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCCOC1 862459798 BKCNYMHMVPMCOY-PRHODGIISA-N 269.301 -0.771 50 20 CBGD CCn1cc(C(C)=NNC(=O)CS(C)(=O)=O)cn1 863188510 WXDCTLXCSBDSRN-UHFFFAOYSA-N 272.330 -0.212 50 20 CBGD O=C(NNC(=O)c1cccc(B(O)O)c1)NC1CCCC1 863872050 LAHQGWUINIUTFC-UHFFFAOYSA-N 291.116 -0.747 50 20 CBGD O=C1NCC[C@@]1(C(=O)NNc1nc[nH]n1)C1CCCC1 863917113 VGGBMERMNPVLHS-GFCCVEGCSA-N 278.316 -0.056 50 20 CBGD CC[C@@H](NC(C)=O)C(=O)NNC(=O)c1cccn1C 864594644 YAKIDVHAOWUSHF-SECBINFHSA-N 266.301 -0.299 50 20 CBGD CN1C[C@H](NC(=O)[C@]2(C)C[C@H]2Br)C(=O)N1 907221753 XZLNKTAGCZMNAS-CCGCGBOQSA-N 276.134 -0.379 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1ccnc(F)c1 913730798 JQGVMNVZISNAAJ-UHFFFAOYSA-N 280.259 -0.396 50 20 CBGD CC(C)CC(=O)NNC(=O)CCS(C)(=O)=O 916739774 UXHYVWDRJLXSRQ-UHFFFAOYSA-N 250.320 -0.385 50 20 CBGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NNC(C)=O 920430418 RROUGUKEAWTFGN-SNVBAGLBSA-N 291.373 -0.252 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)[C@@H]1CSCC(=O)N1 929354648 KRNVEVNKFZGZCO-JTQLQIEISA-N 293.348 -0.012 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H](C)n2ccnc2)n[nH]1 1116410487 IYHQKXLMVYLOQB-QMMMGPOBSA-N 262.273 -0.063 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cccc(NC(C)=O)c1 1254936502 UGAUVOWWRNYCRY-UHFFFAOYSA-N 294.267 -0.029 50 20 CBGD O=C(CO)NNC(=O)Nc1ccnn1C[C@@H]1CCOC1 1255198773 AGAVAUOCVFNRKI-QMMMGPOBSA-N 283.288 -0.935 50 20 CBGD O=C(CO[C@@H]1CCOC1)NNC(=O)c1cccc(F)n1 1261775761 SHOSOYHVBABYDA-MRVPVSSYSA-N 283.259 -0.213 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccc(C#N)cc1 1318942544 QVTZFJJANMZMJO-UHFFFAOYSA-N 276.252 -0.438 50 20 CBGD C=CCNC(=S)NNC(=O)C1(O)CCOCC1 1322555470 OUMYNEHLMWNXNY-UHFFFAOYSA-N 259.331 -0.791 50 20 CBGD O=C(CCO)NN=Cc1cc2c(cc1O)OCO2 1323529117 DBPCVCFTBQNYCP-UHFFFAOYSA-N 252.226 -0.047 50 20 CBGD COCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1324142259 CMLOOKLONYCDHX-MRVPVSSYSA-N 250.320 -0.875 50 20 CBGD COC[C@@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@H]1C 1325975934 LYGJRXAXNKQBSQ-VGMNWLOBSA-N 259.306 -0.223 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1C[C@H]1c1cncn1C 1329979457 YBKAXMBZVBYNGS-NXEZZACHSA-N 296.327 -0.666 50 20 CBGD CN(CCN)C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br 1331119620 HFZFSONNPMGDNN-GMSGAONNSA-N 292.177 -0.307 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1nnnn1C 1521807926 WPQMBVRWWFLIAJ-RNJXMRFFSA-N 297.319 -0.974 50 20 CBGD CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)CCCN 1578018061 XPJSDABTYFGYKU-DTWKUNHWSA-N 271.317 -0.538 50 20 CBGD O=C(NCC1[C@@H]2CNC[C@@H]12)NNC(=O)C1CCOCC1 1580642075 NLTBBHATTYICOD-NXEZZACHSA-N 282.344 -0.791 50 20 CBGD O=C(NN=c1cc[nH]cc1Cl)c1cnnn1C1CNC1 1580740045 UJJKJSJGDLWZJA-UHFFFAOYSA-N 293.718 -0.350 50 20 CBGD CN1CCN(CC(=O)NNc2ncccc2C(=O)O)CC1 1593784656 FVSFQRDNJUGMBB-UHFFFAOYSA-N 293.327 -0.530 50 20 CBGD Cc1coc(CC(=O)O)c1C(=O)NNC(=O)CN(C)C 1600641700 SNOWEIUENIPUKY-UHFFFAOYSA-N 283.284 -0.462 50 20 CBGD Cc1ncsc1C(=O)NNC(=O)COCC(=O)O 1600760613 ZYOYZVKRSBDCTA-UHFFFAOYSA-N 273.270 -0.686 50 20 CBGD O=C(N[C@@H](CC1CC1)C(=O)O)c1ccc(B(O)O)cc1 1601409073 TVXNMPYWLPDDMM-NSHDSACASA-N 277.085 -0.651 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@@H](C(=O)O)C1)[C@H]1CCCO1 1601555881 LOROHCPYZCTPFB-GJMOJQLCSA-N 256.258 -0.576 50 20 CBGD O=C(O)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)c1ccc(B(O)O)cc1 1601790352 NZFORGJIQVHUNE-IJLUTSLNSA-N 289.096 -0.556 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=CCC(C)(C)C(=O)O 1609784621 CKSJRVXKXPHPPM-ZETCQYMHSA-N 293.345 -0.473 50 20 CBGD O=C(O)c1cnc(C(=O)NNc2ncc(F)cn2)cn1 1610861363 UHERTKVJEJJZOW-UHFFFAOYSA-N 278.203 -0.139 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)c2ccc(C#N)cc2)C1 174387376 FQEQHDLNQDQVTF-LBPRGKRZSA-N 288.307 -0.350 50 20 CBGD O=C(CO)NNC(=O)[C@H]1Cc2cc(F)ccc2O1 182752036 VNYDJSSJJPLPCR-SECBINFHSA-N 254.217 -0.731 50 20 CBGD Cc1ccc(F)c(OCC(=O)NNC(=O)CO)c1 182766064 TWFTYKACRHEQFF-UHFFFAOYSA-N 256.233 -0.347 50 20 CBGD CC(C)CC(=O)NNC(=O)N[C@H]1CCN(C)C1=O 265660330 AXBNNWNKRWOXCR-QMMMGPOBSA-N 256.306 -0.406 50 20 CBGD CCCNC(=O)CCC(=O)NNC(=O)c1cc(C)n[nH]1 269009142 GSHFRYILSLSWKG-UHFFFAOYSA-N 281.316 -0.214 50 20 CBGD CCNC(=O)N(C)NC(=O)CCCNC(=O)OC 272679312 NCAQIJFMOOGITO-UHFFFAOYSA-N 260.294 -0.185 50 20 CBGD Cn1nc(C(=O)NNC(=O)C(C)(C)O)cc1OC(F)F 277871594 CVOREEIFXLDTBX-UHFFFAOYSA-N 292.242 -0.447 50 20 CBGD CC[C@H]1CCCN1C(=O)C(=O)Nc1cccc(B(O)O)c1 584914405 WYUYVEHICWRSPS-LBPRGKRZSA-N 290.128 -0.294 50 20 CBGD COC[C@@H](C)N(C)C(=O)c1ccc(B(O)O)c(F)c1 584931989 LUQZIANNBUTELX-MRVPVSSYSA-N 269.081 -0.388 50 20 CBGD CC(C)(O)CSCCNC(=O)c1cccc(B(O)O)c1 584949348 REXNGRPJQQMMJR-UHFFFAOYSA-N 297.185 -0.400 50 20 CBGD C[C@H](CCCO)NC(=O)c1ccc(B(O)O)c(F)c1 584957137 DBKZPTMIFIQCSF-MRVPVSSYSA-N 269.081 -0.604 50 20 CBGD CC(C)[C@@H](CCO)NC(=O)c1ccc(B(O)O)cc1 584957373 GEWDNTPNLWQLNA-GFCCVEGCSA-N 265.118 -0.497 50 20 CBGD CC[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@H]1O 584968580 YSLKIVVMZYYLHZ-JOYOIKCWSA-N 263.102 -0.791 50 20 CBGD Cc1nnc(CCNC(=O)c2cccc(B(O)O)c2)s1 584992089 HCYNYSUZPITXNQ-UHFFFAOYSA-N 291.141 -0.501 50 20 CBGD Cc1nnc(CCNC(=O)c2ccc(B(O)O)cc2)s1 584992276 JKJNGCNXBXGISC-UHFFFAOYSA-N 291.141 -0.501 50 20 CBGD CCNC(=O)C(C)(C)CNCc1ccc(B(O)O)cc1F 585030739 YRTCKCRMPNBAPQ-UHFFFAOYSA-N 296.151 -0.243 50 20 CBGD O=C1CC[C@H](NCc2ccc(B(O)O)cc2)[C@H](C2CC2)N1 585040808 AXGHKRLGYTVVRB-ZFWWWQNUSA-N 288.156 -0.487 50 20 CBGD O=C(NCB(O)O)c1ccc(=O)n(-c2cccc(F)c2)c1 585060110 NFSKSJLTVNCMLC-UHFFFAOYSA-N 290.059 -0.282 50 20 CBGD O=C(COC[C@@H]1CCCO1)NNC(=O)NC1CC1 733256562 UDFDOZBJNOBSCN-VIFPVBQESA-N 257.290 -0.325 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)Sc1nc(N)n[nH]1 735413920 RFSQOPJCYOSUPX-SCSAIBSYSA-N 258.307 -0.575 50 20 CBGD C[C@@H](CCN(C)C)NC(=O)NNC(=O)c1cnn(C)c1 735580614 TYWJHGNGHBGYIF-VIFPVBQESA-N 282.348 -0.296 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H](NC(=O)O)C(C)C 736106201 TWHQMLJTXMOOTE-ZETCQYMHSA-N 274.346 -0.040 50 20 CBGD O=C(O)CC1CCN(CC(=O)NNC(=O)C2CC2)CC1 738564131 KPYOTKWRTRTZAF-UHFFFAOYSA-N 283.328 -0.270 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@H]1C[C@@H]1C(=O)O 739217688 ZPMPYNKOZVQDIJ-IMJSIDKUSA-N 254.164 -0.193 50 20 CBGD O=C(NNC(=O)[C@H]1Cc2ccccc21)C(=O)NC1CC1 740749364 WHWWFUBGSOGKGR-NSHDSACASA-N 273.292 -0.248 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)CNC(=O)C2CC2)n1 753449652 IJCUUTVUBGARMQ-UHFFFAOYSA-N 284.707 -0.319 50 20 CBGD CN(NC(=O)Cc1ccc(C(N)=O)cc1)C(N)=O 754280375 JLASMIOVRDQLKB-UHFFFAOYSA-N 250.258 -0.630 50 20 CBGD CC[C@@H](C)C(=O)NNS(=O)(=O)CCOCCOC 754749107 XGMGUFFWRPMBRC-SECBINFHSA-N 282.362 -0.354 50 20 CBGD CCOC(=O)[C@H]1CCC(=NNC(=O)C(N)=O)C[C@@H]1C 758093715 NBEQILTXOBVTNO-CBAPKCEASA-N 269.301 -0.057 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@]1(O)CCSC1 765541923 GLDBRCZHCYVFJR-LLVKDONJSA-N 269.326 -0.346 50 20 CBGD O=C(CO)NN=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 776781377 AAQDTMKVPANNBU-UHFFFAOYSA-N 281.224 -0.192 50 20 CBGD CC(=O)N[C@@H](CC(=O)NNc1cc(Cl)ccn1)C(N)=O 778448886 SMQXQDGBBFXMGE-QMMMGPOBSA-N 299.718 -0.442 50 20 CBGD CCCNC(=O)NNC(=O)c1ccn(CCOC)n1 784362263 OOGCABPUZPHUNC-UHFFFAOYSA-N 269.305 -0.117 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c[nH]c(C#N)c1 786899848 GBLAGHQFZTXLLQ-SSDOTTSWSA-N 278.268 -0.011 50 20 CBGD CCCC(=O)N1CCC[C@H](C(=O)NNC(=O)C(C)(C)O)C1 787944852 GQWZUVHSPNVGDG-JTQLQIEISA-N 299.371 -0.057 50 20 CBGD COC(=O)CNC(=O)NN=C1CC(=O)N2CCCC[C@H]12 799485644 SKNYFQMBTMHLPW-SECBINFHSA-N 282.300 -0.401 50 20 CBGD NS(=O)(=O)c1ccc(NC(=O)NNC(=O)C2CC2)cc1 804027262 BWAOFQSWCYNJOT-UHFFFAOYSA-N 298.324 -0.103 50 20 CBGD COC(=O)c1cn(CC(=O)NCCCSC#N)nn1 808025691 OPFNMMRFFBZIJG-UHFFFAOYSA-N 283.313 -0.215 50 20 CBGD CC[C@@H](CNC(=O)NNC(=O)c1cnn(C)c1)OC 811969351 WYNFLNKMKBRCHZ-VIFPVBQESA-N 269.305 -0.211 50 20 CBGD O=C(CCC(=O)N1CCOCC1)NNc1ncncc1F 817082793 LXKYTUMQDDRHDI-UHFFFAOYSA-N 297.290 -0.302 50 20 CBGD COc1ccnc(NNC(=O)[C@H]2CCNC2=O)n1 821481435 OMHUUIYDANYEFN-LURJTMIESA-N 251.246 -0.936 50 20 CBGD CCN(CCO)NC(=O)[C@H]1C[C@H]2C=C[C@H]1N(C(=O)OC)C2 823893746 VFNDPECBOGBLTH-GRYCIOLGSA-N 297.355 -0.025 50 20 CBGD CC(=NNC(=O)CO)c1cccc(-c2nn[nH]n2)c1 823948557 RWJIWMFNRFMBMV-UHFFFAOYSA-N 260.257 -0.301 50 20 CBGD COCCOCC(=O)NNc1ccc(-c2nn[nH]n2)cc1 826160332 OMPZTPQMCGTPIP-UHFFFAOYSA-N 292.299 -0.027 50 20 CBGD COc1cccc(NNC(=O)[C@@H]2CCNC2=O)n1 831882010 PHDMAHJGVUMADZ-SSDOTTSWSA-N 250.258 -0.331 50 20 CBGD O=C(NNC(=O)[C@@]1(O)CCOC1)NC1CCCCC1 840237602 NEMNKLWQXGRXBQ-GFCCVEGCSA-N 271.317 -0.199 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@]1(C)CCOC1 843657830 QHAGLTZNTFTCPY-YGOYTEALSA-N 256.302 -0.015 50 20 CBGD CN(NC(=O)Cn1cnc(C(N)=O)n1)C(=O)OC(C)(C)C 846253359 AZVCVPUMMZNNQN-UHFFFAOYSA-N 298.303 -0.725 50 20 CBGD COC1CCN(S(=O)(=O)NNC(=O)C2CCC2)CC1 849309061 ZSJFDXKUIMXBKV-UHFFFAOYSA-N 291.373 -0.237 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)C[C@H]2CC(=O)N2)cc1 854211953 UANVEBUIKCZBQB-SNVBAGLBSA-N 291.307 -0.200 50 20 CBGD CSSCCNC(=O)c1cnn(C[C@@H](O)CO)c1 854393668 IFQQCGFFHGMIBB-SECBINFHSA-N 291.398 -0.023 50 20 CBGD CNC(=S)N(C)NC(=O)CNC(=O)c1ccccc1 854929485 JUHOGWMCKANKKU-UHFFFAOYSA-N 280.353 -0.116 50 20 CBGD O=C(NNC(=S)NCC1CCC1)[C@]1(O)CCOC1 855092576 KFNCBDCJEDEZLV-NSHDSACASA-N 273.358 -0.567 50 20 CBGD COCCC1(C(=O)NNC(=O)c2cc[nH]n2)CC1 855357845 RMWFGWIXCPZUTM-UHFFFAOYSA-N 252.274 -0.013 50 20 CBGD O=C(NCCOCC1CC1)NNC(=O)c1cn[nH]c1 858205069 XRHBSISTUJGEIE-UHFFFAOYSA-N 267.289 -0.220 50 20 CBGD N#CC1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCCCC1 862453342 TYVRELGNKRRPFB-SECBINFHSA-N 278.312 -0.114 50 20 CBGD Cc1cc(=NNC(=O)[C@H](C)S(C)(=O)=O)cc[nH]1 862510673 POELDQJUFMERJT-QMMMGPOBSA-N 257.315 -0.312 50 20 CBGD CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)CS(C)(=O)=O 862992218 CHMAKBNBEHCXBC-MRVPVSSYSA-N 291.373 -0.949 50 20 CBGD COc1cccc(C(=O)NNC(=O)CS(C)(=O)=O)c1 863457917 PSLUFHJAZVRHHY-UHFFFAOYSA-N 286.309 -0.499 50 20 CBGD Cc1cc(C(=O)NNC(=O)CS(C)(=O)=O)ccc1O 863464012 CWPLIDMEGAQYRE-UHFFFAOYSA-N 286.309 -0.494 50 20 CBGD CN(C[C@H](O)C1CC1)C(=O)c1cc(B(O)O)ccc1F 863876952 NQKVGUFHRSDXMF-LBPRGKRZSA-N 281.092 -0.652 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@H]2CCN(C)C2)n[nH]1 869012437 RBNKBFPHBLBDRV-VIFPVBQESA-N 265.317 -0.640 50 20 CBGD CN([C@@H]1CCNC1=O)S(=O)(=O)CCCCl 882022144 AYZMGEXOUAAEEO-SSDOTTSWSA-N 254.739 -0.235 50 20 CBGD C#CCCCC(=O)NNC(=O)C(C)(C)NC(C)=O 887142951 GGBGDCKATJCIOO-UHFFFAOYSA-N 253.302 -0.148 50 20 CBGD OB(O)c1ccccc1CNCCO[C@H]1CCOC1 897200512 WTSGBZIHPKJCDZ-LBPRGKRZSA-N 265.118 -0.739 50 20 CBGD C[C@H](O)CN(C)NC(=O)Cc1ccc(-n2cnnn2)cc1 910172396 BGJWNXBDPHICGM-JTQLQIEISA-N 290.327 -0.451 50 20 CBGD C/C(=C(/F)C(=O)NNC(=O)CS(C)(=O)=O)C1CC1 913240774 FMQSMHDZOMBTOD-TWGQIWQCSA-N 278.305 -0.168 50 20 CBGD Cc1cc(C(=O)NNc2ccc(C(N)=O)nn2)n[nH]1 1116253144 PLXXTYSJHQGYNZ-UHFFFAOYSA-N 261.245 -0.636 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc2nncn2c1 1116560796 XDKQREWDSQZZJW-UHFFFAOYSA-N 285.267 -0.544 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1cccnc1 1116627054 JRWWIQMMNMHPRX-UHFFFAOYSA-N 252.230 -0.203 50 20 CBGD CCOc1cc(C(=O)NNC(=O)NCCCOC)[nH]n1 1118572807 VVECRXVZXCAHSB-UHFFFAOYSA-N 285.304 -0.211 50 20 CBGD CNC(=S)N(C)NC(=O)C(=O)c1c(C)nn(C)c1C 1118712806 GKEWHIRKGRNKML-UHFFFAOYSA-N 283.357 -0.313 50 20 CBGD Cc1nn(C)c(=O)c(C(=O)NN(C)C(N)=O)c1C 1319729949 UPASTSHAOFBBLI-UHFFFAOYSA-N 253.262 -0.948 50 20 CBGD CS(=O)(=O)c1cccc(NNC(=O)Cn2cncn2)c1 1319848143 DZJLOMIEVCVGHP-UHFFFAOYSA-N 295.324 -0.175 50 20 CBGD CN(CC(=O)NNc1cccnn1)[C@H]1CCS(=O)(=O)C1 1321149784 WHGUQUYQANTUGH-VIFPVBQESA-N 299.356 -0.961 50 20 CBGD CN(C)C(=O)CNC(=S)NNC(=O)c1cccnc1 1323882231 GQXNLCHMHSNHOG-UHFFFAOYSA-N 281.341 -0.721 50 20 CBGD CN(C)N(C(=O)c1ccc(O)nc1)[C@@H]1CCS(=O)(=O)C1 1324142243 CDZRYNMOHZTBIV-SNVBAGLBSA-N 299.352 -0.107 50 20 CBGD Cc1nc(C(=O)NNC(=O)C2CCNCC2)no1 1328712927 XJFVRAYFEJPWOH-UHFFFAOYSA-N 253.262 -0.861 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1cn(C)nn1 1330582067 VIPFEDYLSADFHW-MRVPVSSYSA-N 268.321 -0.807 50 20 CBGD Cc1cnn(C)c1C(=O)NNC(=O)C1CCOCC1 1331503082 YLSZOJLRGYQBQB-UHFFFAOYSA-N 266.301 -0.084 50 20 CBGD C[C@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)C(=O)NC1CC1 1332887898 BENQLSCLOWRNDD-BDAKNGLRSA-N 298.343 -0.590 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1337035886 PFDIUEUOXUMDFT-XHNCKOQMSA-N 257.290 -0.612 50 20 CBGD NS(=O)(=O)c1ccc(C(=O)NNc2cccnn2)s1 1337694353 MNONSRDTKWKSDJ-UHFFFAOYSA-N 299.337 -0.058 50 20 CBGD O=C(CCc1ccccn1)NNC(=O)[C@H]1CCC(=O)N1 1348479171 QXUJAJIABHPJCG-SNVBAGLBSA-N 276.296 -0.560 50 20 CBGD Cc1noc(C)c1[C@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1351627911 LLWDRPLQOKBZGY-IMTBSYHQSA-N 294.311 -0.179 50 20 CBGD CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)c1cn[nH]c1 1517991332 DXUVXNASRZRWTK-RKDXNWHRSA-N 252.274 -0.014 50 20 CBGD CNC[C@@H](C)CNC(=O)NNC(=O)c1ccc(=O)n(C)c1 1578625248 KWOUTVGYYFELTB-SECBINFHSA-N 295.343 -0.815 50 20 CBGD NCc1ncc(C(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)s1 1580354627 AIOQBDIQIJLALR-GJMOJQLCSA-N 296.352 -0.070 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H]1C[C@H]1C(=O)O 1594644081 LCDCDNAQENPBQX-JQCXWYLXSA-N 285.300 -0.538 50 20 CBGD O=C(NNC(=O)[C@]1(C(=O)O)CCCO1)NC1CC1 1594782986 QFJGRMIYKSLYRQ-JTQLQIEISA-N 257.246 -0.887 50 20 CBGD O=C(O)Cn1ccc(NC(=O)NNC(=O)C2CC2)n1 1595151588 FQCRZCNPHFOASO-UHFFFAOYSA-N 267.245 -0.470 50 20 CBGD COc1cc(C)ccc1NC(=O)C(=O)NNC(=O)C(=O)O 1599393276 JMLJDJLKEAYOJF-UHFFFAOYSA-N 295.251 -0.826 50 20 CBGD O=C(O)COCC(=O)NNC(=O)CCc1ccco1 1602078202 JFKUBACWKGAYJR-UHFFFAOYSA-N 270.241 -0.539 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)NCCOCC(=O)O 1603322797 KDGWLMSGJGFDBO-UHFFFAOYSA-N 275.305 -0.146 50 20 CBGD CC(C)(CNC(=O)NNC(=O)C(=O)O)c1ccncc1 1609676161 QFZRGQJPBIZAIA-UHFFFAOYSA-N 280.284 -0.226 50 20 CBGD CCOC(=O)NCCC(=O)NNC(=O)c1ccccn1 46660128 FGUWJFYCJKRTGX-UHFFFAOYSA-N 280.284 -0.021 50 20 CBGD O=C1CCCC[C@@H](C(=O)NNC(=O)c2ccc[nH]2)N1 193706940 ORVMQFLAYDWWKD-VIFPVBQESA-N 264.285 -0.166 50 20 CBGD O=C(COCc1ccccc1)NNC(=O)[C@H]1COCCO1 265580829 DCVAHUISVJIERX-GFCCVEGCSA-N 294.307 -0.234 50 20 CBGD CNC(=O)NCCC(=O)NNC(=O)c1ccccn1 292356679 QOFUAKSADFPHQW-UHFFFAOYSA-N 265.273 -0.838 50 20 CBGD COCCN(C)NC(=O)c1ccc2[nH]c(=O)[nH]c2n1 294549973 WNEWECOKBBFUID-UHFFFAOYSA-N 265.273 -0.526 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@H]2CC(=O)N(C)C2)O1 298049192 URCDFVYAFUVRQG-CIUDSAMLSA-N 284.316 -0.885 50 20 CBGD C[C@@H]1CC(=O)NCCN1S(=O)(=O)CBr 371699732 JNXNAZLJJLMNIK-ZCFIWIBFSA-N 285.163 -0.121 50 20 CBGD CC[C@H](COC)NC(=O)c1cc(B(O)O)ccc1F 584950713 SLNHIHFCUIEJSB-SECBINFHSA-N 269.081 -0.340 50 20 CBGD C[C@]1(CNC(=O)c2ccc(B(O)O)c(F)c2)CCCO1 584958319 QUYPZOPTSSKJRF-CYBMUJFWSA-N 281.092 -0.196 50 20 CBGD C[C@H]1CC[C@H](CO)CN1C(=O)c1cc(B(O)O)ccc1F 584966908 CKIYLFPHQRSQJK-UWVGGRQHSA-N 295.119 -0.262 50 20 CBGD C[C@@H](O)[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584972143 OCMAORKGSQGTSB-PSASIEDQSA-N 281.092 -0.652 50 20 CBGD OB(O)c1cccc(CNC[C@]2(O)CCSC2)c1 585026736 RAGSIQUIZXSJCE-GFCCVEGCSA-N 267.159 -0.676 50 20 CBGD OB(O)c1ccc(CN[C@@H]2C[C@@H]3OCCC[C@H]32)o1 585036146 AQBXFIMTWLOFIE-AXFHLTTASA-N 251.091 -0.384 50 20 CBGD O=C(NCB(O)O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O 585061761 GFKGPIWFJGUQPK-MRVPVSSYSA-N 298.054 -0.554 50 20 CBGD NS(=O)(=O)[C@H]1CCN(S(=O)(=O)CCCCl)C1 707498158 RZRCXTVGYMSJCZ-ZETCQYMHSA-N 290.794 -0.692 50 20 CBGD CN1CCN(CC(=O)NNC(=O)c2ccccn2)CC1 732257553 SMSFTPNHPRMYCE-UHFFFAOYSA-N 277.328 -0.910 50 20 CBGD Cc1nn(C)cc1C=NNC(=O)CN1CCCC1=O 755587442 OCMBPZPETUDHIA-UHFFFAOYSA-N 263.301 -0.199 50 20 CBGD O=C(NNC(=O)C(F)(F)C1(O)CCC1)N1CCOCC1 767350608 MNSPKBBHGZSBBO-UHFFFAOYSA-N 293.270 -0.390 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)N1CCCC1 770718554 DAQDEJXREQIKAD-BDAKNGLRSA-N 269.301 -0.819 50 20 CBGD C[C@@H](O)[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 780359441 MKVLPKCBVDUTTK-PSASIEDQSA-N 255.318 -0.754 50 20 CBGD COc1cccc(NNC(=O)C2(C(N)=O)CC2)n1 780771847 DEXCINDGTQXUHC-UHFFFAOYSA-N 250.258 -0.201 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN[C@@H]1CCCC[C@H]1C(N)=O 782540615 XEYDVOVYMWWRBB-NXEZZACHSA-N 298.387 -0.186 50 20 CBGD CC(C)[C@@H](F)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 784780557 BPUNFGREAKECRS-NKWVEPMBSA-N 283.325 -0.934 50 20 CBGD CCC(=O)NNS(=O)(=O)c1ccc(OC)nc1 795281152 QZLFPOZLQHYCFE-UHFFFAOYSA-N 259.287 -0.190 50 20 CBGD Cn1nncc1C(=O)NNC(=O)c1ccccc1O 799101180 LNPJYCXBHICBJV-UHFFFAOYSA-N 261.241 -0.405 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C[S@](=O)CC 803476808 LPGCGXSHNRNAGV-ULCDLSAGSA-N 278.330 -0.756 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 818420245 YZXJQJKZYYWZOG-SNVBAGLBSA-N 277.324 -0.052 50 20 CBGD COC(=O)[C@H]1C[C@H](NC(=O)NNC(=O)c2cnn(C)c2)C1 824178021 YWNRRDFDNYXJAZ-XWEPSHTISA-N 295.299 -0.684 50 20 CBGD CC1(CCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 827016475 RXYBBPOSNTUPTE-QMMMGPOBSA-N 253.302 -0.007 50 20 CBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)[C@H]1CCCCO1 841437967 GURQWMVUVQMCGS-RNJXMRFFSA-N 271.273 -0.800 50 20 CBGD CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843643544 IKNRGNDSCNYREO-YUSALJHKSA-N 297.355 -0.040 50 20 CBGD NS(=O)(=O)C1(C(=O)NNc2cccc(Cl)n2)CC1 846214145 SUUNPXRNKWDSKJ-UHFFFAOYSA-N 290.732 -0.001 50 20 CBGD CO[C@H](C=NNC(=O)[C@H](C)NS(C)(=O)=O)C1CC1 853303914 TXEXGRIYJTXISV-IONNQARKSA-N 277.346 -0.549 50 20 CBGD COCCN(C)NC(=O)Cc1nnn(C(C)(C)C)n1 854409651 JTZVGHHLHWCAGC-UHFFFAOYSA-N 270.337 -0.420 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@]1(O)CCOC1)C1CC1 855094351 ARMFEGWPLJRPCA-HQJQHLMTSA-N 273.358 -0.568 50 20 CBGD O=C(CCOCC(F)F)NNC(=O)c1cc[nH]n1 855356221 JDCABHLIKNWQOI-UHFFFAOYSA-N 262.216 -0.158 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H](CO)C2CCCC2)N1 858700416 LJLBRHPNWJKXIN-NXEZZACHSA-N 298.343 -0.854 50 20 CBGD C=CC(=O)N(C)CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 862096336 XEQPLANCPRZWBE-DTWKUNHWSA-N 269.301 -0.797 50 20 CBGD CCCN1CCC[C@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862453742 NBQDBCOMLSWLEV-ZJUUUORDSA-N 282.344 -0.713 50 20 CBGD CCCNC(=O)CCC(=O)NNC(=O)c1cn[nH]c1 862472399 YUIFOPPAEFRTAI-UHFFFAOYSA-N 267.289 -0.523 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C=C/CN1CCOCC1 869067768 HIZLOOLZLICUIP-QVWGBTSJSA-N 297.355 -0.553 50 20 CBGD CCN1CC[C@@H](NC(=O)NN(C)C(=O)OC)C1=O 875570758 YRLYWVHBLKWCFG-SSDOTTSWSA-N 258.278 -0.480 50 20 CBGD CC(C)(C(=O)NNC(=O)c1cccnn1)N1CCOCC1 882057847 AXRUONJTEOMPSN-UHFFFAOYSA-N 293.327 -0.652 50 20 CBGD O=C(NC[C@H]1C=CCC1)NNC(=O)C(=O)NC1CC1 883832944 OTDCYAOSRQYEGB-QMMMGPOBSA-N 266.301 -0.438 50 20 CBGD C[C@@]1(C(=O)NCC(=O)NCCO)C[C@@H]1Br 907009801 QRABPOLDACPMRQ-IMTBSYHQSA-N 279.134 -0.615 50 20 CBGD O=C1CN(CC(=O)NNc2ncc(F)cc2F)CCN1 909545500 JAJAUBJCUXCXMB-UHFFFAOYSA-N 285.254 -0.765 50 20 CBGD O=C(CN1CCC(=O)NC1=O)NNc1ccccn1 1116496906 YCZNWXVQUCSJCW-UHFFFAOYSA-N 263.257 -0.533 50 20 CBGD COC(=O)C(=O)NN=C1CC(=O)N2CCCC[C@@H]12 1116920745 IPFAEZVZUMINAR-QMMMGPOBSA-N 253.258 -0.584 50 20 CBGD Cn1nncc1NNC(=O)CCn1cc([N+](=O)[O-])cn1 1117762795 VJGMNEMHXGSWIT-UHFFFAOYSA-N 280.248 -0.547 50 20 CBGD COCCN(C)NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1120649004 QBHCJKMRSRRLGX-GARJFASQSA-N 258.318 -0.353 50 20 CBGD O=C(NNC(=O)N1C[C@@H]2[C@H](C1)C2(F)F)c1cn[nH]c1 1261792249 QYEUSGFYBYXSHG-KNVOCYPGSA-N 271.227 -0.039 50 20 CBGD O=S(=O)(N=S1(=O)CCCC1)N1CC[C@H](B(O)O)C1 1261843713 PEFZNBJNGRLBGC-QMMMGPOBSA-N 296.179 -0.958 50 20 CBGD CC(C)NC(=O)NNC(=O)c1c[nH]c(C(N)=O)c1 1322100665 QYXKGSNGVDVKJN-UHFFFAOYSA-N 253.262 -0.534 50 20 CBGD COC(=O)NNC(=O)Cc1c(C)nc(C)nc1O 1323972135 UBTDHWBNNDOOOD-UHFFFAOYSA-N 254.246 -0.271 50 20 CBGD Cc1csc2ncc(C(=O)NNc3nc[nH]n3)c(=O)n12 1324275560 GQIVRAUSZMRSHS-UHFFFAOYSA-N 291.296 -0.061 50 20 CBGD CCn1nncc1C(=O)NNC(=O)c1cnn(C)c1 1327836041 ANPKTQQSMBVSFW-UHFFFAOYSA-N 263.261 -0.894 50 20 CBGD Cn1nncc1NNC(=O)[C@@H]1CCc2nccn2C1 1329009986 XHHVQBRFBFNNON-MRVPVSSYSA-N 261.289 -0.283 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)C2CCOCC2)CO1 1333609438 ZDMCZDKCUJCKIU-PSASIEDQSA-N 271.317 -0.079 50 20 CBGD Cc1cnc(C(=O)NNc2ccc(C(N)=O)nn2)cn1 1340252637 WMTUVUSMGJLBKC-UHFFFAOYSA-N 273.256 -0.569 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cncnc1 1342481487 LZEMHFZJVSZMHR-UHFFFAOYSA-N 279.300 -0.458 50 20 CBGD C[C@@H]1COCC1=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1 1550191838 IKTRBKPPZQOWHH-CKYFFXLPSA-N 267.329 -0.012 50 20 CBGD CC(C)Oc1ncccc1C(=O)NNC(=O)[C@@H]1CCN1 1575818097 HQEHNSFTBGDQSW-JTQLQIEISA-N 278.312 -0.008 50 20 CBGD COc1ccccc1SCC(=O)NNC(=O)[C@@H](O)CN 1579314973 BBHPFFKRCNODKI-QMMMGPOBSA-N 299.352 -0.746 50 20 CBGD CC(C)CC(=O)NNC(=O)CN1CCC[C@@H](C(=O)O)C1=O 1591111854 VISDZVPJUZAZRL-SECBINFHSA-N 299.327 -0.497 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNC(=O)c1cccc(Cl)n1 1593910808 AWRZZAQBULFAQQ-ZETCQYMHSA-N 287.659 -0.404 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)N2C[C@@H](C)[C@H](C(=O)O)C2)O1 1599906602 FQDAJBQCFFJGLE-RGOKHQFPSA-N 299.327 -0.053 50 20 CBGD CCCC(=O)NNC(=O)CNC(=O)c1cccnc1 122287010 VRZSRZQLAUJXTR-UHFFFAOYSA-N 264.285 -0.241 50 20 CBGD N#C[C@H]1COCCN1CC(=O)NNC(=O)c1ccccc1 182679042 PHEDYYHAYMKBHP-LBPRGKRZSA-N 288.307 -0.328 50 20 CBGD O=C(COc1ccc(F)cc1)NNC(=O)[C@H]1CCC(=O)N1 264394558 MWQBLIKCRTZQFQ-SNVBAGLBSA-N 295.270 -0.370 50 20 CBGD CN(CC(=O)NNc1nc2ccccn2n1)S(C)(=O)=O 276830618 KSGXGYYLIDXLGS-UHFFFAOYSA-N 298.328 -0.936 50 20 CBGD CC[C@](C)(OC)C(=O)NNC(=O)c1cnn(C)c1 280703760 KPFFIHNPTXXIRK-NSHDSACASA-N 254.290 -0.004 50 20 CBGD COC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccccn2)O1 289705562 FTWWJUSFYOCWAZ-VHSXEESVSA-N 293.279 -0.437 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@H](C)CC(=O)N2)[nH]n1 294632613 QUJIABZSINJLFB-XPUUQOCRSA-N 279.300 -0.606 50 20 CBGD CCOC(=O)NNS(=O)(=O)CCOC(C)C 491968034 KZHXNAHKUHRZFL-UHFFFAOYSA-N 254.308 -0.008 50 20 CBGD COc1ncc(/C=C/C(=O)NNC(=O)C(C)(C)O)cn1 493063549 QZQGQUGUYPCMFN-SNAWJCMRSA-N 280.284 -0.583 50 20 CBGD COC(=O)NCCC(=O)NNC(=O)N=c1cc[nH]cc1 496964199 UILLMQUHXMUCRV-UHFFFAOYSA-N 281.272 -0.598 50 20 CBGD O=C(COc1ccc(B(O)O)cc1)NC[C@H]1CCCO1 584909764 QGIFACQFKOVVLR-GFCCVEGCSA-N 279.101 -0.960 50 20 CBGD C[C@@H]1CCCN1CC(=O)Nc1cccc(B(O)O)c1 584913069 ZDVRUBGLKFRDRI-SNVBAGLBSA-N 262.118 -0.211 50 20 CBGD O=C1CCCC[C@@H](C(=O)Nc2cccc(B(O)O)c2)N1 584913792 JZHRRBMROPKCMH-NSHDSACASA-N 276.101 -0.636 50 20 CBGD CCCCOCCNC(=O)c1ccc(B(O)O)cc1 584938817 IFMZBFKOMWAAJJ-UHFFFAOYSA-N 265.118 -0.087 50 20 CBGD C[C@H]1[C@H](C)N(C(=O)c2ccc(B(O)O)cc2)CCN1C 584970953 WCOFCADNIQMUAF-QWRGUYRKSA-N 276.145 -0.469 50 20 CBGD CN1CC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@H]21 584971267 NHOCSXRGKUZYNV-SMDDNHRTSA-N 288.156 -0.467 50 20 CBGD CC[C@@]1(CO)CCCN(C(=O)c2cccc(B(O)O)c2)C1 584973284 FPYJBIBFDJNKGQ-OAHLLOKOSA-N 291.156 -0.009 50 20 CBGD CN1CC2(CCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 584981220 AFLVARPYYUFWSI-UHFFFAOYSA-N 274.129 -0.856 50 20 CBGD COC[C@@H]1[C@H]2CN(C(=O)c3ccc(B(O)O)cc3)C[C@H]21 584987597 VYKXYQPNSUFUEL-ITGUQSILSA-N 275.113 -0.669 50 20 CBGD O=C(NCC1[C@H]2COC[C@H]12)c1ccc(B(O)O)c(F)c1 584989066 KXNOUACGDQHFCT-NXEZZACHSA-N 279.076 -0.872 50 20 CBGD CC(C)(C)N1CC[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1 585008364 NDVHWBUXSDFFRW-CYBMUJFWSA-N 290.172 -0.031 50 20 CBGD C[S@@](=O)CCCNCc1cccc(B(O)O)c1 585028921 PHKFDMXWTWODFZ-QGZVFWFLSA-N 255.148 -0.775 50 20 CBGD CNC(=O)[C@@H](NCc1ccc(B(O)O)cc1F)C(C)C 585029870 KKHNYUXUEDTXNG-LBPRGKRZSA-N 282.124 -0.634 50 20 CBGD C[C@H](CO)CCCNCc1ccccc1B(O)O 585033884 HNAMYGZRTOVHAF-NSHDSACASA-N 251.135 -0.135 50 20 CBGD CC(C)(C)N1CC[C@H]1CNCc1ccc(B(O)O)o1 585045789 MAXFIDZXBCROBI-JTQLQIEISA-N 266.150 -0.078 50 20 CBGD O=C(NCB(O)O)c1sccc1S(=O)(=O)C(F)F 585059723 YDUAQIBLEVAONM-UHFFFAOYSA-N 299.085 -0.514 50 20 CBGD COc1ncc(C(=O)NNC(=O)c2ccc[nH]2)cn1 733949783 XDHSOQFFPNUREM-UHFFFAOYSA-N 261.241 -0.112 50 20 CBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)C(C)C)c[nH]1 743251708 VEXWNBCSNNPRIK-UHFFFAOYSA-N 289.313 -0.233 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 749582101 JQCJFCBQIAWBSM-SECBINFHSA-N 268.317 -0.405 50 20 CBGD CC1(CNC(=O)NNC(=O)C(=O)N2CCCC2)CC1 753023309 NCHIEPRIZBNCGO-UHFFFAOYSA-N 268.317 -0.261 50 20 CBGD COCCCOCC(=O)NNC(=O)c1c[nH]nc1C 775725579 QCVLWLXGJLATRD-UHFFFAOYSA-N 270.289 -0.468 50 20 CBGD CC[C@H](C)NC(=S)NNC(=O)NCC(=O)OC 779719916 FNFUIJLIYZGMSB-LURJTMIESA-N 262.335 -0.364 50 20 CBGD C[C@@H]1CSCC1=NNC(=O)[C@@H](C)NS(C)(=O)=O 794905218 SHMLEFCHERUZAU-RNFRBKRXSA-N 279.387 -0.221 50 20 CBGD CNC(=O)NN=C(C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 811639498 BLKRIFLIUABCQH-UHFFFAOYSA-N 275.268 -0.131 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C[C@@H]1CCCOC1 814835729 ZWEYKMOFVYPOSI-IUCAKERBSA-N 277.346 -0.547 50 20 CBGD O=C(CNC(=O)c1ccccc1)NNc1nc[nH]n1 816631906 LJBAKTDWZNUKHQ-UHFFFAOYSA-N 260.257 -0.322 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCCOC1 818390678 KPVRDESIMPTHRX-LPEHRKFASA-N 256.302 -0.015 50 20 CBGD O=C(CC1CC1)NNC(=O)CN1CCCNC1=O 819118308 QJONCPRKIJMFEJ-UHFFFAOYSA-N 254.290 -0.651 50 20 CBGD C[C@@H](Cc1cnn(C)c1)C(=O)NN(C)[C@H](C)CO 823917607 LEQNFDVECHAWLU-VHSXEESVSA-N 254.334 -0.058 50 20 CBGD CCO/C=C(/C#N)C(=O)N(C)CC(=O)N1CCN(C)CC1 825298612 WKODKIOCFFNAEQ-QXMHVHEDSA-N 294.355 -0.337 50 20 CBGD CCOC(=O)NN=C(C)c1cn(CC(=O)O)nn1 829866176 QMVFHVJDXXCCQS-UHFFFAOYSA-N 255.234 -0.167 50 20 CBGD COC(=O)C12CC(C(=O)NNC(=O)c3ncccn3)(C1)C2 843606511 DKDLMOWFGFARCT-UHFFFAOYSA-N 290.279 -0.419 50 20 CBGD CC(C)N(C)CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843971599 CTNVVFOCFRQHHO-ZJUUUORDSA-N 257.334 -0.101 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)c2cccc(F)n2)CC1=O 856421577 BSCIMIQLPDLDTK-MRVPVSSYSA-N 294.286 -0.150 50 20 CBGD C[C@H](Cc1ccco1)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858134611 FDWGIDZNLXIIJG-SCZZXKLOSA-N 294.311 -0.180 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CC23CCCC3)N1 862454756 AELIHAVQBMKKMU-IUCAKERBSA-N 265.313 -0.007 50 20 CBGD CC[C@H](C)[C@H](OC)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862458211 AJDXDGUHZXPHRN-XKSSXDPKSA-N 271.317 -0.527 50 20 CBGD O=C(C=C1CCSCC1)NNC(=O)[C@H]1CCC(=O)N1 862461770 RLRNMSOQSUIJEB-SECBINFHSA-N 283.353 -0.134 50 20 CBGD CCn1cc(C(=O)NNC(=O)CN(C)C)c(C)n1 863865164 LVJCYRHXBGXQIG-UHFFFAOYSA-N 253.306 -0.466 50 20 CBGD COCCOCC(=O)NNC(=O)c1cc(F)ccc1O 869907454 MGSZZMVKSZBOLA-UHFFFAOYSA-N 286.259 -0.045 50 20 CBGD CN1CCCC[C@H](C(=O)NNC(=O)N2CCOCC2)C1=O 874248348 PBWJGNRUSLREMO-SNVBAGLBSA-N 298.343 -0.682 50 20 CBGD C[C@H](Cc1cnccn1)NCc1ccc(B(O)O)cc1 876976550 PPDNUMPZKYVOAA-LLVKDONJSA-N 271.129 -0.123 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCC[C@@H](CF)C2)N1 883737909 MWKPAHNTYOKEOE-IUCAKERBSA-N 286.307 -0.313 50 20 CBGD CC[C@H](CN1CCOCC1)NCc1ccccc1B(O)O 896619116 TYGWPXFKSRXBRN-CQSZACIVSA-N 292.188 -0.433 50 20 CBGD C[C@@H]1CCCN1CCNC(=O)NNC(=O)c1cnn(C)c1 897482297 PJNXDNSENZBFLJ-SNVBAGLBSA-N 294.359 -0.152 50 20 CBGD CO[C@@]1(C(=O)NN=c2cc[nH]c(C)c2)CCS(=O)(=O)C1 899127018 ARDKKOVMYKYMMW-LBPRGKRZSA-N 299.352 -0.541 50 20 CBGD C[C@]1(C(=O)N2CCO[C@H](C(N)=O)C2)C[C@H]1Br 906469107 YJVIUNZADTWHKN-PJKMHFRUSA-N 291.145 -0.127 50 20 CBGD CS(=O)(=O)N1CC(C(=O)NCCCSC#N)C1 908032889 XPOBZULECUYFBU-UHFFFAOYSA-N 277.371 -0.402 50 20 CBGD CO[C@@H]1CCC[C@H](C(=O)NNC(=O)CN2CCCC2=O)C1 913733181 YOADMJTUOLQBNO-WDEREUQCSA-N 297.355 -0.039 50 20 CBGD O=C(COc1ccccc1)NNC(=O)CN1CCCC1=O 920826257 KCCJKVCDVQPLEK-UHFFFAOYSA-N 291.307 -0.165 50 20 CBGD CCCNC(=O)NNC(=O)[C@]12CCC(=O)N1CCS2 921040815 GZOGSOGCGQVMDP-LLVKDONJSA-N 286.357 -0.208 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](C2OCCO2)C1 932002109 DEGDZBQWVMMOPV-UWVGGRQHSA-N 285.344 -0.373 50 20 CBGD CCCn1cc(NC(=O)C(=O)NNC(=O)C2CC2)cn1 1116598652 PONZILAFRSKRFO-UHFFFAOYSA-N 279.300 -0.211 50 20 CBGD C[C@H](NC(=O)NNc1ncccn1)[C@H]1CN(C)CCN1C 1123794876 OGMZBQZAGGTCDJ-WDEREUQCSA-N 293.375 -0.263 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCNC(=O)C2)cc1 1319468533 CHECXHJGWUGEEB-JTQLQIEISA-N 291.307 -0.018 50 20 CBGD NC(=O)c1cccc(C(=O)NNC(=O)NCC2CC2)n1 1320246413 HRMNVLYYGIABPL-UHFFFAOYSA-N 277.284 -0.466 50 20 CBGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNC(=O)C1CC1 1321574322 VHUJIRHXPLGNOM-UHFFFAOYSA-N 289.295 -0.569 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@]2(F)CCOC2)cn1 1324090566 BHOKIXAIEFTUCA-JTQLQIEISA-N 256.237 -0.690 50 20 CBGD O=C(Cc1nc2ncccn2n1)NNC(=O)CC1CC1 1325073873 SCFXDVSUKSCANY-UHFFFAOYSA-N 274.284 -0.386 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc(O)nn1 1325252011 GCFDMGNFSRMIGR-UHFFFAOYSA-N 274.240 -0.534 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cnccc1OC 1325553048 FMTIYTXYRZCTFQ-UHFFFAOYSA-N 268.229 -0.584 50 20 CBGD Cn1cc(C=O)cc1C(=O)N1CC[C@H](B(O)O)C1 1330311913 FXNQHCYQELKMBJ-VIFPVBQESA-N 250.063 -0.474 50 20 CBGD O=C(O)c1cccnc1NNC(=O)[C@H](O)C1CC1 1574820639 UJRQEIZWSDVCOO-MRVPVSSYSA-N 251.242 -0.006 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](C(=O)O)[C@H]1C 1594712700 ZICOVAQHHNORER-VGMNWLOBSA-N 271.317 -0.273 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@@H](C)C(=O)O 1603183728 AHCHLTPEKTVMIE-GJMOJQLCSA-N 273.289 -0.538 50 20 CBGD COC(=O)NNC(=O)c1cc(-c2nn[nH]n2)[nH]c1C 1604951183 OVANMFNPRIRGNV-UHFFFAOYSA-N 265.233 -0.496 50 20 CBGD N#Cc1ccc(OCC(=O)NNC(=O)CC(=O)O)cc1 1608210621 TWFDHNMMPJJIRR-UHFFFAOYSA-N 277.236 -0.441 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 7436693 SHLAWGFCYDBSAC-LLVKDONJSA-N 291.307 -0.338 50 20 CBGD CNC(=O)C1(C(=O)NNc2nccc(OC)n2)CC1 264213260 WMETZUYEIFXAGH-UHFFFAOYSA-N 265.273 -0.546 50 20 CBGD CCNC(=O)N(C)NC(=O)CCn1c(C)cc(O)cc1=O 276174662 HLGAXTRZPYRYJL-UHFFFAOYSA-N 296.327 -0.055 50 20 CBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)C(C)(C)O 276179072 CEZITXJWRTWXST-UHFFFAOYSA-N 289.332 -0.181 50 20 CBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNC(=O)C1CC1 279687010 FLCGKFSUWHUIEV-CQSZACIVSA-N 293.323 -0.535 50 20 CBGD COC(=O)NC(C)(C)C(=O)NNC(=O)Cc1ccncc1 493055413 VJUABDCHTKQUGW-UHFFFAOYSA-N 294.311 -0.094 50 20 CBGD CSCCCNC(=O)c1ccc(B(O)O)cc1 584948025 HOTUXRRJPCWKGD-UHFFFAOYSA-N 253.132 -0.151 50 20 CBGD O=C(NCC1(O)CCC1)c1ccc(B(O)O)c(F)c1 584950093 PIDYPMCUEZNMPT-UHFFFAOYSA-N 267.065 -0.850 50 20 CBGD C[C@@H](O)C[C@@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 584965585 QBIIQXHISCMSQC-MFKMUULPSA-N 277.129 -0.258 50 20 CBGD C[C@@H](CN(C)C)NC(=O)c1cc(B(O)O)ccc1F 584990541 YIKLAIAKNDMGDP-QMMMGPOBSA-N 268.097 -0.815 50 20 CBGD C[C@@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)c2nccn21 584997246 ZFVJCMVOEPPBGB-SKDRFNHKSA-N 285.112 -0.001 50 20 CBGD C[C@@H]1SCC[C@@H]1NC(=O)c1ccc(B(O)O)cc1 585003578 ULHPPZLCIDEBQL-KWQFWETISA-N 265.143 -0.010 50 20 CBGD C[C@H](CNCc1ccc(B(O)O)o1)N(C)C1CC1 585024073 PUNMDHFANZZYCT-SECBINFHSA-N 252.123 -0.468 50 20 CBGD C[C@@H](CCO)CNCc1ccc(B(O)O)cc1F 585027025 NHSRFCRITUONMW-VIFPVBQESA-N 255.098 -0.386 50 20 CBGD CNC(=O)[C@H]1CCCC[C@@H]1NCc1ccccc1B(O)O 585029032 BFMQIKDHJFTUEC-JSGCOSHPSA-N 290.172 -0.239 50 20 CBGD CC1(C)[C@H](O)C[C@H]1NCc1ccc(B(O)O)cc1F 585036895 ROBUPJUYZQTORL-VXGBXAGGSA-N 267.109 -0.246 50 20 CBGD OB(O)c1ccc(CNCC[C@]2(O)CCCOC2)cc1 585045558 ITEUSHQOVVICQR-CQSZACIVSA-N 279.145 -0.612 50 20 CBGD OC[C@@H]1CCC[C@@H](NCc2ccc(B(O)O)o2)C1 585047030 YWTFGWTXTMUCTF-NXEZZACHSA-N 253.107 -0.400 50 20 CBGD O=C1CCSc2ccc(C(=O)NCB(O)O)cc2N1 585057785 KJXLXWJCFJDQJI-UHFFFAOYSA-N 280.114 -0.137 50 20 CBGD O=C(NCB(O)O)c1ccc(OCC(F)(F)F)o1 585062082 AXNWVJOXAOITON-UHFFFAOYSA-N 266.968 -0.038 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)c2ccccc2O)CC1 731865104 KDCHWJGSIUFHAK-UHFFFAOYSA-N 263.253 -0.581 50 20 CBGD O=C(CCN1CCCS1(=O)=O)NNc1cnccn1 734244507 LGEDNPPQJQNCCX-UHFFFAOYSA-N 285.329 -0.655 50 20 CBGD Cn1ccc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 749859422 VBVAVGPTSZNBQJ-JTQLQIEISA-N 284.341 -0.155 50 20 CBGD CSCCNC(=S)NNC(=O)C(=O)NC1CC1 752735617 VVJWTLUXVQHJST-UHFFFAOYSA-N 276.387 -0.877 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1ccc2nnnn2c1 758158036 PMKFIGQAFQXOPV-UHFFFAOYSA-N 285.267 -0.462 50 20 CBGD CC(=O)NNC(=O)c1cn(CC(=O)C(C)(C)C)nn1 762437895 SSWKDOKEJSQIJS-UHFFFAOYSA-N 267.289 -0.326 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(F)c(F)c1F 764429802 ZVLAHJPUPYRFGR-UHFFFAOYSA-N 291.185 -0.818 50 20 CBGD COc1cc(C(=O)NNC(=O)CO)cc(OC)c1OC 765459856 DRHHPVIKDCPMPQ-UHFFFAOYSA-N 284.268 -0.534 50 20 CBGD Cc1cc(C(=O)NNC(=O)C[C@H]2CCOC2)n[nH]1 765587582 NYZKSGKOCAINAC-MRVPVSSYSA-N 252.274 -0.094 50 20 CBGD CC[C@H](CO)NC(=O)NNC(=O)CNC(=O)c1ccco1 775734975 FATNKBFFZVIQFC-MRVPVSSYSA-N 298.299 -0.889 50 20 CBGD C[C@H]1CCN(S(=O)(=O)NNC(=O)Cc2cccnc2)C1 777932602 IFIMSYDVWBOMAA-JTQLQIEISA-N 298.368 -0.169 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc(OC2COC2)cc1 782095192 SANVDFHLFOPCGU-UHFFFAOYSA-N 281.268 -0.391 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1cnc(Cl)n1C 782477896 CEDPHWGFFYISOA-UHFFFAOYSA-N 295.752 -0.072 50 20 CBGD Cc1cnn(C)c1C=NNC(=O)C(=O)NC(C)C 794886624 OFWVHHXFJDXNNH-UHFFFAOYSA-N 251.290 -0.297 50 20 CBGD CN(C)CC(=O)NNC(=O)C1CCN(C2CC2)CC1 802519172 RIKIEMMBJZDUMH-UHFFFAOYSA-N 268.361 -0.430 50 20 CBGD O=C(CN1CCCC1=O)NN=C1CC(C(=O)O)C1 814761156 PTGAAOFRHCWYHG-UHFFFAOYSA-N 253.258 -0.424 50 20 CBGD CCCS(=O)(=O)CC(=O)NNc1ncncc1F 817079716 KAVLSWMHSUZSCG-UHFFFAOYSA-N 276.293 -0.116 50 20 CBGD Cc1nnc(NNC(=O)[C@](C)(C#N)CC(=O)O)nc1O 821225013 QLERSQLOLTTWHP-JTQLQIEISA-N 280.244 -0.667 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 823846633 LWIKQMFCEFPKPP-SNVBAGLBSA-N 271.361 -0.021 50 20 CBGD CCC(=O)N[C@@H](CCSC)C(=O)NN(C)[C@H](C)CO 823971534 WDNVFJVFVOQQKU-ZJUUUORDSA-N 291.417 -0.022 50 20 CBGD Cc1nn(C)c(C)c1CC(=O)NN(C)[C@@H](C)CO 823977502 YMQNPLWANBCAQI-QMMMGPOBSA-N 254.334 -0.077 50 20 CBGD C[C@H](N)C[C@@H](C)NC(=O)NNC(=O)N=c1cc[nH]cc1 831223868 NSFOFGDEVZJHKF-DTWKUNHWSA-N 280.332 -0.035 50 20 CBGD O=C(CNC(=O)[C@@H]1CCCN1)NNc1ccccc1 831742047 TVRPAYRTRNNGEL-NSHDSACASA-N 262.313 -0.002 50 20 CBGD CNC(=O)C[C@@H](C)NC(=O)NNc1nc(C)cc(OC)n1 836629442 GEYFQVYJUPZLMY-SSDOTTSWSA-N 296.331 -0.056 50 20 CBGD CCOC(=O)[C@H](CC)C(=O)NNC(=O)CN(C)C 839638451 IWGOZWQNDDARQY-MRVPVSSYSA-N 259.306 -0.715 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCN(C)[C@@H]1C 843964663 FMITXKVTYFTVJZ-GWOFURMSSA-N 269.345 -0.101 50 20 CBGD O=C(NN=c1cc[nH]cc1)[C@H]1CCCS(=O)(=O)C1 845927738 RRDYMUWDYGSSPE-VIFPVBQESA-N 269.326 -0.229 50 20 CBGD O=S(=O)(CCl)NC[C@@H](CO)[C@H]1CCOC1 849391689 SWODVALACGGSSM-YUMQZZPRSA-N 257.739 -0.253 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)C[C@@H]2CC(=O)N2)cc1 854211952 UANVEBUIKCZBQB-JTQLQIEISA-N 291.307 -0.200 50 20 CBGD CNC(=S)N(C)NC(=O)CNC(=O)c1cccc(O)c1 854922661 OVNNTMNXWXBVOY-UHFFFAOYSA-N 296.352 -0.411 50 20 CBGD CCCN1C[C@@H](C(=O)NN(C)C(=S)NC)CC1=O 854927900 STZMPJBDWPRHNV-QMMMGPOBSA-N 272.374 -0.288 50 20 CBGD CNC(=O)C1(C(=O)NNC(=S)NCC2CCC2)CC1 855091312 LHIGIJXXEGTOKN-UHFFFAOYSA-N 284.385 -0.192 50 20 CBGD COC1CC(C(=O)NNc2nc(O)c3cnn(C)c3n2)C1 859374890 OOGAONJKGOPBLZ-UHFFFAOYSA-N 292.299 -0.063 50 20 CBGD CCc1ccc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)nc1 862462340 WMROYQDQEGDYGV-NSHDSACASA-N 290.323 -0.388 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1cccc2c1CCC2 863459547 DAOPIPQJDZVIJF-UHFFFAOYSA-N 296.348 -0.019 50 20 CBGD CC(=O)[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 863883988 UTNXRJQCBLFKAB-ZDUSSCGKSA-N 275.113 -0.050 50 20 CBGD COC(=O)N(C)NC(=O)NC[C@]1(OC)CCOC1 875496287 PMEDNTMNMKMUFW-SNVBAGLBSA-N 261.278 -0.296 50 20 CBGD COCCN([C@H](C)C(N)=O)S(=O)(=O)CCCCl 881864792 AYAXPQRTNWVJKG-MRVPVSSYSA-N 286.781 -0.233 50 20 CBGD CC(=O)OC(C)(C)C(=O)NNC(=O)C1CCOCC1 883068272 NQSSKXVEDDEYEG-UHFFFAOYSA-N 272.301 -0.098 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cnn2c1OCCC2 910145973 AENYBSQAZWWLHO-MRVPVSSYSA-N 254.290 -0.377 50 20 CBGD C[C@H](O)CN(C)NC(=O)CCC(=O)c1cnn(C)c1 910149316 CEGVHANRWCXJDP-VIFPVBQESA-N 268.317 -0.273 50 20 CBGD NC(=O)c1ccc(NNC(=O)CCc2ncc[nH]2)nn1 1117436651 OGNFJLVSCAJMBN-UHFFFAOYSA-N 275.272 -0.626 50 20 CBGD CC(=O)NNC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F 1119033584 PXCCCALESSLRRA-NTSWFWBYSA-N 267.207 -0.532 50 20 CBGD COCCCN(C)CCNC(=O)NN(C)C(=O)OC 1119217595 GGSTVNINUBNPDJ-UHFFFAOYSA-N 276.337 -0.133 50 20 CBGD Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](B(O)O)C1 1261843726 PMJOHCQRIJFSQO-SSDOTTSWSA-N 279.061 -0.134 50 20 CBGD Cc1noc(C)c1C(=O)NNC(=O)C(=O)N1CCCC1 1318119437 HLTHQUQFPZCXSE-UHFFFAOYSA-N 280.284 -0.325 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)NCCn2cncn2)cc1 1318352948 BHFKKTLWCKTGRD-UHFFFAOYSA-N 299.294 -0.206 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)Cc2ccncc2)CN1 1318895160 ALJATQWVKLXUMS-SNVBAGLBSA-N 276.296 -0.702 50 20 CBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)C2CC2)co1 1319973555 QOZDVUUCPMVDSJ-UHFFFAOYSA-N 273.270 -0.902 50 20 CBGD Cn1c(C(=O)NNC(=O)Cc2ccncc2)cccc1=O 1323025505 ZAJRVWJANMNELV-UHFFFAOYSA-N 286.291 -0.216 50 20 CBGD CNC(=O)C1(C(=O)NNc2ncncc2F)CC1 1324458795 YWRYXLPXUFKVEN-UHFFFAOYSA-N 253.237 -0.415 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCCc2nn[nH]c21 1328782807 YZZUWKGVSWNYOY-MRVPVSSYSA-N 289.299 -0.662 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)C23CCCN2CCC3)N1 1329531481 UCVUGTRIIUMQKG-SECBINFHSA-N 280.328 -0.959 50 20 CBGD O=S(=O)(CCl)N1CCC(CO)(CO)CC1 1329673929 NTZPWHCRKXBXQG-UHFFFAOYSA-N 257.739 -0.421 50 20 CBGD O=C(NNS(=O)(=O)C[C@@H]1CCCO1)c1cn[nH]c1 1330168765 OXMQBSUCCWNWCB-QMMMGPOBSA-N 274.302 -0.847 50 20 CBGD CC(=O)c1ncc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 1331881340 ISNDCCNQVMFXLR-LURJTMIESA-N 296.308 -0.615 50 20 CBGD O=C(N[C@H]1CN2CCC1CC2)c1cccc(B(O)O)c1 1336617127 OXWLNXBVIXFFCS-ZDUSSCGKSA-N 274.129 -0.810 50 20 CBGD O=C(CCC1CCOCC1)NNC(=O)C(=O)NC1CC1 1339576490 XVGRWRVBJRYYEQ-UHFFFAOYSA-N 283.328 -0.381 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc(OC2COC2)cc1 1343217571 KDEXAQAOCVTAFB-UHFFFAOYSA-N 293.279 -0.430 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1CCc2cccnc21 1348436882 QRUMRYBSGSDEOV-VIFPVBQESA-N 297.336 -0.697 50 20 CBGD C/C(=C/C(=O)NNC(=O)C1CC1)C(=O)NNC(=O)C1CC1 1527518443 VQOVPKRYMALJKG-SREVYHEPSA-N 294.311 -0.953 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)CC1(O)CCNCC1 1575140647 ICFNDQAGTNKTQW-UHFFFAOYSA-N 288.417 -0.215 50 20 CBGD CC(C)C(=O)NNC(=O)CN(C)C[C@H](C)C(=O)O 1588799279 ABVNAXOLXIRNHD-QMMMGPOBSA-N 259.306 -0.558 50 20 CBGD CO[C@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1591319749 BWRUKJIDYVTGSI-ZCFIWIBFSA-N 263.261 -0.260 50 20 CBGD O=C(O)c1ccc(C(=O)NNC(=O)c2ccnnc2)nc1 1595220912 OYKYSUNXTJTZDC-UHFFFAOYSA-N 287.235 -0.355 50 20 CBGD CCN1CCO[C@H](C(=O)NNc2ccc(C(=O)O)cn2)C1 1596441974 BTXDPRIOMZGIEJ-JTQLQIEISA-N 294.311 -0.056 50 20 CBGD COC(=O)C(=O)NN[C@@H](C(=O)O)c1ccccc1F 1598683723 BIKSMADXFQBLOL-MRVPVSSYSA-N 270.216 -0.255 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 1601552829 JSBQKMYYRRXEJG-IWSPIJDZSA-N 297.311 -0.251 50 20 CBGD CC(C)(C)[C@H](C(=O)O)C(=O)NNC(=O)C(=O)NC1CC1 1602852195 ICCGOGMSWJVDAM-ZETCQYMHSA-N 285.300 -0.841 50 20 CBGD O=C(O)c1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)[nH]n1 1605815300 BZFBHZLFHLAUSV-QMMMGPOBSA-N 282.256 -0.562 50 20 CBGD C[C@H](CC(=O)O)NC(=O)NNC(=O)c1cnn(C)c1 1609885940 SSCVCOMRODGCTC-ZCFIWIBFSA-N 269.261 -0.773 50 20 CBGD O=S(=O)(CBr)NCCCOCCO 230724046 JMNMILANLDAZHF-UHFFFAOYSA-N 276.152 -0.343 50 20 CBGD O=C(CN1CCCS1(=O)=O)NNc1ncccc1F 286173655 ZYWKDWAXIHGMCW-UHFFFAOYSA-N 288.304 -0.301 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)N2CCOCC2)[nH]1 292754478 RSOYDYAJUWZNPW-UHFFFAOYSA-N 296.283 -0.512 50 20 CBGD COC(=O)N1CC(NC(=O)NNC(=O)CC(F)(F)F)C1 492571499 DGBSOZGJFCMVRR-UHFFFAOYSA-N 298.221 -0.280 50 20 CBGD CCN1CC[C@@H](N(C)C(=O)c2cc(B(O)O)ccc2F)C1 584941594 LVCPJDADEGQRIC-LLVKDONJSA-N 294.135 -0.328 50 20 CBGD C[C@H]1CCN(C)CCN1C(=O)c1ccc(B(O)O)cc1 584945489 IINXYDNFUQNPFB-NSHDSACASA-N 276.145 -0.467 50 20 CBGD NC(=O)C1(CNC(=O)c2ccc(B(O)O)cc2)CCCC1 584951402 NLKJERAUHPUPAE-UHFFFAOYSA-N 290.128 -0.858 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H](F)C[C@H]1CO 584978829 DMKIMIOOZHDAIG-IUCAKERBSA-N 285.055 -0.950 50 20 CBGD CCN1C[C@H](C)N(C(=O)c2cccc(B(O)O)c2)[C@@H](C)C1 584998958 UDATTYPFOUFJSG-RYUDHWBXSA-N 290.172 -0.079 50 20 CBGD C[C@@]1(C#N)CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 585008101 GHGGHYUNGKBLBR-ZDUSSCGKSA-N 276.076 -0.119 50 20 CBGD C[C@H]1C[C@@H](NCc2ccc(B(O)O)o2)CN1C1CC1 585027941 BDTDLKRIKZECDV-VHSXEESVSA-N 264.134 -0.326 50 20 CBGD OB(O)c1ccc(-c2noc(CC3(O)CCC3)n2)cc1 585053718 GUFXDGSGVQEPNQ-UHFFFAOYSA-N 274.085 -0.126 50 20 CBGD C[C@]1(C(=O)NCB(O)O)COc2ccccc2O1 585063290 WLZYUHGVQUYHTB-LLVKDONJSA-N 251.047 -0.655 50 20 CBGD O=C1CSc2ncnc(N3CC[C@@H](B(O)O)C3)c2N1 585078380 CWFLJIMOJRRFEG-ZCFIWIBFSA-N 280.118 -0.426 50 20 CBGD CNC(=O)c1ccc(C(=O)NNC(=O)NCC2CC2)cn1 728518416 ICVJKJCKGXJTDL-UHFFFAOYSA-N 291.311 -0.205 50 20 CBGD CN(CC(=O)NNc1cccnn1)c1ncnc2[nH]cnc12 736710950 PNQUWOBIVFMBTM-UHFFFAOYSA-N 299.298 -0.278 50 20 CBGD CN(C)N(C(=O)[C@@H]1C[C@H]1C(=O)O)[C@H]1CCS(=O)(=O)C1 737370728 SESJYJLONPKEBA-DJLDLDEBSA-N 290.341 -0.801 50 20 CBGD CC[C@H](C(=O)NNc1nnc(C)c(O)n1)N1CCCC1=O 743296149 VSOSMHLJWMTNEG-MRVPVSSYSA-N 294.315 -0.270 50 20 CBGD COc1cccc(COCC(=O)NNC(=O)CO)c1 753440287 ZGTQHTTVWFHPSG-UHFFFAOYSA-N 268.269 -0.649 50 20 CBGD COc1cc(C(=O)NNC(=O)c2cnn(C)c2)on1 753489734 NQUJPJBAKDLFIP-UHFFFAOYSA-N 265.229 -0.509 50 20 CBGD Cc1cc(NC(=O)NNC(=O)c2cnn(C)c2)nn1C 757753177 KKQMEJMZGWJNHV-UHFFFAOYSA-N 277.288 -0.071 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1cnccn1 760151621 LCMYRJANVPPFSJ-UHFFFAOYSA-N 253.262 -0.976 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)c1ccc(Cl)nc1 761136419 QYRRWNDELLCXIO-UHFFFAOYSA-N 285.691 -0.575 50 20 CBGD CCCNC(=O)NNS(=O)(=O)c1cnc(Cl)n1C 765059096 KGFKJOMMQATNMZ-UHFFFAOYSA-N 295.752 -0.024 50 20 CBGD C[C@@H](C[S@@](C)=O)N(C)CC(=O)NNC(=O)C(C)(C)C 767838579 OIZIGEMPKSZWJO-ZRNGKTOUSA-N 291.417 -0.121 50 20 CBGD CC(C)C(=O)NNC(=O)[C@@H]1CCCCS1(=O)=O 771886414 XOXDAQRJHAIDPV-QMMMGPOBSA-N 262.331 -0.243 50 20 CBGD Cn1ncc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)n1 786541890 FTNVGDBSNILDQC-UHFFFAOYSA-N 298.303 -0.899 50 20 CBGD Cn1cc(C(=O)NNC(=O)Nc2cnnn2C)cn1 809903152 AWYLAJBEHUZPMD-UHFFFAOYSA-N 264.249 -0.985 50 20 CBGD COC(=O)CNC(=O)NN=C(C)Cn1cccn1 814900844 KVDLTTNWNSFLGK-UHFFFAOYSA-N 253.262 -0.269 50 20 CBGD Cn1cc(C(=O)NNC(=O)CO)c(C2CCC2)n1 819924010 BGQSQCSNYJFQPB-UHFFFAOYSA-N 252.274 -0.559 50 20 CBGD CCN(CCO)NC(=O)c1ccc(C(N)=O)cc1 823837812 GLLLNONZCGKLBZ-UHFFFAOYSA-N 251.286 -0.256 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccnc2c1ncn2C 823921893 DVXJJVOKYMGNJQ-MRVPVSSYSA-N 263.301 -0.074 50 20 CBGD CC#CCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 823937284 PYTRMJUSLJHLGM-UHFFFAOYSA-N 299.294 -0.166 50 20 CBGD CCON(CC)C(=O)c1cc(B(O)O)ccc1F 831445620 JAEUFNQJVRSHAT-UHFFFAOYSA-N 255.054 -0.081 50 20 CBGD C[C@@H](CN(C)C)NC(=O)NNC(=O)[C@@H]1CCCCO1 838592490 SRTYKNWJNDNHHO-UWVGGRQHSA-N 272.349 -0.164 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cn2cccnc2n1 843976766 YWUNXWKLTFNHPW-DTWKUNHWSA-N 289.295 -0.085 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843979616 PLCFKGTTWPETOA-YUMQZZPRSA-N 257.290 -0.915 50 20 CBGD O=C(CC1CC1)NNC(=O)[C@H]1CCc2nnnn2CC1 846227627 BQZHMXGEZGVGCH-VIFPVBQESA-N 278.316 -0.427 50 20 CBGD C[C@H](NC(=O)C1CCCC1)C(=O)NNC(=O)c1cc[nH]n1 855359361 OPPZDCMAUMTBTP-QMMMGPOBSA-N 293.327 -0.134 50 20 CBGD C[C@@]1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCCO1 858290748 XGEZUCABTLNMQT-PELKAZGASA-N 284.316 -0.836 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)NC[C@H]2COCO2)cn1 861979167 ANOVJEGVQMNDOL-KJQCOJPZSA-N 262.269 -0.184 50 20 CBGD CCO[C@@H](CC)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862452412 KMDSZZZLIUWHLC-YUMQZZPRSA-N 257.290 -0.773 50 20 CBGD COc1ccnc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862456257 WPGHBSXOJHQJIX-QMMMGPOBSA-N 278.268 -0.870 50 20 CBGD O=C(C[C@@H]1CC[C@@H]2C[C@H]12)NNC(=O)[C@@H]1CCC(=O)N1 862461180 OEMPENDHFINKHG-KATARQTJSA-N 265.313 -0.151 50 20 CBGD Nc1ncc2c(n1)CCCC2=NNC(=O)[C@@H]1CCC(=O)N1 863150190 ORRFTPNPUCWJIT-JTQLQIEISA-N 288.311 -0.506 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@H](CCO)C1 866805930 CDCMGUWDRRYSKQ-LLVKDONJSA-N 277.129 -0.399 50 20 CBGD CC[C@H](NC(C)=O)C(=O)NNc1ncncc1F 868541737 XMHOHUZYZKQNKJ-QMMMGPOBSA-N 255.253 -0.027 50 20 CBGD COCCOCC(=O)NNS(=O)(=O)c1cccs1 872381929 DNPUWXBLERRJIH-UHFFFAOYSA-N 294.354 -0.279 50 20 CBGD CN1CCCC[C@@H](C(=O)NNC(=O)C2CC2)C1=O 873751207 PMAVDIGBNHSCDW-VIFPVBQESA-N 253.302 -0.198 50 20 CBGD COC(=O)N1CCC[C@@H](NCc2ccc(B(O)O)cc2)C1 876997218 QEIRWUZRSHANHD-CYBMUJFWSA-N 292.144 -0.313 50 20 CBGD C[C@@H]1CCCN1CCNC(=O)NNC(=O)c1ncccn1 897509725 AQQOQTXYVPUTFM-SNVBAGLBSA-N 292.343 -0.095 50 20 CBGD CN1CCO[C@@H](C(=O)NNc2ccccn2)C1=O 901340382 WZLNEVNJRCXQEO-VIFPVBQESA-N 250.258 -0.618 50 20 CBGD CC[C@H]1CC[C@@H](C(=O)NNC(=O)CN2CCCC2=O)O1 913731263 AWSQVSNKIBEAQH-UWVGGRQHSA-N 283.328 -0.286 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@H]2COC[C@H]2C)n1 925991209 MYCIKUXVIVOVFD-KCJUWKMLSA-N 295.343 -0.135 50 20 CBGD C[C@@H]1COC[C@H]1NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 925994982 WMBIDTWOWLUCSV-FXPVBKGRSA-N 291.373 -0.598 50 20 CBGD COC(=O)C(=O)NN=C1C(=O)Nc2cc(F)ccc21 1116196103 VHKSSRKWKRLBFH-UHFFFAOYSA-N 265.200 -0.229 50 20 CBGD COC(=O)C[C@H](C)C(=O)NNc1nnc(C)c(O)n1 1116262590 XPVGJTBYOGOHAK-YFKPBYRVSA-N 269.261 -0.472 50 20 CBGD COC(=O)CNC(=O)NN=Cc1c(C)nn(CCO)c1C 1116513650 VRRVEJOQDUMSST-UHFFFAOYSA-N 297.315 -0.702 50 20 CBGD Cc1nnc(NNC(=O)Cn2nccc2C)nc1O 1118967584 GYFIAZVXRXIJKF-UHFFFAOYSA-N 263.261 -0.466 50 20 CBGD COC(=O)N(C)NC(=O)NCC(=O)N1CCCC1 1119159873 JDVHPGXZKOCZSW-UHFFFAOYSA-N 258.278 -0.479 50 20 CBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)OC(C)(C)C 1263700465 XPUKTMIYYJFVNH-UWVGGRQHSA-N 284.360 -0.069 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(C#N)s1 1318935580 MFRPQEHLXMIKIV-UHFFFAOYSA-N 280.309 -0.095 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCS(=O)(=O)C1 1320066081 PWMUSKJRGDNMRP-SSDOTTSWSA-N 263.319 -0.886 50 20 CBGD Cn1cnc(C(=O)NNC(=O)N=c2cc[nH]cc2)n1 1324060380 ODXFKYHPWBYZIT-UHFFFAOYSA-N 261.245 -0.902 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1cnc2c(cnn2C)c1 1324179322 RTUKNZPPSJDFMA-UHFFFAOYSA-N 298.328 -0.519 50 20 CBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ncnc2[nH]cnc12 1327884880 ATSSMIVEBHAKGJ-RITPCOANSA-N 275.272 -0.693 50 20 CBGD CC(C)(C(N)=O)C(=O)NNc1ccc(-n2ccnc2)nn1 1328668435 HNWDTKCVYKZKOE-UHFFFAOYSA-N 289.299 -0.383 50 20 CBGD CCC(=O)N1CC[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)C1 1331295571 DSAPNEVMDDWDMS-SECBINFHSA-N 294.315 -0.635 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCC(=O)C1 1332483101 VZIDJTGFDQXHDL-SSDOTTSWSA-N 255.274 -0.972 50 20 CBGD O=C(NNC(=S)NCC1CC1)c1cccnn1 1334101686 YTHNLGBOGXHWLE-UHFFFAOYSA-N 251.315 -0.005 50 20 CBGD Cn1ccnc(NNC(=O)CO[C@@H]2CCOC2)c1=O 1339906044 CGLODJCLFUPQIX-MRVPVSSYSA-N 268.273 -0.971 50 20 CBGD C[C@@H](CCCN)NC(=O)NNC(=O)c1cnn(C)c1 1575951844 JOAJJGHOBJESEU-QMMMGPOBSA-N 268.321 -0.509 50 20 CBGD COc1cc2c(cc1OC)N[C@H](C(=O)NNC(=O)CO)C2 1579174747 JKEIKADAZQASPB-VIFPVBQESA-N 295.295 -0.820 50 20 CBGD COc1cccc(OCCC(=O)NNC(=O)NCCN)c1 1579284997 UBFIXMKQYAVFRA-UHFFFAOYSA-N 296.327 -0.247 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccc(C(=O)O)nc1 1593994862 XBIWYEKLEDTZKF-UHFFFAOYSA-N 296.283 -0.240 50 20 CBGD CN(C)[C@H](CNC(=O)NNC(=O)C(=O)O)c1ccco1 1598169471 AUEIMIIPTSPLGB-SSDOTTSWSA-N 284.272 -0.703 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CO[C@@H](CCC(=O)O)C1 1603269193 VODHVRVNAQSQJM-AEJSXWLSSA-N 274.317 -0.400 50 20 CBGD CC(C)N(CCC(=O)O)C(=O)c1cc(B(O)O)ccc1F 1603879267 GISMPCWSZSUJHI-UHFFFAOYSA-N 297.091 -0.169 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(C(=O)O)cc1F 1610099662 NWTPINNGUVRUSL-UHFFFAOYSA-N 283.259 -0.154 50 20 CBGD COCCNC(=O)NNC(=O)c1ccccc1O 42842990 GGGPKAMEDZHJRV-UHFFFAOYSA-N 253.258 -0.017 50 20 CBGD COCCCNC(=O)NNC(=O)c1cnn(C)c1C 49167397 PVSYPWHPAXOMKD-UHFFFAOYSA-N 269.305 -0.291 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=O)c1ccc(C#N)cc1 61474654 BBRFYYYKARRHPV-MRVPVSSYSA-N 274.280 -0.156 50 20 CBGD COC(=O)CN(CC(=O)OC)S(=O)(=O)CCl 82513323 GWSVTLAHFSZOLH-UHFFFAOYSA-N 273.694 -0.840 50 20 CBGD Cc1cc(C)nc(NNC(=O)CN2CCN(C)CC2)n1 109939113 DSDPFWBLABDYDB-UHFFFAOYSA-N 278.360 -0.216 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1ccc(F)cn1 123164551 DNKWFWADSVIBLU-UHFFFAOYSA-N 255.253 -0.065 50 20 CBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)c2ccccc2)nn1 124711327 ZNOQWOUKYIBGJH-SECBINFHSA-N 289.295 -0.207 50 20 CBGD O=S(=O)(CBr)NCCOCCO 127368394 GWCSQXBTOXMEJH-UHFFFAOYSA-N 262.125 -0.733 50 20 CBGD C#CCN(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 192230889 RYSUDOZWDGGWCC-UHFFFAOYSA-N 290.279 -0.079 50 20 CBGD CC(C)(C)OCC(=O)NNC(=O)CNC(=O)c1ccco1 272257332 UNDDVWIBABNXKQ-UHFFFAOYSA-N 297.311 -0.028 50 20 CBGD COC(=O)NNC(=O)[C@@H](C)[C@H](C)C(=O)NNC(=O)OC 276833765 RQCNLBSOQNYBBE-WDSKDSINSA-N 290.276 -0.967 50 20 CBGD CO/N=C/C(=O)NNC(=O)CNc1ccc(OC)cc1 289284950 GOBLHRRUKJWSIZ-RIYZIHGNSA-N 280.284 -0.113 50 20 CBGD CO/N=C/C(=O)NNC(=O)COCc1ccccc1 289616705 WCXJHJKHDAJGOR-NTUHNPAUSA-N 265.269 -0.017 50 20 CBGD O=C(NNC(=O)[C@@H]1OC[C@H]2COCC[C@H]21)c1ccccn1 289750812 IVODXSMZXPVYQQ-CKYFFXLPSA-N 291.307 -0.106 50 20 CBGD COC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)NC2CC2)O1 290519935 NMTLQHSCXRJKDX-JGVFFNPUSA-N 271.273 -0.800 50 20 CBGD CCCCCS(=O)(=O)CC(=O)NNc1nnc[nH]1 293804666 DOMAKWDFMTVLFT-UHFFFAOYSA-N 275.334 -0.147 50 20 CBGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NN)CC1=O 361739261 OJSYWVOATUFRER-VHSXEESVSA-N 254.334 -0.691 50 20 CBGD CCOCCOCC(=O)Nc1cccc(B(O)O)c1 584910376 OSZAKKDWMOXVQD-UHFFFAOYSA-N 267.090 -0.642 50 20 CBGD O=C(NC[C@@H]1CCCCO1)c1cccc(B(O)O)c1 584935650 SXNDVPVVKDEACQ-LBPRGKRZSA-N 263.102 -0.335 50 20 CBGD CCN1C[C@@H](C)N(C(=O)c2cccc(B(O)O)c2)C[C@H]1C 584968798 OASZYEUYBMOZRA-VXGBXAGGSA-N 290.172 -0.079 50 20 CBGD CCC1(CO)CCN(C(=O)c2cccc(B(O)O)c2)CC1 584969520 VMGAFJAIPQGLSX-UHFFFAOYSA-N 291.156 -0.009 50 20 CBGD CO[C@@H]1CCC[C@H]1CNC(=O)c1cccc(B(O)O)c1 584971338 PQSMEZGRUFSFAH-WCQYABFASA-N 277.129 -0.089 50 20 CBGD C[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H](C(N)=O)C1 584973388 HNWAJHKEJVJSOK-CABZTGNLSA-N 290.128 -0.908 50 20 CBGD C[C@H](O)CCCNC(=O)c1ccc(B(O)O)c(F)c1 584982898 KRIFGFLFIROTDC-QMMMGPOBSA-N 269.081 -0.604 50 20 CBGD O=C(N[C@@H]1CCSC1)c1cc(B(O)O)ccc1F 584986285 YMBGUPKNMLZVRB-MRVPVSSYSA-N 269.106 -0.259 50 20 CBGD CC(C)N(C)C[C@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584991630 DZSQYQFNDMUFNF-JTQLQIEISA-N 296.151 -0.036 50 20 CBGD C[C@@](O)(CNCc1ccc(B(O)O)cc1)C(F)(F)F 585032451 UZWVNIPEKMPEOS-SNVBAGLBSA-N 277.051 -0.231 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H](C)Cn1cccn1 731280456 YRDYJUXPAZACBV-SECBINFHSA-N 269.305 -0.362 50 20 CBGD COc1ccc(OC)c(CC(=O)NNC(=O)CN(C)C)c1 733359201 HFHJBWKGGOAOFM-UHFFFAOYSA-N 295.339 -0.045 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)[C@H]1C[C@H]1C(=O)O 739336807 JOEYASOOWZAZRZ-JGVFFNPUSA-N 294.263 -0.361 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCCOCC1 744395719 WCCXOLJCIYOCGY-UHFFFAOYSA-N 257.334 -0.098 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1ccc2nn[nH]c2n1 753981517 MXYMMWOIDKCQGV-UHFFFAOYSA-N 285.267 -0.234 50 20 CBGD O=C(CO)NNC(=O)Nc1nnc(C2CC2)s1 755408907 JUQVWZLLRYRFPR-UHFFFAOYSA-N 257.275 -0.440 50 20 CBGD COCC(=O)NNC(=O)Nc1cc(C(N)=O)ccc1C 756260935 ZGDOPHVMNBGWQZ-UHFFFAOYSA-N 280.284 -0.107 50 20 CBGD CNc1nc(C(=O)NNC(=O)Cc2cc[nH]n2)cs1 758073563 NNEMGZVBPNLGDK-UHFFFAOYSA-N 280.313 -0.088 50 20 CBGD CCOC(=O)NNC(=O)Nc1ncn(CC(=O)N(C)C)n1 770043244 XXTKXKJIHWAWNZ-UHFFFAOYSA-N 299.291 -0.851 50 20 CBGD COCCCNC(=O)NNC(=O)COCc1ccnn1C 785954214 DCXHSIXRECJWMF-UHFFFAOYSA-N 299.331 -0.696 50 20 CBGD CN(CC(=O)NNC(=O)NCC(F)(F)F)C(=O)C1CC1 798314955 IMUHSNALZIAEPP-UHFFFAOYSA-N 296.249 -0.253 50 20 CBGD CO[C@@H](C(=O)NNC(=O)c1ccncc1)c1cnn(C)c1 798820261 WLRRGSYUGKDCJY-LLVKDONJSA-N 289.295 -0.036 50 20 CBGD Cc1c(C(=O)NNC(=O)N=c2cc[nH]cc2)nnn1C 802028871 DGDOKLJDQSRLAI-UHFFFAOYSA-N 275.272 -0.593 50 20 CBGD C[C@H](NC(=O)c1ccoc1)C(=O)NN(C)[C@H](C)CO 823971135 PHWXUBGOPMALFT-BDAKNGLRSA-N 269.301 -0.258 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccccc1-n1cnnn1 823977475 XUFSSWGZMQSVFR-SECBINFHSA-N 276.300 -0.380 50 20 CBGD C[C@H](Oc1ccc(C=NNC(=O)C(N)=O)cc1)C(=O)O 827884554 RFVQJCDHXYLOJJ-ZETCQYMHSA-N 279.252 -0.526 50 20 CBGD C=CCOC[C@H](NS(=O)(=O)CCl)C(=O)OC 831353937 YUKYURKSLATMQC-ZETCQYMHSA-N 271.722 -0.154 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2C[C@@H]2C(=O)O)n1 831972816 RGXVXTDQXTXWLJ-BQBZGAKWSA-N 266.257 -0.043 50 20 CBGD CCOC(=O)[C@@H](CC)C(=O)NNC(=O)c1ncccn1 841448920 VMUFIXIKVSTWMS-QMMMGPOBSA-N 280.284 -0.173 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)C1CCC(N)CC1 843355348 SXJNIURYZPOPBL-UHFFFAOYSA-N 268.361 -0.255 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1C 843655331 IVGNVFAGCVIHNH-VGMNWLOBSA-N 269.301 -0.820 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)[C@H]1CCS(=O)(=O)N1 845073765 GAXMPFVYJTVYCW-ZCFIWIBFSA-N 279.318 -0.766 50 20 CBGD CCCCNC(=O)NNC(=O)Cn1nc(C)n(C)c1=O 847391742 GXXKQFCKRMQTAE-UHFFFAOYSA-N 284.320 -0.979 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H]1CC[C@@H]1C(N)=O 847644060 KBAJLDOYTXKSHL-NKWVEPMBSA-N 290.414 -0.644 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)N2CCOCCN2)cn1 854694533 PBMZJVWVNVZORG-IZZDOVSWSA-N 261.285 -0.310 50 20 CBGD CC(=O)N[C@@H](CC(=O)NNc1ccnc(Cl)c1)C(N)=O 855468258 QYDQCHRVHZZGRM-QMMMGPOBSA-N 299.718 -0.442 50 20 CBGD CCN1CCC[C@@H]1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858120670 ITHKOEURJLTBRL-NXEZZACHSA-N 297.359 -0.920 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCO2 859348360 PSEIPBLFSJBELH-ZETCQYMHSA-N 293.279 -0.299 50 20 CBGD C/C(=C/C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 862451397 BVKFYNOPPVGTSB-NMTCXDENSA-N 251.286 -0.231 50 20 CBGD CCc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 862462430 WWOSEPLHMCMYBW-JTQLQIEISA-N 276.296 -0.316 50 20 CBGD C[C@@H](CBr)CN1C[C@@H](C(N)=O)[C@@H](C(N)=O)C1 878973191 OJLUATCJIIYPOI-BIIVOSGPSA-N 292.177 -0.464 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCC[C@@H](C)[C@H]1CO 879365547 GFUHMJKGOJSUDG-GHMZBOCLSA-N 271.361 -0.117 50 20 CBGD CN1CC[C@@H](C(=O)NNc2ccc(C#N)cn2)C1=O 899662001 MNPINCOWKFRDBX-VIFPVBQESA-N 259.269 -0.125 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)C1(S(C)(=O)=O)CC1 899997389 RDVVTKSGWBSRSW-UHFFFAOYSA-N 293.414 -0.143 50 20 CBGD COCCCNC(=S)N(C)NC(=O)CCC(N)=O 905344185 SFDDGKKYFJQNPP-UHFFFAOYSA-N 276.362 -0.874 50 20 CBGD C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)CN2CCCC2=O)[C@H]1C 913730208 LNGOYIKRBZSUPS-QISWUMQESA-N 297.355 -0.184 50 20 CBGD CC(C)COCCC(=O)NNC(=O)C(=O)NC(C)C 915283270 ZICPLPLLXBOKNA-UHFFFAOYSA-N 273.333 -0.279 50 20 CBGD NNC(=O)c1nc2ncc(Br)cn2n1 919839705 FCHVTWWNQWNRDC-UHFFFAOYSA-N 257.051 -0.510 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NNC(=O)C1CCOCC1 920301537 NSFKLLJITPZVNM-LLVKDONJSA-N 299.371 -0.471 50 20 CBGD C[C@H]1[C@@H](N(C)C)CCN1CC(=O)NNC(=O)C1CC1 931039928 UMGGWIBVNRRUMN-ONGXEEELSA-N 268.361 -0.432 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)NC2CC2)c(C)[nH]1 1115839306 UUXFUFVOZXLPFT-UHFFFAOYSA-N 264.285 -0.329 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCN1C(N)=O 1118279868 NRDRSLPUMVIUEK-CIUDSAMLSA-N 284.316 -0.898 50 20 CBGD O=S(=O)(CC[C@H]1CCOC1)N1CC[C@@H](B(O)O)C1 1118975941 SGYAIFIYKJUGLC-NXEZZACHSA-N 277.151 -0.709 50 20 CBGD C[C@H](N)CCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 1119381752 RRJGZUDAXWOLDV-WPRPVWTQSA-N 278.378 -0.895 50 20 CBGD C[C@H](O)CN(C)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 1119581849 NOJLMMMGRSQMJV-DTWKUNHWSA-N 296.414 -0.750 50 20 CBGD O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21)C1CCOCC1 1120077854 KNCVWUIJDDIFSQ-JMJZKYOTSA-N 266.297 -0.215 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CN2CCN1C[C@H]2C 1123780981 UJYDSWIMFSSSDP-NXEZZACHSA-N 269.349 -0.933 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H](C)Oc1ccccc1 1318881935 FDZYNTJORFFVHZ-SECBINFHSA-N 295.295 -0.043 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCc1cnc[nH]1 1321204334 IYYGOIKMXLTXFY-UHFFFAOYSA-N 262.273 -0.165 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CCc2nnn(C)c2C1 1327665519 FAIYLFRTHYVRHU-QMMMGPOBSA-N 280.332 -0.388 50 20 CBGD Cc1nc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C)o1 1330107406 CURQJASXJCQYER-SSDOTTSWSA-N 266.257 -0.669 50 20 CBGD CNC(=O)NNC(=O)c1cnc(C2CC2)nc1N 1333886759 XQVNUCPTOWUXCQ-UHFFFAOYSA-N 250.262 -0.490 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCCS(=O)(=O)C1 1334201764 ICMNYTGNHIGONB-IUCAKERBSA-N 264.347 -0.845 50 20 CBGD Cn1ncc(C2CC2)c1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1348390032 XHVPXMDGYGFCET-VIFPVBQESA-N 291.311 -0.663 50 20 CBGD CC1(C)[C@@H](C(=O)NNC(=O)c2cc[nH]n2)C[C@H]1N 1576371127 JCMFZCOYFGZZBT-HTRCEHHLSA-N 251.290 -0.456 50 20 CBGD NCCC(=O)NNC(=O)c1ccn(CCC(F)(F)F)n1 1580281932 YKKWLSQVDYVOBZ-UHFFFAOYSA-N 293.249 -0.055 50 20 CBGD CO[C@@H](C)CNC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1591466681 YWGIRPWHTIXBOS-ZETCQYMHSA-N 292.303 -0.077 50 20 CBGD Cc1c(C(=O)O)cc(C=NNC(=O)[C@H]2COCCO2)n1C 1599984459 LTDRNVUDOLSHGX-LLVKDONJSA-N 295.295 -0.103 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCN(CC(F)(F)F)C1 1601553042 RQQUAWCGQLGPCB-RXMQYKEDSA-N 298.221 -0.962 50 20 CBGD O=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12)c1cccc(B(O)O)c1 1601573179 HJTQFDPSUQNDOC-KXNHARMFSA-N 289.096 -0.795 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(C(=O)O)on1 1609880075 VJWSQBNKMSAQLY-WDSKDSINSA-N 283.240 -0.441 50 20 CBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)NC2CC2)cc1 49128694 SFSTZRWPHDGSAY-UHFFFAOYSA-N 298.324 -0.560 50 20 CBGD Cc1ccc(C(=O)NNC(=O)NCC(=O)N(C)C)o1 84140909 KCXWAFHSOHEGJT-UHFFFAOYSA-N 268.273 -0.380 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(CC2CC2)CC1 111203673 NKCDFNLPROGMDL-LLVKDONJSA-N 282.388 -0.040 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)c1nonc1C 287772982 JYLAOKHOKMXMKZ-UHFFFAOYSA-N 286.288 -0.072 50 20 CBGD O=C(CN1CCCCC1=O)NNC(=O)[C@@H]1CCCO1 293924692 HDHNDBJSJXFKRS-VIFPVBQESA-N 269.301 -0.675 50 20 CBGD N#Cc1ccnc(C(=O)NNC(=O)[C@@H]2CCCO2)c1 294474199 BARFCVRILYCXIN-JTQLQIEISA-N 260.253 -0.107 50 20 CBGD CC(C)[C@H](C(=O)NNC(=O)N(C)C)N1CCCC1=O 299665040 NWCAJYAZJMRTCH-SNVBAGLBSA-N 270.333 -0.064 50 20 CBGD CC(=O)NNC(=O)CCn1cnc2ccccc2c1=O 302876314 AKHCTTIKWGDAEK-UHFFFAOYSA-N 274.280 -0.046 50 20 CBGD COC(=O)NCC(=O)NNC(=O)Cc1ccccc1F 491301573 FVHLXZJLNGMKDJ-UHFFFAOYSA-N 283.259 -0.128 50 20 CBGD COC[C@@H](C)CNC(=O)c1cccc(B(O)O)c1 584935282 FJQXNKFIWDNWKQ-VIFPVBQESA-N 251.091 -0.621 50 20 CBGD CSC[C@@H](C)NC(=O)c1cccc(B(O)O)c1 584948115 IXTBUQCVBJHHOI-MRVPVSSYSA-N 253.132 -0.152 50 20 CBGD N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584956593 DKMCGNXJVXDSJL-SKDRFNHKSA-N 276.076 -0.072 50 20 CBGD CN(CCCn1ccnc1)C(=O)c1ccc(B(O)O)cc1 584962349 DGWOFDOBLQXQME-UHFFFAOYSA-N 287.128 -0.275 50 20 CBGD C[C@H](O)C[C@@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 584965583 QBIIQXHISCMSQC-GWCFXTLKSA-N 277.129 -0.258 50 20 CBGD CC1(C)CN(C(=O)c2ccc(B(O)O)cc2)[C@@H]2COC[C@@H]21 584998642 GESSAYUYPNYXBA-QWHCGFSZSA-N 289.140 -0.137 50 20 CBGD CC[C@@H]1COC[C@@H]1NC(=O)c1ccc(B(O)O)cc1 585008516 WFSRPKXZNIZSLG-SKDRFNHKSA-N 263.102 -0.479 50 20 CBGD CC(C)NC(=O)C[C@@H](C)NCc1ccccc1B(O)O 585024006 RTPRKSMFTXDGAV-LLVKDONJSA-N 278.161 -0.241 50 20 CBGD CC(C)(C)n1nnc(CNCc2ccccc2B(O)O)n1 585045058 AJVQQFZJIFMPOL-UHFFFAOYSA-N 289.148 -0.602 50 20 CBGD O=C1CCCN1Cc1nc(-c2ccc(B(O)O)cc2)no1 585048824 DORZCEVQOBPUDA-UHFFFAOYSA-N 287.084 -0.461 50 20 CBGD Cc1nc(C)c(S(=O)(=O)N2CC[C@@H](B(O)O)C2)s1 585057536 GRQJJEXJGLSIGZ-MRVPVSSYSA-N 290.175 -0.003 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCCc2cccs2)N1 729844429 PCNUSYXRBJXHFQ-SECBINFHSA-N 296.352 -0.100 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(C(=O)OC)o1 730766761 XKSYGQUWYKMDLY-UHFFFAOYSA-N 277.258 -0.812 50 20 CBGD COc1c(C(=O)NNC(=O)NC2CC2)c(C)nn1C 732755008 NNTMXJDYTMQMLP-UHFFFAOYSA-N 267.289 -0.156 50 20 CBGD O=C(NNS(=O)(=O)C[C@@H]1CCCO1)N1CCOCC1 735647211 WUNBBCXWRNIUSA-VIFPVBQESA-N 293.345 -0.958 50 20 CBGD CN(C)C(=O)CCNC(=O)NNc1cccnn1 737037058 KGFNPJSFQOWYAM-UHFFFAOYSA-N 252.278 -0.419 50 20 CBGD COCCS(=O)(=O)NNC(=O)NCC1CC1 737756230 JWAHBMKBGDBGNX-UHFFFAOYSA-N 251.308 -0.824 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)CCNC(=O)O)c1 738434470 GODOKRDYZAUGLN-UHFFFAOYSA-N 276.252 -0.023 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)NC2)cc1 747171914 SYVOLPLMTUSTQZ-NSHDSACASA-N 286.291 -0.155 50 20 CBGD CS[C@H](C)CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758035955 OQMPXBDGIVJKCU-RQJHMYQMSA-N 297.402 -0.787 50 20 CBGD CO[C@H](C)C(C)=NNC(=O)[C@H]1CCS(=O)(=O)C1 763148831 GFVHEGJEYVMEKF-BDAKNGLRSA-N 262.331 -0.052 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCCCN2C)n[nH]1 768275903 CSBVWABADPMCGX-JTQLQIEISA-N 265.317 -0.037 50 20 CBGD CSC[C@@H](C)C(=O)NNC(=O)N1CCN(C)CC1 773672836 LFQLVBYQFNNNSF-SECBINFHSA-N 274.390 -0.026 50 20 CBGD O=C(CO)NNC(=O)c1cnn(-c2ccccc2)c1 777782021 VDCQXYOPRQZBMD-UHFFFAOYSA-N 260.253 -0.374 50 20 CBGD CCN(CC)CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 792853061 CFNOLNWHNLLOLE-LLVKDONJSA-N 291.417 -0.180 50 20 CBGD CC[C@H](CO)C(=O)NNC(=O)NCC(F)(F)F 798313646 KZNKKMSDJQWXLV-RXMQYKEDSA-N 257.212 -0.102 50 20 CBGD COCC(=O)NNC(=O)Nc1ccnc(OC)n1 801725602 CTPNUVFTGIMSKI-UHFFFAOYSA-N 255.234 -0.716 50 20 CBGD COCCN(C)NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 808075078 IFXPHYXAVROTSX-SECBINFHSA-N 295.405 -0.440 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCOCC(F)(F)C1 808784287 DKPNDLAAWSPTLB-QMMMGPOBSA-N 279.287 -0.100 50 20 CBGD COC(=O)C[C@@H](C)CC(=O)NNC(=O)Cc1cc[nH]n1 809667478 IZJJDJXTEXWXCA-QMMMGPOBSA-N 282.300 -0.311 50 20 CBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@@H](C)O)c1 822200461 IXAZRLCSYQDUEK-SSDOTTSWSA-N 268.269 -0.154 50 20 CBGD CCCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 825332749 LMELUJPTVDNCKC-UHFFFAOYSA-N 278.276 -0.451 50 20 CBGD CO[C@H](Cc1ccccc1)C(=O)NNC(=O)CO 827894025 JQFGLBRNWIQUGL-SNVBAGLBSA-N 252.270 -0.616 50 20 CBGD COc1cc(C)nc(NNC(=O)C[C@@H]2CCC(=O)N2)n1 829489060 ZUIIIRYQWKTNOI-QMMMGPOBSA-N 279.300 -0.095 50 20 CBGD COc1ncc(C(=O)NNC(=O)[C@@H]2CCCCO2)cn1 833251377 WMUCJXPFQNARIO-VIFPVBQESA-N 280.284 -0.185 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1C[C@@]12CCOC2 843656956 NWPDGBXAXQBSAU-QISWUMQESA-N 268.313 -0.015 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)N1CCOCC1 843970795 LGRRBEQWRPVCKU-WDEREUQCSA-N 299.371 -0.330 50 20 CBGD CO[C@@H](CN)CC(=O)NNC(=O)c1ccccc1 844204487 PCECBMMSTMAGKH-SNVBAGLBSA-N 251.286 -0.189 50 20 CBGD C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)C(=O)NC2CC2)[C@H]1C 858167605 FQEYFNULCKQCBF-OORONAJNSA-N 283.328 -0.528 50 20 CBGD C[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC(C)(C)O1 858696354 JOFMLKALRJXBGD-BDAKNGLRSA-N 298.343 -0.495 50 20 CBGD COc1ccc(O)c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862450781 AYSZJTQKEILPSE-SECBINFHSA-N 293.279 -0.560 50 20 CBGD CN(CC(F)(F)F)C(=O)COc1ccc(B(O)O)cc1 865373304 OILZGTZHOSXSTC-UHFFFAOYSA-N 291.034 -0.234 50 20 CBGD COCCOCC(=O)NNC(=O)Cc1ccc(O)cc1 869908207 KPTHNOQTNGQIAA-UHFFFAOYSA-N 282.296 -0.255 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccc(O)cc1F 869908303 ZVOWUQBKLYZNMJ-UHFFFAOYSA-N 286.259 -0.045 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccn(C(C)C)n1 869910556 UYHKPLZQJDHNAS-UHFFFAOYSA-N 284.316 -0.112 50 20 CBGD O=C(NN=C1CCS(=O)(=O)C1)c1cccnc1 912775452 GKCPCSBSGCAVQJ-UHFFFAOYSA-N 253.283 -0.014 50 20 CBGD Cc1csc(C(=O)NNC(=O)CN2CCNC(=O)C2)c1 912980082 OSUIHQHVUFEBJF-UHFFFAOYSA-N 296.352 -0.751 50 20 CBGD CCN(CC)CCC(=O)NNC(=S)NCCN(C)C 916127038 WZBHVDIMMXUWCK-UHFFFAOYSA-N 289.449 -0.225 50 20 CBGD CC(C)S(=O)(=O)CC(=O)NNC(=O)c1ccncc1 917525663 GRWIIZMGRWYOCQ-UHFFFAOYSA-N 285.325 -0.334 50 20 CBGD CCCCNC(=O)NN=Cc1cn(C)c(=O)n(C)c1=O 920750770 LVOGHXWALPWYHP-UHFFFAOYSA-N 281.316 -0.483 50 20 CBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)Cc1cccnc1 931968946 XZWWTCSAFPRKCZ-GHMZBOCLSA-N 291.307 -0.029 50 20 CBGD COCCN(C)NC(=O)Nc1nnn(C(C)C)n1 933457875 WDWQMUQXTVCMFW-UHFFFAOYSA-N 257.298 -0.131 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(CO)CCOCC1 1118214567 SJYAOLOCNYOUQW-NXEZZACHSA-N 286.328 -0.652 50 20 CBGD C[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)[C@H]1CN(C)CCO1 1118805625 GGXBVUUDEISLRY-PSASIEDQSA-N 296.331 -0.927 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CCC=CO1 1255360040 KWUQJPSNZISSKF-ZETCQYMHSA-N 257.246 -0.818 50 20 CBGD CCc1[nH]ccc1C(=O)NNC(=O)CS(C)(=O)=O 1261835060 HNJJGEAZBWMJKT-UHFFFAOYSA-N 273.314 -0.617 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)NCC2CC2)nc1 1318098836 RGFCJPZXAZAQEY-UHFFFAOYSA-N 277.284 -0.466 50 20 CBGD CCc1nn(C)cc1NC(=O)C(=O)NNC(=O)C1CC1 1320224856 YCFLLWAZALSGSH-UHFFFAOYSA-N 279.300 -0.522 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cc(-c2ccco2)nn1C 1320871248 QFXBJIKPIXUZAI-UHFFFAOYSA-N 291.267 -0.214 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(O)n1 1324230353 ZELIHOKMMXFRTA-ZETCQYMHSA-N 281.268 -0.110 50 20 CBGD CS/C=C/C(=O)NNC(=O)CS(C)(=O)=O 1329209516 ZJCCEGXTMZYHGC-ONEGZZNKSA-N 252.317 -0.945 50 20 CBGD Cn1cnnc1COCC(=O)NNc1ccccn1 1343962705 ZSPHGHUKJUHFES-UHFFFAOYSA-N 262.273 -0.130 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)NCCc2nc(N)n[nH]2)cn1 1347783587 BUIZRJAXSDRWIF-WTKPLQERSA-N 286.299 -0.614 50 20 CBGD C[C@@H]1COCC1=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1 1550191844 IKTRBKPPZQOWHH-SCVCMEIPSA-N 267.329 -0.012 50 20 CBGD O=C(O)CN1CCC[C@H](C(=O)NNc2ccccn2)C1=O 1574719452 KKRXGUSIXLERNA-SECBINFHSA-N 292.295 -0.152 50 20 CBGD COc1ccc(C=O)cc1C(=O)NNC(=O)[C@H]1CCN1 1579203506 KAZUUFUGIJFATQ-SNVBAGLBSA-N 277.280 -0.369 50 20 CBGD C[C@H](C(=O)O)C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1588574086 WJGNITJLPYIHRR-LXGUWJNJSA-N 256.258 -0.578 50 20 CBGD CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1C 1588869789 DZSLMJRXSOAGIB-UHFFFAOYSA-N 260.257 -0.044 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cnccc1-c1nn[nH]n1 1589999643 ABIRDRWMEKMUGY-SSDOTTSWSA-N 277.288 -0.781 50 20 CBGD CN(C)C(=O)NNC(=O)Cc1ccc(-c2nn[nH]n2)nc1 1591003681 MNKHBIOXYWCCHA-UHFFFAOYSA-N 290.287 -0.893 50 20 CBGD O=C(O)C[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 1594984616 PPCRQKFJJUEORR-LBPRGKRZSA-N 291.112 -0.164 50 20 CBGD O=C(O)CCCNC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1595050285 SRJUZTWSHHWKTO-IWSPIJDZSA-N 285.300 -0.251 50 20 CBGD COCC1(CNC(=O)NNC(=O)C(=O)O)CCCCC1 1599198261 FYZHCVCWNFZTRZ-UHFFFAOYSA-N 287.316 -0.002 50 20 CBGD Cc1cc(Cl)ccc1NC(=O)C(=O)NNC(=O)C(=O)O 1600219538 FRZWSDOKSVQZHQ-UHFFFAOYSA-N 299.670 -0.181 50 20 CBGD O=C(CN1CCCNCC1)NNC(=O)c1cccs1 37399875 NALOHXDWGDLDRQ-UHFFFAOYSA-N 282.369 -0.196 50 20 CBGD O=C(Cc1cccnc1)NNC1=c2ccccc2=NC1=O 39643993 SAWYWRLXEBDRDU-UHFFFAOYSA-N 280.287 -0.787 50 20 CBGD CC(C)C(=O)NCCNC(=O)NNc1cccnn1 77340861 XJZYFIOFRPDOEL-UHFFFAOYSA-N 266.305 -0.125 50 20 CBGD O=C(NNc1ncccn1)N[C@H]1CC(=O)N(C2CC2)C1 79051304 GZUWKMGCPUPABH-QMMMGPOBSA-N 276.300 -0.134 50 20 CBGD Cn1ccc(/C=C/C(=O)NNC(=O)C(C)(C)O)c1 278010636 RUGACFYVBCEMNK-SNAWJCMRSA-N 251.286 -0.043 50 20 CBGD CCCC[C@@H](NC(N)=O)C(=O)NNC(=O)C(C)(C)O 278063855 YQWPSGMPINDLBK-SSDOTTSWSA-N 274.321 -0.868 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cncc(Cl)n2)CC1 278569471 IIEWKDANWGDEKM-UHFFFAOYSA-N 298.734 -0.268 50 20 CBGD COC(=O)c1coc(S(=O)(=O)NN(C)C(=O)OC)c1 288891580 INIWLTLREVCCJN-UHFFFAOYSA-N 292.269 -0.042 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)C(C)(F)F 292888859 WKPYOSGYQKEATH-ZCFIWIBFSA-N 265.260 -0.050 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H]2CC(=O)N(C)C2)O1 293776890 BENOGTHHSAGPEK-YIZRAAEISA-N 269.301 -0.820 50 20 CBGD CC(=O)NNC(=O)Cn1c(=O)cnc2ccccc21 301217359 ALCURFUOZFBMIK-UHFFFAOYSA-N 260.253 -0.436 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CCN(CCO)CC1 490783610 RPLOTORMFPGJHP-KHPPLWFESA-N 253.302 -0.433 50 20 CBGD CCN1CCC[C@@H]1CNC(=O)c1ccc(B(O)O)c(F)c1 584925446 HAKJXNCAILZQHK-LLVKDONJSA-N 294.135 -0.280 50 20 CBGD CN(C(=O)c1cc(B(O)O)ccc1F)C1CCOCC1 584956174 XLSFFTQANZBNAA-UHFFFAOYSA-N 281.092 -0.244 50 20 CBGD CCO[C@@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)[C@H]1OC 584976643 SJRKHQPELRQPCG-JHJVBQTASA-N 293.128 -0.711 50 20 CBGD CN1CCC[C@H](CCNC(=O)c2ccc(B(O)O)cc2)C1 584998949 TTYRJHRZKVHMEO-GFCCVEGCSA-N 290.172 -0.172 50 20 CBGD CC[C@H](CCO)CNCc1ccc(B(O)O)cc1 585028949 SXCMRNLDQSBXBI-LLVKDONJSA-N 251.135 -0.135 50 20 CBGD CN1CC=C(CNCc2ccccc2B(O)O)CC1 585033307 AWZRCSSYOWFLSX-UHFFFAOYSA-N 260.146 -0.282 50 20 CBGD CC(C)N1CC[C@H](CNCc2ccc(B(O)O)o2)C1 585040475 KXEYDCITEONHSW-LLVKDONJSA-N 266.150 -0.221 50 20 CBGD O=C1C[C@@H](NCc2cccc(B(O)O)c2)[C@H]2CCCCN12 585042510 SNLHEQVODQZWIZ-ZIAGYGMSSA-N 288.156 -0.391 50 20 CBGD CCn1nc(C)c(CNCc2cccc(B(O)O)c2)n1 585048779 WEFRWUIXYOQVGH-UHFFFAOYSA-N 274.133 -0.424 50 20 CBGD O=S(=O)(NCB(O)O)C1=Cc2ccccc2CC1 585055151 YMHVIJARKAEDFK-UHFFFAOYSA-N 267.115 -0.095 50 20 CBGD COC[C@@H](C)CS(=O)(=O)N1CC[C@H](B(O)O)C1 585058555 ISKIUCJPLZKNCI-BDAKNGLRSA-N 265.140 -0.853 50 20 CBGD COc1ccc(-c2cc(C(=O)NCB(O)O)n[nH]2)cc1 585060127 AVIHIVRXWJWRQE-UHFFFAOYSA-N 275.073 -0.173 50 20 CBGD CC(=O)N[C@@H](C(=O)N1CC[C@@H](B(O)O)C1)C1CCCC1 585072800 RPBNVQOGVCGKGY-VXGBXAGGSA-N 282.149 -0.243 50 20 CBGD O=C(NCCn1cccn1)NNC(=O)c1ccc[nH]1 734279527 UJYUJSSJJHQPNA-UHFFFAOYSA-N 262.273 -0.145 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(C(=O)O)cc1 737360735 NMOKWTHZGGJZIL-UHFFFAOYSA-N 265.269 -0.293 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CCOC[C@H]1OCC 760131244 KKPZBTXSLWAMAC-VHSXEESVSA-N 289.332 -0.453 50 20 CBGD CCCn1cc(C(=O)NNC(=O)c2c[nH]nc2C)nn1 766868208 FNXVXFOIQLFVRT-UHFFFAOYSA-N 277.288 -0.206 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)C2(NC(N)=O)CC2)cc1 767334530 NKDQEISZAXUUPL-UHFFFAOYSA-N 287.279 -0.480 50 20 CBGD CC(C)(C(N)=O)C(=O)NNC(=O)NCc1ccco1 767723580 QBFSQHAYIJSIFC-UHFFFAOYSA-N 268.273 -0.379 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@@H]1CCOC1 772143666 RCKQTAPGBOPUJC-BDAKNGLRSA-N 272.301 -0.098 50 20 CBGD CC(=O)CCCC(=O)NNC(=O)c1cnn(C)c1 773062323 OOFVAWSCGAKHFO-UHFFFAOYSA-N 252.274 -0.060 50 20 CBGD CCCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)CO 777781516 XRIQYUFIDQLDDR-SECBINFHSA-N 271.317 -0.693 50 20 CBGD C[C@H](O)[C@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)C1 780354082 KBMDVGCCXZETBT-UWVGGRQHSA-N 271.361 -0.117 50 20 CBGD CCNC(=O)N(C)NC(=O)CN(C)C(=O)C1CC1 780708205 GUSCRCVPGXJRJM-UHFFFAOYSA-N 256.306 -0.453 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cnn2cccnc12 787949715 NXKAHDIKKXFBLL-UHFFFAOYSA-N 263.257 -0.739 50 20 CBGD COc1ccc(CC(=O)NNC(=O)N(C)C)nc1 789915880 UELRGMJIZPMLMF-UHFFFAOYSA-N 252.274 -0.065 50 20 CBGD NC(=O)C(=O)NN=CCc1ccc([N+](=O)[O-])cc1 792882033 CJWZPYFYIQNQAB-UHFFFAOYSA-N 250.214 -0.275 50 20 CBGD CN(C)CC(=O)NNC(=O)CCCCN1CCOCC1 795071590 YHWMNYXLRJTDRY-UHFFFAOYSA-N 286.376 -0.802 50 20 CBGD NC(=O)NCCC(=O)NNC(=O)Nc1ccccc1 801986532 AAPNIVDWSANMBE-UHFFFAOYSA-N 265.273 -0.102 50 20 CBGD COc1cncc(C(=O)NNC(=O)N2CCN(C)CC2)n1 807381154 GEGJXPPPSCFAJG-UHFFFAOYSA-N 294.315 -0.913 50 20 CBGD NNC(=O)c1cccc(N2CCCS2(=O)=O)c1 822219921 WTQRECPGARWDQD-UHFFFAOYSA-N 255.299 -0.170 50 20 CBGD CCN(CCO)NC(=O)c1cnc2sccn2c1=O 823838154 LXCHKJLZQQOZPH-UHFFFAOYSA-N 282.325 -0.285 50 20 CBGD C[C@H](CO)N(C)NC(=O)CCSc1nnnn1C 823970460 HDUIAFQRJQCOOH-SSDOTTSWSA-N 274.350 -0.964 50 20 CBGD COc1cc(C)nc(NNC(=O)C[C@H]2CCC(=O)N2)n1 829489057 ZUIIIRYQWKTNOI-MRVPVSSYSA-N 279.300 -0.095 50 20 CBGD COCCN(C)NC(=O)[C@](C)(O)Cn1ccccc1=O 848378469 SKVINHQBIXVYTN-CYBMUJFWSA-N 283.328 -0.791 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCOC(F)(F)F)N1 858385674 XVCHLBSXZOVNMH-YFKPBYRVSA-N 298.221 -0.868 50 20 CBGD COc1cccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 861204095 DPHRQKBVKOGSFB-SSDOTTSWSA-N 293.283 -0.479 50 20 CBGD O=C(Cc1cccc(F)c1F)NNC(=O)[C@H]1CCC(=O)N1 862455311 FGOYOWJKYXSLSN-SECBINFHSA-N 297.261 -0.067 50 20 CBGD CC(C)(CCC(=O)NNC(=O)[C@H]1CCC(=O)N1)[N+](=O)[O-] 862460691 KCYINPAXILLIDH-SSDOTTSWSA-N 286.288 -0.752 50 20 CBGD Cc1[nH]c(C=NNC(=O)[C@H]2CCC(=O)N2)cc1C(=O)O 863152763 FOZROHVFWWSCFZ-SECBINFHSA-N 278.268 -0.250 50 20 CBGD COC(=O)[C@@H](NC(=O)c1cccc(B(O)O)c1)C(C)C 863869436 NHOVUTPVJZIIII-NSHDSACASA-N 279.101 -0.706 50 20 CBGD CN(C(=O)c1cccc(B(O)O)c1)[C@H]1CCCCNC1=O 865118562 FPOSUBOJXXHHSS-LBPRGKRZSA-N 290.128 -0.893 50 20 CBGD CCN(CC(=O)N(C)C)C(=O)c1cc(B(O)O)ccc1F 865174414 AYIOTZZILGVGHW-UHFFFAOYSA-N 296.107 -0.944 50 20 CBGD Cc1cc(=NNC(=O)NCC[S@@](C)=O)cc[nH]1 875311691 IPDQULZKOXKWDZ-QGZVFWFLSA-N 256.331 -0.183 50 20 CBGD COC[C@@H]1CCCN1C(=O)NNC(=O)c1cccnn1 883853860 SFVXTQJRYDHIMS-VIFPVBQESA-N 279.300 -0.058 50 20 CBGD C#CCCCC(=O)NNC(=O)c1cn(C)nc1OC 887153407 UKMAQHZSIAGAIW-UHFFFAOYSA-N 264.285 -0.007 50 20 CBGD COc1cc(OC)nc(C(=O)NN(C)C[C@H](C)O)n1 910184741 VEXAGRTXFCHLEF-ZETCQYMHSA-N 270.289 -0.549 50 20 CBGD COCC(=O)NCCC(=O)NNC(=O)c1ccccc1 1116053896 BGDYWRSFAPBTBZ-UHFFFAOYSA-N 279.296 -0.400 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNc1nncc(N)c1Cl 1116408105 BINZDUWOUQCNMH-BYPYZUCNSA-N 288.695 -0.100 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(CN(C)C)on1 1118219566 ULDCXTZJCMWEOQ-PSASIEDQSA-N 296.327 -0.078 50 20 CBGD O=C(CCO)NNC(=O)Nc1ccnn1CC1CC1 1255199715 PRNZDTWWKDQKGR-UHFFFAOYSA-N 267.289 -0.172 50 20 CBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)OC(C)(C)C 1263700467 XPUKTMIYYJFVNH-ZJUUUORDSA-N 284.360 -0.069 50 20 CBGD CN(C)C(=O)NNC(=O)c1sccc1-n1cnnn1 1318043168 QMPQHRZOCTUARU-UHFFFAOYSA-N 281.301 -0.360 50 20 CBGD C[C@H](C(=O)NNC(=O)c1cnn(C)c1)n1ccnc1 1318620781 KBEDVDLAXPKKRC-MRVPVSSYSA-N 262.273 -0.361 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCCOCC1CC1 1319300163 SDPLATLTDYPMHT-UHFFFAOYSA-N 273.289 -0.694 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cnc(Cl)n1C 1319379613 KCGZFVRJIOSNMA-UHFFFAOYSA-N 267.698 -0.804 50 20 CBGD CN(NC(=O)c1ccc(CNC(N)=O)cc1)C(N)=O 1319726515 IMDGHUHVFKCLAC-UHFFFAOYSA-N 265.273 -0.490 50 20 CBGD CC(C)C(=O)NNC(=O)c1c([N+](=O)[O-])cnn1C 1319983343 FATGESSMOWIDSG-UHFFFAOYSA-N 255.234 -0.255 50 20 CBGD CN(NC(=O)c1ccc(F)c(S(N)(=O)=O)c1)C(N)=O 1320143939 WPEVBCNXDOQABM-UHFFFAOYSA-N 290.276 -0.872 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CCSC1 1322339994 UFZZDKNBPPRBAU-ZCFIWIBFSA-N 261.303 -0.757 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@]1(F)CCOC1 1323182520 JETSAAUYPCUTII-LBPRGKRZSA-N 267.260 -0.100 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CC(C)(C)OC1(C)C 1323564409 SMQUTWBVICTYQX-ZETCQYMHSA-N 287.316 -0.164 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)CC3OCCO3)nc21 1324984201 AYYATEKNKPFZLM-UHFFFAOYSA-N 294.271 -0.725 50 20 CBGD Cc1nn(C)c(C)c1CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329172991 RATVKDGLCKXUNZ-JTQLQIEISA-N 293.327 -0.995 50 20 CBGD NC(=O)CSCC(=O)NNC(=O)OCC(F)(F)F 1329416954 OXUNVELZDZRVQZ-UHFFFAOYSA-N 289.235 -0.475 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCC(=O)NC1 1329537879 FWYOIGQVNCPSNJ-XHNCKOQMSA-N 269.301 -0.915 50 20 CBGD CCNC(=O)NNC(=O)Cc1nc(C2CC2)nn1C 1329543786 YZMYBNQJXQDRBI-UHFFFAOYSA-N 266.305 -0.415 50 20 CBGD CNC(=O)CCSCC(=O)NNC(=O)C1CC1 1329630286 GTJLHXQRZKOTOV-UHFFFAOYSA-N 259.331 -0.587 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cn(C)nn1 1332574827 XPLMYTRZHSVRIZ-APPZFPTMSA-N 282.304 -0.930 50 20 CBGD C[C@@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)S(C)(=O)=O 1334587737 HEWLOKAOQHOVOR-AXNBSVLLSA-N 296.352 -0.124 50 20 CBGD O=C(NNc1ncncc1F)[C@@H]1CCc2nncn2C1 1343996574 DJVXSFYEYOHKMN-SSDOTTSWSA-N 277.263 -0.087 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1cccc(O)c1 1348435522 FTBZIPQGCZAFIN-UHFFFAOYSA-N 286.309 -0.873 50 20 CBGD O=C(CC1COC1)NNC(=O)NCC(F)(F)F 1354015662 NGTGSHYICYSBKB-UHFFFAOYSA-N 255.196 -0.084 50 20 CBGD CN(C)C(=O)Cn1cc(C(=O)N2CC=C(C#N)CC2)nn1 1362253263 JNGHOKCPVIEUSI-UHFFFAOYSA-N 288.311 -0.338 50 20 CBGD O=C(Cc1ccsc1)NNC(=O)[C@H]1CC(C(=O)O)=NO1 1574537822 LKTBPKXDEMAMQG-MRVPVSSYSA-N 297.292 -0.333 50 20 CBGD CS(=O)(=O)C1CCC(C(=O)NNC(=O)CCN)CC1 1579335476 HFLPUOSSKISZPY-UHFFFAOYSA-N 291.373 -0.914 50 20 CBGD Cc1cc(CCC(=O)NNC(=O)[C@@H]2CCCNC2)n[nH]1 1579589463 HTMXMYRUAVOCDL-SNVBAGLBSA-N 279.344 -0.202 50 20 CBGD NCc1ncc(C(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)s1 1580354625 AIOQBDIQIJLALR-BWZBUEFSSA-N 296.352 -0.070 50 20 CBGD CC(C)(C(=O)O)C(=O)NNC(=O)C(=O)Nc1ccccn1 1588618592 WIAGMSUZMTTXDU-UHFFFAOYSA-N 294.267 -0.722 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc(C(=O)O)nc1 1593686569 LLBHAZASUOTGGN-UHFFFAOYSA-N 252.230 -0.304 50 20 CBGD CCOC(=O)NNS(=O)(=O)c1ccc(C(=O)O)nc1 1596664635 CPBPLNJRVHFTOQ-UHFFFAOYSA-N 289.269 -0.281 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@H](C(=O)O)[C@@H]1C 1603706465 UTHWTFIUYBXOIK-IUCAKERBSA-N 271.317 -0.415 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H]1CCN(C(=O)CC)C1 133793565 GCNQFLIAAUTDNQ-SECBINFHSA-N 270.333 -0.015 50 20 CBGD CC[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)N(C)C 157376595 MMXVCVMCUSLNFC-SECBINFHSA-N 270.333 -0.904 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc(C2CC2)[nH]n1 170796774 MSOGKFMSTAFSKQ-UHFFFAOYSA-N 251.290 -0.390 50 20 CBGD C[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)C1CC1 175288256 IHQWURKRJBHKBZ-MRVPVSSYSA-N 253.302 -0.198 50 20 CBGD O=C(CO)NNC(=O)c1ccc(-n2cccn2)cc1 180961726 ZQGAWVCDTYQUGQ-UHFFFAOYSA-N 260.253 -0.374 50 20 CBGD CN(NC(=O)Cn1c(=O)n(C)c2ccccc21)C(N)=O 272238622 WXRPWWAUWKQOMA-UHFFFAOYSA-N 277.284 -0.618 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCNC(=O)c1ccn[nH]1 272977564 LMXBOMQXJHWTRN-CMDGGOBGSA-N 277.284 -0.300 50 20 CBGD C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)c2cnn(C)c2)O1 281829805 IDQGMLNWZQPKOR-NQMVMOMDSA-N 266.301 -0.005 50 20 CBGD COc1cc(C(=O)NNC(=O)N2CCN(C)CC2)nn1C 287706572 DYOUOMWCPLOVBE-UHFFFAOYSA-N 296.331 -0.970 50 20 CBGD C[C@@H](Cn1cccn1)NC(=O)NNC(=O)[C@@H]1CCCO1 291745384 ZEVVRPZZDPHGOV-UWVGGRQHSA-N 281.316 -0.219 50 20 CBGD COC(=O)N(C)NC(=O)[C@@]1(C)CCN(C(C)=O)C1 375982965 DXVLJPWYMDAFHU-NSHDSACASA-N 257.290 -0.026 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1C[C@H]2C=C[C@H]1N(C(=O)OC)C2 496039490 AUKMTAAIVJXDFP-OPRDCNLKSA-N 296.327 -0.020 50 20 CBGD C[C@@H](O)[C@@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584964863 MHRNNZAJNFFMBX-MWLCHTKSSA-N 295.119 -0.262 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@H](CCO)C1 584966110 UVYQAQZWNADKKH-SECBINFHSA-N 281.092 -0.650 50 20 CBGD C/C=C/C[C@@H](CO)NC(=O)c1ccc(B(O)O)c(F)c1 584978153 QXHMSQIIPIAINK-PBKGFPTLSA-N 281.092 -0.438 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCCCN1 584988871 HNDMZPYFFSKWNJ-UHFFFAOYSA-N 252.054 -0.754 50 20 CBGD C[C@@H](CC(C)(C)O)NC(=O)c1cccc(B(O)O)c1 584996002 URZSOKRTBLNQPG-VIFPVBQESA-N 265.118 -0.354 50 20 CBGD CN(C)C(C)(C)CNCc1ccc(B(O)O)cc1F 585014446 RLAKDIPFNMNWIF-UHFFFAOYSA-N 268.141 -0.065 50 20 CBGD OB(O)c1ccc(CNCCCOCC2CC2)o1 585014733 CFPDPQWKPFCUPR-UHFFFAOYSA-N 253.107 -0.134 50 20 CBGD OB(O)c1ccc(CN[C@@H]2c3ccccc3C[C@@H]2O)o1 585018798 SRLMKPFLBXREKR-GXTWGEPZSA-N 273.097 -0.293 50 20 CBGD OB(O)c1ccc(CNC[C@@]2(O)CCc3ccccc32)o1 585029070 CJAQYFKVTXQYSV-HNNXBMFYSA-N 287.124 -0.117 50 20 CBGD C[C@@H](CNCc1ccc(B(O)O)cc1F)S(C)(=O)=O 585032634 XKMPXZHATJLSGN-QMMMGPOBSA-N 289.137 -0.972 50 20 CBGD C[C@@H]1NC(=O)CC[C@@H]1CNCc1ccc(B(O)O)cc1F 585046802 WEDUTBPKUXKOGR-VHSXEESVSA-N 294.135 -0.490 50 20 CBGD OB(O)c1cccc(-c2noc([C@@H]3CCOC3)n2)c1 585054416 VDEOEPJBXKPLMA-SECBINFHSA-N 260.058 -0.080 50 20 CBGD C[C@H](C(=O)NCB(O)O)N(C)Cc1ccccc1 585060917 HRHWGBKZNLAPSL-SNVBAGLBSA-N 250.107 -0.365 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cnccn1 734748336 LMBPJMLZJHVPMN-MRVPVSSYSA-N 285.329 -0.746 50 20 CBGD O=C(O)CSCCC(=O)NNC(=O)NCC1CC1 739846855 RYMRJWMKQQUJQR-UHFFFAOYSA-N 275.330 -0.065 50 20 CBGD O=C(C[C@@H]1CCCO1)NNC(=O)N1CCOCC1 745986441 VBGDHFBXOQTURZ-VIFPVBQESA-N 257.290 -0.372 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CCCn1cccn1 749160477 YEAQWTJHOPFCFA-UHFFFAOYSA-N 281.316 -0.665 50 20 CBGD COC(=O)c1ccc(NNC(=O)c2cnn(C)c2N)nc1 758407644 KCCNHQXIXACXKW-UHFFFAOYSA-N 290.283 -0.059 50 20 CBGD COC(=O)[C@@H](NCC(=O)NNC(=O)C1CC1)C(C)(C)C 759727600 XAZBSTVUJAJFPB-SNVBAGLBSA-N 285.344 -0.279 50 20 CBGD CNc1c(C(=O)NNC(=O)CO)cccc1[N+](=O)[O-] 765866790 PAIVLENACPHEOE-UHFFFAOYSA-N 268.229 -0.610 50 20 CBGD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NNc1ccnc(F)c1 781368727 UCVWMRQOHOSWHF-HQJQHLMTSA-N 296.302 -0.061 50 20 CBGD COC1(C(=O)NNc2nccn(C)c2=O)CCC1 782119803 XXLSIWICBLQXFM-UHFFFAOYSA-N 252.274 -0.208 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H]2C[C@]2(CO)C1 782606468 RUYXTJIURAONPR-HOTUBEGUSA-N 255.318 -0.754 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CCc2nccn2C1 786828333 UNIUMNNBRNTEFX-MRVPVSSYSA-N 251.290 -0.204 50 20 CBGD Cc1cc(C)c(C(=O)NNC(=O)C(C)(C)O)c(O)n1 787947101 JNGJVNRWSFMDOI-UHFFFAOYSA-N 267.285 -0.064 50 20 CBGD CCOCCC=NNC(=O)[C@H]1CCS(=O)(=O)C1 788422331 PRSYIFBYHFJXRG-VIFPVBQESA-N 262.331 -0.050 50 20 CBGD CCOCC(=O)NNC(=O)NCC1([S@](C)=O)CC1 799714154 IPFDRMJKPLBFIL-SFHVURJKSA-N 277.346 -0.736 50 20 CBGD O=C(CN1CCC[C@@H](n2ccnn2)C1)NNC(=O)C1CC1 823468613 IZQOKGIGVUIROH-LLVKDONJSA-N 292.343 -0.528 50 20 CBGD CCN(CCO)NC(=O)c1ccc(C(N)=O)s1 823856259 OEWGCMVCUZNCAB-UHFFFAOYSA-N 257.315 -0.194 50 20 CBGD O=C(NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1)C(=O)NC1CC1 833149131 GDEUSGKPCOTGRS-HTQZYQBOSA-N 297.311 -0.697 50 20 CBGD CC(C)C(=O)NNS(=O)(=O)c1cc(C(=O)O)co1 833467966 ZLIILCPUZMSLAX-UHFFFAOYSA-N 276.270 -0.057 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc2n(n1)CCO2 843652632 BLBGTBJTARBCDZ-YUMQZZPRSA-N 280.284 -0.539 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cncnc1 843655161 IFDNNNRTXUPOBB-APPZFPTMSA-N 250.258 -0.337 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CNCC(F)(F)F 843971556 CHJYMRPKFSUISN-BQBZGAKWSA-N 283.250 -0.289 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CNC(=O)C(C)(C)C 843971938 CMAZSKGHEJJNMA-RKDXNWHRSA-N 285.344 -0.279 50 20 CBGD CNC(=O)NNS(=O)(=O)C[C@@H](OC)C1CCCC1 849307524 XHSGFVKKCKWZDW-SECBINFHSA-N 279.362 -0.045 50 20 CBGD COCCCNC(=S)N(C)NC(=O)CC1OCCO1 854283750 JHXUEPCFPNCDIR-UHFFFAOYSA-N 291.373 -0.377 50 20 CBGD CCN(CC(=O)NNC(=O)c1cc[nH]n1)C1CC1 855357155 BSRPHAUGDTTYQQ-UHFFFAOYSA-N 251.290 -0.345 50 20 CBGD CCNC(=O)NNC(=O)c1cnn(CCOCC)c1 857708753 XOCWCGQSXTYOKX-UHFFFAOYSA-N 269.305 -0.117 50 20 CBGD C[C@@H](NNC(=O)CCS(=O)(=O)N(C)C)C(F)(F)F 862315904 HACCDIWKMUYMGN-ZCFIWIBFSA-N 291.295 -0.161 50 20 CBGD CCCNC(=O)CCCC(=O)NNC(=O)c1cn[nH]c1 862472078 USOOHYXURRRPIS-UHFFFAOYSA-N 281.316 -0.133 50 20 CBGD COC(=O)CCCN(C)C(=O)c1ccc(B(O)O)cc1 863869352 LAPLBUNGZGHMMI-UHFFFAOYSA-N 279.101 -0.608 50 20 CBGD C[C@H](NNC(=O)c1cc(B(O)O)ccc1F)C(F)(F)F 863887614 PJLHAMFCIZCRAU-YFKPBYRVSA-N 294.013 -0.309 50 20 CBGD COCCOCC(=O)NNC(=O)C#CC(C)(C)C 869906058 VFGDTRKTQJZQOM-UHFFFAOYSA-N 256.302 -0.154 50 20 CBGD COc1cccc(C[C@H](O)C(=O)NN(C)C[C@H](C)O)c1 910157915 BHSQPVRNQIXIAI-GWCFXTLKSA-N 282.340 -0.058 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCCN1C(=O)C(F)(F)F 910158405 FBURTKYJPWYCFS-JGVFFNPUSA-N 297.277 -0.117 50 20 CBGD CC[C@](C)(OC)C(=O)NNC(=O)CN1CCCC1=O 913732709 HDRVOKJGXPFOEN-LBPRGKRZSA-N 271.317 -0.429 50 20 CBGD CC[C@@H](C)C(=O)NNC(=S)NCC(=O)N(C)C 918718259 CLAWFQBAEFNHDB-SSDOTTSWSA-N 260.363 -0.384 50 20 CBGD O=C(NC[C@H]1COCO1)NNC(=O)[C@@H]1CCCCO1 923841880 AKFUBFRBXUQKPY-IUCAKERBSA-N 273.289 -0.741 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 1116280188 PUJSRMGQXBFCHB-YIZRAAEISA-N 285.300 -0.553 50 20 CBGD COCCN(C)c1ccc(C=NNC(=O)C(=O)OC)cn1 1116744847 XFLJKHCXCSQKIZ-UHFFFAOYSA-N 294.311 -0.213 50 20 CBGD CCO/C=C(/C#N)C(=O)NCCc1nnc(N)o1 1117149519 SUAFGRKSZJFJHI-SREVYHEPSA-N 251.246 -0.246 50 20 CBGD COc1cc(NC(=O)NNC(=O)CCO)ccn1 1117356259 DWYDQMCULMYCLI-UHFFFAOYSA-N 254.246 -0.375 50 20 CBGD O=C(NNc1ccncn1)c1ccc(-c2nn[nH]n2)cn1 1158665196 FMUWDWQTFNOUDY-UHFFFAOYSA-N 283.255 -0.191 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)C3=COCC3)nc21 1253273234 TVACYELSUIPFHE-UHFFFAOYSA-N 276.256 -0.184 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNc1nnc(C)c(O)n1 1253782722 JLYPEBXIOWZQRT-BYPYZUCNSA-N 270.249 -0.927 50 20 CBGD Cc1c(C(=O)NNC(=O)Cc2cccnc2)nnn1C 1318684805 IVBRORFUPYOZHO-UHFFFAOYSA-N 274.284 -0.478 50 20 CBGD CNS(=O)(=O)[C@H]1CCCN(C(=O)CCl)C1 1324705978 FXDZCCUEMPEMKB-ZETCQYMHSA-N 254.739 -0.235 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)OCC(F)(F)F 1328495560 UOMYOSGVKVBFCL-UHFFFAOYSA-N 269.179 -0.415 50 20 CBGD O=C(c1ccc(N2CCCC2)nn1)N1CC[C@H](B(O)O)C1 1329215014 MEEQXZBCJKOPPH-JTQLQIEISA-N 290.132 -0.234 50 20 CBGD Cc1nc(C(=O)NNC(=O)C(=O)N2CCCC2)co1 1340018117 WIPPFOGEIWQCBB-UHFFFAOYSA-N 266.257 -0.634 50 20 CBGD CCc1c(C(=O)N2CC[C@@H](B(O)O)C2)cnn1C 1348490057 LPOQIXAGPNJRCD-MRVPVSSYSA-N 251.095 -0.329 50 20 CBGD COc1cc(NC(=O)C(=O)NNC(=O)C(C)(C)C)[nH]n1 1351569176 IXZKAHXDEVYHBM-UHFFFAOYSA-N 283.288 -0.450 50 20 CBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNc1ncc(Cl)cn1 1528619904 MJHBAGOFZNCEQK-SCZZXKLOSA-N 296.762 -0.039 50 20 CBGD CC(=O)N[C@@H](CCC(C)C)C(=O)NNC(=O)CCCN 1575003053 MYVKPXZALOJPJH-NSHDSACASA-N 286.376 -0.186 50 20 CBGD CC1(C)CC[C@@H](CNC(=O)NNC(=O)c2ncon2)NC1 1576417327 TWNVBADJIZHDRY-QMMMGPOBSA-N 296.331 -0.208 50 20 CBGD CC[C@@H]1NCC[C@@H]1C(=O)NNC(=O)c1ncon1 1577307240 ARXXKDAXUDIJSU-BQBZGAKWSA-N 253.262 -0.781 50 20 CBGD C#C[C@H](C)NC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1588326583 PVBUFFAMWXYXKW-ZETCQYMHSA-N 272.272 -0.091 50 20 CBGD C[C@H](CC(=O)O)NC(=O)NNC(=O)[C@H]1CCCCO1 1589000700 CXPWGEGDKCDCIS-HTQZYQBOSA-N 273.289 -0.251 50 20 CBGD CC(C)NC(=O)NNC(=O)c1cc(-c2nn[nH]n2)ccn1 1589724540 RAECAXKTVRCFSO-UHFFFAOYSA-N 290.287 -0.386 50 20 CBGD C[C@@](Cn1cccn1)(NS(=O)(=O)CCl)C(=O)O 1592926631 UKFFGYGOYTUQAP-QMMMGPOBSA-N 281.721 -0.158 50 20 CBGD O=C(O)COc1ccc(NC(=O)NNC(=O)CO)cc1 1602086966 QAVGYRVROCASOA-UHFFFAOYSA-N 283.240 -0.705 50 20 CBGD O=C1C[C@H](C(=O)NNc2cccc(C(=O)O)c2F)N1 1602630798 CSRHEABKRRAWNZ-SSDOTTSWSA-N 267.216 -0.145 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@H](C(=O)O)C1CC1 1605723848 RXLXJTVJUAVGCI-LLVKDONJSA-N 277.280 -0.118 50 20 CBGD COC(=O)[C@@H](CC(=O)O)NS(=O)(=O)CCCCl 1606326612 ZNSAJCVEXYPJPF-ZCFIWIBFSA-N 287.721 -0.449 50 20 CBGD O=C(NNC(=O)C1CCCCC1)C(=O)NC1CC1 9889590 HVYQCYGQCAKJMW-UHFFFAOYSA-N 253.302 -0.007 50 20 CBGD CN(CC(=O)NNC(=O)c1ccccc1)S(C)(=O)=O 46116016 ZTYNFGGXSNUOKJ-UHFFFAOYSA-N 285.325 -0.661 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)CC(=O)N(C)C 109826606 GEBCNBFVFUQUAD-JTQLQIEISA-N 286.376 -0.412 50 20 CBGD CC1CCN(CC(=O)NNC(=O)N2CCOCC2)CC1 178054769 XRZBGZFINCPMLW-UHFFFAOYSA-N 284.360 -0.209 50 20 CBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)Cn1nc(C)cc1C 268138010 HCFZSTKVLIPRNG-MRVPVSSYSA-N 296.327 -0.153 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)NC1CCCCC1 270541612 XIYKZTAWCOQVTO-UHFFFAOYSA-N 271.321 -0.422 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc(O)cc([N+](=O)[O-])c1 272523370 LPPSOHRBEMMNTD-UHFFFAOYSA-N 282.256 -0.377 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=O)N=c1cc[nH]cc1 495789730 XWBMKVGYSUZPBM-UHFFFAOYSA-N 281.272 -0.646 50 20 CBGD CCCC[C@H](NC(N)=O)C(=O)Nc1cccc(B(O)O)c1 584909729 HUWSXRRQUPNIOF-NSHDSACASA-N 293.132 -0.468 50 20 CBGD CCN1C[C@H](C)N(C(=O)c2cccc(B(O)O)c2)C[C@@H]1C 584968796 OASZYEUYBMOZRA-RYUDHWBXSA-N 290.172 -0.079 50 20 CBGD C[C@H]1CSC[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584988763 UBFMTECGMVJBAB-CPCISQLKSA-N 283.133 -0.013 50 20 CBGD CC[C@H](NC(=O)c1ccc(B(O)O)cc1)[C@@H](C)O 584998152 NGXAHHLSEFLQRJ-KCJUWKMLSA-N 251.091 -0.744 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1)C(=O)NC(C)(C)C 585022653 VBAMZGYTALFDQM-JTQLQIEISA-N 278.161 -0.241 50 20 CBGD C[C@@]1(CNCc2ccc(B(O)O)cc2)CCC(=O)N1 585044899 WYXLVXBCEAHAIA-ZDUSSCGKSA-N 262.118 -0.875 50 20 CBGD O=C(NCB(O)O)C(=O)c1cnn(-c2ccccc2)c1 585059818 BVCVCUPROOFVOH-UHFFFAOYSA-N 273.057 -0.817 50 20 CBGD O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CC[C@H](B(O)O)C1 585076774 ZKZIREVLJRRGLK-BDAKNGLRSA-N 266.106 -0.927 50 20 CBGD C[C@H](O)CNc1cc(N2CC[C@H](B(O)O)C2)ncn1 585078974 QQJOYTWZNGCVDV-IUCAKERBSA-N 266.110 -0.678 50 20 CBGD CCOCC(C)=NNC(=O)N[C@H]1CCS(=O)(=O)C1 726419914 HWBMROPFMHPYGC-VIFPVBQESA-N 277.346 -0.115 50 20 CBGD CC(=O)N[C@@H](C(=O)NNC(=O)Cc1cccnc1)C(C)C 728856696 VKJHRMXNFKMFBD-CYBMUJFWSA-N 292.339 -0.068 50 20 CBGD CCCNC(=O)CNC(=O)NNC(=O)Cc1cccnc1 728942691 ZRUYFNFWSNAWJA-UHFFFAOYSA-N 293.327 -0.519 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cnsn1 745986472 WXYUEBKPYVLFCK-UHFFFAOYSA-N 257.275 -0.775 50 20 CBGD O=C(CCn1cccc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 746103239 ROWDGJSNSSAGSG-SNVBAGLBSA-N 299.352 -0.540 50 20 CBGD CO[C@@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)C1 752321253 IGQNUTZLXCPINU-SECBINFHSA-N 257.334 -0.099 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cnc2c(c1)nnn2C 758442205 NVBBWGRBNYMZJG-UHFFFAOYSA-N 277.288 -0.331 50 20 CBGD CN(C)N(C(=O)[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 764158302 HNRXHQZLXXEBHV-UWVGGRQHSA-N 276.358 -0.342 50 20 CBGD Cc1cc(Cl)ccc1NC(=O)C(=O)NNC(=O)CO 764422790 YXTQYWZMUINPGO-UHFFFAOYSA-N 285.687 -0.273 50 20 CBGD COCCCNC(=O)NNC(=O)C1(O)CCSCC1 764880279 IMYTXDCPXOVAKW-UHFFFAOYSA-N 291.373 -0.389 50 20 CBGD Cc1cc(C(=O)NNC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 768273227 AIWXFKIRTZMDFU-UHFFFAOYSA-N 293.243 -0.716 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@](C)(O)C(C)C 771107626 WHHJLCGCTNDUOE-LLVKDONJSA-N 259.306 -0.935 50 20 CBGD C=Cn1cc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cn1 773056327 VMEDZNGOVPXECH-SNVBAGLBSA-N 297.340 -0.196 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ncccc2O)CC1 773672196 GBOYDPVJEPCGCY-UHFFFAOYSA-N 279.300 -0.611 50 20 CBGD COc1ccc(O)c(S(=O)(=O)NNC(=O)N(C)C)c1 775673777 VSQXHZKXXKWMSM-UHFFFAOYSA-N 289.313 -0.135 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)[C@]1(C)CCCO1 782221559 MLUJKDWJQORYEL-KCJUWKMLSA-N 291.373 -0.015 50 20 CBGD CC(C)[C@H](F)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 784780560 BPUNFGREAKECRS-RQJHMYQMSA-N 283.325 -0.934 50 20 CBGD CC(=O)NNC(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 792773352 GDWNZUXCXWPEIO-UHFFFAOYSA-N 299.352 -0.353 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCc2ccn(C)n2)n[nH]1 794392153 GZQNUKSISVNRJN-UHFFFAOYSA-N 276.300 -0.155 50 20 CBGD C=CCNC(=S)NNC(=O)CCCC(=O)NCC 798305065 RQMQMLGBSAAVCS-UHFFFAOYSA-N 272.374 -0.026 50 20 CBGD Cc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)nc1 807382839 RELRGFILXBMBMG-UHFFFAOYSA-N 277.328 -0.008 50 20 CBGD NC(=O)c1cc(C(=O)NNC(=O)CC2CC2)c[nH]1 819123472 ZAMZBCHRJHPRQJ-UHFFFAOYSA-N 250.258 -0.325 50 20 CBGD CCc1cc(C(=O)NNC(=O)C(C)(C)O)n(C)n1 822311733 MIGBVQSRRDUBJD-UHFFFAOYSA-N 254.290 -0.486 50 20 CBGD COC(=O)COCC(=O)NNC(=O)NCc1ccco1 823793675 QYOOBCCRNCVWLN-UHFFFAOYSA-N 285.256 -0.700 50 20 CBGD CCN(CCO)NC(=O)[C@@H](C)Cc1cnn(C)c1 823889434 WIWRWFSMFRNTQK-JTQLQIEISA-N 254.334 -0.056 50 20 CBGD CCOCC(=O)NNC(=O)NCc1ccnn1CC 824349549 PGNKZKSARGYXLY-UHFFFAOYSA-N 269.305 -0.230 50 20 CBGD CN(NC(=O)COc1cccc(-c2nn[nH]n2)c1)C(N)=O 826004334 SOQDSXDPBZQPMS-UHFFFAOYSA-N 291.271 -0.713 50 20 CBGD O=C(Cc1ccccc1F)NNC(=O)[C@H]1CCNC1=O 826936614 ATAMDJKWURNKID-VIFPVBQESA-N 279.271 -0.348 50 20 CBGD COc1ccc(NNC(=O)[C@H]2CCNC2=O)nc1 832645814 LOHCYLSSZBVDOW-QMMMGPOBSA-N 250.258 -0.331 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnn(C)c1N 843970489 GSILAIXBHQXMAO-RQJHMYQMSA-N 267.289 -0.812 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCCNC(=O)C1CC1 843976321 XTJYULPDXZHIOJ-MWLCHTKSSA-N 297.355 -0.135 50 20 CBGD CSCC[C@H](O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843980324 SUESWIRRQJWYNR-YIZRAAEISA-N 276.358 -0.327 50 20 CBGD COC/C(C)=C\C(=O)NNC(=O)c1cnn(C)c1 844395860 YBMLVYAFKWHODV-YWEYNIOJSA-N 252.274 -0.226 50 20 CBGD C[C@H]1CNCCN1S(=O)(=O)CBr 850581596 GDELJZDNNSEWFM-LURJTMIESA-N 257.153 -0.038 50 20 CBGD COC(=O)[C@@H]1CCN(CC(=O)NNC(=O)C(C)C)C[C@@H]1C 852649751 BEJYJVINSQISOW-WDEREUQCSA-N 299.371 -0.079 50 20 CBGD O=C(NNc1ncncc1F)C1(n2cnnn2)CC1 854609972 XCHOQRYONWCGJR-UHFFFAOYSA-N 264.224 -0.765 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=S)NCC2CCC2)CN1 855092141 RUCYINUAPHTZLR-SECBINFHSA-N 284.385 -0.192 50 20 CBGD O=C(NNC(=O)C1(O)CCOCC1)c1cccc(F)n1 856423540 VQQAGFYKUCHYBI-UHFFFAOYSA-N 283.259 -0.477 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1cnoc1C 863186597 DDZUZPYCXSYVAH-UHFFFAOYSA-N 259.287 -0.132 50 20 CBGD C[C@H]1CC[C@H](CCC(=O)NNC(=O)CS(C)(=O)=O)O1 863462471 DJRFZXYMYZVMTA-DTWKUNHWSA-N 292.357 -0.474 50 20 CBGD Cc1ccc([C@H](C)C(=O)NNC(=O)CS(C)(=O)=O)o1 863462710 IVIJSDKLVWSZHD-QMMMGPOBSA-N 288.325 -0.116 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H](C)Oc1ccccn1 869904959 GIMMLGSYSARZSR-JTQLQIEISA-N 297.311 -0.341 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=CC1CCN(C)CC1 872350958 IOJRIZQIIBWKNZ-SECBINFHSA-N 290.389 -0.632 50 20 CBGD COCCOCC(=O)NN=C(C)c1ccncn1 872399483 DMHNJJYDJCRVCR-UHFFFAOYSA-N 252.274 -0.020 50 20 CBGD COc1ccnc(NNC(=O)c2cn(C)nc2OC)n1 883957040 MQYPEOOFUWDSLF-UHFFFAOYSA-N 278.272 -0.016 50 20 CBGD CC(=O)CSCC(=O)NNC(=O)CN1CCCC1=O 913733050 TZWPQKKRVQCAEL-UHFFFAOYSA-N 287.341 -0.922 50 20 CBGD CCO[C@@H]1C[C@@H]1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 916109858 BTCXFUHLIORHJO-GARJFASQSA-N 290.385 -0.096 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN[C@@H]1C(=O)NCC1(C)C 931658815 PDWYCEACAOWNIV-SECBINFHSA-N 284.360 -0.706 50 20 CBGD NC(=O)c1nccnc1C(=O)NNC(=O)CC1CC1 1117735135 PWTCHMNAHBVLKB-UHFFFAOYSA-N 263.257 -0.863 50 20 CBGD CC(=O)NNC(=O)C(=O)c1cnn(C(C)(C)C)c1 1117777904 FQLCDOSSLXTIOH-UHFFFAOYSA-N 252.274 -0.012 50 20 CBGD O=C(CCc1cccnc1)NNC(=O)[C@H]1CCC(=O)N1 1118942436 CULGRWIUHDYJGH-SNVBAGLBSA-N 276.296 -0.560 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=O)c1ccc(OC)cc1 1252776628 WZEGXMKQALWGRT-ZDUSSCGKSA-N 282.296 -0.146 50 20 CBGD C[C@]1(CCCC(=O)NNc2cccnn2)NC(=O)NC1=O 1254616327 VTLBPLYSNJFYEF-GFCCVEGCSA-N 292.299 -0.312 50 20 CBGD CCOC(=O)NNC(=O)c1nc2ncc(C)cn2n1 1261760003 XEQUGBSNRZSLPT-UHFFFAOYSA-N 264.245 -0.176 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)nc1O 1318476374 VJQALWAZWIRBNK-GJMOJQLCSA-N 265.273 -0.104 50 20 CBGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)NC1CC1 1318951727 FYNOVCVCOAYUOP-ZETCQYMHSA-N 255.278 -0.978 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(CC#N)cc1 1318965782 KSLXNVKHEJNVML-UHFFFAOYSA-N 268.298 -0.125 50 20 CBGD C#Cc1ccc(C(=O)NNc2ccc(C(N)=O)nn2)cn1 1319243310 KDVLZPQOEDVUSD-UHFFFAOYSA-N 282.263 -0.291 50 20 CBGD Cc1cc(CC(=O)NNC(=S)NC[C@H]2CCOC2)n[nH]1 1319391540 QJUQZJXHJRCACD-SECBINFHSA-N 297.384 -0.208 50 20 CBGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)NC2CC2)c1C 1319716905 KDWXGQKVIRSCPO-UHFFFAOYSA-N 279.300 -0.496 50 20 CBGD COc1ccc(NNC(=O)C(=O)Nc2cnnn2C)cc1 1324170154 ABYFNBPFUYTUHW-UHFFFAOYSA-N 290.283 -0.095 50 20 CBGD COCC1(CNC(=O)NNC(=O)C(=O)OC)CCC1 1327093361 UZPRUGHSWHVEET-UHFFFAOYSA-N 273.289 -0.694 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CC[C@]3(CCOC3)C2)N1 1328717928 GEFXPSGHONLWMY-ZANVPECISA-N 296.327 -0.882 50 20 CBGD C[C@@H](CN)NC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br 1329570275 GAKCSTACIGQABP-MHYGZLNHSA-N 292.177 -0.261 50 20 CBGD COC(=O)[C@@H](NNC(=O)[C@@H]1CCC(=O)N1)c1cccnc1 1329571558 UXXGGRHBIDUOSV-ONGXEEELSA-N 292.295 -0.805 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ncccn1 1329673702 ZUKRMKJXHAZZOV-BDAKNGLRSA-N 279.300 -0.268 50 20 CBGD C#CCn1ccnc1C=NNC(=O)[C@H]1CCC(=O)N1 1330141656 BBOOSOPXORSDBW-SECBINFHSA-N 259.269 -0.755 50 20 CBGD C[C@@H]1COCC[C@H]1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1348111596 ZWVFOCAZDLNYMV-UTLUCORTSA-N 298.343 -0.732 50 20 CBGD C[C@H](C(=O)NNC(=O)c1ncccn1)[C@@H]1CCC(=O)N1 1348353865 JHTFEIKMHBCGCZ-YUMQZZPRSA-N 277.284 -0.848 50 20 CBGD O=C(CCCc1nc(C2CC2)no1)NNC(=O)[C@@H]1CCN1 1580532617 QBUSXXNFNYQXFN-VIFPVBQESA-N 293.327 -0.221 50 20 CBGD CC(C)NC(=O)NNC(=O)c1coc(-c2nn[nH]n2)c1 1589724264 FYDAFHIUINSINY-UHFFFAOYSA-N 279.260 -0.188 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)NC1CCCC1 1593908902 OARIGYUAIRKPRH-SSDOTTSWSA-N 259.262 -0.641 50 20 CBGD CCO[C@H](CCNC(=O)NNC(=O)C(=O)O)C(C)C 1596784766 XVHGILFTXCIUCT-MRVPVSSYSA-N 275.305 -0.147 50 20 CBGD O=C(NC[C@H]1C[C@H]1C(=O)O)NNC(=O)C1CCOCC1 1601527568 DUOCPBILWIGJRJ-RKDXNWHRSA-N 285.300 -0.536 50 20 CBGD CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)N1CCOCC1 1602970052 JHROOIBOGLQZLJ-MRVPVSSYSA-N 273.289 -0.584 50 20 CBGD COC(=O)N(C)NC(=O)c1cc(C)c(-c2nn[nH]n2)cn1 1604950095 YXNHGPLBCFWMMI-UHFFFAOYSA-N 291.271 -0.087 50 20 CBGD COc1cccc(CNC(=O)NNC(=O)C(=O)O)c1OC 1607323209 CSSBIVAQKTXOMY-UHFFFAOYSA-N 297.267 -0.381 50 20 CBGD CC(=O)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841349639 FFAYBMBBSAUUDX-SECBINFHSA-N 288.731 -0.622 50 20 CBGD CC(=O)NCC(=O)NCC(=O)NNc1cc(C)ccc1C 159067459 LWBKYHLBJYWJGF-UHFFFAOYSA-N 292.339 -0.001 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CCCN1Cc1ccccc1 180951393 WPXODSYGFBRCEJ-LBPRGKRZSA-N 277.324 -0.209 50 20 CBGD Cc1c(CC(=O)NNC(=O)CO)cccc1[N+](=O)[O-] 182753862 BNCISJMIOLRVMY-UHFFFAOYSA-N 267.241 -0.415 50 20 CBGD COC(=O)N1CC(NC(=O)NNC(=O)C(C)(C)C)C1 269279777 KZFNCVJRXHDPNV-UHFFFAOYSA-N 272.305 -0.187 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)N[C@@H]2CC(=O)N(C)C2)O1 298049193 URCDFVYAFUVRQG-YIZRAAEISA-N 284.316 -0.885 50 20 CBGD CCOC(=O)NN=Cc1cn(C)c(=O)n(C)c1=O 490596233 KABRFKNZAVGRBU-UHFFFAOYSA-N 254.246 -0.836 50 20 CBGD CCN(C)C[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584955767 WLKPYLYOUDXDPY-GFCCVEGCSA-N 290.172 -0.220 50 20 CBGD O=C(NC[C@@H]1CCCS1)c1ccc(B(O)O)cc1 584959147 YMIVKBHNTQXAPB-NSHDSACASA-N 265.143 -0.008 50 20 CBGD C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)c1ccc(B(O)O)cc1 584985426 MCBRQISQSYPUKT-ZLMDCXFVSA-N 295.169 -0.652 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@H]2C[C@@H](O)CC[C@H]2C1 584999415 BINSWTPTOYWCQE-SCRDCRAPSA-N 289.140 -0.401 50 20 CBGD O=C(NCB(O)O)c1ccc([N+](=O)[O-])c2cccnc12 585062851 OEMXXANAKHIYMU-UHFFFAOYSA-N 275.029 -0.115 50 20 CBGD CCn1nc(C(=O)NNC(=O)CC(F)(F)F)ccc1=O 732274993 PRZBRPUQSFTIJT-UHFFFAOYSA-N 292.217 -0.023 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@H]1C[C@@H]1C(=O)O 739348872 FSQZYAAEXLWDCP-IUCAKERBSA-N 263.253 -0.508 50 20 CBGD COCCCOCC(=O)NNC(=O)Cc1cccnc1 775714786 QJJNVZDUFRVSMA-UHFFFAOYSA-N 281.312 -0.175 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@H](C)NC(N)=O)n1 775771646 DGLHIGDOENBYTM-ZETCQYMHSA-N 252.278 -0.407 50 20 CBGD O=C(CN1CCC[C@H]1CCO)NNC(=O)C1CC1 778273153 WHQCEUZHIGRBIH-JTQLQIEISA-N 255.318 -0.609 50 20 CBGD CCN(C)C(=O)[C@@H](C)NC(=O)NNC(=O)C(C)C 788893179 WAQPDUGLOISBEG-MRVPVSSYSA-N 258.322 -0.160 50 20 CBGD CC(=O)NCC(=O)OCC(=O)NNC(=O)c1ccccc1 798004900 KKXLJMZRJVZVPZ-UHFFFAOYSA-N 293.279 -0.873 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cnoc1C 799479253 YGYXQPLUGRDODQ-SSDOTTSWSA-N 288.329 -0.239 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)Nc1ccccc1 801992138 ABQXKEJRMFLVLY-UHFFFAOYSA-N 271.298 -0.116 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)N=c1cc[nH]cc1 802028018 GXOOSEJSQHLRAL-LLVKDONJSA-N 293.327 -0.623 50 20 CBGD Cn1ncc(C(=O)NNC(=O)CC(F)(F)F)n1 806536536 FJWBNNAVTPHBBQ-UHFFFAOYSA-N 251.168 -0.472 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@@H](CC(N)=O)C1 808773806 QNCKIAXJZWBRNY-VIFPVBQESA-N 284.360 -0.623 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@](C)(O)C2CCC2)cn1 813456311 CGEIHVNBNIHSMI-GFCCVEGCSA-N 266.301 -0.268 50 20 CBGD CC(C)(C)n1nnc(CC(=O)NNC(=O)NC2CC2)n1 823768515 XLSVMRVDRKAPBV-UHFFFAOYSA-N 281.320 -0.537 50 20 CBGD CCNC(=O)NNC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 823800031 YLSBQOLUROBCTF-CQSZACIVSA-N 290.323 -0.205 50 20 CBGD CC(=O)N1CCC[C@H](C(=O)NN(C)[C@H](C)CO)C1 823983584 XHWYMBFUOULBGA-KOLCDFICSA-N 257.334 -0.411 50 20 CBGD COCCO[C@@H](C)C(=O)NN[C@H](C(=O)O)c1cccnc1 831757452 PTKRSAFNBGVSHJ-ONGXEEELSA-N 297.311 -0.120 50 20 CBGD C[C@H](N)[C@H]1CCCCN1CC(=O)NNC(=O)C1CC1 843346429 OEOAYZKQIZCNLS-GXSJLCMTSA-N 268.361 -0.255 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(=O)n(C)c1 843641273 BHEQEGWLQGZAFT-WCBMZHEXSA-N 279.296 -0.429 50 20 CBGD Cc1cccnc1NNC(=O)c1nc(N)nc(N(C)C)n1 846641196 YTSUWIYGOFYNMG-UHFFFAOYSA-N 288.315 -0.020 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCS1(=O)=O)[C@@H]1CCCCO1 847057507 FTOBKWSZYFZLCM-IUCAKERBSA-N 290.341 -0.720 50 20 CBGD O=C(NNc1ccc(-n2ccnc2)nn1)[C@H](O)C1CC1 854448760 MRTLVLVLSKDHTB-LLVKDONJSA-N 274.284 -0.124 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)CS(=O)(=O)C1CC1 854998008 XDYTYODXXOAKBL-UHFFFAOYSA-N 288.247 -0.337 50 20 CBGD N#C[C@@]1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC12CCCC2 862462821 YXLLSECQOMLUQS-LKFCYVNXSA-N 290.323 -0.114 50 20 CBGD COC(=O)[C@@H]1C[C@H]2CC(=NNC(=O)[C@H]3CCC(=O)N3)[C@H]1C2 863151045 GJTIQUXHIUDQKU-AXTSPUMRSA-N 293.323 -0.044 50 20 CBGD COC(=O)C(C)(C)NC(=O)c1ccc(B(O)O)cc1 863869466 OMUKNWAVNJTYAO-UHFFFAOYSA-N 265.074 -0.952 50 20 CBGD CC[C@@]1(NC(=O)c2cc(B(O)O)ccc2F)CCOC1 867761010 SCWVGROGJTYGPJ-CYBMUJFWSA-N 281.092 -0.196 50 20 CBGD COCC1(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1 882747238 NAYGIEKAVDUJIE-DTWKUNHWSA-N 292.357 -0.459 50 20 CBGD C[C@H]1OCCN(C(=O)NNC(=O)c2cccnn2)[C@@H]1C 883851376 QVBBLXIOMRRBBN-RKDXNWHRSA-N 279.300 -0.060 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H](C)[C@H]1CCC(=O)N1 887150334 GNUFGHKJCVTGJD-NXEZZACHSA-N 265.313 -0.148 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H](c1cncn1C)N(C)C 910150382 QSVTVCWYSANCJW-MWLCHTKSSA-N 269.349 -0.633 50 20 CBGD CCn1nc(C(=O)NN(C)C[C@@H](C)O)ccc1=O 910169145 XOBHHHLHGUNUDL-MRVPVSSYSA-N 254.290 -0.779 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@@]2(C)C[C@H](O)CN2)n1 911882823 IZHNRQPKVBOXRS-JOYOIKCWSA-N 265.317 -0.351 50 20 CBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=S)NC(C)(C)C 1123482345 LSZSMRFOKIQUAZ-ZJUUUORDSA-N 299.444 -0.332 50 20 CBGD COc1ccnc(NNC(=O)NCc2nnc(C)n2C)n1 1251705202 MIBAMCYVCWJZLJ-UHFFFAOYSA-N 292.303 -0.252 50 20 CBGD CN(NC(=O)c1ccccc1OCC(N)=O)C(N)=O 1254046731 XNSXACNHPHPPBN-UHFFFAOYSA-N 266.257 -0.794 50 20 CBGD C[C@@H](NC(=O)NNC(=O)c1ccccc1)c1nnnn1C 1263065683 MEUYMALYONWHGT-MRVPVSSYSA-N 289.299 -0.085 50 20 CBGD Cn1ccc(CCC(=O)NNC(=O)NC2CC2)n1 1324229484 NEFDFWOYTPBMOC-UHFFFAOYSA-N 251.290 -0.155 50 20 CBGD O=C(NNC(=O)c1cc(F)c[nH]1)C(=O)NC1CC1 1324363669 BQOSUGURHFTMHY-UHFFFAOYSA-N 254.221 -0.807 50 20 CBGD CN(NC(=O)c1cccn2c(O)nnc12)C(N)=O 1325091570 OEPSQLAGALMUQD-UHFFFAOYSA-N 250.218 -0.910 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCc2nnc(O)cc2C1 1325788428 AXMUMDDAZIBTGS-MRVPVSSYSA-N 293.327 -0.514 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)co1 1325961897 YIGPDPYMGPGBCM-QMMMGPOBSA-N 286.309 -0.216 50 20 CBGD C=CCCn1cc(C(=O)NNC(=O)NC2CC2)nn1 1329143822 WSTAYJJVYGZCDA-UHFFFAOYSA-N 264.289 -0.039 50 20 CBGD C[C@H]1CC[C@H](C(=O)O)CN1CC(=O)NNC(=O)C1CC1 1329419562 DLNYJRQSOQCGKV-WPRPVWTQSA-N 283.328 -0.271 50 20 CBGD O=C(CCc1cnn[nH]1)NNC(=O)CC(F)(F)F 1329528229 ZTVNXXVSIVHCAA-UHFFFAOYSA-N 265.195 -0.163 50 20 CBGD CCc1nc(C)c(C(=O)NNC(=O)CS(C)(=O)=O)o1 1331736458 NKVFDGGVWXMUPO-UHFFFAOYSA-N 289.313 -0.649 50 20 CBGD O=C(c1cccnc1-n1cccn1)N1CC[C@H](B(O)O)C1 1331825894 FEEPRTHIVMIAIG-JTQLQIEISA-N 286.100 -0.044 50 20 CBGD Nc1cnnc(NNC(=O)[C@@H]2CCCN2)c1Cl 1332451053 GJZOBUUKJZHYQG-LURJTMIESA-N 256.697 -0.093 50 20 CBGD C[C@@H]([C@H](C)C(=O)NNc1ncccn1)S(C)(=O)=O 1339549858 VHDNUMJBVORGKE-YUMQZZPRSA-N 272.330 -0.011 50 20 CBGD COC[C@H](NC(=O)NNC(=O)C(=O)OC)C(C)C 1339817617 JBYSJMQRHUFRTA-ZETCQYMHSA-N 261.278 -0.839 50 20 CBGD COc1cccc(NNC(=O)[C@@H]2CN3CCN2C[C@H]3C)n1 1348212356 MCYHHMKHNSRPMN-MNOVXSKESA-N 291.355 -0.078 50 20 CBGD C[C@H](CO)N(C)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 1348955503 MRGOGURDSJHSOB-RKDXNWHRSA-N 296.414 -0.750 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@@H](C(=O)O)[C@H](C2CC2)C1 1350911043 UUFYNRAJINBODP-DVVUODLYSA-N 297.355 -0.025 50 20 CBGD Cn1cc(C2=NO[C@@H](C(=O)NNC(=O)C3CC3)C2)cn1 1356570563 MVEDWJACGUFRDZ-SNVBAGLBSA-N 277.284 -0.530 50 20 CBGD CNC(=O)NNC(=O)C12CCC(C(=O)O)(CC1)C2 1598650569 KXIFLCDGWDHRCI-UHFFFAOYSA-N 255.274 -0.018 50 20 CBGD C[C@H](C(=O)O)C(=O)NNC(=O)NCc1ccco1 1602804023 DLUHQJYQEUSYET-LURJTMIESA-N 255.230 -0.169 50 20 CBGD Cn1ccc(NNC(=O)[C@H]2CCCN(CC(=O)O)C2=O)n1 1605505873 TVQHBSIOTLPOFZ-MRVPVSSYSA-N 295.299 -0.814 50 20 CBGD COCCO[C@@H](C)C(=O)NN=Cc1cc(C(=O)O)no1 1606899933 KYBZTNJWOBRJRW-ZETCQYMHSA-N 285.256 -0.126 50 20 CBGD O=C(NNC(=O)C12CC(C(=O)O)(C1)C2)c1ncccn1 1608478164 VQXHKOQPQURAMP-UHFFFAOYSA-N 276.252 -0.508 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC1(C(=O)O)CC1 1609878405 HPHJHNIUKJISOL-YUMQZZPRSA-N 285.300 -0.393 50 20 CBGD Cc1ccccc1OCCNC(=O)NNC(=O)C(=O)O 1610533271 HUVRYQBENLURNX-UHFFFAOYSA-N 281.268 -0.211 50 20 CBGD O=C(C(Cl)Cl)N1CC2(CCCN2C(=O)C(O)O)C1 1841236755 HQIFUUWXYKLBMP-UHFFFAOYSA-N 297.138 -0.696 50 20 CBGD COC(=O)NCC(=O)NNC(=O)COc1cccc(C)c1 58839073 OTBVLZYNTHIROQ-UHFFFAOYSA-N 295.295 -0.123 50 20 CBGD CN1CCO[C@H](C(=O)NNc2ncc(F)cn2)C1 123055295 LUZVFDVOBZAEMG-QMMMGPOBSA-N 255.253 -0.611 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cnns2)[nH]n1 151224123 XRMQDXUAIJETMJ-UHFFFAOYSA-N 252.259 -0.356 50 20 CBGD O=C(CO)NNC(=O)CCC(=O)c1ccccc1 180944917 PGLPVBIBODKYOH-UHFFFAOYSA-N 250.254 -0.211 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CSc1ccncc1 263805554 LCYYGEQENHDOMT-UHFFFAOYSA-N 296.352 -0.154 50 20 CBGD COC(=O)N[C@H](C(=O)NNC(=O)c1cc(C)n[nH]1)C(C)C 268796920 BYKXIADAUUPJIA-VIFPVBQESA-N 297.315 -0.140 50 20 CBGD CC(C)(C)CC(=O)NCC(=O)NNC(=O)C(C)(C)O 276330710 YGKGASZLLLMWSO-UHFFFAOYSA-N 273.333 -0.543 50 20 CBGD C[C@H](O)C(=O)NNC(=O)COCc1ccccc1 276475314 DZXWSQIVHXRIKR-VIFPVBQESA-N 252.270 -0.269 50 20 CBGD O=C(NNS(=O)(=O)c1ccsc1)N1CCOCC1 284969731 CYAMZHYGJPUECU-UHFFFAOYSA-N 291.354 -0.017 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CC[C@H]1C(=O)OC 285201456 RHQPXEJKCUOPON-JGVFFNPUSA-N 271.342 -0.133 50 20 CBGD O=C(NNS(=O)(=O)c1cn[nH]c1)NC1CCCC1 299402717 NJJPRIRTIGCSFJ-UHFFFAOYSA-N 273.318 -0.155 50 20 CBGD COc1ncccc1C(=O)NNC(=O)C(=O)N1CCCC1 299553729 LXRWUHHYMVVUDG-UHFFFAOYSA-N 292.295 -0.526 50 20 CBGD CC(C)[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)CCN1C 584981446 WLJOQAYFSDRMMW-AWEZNQCLSA-N 290.172 -0.221 50 20 CBGD CC1(C)C[C@@H](O)CCN(C(=O)c2cccc(B(O)O)c2)C1 584996769 PGRZXMJYWGCMKW-ZDUSSCGKSA-N 291.156 -0.011 50 20 CBGD C=CCC[C@@H](CO)NC(=O)c1ccc(B(O)O)cc1 585001449 WDMRLMDBHUDVOZ-LBPRGKRZSA-N 263.102 -0.577 50 20 CBGD O=C(NC1(CF)CCC1)c1cccc(B(O)O)c1 585003694 QCVWCARYNSSZLF-UHFFFAOYSA-N 251.066 -0.012 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2[C@@H](C1)C2(F)F 585004942 SBNBCFDTXBXLNM-NXEZZACHSA-N 267.040 -0.297 50 20 CBGD CC(C)(C)N1CC[C@H](NC(=O)c2cccc(B(O)O)c2)C1 585006936 BYLMYIOGWVCXPG-ZDUSSCGKSA-N 290.172 -0.031 50 20 CBGD CC[C@@H](CNCc1ccc(B(O)O)o1)N1CCCC1 585017346 ACPQRMHNETVREX-NSHDSACASA-N 266.150 -0.077 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)cc1)[C@H]1CN(C)CCO1 585029427 YNCJXBKJLDQRKN-BXUZGUMPSA-N 278.161 -0.825 50 20 CBGD Cn1cc(Cl)c(CNCc2ccc(B(O)O)o2)n1 585043994 XERXXVYSNWFUGF-UHFFFAOYSA-N 269.497 -0.364 50 20 CBGD OB(O)c1cccc(-c2noc([C@H]3COCCO3)n2)c1 585051394 FAOSSAAGSAMLIS-SNVBAGLBSA-N 276.057 -0.496 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)C[C@@H]1CCCO1 735646342 PMVHGFPIILYGAT-ZETCQYMHSA-N 251.308 -0.729 50 20 CBGD CC(C)(C)C(=O)NNC(=O)Cn1cnc([N+](=O)[O-])c1 742451352 UBGLILBJRCGFPZ-UHFFFAOYSA-N 269.261 -0.015 50 20 CBGD CON(C)S(=O)(=O)c1ccc(C(=O)NN)cc1 750531917 UFQMOJOPNHUXPD-UHFFFAOYSA-N 259.287 -0.528 50 20 CBGD CCNS(=O)(=O)c1ccc(CC(=O)NNC(C)=O)cc1 759357046 QJYNCJGMSKEWMZ-UHFFFAOYSA-N 299.352 -0.305 50 20 CBGD C[C@H](O)c1cn(CC(=O)NNC(=O)C2CCCC2)nn1 763024454 HWKXNTZJGCNKBV-QMMMGPOBSA-N 281.316 -0.331 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cncs1 767784876 GHCVHSCWMNSIDD-LURJTMIESA-N 276.343 -0.469 50 20 CBGD NC(=O)c1ccc(NNC(=O)C2=CCCCO2)nn1 768230303 INHZQWPYUDXTQH-UHFFFAOYSA-N 263.257 -0.287 50 20 CBGD Cc1nn(C)c(C)c1C(=O)NNC(=O)C(C)(C)O 787947430 OFMXPIXHZNSAST-UHFFFAOYSA-N 254.290 -0.431 50 20 CBGD COc1nnccc1NC(=O)NNC(=O)c1cc(C)[nH]n1 808901470 GWHKYJLFUOCNBG-UHFFFAOYSA-N 291.271 -0.017 50 20 CBGD CCOC1CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)C1 814835387 PNLFAMVCYWCNNK-YOXFSPIKSA-N 277.346 -0.405 50 20 CBGD CC[C@@H](CS(=O)(=O)NNC(=O)NCC1CC1)OC 817355859 WTKWUCUWWNHJBT-VIFPVBQESA-N 279.362 -0.045 50 20 CBGD C#C[C@@H](C)NC(=O)NNC(=O)[C@H](C)OCCOC 820426908 AWXHKVFMUZPSGZ-BDAKNGLRSA-N 257.290 -0.610 50 20 CBGD CCCCS(=O)(=O)NCC(=O)NN(CC)CCO 823869814 QJMPUJPPRQQNKL-UHFFFAOYSA-N 281.378 -0.949 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 823897435 BQMAIPDXFSBBKQ-JTQLQIEISA-N 295.343 -0.882 50 20 CBGD O=C(NC[C@H]1C[C@H](O)C1)c1cc(B(O)O)ccc1F 834741170 DORUNMUHKQWLQI-XWEPSHTISA-N 267.065 -0.994 50 20 CBGD CNC(=O)C[C@H](C)NC(=O)NNc1nc(C)cc(OC)n1 836629443 GEYFQVYJUPZLMY-ZETCQYMHSA-N 296.331 -0.056 50 20 CBGD N[C@@H]1CCC[C@@H]2CN(CC(=O)NNC(=O)C3CC3)C[C@@H]21 843367641 GYBGZNQEDTYADT-GRYCIOLGSA-N 280.372 -0.397 50 20 CBGD C#CCN1CCC(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1 843644736 CZWYTZRSRZIVHA-WCQYABFASA-N 293.367 -0.096 50 20 CBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843646025 HZTLUCBWOCGBAK-RYPBNFRJSA-N 270.285 -0.632 50 20 CBGD Cc1nonc1CC(=O)NNC(=O)c1cccn1C 845105531 YTUCGVNHJYPXBL-UHFFFAOYSA-N 263.257 -0.280 50 20 CBGD CN(C)c1nc(N)nc(C(=O)NN(C)C2CC2)n1 846654003 BZDQADDLPKIQMT-UHFFFAOYSA-N 251.294 -0.741 50 20 CBGD O=S(=O)(CCl)N1CCC[C@H](OCCO)C1 849376043 JXYYSHIHYZSIGC-QMMMGPOBSA-N 257.739 -0.014 50 20 CBGD CN(NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C1CC1 854985018 KKQBJQWUNJKQMX-QMMMGPOBSA-N 276.362 -0.973 50 20 CBGD NC(=O)NCCCCC(=O)NNC(=O)c1cccc(F)n1 856421553 AWGSQONNJBQJPI-UHFFFAOYSA-N 297.290 -0.180 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)CC2CC2)[nH]1 857273396 NYXNIIFQYYKQBK-UHFFFAOYSA-N 250.258 -0.325 50 20 CBGD Cc1ccc2c(c1)C(=NNC(=O)CS(C)(=O)=O)C(=O)N2 863188309 BTAPNPZREHRILD-UHFFFAOYSA-N 295.320 -0.188 50 20 CBGD CC(C)(C)CCS(=O)(=O)NNC(=O)[C@@H]1CCC(=O)N1 863412394 JTLUIASYRWXRDM-QMMMGPOBSA-N 291.373 -0.348 50 20 CBGD COC(=O)CCCNC(=O)c1ccc(B(O)O)cc1 863869400 MJIPOBGZTUQMLK-UHFFFAOYSA-N 265.074 -0.951 50 20 CBGD CC(=O)C[C@@H]1COCCN1C(=O)c1cccc(B(O)O)c1 863879039 UHZJBITWHJCYHU-CYBMUJFWSA-N 291.112 -0.814 50 20 CBGD Cc1ccn(C[C@@H](C)C(=O)NNC(=O)C(C)(C)O)n1 867672753 SRLLLGZLXRGPRY-MRVPVSSYSA-N 268.317 -0.254 50 20 CBGD CN1C(=O)CCC[C@@H]1C(=O)NNC(=O)Cc1cccnc1 906570251 WKQSZOIXKSGLQX-LLVKDONJSA-N 290.323 -0.218 50 20 CBGD C[C@@H](O)CN(C)NC(=O)Cc1nc(C2CC2)nn1C 910147484 RQYXEYDUZARQDR-MRVPVSSYSA-N 267.333 -0.421 50 20 CBGD NC(=O)c1cc(C(=O)NNC(=O)c2ccccc2O)c[nH]1 916736882 WVEARKVNZRUQON-UHFFFAOYSA-N 288.263 -0.106 50 20 CBGD Cn1nnnc1SCCC(=O)NNC(=O)c1ccc[nH]1 917939283 SFMWDIRUSASBMI-UHFFFAOYSA-N 295.328 -0.518 50 20 CBGD COCCCNC(=O)NNC(=O)CCCn1cncn1 1119525258 RYRKCRMFSJMVJH-UHFFFAOYSA-N 284.320 -0.575 50 20 CBGD O=C(NN=Cc1ncc[nH]1)N[C@H]1CCS(=O)(=O)C1 1251713798 UDPUJKRMLCDNCU-ZETCQYMHSA-N 271.302 -0.770 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCc1ccc(C)o1 1252437920 DMBVPBFMHXQUTE-UHFFFAOYSA-N 269.257 -0.366 50 20 CBGD O=C(NCc1ccccn1)NNC(=O)C(=O)N1CCCC1 1318081095 DECNJUPBJDIZLB-UHFFFAOYSA-N 291.311 -0.466 50 20 CBGD O=C(CO)NNC(=O)Cn1cc(C(F)(F)F)ccc1=O 1320968372 YKUHJKOEUCWGRB-UHFFFAOYSA-N 293.201 -0.993 50 20 CBGD CC(C)NC(=O)C(=O)NN=Cc1ccc(O)c(O)c1O 1321544552 WXZYJUBRJLCMGO-UHFFFAOYSA-N 281.268 -0.222 50 20 CBGD CC(C)c1ncc(C(=O)NNC(=O)C(=O)NC2CC2)[nH]1 1321941721 MBWYRDOFYKOSRV-UHFFFAOYSA-N 279.300 -0.427 50 20 CBGD O=C(CCO)NNC(=O)C(=O)Nc1ccc(F)cc1 1323944047 RLNRSOBDCFNMRJ-UHFFFAOYSA-N 269.232 -0.706 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cnn(CC2CC2)c1 1323967157 IWAAJJLPSPAVOH-UHFFFAOYSA-N 281.272 -0.381 50 20 CBGD O=C(NNc1ncc(F)cn1)[C@H]1CCc2nncn2C1 1324995445 BGKJJRQZRPNLMN-ZETCQYMHSA-N 277.263 -0.087 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)co1 1325961895 YIGPDPYMGPGBCM-MRVPVSSYSA-N 286.309 -0.216 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)N[C@H](CO)CCF 1326937557 KYDAVADKVWWJLB-JTQLQIEISA-N 284.291 -0.325 50 20 CBGD O=C(CCc1cscn1)NNC(=O)[C@@H]1CCC(=O)N1 1329171910 HOTLUJADFDTOJD-QMMMGPOBSA-N 282.325 -0.498 50 20 CBGD C#C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)[C@H]1CCCO1 1329240195 QRKLJEHXTUTZDH-WISYIIOYSA-N 295.339 -0.077 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1c(C)cnn1CC 1329565679 PWXHLQQIIOQWCJ-UHFFFAOYSA-N 296.331 -0.158 50 20 CBGD CO[C@](C)(C(=O)O)C(=O)NNc1nncc(N)c1Cl 1333658577 OKRCCDXUCPXKPE-VIFPVBQESA-N 289.679 -0.355 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1CCCS1(=O)=O 1349779746 WFDKJRVRWJDHBG-ZETCQYMHSA-N 279.387 -0.533 50 20 CBGD CCN(CCO)NC(=O)CSc1cccc[n+]1[O-] 1352231122 SJDFAXFCWDCOBM-UHFFFAOYSA-N 271.342 -0.243 50 20 CBGD C[C@]1(C(=O)NNC(=O)[C@H]2CCCCO2)CNCCO1 1576351164 XLEYEVBRZUZFFJ-BXKDBHETSA-N 271.317 -0.919 50 20 CBGD CC1(C)[C@H](N)C[C@H]1C(=O)NNC(=O)c1cc[nH]n1 1576371128 JCMFZCOYFGZZBT-POYBYMJQSA-N 251.290 -0.456 50 20 CBGD C[C@@H](N)CC(=O)NNC(=O)[C@H]1COc2ccccc2O1 1579401198 MGELXQIHZBATDU-LDYMZIIASA-N 279.296 -0.289 50 20 CBGD N#CSCCCNC(=O)[C@@H]1CC(C(=O)O)=NO1 1594610798 FIHISGJWKVGFFW-ZETCQYMHSA-N 257.271 -0.064 50 20 CBGD O=C(NCc1cnn(CC2CCC2)c1)NNC(=O)C(=O)O 1601546313 FKEFGPVIORPWSD-UHFFFAOYSA-N 295.299 -0.402 50 20 CBGD O=C1CC[C@@H](C(=O)NN[C@H](C(=O)O)c2ccc(F)cc2)N1 1602637931 IOGCQWSOFYAROK-ONGXEEELSA-N 295.270 -0.149 50 20 CBGD CN(NC(=O)c1cn(CC(=O)O)nn1)C(=O)OC(C)(C)C 1604195517 PMOOKYPMXJVUSI-UHFFFAOYSA-N 299.287 -0.126 50 20 CBGD CC[C@H](C(=O)O)C(=O)NNC(=O)Cc1cc[nH]n1 1604877837 CQQARHJBUBQDIK-ZETCQYMHSA-N 254.246 -0.790 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@@H](C)C(=O)O)n1 1605320566 QTUBGQWAJDKZCT-SSDOTTSWSA-N 251.242 -0.128 50 20 CBGD CN(NC(=O)Cn1cc(C(=O)O)nn1)C(=O)OC(C)(C)C 1606179305 MLJQJEXBOBBYIV-UHFFFAOYSA-N 299.287 -0.126 50 20 CBGD N#C[C@H]1C[C@H]1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1606354574 LXZIKNGLENCQCS-NXEZZACHSA-N 297.278 -0.213 50 20 CBGD CCNC(=O)NNC(=O)C1(NC(=O)NCC)CCCC1 49164186 GALBKBZNWKIVES-UHFFFAOYSA-N 285.348 -0.031 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCNC(=O)C1(C)C 109837070 GCUNLIPMOWYXHC-SNVBAGLBSA-N 298.387 -0.221 50 20 CBGD NC(=O)COCCNS(=O)(=O)CCCCl 230095775 QNDJDHDCMTVLPQ-UHFFFAOYSA-N 258.727 -0.963 50 20 CBGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NN)C2=O)cc1 270204308 HBJPWLHSTOPVCY-ZDUSSCGKSA-N 292.295 -0.548 50 20 CBGD CCOC(=O)/C(C#N)=C/NC[C@H](OC)C(=O)OC 292096155 OLCKFEVSKUQDFZ-ORZBULNSSA-N 256.258 -0.265 50 20 CBGD CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1cccc(B(O)O)c1 584914208 RXWPETNKWHOHDD-ZANVPECISA-N 292.144 -0.144 50 20 CBGD CN1CCC(NC(=O)c2ccc(B(O)O)c(F)c2)CC1 584925181 FAMCFBPLJITQHR-UHFFFAOYSA-N 280.108 -0.671 50 20 CBGD C[C@@H]1CCN(CCNC(=O)c2ccc(B(O)O)cc2)C1 584955746 ULMOONVEEQWRCB-LLVKDONJSA-N 276.145 -0.562 50 20 CBGD CSC[C@H](CCO)NC(=O)c1ccc(B(O)O)cc1 584962140 BBZWGVSMNMAYPL-NSHDSACASA-N 283.158 -0.790 50 20 CBGD C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@@H](C)[S@]1=O 584980634 GHRUYKQMLNMDJK-YDNVHUBRSA-N 295.169 -0.652 50 20 CBGD O=C(NCCCOC(F)F)c1ccc(B(O)O)c(F)c1 584986757 AQFZPWOFPZJXOW-UHFFFAOYSA-N 291.034 -0.135 50 20 CBGD O=C(NC[C@@H](CO)C1CCC1)c1cccc(B(O)O)c1 584988736 SPYMHAXHTZAWSD-LBPRGKRZSA-N 277.129 -0.495 50 20 CBGD COCCOCCCCNCc1ccc(B(O)O)cc1 585020647 FIQMDLYOJRHCPY-UHFFFAOYSA-N 281.161 -0.101 50 20 CBGD C[C@@](O)(CNCc1cccc(B(O)O)c1)c1ccco1 585025789 CSFPTMOCTLPEAN-CQSZACIVSA-N 275.113 -0.043 50 20 CBGD COc1nc(C)cc(CNCc2cccc(B(O)O)c2)n1 585049528 RDLHNXOJKSENHI-UHFFFAOYSA-N 287.128 -0.237 50 20 CBGD O=C(NCB(O)O)c1ncccc1OCC(F)(F)F 585061303 PAHVXBLWFIIWTK-UHFFFAOYSA-N 277.995 -0.236 50 20 CBGD CC(C)(C(=O)N1CC[C@@H](B(O)O)C1)n1cc([N+](=O)[O-])cn1 585070662 CABIEZPSWUNWOK-MRVPVSSYSA-N 296.092 -0.398 50 20 CBGD CN(CC(C)(CO)CO)S(=O)(=O)CBr 708362233 TUGYPJXDXYKXRR-UHFFFAOYSA-N 290.179 -0.409 50 20 CBGD C[C@@H](OC[C@H]1CCCO1)C(=O)NNC(=O)CN(C)C 733361159 RTVQAKOLZSHGIZ-NXEZZACHSA-N 273.333 -0.721 50 20 CBGD CCN(CC)C(=O)CNC(=O)NNC(=O)c1cnn(C)c1 735514032 YBXBQSNBHVFXNW-UHFFFAOYSA-N 296.331 -0.768 50 20 CBGD CN1CCC[C@@H](NC(=O)NNC(=O)C(C)(C)C)C1=O 748665165 QXEIYCGEIPJDRK-MRVPVSSYSA-N 270.333 -0.016 50 20 CBGD CC(C)(C)C(=O)NNC(=O)[C@H]1CN2CCCN1CC2 763892606 ZRDRPVAATOTXER-SNVBAGLBSA-N 268.361 -0.430 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cnc2ccccn12 768247979 RKXUGNXDNVANQI-UHFFFAOYSA-N 262.269 -0.134 50 20 CBGD C[C@H](NC(=O)c1ccco1)C(=O)NN(C)C(N)=O 770532216 GGEHNULZEXBMDT-LURJTMIESA-N 254.246 -0.560 50 20 CBGD N#CCC(=O)NNC(=O)c1csc(N2CCOCC2)n1 771888860 HJBYVPULHLCQCP-UHFFFAOYSA-N 295.324 -0.346 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)NC2CCCC2)C1=O 772513598 ZLGPRUCMYBALHJ-SECBINFHSA-N 268.317 -0.262 50 20 CBGD N#CCSCC(=O)NNC(=O)N=c1cc[nH]cc1 802025484 ITMBFFRSSXCDIN-UHFFFAOYSA-N 265.298 -0.087 50 20 CBGD COc1ncc(C(=O)NNC(=O)N2CCN(C)CC2)cn1 807378448 DHVDPCKYSILVAR-UHFFFAOYSA-N 294.315 -0.913 50 20 CBGD COCCN(C)NC(=O)CS(=O)(=O)C(C)(C)C 808075115 PXCYEDOUXSHYTR-UHFFFAOYSA-N 266.363 -0.191 50 20 CBGD CN1CC[C@H](C(=O)NNc2ncncc2F)C1=O 817082530 ZFXFUWWSZYFIRZ-ZCFIWIBFSA-N 253.237 -0.463 50 20 CBGD O=C(NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1cn[nH]c1 818552932 YLNPKAOOONBZLD-SSDOTTSWSA-N 277.284 -0.818 50 20 CBGD CN1C(=O)CS/C1=C/C(=O)NNC(=O)[C@H]1CCCCO1 823236578 BXDSQVHKLLGFGJ-JMUHATKESA-N 299.352 -0.251 50 20 CBGD COc1cc(C)nc(NNC(=O)CNC(=O)O)n1 829102145 ULCSDBWURSIIIR-UHFFFAOYSA-N 255.234 -0.496 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(C)(C)S(C)(=O)=O 843654061 YXEVLLSUFSWTRV-YUMQZZPRSA-N 292.357 -0.618 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@]1(C)CCOC1 843657826 QHAGLTZNTFTCPY-HOTUBEGUSA-N 256.302 -0.015 50 20 CBGD O=C(NNc1ncc(Br)cn1)C1(O)CNC1 852896465 AZNUPZMESZOMGO-UHFFFAOYSA-N 288.105 -0.984 50 20 CBGD COC(=O)NC(C)(C)C(=O)NNC(=O)c1cc[nH]n1 855358732 UKHBRSLMRHXZJI-UHFFFAOYSA-N 269.261 -0.695 50 20 CBGD CON(C)C(=O)[C@@H](C)NC(=O)NNC(=O)CC(C)C 858994965 IKMKPYXTEBDCMW-MRVPVSSYSA-N 274.321 -0.229 50 20 CBGD O=[N+]([O-])c1cnn(CCNCc2cccc(B(O)O)c2)c1 863888642 SUQYOUAKAKCHDT-UHFFFAOYSA-N 290.088 -0.739 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1C[C@H]1c1cccnc1 869906221 YFZRUIIAQPEFGF-NWDGAFQWSA-N 293.323 -0.005 50 20 CBGD COCCN(C)NC(=O)Nc1ccn(CC(=O)N(C)C)n1 878542116 WVPCGCXZHAWFCM-UHFFFAOYSA-N 298.347 -0.414 50 20 CBGD CO[C@H](C(=O)NNC(=O)C1CCOCC1)C1CC1 883069545 MOHNHAIIWXNMEZ-JTQLQIEISA-N 256.302 -0.015 50 20 CBGD Cc1nc(C)c(C(=O)NNC(=O)N2CCOCC2)[nH]1 900426583 FSSWGSOLAQLKQL-UHFFFAOYSA-N 267.289 -0.287 50 20 CBGD C[C@H]1C[C@@H](C(=O)NNC(=O)CN2CCCC2=O)CO1 913731893 ACSWFWUADVHHIW-DTWKUNHWSA-N 269.301 -0.819 50 20 CBGD CC1(C)OC[C@@H]2C[C@]21C(=O)NNC(=O)CN1CCCC1=O 913733320 DTAJYBYJTNEVEJ-LKFCYVNXSA-N 295.339 -0.429 50 20 CBGD CCCn1nccc1C(=O)NNC(=O)CN1CCCC1=O 913734713 YXYWRKWZHYCZCD-UHFFFAOYSA-N 293.327 -0.324 50 20 CBGD NNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 920426935 KRTTYTVMOWCSTI-UHFFFAOYSA-N 288.285 -0.747 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC[C@@H]1CCO[C@@H](C)C1 1116553016 IOPSHXIESSRHNL-DTWKUNHWSA-N 287.316 -0.305 50 20 CBGD CC(C)NC(=S)NNC(=O)Cc1ccn(C)n1 1118274802 NIPPQIXMAUTUTD-UHFFFAOYSA-N 255.347 -0.134 50 20 CBGD N#Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cs1 1118884771 PWISIFYDBPVNEC-QMMMGPOBSA-N 278.293 -0.341 50 20 CBGD O=C(NNC(=O)c1cncc(F)c1)C(=O)NC1CC1 1252896133 WEUKSPHSHKQUEA-UHFFFAOYSA-N 266.232 -0.740 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@]1(C)CCNC1=O 1261904256 AHFRRKOCMDMVFB-JTQLQIEISA-N 258.347 -0.584 50 20 CBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cscn1 1318307886 QERKQAOSFYMEQI-LURJTMIESA-N 289.338 -0.661 50 20 CBGD CCn1cc(C(=O)C(=O)NNC(=O)C2CC2)cn1 1319529406 BKFQJRZDYJHYAD-UHFFFAOYSA-N 250.258 -0.357 50 20 CBGD C[C@@H]1C[C@@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)CO1 1320589264 IYQJPHWEIFPMCN-RNFRBKRXSA-N 292.299 -0.063 50 20 CBGD COc1ccc(NNC(=O)C(=O)NCC(F)F)nc1 1324687179 TVBZFGONLLTQOF-UHFFFAOYSA-N 274.227 -0.085 50 20 CBGD CNC[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 1327086752 GTDCUEZEWKLYOA-VIFPVBQESA-N 254.334 -0.915 50 20 CBGD Cc1sc(=O)n(CCC(=O)N2CC[C@H](B(O)O)C2)c1C 1329213900 BHJALAPSAJUNSI-JTQLQIEISA-N 298.173 -0.008 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)NC1 1329537878 FWYOIGQVNCPSNJ-DJLDLDEBSA-N 269.301 -0.915 50 20 CBGD Cc1nn(C(C)C)cc1C(=O)NNC(=O)C(=O)NC1CC1 1329917976 JRBLAEALNXTPAH-UHFFFAOYSA-N 293.327 -0.188 50 20 CBGD O=C(c1cnc2nccn2c1)N1CC[C@H](B(O)O)C1 1330262162 LPRUPITZHQAEIO-VIFPVBQESA-N 260.062 -0.582 50 20 CBGD Cc1nnc(CN(C)CC(=O)NNC(=O)C(C)C)o1 1333603369 CIFVRGYTAXJYTA-UHFFFAOYSA-N 269.305 -0.387 50 20 CBGD CCn1cc(S(=O)(=O)NNC(=O)c2ccccn2)cn1 1338394235 KIVPQZQYNAJXLG-UHFFFAOYSA-N 295.324 -0.079 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1c[nH]nc1[C@H]1CCNC1 1576036469 JUFDSJLGRNYNKU-IUCAKERBSA-N 267.333 -0.556 50 20 CBGD CC1(C)[C@H](N)C[C@H]1C(=O)NNC(=O)c1cccnn1 1576370807 DFXMAZWQEKXPGF-IONNQARKSA-N 263.301 -0.389 50 20 CBGD Cn1cc(C(=O)NNC(=O)N[C@]23CCC[C@H]2NCC3)nn1 1579953096 HVJUXGDMPDMOCM-SKDRFNHKSA-N 293.331 -0.956 50 20 CBGD CC(=O)NNC(=O)Cc1ccc(-c2nn[nH]n2)cc1 1588869786 DODLBSSEHQBNFB-UHFFFAOYSA-N 260.257 -0.424 50 20 CBGD O=C(O)CC[C@@H]1C[C@H](C(=O)NNC(=O)NC2CC2)CO1 1595005499 NUNAPUGZEULMHX-IONNQARKSA-N 285.300 -0.251 50 20 CBGD CC[C@@H](C(=O)O)C(=O)NNc1nc(O)c2cnn(C)c2n1 1604878618 UEAJEWCHXJIVHM-RXMQYKEDSA-N 294.271 -0.377 50 20 CBGD O=C(O)c1ccc(NNC(=O)[C@]2(O)CCOC2)nc1 1608904570 YXNAGHAOEPHUMZ-NSHDSACASA-N 267.241 -0.626 50 20 CBGD O=C(NNC(=O)c1ccsc1)C(=O)NC1CC1 8402938 SCJZKKXPBCRNGE-UHFFFAOYSA-N 253.283 -0.212 50 20 CBGD CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2COCCO2)c1 32709953 CNYPOKICAPYHFM-LBPRGKRZSA-N 293.323 -0.071 50 20 CBGD O=C(CN1CC[C@@H](N2CCCC2)C1)NNC(=O)C1CC1 112979717 RCGTYCDBQRCULN-GFCCVEGCSA-N 280.372 -0.286 50 20 CBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ncc(F)cn1 123272118 OEUVVABKBMCKCD-NKWVEPMBSA-N 254.221 -0.132 50 20 CBGD CCNC(=O)CNC(=O)NNc1ccc(C)nn1 171592187 RLZJNKLCXOMTGJ-UHFFFAOYSA-N 252.278 -0.453 50 20 CBGD COc1ccc(C=NNC(=O)C(N)=O)c(OC)c1OC 252622108 NPAHBUGEZFJMEV-UHFFFAOYSA-N 281.268 -0.352 50 20 CBGD CCCCNC(=O)/C(C#N)=C\c1cn(C)c(=O)n(C)c1=O 255299774 VZDHZRJLTZJINW-YFHOEESVSA-N 290.323 -0.093 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC2CCCCC2)N1 264420717 SWEOJDGOJKBPOQ-SECBINFHSA-N 268.317 -0.072 50 20 CBGD CNC(=O)CN(C)CC(=O)NNC(=O)c1ccc(F)cc1 272875160 VNHSGDPWURIAEH-UHFFFAOYSA-N 296.302 -0.736 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)CC(C)(C)O 280511805 XCFDFXBNXUVVSS-UHFFFAOYSA-N 273.333 -0.400 50 20 CBGD O=C(NNC(=O)C1CCC1)c1cc([N+](=O)[O-])[nH]n1 286052381 RDPVNGQGUDPREI-UHFFFAOYSA-N 253.218 -0.121 50 20 CBGD CC(=O)N1CCC(C(=O)Nc2cccc(B(O)O)c2)CC1 404955799 XHNUWXSKLSWQIG-UHFFFAOYSA-N 290.128 -0.437 50 20 CBGD CN1CCC(N(C)C(=O)c2cc(B(O)O)ccc2F)CC1 584924835 YGSRTVFMDRFSQJ-UHFFFAOYSA-N 294.135 -0.328 50 20 CBGD CC(C)CN(CC(N)=O)C(=O)c1cc(B(O)O)ccc1F 584928675 UFVNAZLVCQYRAG-UHFFFAOYSA-N 296.107 -0.911 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCCC[C@H]1CCO 584931277 OEEOABORLFLEDM-NSHDSACASA-N 295.119 -0.117 50 20 CBGD Cc1nccn1CCCNC(=O)c1cccc(B(O)O)c1 584932352 LOUVONHADBDITH-UHFFFAOYSA-N 287.128 -0.309 50 20 CBGD N#C[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)CC1(F)F 584994078 XEAURRKGEMSOTF-JTQLQIEISA-N 294.066 -0.013 50 20 CBGD CC[C@@H](C)N1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584996957 RZZQKYZTAPJORL-GFCCVEGCSA-N 290.172 -0.077 50 20 CBGD O=C(NCCNCc1ccc(B(O)O)o1)C1CCCC1 585024508 XCBGZVPZSGZBDS-UHFFFAOYSA-N 280.133 -0.645 50 20 CBGD CC1(O)CCC(NCc2ccc(B(O)O)o2)CC1 585026564 PHQLBEFFHARADZ-UHFFFAOYSA-N 253.107 -0.257 50 20 CBGD Cc1noc([C@@H](C)NCc2ccc(B(O)O)cc2)n1 585037896 NADCEPFECWJOML-MRVPVSSYSA-N 261.090 -0.091 50 20 CBGD OC[C@H](Cc1ccc(F)cc1)NCc1ccc(B(O)O)o1 585038051 QREINQAPHSERDH-LBPRGKRZSA-N 293.103 -0.208 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCCC[C@H]1C(N)=O 732197259 MKLRTLNCPBDASI-QWRGUYRKSA-N 298.387 -0.092 50 20 CBGD O=C(Cn1ccc([N+](=O)[O-])n1)NNc1cccnn1 736698897 YPLZHIFPTHJDCF-UHFFFAOYSA-N 263.217 -0.275 50 20 CBGD CNC(=O)NNC(=O)CC1(N2CCOCC2)CCCC1 746159035 DPHVCJBEXGLYIU-UHFFFAOYSA-N 284.360 -0.018 50 20 CBGD CCNC(=O)NNC(=O)CCSc1n[nH]c(C)n1 746167865 ZVRDFJHEQZQAPO-UHFFFAOYSA-N 272.334 -0.054 50 20 CBGD Cc1cnc(O)n1-c1ccc(C(=O)NNC(=O)CO)cc1 753439341 LUSZSBFCQMNEEK-UHFFFAOYSA-N 290.279 -0.360 50 20 CBGD NC(=O)NCCC(=O)NNc1cc(Cl)nc(N)n1 753457113 IMTPZPMGVDLRQL-UHFFFAOYSA-N 273.684 -0.786 50 20 CBGD COC(=O)[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@H]1C 756003031 ROFNINGODXNIIC-PSASIEDQSA-N 283.328 -0.715 50 20 CBGD COC(=O)CCc1ccc(NC(=O)NNC(=O)CO)cc1 756432461 IOMYSDFDKPZNER-UHFFFAOYSA-N 295.295 -0.063 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cscc1C 764299093 CGLRLDGJNQBIRU-UHFFFAOYSA-N 271.298 -0.211 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cc(F)ccc1C 764302768 HRQVZDMALCPBMY-UHFFFAOYSA-N 283.259 -0.134 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1nccnc1N 771928377 LSXWRZNUJDPPHP-LURJTMIESA-N 281.272 -0.839 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCOC1 772047605 LCWHVNJUKRBNNO-HTQZYQBOSA-N 258.274 -0.488 50 20 CBGD CN1CCN(CC(=O)NNC(=O)C2CC2)c2cccnc21 777713263 OZCQWYKAOOJYHU-UHFFFAOYSA-N 289.339 -0.105 50 20 CBGD CC[C@H](CO)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 779580397 YWZQCOJTAMZKLX-BXKDBHETSA-N 294.307 -0.008 50 20 CBGD CC(CN1Cc2ccccc2C1)=NNC(=O)C(N)=O 792630317 AEYNAVSEWFTZLT-UHFFFAOYSA-N 260.297 -0.020 50 20 CBGD COC(=O)CNC(=O)NN=Cc1c(Cl)nc(N)n1C 814901136 ZLFFTRFINZUHAM-UHFFFAOYSA-N 288.695 -0.538 50 20 CBGD CCN(CCO)NC(=O)c1ccnc(C(=O)OC)c1 823865384 PSFZYVNERHEGEU-UHFFFAOYSA-N 267.285 -0.173 50 20 CBGD CCN(CCO)NC(=O)c1ccn2nnnc2c1 823898156 SKARTIQZZJAKPS-UHFFFAOYSA-N 250.262 -0.917 50 20 CBGD COC(=O)[C@H]1C[C@@H](NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1 827172604 VOYZHRSBEZSUCT-DOLQZWNJSA-N 299.327 -0.307 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 827269242 WNSCWAYXJASTHW-NOOOWODRSA-N 296.371 -0.212 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@H](C)OC[C@H]1C 827332875 UHBRQFVMOCCUTB-ZJUUUORDSA-N 257.334 -0.101 50 20 CBGD CO[C@@H](C)CS(=O)(=O)NNC(=O)[C@@H]1CCCCO1 830037263 PXBOKQXZWQVUBZ-IUCAKERBSA-N 280.346 -0.459 50 20 CBGD CCS(=O)(=O)C1CN(S(=O)(=O)CCl)C1 832360370 PABWECLHEGZLNZ-UHFFFAOYSA-N 261.752 -0.369 50 20 CBGD CC(=O)NC(C)(C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843647806 NUCXAQRSNXYWTD-CBAPKCEASA-N 271.317 -0.527 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCC(=O)C1 843804757 ZMMTVIUXIHIXMX-QMMMGPOBSA-N 283.328 -0.192 50 20 CBGD C=CCn1cc(C(=O)NNC(=O)N2CCN(C)CC2)nn1 844136394 GMJBLPPOHBOMAN-UHFFFAOYSA-N 293.331 -0.934 50 20 CBGD O=C(NNC(=O)C1(n2cnnn2)CC1)c1ccncc1 854117648 CMQCKZTVYXRTGY-UHFFFAOYSA-N 273.256 -0.982 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](CC)CO 854388212 BCSIHNMTMCXKFK-VIFPVBQESA-N 276.333 -0.059 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=S)N[C@@H](C)C2CC2)C1 855099640 KHAMEPZLHJGDML-ZETCQYMHSA-N 284.385 -0.242 50 20 CBGD CN1CCO[C@@H](C(=O)NNc2ncc(Cl)cn2)C1 857356544 OTZMHOYDYMBBAW-MRVPVSSYSA-N 271.708 -0.096 50 20 CBGD O=C(NNC(=O)c1noc2c1COCC2)c1cc[nH]n1 857868992 HQWZEADHPJAMHB-UHFFFAOYSA-N 277.240 -0.455 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc3c([nH]2)CCCC3)N1 862461221 ONNCZCCQLJEVMZ-JTQLQIEISA-N 290.323 -0.067 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CCC1 862462563 XSYQSDSFCHRNFI-CBAPKCEASA-N 253.302 -0.151 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1cc(C)n(C)n1 863186629 FNTWHLAFTOCARP-UHFFFAOYSA-N 272.330 -0.387 50 20 CBGD CCC[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)OC 863877838 HBVQBWRTDYANFK-LLVKDONJSA-N 297.091 -0.423 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H](CC)NC(C)=O 864455341 MYAHVQOWWCYQKZ-MRVPVSSYSA-N 258.347 -0.418 50 20 CBGD O=C(/C=C/CN1CCOCC1)NNc1cnccn1 867493975 UERZMVWCTYXNHH-OWOJBTEDSA-N 263.301 -0.192 50 20 CBGD CO[C@@H]1CN([C@@H](C)C(=O)NNC(=O)CC(C)C)CCO1 878969686 ACPLWEINIZXBBJ-JQWIXIFHSA-N 287.360 -0.127 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCCN2C)n1 895504272 GTFXREMNYFMLTJ-NSHDSACASA-N 279.344 -0.258 50 20 CBGD CN1CCO[C@@H](C(=O)NNc2cccc(F)n2)C1=O 908171286 OSPBLXMQUXUACP-VIFPVBQESA-N 268.248 -0.479 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ncccc1S(C)(=O)=O 910147187 QPAQYBDVCVJVPF-MRVPVSSYSA-N 287.341 -0.558 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CC1(Cl)Cl 913730272 OQLNUPHUOXKONK-LURJTMIESA-N 294.138 -0.050 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1C[C@@]12CCOC2 913732508 ZBGIIRGBDQLUFW-NOZJJQNGSA-N 281.312 -0.817 50 20 CBGD CC[C@@](C)(OC)C(=O)NNC(=O)CN1CCCC1=O 913732708 HDRVOKJGXPFOEN-GFCCVEGCSA-N 271.317 -0.429 50 20 CBGD CC(C)S(=O)(=O)CC(=O)NNC(=O)c1ccc[nH]1 917666581 JSPZQECJTYEXJS-UHFFFAOYSA-N 273.314 -0.401 50 20 CBGD COC[C@H](C)NC(=S)NNC(=O)c1cc(C)[nH]n1 917913396 YZGBKSJKROWQJV-ZETCQYMHSA-N 271.346 -0.138 50 20 CBGD O=C(NCCO[C@@H]1CCOC1)NNC(=O)C1CCC1 927513206 AYMGSENQXWAAEE-SNVBAGLBSA-N 271.317 -0.078 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](N(C)C)[C@H]1C 931038815 LOWFAMBSUGTRLG-OUAUKWLOSA-N 270.377 -0.043 50 20 CBGD Cc1nonc1CC(=O)NNC(=O)Cc1cc[nH]n1 1118240921 NZUIHHTWZZBSDF-UHFFFAOYSA-N 264.245 -0.966 50 20 CBGD Cc1nc(CC(=O)NNC(=O)c2c[nH]nc2C)n[nH]1 1118582243 FCSIJCKVAHLPKK-UHFFFAOYSA-N 263.261 -0.852 50 20 CBGD COC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 1254943206 BKOSUMFGIHJAFF-UHFFFAOYSA-N 290.301 -0.734 50 20 CBGD Cn1cc(C(=O)NNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)cn1 1313433902 ZAWDDUIAFMSCTD-IVZWLZJFSA-N 279.300 -0.316 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccc(OC)cc1F 1319268106 KAPFTRCCMYWDOJ-UHFFFAOYSA-N 299.258 -0.162 50 20 CBGD CSCCNC(=S)NNC(=O)CO[C@@H]1CCOC1 1319961683 CMBMDDPXHFUYDA-MRVPVSSYSA-N 293.414 -0.350 50 20 CBGD COc1ccc(C=NNC(=O)CO)cc1OCC(N)=O 1319969851 DGVISKLPSOYGFJ-UHFFFAOYSA-N 281.268 -0.998 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cccnc1OC 1320346847 IXEBMOGPJZYSFS-UHFFFAOYSA-N 266.257 -0.414 50 20 CBGD CS(=O)(=O)C1(C(=O)NNC(=O)c2cccnc2)CC1 1321133992 VWQUDYZJKSNKFW-UHFFFAOYSA-N 283.309 -0.580 50 20 CBGD CN(NC(=O)[C@@H](c1cncn1C)N(C)C)C(N)=O 1321618973 LNEJARVKQNFJNM-MRVPVSSYSA-N 254.294 -0.936 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cccc(Cl)n1 1321744341 YKMUPVFABKTUQL-UHFFFAOYSA-N 256.649 -0.159 50 20 CBGD CCNC(=O)N(C)NC(=O)N(C)[C@H]1CCS(=O)(=O)C1 1321887796 RJCHJMGSHRLNPU-QMMMGPOBSA-N 292.361 -0.609 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CCn2ccnc2C1 1329551419 PIIFYOAPKBOFLJ-JTQLQIEISA-N 296.327 -0.744 50 20 CBGD CCN(CCO)NC(=O)Cc1nc2ncccn2n1 1329808394 YPUGECZAWFZFKH-UHFFFAOYSA-N 264.289 -0.988 50 20 CBGD Cc1ccc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)nc1 1330029645 UCMGBLWYMRLBHL-JTQLQIEISA-N 291.311 -0.501 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCCS(=O)(=O)C1 1330261221 LFELDWPWPJJFGN-RKDXNWHRSA-N 264.347 -0.845 50 20 CBGD Cc1nnc(C(=O)NNC(=O)C(=O)N2CCCC2)s1 1330789575 FGXHAVZJAKEGHA-UHFFFAOYSA-N 283.313 -0.770 50 20 CBGD CN(CC1=CCCOC1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331531169 HGZSEFQGKGUHCA-JTQLQIEISA-N 296.327 -0.716 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNC(=O)C1CCC1 1335675448 DJYGPJIMSKLBRX-JTQLQIEISA-N 255.318 -0.345 50 20 CBGD Cn1cncc1C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1 1549315263 BAGQNQVLNQLIKI-ZYHUDNBSSA-N 277.328 -0.267 50 20 CBGD CCCC[C@@H](N)C(=O)NNC(=O)COCCOC 1577410731 ZDBDGLKVNFJTLY-SECBINFHSA-N 261.322 -0.686 50 20 CBGD COC(=O)c1ccccc1C(=O)NNC(=O)[C@@H]1CCN1 1578880919 SLYDWFFNOUBUQQ-JTQLQIEISA-N 277.280 -0.404 50 20 CBGD Cc1cc(-c2nn[nH]n2)cnc1C(=O)NNc1nc[nH]n1 1591876146 UIXPWRPFDDXMLU-UHFFFAOYSA-N 286.259 -0.555 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)c1cc(C(=O)O)on1 1601371399 JZJKCQJWGBPWBY-UHFFFAOYSA-N 290.235 -0.229 50 20 CBGD Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNC(=O)NC1CC1 1605452528 FOESLHAMTRCTJE-UHFFFAOYSA-N 290.287 -0.390 50 20 CBGD Cc1ccc(F)c(NC(=O)C(=O)NNC(=O)C(=O)O)c1 1607791319 PZTWILWGPIAHNA-UHFFFAOYSA-N 283.215 -0.695 50 20 CBGD Cc1ccc(S(=O)(=O)NNC(=O)NCC(=O)O)cc1 1607821579 GREHFBGRMURUFZ-UHFFFAOYSA-N 287.297 -0.428 50 20 CBGD O=C1CN(CC(=O)NNC(=O)c2ccccc2F)CCN1 28927414 LBTGFFKMRGTGAV-UHFFFAOYSA-N 294.286 -0.982 50 20 CBGD COCCNC(=O)CNS(=O)(=O)CCCCCl 163467339 HBZZIOWJRJXMKY-UHFFFAOYSA-N 286.781 -0.313 50 20 CBGD O=C(COCc1ccccc1)NNC(=O)[C@@H]1COCCO1 265580833 DCVAHUISVJIERX-LBPRGKRZSA-N 294.307 -0.234 50 20 CBGD CC[C@H](C(=O)NNC(=O)Cc1cccnc1)C(=O)OC 277301499 SANAEUORSQUMLC-SNVBAGLBSA-N 279.296 -0.029 50 20 CBGD C[C@@](O)(C(=O)NNC(=O)Cc1ccncc1)C1CC1 287809225 JRBXNACPMDRVGT-ZDUSSCGKSA-N 263.297 -0.068 50 20 CBGD CNC(=O)CCCNC(=O)NNC(=O)CC(C)C 298915833 FIALKRDVUJBQMI-UHFFFAOYSA-N 258.322 -0.111 50 20 CBGD CCC[C@H](NC(C)=O)C(=O)Nc1cccc(B(O)O)c1 584909961 LSTWHGSECRVAFO-LBPRGKRZSA-N 278.117 -0.390 50 20 CBGD N#C[C@H]1CSCCN1C(=O)c1ccc(B(O)O)c(F)c1 584970743 SLRRXZMEBFAOPQ-VIFPVBQESA-N 294.116 -0.413 50 20 CBGD CN1C[C@@H](N(C)C(=O)c2cccc(B(O)O)c2)CCC1=O 584991604 DDTNSSPUHNUFNF-LBPRGKRZSA-N 290.128 -0.941 50 20 CBGD O=C(NCc1cnc2n1CCCC2)c1ccc(B(O)O)cc1 584992492 GDRIKBOLXQGPCZ-UHFFFAOYSA-N 299.139 -0.171 50 20 CBGD C[C@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)c2nccn21 584997245 ZFVJCMVOEPPBGB-JOYOIKCWSA-N 285.112 -0.001 50 20 CBGD CN1CCC[C@@H](CCNC(=O)c2ccc(B(O)O)cc2)C1 584998950 TTYRJHRZKVHMEO-LBPRGKRZSA-N 290.172 -0.172 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@]1(C)CO 585007486 APNHLKMCNVRPDH-QMTHXVAHSA-N 277.129 -0.543 50 20 CBGD CC(C)c1n[nH]c(CNCc2ccc(B(O)O)cc2)n1 585042983 GWULNFPYJYMFSI-UHFFFAOYSA-N 274.133 -0.102 50 20 CBGD OB(O)c1ccc(CNCc2nc([C@H]3CCCO3)n[nH]2)o1 585045830 NNFDGSLYABRRAC-SECBINFHSA-N 292.104 -0.781 50 20 CBGD Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NCB(O)O)C2=O 585055459 BBTPQCUOIJKQFL-QMMMGPOBSA-N 290.084 -0.892 50 20 CBGD O=S(=O)(CCCCCl)N1CC[C@@H](B(O)O)C1 585058760 PCLVMPLXASELHV-MRVPVSSYSA-N 269.559 -0.116 50 20 CBGD CCCN(C)S(=O)(=O)N1CC[C@H](B(O)O)C1 585058769 PGTRGUJJEXKPSI-QMMMGPOBSA-N 250.129 -0.878 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CN1CCCCCC1=O 731879553 MZRKYQGXZPDPMG-UHFFFAOYSA-N 293.327 -0.118 50 20 CBGD O=C(Cn1ccccc1=O)NNc1ncnc2[nH]cnc12 743472642 APDJIROPLVKAQU-UHFFFAOYSA-N 285.267 -0.342 50 20 CBGD CN(C)C(=O)[C@@H]1CCCN1CC(=O)NNC(=O)C(C)(C)C 744384656 NOJHVMYKWTZQKD-JTQLQIEISA-N 298.387 -0.268 50 20 CBGD CC(C)NC(=O)NN=Cc1cn(C)c(=O)n(C)c1=O 745009814 ZWRDLDDCGDUPKV-UHFFFAOYSA-N 267.289 -0.875 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)C)C[C@@H](O)C1CC1 747658392 UYQVTBUVSDNVLB-SNVBAGLBSA-N 271.361 -0.117 50 20 CBGD CCOc1ccc([N+](=O)[O-])cc1C=NNC(=O)C(N)=O 748579573 LQLZXCFXNQMVMK-UHFFFAOYSA-N 280.240 -0.071 50 20 CBGD CN(C)C(=O)NNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 748728670 QRUNZLCIHUXMRZ-UHFFFAOYSA-N 283.244 -0.941 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CCc2n[nH]cc2C1 767115649 MVGXKULIXISVSD-VIFPVBQESA-N 281.316 -0.366 50 20 CBGD CN(C)CC(=O)NNC(=O)Cc1csc2nccn12 767947775 KPPFVKBJGQUINH-UHFFFAOYSA-N 281.341 -0.353 50 20 CBGD COc1nccnc1NNC(=O)[C@@H](C)CC(N)=O 774466504 MWZZNBFLGHKFCD-LURJTMIESA-N 253.262 -0.560 50 20 CBGD CCNC(=O)NNC(=O)c1c(C)nn(C)c1-n1cccn1 778588081 CGSOZIXJWCUEHB-UHFFFAOYSA-N 291.315 -0.122 50 20 CBGD CCCS(=O)(=O)CC(=O)NN(C)C(=O)NCC 780710038 VNZSPHDODMUCNL-UHFFFAOYSA-N 265.335 -0.496 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CCN(C)C(=O)C1 780712350 ZUWINCLOMLSDMI-QMMMGPOBSA-N 256.306 -0.453 50 20 CBGD C=C[C@@H](NNC(=O)[C@@H](C)OCCOC)C(=O)OC 799978501 IAPLOBCJZXTDAD-RKDXNWHRSA-N 260.290 -0.614 50 20 CBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=O)CC1CC1 819114221 CDSSWXJIYTZCQW-VIFPVBQESA-N 271.317 -0.933 50 20 CBGD CCNC(=O)NNC(=O)Cc1nnn(C(C)(C)C)n1 823799202 MBGMXUHKJTVAFP-UHFFFAOYSA-N 269.309 -0.679 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 823889245 OATSYSKTIVQLFE-WDEREUQCSA-N 252.318 -0.131 50 20 CBGD O=C(CCNC(=O)[C@@H]1CCCN1)NNc1ncccn1 826726390 OXIRPHUGBNRCKZ-VIFPVBQESA-N 278.316 -0.822 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CCCN(c2ccccc2)C1=O 827893414 DCMNUWYPJIEBOM-NSHDSACASA-N 291.307 -0.431 50 20 CBGD CCC[C@H](O)CCNC(=O)c1ccc(B(O)O)cc1 832694395 CTQWRMPMSXDXLN-LBPRGKRZSA-N 265.118 -0.353 50 20 CBGD COc1ncc(C(=O)NNC(=O)[C@H]2CCCCO2)cn1 833251376 WMUCJXPFQNARIO-SECBINFHSA-N 280.284 -0.185 50 20 CBGD CNC[C@@H]1C[C@H](F)CN1CC(=O)NNC(=O)C1CC1 843380491 UBCFAUQZRWUOGU-UWVGGRQHSA-N 272.324 -0.824 50 20 CBGD CC[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)C(=O)OC 843970403 FKCYTQHAGITZCR-HLTSFMKQSA-N 272.301 -0.242 50 20 CBGD CCN1C[C@H](CNS(=O)(=O)CCl)CC1=O 845994140 JQPCCFICBRUBRL-ZETCQYMHSA-N 254.739 -0.030 50 20 CBGD CCCCN(C)S(=O)(=O)NNC(=O)c1cc[nH]n1 849310692 KWFUBYMMFTVJES-UHFFFAOYSA-N 275.334 -0.379 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)Cn1cncn1 854386187 LLIJBFOUZSXCPZ-UHFFFAOYSA-N 285.304 -0.785 50 20 CBGD O=C(NNC(=O)[C@H]1CCCC12OCCO2)c1cc[nH]n1 855356767 XTSYFTRJZSRQQF-MRVPVSSYSA-N 280.284 -0.286 50 20 CBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)c1cccc(F)n1 856426609 BOQKLDWNZKAWOI-RNFRBKRXSA-N 280.259 -0.507 50 20 CBGD COC(C)(C)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858253503 DAXRNINVVAEEPB-SSDOTTSWSA-N 272.305 -0.980 50 20 CBGD COc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)[nH]n1 861378802 AWZMLSIDGDGIOS-RNFRBKRXSA-N 283.288 -0.004 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cccc(Cl)n2)N1 862454579 WHGYFZORDSCCCK-SSDOTTSWSA-N 282.687 -0.225 50 20 CBGD O=C(CNCC(F)(F)F)NNC(=O)c1cn[nH]c1 862471357 BDFRMBOMEVFIJL-UHFFFAOYSA-N 265.195 -0.677 50 20 CBGD O=C1CC[C@@H](C(=O)NNS(=O)(=O)CCC2CC2)N1 863412402 JYJGDHKZHCLTSD-QMMMGPOBSA-N 275.330 -0.984 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C1(F)CCCCC1 863465907 IGOMIJWSTCKMBS-UHFFFAOYSA-N 280.321 -0.149 50 20 CBGD COC(=O)NNC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 863854150 JUBKRCAZGQHVPO-ZETCQYMHSA-N 281.272 -0.840 50 20 CBGD CCC(O)(CC)CN(C)C(=O)c1ccc(B(O)O)cc1 863891101 WKULMVYXTBKWPG-UHFFFAOYSA-N 279.145 -0.011 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCNC1=O)[C@@H]1CCCCO1 868618842 BJYBSHWCXZTGQH-BDAKNGLRSA-N 269.301 -0.771 50 20 CBGD COCCOCC(=O)NNC(=O)/C=C(/C)COC 869903239 NVOVHHCEWRFPHN-TWGQIWQCSA-N 260.290 -0.611 50 20 CBGD COCC(=O)NN=Cc1cn(C[C@@H]2CCCO2)nn1 872357251 XOSYZWYYTNSRKY-JTQLQIEISA-N 267.289 -0.446 50 20 CBGD CC(C)NC(=O)N1CCC[C@H]1C(=O)NN(C)C[C@@H](C)O 910164737 CFGXOGCTVXYGAW-MNOVXSKESA-N 286.376 -0.087 50 20 CBGD CO[C@]1(C(=O)NNC(=O)Cc2cc(C)[nH]n2)CCSC1 911419576 FYRJUZDAICQPCP-GFCCVEGCSA-N 298.368 -0.070 50 20 CBGD CC[C@H](O)[C@H](C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 911503451 UNBCEDJQYOYHII-JLIMGVALSA-N 258.318 -0.034 50 20 CBGD C[C@H]1CN(CCC(=O)NNC(=O)C(F)F)C[C@H](C)O1 912920732 AHXNLRLRTBMXHP-YUMQZZPRSA-N 279.287 -0.102 50 20 CBGD O=C(NNS(=O)(=O)c1cn[nH]c1)C1CCCC1 919957128 DSKMKNLGKAYPDX-UHFFFAOYSA-N 258.303 -0.091 50 20 CBGD Cn1nc(C(=O)NNC(=O)C2CCC2)ccc1=O 1116030950 BNULAOKIKQUKBX-UHFFFAOYSA-N 250.258 -0.659 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)CC1OCCO1 1116866297 XFSJTJCLFKNPHR-UHFFFAOYSA-N 265.269 -0.466 50 20 CBGD CCOCCO[C@@H](C)C(=O)NNc1cnnn1C 1117723209 BEOGSAZUZLMMAA-QMMMGPOBSA-N 257.294 -0.300 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ncc[nH]1 1118626993 PXFGPRHRPUUUKU-UHFFFAOYSA-N 267.289 -0.525 50 20 CBGD COc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)sn1 1118944168 WQCDPQSTSQSZCN-YFKPBYRVSA-N 284.297 -0.809 50 20 CBGD Cn1nnc(CNC(=O)[C@]2(C)C[C@@H]2Br)n1 1119633490 NSXYBWYXIUBRSB-YLWLKBPMSA-N 274.122 0.000 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1cnc[nH]1 1261499943 ZDWBKGHFADKEKB-SCZZXKLOSA-N 266.301 -0.085 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NN(C)[C@H](C)CO 1261910604 DXECJXYRQODZAM-HTQZYQBOSA-N 252.336 -0.989 50 20 CBGD CC(C)NC(=O)NNC(=O)c1ccc(C(N)=O)cn1 1318099666 YPKKIHJCGQHVHV-UHFFFAOYSA-N 265.273 -0.467 50 20 CBGD C[C@H](O)c1cn(CC(=O)NNc2ncccn2)nn1 1319171290 NOUWGWOHKIXEQU-ZETCQYMHSA-N 263.261 -0.735 50 20 CBGD NS(=O)(=O)c1ccc(C(=O)NN=c2cc[nH]cc2)o1 1320793488 VFMNVAMXUOIYBO-UHFFFAOYSA-N 282.281 -0.499 50 20 CBGD CS(=O)(=O)[C@@H]1CCCC(=NNC(=O)CCO)C1 1320948352 BUAPBYJONXPHAV-SECBINFHSA-N 262.331 -0.172 50 20 CBGD CN(C)C(=O)COc1ccccc1C=NNC(=O)C(N)=O 1321993424 JKCVZZWAQYHETD-UHFFFAOYSA-N 292.295 -0.911 50 20 CBGD CC(C)OCCC(=O)NNC(=O)C(=O)Nc1ccccn1 1322517233 XOJHSFYRXPFJQN-UHFFFAOYSA-N 294.311 -0.017 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(C)(F)F 1324254113 RCHODDCGLMLNLJ-RNFRBKRXSA-N 298.311 -0.140 50 20 CBGD O=C(NNc1ccncn1)[C@@H]1CCS(=O)(=O)C1 1329044095 LXFCYVXWDFSFRD-SSDOTTSWSA-N 256.287 -0.646 50 20 CBGD O=C(c1ccc(-n2cccn2)nc1)N1CC[C@@H](B(O)O)C1 1329292909 NKPARBDZDVIWOA-LLVKDONJSA-N 286.100 -0.044 50 20 CBGD C[C@H](CO)N(C)NC(=O)COCc1ccncc1 1329806720 NQLUWZBSKWYIJQ-SNVBAGLBSA-N 253.302 -0.058 50 20 CBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ncc(F)cn1 1329906508 WSRCVSOKZMARDZ-BQBZGAKWSA-N 253.237 -0.430 50 20 CBGD CCNC(=O)NNC(=O)c1c(O)nnc(C)c1C 1337859171 ZCEBGTTWJHILBE-UHFFFAOYSA-N 253.262 -0.237 50 20 CBGD Cn1cc(NC(=O)NNC(=O)C(=O)N2CCCC2)cn1 1342435971 YDASNLUPSYJBNQ-UHFFFAOYSA-N 280.288 -0.805 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 1344081884 MQGJVLJTSXODAM-MRVPVSSYSA-N 289.299 -0.667 50 20 CBGD C[C@H](N)[C@@H](C)C(=O)NCCSS(C)(=O)=O 1576089353 WLPZGAKFVJTHSM-RQJHMYQMSA-N 254.377 -0.221 50 20 CBGD CCCCNC(=O)NNC(=O)CNC(=O)[C@@H](N)C(C)C 1577462104 UPQMHUHFUCBSHZ-JTQLQIEISA-N 287.364 -0.784 50 20 CBGD CO[C@@H](C(=O)NNC(=O)CCCCCN)c1cnn(C)c1 1578890921 DKTDJIBZOMGRMY-GFCCVEGCSA-N 297.359 -0.226 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1)NC1CC1 1594782992 QOFNQNCCKOKBKC-NKWVEPMBSA-N 255.274 -0.020 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1)c1ncccn1 1594783176 VBSUYRSEEWAUMZ-JGVFFNPUSA-N 278.268 -0.262 50 20 CBGD C[C@H](CC(=O)O)C(=O)NNC(=O)c1ccc(=O)n(C)c1 1604094993 LRUWPDSJIJLKFQ-SSDOTTSWSA-N 281.268 -0.743 50 20 CBGD CCOC(=O)c1cnc(NNC(=O)CC(=O)O)nc1C 1605578248 SYOGXVAKEBWAAT-UHFFFAOYSA-N 282.256 -0.120 50 20 CBGD CN(C)c1ncc(C=NNC(=O)NCC(=O)O)cn1 1610107635 WFOVJEYJOQOITC-UHFFFAOYSA-N 266.261 -0.740 50 20 CBGD O=C(O)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 1611362238 QKVDIQOICHLUGR-UHFFFAOYSA-N 299.308 -0.345 50 20 CBGD O=C(CC1CCCC1)NNC(=O)C(=O)NC1CC1 8392185 OQVGHHPXLFEPEF-UHFFFAOYSA-N 253.302 -0.007 50 20 CBGD CN(CC(=O)NNC(=O)NC1CCCC1)S(C)(=O)=O 49430916 QGYWHQUXBPBCRV-UHFFFAOYSA-N 292.361 -0.849 50 20 CBGD C#Cc1cccc(NC(=O)C(=O)NNC(=O)CN(C)C)c1 126481206 SGJMUUATYDJVQM-UHFFFAOYSA-N 288.307 -0.685 50 20 CBGD CC(C)CC(=O)NNC(=O)NCCNC(=O)c1ccn[nH]1 272632148 YYKRVMRURVIQMP-UHFFFAOYSA-N 296.331 -0.484 50 20 CBGD Cc1cc(C(=O)NNC(=O)C[C@@H]2CCCC(=O)N2)[nH]n1 289910725 UZMFJMMRUBZTNI-QMMMGPOBSA-N 279.300 -0.462 50 20 CBGD CC[C@@H](C)NC(=O)CCNCc1ccc(B(O)O)o1 585020764 IQEYHSOIOHXYDU-SECBINFHSA-N 268.122 -0.646 50 20 CBGD C[C@@H]1CN(C)CC[C@H]1NCc1ccc(B(O)O)o1 585021950 GFZLYTHUMWMRBE-MWLCHTKSSA-N 252.123 -0.611 50 20 CBGD CCc1[nH]nc(NCc2ccccc2B(O)O)c1C 585031694 XIFRGWLMMBEGEN-UHFFFAOYSA-N 259.118 0.572 50 20 CBGD COc1c(CNCc2ccccc2B(O)O)c(C)nn1C 585036431 JLXAUUBZEYCPFX-UHFFFAOYSA-N 289.144 -0.293 50 20 CBGD OCCCN1CCC[C@@H](NCc2ccccc2B(O)O)C1 585043862 UTADISRNIPYBTO-CQSZACIVSA-N 292.188 -0.697 50 20 CBGD OB(O)c1ccc(CN[C@@H]2C[C@@H]3CCCCN3C2)o1 585046856 WQVDWQNQPQXHGW-MNOVXSKESA-N 264.134 -0.324 50 20 CBGD O=C(NN=C1CCOC1)N[C@@H]1CCS(=O)(=O)C1 731925682 QRKZFTDMBNBQKT-MRVPVSSYSA-N 261.303 -0.751 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2ncccn2)n1 735837897 ZYWBABIZMIBAFW-UHFFFAOYSA-N 274.284 -0.249 50 20 CBGD COc1ccc(SCC(=O)NNC(=O)CO)cc1 753436726 CAZRJOTUCSYJQY-UHFFFAOYSA-N 270.310 -0.073 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)C(F)(F)C(F)F 755289144 FNNMBVPQUQDJQC-UHFFFAOYSA-N 268.170 0.000 50 20 CBGD COc1ccc(NC(=O)NNC(=O)CO)cc1[N+](=O)[O-] 757993523 MUHVINUONUVCAA-UHFFFAOYSA-N 284.228 -0.252 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)CC1(O)CCC1 759876051 GTFFXTFQBVIUHS-VIFPVBQESA-N 257.334 -0.221 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)Cc1ccco1 765381143 GSBBULLYHCIQIR-UHFFFAOYSA-N 291.263 -0.008 50 20 CBGD Cc1cc(C)nc(NNC(=O)C2(NC(N)=O)CC2)n1 767210490 XCNZTHPMFYNCSC-UHFFFAOYSA-N 264.289 -0.263 50 20 CBGD CC(C)[C@](C)(O)C(=O)NNC(=O)N1CCOCC1 771289371 WNNWTBHKCPTSSG-NSHDSACASA-N 259.306 -0.534 50 20 CBGD CS[C@H](C)CCC(=O)NNC(=O)C(=O)NC1CC1 773206797 HPUVXCWSDZSNPX-SSDOTTSWSA-N 273.358 -0.056 50 20 CBGD O=C(CO)NNC(=O)Nc1ccnn1CC1CC1 776037134 TYHWKTYPZAOOLK-UHFFFAOYSA-N 253.262 -0.562 50 20 CBGD CC(C)C(=O)N1CCCC[C@H]1C(=O)NNC(=O)CO 777781661 GIVUZQMLHZUQHI-VIFPVBQESA-N 271.317 -0.837 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCc2nnc(C)n2C1 780708192 BXEFBIDODSQQQA-SECBINFHSA-N 280.332 -0.159 50 20 CBGD CCCC(=O)N1CCC[C@@H](C(=O)NNC(=O)C(C)(C)O)C1 787944859 GQWZUVHSPNVGDG-SNVBAGLBSA-N 299.371 -0.057 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)N(C)C)c[nH]1 814669217 MCESYZVIQVLOGS-UHFFFAOYSA-N 254.246 -0.283 50 20 CBGD CC(C)(C)[C@H](Br)C(=O)NC[C@@H](O)C(N)=O 819525842 STQRIAVKOPNFTN-PHDIDXHHSA-N 281.150 -0.242 50 20 CBGD CCC(=O)N1CCC[C@@H](C(=O)NN(C)[C@@H](C)CO)C1 823971496 VKULJFJZKWHMCJ-WDEREUQCSA-N 271.361 -0.021 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)[C@H]2CCCN2C=O)cc1 824695350 XKSQVNWUGGHWQJ-GFCCVEGCSA-N 286.291 -0.060 50 20 CBGD Cc1cccnc1NNC(=O)[C@@H]1CC(=O)NC(=O)N1 834348236 INIMVRBMTZGQLN-ZETCQYMHSA-N 263.257 -0.569 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)[C@H]1CCCCO1)N(C)C 836624127 ZALWOHUMBKOEIL-VHSXEESVSA-N 272.349 -0.164 50 20 CBGD CC(C)c1nnnn1CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843656062 XGEGNNLJAHZUCW-BDAKNGLRSA-N 296.331 -0.631 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)[nH]1 843971802 RJIAKYOHLUIDRJ-YUMQZZPRSA-N 295.295 -0.013 50 20 CBGD C[C@@H]1[C@H](C(=O)NNc2ccc(C(N)=O)nn2)CCN1C 844135370 PQXFPMWZXXRGAP-HTQZYQBOSA-N 278.316 -0.641 50 20 CBGD CCN1C[C@H](CNC(=O)NNc2ncccn2)CC1=O 845491249 IVGJMQYMGPAMOJ-VIFPVBQESA-N 278.316 -0.029 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)n1 848020042 HICSUOUPURCHQV-DTWKUNHWSA-N 276.296 -0.337 50 20 CBGD Cn1cnn(CCC(=O)NNc2ccc(Cl)nn2)c1=O 848370380 VOESYSXXVVZDJH-UHFFFAOYSA-N 297.706 -0.441 50 20 CBGD COCCN(C)NC(=O)c1nnn(-c2cnn(C)c2)c1C 848378490 UEHQSHTVCBJVLA-UHFFFAOYSA-N 293.331 -0.468 50 20 CBGD C[C@@H](CC(N)=O)C(=O)NNC(=S)NCC1CCC1 855090075 OOWXLWLHKPYVLG-ZETCQYMHSA-N 272.374 -0.207 50 20 CBGD CC(=O)NCC(=O)NNC(=S)NCC1CCC1 855093372 OMUKYJUTUMVNHO-UHFFFAOYSA-N 258.347 -0.582 50 20 CBGD COC(=O)C12CC(C(=O)NNc3cnnn3C)(C1)C2 857269977 KXTGNGRTDVWCCU-UHFFFAOYSA-N 265.273 -0.399 50 20 CBGD C[C@@H]1CC[C@@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 862460003 CULQLYDMDVGKFJ-IWSPIJDZSA-N 253.302 -0.151 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H](F)C(F)(F)F 869906267 JXBRYBBOBLTYJO-LURJTMIESA-N 276.186 -0.303 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@H]2C[C@@H](O)C2)n1 896508047 LOVOAABKQJAUEZ-OCAPTIKFSA-N 251.290 -0.243 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)CN1CCCNC1=O 899992116 NOWSQRITWYMIRW-UHFFFAOYSA-N 287.389 -0.305 50 20 CBGD COC(=O)[C@@H](NNC(=O)c1cccnn1)C1CC1 905793578 PUDCVCHPXSXGEC-VIFPVBQESA-N 250.258 -0.337 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccnc(-n2cncn2)c1 910168446 OPQJOLUSKNPKTI-VIFPVBQESA-N 276.300 -0.380 50 20 CBGD CCCNC(=O)NNC(=O)CCC(=O)N1CCOCC1 921042584 CELYZTQCXQYGRK-UHFFFAOYSA-N 286.332 -0.634 50 20 CBGD CN(C)C1(CNC(=O)NNC(=O)c2cnn(C)c2)CC1 923008656 SSWXBBCSVKJZHG-UHFFFAOYSA-N 280.332 -0.542 50 20 CBGD O=C(Cc1ccco1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1116290599 LQPWXPVLPWNCEF-QMMMGPOBSA-N 286.309 -0.596 50 20 CBGD O=C(NN=CC1CCOCC1)N[C@@H]1CCS(=O)(=O)C1 1116378904 GNOCVEUNKWVQAF-SNVBAGLBSA-N 289.357 -0.115 50 20 CBGD CNC(=O)NCCC(=O)NNC(=O)Cc1ccncc1 1117753644 VUZCAGGVPHPUCC-UHFFFAOYSA-N 279.300 -0.909 50 20 CBGD C[C@@H]1[C@@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1(F)F 1123930889 KDSUDCZRZHVLGA-XAHCXIQSSA-N 261.228 -0.686 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCCCO2 1254888253 BPPZFEWEWUHGNV-UHFFFAOYSA-N 293.279 -0.046 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H]1CCOC1 1261451956 OKDHUGKXBGUGTI-AEJSXWLSSA-N 271.317 -0.222 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)/C=C\c1cnn(C)c1 1317732202 HHGSRLRGYWNVRW-PLNGDYQASA-N 279.300 -0.895 50 20 CBGD COCC(=O)NN=Cc1ccc(OC)c(OCC(N)=O)c1 1319335889 DMIPYIUBSQHERC-UHFFFAOYSA-N 295.295 -0.344 50 20 CBGD Cn1cc(C(=O)NNC(=O)N[C@@H]2CCCOCC2)cn1 1319965078 AENUVJSKGXQPSC-SNVBAGLBSA-N 281.316 -0.067 50 20 CBGD O=C1CC[C@@H](C(=O)NNc2nc3ccccn3n2)N1 1320710171 CBTIEBZPRIKFDP-ZETCQYMHSA-N 260.257 -0.549 50 20 CBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cnc(C)nc1 1321154356 SITCGJYTVPKKLA-ZETCQYMHSA-N 279.300 -0.083 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCO)cc1C 1325520599 ZTKPBJTXLVCRGN-UHFFFAOYSA-N 279.296 -0.228 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@H]1CCC[C@H](F)C1 1325988059 FRMSQQKEJMIGRB-CBAPKCEASA-N 286.307 -0.124 50 20 CBGD CCn1cc(C(=O)N2CC[C@H](B(O)O)C2)c(C)n1 1329658034 ZBOQMQNEWWOMAG-VIFPVBQESA-N 251.095 -0.100 50 20 CBGD O=C(NNC(=S)NC[C@H]1CCOC1)c1cn[nH]c1 1330150484 UYAKNEOFWRCIOI-SSDOTTSWSA-N 269.330 -0.445 50 20 CBGD Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)c1cn[nH]c1 1330167500 CDBYYLCJIFXMPC-UHFFFAOYSA-N 298.328 -0.617 50 20 CBGD CC(C)(C)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331510988 OERRQJFOYDZUPD-ZETCQYMHSA-N 256.306 -0.359 50 20 CBGD C[C@@H]1CNC[C@H]1CC(=O)NNC(=O)c1cnsn1 1579450897 KZLNRRUELMSQSE-RNFRBKRXSA-N 269.330 -0.455 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@H](CC1OCCO1)C(=O)O 1596864499 WJWCXLHIFBNEEY-UFGYOYAJSA-N 284.268 -0.237 50 20 CBGD C[C@@](CC(=O)O)(NC(=O)c1ccc(B(O)O)cc1)C1CC1 1604085944 NZPGOMRFZOIWGX-AWEZNQCLSA-N 291.112 -0.260 50 20 CBGD NNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 420169 AUBOCCZGZXCZJN-SNVBAGLBSA-N 299.352 -0.253 50 20 CBGD CC(C)CC(=O)NNC(=O)NCCNC(=O)C1CC1 48855119 PIFNMZPBKWEDRF-UHFFFAOYSA-N 270.333 -0.111 50 20 CBGD CNC(=O)CCNS(=O)(=O)CBr 127407280 YBFIEXQADJOISB-UHFFFAOYSA-N 259.125 -0.606 50 20 CBGD CC1(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 152238376 DKGNZCUEPZSIEF-UHFFFAOYSA-N 265.269 -0.043 50 20 CBGD O=C(Cc1ccoc1)NNC(=O)C(=O)N1CCCC1 184432237 MSZCPZWPALMDIC-UHFFFAOYSA-N 265.269 -0.408 50 20 CBGD CCO/C=C(\C#N)C(=O)N(CC(=O)OC)CC(=O)OC 269461354 HJGGCELPPHTGJZ-CMDGGOBGSA-N 284.268 -0.395 50 20 CBGD CCCC[C@H](NC(N)=O)C(=O)NN(C)C(=O)OC 286448554 SDKREYWJZPHHQC-ZETCQYMHSA-N 260.294 -0.057 50 20 CBGD COC(=O)N(C)NC(=O)[C@H](OC)c1cnn(C)c1 286480241 VDZOIHFXRJCJSI-MRVPVSSYSA-N 256.262 -0.163 50 20 CBGD CO[C@@](C)(C(=O)NNc1ccc(C(N)=O)nn1)C1CC1 291828886 DQBIKVFUPKIYCZ-GFCCVEGCSA-N 279.300 -0.166 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)c1cc([N+](=O)[O-])[nH]n1 295249581 ACESMWZKCNQEPT-SSDOTTSWSA-N 283.244 -0.352 50 20 CBGD O=C(C[C@@H]1CCCO1)NNC(=O)C(=O)N1CCCC1 299505646 RTEZABYWYNOMKP-VIFPVBQESA-N 269.301 -0.675 50 20 CBGD O=S1(=O)CC(NS(=O)(=O)CBr)C1 307389831 RHQLRFKRCNVTBN-UHFFFAOYSA-N 278.149 -0.945 50 20 CBGD C[C@@H](CNS(=O)(=O)CBr)S(C)(=O)=O 308339350 PZIZDBIMQLGNMB-YFKPBYRVSA-N 294.192 -0.309 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 367963422 VMKGGENQTHAZKA-QMMMGPOBSA-N 281.243 -0.609 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 377942165 AMDCVXFWLMCFEO-PTOFAABTSA-N 278.312 -0.085 50 20 CBGD CC(C)OCCN(C)C(=O)c1cccc(B(O)O)c1 584961042 WPSVEYKLICFFJO-UHFFFAOYSA-N 265.118 -0.137 50 20 CBGD CCNC(=O)C(C)(C)CNC(=O)c1ccc(B(O)O)cc1 584964348 FYKFXUZOHZEEPV-UHFFFAOYSA-N 292.144 -0.742 50 20 CBGD CC[C@]1(O)CCN(C(=O)c2cccc(B(O)O)c2)C1 584973315 FXGWIBGXIJFODE-ZDUSSCGKSA-N 263.102 -0.647 50 20 CBGD C[C@]1(CO)CCC[C@@H]1NCc1ccc(B(O)O)o1 585027342 QUMJGYJIYOVZKY-CMPLNLGQSA-N 253.107 -0.400 50 20 CBGD CO[C@@H]1CCC[C@@H]1CNCc1ccc(B(O)O)o1 585034213 KDQKIXOKKVNCIA-MWLCHTKSSA-N 253.107 -0.136 50 20 CBGD OCC[C@H](NCc1cccc(B(O)O)c1)C1CCOCC1 585037129 VTGQHXKUEYIXIX-HNNXBMFYSA-N 293.172 -0.366 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCc3nc[nH]c3C2)o1 585040763 IWYHXYVBRHOSJW-QMMMGPOBSA-N 261.090 -0.670 50 20 CBGD COCC1(CCNCc2ccc(B(O)O)o2)CC1 585047716 GNMDCJCPDGKXQB-UHFFFAOYSA-N 253.107 -0.134 50 20 CBGD CCOc1ccc(S(=O)(=O)NCB(O)O)cc1 585053797 CUIQEYMIVAPSMP-UHFFFAOYSA-N 259.092 -0.624 50 20 CBGD CN(C)N(C(=O)[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 728160920 CQHBWOXKHHALBI-WDEREUQCSA-N 290.385 -0.095 50 20 CBGD O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cnn[nH]1 729455761 YCGCFQHEJMQYRO-UHFFFAOYSA-N 290.239 -0.283 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCN1C(=O)CCC1=O 731852923 KVYCBLVFZJWOOD-UHFFFAOYSA-N 293.283 -0.982 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](COC)C1 739919039 HRSDTWFJJFKCEV-ZJUUUORDSA-N 257.334 -0.099 50 20 CBGD C[C@@H](C(=O)N(C)CC(=O)NNC(=O)N(C)C)n1cccn1 746014659 JJJWKOODMSQSFM-VIFPVBQESA-N 296.331 -0.795 50 20 CBGD COCCCNC(=O)NNC(=O)C1(O)CCCC1 754985089 ADIBCEUXXPEHBX-UHFFFAOYSA-N 259.306 -0.342 50 20 CBGD O=C(CO)NNC(=O)Nc1cnn(C[C@H]2CCCO2)c1 756738486 HSSTXZZNTNSRAR-SECBINFHSA-N 283.288 -0.793 50 20 CBGD Cc1cc(C(=O)NNC(=O)C2(O)CCOCC2)n[nH]1 773532895 DUHWDCLVIIAIJN-UHFFFAOYSA-N 268.273 -0.979 50 20 CBGD CNc1ccc(C(=O)NNC(=O)c2cnn(C)c2)cn1 796530182 RCMDTIKUNPKIMX-UHFFFAOYSA-N 274.284 -0.068 50 20 CBGD COc1ccc(NC(=O)NNC(=O)Cn2cnnn2)cc1 802052437 QDWSQEUJCKEWJR-UHFFFAOYSA-N 291.271 -0.465 50 20 CBGD Cn1cnc(C(=O)NNC(=O)COc2ccccc2F)n1 809934309 PQNADAOFOKRLBN-UHFFFAOYSA-N 293.258 -0.206 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2CCCN2C=O)n1 821482045 UYYNSDHKOGGLKQ-QMMMGPOBSA-N 265.273 -0.451 50 20 CBGD CCCNC(=O)NNC(=O)C1=C(C)N(C)c2nnnn2C1 822799946 MYUQSWBBZPEALP-UHFFFAOYSA-N 294.319 -0.863 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cnc2c(cnn2C)c1 823951093 HUNXDEXKIKLZPC-MRVPVSSYSA-N 263.301 -0.074 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1C[C@H]2C[C@H]1C(=O)O2 827266515 CCFFFSVECOGMCA-HXFLIBJXSA-N 283.284 -0.848 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccn(C)n1 843649868 XYGRUIHJQITPNQ-JGVFFNPUSA-N 252.274 -0.394 50 20 CBGD CC(C)C(=O)NNC(=O)NCC[C@]1(O)CCCOC1 845719891 XBSOWMPFWXENKY-GFCCVEGCSA-N 273.333 -0.096 50 20 CBGD O=C(CC1CC1)NNC(=O)[C@@H]1CCCS(=O)(=O)C1 846228002 HRSKIOLCBXMDGD-SECBINFHSA-N 274.342 -0.241 50 20 CBGD CCOCC(=O)NN(C)C(=S)NCCCOC 854279600 FGJGHCXVENMOSI-UHFFFAOYSA-N 263.363 -0.103 50 20 CBGD CNC(=O)NCC(=O)NNc1cc(Cl)nc(C)n1 857541111 IYBXJBNRLXLRPT-UHFFFAOYSA-N 272.696 -0.189 50 20 CBGD C[C@@H]1N(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCOC1(C)C 858696185 KMQWKIKCPYILOH-DTWKUNHWSA-N 298.343 -0.495 50 20 CBGD C#CC[C@H](CCOC)NC(=O)NNC(=O)c1cnn(C)c1 859021690 HIMDQALANRNUIR-LLVKDONJSA-N 293.327 -0.208 50 20 CBGD C[C@H](C(=O)NNC(=O)C1CCC1)[C@H]1CCC(=O)N1 859329233 ZEHKPKASQGMTHX-IONNQARKSA-N 253.302 -0.151 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN[C@H](C)C(F)(F)F 862314101 VFPOFINNRIIORQ-CRCLSJGQSA-N 277.268 -0.504 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)N1 862450863 COOQDELHSMBQOT-VIFPVBQESA-N 291.311 -0.672 50 20 CBGD Cc1nc(C)c(C(=O)NNC(=O)CS(C)(=O)=O)s1 863458755 FVGFLTALUYIDFY-UHFFFAOYSA-N 291.354 -0.434 50 20 CBGD CCS[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)C(C)C 863460619 FHUFFEYBONBEFE-SECBINFHSA-N 296.414 -0.044 50 20 CBGD COC(=O)[C@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1 863885618 MDZIAEXLLZFFQT-JGZJWPJOSA-N 277.085 -0.952 50 20 CBGD COC(=O)c1cc(CN2CC[C@H](B(O)O)C2)c[nH]1 864235282 PJMPNYKHMYKMLD-VIFPVBQESA-N 252.079 -0.150 50 20 CBGD CCN1C[C@H](NC(=O)NN(C)C(=O)OC)CC1=O 875643671 XYQWLCVHBHSCCJ-SSDOTTSWSA-N 258.278 -0.480 50 20 CBGD O=C(CC1CC1)NNC(=O)CN1CCCCS1(=O)=O 880141721 SSLMYKYRZRAIRA-UHFFFAOYSA-N 289.357 -0.641 50 20 CBGD C[C@H]1CN(C(=O)NNC(=O)c2cccnn2)C[C@@H](C)N1C 883852692 SXURZEGJCINSCQ-AOOOYVTPSA-N 292.343 -0.145 50 20 CBGD CO[C@@]1(C(=O)NNC(=O)c2cnn(C)c2)CCSC1 889041646 LSTQMBHHGOWWJV-NSHDSACASA-N 284.341 -0.297 50 20 CBGD CCc1nc(O)c(C(=O)NNC(=O)CN(C)C)cc1C 894135532 UKWNCUSUTSKTSG-UHFFFAOYSA-N 280.328 -0.019 50 20 CBGD C#CCCCC(=O)NN=Cc1cn(CC(=O)OC)nn1 901325721 VRNUZTTWJALJCD-UHFFFAOYSA-N 277.284 -0.295 50 20 CBGD Cc1ccc(NNC(=O)Cn2ccc(=O)n(C)c2=O)cc1 915065549 ITPRAORAOFXYLL-UHFFFAOYSA-N 288.307 -0.001 50 20 CBGD O=C(CCN1C(=O)CCC1=O)NNC(=O)CC(F)(F)F 918365593 GIFDUYXOFDWHHB-UHFFFAOYSA-N 295.217 -0.375 50 20 CBGD CN1CC[C@H]1CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 925405666 YUDGJTBBLOEQHV-ONGXEEELSA-N 290.389 -0.929 50 20 CBGD COC(=O)[C@H]1CCCN1CC(=O)NNC(=O)C(C)C 932371744 BYQSLVAOQGIXAG-SECBINFHSA-N 271.317 -0.573 50 20 CBGD Cn1cc(C=NNC(=O)C(N)=O)c(-c2ccncc2)n1 1115894133 MQNLBLBAYHFNKX-UHFFFAOYSA-N 272.268 -0.583 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H](C)C(=O)OC(C)C 1116181700 GFZZLDGRTKXJEV-ZETCQYMHSA-N 289.288 -0.923 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@H](C)CS(C)(=O)=O 1116189065 ZZFPOVCNFQBLCK-SSDOTTSWSA-N 265.335 -0.594 50 20 CBGD Cn1nncc1NC(=O)C(=O)NNC(=O)CC1CCCC1 1117675404 HFASCHBYTIHPQF-UHFFFAOYSA-N 294.315 -0.519 50 20 CBGD COC(=O)c1cc(C(=O)N2CC[C@H](B(O)O)C2)ccn1 1118914607 CKZGRJHVAQBVDC-VIFPVBQESA-N 278.073 -0.443 50 20 CBGD O=C(CC1CCC1)NNC(=O)CN1CCCC1=O 1119662104 BXXXIXJXZOLYII-UHFFFAOYSA-N 253.302 -0.054 50 20 CBGD CS(=O)(=O)CCC(=O)NNC(=O)Cc1cccnc1 1318287086 QCLYQUGGBFFQGY-UHFFFAOYSA-N 285.325 -0.794 50 20 CBGD COc1cccnc1NC(=O)NNC(=O)CCO 1320363690 HVOZFKMJWDVMBZ-UHFFFAOYSA-N 254.246 -0.375 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1cccc2ccncc12 1320532315 WPBGMBQEKFXGJE-UHFFFAOYSA-N 288.263 -0.687 50 20 CBGD C[C@H](Oc1cccc(C=NNC(=O)C(N)=O)c1)C(=O)O 1320771929 CKWAIOZCWMHEJP-ZETCQYMHSA-N 279.252 -0.526 50 20 CBGD Cc1nn(C)c(N)c1C=NNC(=O)C(=O)NC1CC1 1324253721 KEZPDMIRSUUSFL-UHFFFAOYSA-N 264.289 -0.961 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CNC(C)(C)C 1327168205 OJZCLVUHCBLXES-BDAKNGLRSA-N 257.334 -0.053 50 20 CBGD COC[C@H](C)NC(=S)NNC(=O)c1ccnnc1 1327559391 QRAJDONEDHRRJS-ZETCQYMHSA-N 269.330 -0.380 50 20 CBGD CCNC(=O)NNC(=O)c1cc(Cn2cccn2)on1 1327789243 GHFXKONEHPJVAJ-UHFFFAOYSA-N 278.272 -0.117 50 20 CBGD O=C(C[C@H]1CCC(=O)N1)NNc1ncncc1F 1334422340 SRIUVEHFNAUDBM-ZCFIWIBFSA-N 253.237 -0.273 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CN1CCC(CO)CC1 1335999140 IRGIWZRGJBYJFQ-CMPLNLGQSA-N 299.371 -0.737 50 20 CBGD CC(C)C(=O)NNC(=O)CCC(=O)N1CCC(O)CC1 1341403955 HSZRCBPAMBTJJO-UHFFFAOYSA-N 285.344 -0.447 50 20 CBGD O=C(CCO)NNC(=O)Nc1ccc2c(c1)NC(=O)CO2 1342675885 RPPXKEAEBKJRBM-UHFFFAOYSA-N 294.267 -0.447 50 20 CBGD O=C(CCC1CCOCC1)NNC(=O)[C@H]1CCC(=O)N1 1348479733 VGASYCHMNNUCMM-SNVBAGLBSA-N 283.328 -0.381 50 20 CBGD C[C@]1(C(=O)NNC(=O)[C@@H]2CCCCO2)CNCCO1 1576351166 XLEYEVBRZUZFFJ-JOYOIKCWSA-N 271.317 -0.919 50 20 CBGD Cc1cc(C(=O)NNC(=O)C[C@@H](N)C(F)F)n[nH]1 1579565408 LBHFMRMSHFURQR-RXMQYKEDSA-N 261.232 -0.538 50 20 CBGD NCCC(=O)NNC(=O)c1ccc(Cc2nc[nH]n2)cc1 1580281813 SXMUBUNEIQDAFB-UHFFFAOYSA-N 288.311 -0.495 50 20 CBGD Nc1nc(C2CC2)ncc1C(=O)NNC(=O)[C@@H]1CCN1 1580469149 ZTGLYXBDPMEHCI-QMMMGPOBSA-N 276.300 -0.941 50 20 CBGD O=C(NNC(=O)[C@@H]1CCN1)c1ccc(Cn2cccn2)o1 1580733192 PCRZXUHNIOAPKD-JTQLQIEISA-N 289.295 -0.353 50 20 CBGD CO[C@](C)(C(=O)O)C(=O)NNc1cc(C)nc(N)n1 1593926920 PNNKPDZVUDTVGA-JTQLQIEISA-N 269.261 -0.700 50 20 CBGD C[C@@]1(C(=O)NNc2ccc(C(=O)O)cn2)CCC(=O)N1 1599883138 ZIDXUUAWYWSDDW-LBPRGKRZSA-N 278.268 -0.108 50 20 CBGD C[C@@]1(C(=O)NNC(=O)C23CC(C(=O)O)(C2)C3)CCCO1 1604487088 BLZIBSCWIDOMIP-HIFPTAJRSA-N 282.296 -0.042 50 20 CBGD O=C(NNC(=O)N1CCO[C@H](C(=O)O)C1)C1CCCC1 1605815685 PYMVXMCWNJNMOC-VIFPVBQESA-N 285.300 -0.297 50 20 CBGD O=C(O)CCCCNCc1ccc(B(O)O)cc1 1606170364 MQDPDHNAXYKURF-UHFFFAOYSA-N 251.091 -0.289 50 20 CBGD COc1ccc(C)cc1NC(=O)C(=O)NNC(=O)C(=O)O 1607235154 ASTUKDUYGYFBEO-UHFFFAOYSA-N 295.251 -0.826 50 20 CBGD O=C(NCc1ccc(O)c(Cl)c1)NNC(=O)C(=O)O 1608468725 NOZUWOGOSKSXLB-UHFFFAOYSA-N 287.659 -0.039 50 20 CBGD O=C(O)c1coc(CNCc2cccc(B(O)O)c2)c1 1608989347 GGWVWRWRXAVGJW-UHFFFAOYSA-N 275.069 -0.053 50 20 CBGD CCOC1(CNC(=O)NNC(=O)C(=O)O)CCCC1 1610026034 SOZVJLUDFYPZQU-UHFFFAOYSA-N 273.289 -0.249 50 20 CBGD C#CCN1CCC(C(=O)NNC(=O)NC2CC2)CC1 49378045 URBGUPIRNLOXLB-UHFFFAOYSA-N 264.329 -0.176 50 20 CBGD CCNC(=O)CNC(=O)NNC(=O)Cc1ccc(F)cc1 193276189 MSKVBFBIVFTCDG-UHFFFAOYSA-N 296.302 -0.165 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1ccc(O)cc1O 272822505 OTIKTTLLWFIGEY-UHFFFAOYSA-N 281.268 -0.216 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCC[C@H](O)[C@@H]1C(=O)OC 275585394 OPIGTSJKTGPWPW-CJUJNCCTSA-N 282.296 -0.045 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])[nH]1 277960773 MOYFPRRXJSTUCX-UHFFFAOYSA-N 256.218 -0.545 50 20 CBGD Cc1ccc(NC(=O)NNC(=O)CO)cc1-n1cnnn1 368324246 OHQRMWKCUDDDBJ-UHFFFAOYSA-N 291.271 -0.884 50 20 CBGD CCCCN(CC(N)=O)C(=O)c1ccc(B(O)O)c(F)c1 584928865 MMSXXSATPCOHPB-UHFFFAOYSA-N 296.107 -0.767 50 20 CBGD O=C(NCCOCC1CC1)c1ccc(B(O)O)cc1 584943311 HNKSFAZLTBLXMV-UHFFFAOYSA-N 263.102 -0.477 50 20 CBGD C[C@H](CNC(=O)c1cccc(B(O)O)c1)C[C@@H](C)O 584950403 LZUAOHIFCDXZII-VHSXEESVSA-N 265.118 -0.497 50 20 CBGD O=C(N[C@@H](CCO)C1CC1)c1cc(B(O)O)ccc1F 584962217 BUGSTSNECSSNOW-LBPRGKRZSA-N 281.092 -0.604 50 20 CBGD C[C@@H](O)C[C@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 584965586 QBIIQXHISCMSQC-ZWNOBZJWSA-N 277.129 -0.258 50 20 CBGD C[C@]1(O)CCCN(C(=O)c2cccc(B(O)O)c2)C1 584970149 VBTXFFTUNJPCEX-ZDUSSCGKSA-N 263.102 -0.647 50 20 CBGD O=C(NCCN1CC=CCC1)c1ccc(B(O)O)c(F)c1 584986281 YIYDLHAPXMPMIE-UHFFFAOYSA-N 292.119 -0.503 50 20 CBGD C[C@H]1C[C@@H](CO)CN(C(=O)c2cccc(B(O)O)c2)C1 585000993 SKCMAWJMUUDUMK-WDEREUQCSA-N 277.129 -0.543 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@H]2COCC[C@H]2C1 585004510 GMCPDQGVXDALDZ-RYUDHWBXSA-N 275.113 -0.525 50 20 CBGD CC1CCN(CCNCc2ccc(B(O)O)o2)CC1 585016364 WSMUAXIPRORQJG-UHFFFAOYSA-N 266.150 -0.219 50 20 CBGD C[C@@H]1C[C@@H]1N1C[C@@H](NCc2ccc(B(O)O)o2)CC1=O 585024738 BQHKIBQLNLLSQZ-YWVKMMECSA-N 278.117 -0.942 50 20 CBGD CCC(CC)[C@@H](O)CNCc1ccc(B(O)O)o1 585029323 QMAIJXIPENDLOL-NSHDSACASA-N 255.123 -0.154 50 20 CBGD Cc1c(CNCc2ccccc2B(O)O)cnn1C 585035054 PEZMGHVZBNKMFG-UHFFFAOYSA-N 259.118 -0.302 50 20 CBGD COCC(COC)NCc1ccc(B(O)O)cc1F 585045025 ZOAUWWWZYDARHC-UHFFFAOYSA-N 271.097 -0.744 50 20 CBGD O=S(=O)(c1ccsc1)N1CC[C@@H](B(O)O)C1 585055504 AHRULMCKOFFVLC-SSDOTTSWSA-N 261.133 -0.015 50 20 CBGD CC(C)(C(=O)NCB(O)O)c1ccc2c(c1)OCCO2 585059396 MGECYVOIJABUMJ-UHFFFAOYSA-N 279.101 -0.136 50 20 CBGD CCCn1cc(C(=O)N2CC[C@H](B(O)O)C2)cn1 585066847 SBKVZNOOPJULIO-JTQLQIEISA-N 251.095 -0.018 50 20 CBGD Cc1ccc(F)cc1C(=O)C(=O)NNC(=O)CO 753444719 AOLPNFXOULAWMH-UHFFFAOYSA-N 254.217 -0.543 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CCOC[C@@H]1OCC 760131242 KKPZBTXSLWAMAC-UWVGGRQHSA-N 289.332 -0.453 50 20 CBGD O=C(Cn1cc(CO)nn1)NNC(=O)c1ccc(F)cc1 761785401 HVUSDOPXOXYDQQ-UHFFFAOYSA-N 293.258 -0.629 50 20 CBGD CCC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CO)c1 764421882 RQYNFPYJGJSRMZ-UHFFFAOYSA-N 293.279 -0.643 50 20 CBGD CNC(=O)NNC(=O)[C@H](O)c1cccc(OC)c1 764874184 MNWAPSMWTRSJQJ-SECBINFHSA-N 253.258 -0.311 50 20 CBGD CCCCNC(=O)NNC(=O)C1(NC(N)=O)CC1 767326213 CJXGOIBAYYYMGY-UHFFFAOYSA-N 257.294 -0.682 50 20 CBGD CO[C@H](C(=O)NNc1nccn(C)c1=O)C(C)C 771735812 DRPCXQYUXFTCKK-QMMMGPOBSA-N 254.290 -0.106 50 20 CBGD CC(C)[C@H](O)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 792856398 YDHGLRBMAVRQSW-UWVGGRQHSA-N 278.374 -0.504 50 20 CBGD C[C@@H]1CCCN(C(=O)C(=O)NNc2nccn(C)c2=O)C1 802554188 QFHYLNMCTGPBCJ-SECBINFHSA-N 293.327 -0.518 50 20 CBGD CN(C)C(=O)NNC(=O)COCc1ccccn1 805169755 BDNIRIIFHJQLBR-UHFFFAOYSA-N 252.274 -0.099 50 20 CBGD CN1CCN(C(=O)NNC(=O)COC2(C)CCC2)CC1 807382471 DKCDBCFUXRMVNX-UHFFFAOYSA-N 284.360 -0.066 50 20 CBGD CO[C@@H]1CCC[C@H](C(=O)NNC(=O)C(=O)NC2CC2)C1 814378751 DHSGUMZJISULNV-WCBMZHEXSA-N 283.328 -0.382 50 20 CBGD CN(C)C(=O)NNC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 815147425 WFIXEXCRGRGXDW-DTORHVGOSA-N 294.311 -0.760 50 20 CBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)c1ccccc1O 816830466 HYMQQYJGBQLYEW-SFYZADRCSA-N 277.280 -0.335 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@](C)(C#N)CC(=O)O 821305007 NTKRWVHXILCGRT-LBPRGKRZSA-N 278.268 -0.209 50 20 CBGD CN(CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)CC(C)(C)C 824857596 UYNHWDLMOWSZRL-VIFPVBQESA-N 284.360 -0.610 50 20 CBGD O=C(CO)NN=Cc1c[nH]c2ccc(-c3nn[nH]n3)cc12 826414891 LAPJXBDRDXSEAC-UHFFFAOYSA-N 285.267 -0.210 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCN(C)C(=O)[C@H]1C 827272860 CTHOVEJBHJIONR-UTLUCORTSA-N 298.343 -0.685 50 20 CBGD Cn1cc(C(=O)NNC(=O)Cn2cc(C3CC3)cn2)cn1 828087890 PSNPZFWZSRXXJB-UHFFFAOYSA-N 288.311 -0.045 50 20 CBGD CC1=NO[C@@H](C(=O)NNC(=O)Cc2ccncc2)C1 829561549 PGEXHVDHDAMVOU-SNVBAGLBSA-N 262.269 -0.064 50 20 CBGD CC[C@H]1CN(CC(=O)NNC(=O)C2CC2)CC[C@H]1N 843377635 RSZTZUNMKWHQCD-GXSJLCMTSA-N 268.361 -0.397 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(N)=O)o1 843977080 FORNHLYRMVTDRJ-RQJHMYQMSA-N 281.268 -0.436 50 20 CBGD CN(CC(Cl)Cl)C(=O)Cn1cnc(C(N)=O)n1 848085369 YAZGQXBGBOGKMG-UHFFFAOYSA-N 280.115 -0.361 50 20 CBGD COCCN(C)NC(=O)c1cccc(OCC(N)=O)c1 848377311 HPXUJPFNUIZGJZ-UHFFFAOYSA-N 281.312 -0.226 50 20 CBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=S)NCC1CCC1 855089709 CPHPOEDKZLCQKH-DTWKUNHWSA-N 284.385 -0.207 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@@H]1CCNC(=O)C1)C1CC1 855098372 GLAHYLXRHUFRFR-VXNVDRBHSA-N 284.385 -0.194 50 20 CBGD C[C@@H]1CC/C(=C\C(=O)NNC(=O)CS(C)(=O)=O)C1 863462215 LLOGDRHFTVUKRJ-GTUWVTDSSA-N 274.342 -0.075 50 20 CBGD CC1(C)OC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)O1 863876148 OZSCDUZVTZVJAR-LLVKDONJSA-N 279.101 -0.752 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@H]2CCCCO2)n[nH]1 869016063 ZWCIPOBOWLIMKR-SNVBAGLBSA-N 266.301 -0.023 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@H]2CC[C@H]1[C@@H](O)C2 887039271 GOQWSLKQZFTPJX-DCAQKATOSA-N 269.345 -0.365 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccccc1-n1cnnn1 910175622 QAIIGZGKUPGUOS-VIFPVBQESA-N 276.300 -0.380 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)CC1(O)CCCCC1 913730649 DCNAMOBJRYGMRH-UHFFFAOYSA-N 297.355 -0.159 50 20 CBGD O=C(NCCCO[C@@H]1CCOC1)NNC(=O)c1cn[nH]c1 1118859927 GIQTYTVDWSVYOV-SNVBAGLBSA-N 297.315 -0.451 50 20 CBGD CCCNC(=O)CCCC(=O)N1CC[C@H](B(O)O)C1 1118974621 IJLXBYDAPLQJSX-JTQLQIEISA-N 270.138 -0.242 50 20 CBGD Cc1nn(C)cc1CCC(=O)NNc1nccn(C)c1=O 1252518266 GWSDFOSQGAOHTE-UHFFFAOYSA-N 290.327 -0.102 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)C(=O)NC2CC2)n1 1255139939 LWFQYIBAFWZHAQ-UHFFFAOYSA-N 270.680 -0.566 50 20 CBGD C[C@@]1(CNC(=O)C(=O)NC2CNC2)C[C@@H]1Br 1261771637 CRGAAQQISIWPME-XVKPBYJWSA-N 290.161 -0.636 50 20 CBGD COC(=O)C(=O)NN=C1C(=O)N(C)c2ccccc21 1318909730 OVBYYILIZMUSOA-UHFFFAOYSA-N 261.237 -0.344 50 20 CBGD COc1cc(F)ccc1NC(=O)C(=O)NNC(=O)CCO 1320521145 OGZQAJRCDHMVFV-UHFFFAOYSA-N 299.258 -0.697 50 20 CBGD COC(=O)CCCC(=O)NNc1nnc(C)c(O)n1 1320532101 ROSNBSLDDWCLEQ-UHFFFAOYSA-N 269.261 -0.328 50 20 CBGD Cc1nnc(COCC(=O)NNC(=O)CN(C)C)s1 1323156436 TWYJHTOXNOLOGL-UHFFFAOYSA-N 287.345 -0.928 50 20 CBGD NC(=O)c1cccc(C(=O)N2CC[C@H](B(O)O)C2)c1 1329670658 DBCPOHPKAMXDRW-JTQLQIEISA-N 262.074 -0.526 50 20 CBGD CCOc1cc(C(=O)NNc2nnc(C)c(O)n2)[nH]n1 1331867277 DQMDXACZYXQFEM-UHFFFAOYSA-N 279.260 -0.236 50 20 CBGD CNC(=O)NNC(=O)CCC(=O)c1cnn(C)c1 1339604765 ROQPDIMKMSVYOF-UHFFFAOYSA-N 253.262 -0.657 50 20 CBGD Cn1ccc(NNC(=O)Cn2nc3n(c2=O)CCCC3)n1 1346304708 DDIUBDYDFMNMNO-UHFFFAOYSA-N 291.315 -0.742 50 20 CBGD COCCOCc1ccc(C(=O)NNC(=O)CCN)cc1 1579073214 KRFFJBNTVWNGHZ-UHFFFAOYSA-N 295.339 -0.041 50 20 CBGD NOCCCNC(=O)NNC(=O)CC(F)(F)F 1580360266 ZYLQEDJBARKTCQ-UHFFFAOYSA-N 258.200 -0.450 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)C(=O)O 1588843175 CTKJREUOVJWICL-SFYZADRCSA-N 288.300 -0.168 50 20 CBGD CC[C@H](C(=O)O)N(C)CC(=O)NNC(=O)C(C)C 1589440628 BCPJGUKPUSBISJ-MRVPVSSYSA-N 259.306 -0.415 50 20 CBGD COC(=O)N(C)NC(=O)c1ccc(-c2nn[nH]n2)o1 1591273097 SANVSDGVNSMZHL-UHFFFAOYSA-N 266.217 -0.197 50 20 CBGD COC(=O)N(C)N=C(C)c1cn(CC(=O)O)nn1 1598877375 GAJOBKCYYSNIME-UHFFFAOYSA-N 255.234 -0.215 50 20 CBGD O=C(Cn1cnnn1)NNc1ccc(C(=O)O)c(F)c1 1601390917 NAGKTHOJINUIFO-UHFFFAOYSA-N 280.219 -0.346 50 20 CBGD CCC(=O)NNC(=O)Nc1ccc(C(=O)O)nn1 1609881050 IWHGWAUIPHACOD-UHFFFAOYSA-N 253.218 -0.263 50 20 CBGD CN(C)C(=O)CN(C)S(=O)(=O)CCCCl 36881247 KMBNKUUSYWTFMM-UHFFFAOYSA-N 256.755 -0.035 50 20 CBGD CCN1C[C@H](C(=O)NNC(=O)c2cnn(C)c2)CC1=O 117683387 PBLZGCQUMYORNH-MRVPVSSYSA-N 279.300 -0.951 50 20 CBGD CN1CCN(S(=O)(=O)CBr)CC1=O 127493675 ARZZAQFCIQQMFX-UHFFFAOYSA-N 271.136 -0.557 50 20 CBGD O=C(CCC(=O)N1CCOCC1)NNC(=O)NCC1CC1 139408791 HLBXLZRVKLFBNV-UHFFFAOYSA-N 298.343 -0.634 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)CN(C)C)o1 269539223 POYCWHSMZRPZET-UHFFFAOYSA-N 269.257 -0.611 50 20 CBGD C[C@@H]1Oc2ccccc2N(CC(=O)NN(C)C(N)=O)C1=O 271359300 PJNAPWQAGLANLW-QMMMGPOBSA-N 292.295 -0.158 50 20 CBGD CN(NC(=O)CSc1nnnn1C1CC1)C(N)=O 271390641 UBBVLGWISMOYDE-UHFFFAOYSA-N 271.306 -0.858 50 20 CBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CO 273311370 VSENQAKTATVNAT-ZCFIWIBFSA-N 261.278 -0.961 50 20 CBGD O=C1CC(C(=O)NNC(=O)NCC(F)(F)F)C1 281280998 QFOBNSZIUZMRSR-UHFFFAOYSA-N 253.180 -0.142 50 20 CBGD CC[C@H](C)[C@H](NC(C)=O)C(=O)NNC(=O)C(C)(C)O 286750993 JVMQCHKNJJKOSI-CBAPKCEASA-N 273.333 -0.545 50 20 CBGD COC(=O)COCC(=O)NNc1nc(C)cc(OC)n1 289317182 WYBXRUNGICGKKM-UHFFFAOYSA-N 284.272 -0.574 50 20 CBGD CN1C[C@@H](C(=O)NNC(=O)NCc2ccco2)CC1=O 299247678 YFCUTJZFMVMNIH-QMMMGPOBSA-N 280.284 -0.412 50 20 CBGD COC(=O)NNC(=O)C1CCN(C(=O)N(C)C)CC1 495367317 OITXLKAWEWQWLB-UHFFFAOYSA-N 272.305 -0.233 50 20 CBGD CCOC(=O)NNS(=O)(=O)CCOCC1CC1 496122805 MSBYVFZUBACVNI-UHFFFAOYSA-N 266.319 -0.007 50 20 CBGD COC(=O)N(C)NC(=O)CN(C)C(=O)[C@H](C)n1cccn1 496160970 XQSFRMAQLGMFNC-VIFPVBQESA-N 297.315 -0.368 50 20 CBGD CN(C)C1(CNC(=O)c2cccc(B(O)O)c2)CCCC1 584929506 BKKSGLOJZTVQRP-UHFFFAOYSA-N 290.172 -0.029 50 20 CBGD CCN(CCNC(=O)c1cccc(B(O)O)c1)C1CC1 584943109 IUVJPUKRKLLDRB-UHFFFAOYSA-N 276.145 -0.420 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@H]1CO 584968249 VKSYSXZACBTSLI-VIFPVBQESA-N 267.065 -0.898 50 20 CBGD C=CCO[C@@H](C)CNC(=O)c1ccc(B(O)O)c(F)c1 584987603 WFGLNLOEZSIPPV-VIFPVBQESA-N 281.092 -0.174 50 20 CBGD C[C@](O)(CNCc1ccc(B(O)O)cc1F)C1CC1 585024349 UPLLMFXSXMRUPB-ZDUSSCGKSA-N 267.109 -0.244 50 20 CBGD CN1CCN(CCCNCc2ccc(B(O)O)cc2)CC1 585032302 FGRFMHKIZYQQCQ-UHFFFAOYSA-N 291.204 -0.907 50 20 CBGD OB(O)c1ccccc1CNCCCN1CCCC1 585032407 HPPJKSNCHBEBHC-UHFFFAOYSA-N 262.162 -0.058 50 20 CBGD CC1CCN(C(=O)C(=O)N2CC[C@H](B(O)O)C2)CC1 585063960 AHBWGLOYCZGUCL-JTQLQIEISA-N 268.122 -0.680 50 20 CBGD O=C(NNC(=O)[C@]12CCC(=O)N1CCS2)C1CCC1 732142550 XXTKTTDVNLQTRZ-GFCCVEGCSA-N 283.353 -0.001 50 20 CBGD CCCNC(=O)NNS(=O)(=O)C[C@@H]1CCCO1 735645282 BKASQSKQMXQVRX-QMMMGPOBSA-N 265.335 -0.291 50 20 CBGD O=C(CN1CCC2(CC1)C[C@@H]2C(=O)O)NNC(=O)C1CC1 739278486 MQCZXHLYIUAWJY-SNVBAGLBSA-N 295.339 -0.270 50 20 CBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)C1CCC1 746852575 MRVXFHYPUWBNIO-ZETCQYMHSA-N 262.331 -0.385 50 20 CBGD O=C(CO)NNC(=O)CCNC(=O)c1ccc(F)cc1 753436921 DWHVGAPUHXFOQM-UHFFFAOYSA-N 283.259 -0.915 50 20 CBGD CN1C(=O)CCc2cc(NC(=O)NNC(=O)CO)ccc21 756414957 AMFATLBGCWIUBG-UHFFFAOYSA-N 292.295 -0.259 50 20 CBGD C#CCNC(=S)NNC(=O)CNC(=O)c1ccco1 758218702 FJIXGXUMLAKPIL-UHFFFAOYSA-N 280.309 -0.862 50 20 CBGD CN1CCC(=NNC(=O)c2ccc(-n3cnnn3)cc2)C1=O 761766037 BWHZHJYEUBPJJE-UHFFFAOYSA-N 299.294 -0.390 50 20 CBGD CC(=NNC(=O)CO)c1ccc(S(=O)(=O)N(C)C)cc1 776780893 PYNMDOMBBZJDFB-UHFFFAOYSA-N 299.352 -0.231 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@H]1COC(C)(C)O1 783263069 RGQFUOIUFOOTFD-QMMMGPOBSA-N 275.305 -0.495 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc(OCC(N)=O)cc1 787947485 QCYDSYOYZPHLRW-UHFFFAOYSA-N 295.295 -0.917 50 20 CBGD CCN(CC)CC(=O)NNC(=O)N1CCN(C)CC1 788169585 RJDDTOQDVWSQEB-UHFFFAOYSA-N 271.365 -0.684 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)c2cccc(C)n2)CC1 794090213 PXHCSCFSBAPHKG-UHFFFAOYSA-N 276.296 -0.323 50 20 CBGD COCCN(C)NC(=O)C(C)(C)S(C)(=O)=O 808075656 WEIMXTMZSNUUCE-UHFFFAOYSA-N 252.336 -0.581 50 20 CBGD Cc1c[nH]nc1C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 814815636 FNALXXLQZYXEIV-MRVPVSSYSA-N 285.329 -0.462 50 20 CBGD C[C@@H](C(=O)NN(C)[C@H](C)CO)n1nnnc1C(C)(C)C 823940494 YFXGAOIRYZRNAG-BDAKNGLRSA-N 284.364 -0.125 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCCC(=O)N(C)C 843980272 SDIQKUCVIMHSDU-ZJUUUORDSA-N 285.344 -0.183 50 20 CBGD NC[C@@H]1CN(S(=O)(=O)CBr)CCCO1 850589394 UBTRGXAWKCNMPC-SSDOTTSWSA-N 287.179 -0.282 50 20 CBGD C[C@H](C(=O)NNC(=O)C1CC1)n1cnc2c(N)ncnc21 854180192 JCNZNFAKOOKHKY-ZCFIWIBFSA-N 289.299 -0.473 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NOCc2ccccc2)N1 858107720 WCHWJXOBBOEOOW-JTQLQIEISA-N 292.295 -0.273 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2C[C@H]2c2ccco2)N1 858545001 GQFHEHLTJYKMIK-IWSPIJDZSA-N 292.295 -0.256 50 20 CBGD CN(C)c1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 862452231 UUMNXDRBUFVZAR-SECBINFHSA-N 291.311 -0.813 50 20 CBGD CC(C)c1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)on1 862456333 XLXNKBKZPQBKSA-SSDOTTSWSA-N 280.284 -0.162 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc(F)ccc2O)N1 862457180 CMHFTPBGRCJPFS-QMMMGPOBSA-N 281.243 -0.429 50 20 CBGD COC(=O)C[C@@H](C)CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862459731 AKHKZNYHYZMKFR-YUMQZZPRSA-N 285.300 -0.998 50 20 CBGD COCCOCC(=O)NNC(=O)c1cccnc1C 869909349 SCSANNFZTKMTPU-UHFFFAOYSA-N 267.285 -0.186 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@@H]1CCCCO1 869910004 NNQSCIXZVJACMW-JTQLQIEISA-N 274.317 -0.244 50 20 CBGD COC(=O)N(C)NC(=O)NCC1([S@@](C)=O)CC1 875558729 JVJMKFKQBPZMJY-QGZVFWFLSA-N 263.319 -0.190 50 20 CBGD CCn1ncc(C(=O)NNC(=O)CN(C)C)c1C 878681276 LNKPPPABIVAZIN-UHFFFAOYSA-N 253.306 -0.466 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)[C@@H]1CCCC[C@H]1O 879142449 RBPZSDFYYVPQBA-GHMZBOCLSA-N 269.345 -0.221 50 20 CBGD CC[C@H](O)[C@@H](C)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 908281949 YKMHFWMJLSFVQA-MXWKQRLJSA-N 292.401 -0.114 50 20 CBGD Cc1nn(C)c(=O)c(C(=O)NN(C)C[C@@H](C)O)c1C 910160627 MDUINADYNZITKV-SSDOTTSWSA-N 268.317 -0.645 50 20 CBGD CCCCO[C@H](C)C(=O)NNC(=O)CN1CCCC1=O 920887958 REHHELATMXBVBZ-SNVBAGLBSA-N 285.344 -0.039 50 20 CBGD O=C(CN1CC[C@H](C2OCCO2)C1)NNC(=O)C1CC1 932002770 JMNLOMPQGCBDSY-JTQLQIEISA-N 283.328 -0.761 50 20 CBGD CS(=O)(=O)CC(=O)NNc1cc(Cl)nc(N)n1 1116642599 UYANKIBIXUKAGL-UHFFFAOYSA-N 279.709 -0.800 50 20 CBGD CN(C)C(=O)NNC(=O)COCc1ccnn1C 1117007397 ZPVOEJCJEZIYBS-UHFFFAOYSA-N 255.278 -0.761 50 20 CBGD O=C(CSc1n[nH]c(O)n1)NNc1ncncc1F 1117730608 MWCZELMPOFRPRC-UHFFFAOYSA-N 285.264 -0.325 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)CC(F)(F)F)CN1 1118720744 GSUGHSSJGCQCOY-YFKPBYRVSA-N 267.207 -0.388 50 20 CBGD CN1C(=O)CS/C1=C/C(=O)NNc1nccn(C)c1=O 1119454608 HMGNNPGMWZDORU-WEVVVXLNSA-N 295.324 -0.730 50 20 CBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1C[C@@H]1C1CC1 1261232849 WDQTUQDMLRTGRW-AEJSXWLSSA-N 286.353 -0.385 50 20 CBGD C[C@H](C(=O)NNC(=O)NCC1CC1)[C@@H]1CCC(=O)N1 1261792683 HOAWAVRPSMPSOC-CBAPKCEASA-N 268.317 -0.359 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCOc1cccc(C)c1 1319003008 GFEOYHYJJVHDJT-UHFFFAOYSA-N 295.295 -0.123 50 20 CBGD CN1CCN(CC(=O)NNC(=O)Cc2ccncc2)CC1 1319036029 POHXXZOHQQADIZ-UHFFFAOYSA-N 291.355 -0.981 50 20 CBGD C[S@](=O)Cc1cccc(C(=O)NNC(=O)CO)c1 1319869325 GGRSUEIVJBUNNT-SFHVURJKSA-N 270.310 -0.682 50 20 CBGD Cn1cnc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 1325010700 DHEMWMMDJMNCAJ-MRVPVSSYSA-N 270.314 -0.695 50 20 CBGD O=C(NNC(=O)c1ccc2nonc2c1)C(=O)NC1CC1 1327874970 CCOCMAOIWMISJY-UHFFFAOYSA-N 289.251 -0.738 50 20 CBGD N#CSCCCNC(=O)c1nnc(O)nc1O 1328370157 ZVDLCJKAEHNUFN-UHFFFAOYSA-N 255.259 -0.383 50 20 CBGD O=C(NNc1nc(-c2ccncc2)no1)C(=O)NC1CC1 1328454460 FGWVYAMRHLMCHP-UHFFFAOYSA-N 288.267 -0.147 50 20 CBGD CC(C)n1cc(NC(=O)NNC(=O)C(=O)NC2CC2)cn1 1329040066 QXOPHMGMSMGMJJ-UHFFFAOYSA-N 294.315 -0.105 50 20 CBGD Cn1ccnc(NNC(=O)CCc2ccon2)c1=O 1331121324 QDISFPXBMYIRGS-UHFFFAOYSA-N 263.257 -0.156 50 20 CBGD CCN1CCC[C@@H](NC(=O)NNC(=O)C(C)C)C1=O 1341252154 JUJPJNQKUFLROO-SECBINFHSA-N 270.333 -0.016 50 20 CBGD Cn1nc(C(=O)O)cc1C(=O)NNC(=O)[C@H]1CCCCO1 1594567608 BMCRWMFSJPCILL-SECBINFHSA-N 296.283 -0.552 50 20 CBGD CCOC(=O)c1ccc(C=NNC(=O)C(=O)O)o1 1596720981 QPFLFIHFGBXRDZ-UHFFFAOYSA-N 254.198 -0.009 50 20 CBGD COc1cccnc1CNC(=O)NNC(=O)C(=O)O 1599719418 DALQLNRNFJCHLZ-UHFFFAOYSA-N 268.229 -0.995 50 20 CBGD O=C(NCCn1cc(C(=O)O)nn1)NNc1cccnn1 1601516814 LYDKVROPGLJRLY-UHFFFAOYSA-N 292.259 -0.907 50 20 CBGD O=C(O)CNC(=O)NN=C1C(=O)Nc2cc(F)ccc21 1602071276 LMKKEFSCQHDIHD-UHFFFAOYSA-N 280.215 -0.134 50 20 CBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccccc1 5633231 MQWUOMCMVCQSIU-UHFFFAOYSA-N 285.325 -0.479 50 20 CBGD O=C(NNC(=O)c1ccc2[nH]c(=O)[nH]c2c1)NC1CC1 49150515 GUBXWVJLQMSNBH-UHFFFAOYSA-N 275.268 -0.037 50 20 CBGD CN(C)c1ccccc1NC(=O)NNC(=O)CO 183549563 VFYKXEWOJFBMHC-UHFFFAOYSA-N 252.274 -0.102 50 20 CBGD COC(=O)CCCNC(=O)NNC(=O)Cc1ccncc1 267131101 JYJWHGQTKFJLID-UHFFFAOYSA-N 294.311 -0.092 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)c1ccncc1 268355486 VTOPHQCUMKBRIZ-SECBINFHSA-N 279.300 -0.320 50 20 CBGD C[C@@H]1C[C@@H](C)[C@H](C(=O)NNc2ccc(C(N)=O)nn2)O1 282092943 DCTHJCRKIRJPSM-BRDIYROLSA-N 279.300 -0.168 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNc1cnccn1 378438798 LFSHKGPXXWBLEI-SECBINFHSA-N 251.290 -0.360 50 20 CBGD COC(=O)NNS(=O)(=O)c1cn(C)c(Cl)n1 496203563 BWTAIPMJGQQTPW-UHFFFAOYSA-N 268.682 -0.377 50 20 CBGD CC[C@H]1C[C@H](C(=O)Nc2cccc(B(O)O)c2)CC(=O)N1 584911950 BBPUHPDWJJCOHQ-ONGXEEELSA-N 290.128 -0.390 50 20 CBGD C[C@@H](CC#N)N(C)C(=O)c1ccc(B(O)O)c(F)c1 584943411 SLCSOXMNAJYPEE-QMMMGPOBSA-N 264.065 -0.120 50 20 CBGD CCO[C@@H](C)CNC(=O)c1ccc(B(O)O)c(F)c1 584953138 RQFOMCGRNGPTOD-QMMMGPOBSA-N 269.081 -0.340 50 20 CBGD CS[C@H](CO)[C@H](C)NC(=O)c1ccc(B(O)O)cc1 584962824 LBAOFTIJZKFQCN-GZMMTYOYSA-N 283.158 -0.791 50 20 CBGD C[C@H](CNC(=O)c1cccc(B(O)O)c1)c1nncn1C 584978809 DHAFURQDXRVRCV-SECBINFHSA-N 288.116 -0.972 50 20 CBGD CC(C)(C)[C@H](CO)NC(=O)c1cc(B(O)O)ccc1F 584983675 ZDKKTCDGNCNNHV-NSHDSACASA-N 283.108 -0.358 50 20 CBGD CCN1C[C@H](C)N(C(=O)c2cccc(B(O)O)c2)[C@H](C)C1 584998959 UDATTYPFOUFJSG-TXEJJXNPSA-N 290.172 -0.079 50 20 CBGD O=C(N[C@@H]1C[C@@H]1C(F)F)c1ccc(B(O)O)c(F)c1 585002946 IJGFGFHPJBHZRB-IMTBSYHQSA-N 273.019 -0.111 50 20 CBGD O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(B(O)O)c(F)c1 585003336 OYOZRPKLXLGNKQ-FXAINCCUSA-N 279.076 -0.445 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC2(COC2)C1 585008798 MHQWMZVOSHTVBG-UHFFFAOYSA-N 279.076 -0.632 50 20 CBGD O=C1C[C@H](CNCc2ccccc2B(O)O)CN1C1CC1 585045424 HUYFTPONSGGIOO-LLVKDONJSA-N 288.156 -0.533 50 20 CBGD CN1C[C@@H](CNCc2ccc(B(O)O)cc2F)CC1=O 585047985 YYCNOWPISZLYKT-SECBINFHSA-N 280.108 -0.927 50 20 CBGD CCN(Cc1ccccc1)S(=O)(=O)NCB(O)O 585056405 VGXIYPYKRLOTPW-UHFFFAOYSA-N 272.135 -0.645 50 20 CBGD CN1CCN(S(=O)(=O)CBr)CCC1=O 688934975 VBXRVFZIXDWGJH-UHFFFAOYSA-N 285.163 -0.167 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]1CCOC1 741764452 JXKVQHRFZPJABG-RKDXNWHRSA-N 277.346 -0.547 50 20 CBGD Cn1ccnc(NNC(=O)[C@H]2CC(=O)N(C3CC3)C2)c1=O 747945778 QKPIKWKEGRMYBD-QMMMGPOBSA-N 291.311 -0.766 50 20 CBGD CC(C)OCCNC(=O)NNC(=O)c1cnn(C)c1 754296577 RFHRZINVJQGIMQ-UHFFFAOYSA-N 269.305 -0.211 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)[nH]1 755283476 YKQMFNWATDNLPM-UHFFFAOYSA-N 258.241 -0.387 50 20 CBGD O=C(CO)NNC(=O)c1ccnc(O[C@H]2CCOC2)c1 758543826 RZZMXZQFGYAXTB-VIFPVBQESA-N 281.268 -0.997 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)Sc1nnc(CC)n1N 768400741 XFDXEKHJVAJEMO-LURJTMIESA-N 286.361 -0.408 50 20 CBGD C#C[C@H](NC(=O)NNC(=O)c1cnn(C)c1)[C@@H]1CCCO1 773553820 ALHWMZSDNQCVTC-QWRGUYRKSA-N 291.311 -0.455 50 20 CBGD COC(=O)CNC(=O)COC(=O)/C(C#N)=C\C1CC1 786670351 QCATXIWIAOOIFC-WTKPLQERSA-N 266.253 -0.321 50 20 CBGD CC(=O)NCc1ccc(C(=O)NNC(=O)C(C)(C)O)cc1 787950355 VENFCNVZEANOGQ-UHFFFAOYSA-N 293.323 -0.145 50 20 CBGD Cc1ccnc(-n2nccc2NC(=O)NNC(=O)CO)c1 788299863 DWVSWRFQLKENAI-UHFFFAOYSA-N 290.283 -0.279 50 20 CBGD CCOC(=O)[C@@H](C)[C@H](C)NCC(=O)NNC(=O)C1CC1 801540927 HHTRPGFKCUPKLY-IUCAKERBSA-N 285.344 -0.279 50 20 CBGD CN1CCN(CC(=O)NNc2ncccc2F)CC1 804214146 ROCBKNYDCZGBGZ-UHFFFAOYSA-N 267.308 -0.089 50 20 CBGD Cn1ncc(C=NNC(=O)c2ccc(O)c(O)c2)n1 814920502 ONFZDZVURPUTLE-UHFFFAOYSA-N 261.241 -0.010 50 20 CBGD CCOC(=O)/C(C#N)=C/N[C@H]1CCC(=O)N(C)C1=O 818997290 XGBPJHPFQFSEBV-FLOXNTQESA-N 265.269 -0.306 50 20 CBGD Cc1nn(C)c(-n2cccn2)c1C(=O)NN(C)[C@@H](C)CO 823935899 YAGJTBUNKKMHAF-VIFPVBQESA-N 292.343 -0.128 50 20 CBGD Nc1nccnc1C(=O)NNc1cccc(-c2nn[nH]n2)c1 826396644 GPWSKTLTVSBXPL-UHFFFAOYSA-N 297.282 -0.004 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cnc2n1CCC2 826755206 TXMSTDQEHYBXMM-UHFFFAOYSA-N 274.284 -0.064 50 20 CBGD Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CCNC1=O 830332219 RGRIGVSEJZZQNX-LLVKDONJSA-N 275.308 -0.179 50 20 CBGD CO[C@@H](CS(=O)(=O)NNC(=O)N(C)C)C(C)C 842578952 BHEDINKVPHSEAN-QMMMGPOBSA-N 267.351 -0.237 50 20 CBGD CCNC(=O)CCCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843973776 LRFCWHYYFSXFLJ-ZJUUUORDSA-N 285.344 -0.135 50 20 CBGD CN(CCN1CCCCC1)CC(=O)NNC(=O)C1CC1 844465147 WIBUVRLQLTUSCX-UHFFFAOYSA-N 282.388 -0.039 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)N1 846633570 AVCKYPSLQBEXNU-SSDOTTSWSA-N 277.346 -0.738 50 20 CBGD O=C(NNc1ccc(Cl)nn1)[C@@H]1CCS(=O)(=O)N1 846635658 YPMYPJDIVXTMIT-YFKPBYRVSA-N 291.720 -0.735 50 20 CBGD O=C(NNC(=O)[C@@]12CCC(=O)N1CCS2)c1cc[nH]n1 855362832 WHPNWBRHQOILJX-NSHDSACASA-N 295.324 -0.764 50 20 CBGD N#CC1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCCC1 862449488 GVRIAAZECLOATI-QMMMGPOBSA-N 264.285 -0.504 50 20 CBGD O=C(CC[C@@H]1CCCCO1)NNC(=O)[C@@H]1CCC(=O)N1 862454667 IPZCIFBLMHQPTH-UWVGGRQHSA-N 283.328 -0.238 50 20 CBGD COC(=O)c1ccc(C=NNC(=O)CS(C)(=O)=O)[nH]1 863190087 ZUIJXEDJPQKATD-UHFFFAOYSA-N 287.297 -0.704 50 20 CBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)c1ccccc1O 863854680 WEUHCYBRMYWPEY-NSHDSACASA-N 279.296 -0.076 50 20 CBGD CC1=C(C)C(=O)N(CCC(=O)NNC(=O)C(C)C)C1=O 899947246 QABYHOWDFOKGCV-UHFFFAOYSA-N 281.312 -0.115 50 20 CBGD O=C(NNC(=O)C(F)F)c1ccc(-n2cnnn2)cc1 913156057 RDTOBKAUVXLRMM-UHFFFAOYSA-N 282.210 -0.312 50 20 CBGD C=C[C@](C)(O)CC(=O)NNC(=O)Cc1cc[nH]n1 1117740743 TUPCGDKTZGFJDM-NSHDSACASA-N 252.274 -0.573 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ncc[nH]1 1118278999 CLFSFEKVZHIWMH-IUCAKERBSA-N 266.301 -0.085 50 20 CBGD COC(=O)[C@H]1C[C@@H](C(=O)NNC(=O)Cc2ccncc2)C1 1120950354 VUDVEMLZZHSBSA-PHIMTYICSA-N 291.307 -0.029 50 20 CBGD Cc1nn(C)c(Cl)c1C=NNC(=O)CS(C)(=O)=O 1261832804 BEWPMQFQCMDUFB-UHFFFAOYSA-N 292.748 -0.123 50 20 CBGD CNS(=O)(=O)c1cc(C(=O)NN(C)C(N)=O)c(C)o1 1319973686 UEMGFECTBOZTMG-UHFFFAOYSA-N 290.301 -0.849 50 20 CBGD O=C1COc2ncc(C(=O)NNc3cccnn3)cc2N1 1320057370 LFUCPOSMAZTSCM-UHFFFAOYSA-N 286.251 -0.041 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cccc2nn[nH]c12 1320576416 FIAAXBYMVFKERL-UHFFFAOYSA-N 290.283 -0.757 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(CO)n1 1320813656 SHXFFLRMFVCDHO-RXMQYKEDSA-N 273.318 -0.665 50 20 CBGD COC(=O)NNC(=O)c1ccnc(C(=O)OC)c1 1326698686 NINOBWJVBITFFK-UHFFFAOYSA-N 253.214 -0.131 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@@H](C)c1nnc(C)o1 1337753905 WIEIBZOVZDWRCU-RQJHMYQMSA-N 269.305 -0.025 50 20 CBGD CN(N)C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl 1573877439 QRCWWEQRMACHNV-VIFPVBQESA-N 298.730 -0.354 50 20 CBGD C=CC[C@H](NNC(=O)c1ccc(=O)n(C)c1)C(=O)O 1588750320 VTSVDRALDHXWNU-VIFPVBQESA-N 265.269 -0.351 50 20 CBGD C[C@@H]1O[C@H](C)[C@H](NC(=O)NNC(=O)C(=O)O)[C@@H]1C 1594636246 QXJNWWXINBKPSH-XZBKPIIZSA-N 259.262 -0.787 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)[C@@H]1CC(C(=O)O)=NO1 1605351024 KPEGHGKIYVJEOZ-JTQLQIEISA-N 291.263 -0.014 50 20 CBGD COc1ccc(NC(=O)C(=O)NNC(=O)C(=O)O)c(C)c1 1610341946 YQELRMOLTOAJEH-UHFFFAOYSA-N 295.251 -0.826 50 20 CBGD C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1801595340 RTFKDRZNTBBSPH-LMLFDSFASA-N 284.743 -0.143 50 20 CBGD CCOC(=O)NNC(=O)Cn1cc([N+](=O)[O-])nc1C 49446839 YPECYPRUJPLSAG-UHFFFAOYSA-N 271.233 -0.123 50 20 CBGD CNC(=O)NNC(=O)CCNC(=O)c1cccs1 56375261 AQMRUKPYDCJNNE-UHFFFAOYSA-N 270.314 -0.172 50 20 CBGD CN1CC[C@@H](NC(=O)NNc2cncc(Cl)n2)C1=O 172627464 IXLQFIYANYYDFP-ZCFIWIBFSA-N 284.707 -0.013 50 20 CBGD O=C(CO)NNC(=O)c1ccc(-n2ccnn2)cc1 182765861 COMSDMGMKYJBNW-UHFFFAOYSA-N 261.241 -0.979 50 20 CBGD COc1ccnc(C(=O)NNC(=O)Cc2cc[nH]n2)c1 186103211 ZIMAEMTZRMXNOD-UHFFFAOYSA-N 275.268 -0.183 50 20 CBGD COc1cc(OC)c(OC)cc1C=NNC(=O)C(N)=O 254668965 JLSLUZIPAYXBBU-UHFFFAOYSA-N 281.268 -0.352 50 20 CBGD CC[C@H](C(=O)NNC(=O)C1CC1)N1CCCC1=O 266167453 RJZGPUIGOWRZGT-SECBINFHSA-N 253.302 -0.055 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H](C)CC(=O)OC 268201700 AWCWJSKVZYAZDC-SSDOTTSWSA-N 259.331 -0.133 50 20 CBGD CC1(C(=O)NNC(=O)CNC(=O)c2cccs2)COC1 272752550 MHFYJNIEEKGBRG-UHFFFAOYSA-N 297.336 -0.338 50 20 CBGD C[C@@H](Cn1ccnc1)NC(=O)NNC(=O)[C@@H]1CCCO1 291583311 GNXFOOGCXNCYGY-UWVGGRQHSA-N 281.316 -0.219 50 20 CBGD COC(=O)N(C)NC(=O)N1CCS(=O)(=O)CC1 496941327 GDFKZTGBDMZWNM-UHFFFAOYSA-N 265.291 -0.960 50 20 CBGD CCCN1CCC(NC(=O)c2cccc(B(O)O)c2)CC1 584925009 CBQFRKPBGDQSJY-UHFFFAOYSA-N 290.172 -0.029 50 20 CBGD C[C@@H](CNC(=O)c1cccc(B(O)O)c1)Cn1cccn1 584930999 WDNDPIZEKQCCJC-NSHDSACASA-N 287.128 -0.371 50 20 CBGD C[C@H](CCO)NC(=O)c1cc(B(O)O)ccc1F 584960512 QQTKXRRISBDOQJ-SSDOTTSWSA-N 255.054 -0.994 50 20 CBGD C[C@@](CO)(NC(=O)c1cc(B(O)O)ccc1F)C1CC1 584963039 OPDDKVSPXGBANE-ZDUSSCGKSA-N 281.092 -0.604 50 20 CBGD O=S1(=O)CCC[C@@H](NCc2ccc(B(O)O)cc2)C1 585025515 WEJCSVYIKPDLQW-GFCCVEGCSA-N 283.158 -0.967 50 20 CBGD Cc1cc(NNC(=O)C2=NN(C)C(=O)CC2)ncn1 734253974 DKHLPTOFDWPIDN-UHFFFAOYSA-N 262.273 -0.164 50 20 CBGD CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)NCC2CC2)C1 746838397 FMOUERGHIMYGTD-CYBMUJFWSA-N 282.344 -0.015 50 20 CBGD CN1CCC[C@@H](NC(=O)NNc2cccnn2)C1=O 748664660 MJYCSXBPHUEBPT-MRVPVSSYSA-N 264.289 -0.277 50 20 CBGD C[C@@H](C(=O)NNC(=O)CN(C)C)c1cnn(C)c1 750240733 ZVORIYFUTGUNTQ-MRVPVSSYSA-N 253.306 -0.767 50 20 CBGD Cc1c(C(=O)NNC(=O)CO)cnn1CCC(C)C 753444698 PFXQLYBKVMCJQC-UHFFFAOYSA-N 268.317 -0.009 50 20 CBGD COc1cc(NC(=O)NNC(=O)c2c[nH]nc2C)ncn1 757758621 JHTKBSMWOXMQTH-UHFFFAOYSA-N 291.271 -0.017 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[S@@](=O)C[C@@H](C)C1 763876249 JDEOQQVTVMHOCS-ZPEMSAPTSA-N 289.401 -0.367 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2CCCCO2)nc1O 772388147 OIDLAGNBYYXCBP-SSDOTTSWSA-N 253.262 -0.102 50 20 CBGD CC#CCCNC(=O)NNC(=O)[C@H](C)OCCOC 776204451 DTYWLZXWYPFENK-JTQLQIEISA-N 271.317 -0.218 50 20 CBGD Cn1cncc1CC(=O)NNC(=O)c1cccn1C 776320988 PSRPDUVFRKNZEB-UHFFFAOYSA-N 261.285 -0.238 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1cc[nH]n1 787782970 HSGSVRHOPANXIU-ZETCQYMHSA-N 268.273 -0.559 50 20 CBGD O=C(CO)NNC(=O)Nc1cc(Br)ccn1 794333031 IAHNVCMHQFUJJS-UHFFFAOYSA-N 289.089 -0.011 50 20 CBGD COCc1ncsc1C(=O)NNC(=O)C(C)(C)O 803159607 PGBYVMNRGLVGRV-UHFFFAOYSA-N 273.314 -0.179 50 20 CBGD COCC(=O)NN=Cc1ccc(F)c(S(N)(=O)=O)c1 807977269 YUYGBSDBSRMWDF-UHFFFAOYSA-N 289.288 -0.430 50 20 CBGD COC[C@@H](C)[C@H](C)C(=O)NNC(=O)C(=O)NC1CC1 812452900 DLQZPZZQNPIYBO-SFYZADRCSA-N 271.317 -0.669 50 20 CBGD CN(CC(Cl)Cl)C(=O)[C@@H](CO)NC(N)=O 819843898 WNGRTHWHQLRUKU-SCSAIBSYSA-N 258.105 -0.722 50 20 CBGD CCCCC[C@@H](O)C(=O)NNC(=O)C(=O)N1CCCC1 822896739 WMMFLZCSHOHWCV-SNVBAGLBSA-N 285.344 -0.303 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@@]1(C)CCNC1=O)C1CC1 824328985 YWXXSEBJEAHMQH-KRTXAFLBSA-N 284.385 -0.194 50 20 CBGD O=C(COC(F)(F)F)NNC(=O)c1cc[nH]n1 824835652 ZPYAIERQIXWVSA-UHFFFAOYSA-N 252.152 -0.293 50 20 CBGD COC(=O)CCCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 825566759 ODWFKSLCAXBORV-RKDXNWHRSA-N 287.316 -0.305 50 20 CBGD CSCCNC(=S)NNC(=O)[C@H](O)C1CC1 831575247 CDKZKNQWQXBWCR-SSDOTTSWSA-N 263.388 -0.384 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](N)[C@H](C)C1 843353680 MTCNUMPRTPJXQK-UTLUCORTSA-N 256.350 -0.399 50 20 CBGD NC(=O)c1csc(CNS(=O)(=O)CCl)n1 849466125 BSDAYKVRYRIPHO-UHFFFAOYSA-N 269.735 -0.142 50 20 CBGD CO[C@H](C)CNC(=O)NNC(=O)N=c1cc[nH]cc1 852535147 VWJRLVQSZTXEQJ-MRVPVSSYSA-N 267.289 -0.126 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CCCc2nn[nH]c21 854188236 ZJLUOUFJNGSNSX-SSDOTTSWSA-N 280.357 -0.094 50 20 CBGD CC[C@@H]1C[C@H]1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858512558 SUVRTDFLHFNLMK-HRDYMLBCSA-N 268.317 -0.359 50 20 CBGD CS[C@H](C)CCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862459995 CSIKHEYMGQCKKJ-SFYZADRCSA-N 273.358 -0.056 50 20 CBGD CC/C(C)=C(/C)C(=O)NNC(=O)CS(C)(=O)=O 863464037 DTHQCXYYZJKLNN-FPLPWBNLSA-N 262.331 -0.075 50 20 CBGD C[C@@H]1CC(=NC(=O)c2cc(B(O)O)ccc2F)NO1 863877760 JAARBGDCUDQVPE-ZCFIWIBFSA-N 266.037 -0.642 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@H](C(F)F)C1 868098005 RFRDDYSJGDMTLV-SNVBAGLBSA-N 285.055 -0.528 50 20 CBGD COC(=O)N(C)NC(=O)N[C@H](C)C[S@@](C)=O 875485141 OBUNJRBSKWKGKW-ADNUTGFCSA-N 251.308 -0.334 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H]1C[C@H](N)C1(C)C 883442522 NARTWCNOOJSJHU-CIUDSAMLSA-N 256.350 -0.352 50 20 CBGD O=C(NNc1cnccn1)C1CN([C@H]2CCOC2)C1 896380531 KNIYCVUOXKELSD-JTQLQIEISA-N 263.301 -0.360 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@H]1CCC(=O)NC1 899991875 CWRZOBLGXHCDAT-ZETCQYMHSA-N 272.374 -0.194 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cccc(C(N)=O)c1 910174779 WZHFABYIMXELAO-MRVPVSSYSA-N 251.286 -0.257 50 20 CBGD CC(C)CC(=O)NNC(=O)c1c[nH]c(C(N)=O)c1 916739425 FPLUZXCNRHQERL-UHFFFAOYSA-N 252.274 -0.079 50 20 CBGD CC(=O)NNC(=O)[C@H]1CC(c2cn(C)nc2C)=NO1 929183637 YVXDGHBIDAKNAD-SNVBAGLBSA-N 265.273 -0.611 50 20 CBGD C[C@H](O)c1cn(CC(=O)NNC(=O)c2cccn2C)nn1 1116286120 SAOCOGIGZJZGTL-QMMMGPOBSA-N 292.299 -0.869 50 20 CBGD CC[C@@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)N(C)C 1116293914 LZTCRDVRFJUTMI-VIFPVBQESA-N 293.327 -0.492 50 20 CBGD C[C@H]1C[C@@H](CNC(=O)NNC(=O)C(=O)NC2CC2)CCO1 1116457077 GZBSWPYYBRWQBU-IUCAKERBSA-N 298.343 -0.590 50 20 CBGD CCc1nnc(O)c(C(=O)N2CC[C@@H](B(O)O)C2)c1CC 1118974995 KTJFPELSFDNOOB-MRVPVSSYSA-N 293.132 -0.004 50 20 CBGD Cc1nnc(NNC(=O)[C@@H]2CCN(C)C(=O)C2)nc1O 1248568658 NGVCOOVXOCOXIA-SSDOTTSWSA-N 280.288 -0.803 50 20 CBGD CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cn(C)cn1 1261894260 QLNWMNIVTBISIY-SECBINFHSA-N 284.341 -0.305 50 20 CBGD COC(=O)C(=O)NN[C@H](Cc1ccc(Cl)cc1)C(N)=O 1320177213 IYIHBVMKFMAJDM-SECBINFHSA-N 299.714 -0.470 50 20 CBGD Cc1cc(NC(=O)C(=O)NNC(=O)C2CC2)sn1 1324614777 JYCYWRNTCLIJAX-UHFFFAOYSA-N 268.298 -0.053 50 20 CBGD CC1(Cn2cc(C(=O)NNc3ncccn3)nn2)COC1 1325403904 DFDHFFMHAMVZEA-UHFFFAOYSA-N 289.299 -0.139 50 20 CBGD Cn1nnc2c1C[C@@H](C(=O)NNc1ncccn1)CC2 1327647946 TXCJKWQINZKEEY-QMMMGPOBSA-N 273.300 -0.147 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H](OC)C(F)(F)F 1330488838 KBBBIGDGTTYWRP-SCSAIBSYSA-N 287.194 -0.933 50 20 CBGD CC(=O)NCc1ccc(C(=O)NN(C)C(N)=O)cc1 1337073007 OAQADQCEGUOGTG-UHFFFAOYSA-N 264.285 -0.022 50 20 CBGD Cc1cc(=NNC(=O)C2=NOC3(CNC3)C2)cc[nH]1 1579635523 HVFIPFJMCRUPBW-UHFFFAOYSA-N 261.285 -0.627 50 20 CBGD C[C@H](O)c1ncc(C=NNC(=O)NCC(=O)O)s1 1593481378 JKIPJPKFLMPFNF-YFKPBYRVSA-N 272.286 -0.086 50 20 CBGD O=C(O)CCCC(=O)NNC(=O)C(=O)N1CCCC1 1595027753 JOSAPXWQXAWFRF-UHFFFAOYSA-N 271.273 -0.989 50 20 CBGD COC(=O)CC1CC(=NNC(=O)NCC(=O)O)C1 1598845963 MFLZASIODJCDLO-UHFFFAOYSA-N 257.246 -0.301 50 20 CBGD Cn1nc(C(=O)O)cc1NC(=O)NNC(=O)C1CC1 1601004854 JZJZPJSTVKVAOJ-UHFFFAOYSA-N 267.245 -0.319 50 20 CBGD O=C1CC[C@@H](C(=O)NNc2ccc(C(=O)O)cn2)CN1 1602639166 YUPJQXBROJGFSM-SSDOTTSWSA-N 278.268 -0.251 50 20 CBGD CCOC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)c(O)c1 1609234405 ISMJTCUITFVZKW-UHFFFAOYSA-N 292.255 -0.037 50 20 CBGD COc1ccc(CNC(=O)NNC(=O)C(=O)O)cc1F 1610335062 PDNULKRRYWVBMY-UHFFFAOYSA-N 285.231 -0.251 50 20 CBGD O=C(NCc1ccc2c(c1)OCO2)NNC(=O)C(=O)O 1610698070 KUQZJBFXGDEEPQ-UHFFFAOYSA-N 281.224 -0.670 50 20 CBGD CC(C)C(=O)NNC(=O)Cn1nnc2ccccc2c1=O 15727190 HGRXLOMMUCDQCY-UHFFFAOYSA-N 289.295 -0.405 50 20 CBGD COCC(=O)NNC(=O)COc1ccccc1F 42084456 DIXBVARXUOAWTE-UHFFFAOYSA-N 256.233 -0.002 50 20 CBGD CCCSCC(=O)NNC(=O)C(=O)NC1CC1 48397144 JYQLMEKIFSVQJG-UHFFFAOYSA-N 259.331 -0.444 50 20 CBGD CNC(=O)NNC(=O)CNC(=O)NCc1ccco1 48950813 DREDGZIAWUSEEW-UHFFFAOYSA-N 269.261 -0.961 50 20 CBGD CN(C)C(=O)CNC(=S)NNC(=O)NCc1ccco1 144912745 DBKQUJKWYTYZMM-UHFFFAOYSA-N 299.356 -0.454 50 20 CBGD CCc1c(C(=O)NNC(=O)CO)cnn1CC(C)C 182744226 ZXGFCLPAFPYHHC-UHFFFAOYSA-N 268.317 -0.145 50 20 CBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cccc(C)n1 279772608 HKOAUEVWPVHFJN-DTWKUNHWSA-N 277.280 -0.040 50 20 CBGD CCOC(=O)COCCNC(=O)NNc1ccc(C)nn1 297216462 USOGARXIXLMTKS-UHFFFAOYSA-N 297.315 -0.009 50 20 CBGD CC(=O)NCCCNC(=O)NNC(=O)CC(C)C 298667331 KJQQNGHSPBYCQV-UHFFFAOYSA-N 258.322 -0.111 50 20 CBGD O=C(NNS(=O)(=O)c1cccs1)N1CCOCC1 299450732 SRJYRQRMZOUOLZ-UHFFFAOYSA-N 291.354 -0.017 50 20 CBGD C[C@H](NC(=O)c1ccc(B(O)O)cc1)[C@H](C)n1cncn1 584943296 HMAYATWNSLRGMI-UWVGGRQHSA-N 288.116 -0.663 50 20 CBGD COCCC1(CNC(=O)c2ccc(B(O)O)cc2)CC1 584965807 TXRSXEWMDVQGDC-UHFFFAOYSA-N 277.129 -0.087 50 20 CBGD C[C@H]1OCC[C@]1(C)NC(=O)c1ccc(B(O)O)c(F)c1 584973076 LDFQAHHKYWDJBG-OQPBUACISA-N 281.092 -0.197 50 20 CBGD C[S@@](=O)C1(CNC(=O)c2ccc(B(O)O)cc2)CC1 584986496 FVZXJIBWFRDZHF-LJQANCHMSA-N 281.142 -0.993 50 20 CBGD CCN(C[C@H](C)O)C(=O)c1ccc(B(O)O)cc1 584988545 PVPDQTNHCOKUTD-VIFPVBQESA-N 251.091 -0.791 50 20 CBGD C[C@@H]([C@@H](C)NCc1ccc(B(O)O)o1)N1CCOCC1 585023839 MKVSQOVREJZTMV-MNOVXSKESA-N 282.149 -0.842 50 20 CBGD CC[C@@H](C)[C@H](CO)NCc1ccccc1B(O)O 585025444 UOZFYCKLISOYFB-MFKMUULPSA-N 251.135 -0.137 50 20 CBGD COc1ccc(SCC(=O)NCB(O)O)cc1 585057904 NPECBWLUQKWHBU-UHFFFAOYSA-N 255.104 -0.085 50 20 CBGD O=C(CNC(=O)CC1CCCCC1)NCB(O)O 585061666 CPENOEBXYUGBLG-UHFFFAOYSA-N 256.111 -0.799 50 20 CBGD O=[N+]([O-])c1cnc2ccc(N3CC[C@H](B(O)O)C3)nn12 585078542 GIAKYMCMJDCSEB-ZETCQYMHSA-N 277.049 -0.309 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)CN1CCCC1=O 726139802 HGWMODDFWKFANV-UHFFFAOYSA-N 272.374 -0.097 50 20 CBGD O=C1CC(C(=O)NNC(=O)c2c[nH]c3ccccc23)=NN1 731865394 OBDPVQQCLACJSS-UHFFFAOYSA-N 285.263 -0.195 50 20 CBGD O=C(CNC(=O)c1cccs1)NNC(=O)C1=COCC1 734126202 ZXEYTSJMIMTNSC-UHFFFAOYSA-N 295.320 -0.071 50 20 CBGD COCCN1CC[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)C1 739035307 MHHZRVYXIPPQIW-SNVBAGLBSA-N 295.343 -0.321 50 20 CBGD CN(C)C(=O)NNC(=O)CNC(=O)c1ccncc1 746519063 CDYDOLCHBQLQBU-UHFFFAOYSA-N 265.273 -0.886 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cnsn1 751202492 FAKDHDHHCAPUNB-UHFFFAOYSA-N 295.280 -0.678 50 20 CBGD CC(C)[C@@H](NS(C)(=O)=O)C(=O)NNc1cccnn1 753090723 YHTWEZYJYQBQRX-SECBINFHSA-N 287.345 -0.507 50 20 CBGD C[C@@]1(C(=O)NNC(=O)C(=O)N2CCCC2)CCOC1 755209447 CTHCPMCGLFEUDZ-GFCCVEGCSA-N 269.301 -0.817 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CCc2n[nH]cc2C1 756947604 LQGKCKCKWVNZEW-SSDOTTSWSA-N 251.290 -0.135 50 20 CBGD CCOC(=O)[C@H](CO)NS(=O)(=O)CBr 758504800 UTLHEFIVNGFELO-YFKPBYRVSA-N 290.135 -0.818 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)C)[C@@H]1CCNC1=O 759439681 YFLRRQBRJCVCNR-MRVPVSSYSA-N 270.333 -1.000 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H]1CCCCS1(=O)=O 772451652 WTGROSAJEWHEFL-QMMMGPOBSA-N 277.346 -0.306 50 20 CBGD CN1CCN(CC(=O)NNc2ccc(C#N)cc2)CC1=O 780952454 WHDHKDSTJIOSES-UHFFFAOYSA-N 287.323 -0.225 50 20 CBGD CCC[C@]1(C)C(=O)NCCN1CC(=O)NNC(=O)C1CC1 782658994 VOVPLLHSSYICHJ-CQSZACIVSA-N 296.371 -0.466 50 20 CBGD N#CSCCCNC(=O)C1=NN(CCO)C(=O)CC1 819698783 MOQVYAHPCQRDIX-UHFFFAOYSA-N 284.341 -0.322 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H]([C@H](C)N)C1 843353300 GDNIEJKIVDXTIX-DCAQKATOSA-N 270.377 -0.009 50 20 CBGD CC(=O)N[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)C(C)C 843644838 GJIMDALYXUDUCU-IEBDPFPHSA-N 285.344 -0.281 50 20 CBGD CC(C)C(=O)NNC(=O)CN(C)[C@@H]1CCC(=O)N(C)C1 846921446 UVBTZZMKPCTNOM-SNVBAGLBSA-N 284.360 -0.658 50 20 CBGD O=C(NNS(=O)(=O)C1CC1)c1cccc(F)n1 853052131 XPZJWVGTXZLJFP-UHFFFAOYSA-N 259.262 -0.053 50 20 CBGD Cn1nc(C(=O)NNC(=O)[C@H]2CCCCO2)cc1O 854683811 UQEOVTDLWVCPDJ-MRVPVSSYSA-N 268.273 -0.544 50 20 CBGD C[C@]1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1(F)F 862462888 ZYZPSSPKUHGOFH-SSDLBLMSSA-N 261.228 -0.542 50 20 CBGD CCC(=NNC(=O)CS(C)(=O)=O)[C@@H]1CCOC1 863189441 MSJHKAUPBXXVDI-MRVPVSSYSA-N 262.331 -0.050 50 20 CBGD CN1C(=O)CN(CC(=O)NNc2ccc(Cl)nn2)C1=O 863879273 PRUVNQNSTUTIAZ-UHFFFAOYSA-N 298.690 -0.533 50 20 CBGD CCC[C@H](OC)C(=O)NNC(=O)COCCOC 869904095 PJYFKQCACUCBKD-VIFPVBQESA-N 262.306 -0.388 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@](C)(O)C(C)C 869907163 DBTAKDGSDQLMSE-NSHDSACASA-N 262.306 -0.796 50 20 CBGD OB(O)c1ccccc1CNCCO[C@@H]1CCOC1 897200511 WTSGBZIHPKJCDZ-GFCCVEGCSA-N 265.118 -0.739 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=S)NC(C)(C)C 899992468 YPRLHJPRTPQSBJ-UHFFFAOYSA-N 276.362 -0.022 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CC(c2cccnc2)=NO1 910151977 IASOWWOIPNWEAT-SKDRFNHKSA-N 278.312 -0.082 50 20 CBGD CC(=O)N1CC[C@@](C)(C(=O)NN(C)C[C@@H](C)O)C1 910161749 ANJHVRZFRPIXRD-BXKDBHETSA-N 257.334 -0.411 50 20 CBGD CON(C)CCNC(=O)/C(C#N)=C/c1cnn(C)c1 912161492 CEBWRALURUMUKS-IZZDOVSWSA-N 263.301 -0.064 50 20 CBGD CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)CN1CCCC1=O 913732574 AYUBWCRHTMDEGU-SKDRFNHKSA-N 285.344 -0.183 50 20 CBGD O=C(c1ccc(-n2ccnc2)nc1)N1CC[C@@H](B(O)O)C1 1118916670 RGPWDNPBGWQRJJ-LLVKDONJSA-N 286.100 -0.044 50 20 CBGD O=C(NNC(=O)[C@@]1(F)CCOC1)C1CCOCC1 1119288327 ATVLEPAAOHLKQA-LLVKDONJSA-N 260.265 -0.311 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cncnc1C(C)C 1248693522 SXIZEGAZBNUHJD-UHFFFAOYSA-N 293.327 -0.114 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@H]1CCC(=O)N1 1261745882 TVXVBNJPBAPSCX-YIZRAAEISA-N 269.301 -0.773 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1cc[nH]n1 1318922202 VGUZYBNBFBFEID-QMMMGPOBSA-N 285.304 -0.708 50 20 CBGD Cc1cc(NC(=O)C(=O)NNC(=O)CO)n(C(C)(C)C)n1 1320358029 LTWIPDZSHCOJBK-UHFFFAOYSA-N 297.315 -0.975 50 20 CBGD C[C@@H](CS(C)(=O)=O)C(=O)NNc1ncncc1F 1327965862 RIGNGKXBBYAPAO-LURJTMIESA-N 276.293 -0.261 50 20 CBGD CN(C[C@H]1CCCOC1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1329192193 RKZOXJNKLZZTBS-NXEZZACHSA-N 298.343 -0.636 50 20 CBGD C#CCN1CCC[C@@H](NCc2ccc(B(O)O)cc2)C1 1334400922 AJZODRMFTDBLNJ-OAHLLOKOSA-N 272.157 -0.446 50 20 CBGD CS(=O)(=O)CCCC(=O)NNc1ncc(F)cn1 1341255320 CTIVTVZWDPARCE-UHFFFAOYSA-N 276.293 -0.116 50 20 CBGD O=C(CCO)NNC(=O)C(=O)Nc1ccc2[nH]ncc2c1 1342608622 VZVQZZNASSITMT-UHFFFAOYSA-N 291.267 -0.969 50 20 CBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)CC(F)(F)F 1349952537 YTVIYVUTPJTXIE-JGVFFNPUSA-N 294.277 -0.526 50 20 CBGD CNC[C@H](O)[C@@H](C)C(=O)NNC(=S)Nc1ccccn1 1578647841 XGIIVEYUDKYBET-BDAKNGLRSA-N 297.384 -0.384 50 20 CBGD Cc1ccccc1CC(=O)NNC(=O)[C@@]1(C)C[C@@H](O)CN1 1579796339 AGWZBDCDCQCBQF-IUODEOHRSA-N 291.351 -0.202 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@H]1C(=O)O)c1cccnn1 1594783201 VSFKENRGVVDSMT-NKWVEPMBSA-N 264.241 -0.652 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@](C)(C#N)CC(=O)O 1603479650 HMBCMIRZUFQTHA-JOAULVNJSA-N 283.284 -0.437 50 20 CBGD O=C(O)C1=NO[C@@H](C(=O)NNC(=O)C2CCC2)C1 1611362182 PIGYLLRWULVQSJ-SSDOTTSWSA-N 255.230 -0.837 50 20 CBGD CCN1C[C@@H](C(=O)NNC(=O)Cc2cccnc2)CC1=O 103423939 TWOLLIYPVIPRRM-NSHDSACASA-N 290.323 -0.360 50 20 CBGD CN1CCN(CC(=O)NNC(=O)c2ccccc2)CC1=O 119335302 MPPJLRNWMBNGKY-UHFFFAOYSA-N 290.323 -0.778 50 20 CBGD O=C(NC[C@@H]1CCCCO1)NNC(=O)C(=O)NC1CC1 139500770 YSEDNSUSLUBDKQ-VIFPVBQESA-N 284.316 -0.836 50 20 CBGD CC#CCCCC(=O)NNC(=O)C(=O)N1CCCC1 186016104 ZDDKFQNAEIUPAZ-UHFFFAOYSA-N 265.313 -0.050 50 20 CBGD COC(=O)N(C)NC(=O)c1nnn(-c2ccn(C)n2)c1C 293746652 WJXPHCXEERRJQT-UHFFFAOYSA-N 293.287 -0.348 50 20 CBGD O=C(NC[C@@H](O)C(F)(F)F)c1ccc(B(O)O)cc1 584961719 VGDGGHBMLBTHCC-MRVPVSSYSA-N 277.007 -0.981 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCOC[C@@H]1C1CC1 584968393 WYRQOENMPSIRIU-CYBMUJFWSA-N 293.103 -0.244 50 20 CBGD CN(C(=O)c1ccc(B(O)O)cc1)[C@H]1CCCOC1 584989093 XCHQDJZELXDIHR-LBPRGKRZSA-N 263.102 -0.383 50 20 CBGD C[C@H](CNC(=O)c1ccc(B(O)O)c(F)c1)CN(C)C 584993088 VXENJPUXEGQWKT-SECBINFHSA-N 282.124 -0.567 50 20 CBGD C[C@@](CO)(CCF)NC(=O)c1ccc(B(O)O)cc1 585010631 NYQDNMXYUZDMTQ-LBPRGKRZSA-N 269.081 -0.793 50 20 CBGD C[C@H](CN1CCOCC1)NCc1ccc(B(O)O)cc1F 585016074 RAYNCRQCQSJYRS-LLVKDONJSA-N 296.151 -0.684 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@@H](C)CN1CCN(C)CC1 730134221 SSDYNNZHUJJDAU-NSHDSACASA-N 285.392 -0.391 50 20 CBGD O=C(CNC(=O)c1ccco1)NN=Cc1ncc[nH]1 731153185 DVARIEHVMQFXHS-UHFFFAOYSA-N 261.241 -0.117 50 20 CBGD CCNS(=O)(=O)CCNC(=O)NNC(=O)C(C)(C)C 731685337 YUQAYPBNCZLAQT-UHFFFAOYSA-N 294.377 -0.698 50 20 CBGD COC(C)(C)CNC(=O)NNC(=O)c1cnn(C)c1 743674957 OTCBCXPPXLQUHQ-UHFFFAOYSA-N 269.305 -0.211 50 20 CBGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNC(=O)C(C)C 743737886 HPNNERHQBFPXRK-UHFFFAOYSA-N 269.261 -0.097 50 20 CBGD O=C(CO)NNC(=O)c1ccnc(N2CCCCC2)n1 753445695 SSAGPDBAIKYRNB-UHFFFAOYSA-N 279.300 -0.780 50 20 CBGD CNC(=O)c1cccc(NC(=O)NNC(=O)COC)c1 755514568 NAYVCGBKAKMJHB-UHFFFAOYSA-N 280.284 -0.155 50 20 CBGD CCS(=O)(=O)NCC(=O)NNC(=O)NC1CCCC1 758816774 LCPXWELOTCPXKZ-UHFFFAOYSA-N 292.361 -0.801 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H]1CCNC(=O)C1 760451086 ZBWRFYRIGIUHME-QMMMGPOBSA-N 256.306 -0.357 50 20 CBGD Cc1nc(C(=O)NNc2ccnc(N(C)C)n2)no1 766507264 DMWYKIRPMUSXTJ-UHFFFAOYSA-N 263.261 -0.009 50 20 CBGD CCOCC(=O)NN=C(C)c1cn(CC(=O)OC)nn1 772843604 XGCUSXMDUONNDT-UHFFFAOYSA-N 283.288 -0.672 50 20 CBGD COc1cncc(C(=O)NNC(=O)c2ccncc2)n1 790097815 ZTTGEBIPHNJOFR-UHFFFAOYSA-N 273.252 -0.045 50 20 CBGD Cc1nonc1C(=O)NNC(=O)N=c1cc[nH]cc1 802035510 FGGVWOAGIZYINV-UHFFFAOYSA-N 262.229 -0.339 50 20 CBGD Cn1ncc(C(=O)NNc2cc(Cl)nc(N)n2)n1 803096250 GWKIXJLHVBAMIG-UHFFFAOYSA-N 268.668 -0.402 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NN=Cc1cnccn1 807956688 AXWYFVSZZIMXMX-LLVKDONJSA-N 277.328 -0.105 50 20 CBGD COC[C@H](C)[C@@H](C)C(=O)NNC(=O)C(=O)NC1CC1 812452899 DLQZPZZQNPIYBO-JGVFFNPUSA-N 271.317 -0.669 50 20 CBGD O=C(NNC(=O)C1CC1)c1cnn2c1OCCC2 814203815 ODWRYIIZFOLFHX-UHFFFAOYSA-N 250.258 -0.163 50 20 CBGD CCOC(=O)N1CSC[C@@H]1C(=O)NN(C)C[C@@H](C)O 822562976 FJIRENMWMVADSZ-RKDXNWHRSA-N 291.373 -0.138 50 20 CBGD CCN(CCO)NC(=O)c1ccc(C(=O)NC)nc1 823856500 TVLCIDZXYUDZLA-UHFFFAOYSA-N 266.301 -0.600 50 20 CBGD C[C@H](Cc1cnn(C)c1)C(=O)NN(C)[C@H](C)CO 823917601 LEQNFDVECHAWLU-NXEZZACHSA-N 254.334 -0.058 50 20 CBGD CO[C@@H]1COC[C@H]1NC(=O)NNC(=O)c1ccc[nH]1 827913834 PLJPSJJBGLQRLT-RKDXNWHRSA-N 268.273 -0.628 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H](CN)CC(C)C 841952994 ADMBJWBQMCTBBN-VIFPVBQESA-N 260.338 -0.273 50 20 CBGD O=C(CN1CCCCC[C@@H]1CO)NNC(=O)C1CC1 847018789 ZFWRUYMVYLOKIV-LLVKDONJSA-N 269.345 -0.219 50 20 CBGD CNc1nccc(C(=O)NNC(=O)N(C)C)c1[N+](=O)[O-] 847402444 DSQZHMJDEBOQQN-UHFFFAOYSA-N 282.260 -0.053 50 20 CBGD CONC(=O)NNC(=O)CCCNC(=O)C(C)(C)C 852590503 PNSNNCKKCJYRHV-UHFFFAOYSA-N 274.321 -0.179 50 20 CBGD CCc1c(C(=O)NNC(=O)c2cc[nH]n2)cnn1C 855358426 JOCOOZJOSINATI-UHFFFAOYSA-N 262.273 -0.220 50 20 CBGD C[C@@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(F)(F)F 858461811 XFBCLZKXESTGAO-RFZPGFLSSA-N 282.222 -0.454 50 20 CBGD O=C(NNC(=O)C1(C(=O)NC2CC2)CCC1)c1cn[nH]c1 862471333 AEBAROGPKNFLFJ-UHFFFAOYSA-N 291.311 -0.380 50 20 CBGD CCO[C@@H]1CC(=NNC(=O)CS(C)(=O)=O)[C@H]1OC 863183497 CPKHEDYLNBTQGJ-PSASIEDQSA-N 278.330 -0.673 50 20 CBGD CC[C@@](C)(NC(=O)c1cc(B(O)O)ccc1F)C(=O)OC 863872252 OTAFUNSSMPWBAT-CYBMUJFWSA-N 297.091 -0.423 50 20 CBGD C#C[C@H](NC(=O)c1cc(B(O)O)ccc1F)[C@@H]1CCCO1 863879211 OKXIRFMHVDYKQM-STQMWFEESA-N 291.087 -0.584 50 20 CBGD CCOC(=O)/C(C#N)=C/NCCOCC(=O)OC 864349952 ZRFIARBDQWMLDS-VQHVLOKHSA-N 256.258 -0.264 50 20 CBGD COCCOCC(=O)NN=C(C)CCC(=O)N(C)OC 872399500 FHNIJYZACOSBQM-UHFFFAOYSA-N 289.332 -0.059 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H]1C1OCCO1 888447481 QVHVHRLULXROAO-GFCCVEGCSA-N 291.112 -0.656 50 20 CBGD CC(C)Cn1ccc(C(=O)NNC(=O)CN(C)C)n1 896127798 BFGHZARMWUWXPR-UHFFFAOYSA-N 267.333 -0.138 50 20 CBGD CCn1nccc1C(=O)NNC(=O)C(=O)N1CCCC1 1116675362 BYSMSQAWDQBZAU-UHFFFAOYSA-N 279.300 -0.714 50 20 CBGD CCCNC(=O)NNC(=O)Cn1cc([C@H](C)O)nn1 1253048188 ARDFFYCYVGBTDI-ZETCQYMHSA-N 270.293 -0.928 50 20 CBGD Nc1cnnc(NNC(=O)[C@@H]2CCNC2=O)c1Cl 1261728463 TZAOQGLIFQQXQL-SCSAIBSYSA-N 270.680 -0.709 50 20 CBGD Cc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)c(O)n1 1320419053 AUXCQHXRCVLUMV-UHFFFAOYSA-N 275.268 -0.178 50 20 CBGD COc1cccc(NC(=O)C(=O)NNC(C)=O)c1F 1321300986 NDGGCRURPHFUQV-UHFFFAOYSA-N 269.232 -0.060 50 20 CBGD COCCCNC(=O)NNC(=O)c1nccnc1N 1322884869 AJUCYSJSUMYONV-UHFFFAOYSA-N 268.277 -0.961 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCn1cccn1 1326279072 IEQLFDQOJCKKNA-VHSXEESVSA-N 281.316 -0.362 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@@H]1CCOC(=O)N1 1328833208 BCLBJHGRIXBVIA-VIFPVBQESA-N 278.268 -0.730 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 1330487237 CQLNFCCHMOWRLW-XLPZGREQSA-N 285.300 -0.697 50 20 CBGD CN(CCN)C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br 1331119628 HFZFSONNPMGDNN-OIBJUYFYSA-N 292.177 -0.307 50 20 CBGD C=C[C@@](C)(O)CC(=O)NNC(=O)C1CCOCC1 1353030164 MTLYZKKQYMIYCA-GFCCVEGCSA-N 256.302 -0.113 50 20 CBGD CC1(C)C[C@]1(C(=O)O)C(=O)NNC(=O)c1cccnn1 1573667885 MNWMWTKAVCNXES-GFCCVEGCSA-N 278.268 -0.262 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H](N)CCN(C)C 1579374492 QDNYGIOIDLTTDZ-QMMMGPOBSA-N 293.462 -0.876 50 20 CBGD O=C(NNC(=O)C1CCC1)N[C@H]1C[C@H](C(=O)O)C1 1594782756 KHEFYMBTSWUXGV-ZKCHVHJHSA-N 255.274 -0.020 50 20 CBGD CN(C)C(=O)/C=C\C(=O)NNc1ccc(C(=O)O)cn1 1598121609 JYVJISYOSKHVHA-WAYWQWQTSA-N 278.268 -0.133 50 20 CBGD COC(=O)c1cc(C=NNC(=O)NCC(=O)O)cn1C 1598928128 KOAQCDMXFUWERF-UHFFFAOYSA-N 282.256 -0.471 50 20 CBGD Cc1cc(NNC(=O)C2(C(=O)O)CC2)nc(N)n1 1600282954 GQZWKCPKCUIOEY-UHFFFAOYSA-N 251.246 -0.325 50 20 CBGD COc1ccnc(NNC(=O)[C@H]2COCCO2)n1 30886626 SMEGSHRGEHKTKK-SSDOTTSWSA-N 254.246 -0.656 50 20 CBGD N[C@@H]1CCCN(CC(=O)NNC(=O)c2ccccc2)C1 41029804 DCFKQPHQZNEQER-GFCCVEGCSA-N 276.340 -0.129 50 20 CBGD CNC(=O)NNC(=O)c1ccc(S(C)(=O)=O)cc1 42309257 XSNDNKRXYHYDQH-UHFFFAOYSA-N 271.298 -0.336 50 20 CBGD CNC(=O)NNC(=O)c1ccc(N)c([N+](=O)[O-])c1 48949033 ZYUGWWXCWICNIU-UHFFFAOYSA-N 253.218 -0.249 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cn(-c2ccccc2)nn1 113426164 KBZDFWWVEPLLMB-UHFFFAOYSA-N 288.311 -0.410 50 20 CBGD COc1nccnc1NNC(=O)[C@H](C)n1cncn1 131996897 IEABDIGELSSCTP-ZETCQYMHSA-N 263.261 -0.219 50 20 CBGD NNC(=O)CCNS(=O)(=O)/C=C/c1ccccc1 194120610 JEKXCFBCDXOBIH-VQHVLOKHSA-N 269.326 -0.043 50 20 CBGD CC(C)N1CCC(NC(=O)c2cccc(B(O)O)c2)CC1 204257214 TWAMUKSLFPENBV-UHFFFAOYSA-N 290.172 -0.031 50 20 CBGD CCNC(=O)N(C)NC(=O)c1c(OC)ncnc1OC 274543210 SVBXEEMMVPJUCY-UHFFFAOYSA-N 283.288 -0.200 50 20 CBGD C=CCNC(=S)NNC(=O)Cn1c(C)cc(O)cc1=O 281381371 XFVVYNWUDABIPH-UHFFFAOYSA-N 296.352 -0.456 50 20 CBGD C#CCCCC(=O)NNC(=O)N1CCN(C)CC1 287981935 NKMSUEGISUIFAM-UHFFFAOYSA-N 252.318 -0.222 50 20 CBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CO)cc1 292139403 JJADUWAGFLRNNI-UHFFFAOYSA-N 273.314 -0.628 50 20 CBGD C[C@@H]1CC(=O)N[C@H](C(=O)NNC(=O)c2ccccn2)C1 292664965 LDOFDPDODCDGFV-WPRPVWTQSA-N 276.296 -0.243 50 20 CBGD COC(=O)NNC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 490576081 JLQGHTGSAJPRCK-OCAPTIKFSA-N 283.284 -0.451 50 20 CBGD COc1ncc(/C=C\C(=O)NNC(=O)N(C)C)cn1 493038596 JADFJPQVMYWOPM-PLNGDYQASA-N 265.273 -0.199 50 20 CBGD C[C@H]1CN(C)CC[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584936334 CFUHJSOROCHLMN-ZANVPECISA-N 294.135 -0.425 50 20 CBGD CC[C@H](COC)NC(=O)c1ccc(B(O)O)c(F)c1 584947968 ANUIRGQZVDCTMO-SECBINFHSA-N 269.081 -0.340 50 20 CBGD CC[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)c1nc[nH]n1 584950315 LHVGASKSXDVKCN-JTQLQIEISA-N 292.079 -0.495 50 20 CBGD CC(C)[C@@](C)(O)CNC(=O)c1ccc(B(O)O)c(F)c1 584954800 ONOPRAVQLCHKEA-ZDUSSCGKSA-N 283.108 -0.358 50 20 CBGD CC1(NC(=O)c2ccc(B(O)O)cc2)CCOCC1 584964798 IUPIBVSCLXFAGE-UHFFFAOYSA-N 263.102 -0.335 50 20 CBGD O=C(N[C@H]1CCO[C@@H]1C1CC1)c1ccc(B(O)O)c(F)c1 584968370 WLWWEIIUBCNESH-QWHCGFSZSA-N 293.103 -0.197 50 20 CBGD CC1(C)[C@@H](O)C[C@H]1NC(=O)c1cc(B(O)O)ccc1F 584973034 CONRQEQBOWDDNR-MNOVXSKESA-N 281.092 -0.605 50 20 CBGD OB(O)c1ccccc1CNCCCNc1ncccn1 585016162 IRBZBMIIYGOEBX-UHFFFAOYSA-N 286.144 -0.252 50 20 CBGD CC(C)(C)N1C[C@H](NCc2ccccc2B(O)O)CC1=O 585026329 LSWYOQCCHYYMRP-GFCCVEGCSA-N 290.172 -0.145 50 20 CBGD CC(C)(C)C(=O)NCCNCc1ccc(B(O)O)cc1F 585026823 KMEYVIYDRCCIPV-UHFFFAOYSA-N 296.151 -0.243 50 20 CBGD CC(C)(C)C(=O)NCCNCc1cccc(B(O)O)c1 585027195 OYIZTMNRJZSNRF-UHFFFAOYSA-N 278.161 -0.382 50 20 CBGD CC(=O)N1CCC[C@H](CNCc2ccc(B(O)O)o2)C1 585038540 BKFXDYVQWPCAAT-LLVKDONJSA-N 280.133 -0.693 50 20 CBGD CN1CCO[C@H](c2nc(-c3cccc(B(O)O)c3)no2)C1 585051796 DVVQUORFPRGSRO-NSHDSACASA-N 289.100 -0.581 50 20 CBGD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCB(O)O 585054494 MANLTSOFSODNPE-UHFFFAOYSA-N 274.063 -0.806 50 20 CBGD Cc1nn(C)c(N2CC[C@@H](B(O)O)C2)c1[N+](=O)[O-] 585073748 OPNLSXQEFICLIN-SSDOTTSWSA-N 254.055 -0.310 50 20 CBGD Cc1nn(C)c(N2CC[C@H](B(O)O)C2)c1[N+](=O)[O-] 585073754 OPNLSXQEFICLIN-ZETCQYMHSA-N 254.055 -0.310 50 20 CBGD CNC(=O)c1ccc(C(=O)NNC(=O)C2CC2)cn1 728511208 DPEKLMQGEHMTNP-UHFFFAOYSA-N 262.269 -0.388 50 20 CBGD COCCOCCNC(=O)NNC(=O)C1CCC1 732242782 IDOOMSJCAOUCKF-UHFFFAOYSA-N 259.306 -0.220 50 20 CBGD Cc1cc(C(=O)NNC(=O)C2CC2)ccc1S(N)(=O)=O 736544074 XJYJOCQUSLFNKJ-UHFFFAOYSA-N 297.336 -0.187 50 20 CBGD CN(C)c1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cn1 755286502 MNXBAIFXZGJJBP-UHFFFAOYSA-N 288.311 -0.126 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCc1ccncn1 755630079 GCDBZGLXJUEYHV-VIFPVBQESA-N 294.311 -0.102 50 20 CBGD CCOCC(=O)NNC(=O)Nc1ccn(CCC#N)n1 756655030 MVQMBYQTXXDJEK-UHFFFAOYSA-N 280.288 -0.014 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cnn(C)c2N)n[nH]1 758369280 CVUVCONNKMWRNK-UHFFFAOYSA-N 263.261 -0.891 50 20 CBGD CCc1ncc(S(=O)(=O)NNC(=O)NC)s1 763374657 UXDHGXCUTIHZRY-UHFFFAOYSA-N 264.332 -0.172 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCc1cscn1 768261867 POABTRHZLRVKRP-UHFFFAOYSA-N 257.315 -0.006 50 20 CBGD CCCCNC(=O)NNC(=O)C1(O)CCOCC1 772411234 UBCNKGFJDIAMCG-UHFFFAOYSA-N 259.306 -0.342 50 20 CBGD COC[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@H](C)O1 784374087 WMFLZYTXXNZLDL-MWLCHTKSSA-N 285.344 -0.721 50 20 CBGD CO[C@H](C(=O)NNc1ccc(C(N)=O)nn1)C1CC1 792651067 YPLLAVKJYZPEFJ-VIFPVBQESA-N 265.273 -0.556 50 20 CBGD O=C(Cc1cc[nH]n1)NN=C1CCCS(=O)(=O)C1 814957034 KEJJEDMHAPHFPS-UHFFFAOYSA-N 270.314 -0.367 50 20 CBGD CC(C)(C)C(=O)NNC(=O)c1nc2ncccn2n1 822253191 VCIKQOFJSWSLRB-UHFFFAOYSA-N 262.273 -0.069 50 20 CBGD NC(=O)c1ccc(/C=C/C(=O)NNC(=O)NC2CC2)o1 823767005 BUAHVTDYPVTNPG-GQCTYLIASA-N 278.268 -0.116 50 20 CBGD Cc1nc(CC(=O)NNC(=O)NCc2ccco2)n[nH]1 823799971 WNHSBYAUKIHCEE-UHFFFAOYSA-N 278.272 -0.221 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccc(-n2ccnc2)nn1 823964842 FCHHQCAUKKLVSN-SECBINFHSA-N 276.300 -0.380 50 20 CBGD COC(OC)C(=O)NNC(=S)N[C@H](C)C1CC1 824327238 CPZBYCTYNUAOKM-ZCFIWIBFSA-N 261.347 -0.101 50 20 CBGD CN(CC1CC1)S(=O)(=O)NNC(=O)[C@H]1CCCCO1 830034200 NDGRUSMPWVZNAV-SNVBAGLBSA-N 291.373 -0.237 50 20 CBGD CCS(=O)(=O)N[C@H](C)C(=O)NNc1cccnn1 832040034 XMTIHLIMKIYPND-SSDOTTSWSA-N 273.318 -0.753 50 20 CBGD CCS(=O)(=O)N[C@H](C)C(=O)NNc1cnccn1 832394749 AZAHIFKUPBYMIG-SSDOTTSWSA-N 273.318 -0.753 50 20 CBGD COc1ccc2c(c1)C(=NNC(=O)CO)C(=O)N2C 844590853 WOZKOFGZHGSZIF-UHFFFAOYSA-N 263.253 -0.516 50 20 CBGD C[C@H]1CCN(CC(=O)NNC(=O)C2CC2)C[C@H]1CO 856795165 BLEPGUBHYFFSED-ONGXEEELSA-N 269.345 -0.506 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CC2(Cl)Cl)N1 862450726 ZXSILKQJDVUGGG-UHNVWZDZSA-N 280.111 -0.394 50 20 CBGD COc1cc(C=NNC(=O)[C@H]2CCC(=O)N2)cc(O)c1O 863144841 BUJOKOVMIZWBFW-MRVPVSSYSA-N 293.279 -0.165 50 20 CBGD CCOC(=O)[C@H](CC(C)C)NNC(=O)[C@H]1CCC(=O)N1 863379179 PTALOVWXDSPXSS-ZJUUUORDSA-N 285.344 -0.136 50 20 CBGD C[C@H]1CC=C(C(=O)NNC(=O)CS(C)(=O)=O)CC1 863465475 FJOBRULPMHBFDJ-QMMMGPOBSA-N 274.342 -0.075 50 20 CBGD CCOCCONC(=O)c1cc(B(O)O)ccc1F 863878428 FUJAUURRPCAFDE-UHFFFAOYSA-N 271.053 -0.797 50 20 CBGD Cc1ccn(C[C@H](C)C(=O)N2CC[C@@H](B(O)O)C2)n1 864231429 MUAPEQHWXZXZKC-GXSJLCMTSA-N 265.122 -0.097 50 20 CBGD OCC[C@H](NCc1ccc(B(O)O)cc1)C(F)(F)F 895884577 KPIMGCAHMLANBP-JTQLQIEISA-N 277.051 -0.231 50 20 CBGD CN1C[C@H](NC(=O)[C@]2(C)C[C@@H]2Br)C(=O)N1 907221752 XZLNKTAGCZMNAS-ATVXKPNKSA-N 276.134 -0.379 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1COc2ccc(O)cc2O1 910148191 YCFKJNMGZRVBSH-UFBFGSQYSA-N 282.296 -0.124 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCc2cnn(C)c2C1 910149363 DARIUUKIIRSGTJ-VHSXEESVSA-N 266.345 -0.131 50 20 CBGD Cc1cnn(CC(=O)NNC(=O)c2cccn2C)c1 918690734 QZPJCYJNMGWMND-UHFFFAOYSA-N 261.285 -0.009 50 20 CBGD CC(C[C@@H]1CCC(=O)N1)=NNC(=O)[C@H]1CCC(=O)N1 1118889567 MPKKLTYNXMASQB-DTWKUNHWSA-N 266.301 -0.574 50 20 CBGD Cc1nn[nH]c1C(=O)NNC(=O)CC(F)(F)F 1256614050 DVDRGEUYRVKRFV-UHFFFAOYSA-N 251.168 -0.173 50 20 CBGD O=C(CS(=O)(=O)C1CCCC1)N1CC[C@H](B(O)O)C1 1261844176 FGJOXEFBPGIDNV-VIFPVBQESA-N 289.162 -0.581 50 20 CBGD COCC(=O)NCCC(=O)NNC(=O)NC1CCCC1 1318767097 MEVBFPHVWNUJMV-UHFFFAOYSA-N 286.332 -0.588 50 20 CBGD CCCN1CC[C@H](CNC(=O)NNC(=O)C(=O)OC)C1 1319002955 DHEBLAVQHDEJKP-SECBINFHSA-N 286.332 -0.778 50 20 CBGD CNC(=O)Cc1ccccc1NC(=O)NNC(=O)CO 1320404659 CFYBQMZHIHSWFF-UHFFFAOYSA-N 280.284 -0.880 50 20 CBGD Cn1ccnc(NNC(=O)[C@H]2C[C@]23CCOC3)c1=O 1320532077 QOQQMUMKRJOWMY-PELKAZGASA-N 264.285 -0.350 50 20 CBGD C[C@@H](CC(N)=O)C(=O)NNc1ccc(-n2ccnc2)nn1 1323249846 GKCWICKOXMENFW-QMMMGPOBSA-N 289.299 -0.383 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCn2ccnc2C1 1328150336 ULPVCSPDFMWNME-MRVPVSSYSA-N 266.301 -0.636 50 20 CBGD CO[C@@]1(C=NNC(=O)[C@@H]2CCC(=O)N2)CCOC1 1329556156 FFPBIXDEXXTKGE-GZMMTYOYSA-N 255.274 -0.828 50 20 CBGD CC(C)(C(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CCOCC1 1330965398 UEDKJSUNDAUGFS-SNVBAGLBSA-N 297.355 -0.135 50 20 CBGD C[C@H](N)CNC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br 1331385278 BGHTVOGCLBMQKX-NYNCVSEMSA-N 292.177 -0.261 50 20 CBGD CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)NN)C1 1575205736 HJWBNDVKZONTKK-PRHODGIISA-N 271.317 -0.140 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](N)C1CCCCCC1 1575697950 IHBVUKVZWBMHGU-NSHDSACASA-N 298.387 -0.044 50 20 CBGD Cc1cccnc1C(F)(F)C(=O)NNC(=O)[C@@H]1CCN1 1579807448 AGEGVEXWEDCPRX-QMMMGPOBSA-N 284.266 -0.009 50 20 CBGD C[C@@H]1CC[C@H](C(=O)O)N1C(=O)c1ccc(B(O)O)cc1 1594218083 PAFNNPVOJXQPDF-LDYMZIIASA-N 277.085 -0.556 50 20 CBGD O=C(O)C[C@H](CNC(=O)NNC(=O)[C@H]1CCCO1)C1CC1 1601892314 OMRYVJCSVKBPAU-NXEZZACHSA-N 299.327 -0.003 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cncc(C(=O)O)c2)n[nH]1 1607579994 MQLPTCPEFDPLRG-UHFFFAOYSA-N 289.251 -0.114 50 20 CBGD C#C[C@@H](C)NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1609019530 WKMUUNABTAAXKO-MRVPVSSYSA-N 299.294 -0.168 50 20 CBGD C[C@H]1CN(C)C[C@H](C(=O)NN=Cc2c[nH]c(C(=O)O)c2)O1 1776092419 LTNRLXHGSVLEON-GZMMTYOYSA-N 294.311 -0.118 50 20 CBGD C[C@H]1CN(C)C[C@@H](C(=O)NN=C2CC(C(=O)O)C2)O1 1776092530 QNYLYOLONOSVDF-OFQRNFBNSA-N 269.301 -0.328 50 20 CBGD CC(=O)NNC(=O)Cn1cnc2c(C)cccc2c1=O 28780029 IEJBDGNPLCDARO-UHFFFAOYSA-N 274.280 -0.128 50 20 CBGD O=C1NC[C@H]2CN(S(=O)(=O)CBr)CCN12 127530197 MUSAHJFDMUZHSB-LURJTMIESA-N 298.162 -0.622 50 20 CBGD Cc1cc2c(cc1C)O[C@@H](C(=O)NNC(=O)CO)C2 180966268 ZXUWMKCNDPLWIJ-LLVKDONJSA-N 264.281 -0.253 50 20 CBGD COc1cc(C)nc(NNC(=O)CN2CSCC2=O)n1 266903802 HVLZFWPTPOVQFF-UHFFFAOYSA-N 297.340 -0.230 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C(F)(F)C(F)F 267205939 PXTWFPNXRNFWGH-UHFFFAOYSA-N 273.186 -0.441 50 20 CBGD CCOC(=O)/C(C#N)=C/NC[C@H]1CC[C@H](C(N)=O)O1 268337242 BTXYEYSNYJSZRZ-IZRRHEBBSA-N 267.285 -0.421 50 20 CBGD O=C(Cn1ccccc1=O)NNC(=O)[C@@H]1CCCCO1 269348474 MBLRCYXDLAVWDB-JTQLQIEISA-N 279.296 -0.435 50 20 CBGD CN(NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(N)=O 271363702 PVESHUCYNVRQIH-VIFPVBQESA-N 263.253 -0.190 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCS1(=O)=O)c1cccnc1 273238754 TWJUKWHFXIKJPP-JTQLQIEISA-N 297.336 -0.190 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccnn1CC(F)F 279644291 CWYGATRWFKWMLP-UHFFFAOYSA-N 276.243 -0.320 50 20 CBGD C[C@H](C(=O)NN(C)C(N)=O)N(C)CC(F)(F)F 281303348 TZKSCDGSFIDLLQ-RXMQYKEDSA-N 256.228 -0.089 50 20 CBGD O=S(=O)(CBr)N1CC[C@H](O)[C@H](CO)C1 306777318 NBBKNEVWQHDQND-BQBZGAKWSA-N 288.163 -0.656 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCN(O)C2=O)cn1 491130515 IYBLWIKSGGRFPD-IGLBNKAOSA-N 289.295 -0.177 50 20 CBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)c1ccccc1 496928126 HAKWNVBELPLHDQ-CBAPKCEASA-N 263.253 -0.056 50 20 CBGD CCC(CC)(NC(=O)c1ccc(B(O)O)c(F)c1)C(N)=O 584936293 BJTWVAZBLWUGRX-UHFFFAOYSA-N 296.107 -0.721 50 20 CBGD CC1(CNC(=O)c2ccc(B(O)O)c(F)c2)COC1 584946381 ZMHNUXRIZURZGW-UHFFFAOYSA-N 267.065 -0.728 50 20 CBGD C[C@]1(CO)CCC[C@H]1NC(=O)c1cccc(B(O)O)c1 584962663 OTERTOKEIPCXTH-TZMCWYRMSA-N 277.129 -0.353 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCSC[C@H]1CCO 584964145 HYEWWRDTDGMFLO-GFCCVEGCSA-N 295.169 -0.694 50 20 CBGD C[C@@]1(NC(=O)c2ccc(B(O)O)c(F)c2)CCCOC1 584969978 JIJKEWGURGXAOC-CYBMUJFWSA-N 281.092 -0.196 50 20 CBGD O=C(NC1CC(F)(F)C1)c1cccc(B(O)O)c1 584982406 KDDHDINMUJVYEO-UHFFFAOYSA-N 255.029 -0.106 50 20 CBGD C[C@H](CO)[C@@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 585006989 RZFMAMBWLKVAJT-RISCZKNCSA-N 291.156 -0.011 50 20 CBGD COC[C@@H](CCNC(=O)c1ccc(B(O)O)c(F)c1)OC 585008737 QUDIYMISKQMXLV-SNVBAGLBSA-N 299.107 -0.713 50 20 CBGD C[C@H](CO[C@H]1CCOC1)NCc1ccccc1B(O)O 585030872 KKGFVPBGNUIVGW-YPMHNXCESA-N 279.145 -0.350 50 20 CBGD O=S(=O)(Cc1ccc(Cl)c(F)c1)NCB(O)O 585059253 GRNNKPXPOAKLTJ-UHFFFAOYSA-N 281.501 -0.090 50 20 CBGD CCn1c(O)nc2cc(C(=O)NCB(O)O)ccc21 585062848 OHAQTBRGXKHTIP-UHFFFAOYSA-N 263.062 -0.496 50 20 CBGD Cc1c(Br)cncc1C(=O)NCB(O)O 585063283 WEPSCZICGFSAGF-UHFFFAOYSA-N 272.895 -0.106 50 20 CBGD O=C(CCC1CC1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 734428381 QBMIICQRAHZNCQ-VIFPVBQESA-N 289.357 -0.306 50 20 CBGD CCCCN(C)S(=O)(=O)NNC(=O)c1cnccn1 739670345 ISESVSVFJCEQCC-UHFFFAOYSA-N 287.345 -0.312 50 20 CBGD COC[C@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 739921092 MKPTZBBYMKHYFL-VIFPVBQESA-N 255.318 -0.488 50 20 CBGD COC(C)(C)CNC(=O)NNC(=O)C(=O)NC1CC1 745889171 ARTFKUDANMZPRI-UHFFFAOYSA-N 272.305 -0.980 50 20 CBGD COCCCNC(=O)NNC(=O)C1CCN(C)CC1 746167700 WYTDMVTUYMPDBZ-UHFFFAOYSA-N 272.349 -0.305 50 20 CBGD CO[C@H](C)CCC(=O)NNC(=O)Cc1cc[nH]n1 755275364 GTEJIKIWPCBSEV-MRVPVSSYSA-N 254.290 -0.085 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)[C@H](C)CN1C 768765067 REGVJURTLKEVQT-VHSXEESVSA-N 268.361 -0.432 50 20 CBGD C[C@@H](NC(=O)NNC(=O)c1ccc[nH]1)[C@@H]1CN(C)CCO1 770437303 HCJJSLDOMADANK-KOLCDFICSA-N 295.343 -0.322 50 20 CBGD COCC(=O)NNC(=O)Nc1ccn([C@@H](C)COC)n1 779936155 PAIXMIZHLVJSJC-QMMMGPOBSA-N 285.304 -0.110 50 20 CBGD CC(=NNC(=O)C(=O)NC1CC1)c1nccnc1C 783513948 HLFAIWPGOZSATD-UHFFFAOYSA-N 261.285 -0.096 50 20 CBGD Cn1nncc1C(=O)NNC(=O)COc1ccc(F)cc1 798831767 PLXRHHICOAKTLP-UHFFFAOYSA-N 293.258 -0.206 50 20 CBGD COCC(=O)NNC(=O)Nc1cc(N(C)C)ncn1 810220975 IKHSOBZHXTWFPR-UHFFFAOYSA-N 268.277 -0.658 50 20 CBGD O=C(NNC(=O)[C@H](F)C(F)(F)F)C(=O)N1CCCC1 810275637 SKUMZNPYSXMKHJ-YFKPBYRVSA-N 285.197 -0.343 50 20 CBGD COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 812489965 LXYFQZIQOIHGSX-NXEZZACHSA-N 285.344 -0.325 50 20 CBGD O=C(NNC(=O)C1(n2cnnn2)CC1)NC1CCCC1 824343430 YZAFEIODDBQRBN-UHFFFAOYSA-N 279.304 -0.565 50 20 CBGD COC(=O)NCCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 826927264 CUEBTPULXNEKMK-YUMQZZPRSA-N 288.304 -0.902 50 20 CBGD CCC(=O)NNS(=O)(=O)c1cc(C(=O)O)n(C)c1 828570738 UJRLWSMVVVCYRU-UHFFFAOYSA-N 275.286 -0.557 50 20 CBGD O=C(COCC1CCCC1)NNC(=O)C(=O)N1CCCC1 836548153 SHVRZZQUXZPQAK-UHFFFAOYSA-N 297.355 -0.037 50 20 CBGD COC(=O)CCCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843653856 DPMKPOPVTKUERN-RKDXNWHRSA-N 272.301 -0.098 50 20 CBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1nc2ccccn2n1 847891911 KPUHPNMIXWLINH-SFYZADRCSA-N 274.284 -0.316 50 20 CBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNc2ccccn2)O1 860627427 LTAGITLOXCNSJY-JGVFFNPUSA-N 250.258 -0.442 50 20 CBGD C[C@H](NNC(=O)[C@@H]1CC(=O)NC(=O)N1)C(F)(F)F 862320097 OSWSMYAFYPZGOA-IMJSIDKUSA-N 268.195 -0.844 50 20 CBGD COCCOCC(=O)NNC(=O)c1cc(C=O)cn1C 869905243 LNGQBCQXRZASFY-UHFFFAOYSA-N 283.284 -0.738 50 20 CBGD CCC1(C(=O)NNC(=O)COCCOC)COC1 869908751 WHOQNFQSESVASH-UHFFFAOYSA-N 260.290 -0.777 50 20 CBGD COCCOCC(=O)NNC(=O)Cc1ccc(C)nc1 869909318 QQQAYUGBIJYNBR-UHFFFAOYSA-N 281.312 -0.257 50 20 CBGD CC[C@@H](C(=O)NNC(=O)C1CCOCC1)N1CCCC1=O 883064262 VFOYUFDSQWDOJL-NSHDSACASA-N 297.355 -0.039 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@@H]1CCC(=O)NC1 899991874 CWRZOBLGXHCDAT-SSDOTTSWSA-N 272.374 -0.194 50 20 CBGD CC[C@H](O)[C@H](C)C(=O)NNC(=O)N1CCN(C)CC1 908054687 ZRYZFXYKHNUPBB-UWVGGRQHSA-N 272.349 -0.618 50 20 CBGD COC(=O)Cc1occc1C(=O)NN(C)C[C@@H](C)O 910150808 WBBPMULIMDNYIA-MRVPVSSYSA-N 270.285 -0.048 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NN(C)C[C@@H](C)O 910156311 SGUIBHYFJVCGIV-WDEREUQCSA-N 259.350 -0.702 50 20 CBGD Cn1cc(C(=O)NNC(=O)C2CCCC2)c(O)nc1=O 915857341 VKOCXCDDXMXNSW-UHFFFAOYSA-N 280.284 -0.563 50 20 CBGD CCC/C=C/C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 920745708 OJGPAPXEJNHFKI-MOVJSRMASA-N 289.357 -0.140 50 20 CBGD CN1CC(=O)N(CCCC(=O)NNc2ncccn2)C1=O 1115885216 WKFIVHJHDUPIEM-UHFFFAOYSA-N 292.299 -0.406 50 20 CBGD CCc1nnc(O)c(C(=O)NNC(=O)CO)c1CC 1116499653 SFSHWPAEPLMITI-UHFFFAOYSA-N 268.273 -0.940 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cncn1C 1261218260 OKWOXEBYGNEVMW-UHFFFAOYSA-N 281.316 -0.514 50 20 CBGD Cn1c(C(=O)NNc2ncnc3[nH]cnc23)cccc1=O 1320360672 WPPZZUAQVJRYPV-UHFFFAOYSA-N 285.267 -0.192 50 20 CBGD O=C(CNC(=O)c1ccncc1)NNc1cccnn1 1324031836 HMSBTFZHSNMRJP-UHFFFAOYSA-N 272.268 -0.255 50 20 CBGD NC(=O)c1ccccc1CCC(=O)NNc1nc[nH]n1 1325023285 NGVAGSQSSVKXLR-UHFFFAOYSA-N 274.284 -0.021 50 20 CBGD CN1CCC(=NNC(=O)C(=O)Nc2ccccn2)C1=O 1326376440 WSRGUUIKPALMJZ-UHFFFAOYSA-N 275.268 -0.646 50 20 CBGD Cn1nncc1NNC(=O)[C@H](NC(N)=O)C(C)(C)C 1328570164 MCUSTSIXLVMVRS-ZETCQYMHSA-N 269.309 -0.659 50 20 CBGD COC(=O)c1cc(C=NNC(=O)[C@H]2CCC(=O)N2)on1 1330141664 BDAHVDIVWFOTQV-SSDOTTSWSA-N 280.240 -0.810 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC/C=C\C2CC2)N1 1331314763 JTTAYMQTKXUWIN-JKERVTFKSA-N 266.301 -0.438 50 20 CBGD CN(C)CCn1nccc1C(=O)NNC(=O)N(C)C 1331911942 UCIIKNZPDONZBJ-UHFFFAOYSA-N 268.321 -0.639 50 20 CBGD CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)C(=O)N1CCCC1 1335771456 GNZBWUVWBPAWHL-VHSXEESVSA-N 283.328 -0.429 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1 1339046402 YVISNHHXIUFHSC-KWQFWETISA-N 281.316 -0.743 50 20 CBGD CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1cnn(C)c1 1339605705 UAIAKQBSNACBHI-UHFFFAOYSA-N 290.283 -0.296 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=O)Cc1ccncc1 1347615856 DKLSKJHCZPWAMW-SNVBAGLBSA-N 267.285 -0.567 50 20 CBGD Cc1cc(C)n(CCCC(=O)NNC(=O)NCCN)n1 1579584486 HUOJWDYOVSFYOZ-UHFFFAOYSA-N 282.348 -0.431 50 20 CBGD Cn1cc(C(=O)NNC(=O)N[C@H]2CCNCC2(C)C)nn1 1579953072 GZPFPELYLGRENB-VIFPVBQESA-N 295.347 -0.853 50 20 CBGD C=C[C@H](O)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1588526216 SDZXFGQPDILMEJ-VIFPVBQESA-N 288.267 -0.825 50 20 CBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=O)Cc1cccnc1 1593926327 GPMZQVGTGJKURR-GFCCVEGCSA-N 281.268 -0.739 50 20 CBGD CC[C@H](C)[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)O 1597320221 XPJDBNBYORBDSL-KWQFWETISA-N 279.101 -0.405 50 20 CBGD O=C(CO)NNC(=O)Nc1cc(C(=O)O)cs1 1608343295 RGJWRBFJWRABGE-UHFFFAOYSA-N 259.243 -0.409 50 20 CBGD CCc1nn(C)c(CC)c1CNC(=O)NNC(=O)C(=O)O 1610073207 SUSHDROQIVTPPS-UHFFFAOYSA-N 297.315 -0.540 50 20 CBGD CS(=O)(=O)NCCNS(=O)(=O)CCCCCl 162551401 HTJJCELIPGSBKV-UHFFFAOYSA-N 292.810 -0.526 50 20 CBGD COc1ccc2[nH]cc(CC(=O)NNC(=O)CO)c2c1 180948416 CJPWVFGFTIBWHH-UHFFFAOYSA-N 277.280 -0.141 50 20 CBGD CCNC(=O)N(C)NC(=O)CCCNC(=O)C1CC1 271464981 XQYCTCCERLTUJJ-UHFFFAOYSA-N 270.333 -0.015 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H]1CC(=O)N(C)C1 271503537 ZCRJGBODNJXMKJ-SSDOTTSWSA-N 290.414 -0.677 50 20 CBGD COc1ccc(NNC(=O)[C@H](C)S(C)(=O)=O)nc1 275714658 ZXKCRCDINXVAKJ-ZETCQYMHSA-N 273.314 -0.034 50 20 CBGD CCN(CC)C(=O)CCC(=O)NNC(=O)C(C)(C)O 277960661 MMMLHRNVFOEUAE-UHFFFAOYSA-N 273.333 -0.447 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)Cn2cccn2)O1 294004062 VJQPQLWKHOYROH-IUCAKERBSA-N 252.274 -0.402 50 20 CBGD C[C@H]1C[C@@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1 299542116 VUQWDDIDZYUTCR-DTWKUNHWSA-N 268.317 -0.405 50 20 CBGD Cc1noc(CCC(=O)Nc2cccc(B(O)O)c2)n1 404966965 JVSAZVFFERNAQG-UHFFFAOYSA-N 275.073 -0.371 50 20 CBGD CN(C)[C@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584939195 HEQSRVGMLPUHLX-NSHDSACASA-N 294.135 -0.328 50 20 CBGD Cc1nnc([C@H](C)NC(=O)c2ccc(B(O)O)cc2)o1 584958226 NBMRBIPJOHGFSM-ZETCQYMHSA-N 275.073 -0.451 50 20 CBGD CC1(O)C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 584960118 IKYOVUIPTPIRIE-NNQSOWQGSA-N 289.140 -0.116 50 20 CBGD CCO[C@@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)[C@H]1OC 584973491 AFLWWAOKPHADHZ-YNEHKIRRSA-N 293.128 -0.711 50 20 CBGD CC1(C)CN(C(=O)c2cccc(B(O)O)c2)C[C@@H]1O 584983388 NTDFRMQIIUBSJH-NSHDSACASA-N 263.102 -0.791 50 20 CBGD COCCN1CCC(NCc2ccccc2B(O)O)CC1 585020109 XFUCMRHKHYLLLM-UHFFFAOYSA-N 292.188 -0.433 50 20 CBGD COC[C@@H](NCc1cccc(B(O)O)c1)[C@H]1CCCO1 585039105 OMQMCLOCOYGYJL-ZIAGYGMSSA-N 279.145 -0.350 50 20 CBGD OC[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NCc1ccc(B(O)O)cc1 585040291 ICXQVFDDHVEAMW-VIRABCJISA-N 275.157 -0.137 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc(Br)cn1 585056192 QHOQGEKNEFRADG-UHFFFAOYSA-N 294.923 -0.866 50 20 CBGD O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCB(O)O 585056268 MGGGATVFXXBDEJ-UHFFFAOYSA-N 293.084 -0.451 50 20 CBGD CCc1c(C(=O)NNC(=O)CN(C)C)cnn1C 733359377 GABQGEQEQJEWCS-UHFFFAOYSA-N 253.306 -0.695 50 20 CBGD COC[C@@H](C)CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 737065596 UHARAYSOHQPIQD-ONGXEEELSA-N 293.389 -0.350 50 20 CBGD CC(C)(C#N)C(=O)NNC(=O)C(=O)N1CCCC1 748239928 MXGWJLOSFNQBOW-UHFFFAOYSA-N 252.274 -0.694 50 20 CBGD C[C@@H](C(=O)NNc1ncccc1[N+](=O)[O-])S(C)(=O)=O 759302629 WVXYHNLQICSJFN-LURJTMIESA-N 288.285 -0.134 50 20 CBGD COC(=O)c1ccc(NNC(=O)CNC(=O)C2CC2)nc1 759724644 AEBPXDQVTYXLBG-UHFFFAOYSA-N 292.295 -0.163 50 20 CBGD O=C(NN=c1cc[nH]cc1)[C@@H]1CC(=O)N(C2CC2)C1 780761109 JDGNUTGVJARWRY-SECBINFHSA-N 260.297 -0.043 50 20 CBGD Cn1ncc(C(=O)NNc2nc3ccccc3c(=O)n2C)n1 786169294 WOXGPXGBOSPLNM-UHFFFAOYSA-N 299.294 -0.181 50 20 CBGD Cn1nnc(CNC(=O)NNc2nc3ccccn3n2)n1 787442930 TZHLWHFSINFGGK-UHFFFAOYSA-N 288.275 -0.921 50 20 CBGD COCCONC(=O)NNc1nc(C)cc(OC)n1 789339015 VEURFWZNHITDKQ-UHFFFAOYSA-N 271.277 -0.002 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H](O)Cc1ccccc1 793201000 FKBBWOQQPSRBHK-LBPRGKRZSA-N 295.339 -0.043 50 20 CBGD Cc1cccc(C(=O)NNC(=O)Cn2cccnc2=O)n1 794076267 WQKUTMDHMPHTFP-UHFFFAOYSA-N 287.279 -0.592 50 20 CBGD CC[C@@H](CNC(=O)NNC(=O)[C@H](C)OCCOC)OC 812589843 IRTPEMHBZPQLHM-UWVGGRQHSA-N 291.348 -0.207 50 20 CBGD CC(Cn1cccn1)=NNC(=O)[C@H](C)NS(C)(=O)=O 814835253 LRRLKIOBYYMTTJ-VIFPVBQESA-N 287.345 -0.687 50 20 CBGD CCCN(CC(=O)NNC(=O)C(C)C)CC(=O)N(C)C 827472440 GLRNPKPMHZDYCX-UHFFFAOYSA-N 286.376 -0.410 50 20 CBGD CSCCNC(=S)NNC(=O)[C@H]1CCCN1C=O 831575392 IJWRGKLBYFJJSW-MRVPVSSYSA-N 290.414 -0.535 50 20 CBGD CCO[C@@H]1CC(=NNC(=O)CN2CCCC2=O)[C@H]1OC 841611299 RJHPVWOFWNUZQB-ZWNOBZJWSA-N 283.328 -0.095 50 20 CBGD Cc1[nH]c(C=O)cc1C(=O)NNC(=O)N1CCN(C)CC1 854382620 GSGCGKZUKWGKGA-UHFFFAOYSA-N 293.327 -0.263 50 20 CBGD COC1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCC1 858353103 DLYUMBFWDCPGQI-MRVPVSSYSA-N 284.316 -0.836 50 20 CBGD CC(C)=CCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858388071 SBANKJZTPXWXKC-SECBINFHSA-N 268.317 -0.048 50 20 CBGD CC(C)C[C@@H](CO)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858694936 CUEFNZKIECMGPQ-DTWKUNHWSA-N 286.332 -0.998 50 20 CBGD C[C@@H]1[C@H](CO)CCCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 858702309 HBQQLLIMLBKEQJ-KXUCPTDWSA-N 298.343 -0.901 50 20 CBGD O=S(=O)(CCNCc1cccc(B(O)O)c1)C1CC1 863889813 JDVKCSUXYZKPSC-UHFFFAOYSA-N 283.158 -0.967 50 20 CBGD C#CC[C@H](CCOC)NC(=O)c1ccc(B(O)O)cc1 863890134 LJZKMQWZEDZIKG-CYBMUJFWSA-N 275.113 -0.475 50 20 CBGD O=Cc1cccc(OCC(=O)N2CC[C@@H](B(O)O)C2)c1 874970482 WOKZBUBKZNXIKF-LLVKDONJSA-N 277.085 -0.047 50 20 CBGD CN1CCC[C@@H]1C(=O)NNc1nccn(C)c1=O 896827383 GXGGGMXSFGMOBG-MRVPVSSYSA-N 251.290 -0.682 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H](C)OC[C@@H]1CCCO1 910168827 RFURULZXKMYUFL-DCAQKATOSA-N 260.334 -0.086 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F 910183559 MKSTTZIVDLNPRC-XLPZGREQSA-N 297.277 -0.355 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 913733742 ULGBJRPVWNOVRW-AEJSXWLSSA-N 293.323 -0.629 50 20 CBGD CCc1nn(C)c(CC)c1C=NNC(=O)C(N)=O 1116378573 RFBXAMDZLDRJKU-UHFFFAOYSA-N 251.290 -0.520 50 20 CBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cnn(CCF)c1 1118871849 NYWAZOSWGXHNGX-MRVPVSSYSA-N 299.306 -0.015 50 20 CBGD COC(=O)CNC(=O)NNC(=S)NCC1CCC1 1254352395 VIQKBJUIAUPESH-UHFFFAOYSA-N 274.346 -0.362 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1262629471 AWVOGQNBWPPTEZ-UHFZAUJKSA-N 298.339 -0.390 50 20 CBGD COCCCC(=O)NNc1nc(O)c2cnn(C)c2n1 1319878856 LSDJJCWSCUCKNH-UHFFFAOYSA-N 280.288 -0.061 50 20 CBGD COCCn1ccc(C(=O)NNC(=O)NC2CC2)n1 1320572524 PXJMSFLEUJGKEQ-UHFFFAOYSA-N 267.289 -0.364 50 20 CBGD Cc1ccc(S(N)(=O)=O)c(C(=O)NN(C)C(N)=O)c1 1320709414 YXRJQUJLJOUNDK-UHFFFAOYSA-N 286.313 -0.702 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1ncccc1F 1321055341 LHHDJPBLMRAWLO-UHFFFAOYSA-N 282.275 -0.565 50 20 CBGD Cc1nnc(NNC(=O)c2c[nH]cc(Cl)c2=O)nc1O 1321426961 OPYMEVMZHQEJQT-UHFFFAOYSA-N 296.674 -0.016 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cnco1 1323050480 AMOHFDPKJDLODQ-UHFFFAOYSA-N 278.224 -0.541 50 20 CBGD COC(=O)[C@@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)C[C@H]1C 1328731113 GWYCWUHGUKFGEU-VXNVDRBHSA-N 295.299 -0.495 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@@H]1CC(=O)N(CC)C1 1329636968 QMESPTAXIMXCAC-VIFPVBQESA-N 286.332 -0.778 50 20 CBGD CSCCNC(=S)NNC(=O)c1ncn(C)n1 1347485921 XLFQXJWPNYUZQM-UHFFFAOYSA-N 274.375 -0.713 50 20 CBGD COC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cn1 1457488602 MTNOWJQQGWJSTI-UHFFFAOYSA-N 263.217 -0.738 50 20 CBGD Nc1ncc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)cn1 1549320749 NULKDFOYJUSRTN-GHMZBOCLSA-N 290.327 -0.628 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1C[C@]12CCNC2 1574334654 SQRKVVDPHYSCII-MFKMUULPSA-N 275.312 -0.344 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)NC[C@H]2CCN2)c1 1580074918 PPTAWGZKAXTXPK-LLVKDONJSA-N 273.296 -0.136 50 20 CBGD Cc1cc(CC(=O)NNC(=O)c2cc(C(=O)O)no2)n[nH]1 1607636550 RUPDJADOHGVJHB-UHFFFAOYSA-N 293.239 -0.592 50 20 CBGD O=C(O)CNC(=O)NN=C1CCCc2n[nH]cc21 1608754325 XVPNWADCMDSMTF-UHFFFAOYSA-N 251.246 -0.166 50 20 CBGD O=C(NNC(=O)c1cccc(F)n1)c1c[nH]nn1 152838857 KHHZAVNUICTNOJ-UHFFFAOYSA-N 250.193 -0.586 50 20 CBGD CN(C)CCOCCNS(=O)(=O)CBr 231676397 JMEIRIMFSZZKTO-UHFFFAOYSA-N 289.195 -0.164 50 20 CBGD Cc1cc(C)nc(NNC(=O)N[C@H]2CC(=O)N(C)C2)n1 267465112 AQSMVWIRFQKXIT-VIFPVBQESA-N 278.316 -0.050 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H](C)NC(=O)OC 270456065 HGJHKADXZIQGSQ-ZETCQYMHSA-N 276.293 -0.902 50 20 CBGD CNC(=O)NNC(=O)[C@H](O)CCc1ccccc1 271103379 YMLRVCSPPVQRFU-SNVBAGLBSA-N 251.286 -0.060 50 20 CBGD CCN(C)C(=O)[C@@H](C)NC(=O)NNc1nccc(OC)n1 276937094 QITLDJNIFKIKDC-MRVPVSSYSA-N 296.331 -0.022 50 20 CBGD C[C@@H]1CC(=O)N[C@H](C(=O)NNC(=O)c2cccn2C)C1 292669621 DNTUFLOGGSRJID-IUCAKERBSA-N 278.312 -0.299 50 20 CBGD OC[C@@H]1C[C@@H](O)CN1CCI 306378805 YTCPSHGBTUTEKP-NKWVEPMBSA-N 271.098 -0.151 50 20 CBGD COC(=O)NNC(=O)N=c1cc[nH]cc1[N+](=O)[O-] 495281388 MMLOAYJTGLKIER-UHFFFAOYSA-N 255.190 -0.196 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1CCc2nc[nH]c2C1 584911808 NGHOPDWKUQESQK-VIFPVBQESA-N 285.112 -0.167 50 20 CBGD O=C(NC[C@H]1CCN(C2CC2)C1)c1ccc(B(O)O)cc1 584932961 CJUFICKTXHSJLO-LLVKDONJSA-N 288.156 -0.420 50 20 CBGD CC(C)(C)C(=O)NCCNC(=O)c1cccc(B(O)O)c1 584954251 CVCMUGLGOVCRCU-UHFFFAOYSA-N 292.144 -0.742 50 20 CBGD C=C(C)COCCNC(=O)c1cccc(B(O)O)c1 584959992 NIRFMYHWGSSQQH-UHFFFAOYSA-N 263.102 -0.311 50 20 CBGD CCN(C)C(=O)[C@H](C)NC(=O)c1cc(B(O)O)ccc1F 584980095 QCWNBJRYMZTDHB-QMMMGPOBSA-N 296.107 -0.898 50 20 CBGD CC(C)(C)NC(=O)CCNCc1ccc(B(O)O)o1 585024641 ZDYNFUWKWNJAIM-UHFFFAOYSA-N 268.122 -0.646 50 20 CBGD C[C@H](CC[S@@](C)=O)NCc1ccc(B(O)O)o1 585030473 GFBJYANGCFKLES-CQLKUDPESA-N 259.136 -0.794 50 20 CBGD C[C@@H](NCc1cccc(B(O)O)c1)c1ncn(C)n1 585037259 VCEVRFLJVXEVDD-SECBINFHSA-N 260.106 -0.654 50 20 CBGD COc1cc(F)c(S(=O)(=O)NCB(O)O)cc1OC 585054994 WIJJLMAFPMHMEL-UHFFFAOYSA-N 293.081 -0.867 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc(Cl)nc1Cl 585055850 KHKGOYQCCSGCTE-UHFFFAOYSA-N 284.917 -0.321 50 20 CBGD O=S(=O)(CCc1ccccc1F)NCB(O)O 585057496 VNTIWQQZGWTYJA-UHFFFAOYSA-N 261.083 -0.700 50 20 CBGD C[C@@]1(C(=O)NCB(O)O)CCCN1C(=O)c1ccccc1 585059240 GBCNNBFQQIKVAL-AWEZNQCLSA-N 290.128 -0.191 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@@]1(C)CCOC1 733651849 XCZTUEDVYYMFGW-LLVKDONJSA-N 259.306 -0.220 50 20 CBGD O=C(Cc1cn2ccccc2n1)NNC(=O)c1nc[nH]n1 746206221 RBBDZGOMPCTCFE-UHFFFAOYSA-N 285.267 -0.544 50 20 CBGD Cc1cnn(CC(=O)NNC(=O)Cc2ccncc2)c1 747323048 XZPQFBUVAJMDJJ-UHFFFAOYSA-N 273.296 -0.023 50 20 CBGD CC(=O)NNC(=O)c1cncc(N2CCOCC2)c1 757696739 GZCZRGHLEBUGHX-UHFFFAOYSA-N 264.285 -0.301 50 20 CBGD CCc1nn(C)cc1NC(=O)NNC(=O)COC 757897551 YHAINNWBLVNMHB-UHFFFAOYSA-N 255.278 -0.218 50 20 CBGD COC(=O)c1ccc(NNC(=O)Cn2cncn2)nc1 759729211 PQZKXKIADMTZJU-UHFFFAOYSA-N 276.256 -0.397 50 20 CBGD CO[C@@H](C)C(C)=NNC(=O)Cc1cc(O)nc(O)n1 763171650 LQWKYBLMNRZTOH-ZETCQYMHSA-N 268.273 -0.043 50 20 CBGD CN1CCN(c2ccc(C=NNC(=O)C(N)=O)cc2)CC1 771554589 YDFFUZZRSMXZMO-UHFFFAOYSA-N 289.339 -0.626 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)COC(C)C 772052312 KZCQIMYVOBTWOF-MRVPVSSYSA-N 260.290 -0.100 50 20 CBGD COc1ccnc(NNC(=O)Cc2cncn2C)n1 776331442 WOIJWVWKRLIMLI-UHFFFAOYSA-N 262.273 -0.096 50 20 CBGD O=C1CCC[C@H](C(=O)NNc2nc3ccccn3n2)N1 799729485 NJQQPGFKQHXEGC-MRVPVSSYSA-N 274.284 -0.159 50 20 CBGD C#CCOCCC(=O)NNC(=O)N=c1cc[nH]cc1 802033823 PORVXHZCNVGCBQ-UHFFFAOYSA-N 262.269 -0.304 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C[S@@](=O)CC 803476809 LPGCGXSHNRNAGV-VIIUKITBSA-N 278.330 -0.756 50 20 CBGD CNC(=O)NNS(=O)(=O)CCOCC1CC1 818047594 BRUGNZYLDDRGDC-UHFFFAOYSA-N 251.308 -0.824 50 20 CBGD CCC(=O)NNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 818783497 GVVHLIHOTWJABY-UHFFFAOYSA-N 299.308 -0.263 50 20 CBGD C[C@@H](N)C1CCN(CC(=O)NNC(=O)C2CC2)CC1 843348708 NHJSVVWBFDZVTG-SECBINFHSA-N 268.361 -0.397 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](CNC)C1 843349005 CJRDPPGUFVEAON-UWVGGRQHSA-N 256.350 -0.526 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@](C)(O)C1CC1 843970822 LTWCUCZUKQRNKM-QOSJWCAFSA-N 256.302 -0.280 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)c1cc[nH]n1 855357660 OFPBGYRCOHDEND-ZCFIWIBFSA-N 268.277 -0.992 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC(C2CC2)C2CC2)N1 858127676 MHFHQPDDWBKJHG-SECBINFHSA-N 280.328 -0.216 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cn[nH]c1)[C@@H](C)S(C)(=O)=O 862470765 VWKZHBKUEHJWFO-RNFRBKRXSA-N 288.329 -0.760 50 20 CBGD CCC(C)(C)C(=O)NNC(=O)CS(C)(=O)=O 863460871 NRQVTDIPEZUHSL-UHFFFAOYSA-N 250.320 -0.385 50 20 CBGD O=C(/C=C/CN1CCOCC1)NNC(=O)C1CCC1 865701896 RNVJYIYWVZWZOQ-GORDUTHDSA-N 267.329 -0.178 50 20 CBGD COC(=O)[C@@H](NS(=O)(=O)CBr)[C@@H](C)O 885505206 SPIWKXFRHYOUQW-UHNVWZDZSA-N 290.135 -0.819 50 20 CBGD C[C@H](NNC(=O)c1cn(C)c(=O)n1C)C(F)(F)F 912898040 FLSTXXQWFODWAJ-YFKPBYRVSA-N 266.223 -0.091 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@H]2[C@H](N(C)C)[C@H]2C1 931281327 YCIUXCQRJLMSKW-SVDPJWKOSA-N 268.361 -0.576 50 20 CBGD Cc1ncccc1C(=O)NNC(=O)C(=O)NC1CC1 1116011546 BRQMLSGJBPJNNF-UHFFFAOYSA-N 262.269 -0.570 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNc1nccn(C)c1=O 1116456883 AEZIOUPRUIDBAS-SFYZADRCSA-N 252.274 -0.352 50 20 CBGD CNC(=S)N(C)NC(=O)CCc1nc(C)no1 1118771189 YJOIZZLTWIFIBF-UHFFFAOYSA-N 257.319 -0.222 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1CCc2nnn(C)c2C1 1119911909 SLKPUFFSFYVYRQ-JTQLQIEISA-N 289.339 -0.129 50 20 CBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)C1CCC1 1263730434 ZDBJBMHIIANFAF-GXSJLCMTSA-N 266.345 -0.678 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(C(=O)NC)nc1 1318271551 SHJQDBNBZYDPIL-UHFFFAOYSA-N 265.273 -0.595 50 20 CBGD O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1nc[nH]n1 1319336326 KYISIPIMOTXSNL-UHFFFAOYSA-N 275.272 -0.519 50 20 CBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cc(C)ccc1C 1320579688 HJKSTDQYZGERQR-UHFFFAOYSA-N 293.279 -0.438 50 20 CBGD COCC(=O)NCCC(=O)NNc1ccnc(F)c1 1320807119 ZTTACIFZRGLAEX-UHFFFAOYSA-N 270.264 -0.184 50 20 CBGD COC(=O)C(=O)NN=C1CCCc2c1ccc(=O)n2C 1324201928 LLXMFOUYNVAXJX-UHFFFAOYSA-N 277.280 -0.285 50 20 CBGD CC(=O)NNC(=O)c1nnn(Cc2cc(C)no2)c1C 1324214955 VXTFVIRJBRDUBV-UHFFFAOYSA-N 278.272 -0.288 50 20 CBGD C[C@@H](C(=O)NN=c1cc[nH]cc1)N1C(=O)CCC1=O 1325091803 RVFQAJWCBSBTGZ-QMMMGPOBSA-N 262.269 -0.516 50 20 CBGD O=C(Cc1ccc(Cl)cn1)NNC(=O)[C@@H]1CCC(=O)N1 1331613325 APIYBSCJCKILNO-VIFPVBQESA-N 296.714 -0.297 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1CCC(F)(F)C1 1331736676 NZCZKGGSYOEOBU-LURJTMIESA-N 284.284 -0.386 50 20 CBGD CCNC(=O)N(C)NC(=O)C[C@]1(O)CCCNC1 1341719577 SCTQCOFYNJHOLQ-LLVKDONJSA-N 258.322 -0.817 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@]1(F)CCOC1 1342333573 VXFDJGRGVQBMDW-JTQLQIEISA-N 256.237 -0.772 50 20 CBGD Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](B(O)O)C1 1351730791 ZYVPHCAABSNCKT-SSDOTTSWSA-N 279.061 -0.134 50 20 CBGD CC1(C)[C@@H](N)C[C@@H]1C(=O)NNC(=O)c1cccnn1 1576370692 DFXMAZWQEKXPGF-APPZFPTMSA-N 263.301 -0.389 50 20 CBGD CSc1cc(C(=O)NNC(=O)NCCN)co1 1579386569 GWQJZDNKKLVZFX-UHFFFAOYSA-N 258.303 -0.096 50 20 CBGD O=C(NNC(=O)C(F)(F)C1(O)CCCC1)[C@H]1CCN1 1580733502 WQWXCHQXJOXTOC-SSDOTTSWSA-N 277.271 -0.564 50 20 CBGD C[C@H](C(=O)N1CC=C(C#N)CC1)n1cnc(-c2nn[nH]n2)n1 1588948382 JJQJUMVAFDLGLF-MRVPVSSYSA-N 299.298 -0.299 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNc1ncc(F)cc1F 1593911271 JQKVSZNPQUAFES-ZCFIWIBFSA-N 261.184 -0.098 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H]1C[C@H](C(=O)O)C1 1594780241 OWPJBTOSCVJAQJ-KBTIHESUSA-N 267.245 -0.783 50 20 CBGD C[C@@H](C(=O)O)N(C)CC(=O)NNC(=O)c1ccc(F)cc1 1599830679 UFRLIANBMHYFOV-QMMMGPOBSA-N 297.286 -0.008 50 20 CBGD C[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847564448 WMEFMXJJDDBSNG-XFWSIPNHSA-N 290.747 -0.831 50 20 CBGD CCNC(=O)NNC(=O)c1nc2nc(C)cc(C)n2n1 49183358 AKJDETFHDKKCAE-UHFFFAOYSA-N 277.288 -0.295 50 20 CBGD CC(=O)NNC(=O)CNC(=O)c1cc(F)cc(F)c1 57292260 XMYOVTGOBBUFRX-UHFFFAOYSA-N 271.223 -0.138 50 20 CBGD CCn1nc(C)c(NC(=O)NNC(=O)CO)c1C 183653369 PWECVNZTWDJRBV-UHFFFAOYSA-N 255.278 -0.335 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1Cc2ccccc2C(=O)O1 265079192 PSNATGGGYVUJFU-NSHDSACASA-N 291.307 -0.523 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H](C)NC(N)=O)n1 266877270 BIOCJGLLWMGRQJ-LURJTMIESA-N 268.277 -0.706 50 20 CBGD COc1ccnc(NNC(=O)C2CN(C(C)=O)C2)n1 276334521 RQOGUFYSIZCYFX-UHFFFAOYSA-N 265.273 -0.593 50 20 CBGD CC(=O)NNC(=O)[C@@H]1COCCN1CC(F)(F)F 367350076 RVPQYJUCBCZENX-ZETCQYMHSA-N 269.223 -0.583 50 20 CBGD C[C@@H](CNC(=O)c1ccc(B(O)O)cc1)c1nncn1C 584979600 ZEPZJLMQZWRBTG-VIFPVBQESA-N 288.116 -0.972 50 20 CBGD CC(C)[C@H](CO)CNC(=O)c1cccc(B(O)O)c1 584989788 JGNQOUTUVCSLQU-NSHDSACASA-N 265.118 -0.639 50 20 CBGD CO[C@H]1COCC[C@H]1CNCc1ccc(B(O)O)cc1F 585043509 NORARGWNKJXFIP-FZMZJTMJSA-N 297.135 -0.353 50 20 CBGD O=C1[C@@H](NCc2ccc(B(O)O)o2)C[C@@H]2CCCCN12 585044418 IDRXJRZZGBOSQX-ONGXEEELSA-N 278.117 -0.798 50 20 CBGD O=C(NCB(O)O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 585057060 JNRKDCVGJGJMNS-UHFFFAOYSA-N 293.088 -0.063 50 20 CBGD CCCNC(=O)NNS(=O)(=O)c1ccnn1C 727362027 LQLQVYKMNKWQSF-UHFFFAOYSA-N 261.307 -0.677 50 20 CBGD COc1ccccc1C(=O)NNC(=O)c1n[nH]c(O)n1 731834398 AZDMTYMDDRSVLS-UHFFFAOYSA-N 277.240 -0.406 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)N1C(=O)CCC1=O 732084263 UYLGHRIUSGGCRB-ZETCQYMHSA-N 293.283 -0.983 50 20 CBGD O=C(NNC(=O)[C@H](O)c1cccnc1)c1ccccn1 732257605 VEUCHZKACPZCKY-LLVKDONJSA-N 272.264 -0.029 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCCOC2)cn1 735446322 OOOJKENTCASSDL-MRVPVSSYSA-N 252.274 -0.392 50 20 CBGD CCCCNC(=O)NNC(=O)CSCC(N)=O 735655059 YECUAJUPWVCLBO-UHFFFAOYSA-N 262.335 -0.665 50 20 CBGD CCNC(=O)NNC(=O)[C@@]1(C)CCN(C(C)=O)C1 746839200 UOVQVAQARGIOIT-NSHDSACASA-N 256.306 -0.405 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1c(F)cccc1F 748171173 JJENDIKPOWFSOM-UHFFFAOYSA-N 279.268 -0.043 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)C(F)(F)C1(O)CCC1 755279558 OOKPRJGEJWEDOA-UHFFFAOYSA-N 288.254 -0.350 50 20 CBGD COc1ccnc(NNC(=O)Cn2cc([C@@H](C)O)nn2)n1 762972465 GJAYOQRKLURWPG-SSDOTTSWSA-N 293.287 -0.727 50 20 CBGD O=C(NCC(F)F)C(=O)NNC(=O)C1CCCC1 767580913 ZEWGKTIURNUQBP-UHFFFAOYSA-N 263.244 -0.295 50 20 CBGD O=C1CC(C(=O)NNc2ccc([N+](=O)[O-])cc2)=NN1 768246652 FXJQBJDHGHYIJH-UHFFFAOYSA-N 263.213 -0.086 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@]12CCOC2 772360188 UUFIMZUEYPDJFA-MWODSPESSA-N 284.312 -0.098 50 20 CBGD COCCCNC(=O)NNC(=O)CC1OCCO1 793198791 KMBFMCJKZIHZLN-UHFFFAOYSA-N 261.278 -0.884 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)N=c1cc[nH]cc1 802036408 WENWPHMKWAGCSL-SECBINFHSA-N 277.284 -0.723 50 20 CBGD CC(C)(C)C(=O)NNC(=O)N1CC[C@H](CC(N)=O)C1 808268710 XEXWTCMXBPNEIU-MRVPVSSYSA-N 270.333 -0.029 50 20 CBGD C[C@@H](CNC(=O)NNc1ncncc1F)S(C)(=O)=O 814314408 COFZSMKXVOBCPY-LURJTMIESA-N 291.308 -0.325 50 20 CBGD COC[C@@]1(C(=O)NNc2nc(C)cc(OC)n2)CCNC1 817944144 YCHUNSOTMNWBPF-CYBMUJFWSA-N 295.343 -0.137 50 20 CBGD O=C(O)c1ccc(C(=O)NNC(=O)[C@@H]2COCCO2)cc1 821544418 QCMUPHLGUHQWQM-JTQLQIEISA-N 294.263 -0.439 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CC1(CS(C)(=O)=O)CC1 823951293 JKMWZOIZQSCWFO-VIFPVBQESA-N 278.374 -0.455 50 20 CBGD CC[C@@H](C(=O)NN(C)[C@H](C)CO)N1CCCC1=O 823951671 MGLYDRPZPIZOMU-ZJUUUORDSA-N 257.334 -0.269 50 20 CBGD CC(C)c1nnnn1CC(=O)NNC(=O)[C@@H]1CCCCO1 833246447 KQZSAEBFABRCHB-VIFPVBQESA-N 296.331 -0.487 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 843645414 HQILHJXVLXLSJI-IUCAKERBSA-N 269.301 -0.819 50 20 CBGD Cc1cc(=O)c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cn1C 843970727 KGZIZMJTCMAHNO-ZJUUUORDSA-N 293.323 -0.120 50 20 CBGD C[C@H](O)C(=O)N1CCN(S(=O)(=O)CCl)CC1 849382377 HXTYHHOUKHOTMS-ZETCQYMHSA-N 270.738 -0.963 50 20 CBGD C[C@H](O)C[C@@H]1COCCN1S(=O)(=O)CCl 849387644 VLLQCYIGGLJNNB-JGVFFNPUSA-N 257.739 -0.016 50 20 CBGD CO[C@@H](C)CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 852393703 HTHQTZLVBQBAFO-YIZRAAEISA-N 259.306 -0.223 50 20 CBGD CN(C)C[C@H](CO)NC(=O)/C(C#N)=C/c1cnn(C)c1 854466178 XWKNAIODBXCHQI-KBVBDRTLSA-N 277.328 -0.634 50 20 CBGD CC1(CCNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 858408514 UZEACVZVLONYIW-MRVPVSSYSA-N 268.317 -0.214 50 20 CBGD CON(C)C(=O)[C@@H](C)NC(=O)NNc1ncncc1F 858989166 ZKMNRORLFBJCLQ-ZCFIWIBFSA-N 286.267 -0.350 50 20 CBGD CO[C@H](C)CCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862461742 QYFFRQYRCIAKLF-HTQZYQBOSA-N 257.290 -0.773 50 20 CBGD COC(=O)C12CC(C(=O)NNC(=O)c3cn[nH]c3)(C1)C2 862469199 BKYWTEJLSJVKND-UHFFFAOYSA-N 278.268 -0.486 50 20 CBGD COCC(=O)N(C)CC(=O)NN=c1cc[nH]c(C)c1 862514515 PEOIQAJHGVPXRC-UHFFFAOYSA-N 266.301 -0.640 50 20 CBGD CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNC(=O)CO 863903735 RSVRYNYCZPYWLM-QMMMGPOBSA-N 289.332 -0.228 50 20 CBGD COC[C@@H](NS(=O)(=O)CC(C)(C)CCl)C(N)=O 867022947 MFPFMUSCXUCNEW-SSDOTTSWSA-N 286.781 -0.329 50 20 CBGD CC(C)(CCl)CS(=O)(=O)NCC(=O)NCC#N 867266328 UYXWELIMUGYQDH-UHFFFAOYSA-N 281.765 -0.189 50 20 CBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNC(=S)NC(C)(C)C 899995933 JWISZTFFIDJZHF-RITPCOANSA-N 274.346 -0.223 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)cn1 906732422 VNOLTYGRLNSOSV-SZEHBUNVSA-N 262.269 -0.594 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCCCS1(=O)=O 910151233 AVJJLACASGZMGS-DTWKUNHWSA-N 264.347 -0.703 50 20 CBGD COC(=O)c1ccc(C(=O)NN(C)C[C@@H](C)O)nc1 910173867 OMKZOTGYNICYKR-MRVPVSSYSA-N 267.285 -0.174 50 20 CBGD Cn1[nH]c(C2CCN(S(=O)(=O)CCl)CC2)nc1=N 918651960 QRHBTPRSIAXIHL-UHFFFAOYSA-N 293.780 -0.067 50 20 CBGD Nc1ncccc1C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1116289008 RJLZNJGKBVMPSA-SECBINFHSA-N 297.340 -0.516 50 20 CBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1CC[C@H](O)CC1 1118062194 BYLGEYKGSVTHJV-MGCOHNPYSA-N 298.343 -0.757 50 20 CBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ncncc1F 1118316725 JARPCXRKFZIYNR-RITPCOANSA-N 253.237 -0.430 50 20 CBGD CCc1cc(C(=O)N2CC[C@@H](B(O)O)C2)n(C)n1 1119606840 MJJMVWRXNJKONV-MRVPVSSYSA-N 251.095 -0.329 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1 1120663898 PJOJMUBVZHNMDO-KWQFWETISA-N 281.316 -0.743 50 20 CBGD COc1cc(C(=O)NNC(=S)NC(C)C)nn1C 1255111976 ZRTJYUMHGOYMHC-UHFFFAOYSA-N 271.346 -0.054 50 20 CBGD COCCOC[C@H](C)NC(=O)NNC(=O)c1cnn(C)c1 1319030818 ZRYBGEDZHHLUHR-VIFPVBQESA-N 299.331 -0.584 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(C(=O)NC)CC1 1320371078 SXCZRACCONKFCZ-ZETCQYMHSA-N 285.300 -0.998 50 20 CBGD NC(=O)C(=O)NN=Cc1ncc(Br)s1 1326227885 QUKDWCFWJWUUBP-UHFFFAOYSA-N 277.103 -0.159 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@]1(F)CCOC1 1329537381 CPKBBABBDAYURK-LAEOZQHASA-N 260.265 -0.313 50 20 CBGD CS(=O)(=O)CCC(=O)NNC(=O)OCC(F)(F)F 1331278478 ALRPQJQTUMUWPZ-UHFFFAOYSA-N 292.235 -0.259 50 20 CBGD Cc1nnc(NNC(=O)CCc2cn[nH]c2)nc1O 1335407129 KCMFHLXHSIDWLO-UHFFFAOYSA-N 263.261 -0.315 50 20 CBGD O=C(N[C@@H]1CN2CCC1CC2)c1ccc(B(O)O)cc1 1336083135 YJMRVOLZSRXVFW-CYBMUJFWSA-N 274.129 -0.810 50 20 CBGD O=C(NNc1ncnc2[nH]cnc12)c1cnccn1 1339395417 ALCMJTREXORVBP-UHFFFAOYSA-N 256.229 -0.100 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1CCCS(=O)(=O)C1 1349523536 ULZFWZBZLJPDTE-MRVPVSSYSA-N 293.414 -0.285 50 20 CBGD CC(C)CC(=O)NNC(=O)CCNC(=O)[C@@H](N)C(C)C 1575521647 BQAOEMYGVHTXBU-LBPRGKRZSA-N 286.376 -0.331 50 20 CBGD C[C@]1(C(=O)NNc2nccnc2Cl)CNCCO1 1576351480 ZZWUUDQCIGZDIG-SNVBAGLBSA-N 271.708 -0.048 50 20 CBGD O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21)C1CCNCC1 1580732384 BDKIXNYUMOPHPZ-INTQDDNPSA-N 265.313 -0.642 50 20 CBGD CC(C)C[C@@H]1C[C@@H](NC(=O)NNC(=O)C(=O)O)CCO1 1591206836 ZEAJZJZOFJDJTC-DTWKUNHWSA-N 287.316 -0.005 50 20 CBGD CNC(=S)N(C)NC(=O)[C@]1(C(=O)O)CCCO1 1593797346 HKUVFJBQOJPFBT-VIFPVBQESA-N 261.303 -0.913 50 20 CBGD COc1ccc(CNC(=O)NNC(=O)C(=O)O)cc1O 1599566678 CBSPIHGEVKHBOZ-UHFFFAOYSA-N 283.240 -0.684 50 20 CBGD CN(NC(=O)c1cn(CC(=O)O)nn1)c1ccccn1 1604195828 WHHAYFYIKOWQTA-UHFFFAOYSA-N 276.256 -0.461 50 20 CBGD O=C(CO)NN=C1CCCc2cc(-c3nn[nH]n3)cnc21 1606559923 OXDWSALYRQLBFC-UHFFFAOYSA-N 287.283 -0.589 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H](C1CC1)[C@H]1CCCCO1 1608476959 CZKQWVUDSPSYQM-RKDXNWHRSA-N 285.300 -0.251 50 20 CBGD NCC(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1 1843363135 RDJFGBGNTRPANT-QMMMGPOBSA-N 263.700 -0.317 50 20 CBGD COC(=O)CN(C)S(=O)(=O)CBr 127009035 TUBNNKHVMRKIHT-UHFFFAOYSA-N 260.109 -0.227 50 20 CBGD N#C[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)CCO1 155579980 HFCADLNDHNFCQW-GFCCVEGCSA-N 288.307 -0.328 50 20 CBGD NC[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)CCO1 165668435 MPPJENYXEHMYHQ-GFCCVEGCSA-N 292.339 -0.893 50 20 CBGD COC(=O)N[C@H](C(=O)NNC(=O)CN(C)C)C(C)C 265025892 FMXYZKWDZLHVNJ-VIFPVBQESA-N 274.321 -0.924 50 20 CBGD COc1cc(C)nc(NNC(=O)N[C@H]2CCN(C)C2=O)n1 266922247 COIAHQJFWUFJRV-QMMMGPOBSA-N 294.315 -0.350 50 20 CBGD COC[C@@H](CNC(=O)NNc1ncccn1)OC 272940503 LVJBGJOSTCQWOI-MRVPVSSYSA-N 255.278 -0.236 50 20 CBGD CC[C@H](C(=O)NNC(=O)Cn1nc(C)cc1C)C(=O)OC 276670894 JHENGFPZVSFNMI-SNVBAGLBSA-N 296.327 -0.153 50 20 CBGD CN(C)S(=O)(=O)CCC(=O)NNc1ncccc1F 285869519 FOZNHBZVMDODNQ-UHFFFAOYSA-N 290.320 -0.055 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CSC(F)(F)F 298511956 OVWQPJWLWZBKFM-UHFFFAOYSA-N 287.263 -0.089 50 20 CBGD COC(=O)N(C)NC(=O)CNC(=O)NCc1ccco1 495693491 OZHZKNWYBNHTBD-UHFFFAOYSA-N 284.272 -0.192 50 20 CBGD O=C(NCCSCCCO)c1ccc(B(O)O)cc1 584962125 IPEFXMDARMCUDD-UHFFFAOYSA-N 283.158 -0.788 50 20 CBGD C[C@@]1(CO)CCC[C@H]1NC(=O)c1cccc(B(O)O)c1 584962662 OTERTOKEIPCXTH-OCCSQVGLSA-N 277.129 -0.353 50 20 CBGD C[C@H](CNC(=O)c1ccc(B(O)O)c(F)c1)[S@@](C)=O 584967028 PJOWQZONDSCXSN-QOLSBQFWSA-N 287.121 -0.998 50 20 CBGD N#CC1(CNC(=O)c2cc(B(O)O)ccc2F)CCC1 585000156 KBLBBDPFZOPHCI-UHFFFAOYSA-N 276.076 -0.071 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2CCO[C@@H]2C1 585000600 YZKOZSHWMGEHBN-CMPLNLGQSA-N 261.086 -0.773 50 20 CBGD C[C@H]1C[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)CO1 585003274 JKHCYVQRTXAYIJ-IONNQARKSA-N 267.065 -0.587 50 20 CBGD CC(C)(C)N1CC[C@H](NCc2ccc(B(O)O)o2)C1=O 585048272 MLMGIEHMNOLXIH-JTQLQIEISA-N 280.133 -0.552 50 20 CBGD Cc1cn(-c2ccccc2)nc1C(=O)NCB(O)O 585062069 CHLOAYODYIKMIW-UHFFFAOYSA-N 259.074 -0.077 50 20 CBGD CCNC(=O)CCCC(=O)NNC(=O)NC1CC1 732755780 WSWYUWRZIHGHRT-UHFFFAOYSA-N 256.306 -0.214 50 20 CBGD CN1CC[C@H](N(C)CC(=O)NNC(=O)C(C)(C)C)C1=O 744404353 OQAJODHLELGWHB-VIFPVBQESA-N 284.360 -0.658 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H](C)COC 748454895 SNPNPFPUPUEQIE-BDAKNGLRSA-N 277.321 -0.597 50 20 CBGD Cc1ccc(CC(=O)NNC(=O)C(=O)NC(C)C)o1 753901119 XBAGHFXHWIPGCQ-UHFFFAOYSA-N 267.285 -0.197 50 20 CBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)NCCC 761146940 KVICQXQCBLIMBR-UHFFFAOYSA-N 294.377 -0.554 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@@]1(O)CCSC1 765843675 CTCZPHFALMZMNG-GFCCVEGCSA-N 281.337 -0.361 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H](O)CCSC 770246937 KRKZIFVJJDQUTD-ZETCQYMHSA-N 297.471 -0.041 50 20 CBGD C[C@H](C(=O)NC(C)(C)C)N(C)CC(=O)NNC(=O)C1CC1 776857262 JOUVXSKRDZWXQG-SECBINFHSA-N 298.387 -0.221 50 20 CBGD CCOC(=O)NNC(=O)c1cc(C(=O)OC)no1 777795958 OXONLLMNLCXXLW-UHFFFAOYSA-N 257.202 -0.148 50 20 CBGD Cn1nncc1NNC(=O)[C@H]1CCCN1C1CC1 816769194 XRVSAFAHTWEHLX-SECBINFHSA-N 250.306 -0.115 50 20 CBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)c1ccc[nH]1 816824021 NFKFHMXQYPJTCP-BQBZGAKWSA-N 250.258 -0.713 50 20 CBGD COCCN(C)NC(=O)C(=O)N1CCC[C@@H](C)C1 819744896 ICSFCHBHOBOBDM-SNVBAGLBSA-N 257.334 -0.146 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1COc2ccc(O)cc2O1 823913222 QFTRSMVUMHDFOV-PELKAZGASA-N 282.296 -0.124 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@H]2CCNC2=O)nc1 831286710 UKDBORPVSZRJLH-QMMMGPOBSA-N 278.268 -0.553 50 20 CBGD CCCN1C[C@H](C(=O)NNC(=O)c2cc(C)[nH]n2)CC1=O 839705473 JNQFYVIBLZJISR-SECBINFHSA-N 293.327 -0.262 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1 843657519 PMOIRRXVOXUKNM-GMSGAONNSA-N 269.301 -0.963 50 20 CBGD COC1CCN(S(=O)(=O)NNC(=O)C(C)C)CC1 849303553 FETGJDKECRUFFA-UHFFFAOYSA-N 279.362 -0.381 50 20 CBGD CC[C@H](COC)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858240936 VDWNDXWGUIOJGE-SFYZADRCSA-N 272.305 -0.980 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCOC2CCC2)N1 858257837 VHUHIQMCPVQGPL-VIFPVBQESA-N 284.316 -0.836 50 20 CBGD C=CCCOCCNC(=O)NNC(=O)c1cn[nH]c1 858323707 LKPORVWZZMONCI-UHFFFAOYSA-N 267.289 -0.054 50 20 CBGD C#C[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(C)C 858422066 FCWBDSWKUGLNBM-IUCAKERBSA-N 266.301 -0.747 50 20 CBGD C[C@H]1CCCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858690612 AQZSUNQSSKTBGI-DTWKUNHWSA-N 268.317 -0.262 50 20 CBGD COc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 862456195 NHFRJCHCYUZDPM-MRVPVSSYSA-N 278.268 -0.870 50 20 CBGD Cc1nc(SCCC(=O)NNC(=O)c2cn[nH]c2)n[nH]1 862472911 XCQUXZCZXPSSRJ-UHFFFAOYSA-N 295.328 -0.220 50 20 CBGD O=C(NNCC(F)(F)C(F)(F)F)[C@]1(O)CCOC1 863101665 CFUILKJXNJQFQH-LURJTMIESA-N 278.177 -0.044 50 20 CBGD O=C1CC[C@@H](C(=O)NN=Cc2ccc(O)c(O)c2O)N1 863144823 BFGDYRUFABWAMH-ZETCQYMHSA-N 279.252 -0.468 50 20 CBGD CC(C)n1cnc(C(=O)NNC(=O)CS(C)(=O)=O)c1 863466539 VEVSELPWKHVANH-UHFFFAOYSA-N 288.329 -0.730 50 20 CBGD O=C(N[C@@H]1CCN(CC(F)F)C1)c1cccc(B(O)O)c1 863884641 OXKVVKYFSLOQJJ-LLVKDONJSA-N 298.098 -0.564 50 20 CBGD COCCOCC(=O)NNC(=O)c1cncc(F)c1 869907626 CFVAFEFZVBYEIA-UHFFFAOYSA-N 271.248 -0.355 50 20 CBGD CCc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)n(C)n1 874257897 PYKGGWQNRZFBKF-UHFFFAOYSA-N 293.327 -0.634 50 20 CBGD O=S(=O)(CCCCl)NC[C@@H](O)Cn1ccnn1 882251603 PWKYQEJNWFLDSJ-MRVPVSSYSA-N 282.753 -0.813 50 20 CBGD C[C@H]1[C@@H](C)OCCN1C(=O)NNC(=O)c1cccnn1 883851374 QVBBLXIOMRRBBN-DTWKUNHWSA-N 279.300 -0.060 50 20 CBGD COC(=O)[C@H](CO)NC(=O)[C@@]1(C)C[C@@H]1Br 905868781 VNOXTHNFBDWLBW-WATHFIQWSA-N 280.118 -0.190 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CCc2nnn(C)c2C1 1119048316 XEGBLVOLPVSBJE-VIFPVBQESA-N 267.333 -0.735 50 20 CBGD C=CCNC(=S)NNC(=O)C(=O)c1c(C)nn(C)c1C 1248462552 LBIMDOVILFYMEM-UHFFFAOYSA-N 295.368 -0.099 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@@H]1CCC(=O)[C@H]1C 1256324967 RRYTUKKZENBIOB-IUCAKERBSA-N 283.328 -0.336 50 20 CBGD O=C(Cc1cc(O)nc(O)n1)NN=Cc1cc[nH]c1 1318834817 OIXHYKXVNRXABZ-UHFFFAOYSA-N 261.241 -0.091 50 20 CBGD CN(C)c1nccc(NNC(=O)C[C@@H]2COC(=O)C2)n1 1319801571 ZINFTESMKAGKKC-QMMMGPOBSA-N 279.300 -0.061 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ncc(C)s1 1321591133 HRRPTJRJZTVCHD-UHFFFAOYSA-N 272.286 -0.816 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H](C)n1cnc(C#N)n1 1326362235 CYZUNMGBSICSQV-VGMNWLOBSA-N 292.299 -0.717 50 20 CBGD Cc1nc(O)[nH]c1C(=O)NNC(=O)NCC1CC1 1329041084 XIUDYXVMYFBQFM-UHFFFAOYSA-N 253.262 -0.222 50 20 CBGD CC[C@@H]1C[C@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 1329079231 VYEHGFAMKZQKJO-OPRDCNLKSA-N 283.328 -0.382 50 20 CBGD CNC(=S)N(C)NC(=O)c1cn(CCOC)nn1 1330863998 VUVSSALEJSJLMT-UHFFFAOYSA-N 272.334 -0.995 50 20 CBGD CNC(=S)N(C)NC(=O)CCc1ncccn1 1331204063 PEIGLJKRQRMPPL-UHFFFAOYSA-N 253.331 -0.124 50 20 CBGD CCn1nncc1CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1332649090 BKVKUBOZQTWIBG-SCZZXKLOSA-N 296.331 -0.447 50 20 CBGD C/C(Cl)=C\C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1333993083 FEAKHMIDIOWWCY-PTYLAXBQSA-N 280.733 -0.289 50 20 CBGD O=C(CN1CCC(CO)CC1)NNC(=O)NC1CC1 1335752785 BKXXDLODUFLBCL-UHFFFAOYSA-N 270.333 -0.817 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)C[C@H]1CC(=O)N1 1347764947 WXCAAYNHEIVNPQ-MRVPVSSYSA-N 287.316 -0.798 50 20 CBGD O=C(NN=C1CCOC1)[C@@H]1CN2CCC[C@H]2CO1 1549316725 HXGGSPHDRGZVIU-QWRGUYRKSA-N 253.302 -0.258 50 20 CBGD CCc1cnc(O)c(C(=O)NNC(=O)[C@H]2CCN2)c1 1578245932 SMBCDAOIBRRERQ-SECBINFHSA-N 264.285 -0.528 50 20 CBGD Cc1c(C(=O)NNC(=O)NCCN)ccc2cncn12 1579526779 XGAYHEZTVUPIIJ-UHFFFAOYSA-N 276.300 -0.455 50 20 CBGD O=C(N[C@H]1CCC[C@H]1C(=O)O)c1cc(B(O)O)ccc1F 1594788939 MSLBKMRDWDXYBV-KCJUWKMLSA-N 295.075 -0.511 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O 1596864522 TYROBVRRBYGBRW-AFWDEOAXSA-N 283.284 -0.476 50 20 CBGD CONC(=O)CNC(=O)NNc1cccc(C(=O)O)c1C 1599320198 GBLSUJIJHWGNDA-UHFFFAOYSA-N 296.283 -0.003 50 20 CBGD COCC(=O)NNC(=O)c1ccc2c(c1)OCCO2 48426219 LPJBKUWWURFKMZ-UHFFFAOYSA-N 266.253 -0.135 50 20 CBGD O=C(CN(CCO)C1CC1)NNC(=O)c1cccs1 50104089 BJZYCKOMEUHVCL-UHFFFAOYSA-N 283.353 -0.034 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC(C(N)=O)CC1 109824769 CDPWOADZKOXJIP-JTQLQIEISA-N 298.387 -0.234 50 20 CBGD Cc1cnn(CCC(=O)NNC(=O)CN(C)C)c1 113425893 FCCZPOZTKNKTIK-UHFFFAOYSA-N 253.306 -0.709 50 20 CBGD CN(C)CC(=O)NNC(=O)Cc1cn2ccccc2n1 113426182 BUPNWDPACDIEPH-UHFFFAOYSA-N 275.312 -0.414 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)N1 264358319 FMKMVVRAZYLSPQ-SECBINFHSA-N 292.251 -0.366 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCS1(=O)=O)c1ccc[nH]1 274566628 CWSRRXGHJUXLNH-SECBINFHSA-N 285.325 -0.257 50 20 CBGD COC(=O)NC(C)(C)C(=O)NNC(=O)c1cccn1C 491190424 MLRQPNBPUKXRPY-UHFFFAOYSA-N 282.300 -0.079 50 20 CBGD COc1ccc(/C=C\C(=O)NNC(=O)CO)cc1OC 492424883 KRIUCTZFPDRWLP-XQRVVYSFSA-N 280.280 -0.143 50 20 CBGD CCO[C@H]1C[C@H]1NC(=O)c1cc(B(O)O)ccc1F 584981088 BNPCPJPGOXEOAM-MNOVXSKESA-N 267.065 -0.587 50 20 CBGD C[C@H]1SCC[C@H]1NC(=O)c1cccc(B(O)O)c1 585003596 UTSNQICYKJMKDG-LDYMZIIASA-N 265.143 -0.010 50 20 CBGD C[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1CCO 585007035 TYRFAQRCJJJWNZ-BXUZGUMPSA-N 291.156 -0.011 50 20 CBGD CN(CC(=O)N1CCCC1)C(=O)c1cccc(B(O)O)c1 585009541 XFDKFESRUPMDJK-UHFFFAOYSA-N 290.128 -0.939 50 20 CBGD CC[C@H](C)[C@@H](CO)NCc1cccc(B(O)O)c1 585025287 QGMRYPUNAWZINA-GXFFZTMASA-N 251.135 -0.137 50 20 CBGD OB(O)c1cccc(CNC[C@@H](O)C2CCOCC2)c1 585029331 QRMSKRFIMIGLJM-CQSZACIVSA-N 279.145 -0.757 50 20 CBGD CCOC[C@@H](C)CS(=O)(=O)N1CC[C@H](B(O)O)C1 585056786 WWYUUXAAXQJSMW-ZJUUUORDSA-N 279.167 -0.463 50 20 CBGD O=C(CC1CCC1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 742576339 AKKCLNNBJRUZOD-SECBINFHSA-N 289.357 -0.306 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)C)CC(=O)NC1CC1 744385879 YCZWPGLGZZMHDI-UHFFFAOYSA-N 284.360 -0.610 50 20 CBGD CC(C)NC(=O)NNC(=O)CCCN1C(=O)CN(C)C1=O 745146491 XDXTXVTZAMJOQZ-UHFFFAOYSA-N 299.331 -0.601 50 20 CBGD C[C@@H](OCC1CC1)C(=O)NNC(=O)N1CCOCC1 745996430 XHQQZJPVAZWLSD-SECBINFHSA-N 271.317 -0.126 50 20 CBGD CC[C@@H](C)OCC(=O)NNC(=O)N1CCOCC1 751774160 YSMPCJHTNFBJMM-SECBINFHSA-N 259.306 -0.126 50 20 CBGD CC(C)(CC(=O)NNC(=O)CO)NC(=O)OC(C)(C)C 753445352 GUCYDJWKZOUFDM-UHFFFAOYSA-N 289.332 -0.181 50 20 CBGD CCCCNC(=O)NNC(=O)Cn1cc([C@H](C)O)nn1 763031353 WLLXDMYXAXGGFO-QMMMGPOBSA-N 284.320 -0.538 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)c2ccc[nH]2)C1=O 771930182 NQDXWRYUDLLDLE-ZETCQYMHSA-N 250.258 -0.746 50 20 CBGD CC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 778671486 YNVHXBMWDOOALS-UHFFFAOYSA-N 288.329 -0.944 50 20 CBGD NC(=O)C(=O)NN=C1CCN(CCC(F)(F)F)CC1 779757752 JFKNNUKQWAUGDY-UHFFFAOYSA-N 280.250 -0.008 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1cn(C)c(Cl)n1 782477244 LPFUOBBDAJCYKX-UHFFFAOYSA-N 295.752 -0.072 50 20 CBGD Cc1csc(=O)n1CCC(=O)NNC(=O)C(C)(C)O 787949588 MFSBVISFUQZIBF-UHFFFAOYSA-N 287.341 -0.473 50 20 CBGD CN1CCN(CC(=O)NNc2nc3ccccn3n2)CC1 791261975 NDZLQNHWSQIBJX-UHFFFAOYSA-N 289.343 -0.580 50 20 CBGD CCNC(=O)NNC(=O)Cc1ccc(C(N)=O)cc1 792591219 CNVSZVRGEMNDML-UHFFFAOYSA-N 264.285 -0.322 50 20 CBGD Cc1c[nH]nc1C(=O)NNC(=O)CNC(=O)c1ccco1 799415145 VCORVOZYRBZJJF-UHFFFAOYSA-N 291.267 -0.498 50 20 CBGD COc1cccc(C(=O)NNC(=O)c2[nH]nnc2C)c1O 800689650 LPWPKNKXDCQAQB-UHFFFAOYSA-N 291.267 -0.098 50 20 CBGD CCOCC(=O)NNC(=O)Nc1cc(N(C)C)ncn1 810217555 HIZLCNGQJMIWMG-UHFFFAOYSA-N 282.304 -0.268 50 20 CBGD CC[C@H](CNC(=O)NNC(=O)[C@H](C)OCCOC)OC 812589844 IRTPEMHBZPQLHM-VHSXEESVSA-N 291.348 -0.207 50 20 CBGD O=C(CCOc1ccccc1)NNC(=O)C[C@@H]1CC(=O)N1 824701763 GNPQGAFWGWEBAN-JTQLQIEISA-N 291.307 -0.119 50 20 CBGD CC(C)(O)C(=O)NNC(=O)Cc1cncc(O)c1 832754408 IRUJADDFFCTUOM-UHFFFAOYSA-N 253.258 -0.752 50 20 CBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=O)c1ccc(Cl)nc1 841383201 ZTIYHWYXITUOED-YLWLKBPMSA-N 298.686 -0.007 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CN2CC[C@@H](N)C2)cc1 843344629 OETXJEDCJDDDJB-GFCCVEGCSA-N 276.340 -0.211 50 20 CBGD C[C@H](N)C(=O)NNc1ccccc1S(C)(=O)=O 843437087 NWEOMCZQAIHVJW-ZETCQYMHSA-N 257.315 -0.120 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnn(C)c1N 843970486 GSILAIXBHQXMAO-BQBZGAKWSA-N 267.289 -0.812 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H](N)CCN(C)C)n1 846671515 UYZHWHJZRJNSOU-VIFPVBQESA-N 282.348 -0.484 50 20 CBGD Cc1cccc(C(=O)NNC(=O)N2CCN(C)C(=O)C2)n1 846716367 AFBBIAJPXVQOLK-UHFFFAOYSA-N 291.311 -0.482 50 20 CBGD Cn1cnc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1 853390272 RUDBUHSGMUNQLV-NEPJUHHUSA-N 277.328 -0.267 50 20 CBGD COCCCNC(=S)N(C)NC(=O)c1cnn(C)n1 854285486 LZIRLBPNZUIBER-UHFFFAOYSA-N 286.361 -0.697 50 20 CBGD O=C(NNC(=O)C1(O)CCC1)c1cccc(F)n1 856423304 QYOWLDUOIJSQFF-UHFFFAOYSA-N 253.233 -0.103 50 20 CBGD CC(C)CS(=O)(=O)CC(=O)NNc1ccncn1 857520646 HCXAMWJNPYIYGC-UHFFFAOYSA-N 272.330 -0.010 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NC(C2CC2)C2CC2)N1 858127677 MHFHQPDDWBKJHG-VIFPVBQESA-N 280.328 -0.216 50 20 CBGD CN(C[C@@H]1CCCN1C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858702272 GNLLJEMFLSPFPJ-VHSXEESVSA-N 297.359 -0.968 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc(C3CC3)on2)N1 862452213 UMZAZNAWWWBISP-SSDOTTSWSA-N 278.268 -0.408 50 20 CBGD O=C(CSC(F)(F)F)NNC(=O)[C@H]1CCC(=O)N1 862452602 YLBMXNDQPFHQBC-SCSAIBSYSA-N 285.247 -0.335 50 20 CBGD CC1=C(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCCO1 862457191 CUJHMRYGWKQAEJ-SECBINFHSA-N 267.285 -0.503 50 20 CBGD Cc1ccncc1/C=C/C(=O)NNC(=O)[C@H]1CCC(=O)N1 862461028 KNWLLULQUPBPNV-JRBALWBOSA-N 288.307 -0.171 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)C1 863464592 QYXMDHCBFJAPAS-JGVFFNPUSA-N 262.331 -0.385 50 20 CBGD CCOC(=O)C[C@H](C)NC(=O)c1ccc(B(O)O)cc1 863879864 FNCMMKGRVKCZSM-VIFPVBQESA-N 279.101 -0.562 50 20 CBGD COC(=O)N(C)NC(=O)N[C@@H](C)[C@H]1CN(C)CCO1 875400251 KSKXXIXIXTZIFH-DTWKUNHWSA-N 274.321 -0.382 50 20 CBGD CCc1cc(CNCc2ccc(B(O)O)cc2)n[nH]1 877033603 HJAGLUOKVLUYHG-UHFFFAOYSA-N 259.118 -0.058 50 20 CBGD C[C@H]1CCc2[nH]nc(C(=O)NNC(=O)CN(C)C)c2C1 896128861 NHNPAUWBBHKQMO-QMMMGPOBSA-N 279.344 -0.143 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@H]2OCCN(C)C2=O)n1 900077377 ZRZYIZLQYDSMSP-SECBINFHSA-N 279.300 -0.606 50 20 CBGD CCOCCNC(=S)NNC(=O)C1CCOCC1 905569938 VYXOBUUGLVHSKZ-UHFFFAOYSA-N 275.374 -0.055 50 20 CBGD C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)CN2CCCC2=O)[C@@H]1C 913730206 LNGOYIKRBZSUPS-BSTOTGJRSA-N 297.355 -0.184 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NN=Cc1cnn(C)c1 917212074 FQXOJCLLZJWSTN-LLVKDONJSA-N 279.344 -0.162 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 1116280186 PUJSRMGQXBFCHB-HLTSFMKQSA-N 285.300 -0.553 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H](O)c1cccnc1 1257428542 WMAIBDFTXVCBIZ-NSHDSACASA-N 275.268 -0.772 50 20 CBGD O=C(NC[C@H]1CCCO1)NNC(=O)c1ncccn1 1312718505 PNCRMKXKYLGUJF-MRVPVSSYSA-N 265.273 -0.400 50 20 CBGD CNC(=O)CCCCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 1329546272 BMDSGTBOZJELSP-UWVGGRQHSA-N 285.344 -0.135 50 20 CBGD C[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)C(=O)N1CCCC1 1329898394 PYRUDIPMWQHMRD-SECBINFHSA-N 293.327 -0.642 50 20 CBGD O=C(O)C1(C(=O)N2CC[C@@H](B(O)O)C2)CCSCC1 1331894278 CAQSQTQZWFULIS-MRVPVSSYSA-N 287.146 -0.340 50 20 CBGD O=C(CCCn1ccccc1=O)N1CC[C@H](B(O)O)C1 1331895630 NCWGSQWHTJKYAM-NSHDSACASA-N 278.117 -0.296 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@H]2CCSC2)N1 1332649354 FFZIHXAAMIGUSV-SFYZADRCSA-N 286.357 -0.652 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)c1ccc(O)nn1 1337637655 INZYVOHDONHXKR-UHFFFAOYSA-N 264.163 -0.104 50 20 CBGD O=C(NNC(=O)[C@H](O)C1CC1)c1n[nH]c2c1CCCC2 1347300963 XVYIWHNEQDMAIY-LLVKDONJSA-N 278.312 -0.180 50 20 CBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NN=c1cc[nH]cc1 1521309062 RWYHMWFKBDDJGI-ZYHUDNBSSA-N 261.329 -0.665 50 20 CBGD CC(C)(C)OC(=O)NC1(C(=O)NNC(=O)[C@H]2CCN2)CC1 1575208996 XUXDCKOJPBNPKI-MRVPVSSYSA-N 298.343 -0.447 50 20 CBGD CO[C@@H](CN)C(=O)NNC(=O)CCOc1ccccc1 1579111001 BCFRBOKSDPZUGD-NSHDSACASA-N 281.312 -0.423 50 20 CBGD COCCN(C)NC(=O)[C@@H]1CO[C@H](CCC(=O)O)C1 1604583870 HTCSIBGCUZBWHY-VHSXEESVSA-N 274.317 -0.134 50 20 CBGD COC(=O)NNC(=O)Nc1cc(C(=O)O)nn1C 1606494522 CNZASRBVQNZDLB-UHFFFAOYSA-N 257.206 -0.489 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@H](C)CC(=O)O 1606900081 CEIUXTXWMODZBX-QMMMGPOBSA-N 276.289 -0.702 50 20 CBGD Cn1c(C(=O)NNc2ccc(C(=O)O)cn2)cnc1O 1608079989 XEQMCABJXBZETD-UHFFFAOYSA-N 277.240 -0.024 50 20 CBGD Cn1nc(C(=O)O)cc1C=NNC(=O)CN1CCCC1=O 1776024945 LNJLSWPWVSFKQS-UHFFFAOYSA-N 293.283 -0.809 50 20 CBGD CS(=O)(=O)NC1CCN(C(=O)CCl)CC1 37498501 BVUXJTSYUCCOGL-UHFFFAOYSA-N 254.739 -0.235 50 20 CBGD CCOC(=O)NNC(=O)COc1ccc(C(N)=O)cc1 63925609 BQBNLQCHAYGWNA-UHFFFAOYSA-N 281.268 -0.058 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H](C)Cn1ccnc1 66687402 YIOKRXTXEJMDKF-VIFPVBQESA-N 269.305 -0.362 50 20 CBGD C[C@]1(O)CCN(CC(=O)NNC(=O)c2cccs2)C1 226206714 BXAREOLHXZBJAO-LBPRGKRZSA-N 283.353 -0.034 50 20 CBGD O=C(NNC(=O)C1CC1)c1ccc2[nH]c(=O)[nH]c2n1 283030675 RCAKPMYJLVKGLX-UHFFFAOYSA-N 261.241 -0.578 50 20 CBGD Cc1n[nH]c(SCC(=O)NNC(=O)[C@@H]2CCCCO2)n1 295649828 UVPADTPRTMGYBF-QMMMGPOBSA-N 299.356 -0.078 50 20 CBGD O=C(NC[C@H]1CCC[C@@H](O)C1)c1ccc(B(O)O)c(F)c1 584951457 QNQYMDNMYKANGJ-GXSJLCMTSA-N 295.119 -0.214 50 20 CBGD O=C(NCC[C@H]1CCOC1)c1ccc(B(O)O)c(F)c1 584977722 YTSSYICGOGEYCJ-VIFPVBQESA-N 281.092 -0.338 50 20 CBGD O=C(NC[C@@H]1CC[C@H](O)C1)c1ccc(B(O)O)c(F)c1 584980136 RLBCURKKGKSMEW-SCZZXKLOSA-N 281.092 -0.604 50 20 CBGD CN(C)CCCCNCc1cccc(B(O)O)c1 585019844 SOKKNYFZWFOKSM-UHFFFAOYSA-N 250.151 -0.202 50 20 CBGD Cc1ccc([C@@H](O)CNCc2ccc(B(O)O)o2)o1 585025051 KRDJXUVLKYZMEF-JTQLQIEISA-N 265.074 -0.316 50 20 CBGD CCO[C@@H]1COCC[C@H]1NCc1cccc(B(O)O)c1 585034595 KHLLHDBPQKLTSH-ZIAGYGMSSA-N 279.145 -0.350 50 20 CBGD C[C@H](c1ccccc1)N1C[C@@H](C(=O)NCB(O)O)CC1=O 585057277 BCDHPWBTYALXGY-PWSUYJOCSA-N 290.128 -0.276 50 20 CBGD CNC(=O)NNC(=S)NCCc1cccnc1 727698371 NOZLYXRFBNNWHY-UHFFFAOYSA-N 253.331 -0.068 50 20 CBGD Cc1n[nH]c(C)c1C=NNC(=O)[C@@H](C)NS(C)(=O)=O 728435306 XMYMHMGDOCGBOY-MRVPVSSYSA-N 287.345 -0.586 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C)o1 729833324 FFKRXURDXDUPBI-SECBINFHSA-N 265.269 -0.064 50 20 CBGD CCCC[C@@H](NC(N)=O)C(=O)NNC(=O)Cc1cc[nH]n1 730091777 VMUGXROKKTZIKC-SECBINFHSA-N 296.331 -0.673 50 20 CBGD CC[C@H](COC)NC(=O)NNC(=O)c1cnn(C)c1 738503196 PMNWXUSRBNZCQH-SECBINFHSA-N 269.305 -0.211 50 20 CBGD O=C(CO)NNC(=O)c1cccc(Nc2ncccn2)c1 753446030 ZAJNSJTWQDDTSX-UHFFFAOYSA-N 287.279 -0.027 50 20 CBGD Cc1ccc(NNC(=O)NC[C@H](C)S(C)(=O)=O)nn1 754127563 BBBVHXZFCNLQFM-QMMMGPOBSA-N 287.345 -0.156 50 20 CBGD CN(CC(=O)NNC(=O)c1ccccc1)[C@H]1CCNC1=O 759426748 XIICOPVPIKCAPC-NSHDSACASA-N 290.323 -0.732 50 20 CBGD COCC(=O)NNC(=S)NCCc1cccnc1 761836545 DXHGQKXQPZEHPC-UHFFFAOYSA-N 268.342 -0.234 50 20 CBGD O=C(NNC(=O)[C@@H]1CN2CCCN1CC2)C1CCCC1 763769472 BITMSTZJULEJPB-LBPRGKRZSA-N 280.372 -0.286 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(F)c(C)c1 764303934 UXGQHLAABNCPQU-UHFFFAOYSA-N 283.259 -0.134 50 20 CBGD COC(=O)COc1ccc(C(=O)NN(C)C(N)=O)cc1 778417268 QRQUGLFDFWUGBE-UHFFFAOYSA-N 281.268 -0.106 50 20 CBGD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NNC(=O)c1ccc[nH]1 779489120 NJKYGWVIQIDTBL-XVKPBYJWSA-N 294.311 -0.949 50 20 CBGD COc1ccc(NNC(=O)CN2CCN(C)CC2)nc1 781527666 JNWYBDLMDDGGHN-UHFFFAOYSA-N 279.344 -0.219 50 20 CBGD COc1ncc(NC(=O)NNC(=O)C(C)C)cc1C(N)=O 782588946 GYRZLYYCXUEATI-UHFFFAOYSA-N 295.299 -0.002 50 20 CBGD CC(C)(NCC(=O)NNC(=O)C1CC1)C(=O)N1CCCC1 796584913 OFLYFSGHEYCRGS-UHFFFAOYSA-N 296.371 -0.466 50 20 CBGD CCC[C@@H](C(=O)NNc1ncccn1)S(N)(=O)=O 816849445 ZMWPVYLRPHDSTN-ZETCQYMHSA-N 273.318 -0.623 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2CC[C@H]2C(N)=O)n1 816860517 OBDMNGPFQBUVPH-RNFRBKRXSA-N 265.273 -0.560 50 20 CBGD CN(NC(=O)CCC(=O)N1CCOCC1)C1CC1 819641038 LWYGXGALQHSYHH-UHFFFAOYSA-N 255.318 -0.249 50 20 CBGD COCCN(C)NC(=O)[C@H](NC(N)=O)C(C)(C)C 819744842 FLHGLPLADRXDBY-QMMMGPOBSA-N 260.338 -0.321 50 20 CBGD Cn1nnnc1CNC(=O)[C@]1(C)C[C@@H]1Br 820102887 IFNFSHHMQOQVHI-YLWLKBPMSA-N 274.122 0.000 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC1(CC(N)=O)CC1 826984340 FKPMKLPOYUXECL-IUCAKERBSA-N 298.343 -0.603 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@H]1CC(=O)N1 827004867 ASWITFHCVIXTSJ-MRVPVSSYSA-N 263.253 -0.655 50 20 CBGD CCN(C)S(=O)(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 842593528 VTCQXCPXYUUARY-HTQZYQBOSA-N 265.335 -0.771 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ccn(C)n1 843661330 NNVDPQLYZUIDQY-MWLCHTKSSA-N 280.328 -0.075 50 20 CBGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1 843663003 UVRLMJWOLMCPGZ-GARJFASQSA-N 297.355 -0.183 50 20 CBGD CC(C)(C)C(=O)NNC(=O)Cn1nc2n(c1=O)CCCC2 845211355 JVYCVOPBAUZJGN-UHFFFAOYSA-N 295.343 -0.425 50 20 CBGD O=S(=O)(CCCCCl)NC[C@@H](O)Cn1ccnn1 849399853 QSRNWQXQNQWHTP-SECBINFHSA-N 296.780 -0.423 50 20 CBGD COC(=O)N(C)NC(=O)c1nc2ncc(C)cn2n1 854409920 OFCGTFKGTOODQP-UHFFFAOYSA-N 264.245 -0.224 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@H]2CCCCO2)N1 858279124 RPNYRNHFMAODSK-BDAKNGLRSA-N 284.316 -0.836 50 20 CBGD CC1(C)[C@@H]2CN(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)C[C@H]21 858697897 VFZOJNVHWKYURN-HLTSFMKQSA-N 280.328 -0.406 50 20 CBGD CCCCC[C@H](O)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862458579 BPXBAYNWVCXHJQ-IUCAKERBSA-N 271.317 -0.646 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)c1cn[nH]c1 862469957 WMNXLNHEYKWBFK-ZQARSLAVSA-N 262.269 -0.214 50 20 CBGD CC(C)(C)n1nnc(CC(=O)NNC(=O)c2cn[nH]c2)n1 862470017 XNADKOBSWWJXFE-UHFFFAOYSA-N 292.303 -0.845 50 20 CBGD CCOC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](B(O)O)C2)C1 864232726 BMZFVHUZPXOUBX-WDEREUQCSA-N 298.148 -0.070 50 20 CBGD Cc1cc(F)ncc1C(=O)NNC(=O)C(=O)N1CCCC1 865069887 CGXVIENKOBMBNK-UHFFFAOYSA-N 294.286 -0.087 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@]2(C)CCOC2)n[nH]1 869015298 PDJDWOVYKRVHFL-LBPRGKRZSA-N 266.301 -0.165 50 20 CBGD C[C@@H]1CCCN1S(=O)(=O)NNC(=O)C1CCOCC1 882804958 GPGLZPNCNIESGJ-SECBINFHSA-N 291.373 -0.237 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)nn1 1118228973 VDQQESQQLZPIIG-OPRDCNLKSA-N 293.283 -0.620 50 20 CBGD COCCN(C)NC(=O)CN1CCCCS1(=O)=O 1119269148 RLBTVXMERVPQKB-UHFFFAOYSA-N 279.362 -0.979 50 20 CBGD CN(C)C(=O)CNC(=S)NNC(=O)c1ccncc1 1251188826 SCGDGMZRBOHICZ-UHFFFAOYSA-N 281.341 -0.721 50 20 CBGD COC(=O)C(=O)NN=Cc1cc(C(=O)OC)no1 1261236699 SWTIWCLQVYVEGY-UHFFFAOYSA-N 255.186 -0.916 50 20 CBGD C[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)C(F)(F)F 1318795735 QNBOGCMFJDHMHQ-ZCFIWIBFSA-N 281.234 -0.045 50 20 CBGD COC(=O)C(=O)NNC(=S)NCC(F)(F)F 1318967919 GOJWPQWCIGOBTJ-UHFFFAOYSA-N 259.209 -0.783 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NCc1cc(C(N)=O)no1 1320082486 LWFVVORIRQWXJR-UHFFFAOYSA-N 283.288 -0.350 50 20 CBGD COC(=O)C(=O)NN=Cc1cc(C(=O)OC)c(C)n1C 1321395655 HWPJVKGJKQAAJK-UHFFFAOYSA-N 281.268 -0.257 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)NCCc1cn[nH]c1 1324690513 MLJDGYBHJDOWNA-UHFFFAOYSA-N 288.311 -0.080 50 20 CBGD CS(=O)(=O)C1(C(=O)NNc2cccnn2)CC1 1326812502 TXFILGCIQIUABV-UHFFFAOYSA-N 256.287 -0.503 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(O)n(C)n1 1328343288 SOLJIKLKYGGBMC-RNFRBKRXSA-N 268.273 -0.688 50 20 CBGD O=C(COCC(F)(F)F)N1CC[C@H](B(O)O)C1 1329293621 RRJDEGFPUUGOIS-LURJTMIESA-N 255.001 -0.359 50 20 CBGD C[C@H](N)CNC(=O)C(=O)NC[C@]1(C)C[C@H]1Br 1331385280 BGHTVOGCLBMQKX-PJKMHFRUSA-N 292.177 -0.261 50 20 CBGD CC(C)NC(=S)NNC(=O)C[C@H]1COC(=O)C1 1333396973 ADPGRQCRRYGECU-SSDOTTSWSA-N 259.331 -0.157 50 20 CBGD C[C@H](NNC(=O)CN1C(=O)CNC1=O)C(F)(F)F 1335315241 XXSSMHHDFVYOEM-BYPYZUCNSA-N 268.195 -0.890 50 20 CBGD Cc1nnc(NNC(=O)[C@@H]2CCc3n[nH]cc3C2)nc1O 1335865526 FANYXAVZGGUXPJ-SSDOTTSWSA-N 289.299 -0.143 50 20 CBGD COCCC[C@@H](C)C(=O)NNC(=O)C(=O)NC(C)C 1337365974 RWBGHOSYMSHVSY-SECBINFHSA-N 273.333 -0.279 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@H]2CCCN2)n[nH]1 1579590362 YKGDDQOXEKHODK-VIFPVBQESA-N 251.290 -0.840 50 20 CBGD Cn1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)cn2)n1 1592580702 YZPSIRZZNKORMZ-UHFFFAOYSA-N 285.271 -0.248 50 20 CBGD C[C@@H]1CC(=NNC(=O)NCC(=O)O)c2nccn21 1594197381 RCEKFOJJSWZDGG-ZCFIWIBFSA-N 251.246 -0.064 50 20 CBGD O=C(O)CC[C@@H]1C[C@@H](C(=O)NNC(=O)C2CC2)CO1 1595003586 FLXODXYDAIAJMQ-RKDXNWHRSA-N 270.285 -0.186 50 20 CBGD O=C(O)CCCNC(=S)NNC(=O)N=c1cc[nH]cc1 1601993405 LAMTXGLUMKWFIK-UHFFFAOYSA-N 297.340 -0.131 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)nc1O 1605444418 HFIMMYCBRDPZQE-NKWVEPMBSA-N 281.272 -0.170 50 20 CBGD C[C@@H]1C(=O)NCCN1S(=O)(=O)CBr 127457041 ONTLRIFDHDYRQH-RXMQYKEDSA-N 271.136 -0.511 50 20 CBGD C[C@H](CO)N(C)CC(=O)NNC(=O)c1cccs1 135853977 HPFUOTITNAVHHL-MRVPVSSYSA-N 271.342 -0.178 50 20 CBGD CNC(=O)NNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 139313010 UNKKCLPBFWCOCE-UHFFFAOYSA-N 295.255 -0.715 50 20 CBGD CC(C)CC(=O)NCCC(=O)NNC(=O)N(C)C 162228566 OAGXIEXSRWHAAI-UHFFFAOYSA-N 258.322 -0.159 50 20 CBGD Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NN 192505010 VICRQHJPCQRCPF-JTQLQIEISA-N 264.264 -0.106 50 20 CBGD O=C(Cn1cnnn1)NNc1ccc(C(F)(F)F)nn1 270084437 XYACLPOIRNRHIY-UHFFFAOYSA-N 288.193 -0.375 50 20 CBGD CN(NC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(N)=O 271363700 PVESHUCYNVRQIH-SECBINFHSA-N 263.253 -0.190 50 20 CBGD COC(=O)CCCC(=O)NNC(=O)Cn1nc(C)cc1C 272735190 KWSPEYACRPMVBG-UHFFFAOYSA-N 296.327 -0.009 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cncc(O)c1 283885605 JRQPNQPNGBUXRY-UHFFFAOYSA-N 266.257 -0.526 50 20 CBGD CCNC(=O)CCCC(=O)NNC(=O)[C@@H]1CCCO1 294505836 DCTNHXYDAKJFRP-VIFPVBQESA-N 271.317 -0.381 50 20 CBGD CNC(=O)NNC(=O)CCNC(=O)OCC(F)(F)F 299168396 SMTHWPCGNPRSQW-UHFFFAOYSA-N 286.210 -0.375 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1CC12CCOCC2 365902589 AWBKQOVXFSZPIC-JTQLQIEISA-N 283.328 -0.124 50 20 CBGD CSSCCNC(=O)N1CCO[C@@H](C(N)=O)C1 367555604 WWFVWGPERIFWEN-SSDOTTSWSA-N 279.387 -0.107 50 20 CBGD COC(=O)NNS(=O)(=O)CC1(C(=O)OC)CCCC1 496981761 UXUQSBAJLHHZIU-UHFFFAOYSA-N 294.329 -0.090 50 20 CBGD CCN(CCC#N)C(=O)c1ccc(B(O)O)c(F)c1 584934878 YXEYSEPZOSUPLJ-UHFFFAOYSA-N 264.065 -0.119 50 20 CBGD CC(C)(C)[C@@H](CO)NC(=O)c1ccc(B(O)O)c(F)c1 584972629 CBXYPTVKAKBKIF-LLVKDONJSA-N 283.108 -0.358 50 20 CBGD C[C@@H](C[S@@](C)=O)NC(=O)c1cc(B(O)O)ccc1F 584972730 FSEYXKXMXUKBFB-ZDVLTJLQSA-N 287.121 -0.998 50 20 CBGD CCO[C@H]1COCC[C@H]1NC(=O)c1cccc(B(O)O)c1 584974656 HYGQDHIABYFGHJ-OLZOCXBDSA-N 293.128 -0.710 50 20 CBGD O=C(NC[C@@H]1CC1(F)F)c1ccc(B(O)O)c(F)c1 585000747 OODWPPMMSPBMSD-ZETCQYMHSA-N 273.019 -0.110 50 20 CBGD CCO[C@@]1(C)C[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 585010871 ZEPMWJHAUKCOBL-YPMHNXCESA-N 281.092 -0.197 50 20 CBGD C[C@@H](NCc1cccc(B(O)O)c1)[C@@H](C)N1CCOCC1 585023892 NGQGAOBOIBACRK-CHWSQXEVSA-N 292.188 -0.435 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCCc3c[nH]nc32)o1 585028716 PGDJPABSCVYBJY-JTQLQIEISA-N 261.090 -0.150 50 20 CBGD C[C@@]1(CNCc2ccc(B(O)O)cc2F)CCC(=O)N1 585044629 OLXNENAORFUTGJ-ZDUSSCGKSA-N 280.108 -0.736 50 20 CBGD CO[C@@H]1CCC[C@@H]([C@@H](CO)NCc2ccc(B(O)O)o2)C1 585047515 QLMHFCLYZHAILP-NQBHXWOUSA-N 297.160 -0.385 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc(Br)o1 585059345 KAEFARZXSZHJAH-UHFFFAOYSA-N 283.896 -0.668 50 20 CBGD C[C@H](C(=O)NNC(=O)c1cccc(C#N)c1)S(C)(=O)=O 728825231 OTSIJVKYSCCUCD-MRVPVSSYSA-N 295.320 -0.248 50 20 CBGD CCOC(=O)C1CCN(CC(=O)NNC(=O)C2CC2)CC1 733194058 SGOBIDXJMKGUHF-UHFFFAOYSA-N 297.355 -0.181 50 20 CBGD O=C(CN1CCCC[C@H]1CO)NNC(=O)C1CC1 733194559 ZRRFLBSHLVMYPM-JTQLQIEISA-N 255.318 -0.609 50 20 CBGD COCC(=O)N[C@H](C(=O)NNC(=O)C1CCC1)C(C)C 741220956 WGIPQQIGMHZHBZ-NSHDSACASA-N 285.344 -0.279 50 20 CBGD C#CCOCCC(=O)NNC(=O)COc1ccccc1O 755874609 BNLJVWKPZLBHPU-UHFFFAOYSA-N 292.291 -0.042 50 20 CBGD O=C(NNC1=N[C@H]2C=C[C@H]1C2)C(=O)Nc1ccccn1 758387096 GRHYCPOPKZOUKR-IUCAKERBSA-N 271.280 -0.002 50 20 CBGD C[C@H](O)c1cn(CC(=O)NNC(=O)NC2CCCC2)nn1 763029343 KEQQJGROKHQJLQ-QMMMGPOBSA-N 296.331 -0.396 50 20 CBGD CCOCCC(=O)O[C@@H](C)C(=O)NNC(=O)CC 772086828 DGOJOVUCZHYKQA-QMMMGPOBSA-N 260.290 -0.098 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@]1(C)CCOC1 772314712 IEVNBYRMIWVLQC-PRHODGIISA-N 272.301 -0.098 50 20 CBGD Cc1nn(CCCl)c(C)c1C(=O)NOCC(N)=O 772925206 LDODJDNEDXFVBG-UHFFFAOYSA-N 274.708 -0.115 50 20 CBGD CCC(=O)N1CC[C@@H](C(=O)NNC(=O)NC2CC2)C1 773058561 JAHYJFDZALOAER-MRVPVSSYSA-N 268.317 -0.262 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN(C)C(=O)[C@@H]1C 778259125 AXDJVEXPCWKGHP-QWRGUYRKSA-N 298.387 -0.269 50 20 CBGD Cn1ccnc(NC(=O)NN=c2cc[nH]cc2)c1=O 782061951 MTIRJSRVNDWSFR-UHFFFAOYSA-N 260.257 -0.254 50 20 CBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)N2CCOCC2)CO1 784149018 DBYMRPMUOLTAEB-RKDXNWHRSA-N 257.290 -0.516 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CO[C@H](C)C1 784398811 VELPEOJCXQPULU-SVRRBLITSA-N 252.274 -0.096 50 20 CBGD COC1(C(=O)NNC(=O)N2CCOCC2)CCOCC1 786019054 MVHCHAKEKHZVMM-UHFFFAOYSA-N 287.316 -0.745 50 20 CBGD C/C=C(\CC)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 789743298 GSTBOLSGOAFISF-QZGLAHODSA-N 289.357 -0.140 50 20 CBGD CC(C)(C)n1cc(C=NNC(=O)C(=O)NC2CC2)nn1 790154537 WEXSVHJWMRDCKN-UHFFFAOYSA-N 278.316 -0.238 50 20 CBGD N#Cc1ccncc1C(=O)NNC(=O)N1CCOCC1 805172411 WMLKCGUXFKDBNN-UHFFFAOYSA-N 275.268 -0.360 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1COc2ccccc21 814835695 YQFGFERVALFPAD-MRVPVSSYSA-N 297.336 -0.163 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cccc(C(=O)O)c1 820029736 KLMQWIJYWMNTKB-UHFFFAOYSA-N 293.279 -0.330 50 20 CBGD CN(C)C(=O)NNC(=O)Cc1cccc(-c2nn[nH]n2)c1 821577962 GKRIQJJDXXDTDO-UHFFFAOYSA-N 289.299 -0.288 50 20 CBGD O=C(NNC1=NCC(O)=C1)c1cccc(-c2nn[nH]n2)c1 823269528 IIERZBDAQGCYML-UHFFFAOYSA-N 285.267 -0.045 50 20 CBGD O=C(NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1ccccn1 823277109 FFJNSDJVFWWPDA-UHFFFAOYSA-N 298.266 -0.335 50 20 CBGD CCCN1C[C@H](C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1=O 843662888 VGCAUKPBKCCZES-GMTAPVOTSA-N 297.355 -0.183 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CC1(O)CCC1 843966773 NAEVIMDQCHLFTH-RKDXNWHRSA-N 256.302 -0.136 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)NCC1CC1 843972588 UXUCBWOFSGOWHJ-IONNQARKSA-N 269.301 -0.915 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1ccn(CC)n1 845290191 JYGJISBZGWTHDT-VIFPVBQESA-N 296.327 -0.065 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)n[nH]1 846383488 DAUBXNKQWKXKEH-GMTAPVOTSA-N 278.312 -0.024 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H](OC)c1cnn(C)c1 854921689 WONQWGVBWIIHIK-MRVPVSSYSA-N 271.346 -0.425 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H](NC(C)=O)C(C)C 854928273 QXKSMYSKFUGXEI-MRVPVSSYSA-N 260.363 -0.386 50 20 CBGD CCS(=O)(=O)CC(=O)NNC(=O)c1cccc(F)n1 856425114 ZQMFMEXUHGQFRA-UHFFFAOYSA-N 289.288 -0.584 50 20 CBGD CC(C)CN1N=C(C(=O)NNc2cnnn2C)CCC1=O 857272797 HLYUDKZASHZRNS-UHFFFAOYSA-N 293.331 -0.107 50 20 CBGD CO[C@H](C)[C@@H](C)NC(=O)NNC(=O)c1cn[nH]c1 858468094 BWERHBPPOWPPHO-RNFRBKRXSA-N 255.278 -0.223 50 20 CBGD COc1nccnc1NNC(=O)[C@@H](NC=O)C(C)C 862004352 USILYZWRRQOPOY-QMMMGPOBSA-N 267.289 -0.301 50 20 CBGD C#CCCCC(=O)NN=Cc1cn(C)c(=O)n(C)c1=O 901320765 IVMAHPCPUBRULD-UHFFFAOYSA-N 276.296 -0.662 50 20 CBGD CO[C@]1(C(=O)N2CC[C@H](B(O)O)C2)CCSC1 902552496 NELYGGPSWSLFLF-WCBMZHEXSA-N 259.136 -0.416 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccc(N2CCOCC2)nc1 910175291 MMVTWXPVEMQJDR-LLVKDONJSA-N 294.355 -0.124 50 20 CBGD Cn1c(=NNC(=O)C[C@H](O)CN)sc2ccccc21 911947043 IOGCGPVFWAKMAE-QMMMGPOBSA-N 280.353 -0.119 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(C)(C)C 920299355 BNKXYICKNKNVBQ-ZCFIWIBFSA-N 265.335 -0.882 50 20 CBGD O=C(CC1CC1)NNC(=O)C(=O)Nc1ccccn1 1116262187 RCVGEXBYTRIEAA-UHFFFAOYSA-N 262.269 -0.032 50 20 CBGD Cc1nn(C)c(NC(=O)C(=O)NNC(=O)C2CCC2)c1C 1116623051 APNOOOJPXOLMTC-UHFFFAOYSA-N 293.327 -0.077 50 20 CBGD C[C@@H](Sc1nncn1C)C(=O)NNC(=O)c1cn[nH]c1 1118885019 TZRGPUUABSLXQU-ZCFIWIBFSA-N 295.328 -0.520 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCCNc1ccccn1 1252439187 WIBVFPCHMONDGN-UHFFFAOYSA-N 295.299 -0.613 50 20 CBGD C=CCNC(=S)NNC(=O)c1cccn2c(O)nnc12 1256496506 NOVVSTMOMNCYSI-UHFFFAOYSA-N 292.324 -0.270 50 20 CBGD CC[C@@H]1C[C@H](C(=O)NNC(=O)C(=O)NC(C)C)CCO1 1319940990 WFGINMKPCPJOHU-NXEZZACHSA-N 285.344 -0.136 50 20 CBGD CSCCNC(=S)NNC(=O)CO[C@H]1CCOC1 1319961685 CMBMDDPXHFUYDA-QMMMGPOBSA-N 293.414 -0.350 50 20 CBGD CCc1cc(C(=O)NNC(=O)C(=O)NC2CC2)nn1C 1320837851 CMDAZAAJBRZXTK-UHFFFAOYSA-N 279.300 -0.978 50 20 CBGD Cc1nc(SCCC(=O)NN(C)C(N)=O)n[nH]1 1325006259 MTRHYWQBBJGKTN-UHFFFAOYSA-N 258.307 -0.363 50 20 CBGD C[C@H]1C[C@H](NC(=O)NNC(=O)c2cn[nH]c2)CO1 1328798637 FTBASLSUYLGDCR-XPUUQOCRSA-N 253.262 -0.469 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1=CCOCC1 1332467165 BREFIWHLRGDRQB-PSASIEDQSA-N 254.286 -0.095 50 20 CBGD CN(C)CC(=O)NNC(=O)CCc1ccncn1 1343655628 GJPSLURVIRUQEO-UHFFFAOYSA-N 251.290 -0.882 50 20 CBGD O=C(CN1C(=O)CCC1=O)NNc1ncc(F)cn1 1346897270 HSTZATWINLQVIY-UHFFFAOYSA-N 267.220 -0.792 50 20 CBGD Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)NN 1349458138 PZVZGTSMWUSCCS-UHFFFAOYSA-N 263.301 -0.199 50 20 CBGD CO[C@H]1CCC[C@H]1C(=O)NNC(=O)N1CCN(C)CC1 1353680140 WIIRYVZJORZGTN-MNOVXSKESA-N 284.360 -0.210 50 20 CBGD C[C@@]1(C(=O)NNC(=O)NCC2CC2)C[C@H](N)CCO1 1576349692 GPPWJZUOERNOJZ-SKDRFNHKSA-N 270.333 -0.377 50 20 CBGD C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNC(=O)CCCN 1576759104 PAWDWLOOKCNJOV-QPUJVOFHSA-N 279.344 -0.038 50 20 CBGD COCCOCC(=O)NNC(=O)C1=C2CCN=C2NC=C1 1579055882 INRKIJMYAGLDCU-UHFFFAOYSA-N 294.311 -0.988 50 20 CBGD Cc1c(O)nc2ccccc2c1C(=O)NNC(=O)CN 1579526438 NBLHIDKMHPXCQG-UHFFFAOYSA-N 274.280 -0.031 50 20 CBGD NCCC(=O)NNC(=O)c1nc2cnccc2s1 1580281865 VYCUARLPSQQOGF-UHFFFAOYSA-N 265.298 -0.199 50 20 CBGD O=C(NC1([C@H]2CCNC2)CC1)c1ccc(B(O)O)cc1 1580594042 LDPVWOCBWUCHGR-NSHDSACASA-N 274.129 -0.762 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN[C@H](C(=O)O)C1CC1 1589693653 UFTITFQGTBBTRV-VIFPVBQESA-N 271.317 -0.367 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CC[C@@H]1C[C@H](C(=O)O)CO1 1590882572 GZPPGXQHAYBYQH-JGVFFNPUSA-N 288.300 -0.825 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1 1604618631 YBRIBHOEIMYUAP-DTWKUNHWSA-N 288.300 -0.702 50 20 CBGD C[C@@H]1CN(C)C[C@@H](C(=O)NN=C2CC(C(=O)O)C2)O1 1776092531 QNYLYOLONOSVDF-SHTILUHOSA-N 269.301 -0.328 50 20 CBGD Cn1nnc2cc(C(=O)NNC(=O)c3ccc[nH]3)cnc21 184915686 MLHMQBLCWOJRKF-UHFFFAOYSA-N 285.267 -0.234 50 20 CBGD Cc1ccn(CC(=O)NNC(=O)c2cccn2C)c(=O)c1 194371131 CFMHCPZZZFHJJD-UHFFFAOYSA-N 288.307 -0.044 50 20 CBGD CN(C)CC(=O)NNC(=O)c1nccn2ccnc12 266458582 PUTHNVALLWPZDH-UHFFFAOYSA-N 262.273 -0.948 50 20 CBGD COc1ccccc1NC(=O)C(=O)NNC(=O)CN(C)C 274041775 GHJKNRLQNLSYBK-UHFFFAOYSA-N 294.311 -0.657 50 20 CBGD CC(=O)NCC(=O)NNC(=O)COc1cc(C)cc(C)c1 298269299 HMODOIDKRAJYLG-UHFFFAOYSA-N 293.323 -0.034 50 20 CBGD O=C(NNC(=O)[C@H]1COCCO1)c1ccccc1O 298393018 DKJVUWFOJGRGLI-SNVBAGLBSA-N 266.253 -0.431 50 20 CBGD CC(C)[C@@H](C(=O)NNC(=O)N(C)C)N1CCCC1=O 299665036 NWCAJYAZJMRTCH-JTQLQIEISA-N 270.333 -0.064 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1C[C@@]12CCOC2 364092100 BZAFXSHRINUTJY-BXKDBHETSA-N 271.317 -0.220 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCc3nccn3C2)n[nH]1 364952764 TWTOZLCAALMHAV-SECBINFHSA-N 288.311 -0.062 50 20 CBGD COC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 490539430 BMJCBWPHOIHOHB-UHFFFAOYSA-N 262.229 -0.337 50 20 CBGD Cn1nncc1C(=O)NNC(=O)CNC(=O)OC(C)(C)C 491097854 FMYVXVVTWLWUTI-UHFFFAOYSA-N 298.303 -0.899 50 20 CBGD CN(CC1CC1)C(=O)COc1ccc(B(O)O)cc1 584910342 YZDUAUNRVKGYAL-UHFFFAOYSA-N 263.102 -0.386 50 20 CBGD Cn1nc(C2CC2)nc1COc1ccc(B(O)O)cc1 584910834 UGBVEQSMIHJCLW-UHFFFAOYSA-N 273.101 -0.049 50 20 CBGD CCOCCCNC(=O)c1ccc(B(O)O)cc1 584924267 GXZMIYDQDMNGKV-UHFFFAOYSA-N 251.091 -0.477 50 20 CBGD Cc1c(CCNC(=O)c2ccc(B(O)O)cc2)cnn1C 584961048 WTSVQJPKWKGGJW-UHFFFAOYSA-N 287.128 -0.619 50 20 CBGD C[C@@H](c1cnn(C)c1)N(C)C(=O)c1cccc(B(O)O)c1 584970661 FIUYSHMLQBJFJP-JTQLQIEISA-N 287.128 -0.067 50 20 CBGD C[C@@H](O)C1(NC(=O)c2cc(B(O)O)ccc2F)CC1 585006041 PXPFCSPXAYGXIC-SSDOTTSWSA-N 267.065 -0.851 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@H]2CCC[C@@H]21 585010324 NEPLDEDSDHPNAT-QWHCGFSZSA-N 275.113 -0.240 50 20 CBGD CC(C)NC(=O)C[C@H](C)NCc1ccc(B(O)O)cc1F 585023149 HCQANACOMHCGEX-JTQLQIEISA-N 296.151 -0.102 50 20 CBGD CC(C)N1C[C@@H](NCc2ccc(B(O)O)o2)[C@H](C)C1 585030035 DBCSLYLOWBSALD-ZYHUDNBSSA-N 266.150 -0.222 50 20 CBGD CO[C@@]1(CNCc2cccc(B(O)O)c2)CCOC1 585035968 BFCDKOGCOLZRNE-CYBMUJFWSA-N 265.118 -0.739 50 20 CBGD OCC[C@@H](NCc1ccc(B(O)O)o1)C1CCOCC1 585036515 LZXWOZARGOXDTE-GFCCVEGCSA-N 283.133 -0.773 50 20 CBGD CC(C)[C@H](CO)CNCc1ccccc1B(O)O 585040719 QBCWKNNKGDKBSL-LBPRGKRZSA-N 251.135 -0.280 50 20 CBGD Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCB(O)O)cc1 585059694 XEZCJWLABVMJKX-GFCCVEGCSA-N 290.128 -0.386 50 20 CBGD O=C(NCC(=O)N1CC[C@@H](B(O)O)C1)c1cccc(F)c1 585067274 VTWPMRAEFAPDHT-SNVBAGLBSA-N 294.091 -0.369 50 20 CBGD CCCCCS(=O)(=O)CC(=O)N1CC[C@@H](B(O)O)C1 585068185 ZQVZZHULXROXQL-SNVBAGLBSA-N 291.178 -0.333 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@@H]1CCC(=O)N1 726138632 HLIYTQUAGPLUBP-LURJTMIESA-N 258.347 -0.441 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)NCC2CC2)CC1 729968314 NTYMRQOHKOHTNU-UHFFFAOYSA-N 254.290 -0.747 50 20 CBGD CC(C)[C@H](C(=O)NNC(=O)N1CCOCC1)N(C)C 732064094 WXPNITGDUIIWMJ-SNVBAGLBSA-N 272.349 -0.354 50 20 CBGD COC[C@@H](C)CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 737065592 UHARAYSOHQPIQD-GXSJLCMTSA-N 293.389 -0.350 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C)C1=O 738330642 HVNGLEMUJSDHQD-GHMZBOCLSA-N 298.387 -0.269 50 20 CBGD NC(=O)CCCC(=O)NNC(=O)c1cccnc1 746343993 KAQWKVVMLDQSPM-UHFFFAOYSA-N 250.258 -0.502 50 20 CBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)NCC1CC1 746838947 MUXLCNGWBZZBOL-ZETCQYMHSA-N 277.346 -0.593 50 20 CBGD C[C@@H](CCN(C)C)NC(=O)NNC(=O)C(=O)N1CCCC1 748460434 IRYBEOYBWZMORB-JTQLQIEISA-N 299.375 -0.721 50 20 CBGD CN1CCC[C@H](NC(=O)NNc2cccnn2)C1=O 748664665 MJYCSXBPHUEBPT-QMMMGPOBSA-N 264.289 -0.277 50 20 CBGD COC(=O)c1cc(C=NNC(=O)C(=O)N2CCCC2)c[nH]1 753165320 AWTSQNYOFYROOD-UHFFFAOYSA-N 292.295 -0.126 50 20 CBGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@H]2CCCO2)C[C@@H](C)O1 756746350 VHOKZZFGLJWYKT-IJLUTSLNSA-N 299.371 -0.188 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccncc1N 772230573 HTJAOOAIYFLOEJ-ZETCQYMHSA-N 280.284 -0.234 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccnc(OC(C)C)c1 778706084 LVRBJBQDDQGLFL-UHFFFAOYSA-N 280.284 -0.025 50 20 CBGD CC(C)C(=O)NNC(=O)c1cccc(C(N)=O)n1 781587157 OOKQIGSYEUTLLM-UHFFFAOYSA-N 250.258 -0.403 50 20 CBGD CNC(=O)[C@H](C)NC(=O)NNC(=O)c1ccc(C#N)cc1 814291151 BYOVWDGXRCUPTE-QMMMGPOBSA-N 289.295 -0.363 50 20 CBGD COC(=O)c1ccc(C(=O)NN(C)[C@H](C)CO)nc1 823976469 DOWDLDNPKGKYLI-MRVPVSSYSA-N 267.285 -0.174 50 20 CBGD O=S(=O)(CBr)N1CC(N2CC[C@@H](O)C2)C1 827986592 XKECYWGVVFKXID-MRVPVSSYSA-N 299.190 -0.581 50 20 CBGD Cc1cnn(C)c1C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843663152 XBBHSVMXFDWOPL-IUCAKERBSA-N 266.301 -0.085 50 20 CBGD Cc1nonc1CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 846276852 YFTHOTVZEZRYFY-HTQZYQBOSA-N 268.273 -0.507 50 20 CBGD CSCCNC(=S)NNC(=O)[C@H]1CC[C@@H]1C(N)=O 847644059 KBAJLDOYTXKSHL-BQBZGAKWSA-N 290.414 -0.644 50 20 CBGD O=C(CCOC1CCOCC1)NNC(=O)c1cc[nH]n1 855357455 JYWISRXTQSGUSE-UHFFFAOYSA-N 282.300 -0.244 50 20 CBGD O=C(CN1CCOCC1)NNC(=O)c1cccc(F)n1 856423239 OOORCEWAMBHUIS-UHFFFAOYSA-N 282.275 -0.686 50 20 CBGD CCCn1nccc1C(=O)NNC(=O)CN(C)C 857108391 FHLQODYDFWNKDW-UHFFFAOYSA-N 253.306 -0.384 50 20 CBGD COC1CC(C(=O)NNC(=O)C(=O)NC(C)C)C1 858168039 LMFXBXDCHJRUHO-UHFFFAOYSA-N 257.290 -0.917 50 20 CBGD C[C@H]1N(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCOC1(C)C 858696184 KMQWKIKCPYILOH-BDAKNGLRSA-N 298.343 -0.495 50 20 CBGD CCOC[C@@H]1CN(CC(=O)NNC(=O)C2CC2)CCO1 859772593 RMLPPCFIKDJELH-NSHDSACASA-N 285.344 -0.719 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cc[nH]n1)[C@H]1CCC(=O)N1 862168459 ZOMDJAUYYYAESO-RNFRBKRXSA-N 265.273 -0.915 50 20 CBGD CCc1nc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)cs1 862451570 DXLSVECDKDLWCI-MRVPVSSYSA-N 296.352 -0.326 50 20 CBGD CC(C)n1cnc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862458597 GSSZZQGSMJDTLX-MRVPVSSYSA-N 279.300 -0.496 50 20 CBGD COCC(=NNC(=O)[C@H]1CCC(=O)N1)C1CCOCC1 863152832 HCLJKQRLHQXGFK-SNVBAGLBSA-N 283.328 -0.190 50 20 CBGD CC1(NC(=S)NNC(=O)[C@@H]2CCC(=O)N2)CCC1 863203874 LCSCXEOTQVONFH-ZETCQYMHSA-N 270.358 -0.297 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCO[C@@H]2C[C@H]21 863882121 IOLKDEWIDRCNOD-GHMZBOCLSA-N 265.049 -0.881 50 20 CBGD O=C(CN1C[C@H]2COC[C@H]2C1)NNC(=O)C1CC1 872319206 AHWWMQVRJSLHCW-AOOOYVTPSA-N 253.302 -0.878 50 20 CBGD COC(=O)N(C)NC(=O)NC[C@H]1CCCNC1=O 875664038 CHFMLVUKZUOGBC-SSDOTTSWSA-N 258.278 -0.575 50 20 CBGD CNC(=O)NNC(=O)c1cccn1CCN1CCOCC1 906393798 MACCARCTIYYLMF-UHFFFAOYSA-N 295.343 -0.606 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CCNC(=O)c1ccco1 910181467 TVEUFMWXPUUSBI-SECBINFHSA-N 269.301 -0.257 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cc2n(n1)CCCC2=O 910183611 NCFSYZAWVGWXSP-QMMMGPOBSA-N 266.301 -0.183 50 20 CBGD CC(C)N1CCC[C@H]1C(=O)NNC(=O)N1CCOCC1 931114379 QPVFLENUUIRKOY-NSHDSACASA-N 284.360 -0.068 50 20 CBGD COC[C@@H]1COCCN1CC(=O)NNC(=O)C(C)C 933332340 RYOIBKLHVJWOOJ-SNVBAGLBSA-N 273.333 -0.863 50 20 CBGD COc1cc(C(=O)NNC(=O)N2CCN(C)CC2)ncn1 935860269 MAWXSFAAOHKPKW-UHFFFAOYSA-N 294.315 -0.913 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1c(N)noc1C 1117657597 AREITHAJVBQTQQ-UHFFFAOYSA-N 277.306 -0.580 50 20 CBGD CN(NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)C1CC1 1118099891 PBZWIIYTQPOXAP-UHFFFAOYSA-N 262.273 -0.803 50 20 CBGD CN1C(=O)CS/C1=C/C(=O)NNc1ccn(C)n1 1119470324 ZYQNQJRBYKUTKF-BJMVGYQFSA-N 267.314 -0.090 50 20 CBGD CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)N1CCOCC1 1120683260 FEZBFLWCWYCXAO-VHSXEESVSA-N 271.317 -0.126 50 20 CBGD O=C(NNC(=O)c1cc(F)c(O)c(F)c1)C(=O)NC1CC1 1254876363 AWPXXQCAFWYTKW-UHFFFAOYSA-N 299.233 -0.290 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H]1CCOC1 1261451958 OKDHUGKXBGUGTI-IVZWLZJFSA-N 271.317 -0.222 50 20 CBGD C#CCCCCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1319777557 WSWWMNYJBUAPCG-JTQLQIEISA-N 286.353 -0.238 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCCCC(F)F)N1 1334345659 UHPALPYGKUURMG-ZCFIWIBFSA-N 278.259 -0.359 50 20 CBGD COCC#CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1334407438 DAJPPKAUVGUAQZ-SNVBAGLBSA-N 274.342 -0.872 50 20 CBGD CN(C)[C@H](C(=O)NNc1ccncn1)c1cncn1C 1334804389 ZXVZUFQFXZDREJ-NSHDSACASA-N 275.316 -0.044 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H](C)CS(C)(=O)=O 1334998722 UWWNYOYKGGWQNZ-YUMQZZPRSA-N 252.336 -0.989 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cc2n(n1)C[C@H](C)NC2 1341720173 WWFVJEKYDWSREC-QMMMGPOBSA-N 280.332 -0.319 50 20 CBGD C[C@]1(CNC(=O)C2(O)CNC2)C[C@H]1Br 1347938607 CJEPSWSTDNTUJT-HTRCEHHLSA-N 263.135 -0.390 50 20 CBGD O=C(NC[C@@H]1CCOC1)NNC(=O)[C@H]1CCCCO1 1348402784 AOJVMXYLBDIORW-VHSXEESVSA-N 271.317 -0.078 50 20 CBGD O=C(C[C@H]1CCOC1)NNC(=O)c1cccnn1 1349767352 QCLCATWMIDFAOF-MRVPVSSYSA-N 250.258 -0.336 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cn(CC2(C)COC2)nn1 1350777950 GBZPVYYMLPUYAK-VIFPVBQESA-N 283.332 -0.728 50 20 CBGD CC(Cn1cncn1)=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1 1549318035 ZVOUDJGZIOIFPU-VXGBXAGGSA-N 292.343 -0.367 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCNC1)c1ccnc(CO)c1 1580733150 NGCUOUUGGREZJN-SNVBAGLBSA-N 278.312 -0.666 50 20 CBGD O=C(NNC(=O)c1ccon1)c1ccc(-c2nn[nH]n2)cc1 1593159723 XGQNJDSQGAOFLO-UHFFFAOYSA-N 299.250 -0.071 50 20 CBGD Cc1nnc(NNC(=O)c2cccc(C(=O)O)n2)n1C 1600798503 LMZCYTWYXMGIPW-UHFFFAOYSA-N 276.256 -0.026 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccc(C(=O)O)o2)nn1 1600931742 DQHMYCMIVOSSGM-UHFFFAOYSA-N 279.212 -0.819 50 20 CBGD C[C@H](C(=O)O)N(CC(=O)NNC(=O)C1CC1)C1CC1 1609708291 AMNBFARQJSKLOG-SSDOTTSWSA-N 269.301 -0.519 50 20 CBGD O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)C(O)O)C1 1841235507 YFOKGKMDCBVIPN-ZCFIWIBFSA-N 280.683 -0.965 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cocn2)n1 264278443 NCUMGMQSULDCQV-UHFFFAOYSA-N 263.257 -0.051 50 20 CBGD CN(NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)C(N)=O 272225253 UTNDMVYNJGCCHI-UHFFFAOYSA-N 297.315 -0.717 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)Cc1ccccc1OC 292563537 FJRAKPQDNCOIAY-UHFFFAOYSA-N 294.311 -0.686 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cccc(=O)n2C)O1 294062713 ZZBBQFRBCUAKQB-WPRPVWTQSA-N 279.296 -0.286 50 20 CBGD O=C(CC1CC1)NNC(=O)C[C@H]1CCCC(=O)N1 294125309 KRMJUGVJYSZXEL-SECBINFHSA-N 253.302 -0.007 50 20 CBGD COC(=O)NNC(=O)CNC(=O)c1ccccc1OC 298290929 DKRWWSXNTCYORA-UHFFFAOYSA-N 281.268 -0.188 50 20 CBGD CCN1CCO[C@@H](C(=O)NNc2cccnn2)C1 363752941 MTZDDHFRYJYQEC-SECBINFHSA-N 251.290 -0.360 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1CCCc2nn(C)cc21 369185512 VUSGZMSWMDYJQQ-VIFPVBQESA-N 279.344 -0.451 50 20 CBGD N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H](CO)C(N)=O 490944092 VJFYJUGJNHFJQD-GWZUUTHWSA-N 277.255 -0.305 50 20 CBGD COC(=O)N(C)CCCC(=O)NNc1nnc(C)c(O)n1 491224110 AMUHPFKIFPLWAL-UHFFFAOYSA-N 298.303 -0.193 50 20 CBGD COCC[C@H](C)NC(=O)c1cc(B(O)O)ccc1F 584937259 QXAQXMQIDIZDNA-QMMMGPOBSA-N 269.081 -0.340 50 20 CBGD C[C@@H]1CC[C@@H](O)CN1C(=O)c1cc(B(O)O)ccc1F 584986148 UZVGRIURBOSZLW-PSASIEDQSA-N 281.092 -0.509 50 20 CBGD C[C@H](O)C1(NC(=O)c2ccc(B(O)O)c(F)c2)CC1 585005340 FGJZNTVXTJAYTG-ZETCQYMHSA-N 267.065 -0.851 50 20 CBGD C[C@H](CN1CCCC1=O)NCc1ccccc1B(O)O 585018049 GASVACNZEWOYKT-LLVKDONJSA-N 276.145 -0.533 50 20 CBGD COCCN1CC[C@H](CNCc2ccc(B(O)O)o2)C1 585020559 AZTSZIGHCHQVMZ-LLVKDONJSA-N 282.149 -0.983 50 20 CBGD C[C@H](NCc1cccc(B(O)O)c1)[C@@H](C)N1CCOCC1 585023894 NGQGAOBOIBACRK-QWHCGFSZSA-N 292.188 -0.435 50 20 CBGD Cc1noc([C@@H](C)NCc2ccccc2B(O)O)n1 585038230 WXWUFXMSEDIMFW-MRVPVSSYSA-N 261.090 -0.091 50 20 CBGD Cc1cc(CNCc2ccc(B(O)O)o2)nc(N(C)C)n1 585038279 YRRQRNLVYMMVHV-UHFFFAOYSA-N 290.132 -0.586 50 20 CBGD O=S(=O)(c1ccc2c(c1)COC2)N1CC[C@@H](B(O)O)C1 585058375 YVMVNOAJXDWPMC-LLVKDONJSA-N 297.141 -0.046 50 20 CBGD O=C(NCB(O)O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 585062140 QLHVZYOQSCOSIP-GFCCVEGCSA-N 290.128 -0.333 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(C(=O)N(C)C)CC1 731847963 AKYJOMIGNWURSW-SNVBAGLBSA-N 299.375 -0.769 50 20 CBGD C=CCOCC(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 732262025 QSXANOTYKOJYEW-VXGBXAGGSA-N 299.371 -0.164 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cccc2c1OCO2 733359295 KRRNQZXBPGQZHN-UHFFFAOYSA-N 265.269 -0.262 50 20 CBGD CCCCOCC(=O)NNC(=O)C(=O)NC1CC1 735650643 XEUNHFWREXGBDY-UHFFFAOYSA-N 257.290 -0.771 50 20 CBGD CCC[C@](C)(NCC(=O)NNC(=O)C1CC1)C(=O)O 736962428 FRMGGMDCJVDBKY-LBPRGKRZSA-N 271.317 -0.223 50 20 CBGD CC(=O)N1CCC[C@H](C(=O)NNC(=O)N2CCOCC2)C1 745991670 CAIGQQSRUVZFKQ-NSHDSACASA-N 298.343 -0.682 50 20 CBGD CN(C)C(=O)NNC(=O)Cn1c(=O)cnc2ccccc21 746008228 IWQPITHWCVTWCE-UHFFFAOYSA-N 289.295 -0.301 50 20 CBGD C=C(C)CNC(=S)NNC(=O)C(=O)N1CCCC1 748157292 KYULMAVLQPBJJM-UHFFFAOYSA-N 270.358 -0.320 50 20 CBGD CC(C)CC(=O)NNC(=O)N[C@H]1CCCN(C)C1=O 748663586 OEEKNYGMKSCYAB-VIFPVBQESA-N 270.333 -0.016 50 20 CBGD Cn1cc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)nn1 755569578 JBGPMRQWOOMIDM-UHFFFAOYSA-N 297.282 -0.445 50 20 CBGD CC(C)CCn1ccc(NC(=O)C(=O)NNC(=O)CO)n1 764420201 AQZABGCYSRXWBV-UHFFFAOYSA-N 297.315 -0.993 50 20 CBGD Cc1cc(C(=O)NNC(=O)/C=C\c2cnn(C)c2)n[nH]1 765583822 QEQXQJIZMROTEW-ARJAWSKDSA-N 274.284 -0.074 50 20 CBGD CCOCCC(=O)NNC(=O)N1CCN(C)CC1 788167127 VOSVJEDHVPUBQN-UHFFFAOYSA-N 258.322 -0.599 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1csc(N)n1 788972135 WWZIAXGDPICPGJ-YFKPBYRVSA-N 286.313 -0.172 50 20 CBGD CC[C@H](C)[C@H](OC)C(=O)NNC(=O)C(=O)NC1CC1 792852804 HUPQKVUSEUQXCB-CBAPKCEASA-N 271.317 -0.527 50 20 CBGD CC1CCN(C(=O)C(=O)NNc2nccn(C)c2=O)CC1 802553609 FAPRAGBJVNZYLU-UHFFFAOYSA-N 293.327 -0.518 50 20 CBGD Cn1cc(C(=O)NNC(=O)CNc2ccccc2)nn1 809567203 WYADJOPRWARGSA-UHFFFAOYSA-N 274.284 -0.312 50 20 CBGD Cc1c(C(=O)NNC(=O)C2CC2)nnn1-c1ccn(C)n1 814363293 PTDNHBAVPSDHJF-UHFFFAOYSA-N 289.299 -0.520 50 20 CBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)CC1CC1 819114657 PFZQUBCESZQFDO-UHFFFAOYSA-N 291.373 -0.347 50 20 CBGD CCCN1C[C@H](C(=O)NNC(=O)[C@@H]2CCCCO2)CC1=O 839780789 FIRMJTGPACRHDT-MNOVXSKESA-N 297.355 -0.039 50 20 CBGD Cc1c(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cnn1C 843661913 QURVNWSBPJKOMT-ONGXEEELSA-N 280.328 -0.157 50 20 CBGD C=CCCn1cc(C(=O)NN(C)C(=S)NC)nn1 854927941 UUFRVYGHWZJCQR-UHFFFAOYSA-N 268.346 -0.065 50 20 CBGD C[C@H](NC(=S)NNC(=O)C[C@H]1CCC(=O)N1)C1CC1 855101324 UWRNFESRMUCUCW-IONNQARKSA-N 284.385 -0.051 50 20 CBGD CN(C)c1nccc(NNC(=O)C2(n3cnnn3)CC2)n1 857132475 HSVYXDUDQHHGFA-UHFFFAOYSA-N 289.303 -0.839 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2cccc(F)c2)N1 858136750 RAVNVYYIVPLRCY-JTQLQIEISA-N 294.286 -0.065 50 20 CBGD C[C@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC(C)(C)O1 858696356 JOFMLKALRJXBGD-IUCAKERBSA-N 298.343 -0.495 50 20 CBGD COc1nccnc1NNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 862004093 QHWWSWSUYJIWQE-JGVFFNPUSA-N 279.300 -0.157 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H](F)Cc2ccccc2)N1 862459951 BXWZPXQKSXAAOV-QWRGUYRKSA-N 293.298 -0.007 50 20 CBGD CCOC(=O)[C@@H](CC)C(=O)NNC(=O)c1cn[nH]c1 862469476 LGMFRRBCPIRNKX-QMMMGPOBSA-N 268.273 -0.240 50 20 CBGD C[C@@H](OCC1CC1)C(=O)NNC(=O)c1cn[nH]c1 862473822 AWLYEZWICOMXAC-SSDOTTSWSA-N 252.274 -0.014 50 20 CBGD CON1CCC(NCc2cccc(B(O)O)c2)CC1 863889990 LOCIEETYYSVAEV-UHFFFAOYSA-N 264.134 -0.518 50 20 CBGD CCOC(=O)CN(C)C(=O)c1cccc(B(O)O)c1 865027463 QUZHVIAIILFTPZ-UHFFFAOYSA-N 265.074 -0.999 50 20 CBGD CC[C@H](NC(C)=O)C(=O)NNC(=O)[C@H]1CCCCO1 868619739 RVPDKIQXLYKMKS-VHSXEESVSA-N 271.317 -0.382 50 20 CBGD COCCOCC(=O)NNC(=O)Cc1ccccc1CO 869907951 VAXDBQQALUYXAH-UHFFFAOYSA-N 296.323 -0.468 50 20 CBGD CCO[C@@H](CC)C(=O)NNC(=O)COCCOC 869909046 GWFXEAYORXQQCQ-VIFPVBQESA-N 262.306 -0.388 50 20 CBGD C[C@]1(C(=O)NNC(=O)c2ccccc2)CCNC1=O 873731060 KSRDCDXWKNDKMK-ZDUSSCGKSA-N 261.281 -0.026 50 20 CBGD Cc1n[nH]cc1CCCNC(=O)c1ccc(B(O)O)cc1 873993548 VPJSZOURBBCZSI-UHFFFAOYSA-N 287.128 -0.239 50 20 CBGD COC(=O)CCCC(=O)NNC(=O)N1CCOCC1 874248022 DVHYUZQTYJUVQF-UHFFFAOYSA-N 273.289 -0.597 50 20 CBGD C[C@H](C(=O)NNc1nccc(N2CCOCC2)n1)N(C)C 879172687 NYKOQROOAPLTDU-SNVBAGLBSA-N 294.359 -0.294 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@H]1[C@@H]2CCC(=O)[C@@H]12 906449360 BWPLWWNAXJDREQ-JEZHCXPESA-N 267.285 -0.716 50 20 CBGD CC(C)N1CCN(CCC(=O)NN(C)C[C@@H](C)O)CC1 910151191 ZPKNJXDMGRXOMK-CYBMUJFWSA-N 286.420 -0.254 50 20 CBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)NC1CC1 930719886 HICQMNWCIAWYRZ-HTQZYQBOSA-N 255.274 -0.322 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)C(=O)NC1CC1 1116187554 KPCPSHGPMWWJBA-UHFFFAOYSA-N 262.269 -0.950 50 20 CBGD C[C@@H](NC(=O)NNC(=O)c1ccc[nH]1)C(=O)N(C)C 1116235774 YDPUNIZEBMUSTO-SSDOTTSWSA-N 267.289 -0.565 50 20 CBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1nncc(N)c1Cl 1118372924 AAZRMDWXFRHITR-UHNVWZDZSA-N 284.707 -0.333 50 20 CBGD CNC[C@H](C)NC(=O)NNc1nncc(N)c1Cl 1118549039 UXLMXESTIIZWKL-YFKPBYRVSA-N 273.728 -0.054 50 20 CBGD C[C@@H]1[C@@H](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1(F)F 1123580179 DMYSHRHFDILTBA-QYNIQEEDSA-N 296.295 -0.530 50 20 CBGD CN(C)C(=O)Cn1cc(C(=O)NNc2ccccn2)nn1 1319869664 GGMXFQZZUCGZAQ-UHFFFAOYSA-N 289.299 -0.482 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H](CC(C)C)OC 1325361278 FUGJHLLOBLDRJA-MRVPVSSYSA-N 275.305 -0.449 50 20 CBGD COCn1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1 1328342803 PJTDXIPDGDSWJM-IUCAKERBSA-N 282.300 -0.327 50 20 CBGD COc1ncc(C(=O)N2CC[C@@H](B(O)O)C2)cn1 1329216198 UPESHBYZACFVRX-MRVPVSSYSA-N 251.051 -0.826 50 20 CBGD CCNC(=O)CCCC(=O)N1CC[C@H](B(O)O)C1 1329670630 CBMAFJUDCUANME-VIFPVBQESA-N 256.111 -0.632 50 20 CBGD C[C@H](CO)N(C)NC(=O)Cc1nc2ncccn2n1 1329863163 WOUOCHBXDXSGTG-MRVPVSSYSA-N 264.289 -0.989 50 20 CBGD Cc1[nH]c(C=O)cc1C(=O)N1CC[C@@H](B(O)O)C1 1332529444 WUIHLIIWJCDGPS-MRVPVSSYSA-N 250.063 -0.175 50 20 CBGD COc1nn(C)cc1C(=O)NNc1ccn(C)n1 1335133058 CVLPUVSCTUNJKI-UHFFFAOYSA-N 250.262 -0.081 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1c(C)noc1CC 1337975118 UESKBGBPWGTFOW-UHFFFAOYSA-N 298.299 -0.332 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C(C)(C)C)c1nnnn1C 1341268236 CAARTMXNANMQDD-ZCFIWIBFSA-N 269.309 -0.352 50 20 CBGD C#CCCCC(=O)NNC(=O)COCc1nncn1C 1342593844 XPDNEJJAYCNWSK-UHFFFAOYSA-N 279.300 -0.717 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)NCCc1cn[nH]c1 1343599272 NTXDEORGDBJDFB-UHFFFAOYSA-N 288.311 -0.080 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC[C@@H]3OCC[C@@H]3C2)N1 1348122882 NHIZEDOOVKKDIR-BBBLOLIVSA-N 296.327 -0.883 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1C[C@@H]1F 1521074417 URIAJUUOODYGCZ-YUMQZZPRSA-N 259.281 -0.203 50 20 CBGD C[C@H](CC(N)=O)C(=O)NNc1cccc(-c2nn[nH]n2)c1 1589800435 MKMNOHZOKIYUKD-SSDOTTSWSA-N 289.299 -0.179 50 20 CBGD Cc1nnc(NNC(=O)[C@H](C(=O)O)C(C)C)nc1O 1594492811 LVIAMISOFFFWJC-ZCFIWIBFSA-N 269.261 -0.314 50 20 CBGD COc1cc(CCNC(=O)NNC(=O)C(=O)O)ccn1 1599404210 JWJVDKRYMBAOJP-UHFFFAOYSA-N 282.256 -0.952 50 20 CBGD CNC(=S)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1604891431 AQDBMZDQCBEHGI-UHFFFAOYSA-N 277.313 -0.395 50 20 CBGD O=C(Cc1ccccn1)NNC(=O)[C@H]1CC[C@H]1C(=O)O 1608368194 IDLVXAADQUXCSY-VHSXEESVSA-N 277.280 -0.118 50 20 CBGD Cc1nn(CCCl)c(C)c1C(=O)N[C@H](CO)C(=O)O 1610573102 UFSRUVQHOCVZOD-MRVPVSSYSA-N 289.719 -0.086 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(C#N)cc1 8390015 MHQHPQXXBLGAJE-UHFFFAOYSA-N 274.280 -0.156 50 20 CBGD Cc1noc(C)c1CC(=O)NNC(=O)C(=O)NC1CC1 10213866 GNNFHMCUPXGZJA-UHFFFAOYSA-N 280.284 -0.740 50 20 CBGD COCCCNC(=O)NNC(=O)c1cnns1 49167278 FXAJJDFCPMJXIW-UHFFFAOYSA-N 259.291 -0.481 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1ccc(C(=O)O)cc1 64940154 YKNRNPYZSMULRR-UHFFFAOYSA-N 287.297 -0.103 50 20 CBGD CCN(CC)CC(=O)NNC(=O)C(=O)N1CCCC1 132180787 VJCJHMHMDXAETI-UHFFFAOYSA-N 270.333 -0.902 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1cnn(CC(F)F)c1 156098437 HVTMUCGAWLRVPP-UHFFFAOYSA-N 290.274 -0.138 50 20 CBGD O=C(NNc1nccnc1Cl)[C@@H]1COCCO1 172287384 JHHVYXUEZWKBLW-LURJTMIESA-N 258.665 -0.012 50 20 CBGD CCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)NC 263875022 JUKIQODCQZVFFL-ZETCQYMHSA-N 274.346 -0.352 50 20 CBGD CCOC(=O)NCCC(=O)NNc1ncnc2nc[nH]c12 266460844 LVPMPNHIJPSOLJ-UHFFFAOYSA-N 293.287 -0.068 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)c1ccc(C)o1 267744970 BGTJKRRIGWRQMF-UHFFFAOYSA-N 253.258 -0.173 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cncnc2)n1 273938779 LHLKQZMNXAMCHE-UHFFFAOYSA-N 274.284 -0.249 50 20 CBGD CC(=O)NNS(=O)(=O)c1cc(C(=O)O)oc1C 274177163 IIAMVTUYXXHPFC-UHFFFAOYSA-N 262.243 -0.384 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)C(C)(C)O)cn1 276171499 BHXAXTMLRKLKOP-UHFFFAOYSA-N 281.268 -0.600 50 20 CBGD CCO/C=C(\C#N)C(=O)NC[C@H](C)S(C)(=O)=O 490754642 REYLJNNTRJLUMP-INTFFVIUSA-N 260.315 -0.020 50 20 CBGD CC(=O)N1CCC(NC(=O)c2cccc(B(O)O)c2)CC1 584926024 XGKCJCGWFAHUIK-UHFFFAOYSA-N 290.128 -0.893 50 20 CBGD CN(C[C@H]1CCC[C@H]1O)C(=O)c1ccc(B(O)O)cc1 584967626 YMUVECQPPVVPRX-DGCLKSJQSA-N 277.129 -0.401 50 20 CBGD O=C(NCC1CSC1)c1ccc(B(O)O)c(F)c1 584996319 FBNJHYWBEMXJCB-UHFFFAOYSA-N 269.106 -0.402 50 20 CBGD O=C(NCCC1(CO)CC1)c1cccc(B(O)O)c1 584996355 GCYABOFXOWGZNO-UHFFFAOYSA-N 263.102 -0.741 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1)[C@H](C)N1CCOCC1 585024049 PSDRTQNPVUBMHH-STQMWFEESA-N 292.188 -0.435 50 20 CBGD CCN1C[C@@H](NCc2ccc(B(O)O)cc2F)CC1=O 585043970 WGKSLSRYSUQTTR-NSHDSACASA-N 280.108 -0.784 50 20 CBGD NC(=O)c1ccc(N2CC[C@H](B(O)O)C2)c([N+](=O)[O-])c1 585073044 HRRXHLGFMFPFEG-QMMMGPOBSA-N 279.061 -0.253 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ncc[nH]1 731151442 OYOUCWPMMSVQSC-JTQLQIEISA-N 265.317 -0.172 50 20 CBGD NC(=O)c1cc(C(=O)NNC(=O)C2CCC2)c[nH]1 732140504 AOUIMEHZXGNRTN-UHFFFAOYSA-N 250.258 -0.325 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)C)CC(=O)N1CCCC1 744385365 YOPXYCJBHHXGIU-UHFFFAOYSA-N 298.387 -0.266 50 20 CBGD CC(C)NC(=O)NNC(=O)CS(=O)(=O)C(C)C 745136036 QGGBOCKHTICJFF-UHFFFAOYSA-N 265.335 -0.452 50 20 CBGD CN(C)CCC(=O)NNC(=S)NC[C@@H]1CCOC1 749637514 AHUNMNYFRJYLSY-VIFPVBQESA-N 274.390 -0.530 50 20 CBGD COCCOCCS(=O)(=O)NNC(=O)C(C)C 754744929 NIYVLKMOGALHEJ-UHFFFAOYSA-N 268.335 -0.744 50 20 CBGD O=C(NNc1cccnn1)[C@@H]1CCCCS1(=O)=O 773912948 KQBKQXQPHUAMDG-QMMMGPOBSA-N 270.314 -0.113 50 20 CBGD COc1ccnc(NNC(=O)C2(S(C)(=O)=O)CC2)n1 792053086 SGYWOLWZWLISFK-UHFFFAOYSA-N 286.313 -0.495 50 20 CBGD C[C@@H]1CCC(=NNC(=O)C(N)=O)[C@@H](n2cncn2)C1 794460471 SQDKWROJIOHZSK-APPZFPTMSA-N 264.289 -0.403 50 20 CBGD COc1ccc(S(=O)(=O)NNC(=O)N(C)C)cn1 795305527 HBPLOAIOEFFZNW-UHFFFAOYSA-N 274.302 -0.445 50 20 CBGD CCCN(CC(N)=O)CC(=O)NNC(=O)C(C)(C)C 795526750 PCYYIOYLKZMYDY-UHFFFAOYSA-N 272.349 -0.623 50 20 CBGD CCc1cc(NC(=O)C(=O)NNC(=O)CO)ccc1F 806980411 PFVGGOZSRSAJEC-UHFFFAOYSA-N 283.259 -0.534 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cnn2c1OCCC2 815506045 ISXUBQOEJJRMTF-UHFFFAOYSA-N 290.283 -0.228 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CCCS(=O)(=O)C1 816824225 SDXPBGKPFZJETD-SECBINFHSA-N 299.352 -0.389 50 20 CBGD CCN(CCO)NC(=O)c1cnc2cc(C)ccn2c1=O 823846275 HBKUUAKXKUPBTC-UHFFFAOYSA-N 290.323 -0.038 50 20 CBGD COc1ncnc(OC)c1C(=O)NN(C)[C@@H](C)CO 823959534 KOHCSJRLDUMRHN-ZETCQYMHSA-N 270.289 -0.549 50 20 CBGD CC1=NO[C@@H](C(=O)NNC(=O)Cc2cc[nH]n2)C1 826667851 SGBRFEGPCRTXEH-MRVPVSSYSA-N 251.246 -0.736 50 20 CBGD COc1ccccc1C(=O)NNC(=O)C[C@H]1CC(=O)N1 827005748 JXTOXDFWDAECTQ-MRVPVSSYSA-N 277.280 -0.265 50 20 CBGD CN1C(=O)CC[C@H]1CC(=O)NNC(=O)C1CCC1 827216297 PKQRKQMTBGMCOZ-VIFPVBQESA-N 253.302 -0.055 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1CO[C@H](C)C1 828427844 QOINILMIFBGPAU-OPRDCNLKSA-N 289.332 -0.454 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@](F)(C(=O)O)C1 828570624 OZQHJCBKHGNAJN-HQJQHLMTSA-N 275.280 -0.569 50 20 CBGD CC[C@H](CS(=O)(=O)NNC(=O)[C@@H]1CCO[C@H]1C)OC 842589745 LABKCIPNOJZUEF-IVZWLZJFSA-N 294.373 -0.213 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCN1CCCC1=O 843649126 UAPOLKCVHXDNTP-UWVGGRQHSA-N 283.328 -0.429 50 20 CBGD O=C(NN=c1cc[nH]cc1Cl)[C@@H]1CCS(=O)(=O)N1 845948490 WBEAMRRGKVNLLT-QMMMGPOBSA-N 290.732 -0.708 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CC[C@@H]1C(N)=O 847285594 OVKPMBINKVARSL-NKWVEPMBSA-N 256.331 -0.821 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@@H]1CC[C@@H]1C(N)=O 847478176 TXXVQLAXJPWDQV-DTWKUNHWSA-N 291.307 -0.032 50 20 CBGD C[C@H](CNC(=O)NNC(=O)[C@H]1CCCO1)C(=O)O 848583257 ARDJDULEEBHPJH-RNFRBKRXSA-N 259.262 -0.784 50 20 CBGD C[C@@H]1CN(S(=O)(=O)CBr)CCN1 850581345 CYMLQFSPNQJWRA-ZCFIWIBFSA-N 257.153 -0.038 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(N)c(C)c1 850814747 MDFQHPQYWUVLJZ-UHFFFAOYSA-N 294.311 -0.300 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCc2nn[nH]c21)[C@@H]1CCCCO1 854682487 BTFPCOMUKOSVNG-SCZZXKLOSA-N 293.327 -0.059 50 20 CBGD CN1C(=O)CC[C@@H]1CC(=O)NNC(=O)c1ncccn1 854953533 UZFMYXFAYFEOGL-MRVPVSSYSA-N 277.284 -0.752 50 20 CBGD CNC(=O)C1(C(=O)NNC(=S)N[C@H](C)C2CC2)CC1 855100826 JNBCDPVDYJUYOW-SSDOTTSWSA-N 284.385 -0.194 50 20 CBGD Cc1cnc(COCC(=O)NNC(=O)c2cc[nH]n2)o1 855355635 CHPWDKTUQOQQST-UHFFFAOYSA-N 279.256 -0.316 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)OCC(F)(F)F)CC1 856023346 GFPOQZSWARBDMF-UHFFFAOYSA-N 283.206 -0.168 50 20 CBGD COCCOCC(=O)NNC(=O)c1cccc(F)n1 856424423 LHYBGJITXVMOIL-UHFFFAOYSA-N 271.248 -0.355 50 20 CBGD C#C[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)[C@H]1CCCO1 858369834 KDXXZFMARLWVJU-NXEZZACHSA-N 277.284 -0.466 50 20 CBGD CC(C)(C)OC(=O)CCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862459595 WLAXUVKNDSZPNG-MRVPVSSYSA-N 299.327 -0.466 50 20 CBGD CCn1cc(CC(=O)NNC(=O)c2cn[nH]c2)cn1 862471216 VRMFSXCSIRNXIR-UHFFFAOYSA-N 262.273 -0.370 50 20 CBGD C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)CS(C)(=O)=O 863463903 YJOQUJWBWSGSJX-DTORHVGOSA-N 291.373 -0.949 50 20 CBGD COc1nc(N)nc(N2CCCC2)c1C=NNC(N)=O 863950686 HTOXODDQWMXTHP-UHFFFAOYSA-N 279.304 -0.330 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21 906417532 LWGSSTUEMAQEHP-UJNFCWOMSA-N 251.286 -0.048 50 20 CBGD CCNC(=O)N(C)NC(=O)CCN1C(=O)C(C)=C(C)C1=O 907253576 WCHVMCXDZRYWOW-UHFFFAOYSA-N 296.327 -0.226 50 20 CBGD Cc1nn(C)cc1C(=O)NNC(=O)C(=O)N1CCCC1 1116053566 OWAYMGTZNQXKND-UHFFFAOYSA-N 279.300 -0.888 50 20 CBGD O=C(NC[C@H]1CCCS(=O)(=O)C1)NNc1cccnn1 1117316944 FZOBNBGRLCFOHJ-SECBINFHSA-N 299.356 -0.073 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)n1cccc1 1118971158 UUWATJGTAAQGPW-RKDXNWHRSA-N 264.285 -0.525 50 20 CBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)c1ccccc1 1263699336 MIIWDRZLCVMEAN-AAEUAGOBSA-N 288.351 -0.164 50 20 CBGD CC(C)C(=O)NNC(=O)CNS(=O)(=O)c1ccccc1 1317699990 BIBUNXMRFPLUMP-UHFFFAOYSA-N 299.352 -0.232 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)C2CCC2)cn1 1318694805 QJRAOQAPTYVLTK-UHFFFAOYSA-N 262.269 -0.258 50 20 CBGD CCCOCC(=O)NNC(=O)C(=O)Nc1ccccn1 1319097267 BKBFZQKDLQVPBU-UHFFFAOYSA-N 280.284 -0.406 50 20 CBGD Cc1nnsc1C=NNC(=O)CN1CCCC1=O 1324161677 HGBXWUBAZIPMOB-UHFFFAOYSA-N 267.314 -0.081 50 20 CBGD Cn1ccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)n1 1324253941 OICKMOLJZKMQAD-QMMMGPOBSA-N 270.314 -0.695 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CCn2ccnc2C1 1328416786 JLRUOQVMTALILH-QMMMGPOBSA-N 267.358 -0.087 50 20 CBGD Cc1[nH]c(C=O)cc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329077779 HUSDCKVHJYLYSO-VIFPVBQESA-N 278.268 -0.825 50 20 CBGD CCN(CCO)NC(=O)c1c(O)nnc(C)c1C 1329861165 FNAUQKOIJOBVLA-UHFFFAOYSA-N 254.290 -0.242 50 20 CBGD COCCn1cc(C=NNC(=O)CS(C)(=O)=O)cn1 1330143140 QBHJXBORLIKLAC-UHFFFAOYSA-N 288.329 -0.976 50 20 CBGD CCOCCn1cc(C(=O)NNc2nc[nH]n2)cn1 1331391594 DAGWYAYRWQGFNW-UHFFFAOYSA-N 265.277 -0.205 50 20 CBGD C[C@H]1C[C@H](NC(=O)NNC(=O)C(=O)N2CCCC2)CCO1 1337066326 YWDBQYGEAKXKOA-VHSXEESVSA-N 298.343 -0.493 50 20 CBGD CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc[nH]n1 1347628806 MZXAVPVZAWGFRN-MRVPVSSYSA-N 270.314 -0.315 50 20 CBGD CCC(C)(C)[C@@H](O)C(=O)NNC(=O)[C@@H]1CCCNC1 1576941785 JMYFOROCIFUVOS-ZJUUUORDSA-N 271.361 -0.070 50 20 CBGD CCOC(Cn1ncc(C(=O)NNC)c1N)OCC 1578074913 BCWKKBVSWVRDJM-UHFFFAOYSA-N 271.321 -0.271 50 20 CBGD CNNC(=O)[C@@H](CO)NC(=O)OCc1ccccc1 1578741734 WGZTUIWXIPVFAR-SNVBAGLBSA-N 267.285 -0.476 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)C[C@]1(O)CCNC1 1579787892 FFWPVTSJJYHNOZ-CQSZACIVSA-N 277.324 -0.129 50 20 CBGD CS(=O)(=O)C1(C(=O)NNc2ccc(C(=O)O)cn2)CC1 1599744443 YCWPTBMCSLWOLX-UHFFFAOYSA-N 299.308 -0.200 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C(=O)O)C1CC1 1603486506 WDKTYAZPAVQZCA-MUWHJKNJSA-N 286.284 -0.414 50 20 CBGD CC(C)C(=O)NNC(=O)Nc1c(C(=O)O)cnn1C 1603706044 KCXSURLSQSNRJM-UHFFFAOYSA-N 269.261 -0.073 50 20 CBGD O=C(O)[C@H]1[C@H](O)CCCN1S(=O)(=O)CCl 1608596494 SYVVSTNPITYUED-PHDIDXHHSA-N 257.695 -0.578 50 20 CBGD O=C(NNC(=O)C(=O)O)NOCc1ccccc1 1610699036 BYRRNNJTCHRUFM-UHFFFAOYSA-N 253.214 -0.467 50 20 CBGD C=CCNS(=O)(=O)c1ccc(C(=O)NNC(C)=O)cc1 48089275 RXLZAFASBMIZLT-UHFFFAOYSA-N 297.336 -0.068 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CCn1cncn1 119363560 AWAJUBQKVYLBQJ-UHFFFAOYSA-N 262.273 -0.532 50 20 CBGD CN(C)S(=O)(=O)NNC(=O)c1ccc(C#N)cc1 172889918 UXJVRJFLHJTYHX-UHFFFAOYSA-N 268.298 -0.401 50 20 CBGD Cc1cccc(C)c1NCC(=O)NNC(=O)CO 180951985 HSRLSXQSXMOVGK-UHFFFAOYSA-N 251.286 -0.145 50 20 CBGD CC(C)(C)OCC(=O)NNC(=O)Cc1cc[nH]n1 186159653 MJHPAEVNWOGFFS-UHFFFAOYSA-N 254.290 -0.085 50 20 CBGD CCCS(=O)(=O)CC(=O)NNc1nc2ccccn2n1 276870938 STJFQKWZAUQQGA-UHFFFAOYSA-N 297.340 -0.003 50 20 CBGD CCOC(=O)NCC(=O)NNC(=O)[C@@H]1CCCO1 294741003 VDJYFYLILZRMMO-ZETCQYMHSA-N 259.262 -0.941 50 20 CBGD O=C(NCCOCC(F)(F)F)c1cccc(B(O)O)c1 584927808 XYDZADGNCAYDGG-UHFFFAOYSA-N 291.034 -0.325 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCCC[C@H]1CCO 584931306 PGIOWFAZCQDMRY-ZDUSSCGKSA-N 277.129 -0.257 50 20 CBGD C[C@@H](Cn1cccn1)NCc1ccc(B(O)O)cc1F 585018095 QBXNVIDEBCZZPJ-JTQLQIEISA-N 277.108 -0.120 50 20 CBGD C[C@H]1CN(C2CC2)C[C@H]1NCc1ccccc1B(O)O 585028702 ONFCLWGTCHUVHK-XHDPSFHLSA-N 274.173 -0.061 50 20 CBGD CCO[C@@H]1COCC[C@H]1NCc1ccc(B(O)O)cc1 585034973 ODOXOUSQAFVVIC-ZIAGYGMSSA-N 279.145 -0.350 50 20 CBGD COc1c(CNCc2ccc(B(O)O)o2)c(C)nn1C 585036810 PSEXDACKMUOWGU-UHFFFAOYSA-N 279.105 -0.700 50 20 CBGD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCB(O)O 585056407 VJIMMCCMDBZQBY-UHFFFAOYSA-N 292.053 -0.667 50 20 CBGD COc1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cc1 585060558 GOGOKJBWSRVRII-SECBINFHSA-N 285.130 -0.067 50 20 CBGD CC1(C)C[C@]1(C(=O)O)C(=O)N1CC[C@@H](B(O)O)C1 585068076 XPVDIJCQZMHNKB-RDDDGLTNSA-N 255.079 -0.437 50 20 CBGD COC(=O)CN(CC(=O)NNC(=O)C(C)(C)C)C1CC1 752337858 ZNLFDDHHSFESDQ-UHFFFAOYSA-N 285.344 -0.183 50 20 CBGD C#C[C@@H](NCC(=O)NNC(=O)C(C)(C)C)[C@H]1CCCO1 775799054 MSTLTWWDHDVDMS-GHMZBOCLSA-N 281.356 -0.050 50 20 CBGD N#C[C@H]1COCCN1CC(=O)NNC(=O)c1cccs1 777619307 JNIDDWUAGCZZBV-VIFPVBQESA-N 294.336 -0.267 50 20 CBGD COC(=O)[C@@H](C)N(CC(=O)NNC(=O)C1CC1)C1CCC1 792347464 IUAIJWPOBXFFCP-SECBINFHSA-N 297.355 -0.040 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@](C)(O)C1CC1 804355072 QETHBOMMEVKLHV-NSHDSACASA-N 252.274 -0.360 50 20 CBGD CCNC(=O)CNC(=O)NNc1cccc(F)n1 804870954 MNAZPXSCVPLFOU-UHFFFAOYSA-N 255.253 -0.017 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)c1cc2n(n1)CCO2 810179482 RTNKWSLLDDURIF-UHFFFAOYSA-N 278.190 -0.011 50 20 CBGD CC(C[C@@H]1CCC(=O)N1)=NNC(=O)C(=O)NC1CC1 811636547 IMTJFPMNIZTJJU-VIFPVBQESA-N 266.301 -0.574 50 20 CBGD C[C@H]1CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)C[C@@H](C)O1 834953467 HJLYWQVLZAQUGP-YIZRAAEISA-N 291.373 -0.016 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCO[C@H]1CC 838775395 DXIARHJBHCTQRD-BDAKNGLRSA-N 259.306 -0.079 50 20 CBGD Cc1nn(C)cc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843650932 ITYAAAOBSMMTGZ-BDAKNGLRSA-N 266.301 -0.085 50 20 CBGD CCn1ccc(C(=O)NNC(=O)N2CCOCC2)n1 843778459 FDEFJXCBJOQABN-UHFFFAOYSA-N 267.289 -0.410 50 20 CBGD O=S(=O)(CCl)NC[C@H](CO)[C@@H]1CCOC1 849391686 SWODVALACGGSSM-HTQZYQBOSA-N 257.739 -0.253 50 20 CBGD COC(=O)CNC(=O)NN=Cc1ccc(CO)cc1 853331073 GBEISIASMGZEPA-UHFFFAOYSA-N 265.269 -0.015 50 20 CBGD O=C1C[C@@H](C(=O)NNC(=O)NC2CCCCC2)N1 854192231 HLMYSGPDKANHGB-QMMMGPOBSA-N 254.290 -0.462 50 20 CBGD COc1ccnc(NNC(=O)N[C@@H]2CCN(C(C)=O)C2)n1 856973039 XCEDNRQCJNAKBR-SECBINFHSA-N 294.315 -0.268 50 20 CBGD O=C1NCC[C@H]1C(=O)NNc1nccnc1Cl 857127514 RKCZEEVCHVNJDR-RXMQYKEDSA-N 255.665 -0.291 50 20 CBGD C[C@H](C(=O)NNc1ncc(F)cn1)[C@@H]1CCC(=O)N1 860463371 SRTDQVUXBREKLT-XPUUQOCRSA-N 267.264 -0.027 50 20 CBGD CC(C)OCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862452796 ZJZVZWUJLFOWPR-MRVPVSSYSA-N 257.290 -0.773 50 20 CBGD O=C1CC[C@@H](C(=O)NN=Cc2ccc(C(=O)O)[nH]2)N1 863148972 NXAGWAACQKXXOC-ZETCQYMHSA-N 264.241 -0.558 50 20 CBGD CS(=O)(=O)CC(=O)NN=C1CC(=O)N2CCCC[C@@H]12 863187024 VAZUSQSZYXEAPS-VIFPVBQESA-N 287.341 -0.712 50 20 CBGD CCOC(=O)CN(CC)C(=O)c1ccc(B(O)O)cc1 863872919 PPNYPWXBPUUAKO-UHFFFAOYSA-N 279.101 -0.608 50 20 CBGD CC[C@H](C)N(CC(=O)OC)C(=O)c1ccc(B(O)O)cc1 863881314 QDOXYLWTMGUJKC-JTQLQIEISA-N 293.128 -0.220 50 20 CBGD CCc1cc(C(=O)NNC(=O)N2CCOCC2)n(C)n1 874248354 PIUGFKPAPRGUOK-UHFFFAOYSA-N 281.316 -0.331 50 20 CBGD CCCN1CCC[C@@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 912978692 VQHAASWMLIJUKD-MNOVXSKESA-N 296.371 -0.466 50 20 CBGD COC1(C(=O)NNC(=O)CN2CCCC2=O)CCCC1 913732926 NXBPTIMARRPTNJ-UHFFFAOYSA-N 283.328 -0.285 50 20 CBGD CC1(C)OC[C@@H]2C[C@@]21C(=O)NNC(=O)CN1CCCC1=O 913733322 DTAJYBYJTNEVEJ-XPTSAGLGSA-N 295.339 -0.429 50 20 CBGD CCNC(=O)NNC(=S)NC1CCN(C)CC1 920833376 GBQBXMQUNSVEIM-UHFFFAOYSA-N 259.379 -0.221 50 20 CBGD O=C(NNC(=O)c1c(O)cccc1O)C(=O)N1CCCC1 1116448868 BTLVPRFKXQGILB-UHFFFAOYSA-N 293.279 -0.519 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C1(S(C)(=O)=O)CC1 1116856561 FFWSFISBABUDGR-UHFFFAOYSA-N 286.313 -0.944 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)c1cc[n+]([O-])cc1 1319037145 YEXRIOYGUGPZKT-UHFFFAOYSA-N 272.264 -0.281 50 20 CBGD CC(=O)NNC(=O)C(=O)N1CCc2ccc(C#N)cc21 1320235124 PWSFMWIXOQKCKK-UHFFFAOYSA-N 272.264 -0.385 50 20 CBGD Cc1cc(C)n2nc(NC(=O)NNC(=O)CCO)nc2n1 1320276824 UZROFEXKERLJLZ-UHFFFAOYSA-N 293.287 -0.724 50 20 CBGD COCCC(C)(C)CNC(=O)NNC(=O)C(=O)OC 1320295816 NVIGXRWVWMBJNV-UHFFFAOYSA-N 275.305 -0.448 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCC[C@H]1CCCCO1 1320300650 BTLFKLHQKGKMID-SECBINFHSA-N 287.316 -0.161 50 20 CBGD CSC1(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CC1 1321813994 PODMIVKHEZBOOK-ZETCQYMHSA-N 292.382 -0.536 50 20 CBGD COCCCNC(=O)NNC(=O)CCCCNC(N)=O 1324343629 HFBPFAGGEZZJKC-UHFFFAOYSA-N 289.336 -0.808 50 20 CBGD COc1cc(C)cnc1C(=O)NNC(=O)C(=O)NC(C)C 1324563860 NYGMADJVSVNGLQ-UHFFFAOYSA-N 294.311 -0.316 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1CCOC1 1326284240 UBRCZACSELDCSA-CIUDSAMLSA-N 257.290 -0.469 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)Cc1cnc[nH]1 1327081752 WGEPQUXEEJMLEX-MRVPVSSYSA-N 281.316 -0.740 50 20 CBGD COC(=O)C(=O)NNC(=O)Nc1cnn(C(C)C)c1 1327084844 ODCBDCSVEXFKBV-UHFFFAOYSA-N 269.261 -0.210 50 20 CBGD Cc1ccncc1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1328717403 UFOLTOSZPDWDAP-JTQLQIEISA-N 291.311 -0.501 50 20 CBGD C[C@@H](C(=O)NNC(=O)NC1CC1)[C@@H]1CCC(=O)N1 1334938441 BDTDVFCNPVSACR-SVRRBLITSA-N 254.290 -0.606 50 20 CBGD COc1ccc(C(=O)NNC(=O)NCC2CC2)nn1 1339344398 DQGVQAUPFMWDBG-UHFFFAOYSA-N 265.273 -0.161 50 20 CBGD CC(C)S(=O)(=O)CC(=O)NNc1cccnn1 1342261543 CGAKWJAEIYYUCL-UHFFFAOYSA-N 258.303 -0.257 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1C 1342592483 RSBYWPZIPOHNJF-UHFFFAOYSA-N 281.316 -0.177 50 20 CBGD Cc1cc(=NNC(=O)[C@@H]2CN3CCN2C[C@H]3C)cc[nH]1 1520352360 KQRGGTFCSFQDJA-YPMHNXCESA-N 275.356 -0.357 50 20 CBGD Nc1ncccc1C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1 1549318622 QAKXTMNXUNVWSS-VXGBXAGGSA-N 289.339 -0.023 50 20 CBGD COCC[C@H](N)C(=O)NNC(=O)c1ccc(OC)cc1 1573978789 YQUOLGNJLRCLOQ-NSHDSACASA-N 281.312 -0.180 50 20 CBGD CC#CC[C@@H](N)C(=O)NNC(=O)c1cccc(C)n1 1574973583 WXTLMOPSXRTJAP-SNVBAGLBSA-N 260.297 -0.108 50 20 CBGD CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NN 1577922239 VHUIJQDVUBZAOR-ZCFIWIBFSA-N 261.278 -0.567 50 20 CBGD NC[C@H](O)C(=O)NNC(=O)c1ccc2ccccc2n1 1580328276 DBYMQYDJOCLTTK-NSHDSACASA-N 274.280 -0.685 50 20 CBGD O=C(O)C[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C1CC1 1601903885 JBZQIOMQGUSEAM-LLVKDONJSA-N 295.075 -0.511 50 20 CBGD O=C(O)CNC(=O)NNC(=S)NC[C@@H]1CCCCO1 1602072080 NOXKCBDRGSKXSM-ZETCQYMHSA-N 290.345 -0.682 50 20 CBGD O=C(O)COCCNC(=O)NNC(=O)[C@@H]1CCCS1 1602079850 KAGJTKYYPMNCDG-ZETCQYMHSA-N 291.329 -0.686 50 20 CBGD Cc1ccc(-n2nnc(C(=O)NNC(=O)CO)c2C)cc1 182743157 NXECVMBITQRMDO-UHFFFAOYSA-N 289.295 -0.363 50 20 CBGD O=C(CNC[C@H]1CCCO1)NNc1ncccn1 237935412 NTMUFZMEWYMLMO-SECBINFHSA-N 251.290 -0.312 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)CN(C)C)s1 265025935 FNMYYRDOFWBMDR-UHFFFAOYSA-N 285.325 -0.143 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CCn2ncn(C)c2=O)o1 294833787 DRWRCDLSHZAJKD-UHFFFAOYSA-N 293.283 -0.665 50 20 CBGD CC(C)(C)OC(=O)NCCC=NNC(=O)C(N)=O 493873501 NMKYPUXDTWKSBE-UHFFFAOYSA-N 258.278 -0.512 50 20 CBGD CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)Nc1cccc(B(O)O)c1 584911220 HMRMRGQFASGQPP-WDEREUQCSA-N 276.101 -0.971 50 20 CBGD CCN(CC)C(=O)CN(C)C(=O)c1ccc(B(O)O)cc1 584925631 KDRYREGZSTYPDL-UHFFFAOYSA-N 292.144 -0.693 50 20 CBGD CC1(C)CN(C(=O)c2ccc(B(O)O)cc2)CCO1 584929637 UBWWRLWFWWSGQW-UHFFFAOYSA-N 263.102 -0.383 50 20 CBGD Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc(B(O)O)cc1 584931406 TXJOBAGSGGVKCN-ZDUSSCGKSA-N 299.139 -0.093 50 20 CBGD COCCN(CCC#N)C(=O)c1cc(B(O)O)ccc1F 584943679 LXBCLDGINWAMHE-UHFFFAOYSA-N 294.091 -0.492 50 20 CBGD CC[C@H](C)[C@@](C)(O)CNC(=O)c1cccc(B(O)O)c1 584951711 LGUPGCXZKDDNCV-HZMBPMFUSA-N 279.145 -0.107 50 20 CBGD CO[C@H](CNC(=O)c1cccc(B(O)O)c1)C(C)C 584954337 HFFJEHAVZDYHBQ-GFCCVEGCSA-N 265.118 -0.233 50 20 CBGD CCN(CCCO)C(=O)c1cccc(B(O)O)c1 584966760 KNJWJZLLXZOIOE-UHFFFAOYSA-N 251.091 -0.789 50 20 CBGD C[C@H]1c2nncn2CCN1C(=O)c1cccc(B(O)O)c1 584980908 OEEDNCOBEMNTPV-VIFPVBQESA-N 286.100 -0.825 50 20 CBGD CCO[C@@H]1C[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584981402 FSKOLUALYRXYEL-WDEREUQCSA-N 267.065 -0.587 50 20 CBGD C[C@H](NCc1ccc(B(O)O)o1)[C@H](C)n1cncn1 585020416 WQGUEEKQARBLSV-IUCAKERBSA-N 264.094 -0.710 50 20 CBGD O=C(NCCNCc1ccc(B(O)O)o1)C1CCCCC1 585022229 KWCUJXCZPILUNO-UHFFFAOYSA-N 294.160 -0.255 50 20 CBGD O=C(NCB(O)O)[C@@H](c1cccc(F)c1)N1CCOCC1 585060348 FALXQNHVKIHQPT-GFCCVEGCSA-N 296.107 -0.673 50 20 CBGD O=C(NCB(O)O)c1cc(Cl)cc([N+](=O)[O-])c1 585060735 XLWGOEVZUXIYCE-UHFFFAOYSA-N 258.426 -0.010 50 20 CBGD O=C(N1CC[C@H](B(O)O)C1)C1(n2cnnn2)CCCCC1 585063588 CTDQAZSWYJFHMB-JTQLQIEISA-N 293.136 -0.592 50 20 CBGD CN1CCC[C@H](NS(=O)(=O)CBr)C1=O 704346548 XIVOXTQADGPNCK-LURJTMIESA-N 285.163 -0.121 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCNC(=O)[C@@H]1C 732200017 UDBZCLLQEOBLMH-VHSXEESVSA-N 284.360 -0.611 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)C)C1(C(N)=O)CCCC1 772235481 LHJSOGKPXIXZNL-UHFFFAOYSA-N 298.387 -0.090 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C/COC 786598196 AZAXLRDUSLNNMF-HQZHTGGTSA-N 258.274 -0.322 50 20 CBGD C[C@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)C(C)(C)O 787947520 RWERTJXVVCOJEL-IUCAKERBSA-N 274.317 -0.511 50 20 CBGD C[C@@H]1COCCC1=NNC(=O)[C@H](C)NS(C)(=O)=O 794507449 CPVJTAGOXBVHQV-SFYZADRCSA-N 277.346 -0.547 50 20 CBGD CCCNC(=O)NNS(=O)(=O)c1cncc(OC)c1 799122861 YYIUVBUERMDERD-UHFFFAOYSA-N 288.329 -0.007 50 20 CBGD CC(C)NC(=O)C(=O)NN=Cc1c[nH]c(C(=O)O)c1 814778316 ZOSJKVOXZBMTMB-UHFFFAOYSA-N 266.257 -0.312 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cc(CO)ccc1O 814900945 PCDVWAWSLNPUIM-UHFFFAOYSA-N 281.268 -0.309 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1C[C@H](C(=O)OC)C1 824176518 CVGGZJCOQXCSOE-ZKCHVHJHSA-N 273.289 -0.695 50 20 CBGD Cc1cc(C(=O)NNC(=O)C[C@@H]2CCC(=O)N2C)n[nH]1 831424315 LCNJPUUBZMFHIH-QMMMGPOBSA-N 279.300 -0.510 50 20 CBGD COC(=O)CNC(=O)NN=C1CCN(OC)CC1 834974307 YVLSTJQILOITRY-UHFFFAOYSA-N 258.278 -0.528 50 20 CBGD O=C(NNc1ccccn1)[C@H]1CCS(=O)(=O)N1 845918310 ISAGQHPHULZINP-SSDOTTSWSA-N 256.287 -0.784 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(N(C)C)CC1 855007020 SAKLCBYSJZSGCW-DTWKUNHWSA-N 255.318 -0.347 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=O)OCC(F)(F)F 856026911 RFMLAXLCTIHFDX-RXMQYKEDSA-N 274.195 -0.033 50 20 CBGD N[C@]12CCC[C@@H]1CN(CC(=O)NNC(=O)C1CC1)C2 857086572 WCTJFEYQNYRTAL-MFKMUULPSA-N 266.345 -0.643 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCOC1)c1cccnn1 862047511 IVKIDVTVQCKSEC-MRVPVSSYSA-N 250.258 -0.336 50 20 CBGD CC1=C(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCC1 862457152 BOKUXDBHXIJAFT-VIFPVBQESA-N 251.286 -0.087 50 20 CBGD COC[C@H](C)NC(=O)c1cc(B(O)O)ccc1F 863881565 SHQOVIKIYHDDQZ-ZETCQYMHSA-N 255.054 -0.730 50 20 CBGD CC1=NO[C@H](CNC(=O)c2cc(B(O)O)ccc2F)C1 863883980 UQLQQFWCMWBCLU-VIFPVBQESA-N 280.064 -0.600 50 20 CBGD COC(=O)[C@H](CO)NS(=O)(=O)CC(C)(C)CCl 867054619 SYLSSMMSGQNVOF-ZETCQYMHSA-N 287.765 -0.295 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CO[C@H](C)C1 869906529 NJMUZPAPSJFYFX-RKDXNWHRSA-N 260.290 -0.778 50 20 CBGD COCCN(C)CCCNC(=O)NN(C)C(=O)OC 875097586 PEAYIYCDJQTAJR-UHFFFAOYSA-N 276.337 -0.133 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H](c1cncn1C)N(C)C 910150383 QSVTVCWYSANCJW-ONGXEEELSA-N 269.349 -0.633 50 20 CBGD C[C@@H](O)CN(C)NC(=O)Cc1ccc(C(N)=O)cc1 910153366 SJVDUEKSKHMBGD-SECBINFHSA-N 265.313 -0.328 50 20 CBGD C[C@H](O)CN(C)NC(=O)CCNC(=O)C(C)(C)C 910175014 JRKKHMUXTMXYCF-VIFPVBQESA-N 259.350 -0.117 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)c1ccncc1 920396070 ZKYKAHXFYPSQEK-MRVPVSSYSA-N 264.285 -0.243 50 20 CBGD N#Cc1cccc(C2(C(=O)NNC(=O)CO)CC2)c1 1254645263 JVOCZEKZKZBTFS-UHFFFAOYSA-N 259.265 -0.270 50 20 CBGD CCOC(=O)NNC(=S)NCCS(C)(=O)=O 1318293394 LDWAHUHFIFKSEI-UHFFFAOYSA-N 269.348 -0.844 50 20 CBGD O=C(Cc1cc(O)nc(O)n1)NN=Cc1ccccn1 1318899185 BIZGGYMFJFCNME-UHFFFAOYSA-N 273.252 -0.024 50 20 CBGD CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CCl 1324706077 GQXGEAASMSTHOF-ZETCQYMHSA-N 254.739 -0.235 50 20 CBGD NS(=O)(=O)CCCCCC(=O)NNC(=O)NC1CC1 1329632602 UBORBUPWSLSIAK-UHFFFAOYSA-N 292.361 -0.672 50 20 CBGD Cc1nn(C)c2ncc(C(=O)N3CC[C@@H](B(O)O)C3)cc12 1329671731 LJKCSGITSWAZSZ-SNVBAGLBSA-N 288.116 -0.034 50 20 CBGD Cc1noc(C)c1CC(=O)N1CC[C@H](B(O)O)C1 1329672962 SRVMCSNXQNJUOX-VIFPVBQESA-N 252.079 -0.091 50 20 CBGD COCCOCC(=O)NNC(=O)c1nn(C)cc1Cl 1330605420 YWEHTXBHHAECRO-UHFFFAOYSA-N 290.707 -0.503 50 20 CBGD C[C@@H]1CC(=NNC(=O)CS(C)(=O)=O)c2ncnn21 1331722957 NLKAXEBRJAEMFL-ZCFIWIBFSA-N 271.302 -0.892 50 20 CBGD COC[C@@H](CO)NC(=O)NNC(=O)c1cccc(C)n1 1344381763 RSJPVURWAOBLOI-SECBINFHSA-N 282.300 -0.659 50 20 CBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNc1cccnn1 1345426367 IFJSQVXVSRADFX-UHFFFAOYSA-N 296.312 -0.781 50 20 CBGD Cn1cc(C(=O)NNC(=O)C2(F)CCOCC2)cn1 1351792056 YGROYMSDELUZJY-UHFFFAOYSA-N 270.264 -0.300 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@H](C(=O)O)[C@H]1C 1603706463 UTHWTFIUYBXOIK-BDAKNGLRSA-N 271.317 -0.415 50 20 CBGD CC1(C)CCC[C@H](CNC(=O)NNC(=O)C(=O)O)O1 1604528607 KEWPSRGGKHWCJP-SSDOTTSWSA-N 273.289 -0.251 50 20 CBGD O=C(O)CN1CCC[C@H](C(=O)NNC(=O)CC2CC2)C1=O 1606253046 HNELFFCCOOPUEL-SECBINFHSA-N 297.311 -0.743 50 20 CBGD O=C(NNC(=O)C1CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 40563785 UPUFUOIBDRLWMF-UHFFFAOYSA-N 288.263 -0.613 50 20 CBGD CCNC(=O)NNC(=O)COc1ccc(C(N)=O)cc1 49164020 OKDYHZIMRBSNSV-UHFFFAOYSA-N 280.284 -0.485 50 20 CBGD COc1cc(NC(=O)NNC(=O)[C@@H]2CCCO2)ncn1 292565269 CAJZETHGHSCRQQ-ZETCQYMHSA-N 281.272 -0.183 50 20 CBGD CN1C[C@H](C(=O)NNC(=O)c2ccc[nH]2)CC1=O 298293121 MFIARJPJCYIXOR-SSDOTTSWSA-N 250.258 -0.746 50 20 CBGD C[C@@H]1CN(C)CC[C@H]1NC(=O)c1cc(B(O)O)ccc1F 584937095 LGGJFORQUZREBE-NOZJJQNGSA-N 294.135 -0.425 50 20 CBGD CN1CCC[C@@H]1CNC(=O)c1ccc(B(O)O)cc1 584946507 UCJDPQOTTSUOTC-GFCCVEGCSA-N 262.118 -0.810 50 20 CBGD C[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CC[S@@]1=O 584950955 OEMBEVPZGLMUBE-FHZGZLOMSA-N 299.132 -0.902 50 20 CBGD C[C@@H](O)[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584964035 CHIMSGFBERXFCO-PWSUYJOCSA-N 277.129 -0.401 50 20 CBGD C[C@H]1[C@@H](C)N(C)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584970738 SFGWJAVTVZTQFO-ZJUUUORDSA-N 294.135 -0.330 50 20 CBGD N#CCC1(CNC(=O)c2cccc(B(O)O)c2)CC1 584984458 VRASLBRNCFYGIG-UHFFFAOYSA-N 258.086 -0.210 50 20 CBGD CC[C@@H](C)C[C@@H](CO)NC(=O)c1cccc(B(O)O)c1 585003245 IVHLMXQLXXUMKQ-MFKMUULPSA-N 279.145 -0.107 50 20 CBGD OCCN1CCC(CNCc2ccc(B(O)O)cc2)CC1 585021970 QSODLVJQBOOMNA-UHFFFAOYSA-N 292.188 -0.840 50 20 CBGD CC(=O)N1CC[C@H](NCc2ccc(B(O)O)cc2F)C1 585030029 CXJMURCXZCAION-LBPRGKRZSA-N 280.108 -0.784 50 20 CBGD C[C@@H]1C[C@H](NCc2ccc(B(O)O)cc2F)CO1 585047659 FDNARSOAILYWNK-KCJUWKMLSA-N 253.082 -0.228 50 20 CBGD C[C@@H](C1CC1)N(C)S(=O)(=O)N1CC[C@@H](B(O)O)C1 585057525 GGJYAYOKSKFXCV-WCBMZHEXSA-N 276.167 -0.490 50 20 CBGD COc1ccc2c(c1)C=C(C(=O)NCB(O)O)CO2 585062611 VBJKRUNESPOMJH-UHFFFAOYSA-N 263.058 -0.401 50 20 CBGD CCC(C)(C)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 726769121 GHXDQVYHOIRLBP-QMMMGPOBSA-N 291.373 -0.060 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CSc1nncn1C 726931678 CLSPSHGDWDNBGZ-UHFFFAOYSA-N 294.340 -0.293 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc(Cl)c[nH]2)N1 732307895 QLDOHPQYEHTLNW-LURJTMIESA-N 270.676 -0.292 50 20 CBGD CN(C)C(=O)Cn1cc(C(=O)NNC(=O)C(C)(C)C)nn1 742807246 UPKRRQUYYQEKPR-UHFFFAOYSA-N 296.331 -0.827 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)c1ccc(C#N)cc1 751748097 JUQIIZNGMLTPEW-NSHDSACASA-N 286.291 -0.060 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)c1ccnnc1 756767696 XIJPHYYTBKAAPQ-UHFFFAOYSA-N 257.253 -0.125 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCO[C@H]([C@H]2CCCO2)C1 756896573 LPNDGNZWNXIJSH-TUAOUCFPSA-N 299.371 -0.188 50 20 CBGD COc1cc(C(=O)NNC(=O)C(C)(C)O)cc(OC)c1O 768243867 HEWAXEYUNSFCHC-UHFFFAOYSA-N 298.295 -0.059 50 20 CBGD CC(C)[C@](C)(O)C(=O)NNc1nc(O)c2cnn(C)c2n1 771351588 BWPBWSKLYMCGMP-LBPRGKRZSA-N 294.315 -0.081 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CN(C)C(=O)OC 772019781 IBDOLBXMDMGZHX-ZETCQYMHSA-N 289.288 -0.826 50 20 CBGD CC(=NNC(=O)C(N)=O)c1cc(C(=O)O)c(C)nc1C 776720434 NGMZKIKPYKTZQA-UHFFFAOYSA-N 278.268 -0.278 50 20 CBGD COc1cncc(C(=O)NNC(=O)c2cccnc2)n1 790102625 HAXNSLYQCHZDFA-UHFFFAOYSA-N 273.252 -0.045 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cccc(O)c2O)cn1 790743400 MZDPHOZLSLIYFN-UHFFFAOYSA-N 276.252 -0.094 50 20 CBGD CCOC1CC(C(=O)NNC(=O)Cc2cc[nH]n2)C1 806808815 NXJUVJDBIWISDK-UHFFFAOYSA-N 266.301 -0.085 50 20 CBGD CC(C)[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)N(C)C 807380225 DJXUISQGAWFLSV-NSHDSACASA-N 285.392 -0.439 50 20 CBGD CN(C)c1noc(CNC(=O)NNc2cccnn2)n1 812220816 WWYBFFYUSVOUEI-UHFFFAOYSA-N 278.276 -0.248 50 20 CBGD C[C@H](C(=O)NNC(=O)Cc1cn2ccccc2n1)N(C)C 820519433 HNYCPFOXGNQWIY-SNVBAGLBSA-N 289.339 -0.026 50 20 CBGD CCOC1(C(=O)NN(C)[C@H](C)CO)CCOCC1 823906990 FKXAKTMAZIQTKD-SNVBAGLBSA-N 260.334 -0.084 50 20 CBGD Cc1cc(C)n2nc(C(=O)NN(C)[C@H](C)CO)nc2n1 823982934 HLRFCEIQOMCKGR-SECBINFHSA-N 278.316 -0.301 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc2c(c1)CCNC2=O 824317449 YNFWSELEMQWEFU-UHFFFAOYSA-N 278.268 -0.883 50 20 CBGD O=C(NN=c1cc[nH]cc1)c1cc(-c2nn[nH]n2)c[nH]1 826449233 IMYCOBRSRQFGRC-UHFFFAOYSA-N 270.256 -0.231 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@@H]2CCNC2=O)nc1 831286709 UKDBORPVSZRJLH-MRVPVSSYSA-N 278.268 -0.553 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)C[C@@H]2CCC(=O)N2)n1 831988487 NTWKKVSNCGFPDI-YFKPBYRVSA-N 284.707 -0.176 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc2n(n1)CCO2 843652626 BLBGTBJTARBCDZ-JGVFFNPUSA-N 280.284 -0.539 50 20 CBGD CNC(=S)N(C)NC(=O)CNC(=O)c1cccs1 854929785 RQVKVAVWJLLPKL-UHFFFAOYSA-N 286.382 -0.055 50 20 CBGD O=C1CC[C@@H](CC(=O)NNC(=O)c2cc[nH]n2)CN1 855355295 VLPLOOOGUHMPLM-ZETCQYMHSA-N 265.273 -0.913 50 20 CBGD C[C@@](O)(CC(=O)NNC(=O)c1cc[nH]n1)C1CC1 855357722 QKKXKEBPNPVZED-LLVKDONJSA-N 252.274 -0.278 50 20 CBGD C=CC[C@@H](CC)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858422539 VHFJELPCKVSCOI-BDAKNGLRSA-N 268.317 -0.050 50 20 CBGD CC[C@]1(C)CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 858699685 WLPGPKMNXXSYTA-NOZJJQNGSA-N 298.343 -0.493 50 20 CBGD COc1ncccc1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 860459130 VLKMGVQZZOTYBX-SSDOTTSWSA-N 293.283 -0.479 50 20 CBGD CC(C)[C@H](NC=O)C(=O)NNc1ncncc1F 861817623 PDRPPTHBBXQHBB-QMMMGPOBSA-N 255.253 -0.171 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1[C@H]2CCCC[C@H]21 863463192 UTGGZJCQMICXOU-MBTKJCJQSA-N 274.342 -0.385 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCCCO1 863880369 WZZZRVKCGRVWSL-UHFFFAOYSA-N 253.038 -0.327 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@H]2COC[C@@H]21 863886377 YGXRDLNJAUFQLH-YPMHNXCESA-N 275.113 -0.383 50 20 CBGD O=S(=O)(c1cn2c(n1)CCCC2)N1CC[C@H](B(O)O)C1 864232294 ZIMNCYCVLKYLTD-VIFPVBQESA-N 299.161 -0.543 50 20 CBGD COCCOCC(=O)NNC(=O)COc1ccccc1 869913805 MKDBPWQLDFGFTR-UHFFFAOYSA-N 282.296 -0.124 50 20 CBGD CC(C)(CCl)CS(=O)(=O)NC1CS(=O)(=O)C1 882527960 MQUCFHLFDFJRRW-UHFFFAOYSA-N 289.806 -0.032 50 20 CBGD COC(OC)C(=O)NNc1ccnc(N(C)C)n1 896507750 ARABPGIBPSMGSB-UHFFFAOYSA-N 255.278 -0.395 50 20 CBGD COCC(=O)NN=Cc1ccc(C(=O)OC)cn1 901199251 PIFITRPBZQLTED-UHFFFAOYSA-N 251.242 -0.035 50 20 CBGD CCn1cc(C=NNC(=O)COCCOC)nn1 901271067 HVROGQKZMVXHDN-UHFFFAOYSA-N 255.278 -0.589 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1c2c(nn1C)CCC2 910182181 HABCCOCKMHDCJP-QMMMGPOBSA-N 252.318 -0.134 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)c1ccccn1 920395942 QXNIGMJHLUZCSZ-QMMMGPOBSA-N 264.285 -0.243 50 20 CBGD Cc1ccc2ncc(C(=O)NN(C)C(N)=O)c(=O)n2c1 1116449407 RNJMMLRJCXULFT-UHFFFAOYSA-N 275.268 -0.342 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)NC2CC2)ccn1 1116847625 KVSUWWFEAZHCGX-UHFFFAOYSA-N 262.269 -0.570 50 20 CBGD CC(=O)N1CC(C(=O)NNc2ccc(C#N)cn2)C1 1119669273 IPXCFQHVZJHIBC-UHFFFAOYSA-N 259.269 -0.125 50 20 CBGD CS(=O)(=O)CC(=O)NNc1nc(-c2ccncc2)no1 1251752149 WMIFNVWABKFGHH-UHFFFAOYSA-N 297.296 -0.381 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccc(Cl)nc1 1318881993 HGYIYPDMJCXGPO-UHFFFAOYSA-N 286.675 -0.262 50 20 CBGD Cc1nnc2n1C[C@H](C(=O)NNC(=O)NC(C)C)CC2 1319628286 UFHDIKUQOLPOCX-SECBINFHSA-N 280.332 -0.112 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)c1c(C)nn(C)c1C 1320277817 GVZOUGTWRSVONM-UHFFFAOYSA-N 281.316 -0.088 50 20 CBGD O=C(/C=C\c1ccco1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1321415217 OPMYQBHFARODMW-ZBJFTSOASA-N 298.320 -0.125 50 20 CBGD CO[C@@H](C)CCC(=O)NNC(=O)C(=O)Nc1ccccn1 1323673317 WOKWDECUJXSNOY-VIFPVBQESA-N 294.311 -0.017 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCc2nnc(O)cc2C1 1325788429 AXMUMDDAZIBTGS-QMMMGPOBSA-N 293.327 -0.514 50 20 CBGD COCCn1nc(C(=O)NN(C)C2CC2)ccc1=O 1325914846 CAQLEHZEQYPESQ-UHFFFAOYSA-N 266.301 -0.371 50 20 CBGD Cn1nnc2c(C(=O)NNc3ccncn3)ccnc21 1328675743 XVOGXMJOADZASO-UHFFFAOYSA-N 270.256 -0.090 50 20 CBGD CC(C)(C)C(=O)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329172517 MKHJUYIIOJDOFU-LURJTMIESA-N 255.274 -0.972 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@@H]1CCC(=O)[C@H]1C 1329608874 PQGPVPFGCBAHNA-UWVGGRQHSA-N 286.328 -0.198 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCc2nncn2C1 1330878710 GJOKIJGMUMZENN-RKDXNWHRSA-N 253.306 -0.816 50 20 CBGD O=C(NNC(=O)C1CCOCC1)c1cncnc1 1335107213 NWBWZRFUIPPICY-UHFFFAOYSA-N 250.258 -0.336 50 20 CBGD Cn1cc(C=NNC(=O)C(=O)Nc2ccccn2)cn1 1340278189 ZOHIWSIHYPBBLR-UHFFFAOYSA-N 272.268 -0.096 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)COC2 1342590393 IOIABUXSNKSIOB-UHFFFAOYSA-N 263.253 -0.177 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H](N)Cc1ccccn1 1574942538 ARQBQJGESUUWEB-SNVBAGLBSA-N 279.369 -0.367 50 20 CBGD COCC[C@@H](N)C(=O)NNc1ccc(C(=O)OC)cn1 1578998426 YGJVOBKRSXHVGP-SECBINFHSA-N 282.300 -0.325 50 20 CBGD N#C[C@@]1(C(=O)NNC(=O)NC2CCNCC2)CCCOC1 1580035824 HGCTWLUYBHCOGF-ZDUSSCGKSA-N 295.343 -0.611 50 20 CBGD NCCNC(=O)NNC(=O)C[C@@H]1Cc2ccccc2O1 1580311545 ZFLJGZCXAJSHEC-JTQLQIEISA-N 278.312 -0.331 50 20 CBGD C[C@]1(C(=O)O)CCCN1C(=O)c1cccc(B(O)O)c1 1589189222 YGNMVWDBXGWOLI-CYBMUJFWSA-N 277.085 -0.554 50 20 CBGD CNC(=S)N(C)NC(=O)c1cc(-c2nn[nH]n2)cn1C 1591215736 QVJQYXCKNSYBRV-UHFFFAOYSA-N 294.344 -0.714 50 20 CBGD CC1(C)CC[C@@H](CCNC(=O)NNC(=O)C(=O)O)OC1 1593876729 PIUWPIZKNVALMU-QMMMGPOBSA-N 287.316 -0.003 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)N[C@H]1C[C@@H](C(=O)O)C1 1594711381 TUZLDKZFIUOULN-AOOOYVTPSA-N 292.295 -0.182 50 20 CBGD O=C(NCCc1cccc(O)c1)NNC(=O)C(=O)O 1601511832 GUOJDWAHENSIPH-UHFFFAOYSA-N 267.241 -0.650 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCCc2cccnc21 1601552798 IPLLAQCHGPGMAW-QMMMGPOBSA-N 278.268 -0.126 50 20 CBGD CCOC(=O)C1=CC[C@@H](NC(=O)NNC(=O)C(=O)O)C1 1605522959 XFSNTAUBFAECJQ-SSDOTTSWSA-N 285.256 -0.947 50 20 CBGD Cn1cc(NC(=O)NNC(=O)c2cc[nH]n2)cc1C(=O)O 1608119448 JSDLANDBTZJMJX-UHFFFAOYSA-N 292.255 -0.087 50 20 CBGD C[C@@H](CN1CCN(C)CC1)NC(=O)NNC(=O)C(C)(C)C 106583206 JDFABJNQPACOBY-NSHDSACASA-N 299.419 -0.001 50 20 CBGD C[C@@H]1OCC[C@@]1(O)CNS(=O)(=O)CBr 228083377 LEZUGZCKWZLEDU-NKWVEPMBSA-N 288.163 -0.202 50 20 CBGD CS(=O)(=O)NCCCNS(=O)(=O)CCCCl 231025027 RKHFCMVMJWUFCH-UHFFFAOYSA-N 292.810 -0.526 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CCCN(C(C)=O)C1 263722869 SEXXUXZMVQHQSF-SNVBAGLBSA-N 284.385 -0.074 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)NCCN1C(=O)CNC1=O 265013141 CTJDTDAIEDFZMO-UHFFFAOYSA-N 299.331 -0.695 50 20 CBGD Cc1cc(NNC(=O)[C@@H](C)NS(C)(=O)=O)nc(C)n1 265528337 KTZIZQFGBTVLFU-SSDOTTSWSA-N 287.345 -0.526 50 20 CBGD CC[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)N1CCCC1=O 266792509 FJLDEVSEOCZTFF-VIFPVBQESA-N 298.343 -0.941 50 20 CBGD NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 270198991 FQAJMMUSYVBTFD-SSDOTTSWSA-N 275.355 -0.109 50 20 CBGD CN(CC(=O)NN(C)C(N)=O)C(=O)OC(C)(C)C 271239719 BGVYIOJJHINJGP-UHFFFAOYSA-N 260.294 -0.105 50 20 CBGD COC(=O)c1cccc(NNC(=O)CCNC(N)=O)c1 272869590 WMSFKMPWUKIDLK-UHFFFAOYSA-N 280.284 -0.025 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ccccc2O)CC1 278537865 FAXJNXZBMSWZMM-UHFFFAOYSA-N 278.312 -0.006 50 20 CBGD NC(=O)[C@@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccccc2)O1 282880232 VHGGTBNPDOCINA-UWVGGRQHSA-N 292.295 -0.128 50 20 CBGD CC(C)n1cnnc1CNC(=O)c1cccc(B(O)O)c1 584943768 VYMMWLIEQUPWPY-UHFFFAOYSA-N 288.116 -0.531 50 20 CBGD CC[C@H](C)[C@@H](CO)NC(=O)c1cc(B(O)O)ccc1F 584969757 OYWCRCKNMRSYIJ-QPUJVOFHSA-N 283.108 -0.358 50 20 CBGD C[C@@H]1CC[S@](=O)CCN1C(=O)c1ccc(B(O)O)cc1 584984192 YIVPISWYSARQAT-SBKAZYGRSA-N 295.169 -0.651 50 20 CBGD CN(C(=O)c1cc(B(O)O)ccc1F)[C@H]1CCCOC1 584988412 MYWAOLYEMKENPW-JTQLQIEISA-N 281.092 -0.244 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@]12CCOC2 584994034 MMRXXXICJYFUIB-CQSZACIVSA-N 275.113 -0.239 50 20 CBGD CN(C)C1(CNC(=O)c2cc(B(O)O)ccc2F)CC1 585001229 TZIOCPQUKYTSAT-UHFFFAOYSA-N 280.108 -0.671 50 20 CBGD O=C(NCCC1CSC1)c1ccc(B(O)O)c(F)c1 585001502 WZVZCXHOAUOMGJ-UHFFFAOYSA-N 283.133 -0.012 50 20 CBGD C[C@@H](CNCc1ccccc1B(O)O)[S@@](C)=O 585035601 VYUZSMBITPKFKF-HUTHGQBESA-N 255.148 -0.777 50 20 CBGD COC[C@H](NCc1ccc(B(O)O)cc1F)[C@H]1CCCO1 585039458 VFHGAHYEPPXAJZ-UONOGXRCSA-N 297.135 -0.211 50 20 CBGD CNC(=O)[C@H](CCSC)NCc1ccccc1B(O)O 585042119 ZWOQTTLDPTUEIW-LBPRGKRZSA-N 296.201 -0.676 50 20 CBGD COCC1(NCc2cccc(B(O)O)c2)CCOCC1 585043463 OUJIPHWKEPWKPS-UHFFFAOYSA-N 279.145 -0.348 50 20 CBGD OB(O)c1ccc(CNCC[C@@]2(O)CCOC2)c(F)c1 585045198 CVYAWMVHDRERNP-CYBMUJFWSA-N 283.108 -0.863 50 20 CBGD CN1CCC[C@H]1CCNCc1ccccc1B(O)O 585047743 UJPJRRQCSZEYNR-ZDUSSCGKSA-N 262.162 -0.060 50 20 CBGD Cn1ncc(C(=O)NCB(O)O)c1-c1ccccc1 585062731 MFIZBVSXPVBFFR-UHFFFAOYSA-N 259.074 -0.171 50 20 CBGD Cc1[nH]nc(S(=O)(=O)NNC(=O)C(C)C)c1C(=O)O 738829965 WFZPJEHCDJPZDO-UHFFFAOYSA-N 290.301 -0.618 50 20 CBGD O=C(CO)NNC(=O)c1ccc(C(=O)NC2CC2)cc1 753445558 NLJHVUBIHLIXJI-UHFFFAOYSA-N 277.280 -0.668 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CC[C@H](O)CC1 753714827 PJARUPBYFLZAGK-KYZUINATSA-N 259.306 -0.343 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H](COC)[C@H]1CCCO1 789335155 PMALLCZHTAWOPO-NXEZZACHSA-N 289.332 -0.453 50 20 CBGD CN1CCN(C(=O)NN=Cc2cn(C)nn2)CC1 790176087 MILPAVLFGCIIND-UHFFFAOYSA-N 251.294 -0.894 50 20 CBGD COCCOCCC(=O)NNC(=O)N=c1cc[nH]cc1 802024077 GWVWHQNGXQKKEM-UHFFFAOYSA-N 282.300 -0.291 50 20 CBGD COc1ccccc1C(=O)NNC(=O)c1ncn(C)n1 810375002 NGMXZGSMNJJWNR-UHFFFAOYSA-N 275.268 -0.102 50 20 CBGD COCCN(C)NC(=O)CC(=O)NCC(F)(F)F 819745151 RUVLEAUEDUXTMX-UHFFFAOYSA-N 271.239 -0.336 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CCc2n[nH]cc2C1 823869178 CEODEXMSHBBLSI-SECBINFHSA-N 252.318 -0.140 50 20 CBGD C=CCn1cc(C(=O)O[C@H](C)C(=O)NNC(=O)CC)nn1 830121031 ZFMGBODRAWWLOU-MRVPVSSYSA-N 295.299 -0.433 50 20 CBGD C=CCOC[C@@H](NS(=O)(=O)CCl)C(=O)OC 831353936 YUKYURKSLATMQC-SSDOTTSWSA-N 271.722 -0.154 50 20 CBGD CC(C)C[C@@H](C(N)=O)C(=O)NNC(=O)[C@@H]1CCCCO1 839781593 UVINKFOPMFWBOM-UWVGGRQHSA-N 285.344 -0.150 50 20 CBGD CCCN1C[C@@H](C(=O)NNC(=O)NC(C)C)CC1=O 840294188 MOPCHHGUEKGJEA-VIFPVBQESA-N 270.333 -0.016 50 20 CBGD CCN1C[C@H](C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1=O 843648591 YFBJAPPLHKSLBF-BBBLOLIVSA-N 283.328 -0.573 50 20 CBGD Cc1ncc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)[nH]1 843975988 VXDHTPYWGYQPRN-HTRCEHHLSA-N 252.274 -0.096 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@H]1CC[C@H]1C(N)=O 847478175 TXXVQLAXJPWDQV-BDAKNGLRSA-N 291.307 -0.032 50 20 CBGD C[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)c1cc[nH]n1 855354341 ATEIDRQRYMZWDV-ZETCQYMHSA-N 262.273 -0.227 50 20 CBGD C[C@@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)c1cc[nH]n1 855362384 RZBJZHAVNUBBNU-SSDOTTSWSA-N 281.316 -0.279 50 20 CBGD CN1CCO[C@H](C(=O)NNc2ncc(Cl)cn2)C1 857356545 OTZMHOYDYMBBAW-QMMMGPOBSA-N 271.708 -0.096 50 20 CBGD O=C(NNS(=O)(=O)C[C@H]1CCCCO1)c1cn[nH]c1 863413940 NOWLRUWEHFUYFZ-SECBINFHSA-N 288.329 -0.457 50 20 CBGD CCc1occc1C(=O)NNC(=O)CS(C)(=O)=O 863465809 GPSMLYXLFJDWSB-UHFFFAOYSA-N 274.298 -0.352 50 20 CBGD CCOC(=O)CCNC(=O)c1cc(B(O)O)ccc1F 863871583 ULRLONLPJCSXNA-UHFFFAOYSA-N 283.064 -0.812 50 20 CBGD O=C1CN(CC(=O)NNc2ncncc2Cl)CCN1 907603920 OCWPOUUAASVUMH-UHFFFAOYSA-N 284.707 -0.995 50 20 CBGD C[C@H](O)CN(C)NC(=O)CN1C(=O)c2ccccc2C1=O 910182521 IURIPEIWNVDDMZ-VIFPVBQESA-N 291.307 -0.374 50 20 CBGD CCCn1cc(C(=O)NNC(=O)CN2CCCC2=O)cn1 913732263 OEFHZOFBQYNCRY-UHFFFAOYSA-N 293.327 -0.324 50 20 CBGD C[C@@H](C(=O)N(C)C)S(=O)(=O)NCCCSC#N 916992430 JRSVYRANIJASPH-QMMMGPOBSA-N 279.387 -0.013 50 20 CBGD CNC(=O)NNC(=O)Cc1cnn(-c2ccccc2)n1 919879511 IHRKLGAXUYDJEE-UHFFFAOYSA-N 274.284 -0.230 50 20 CBGD O=C(CCc1ccco1)NNC(=O)CN1CCCC1=O 920434101 PIISJTVSKZXJQT-UHFFFAOYSA-N 279.296 -0.018 50 20 CBGD CC(=O)NNC(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1 929183636 YVXDGHBIDAKNAD-JTQLQIEISA-N 265.273 -0.611 50 20 CBGD C#CCOCCC(=O)NNc1nnc(C)c(O)n1 1116386520 IXRSRUDZXLCVMW-UHFFFAOYSA-N 251.246 -0.631 50 20 CBGD O=C(NNC(=O)[C@]1(F)CCOC1)C1CCOCC1 1119288328 ATVLEPAAOHLKQA-NSHDSACASA-N 260.265 -0.311 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCCOC(F)F 1256706425 VZOXBSCSGUFMHD-UHFFFAOYSA-N 269.204 -0.881 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cc(CC)nn1C 1320510438 LGANTDOUGVZXSR-UHFFFAOYSA-N 267.289 -0.522 50 20 CBGD CC(=O)NCCNC(=O)NNC(=O)CC(F)(F)F 1321828292 WACNCOQGEKNSAA-UHFFFAOYSA-N 270.211 -0.595 50 20 CBGD O=C(NNC(=O)C1CCNCC1)c1cnns1 1328712798 USEGWCACKJCOTC-UHFFFAOYSA-N 255.303 -0.701 50 20 CBGD O=C1CC[C@@]2(C(=O)N3CC[C@@H](B(O)O)C3)SCCN12 1329672557 QRZQZZWKZCTJIH-KCJUWKMLSA-N 284.146 -0.873 50 20 CBGD CSCCCCC(=O)NNC(=O)CS(C)(=O)=O 1330169214 WBGUFARQANJWPA-UHFFFAOYSA-N 282.387 -0.288 50 20 CBGD Cn1nncc1NNC(=O)c1ccc2c(c1)NC(=O)CO2 1330425638 WYCKFQKCZQQDRZ-UHFFFAOYSA-N 288.267 -0.097 50 20 CBGD O=C(C[C@H]1CCC(=O)N1)NNc1ncc(F)cn1 1331152460 DNYODSFDKSQYBP-SSDOTTSWSA-N 253.237 -0.273 50 20 CBGD CCNC(=O)NNC(=O)CCCN1C(=O)CCC1=O 1337858386 AZPLNGYNPRQLFJ-UHFFFAOYSA-N 270.289 -0.734 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCc1cncnc1 1347803104 OUILRGIHBPZQBH-UHFFFAOYSA-N 274.284 -0.098 50 20 CBGD C[C@@H](NNC(=O)c1cn(CC(=O)O)nn1)C(F)(F)F 1589131910 IDTWPUYHDAPJJI-SCSAIBSYSA-N 281.194 -0.452 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccccc1C(=O)O 1589150426 QOIWLOFCJPDBIU-UHFFFAOYSA-N 265.225 -0.509 50 20 CBGD C[C@@]1(CNC(=O)NNC(=O)C(=O)O)C[C@@H]2C[C@@H]2C1 1594019355 APHUYMCEJRMWBG-IIDWOEFGSA-N 255.274 -0.162 50 20 CBGD O=C(NNC(=O)c1ncccn1)N[C@H]1C[C@@H](C(=O)O)C1 1594780136 KBCGWJSWXOSCEA-KNVOCYPGSA-N 279.256 -0.716 50 20 CBGD Cc1ccn2cc(CNC(=O)NNC(=O)C(=O)O)nc2c1 1600596657 ZCJBLFZNVPKWHG-UHFFFAOYSA-N 291.267 -0.442 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H]1CCC[C@@H]1C(=O)O 1604860490 VQMCXUUKRICYKP-CIUDSAMLSA-N 271.317 -0.225 50 20 CBGD COc1ccc(NC(=S)NNC(=O)CC(=O)O)cn1 1607276726 VHFHWJNILXXOMJ-UHFFFAOYSA-N 284.297 -0.118 50 20 CBGD Cc1nsc(C=NNC(=O)C(=O)NC2CC2)c1C(=O)O 1776027235 MHCQCMBVHLOFPE-UHFFFAOYSA-N 296.308 -0.122 50 20 CBGD CCOCC(=O)NNC(=O)NCCc1cccnc1 66698822 OSVNKJLIRMVWMA-UHFFFAOYSA-N 266.301 -0.009 50 20 CBGD O=C1NC[C@@H]2CN(S(=O)(=O)CCCCl)CCN12 91758735 XQPZJSNUXFNUPW-MRVPVSSYSA-N 281.765 -0.346 50 20 CBGD O=C(Cn1ccccc1=O)NNC(=O)[C@@H]1CCCO1 154224254 VMPQIPVQOGYFSH-VIFPVBQESA-N 265.269 -0.825 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)c2ccc[nH]2)CC1=O 192743682 LJCGPZADXKJUCD-QMMMGPOBSA-N 264.285 -0.356 50 20 CBGD COC(=O)N[C@H](C(=O)NNC(=O)c1cnn(C)c1)C(C)C 265294443 DCAMIMGSLNWLIK-VIFPVBQESA-N 297.315 -0.438 50 20 CBGD COC(=O)c1cccc(CC(=O)NNC(=O)C(C)(C)O)c1 277985011 OVASNTNYHZRSLK-UHFFFAOYSA-N 294.307 -0.066 50 20 CBGD O=C(CNC(=O)c1ccccn1)NNC(=O)[C@@H]1CCCO1 292064128 CXRCVTMHVSLUPC-JTQLQIEISA-N 292.295 -0.862 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1cc([N+](=O)[O-])[nH]n1 295249585 ACESMWZKCNQEPT-ZETCQYMHSA-N 283.244 -0.352 50 20 CBGD CCN1CCO[C@@H](C(=O)NNC(=O)c2cccn2C)C1 369945275 VWIBUHWVVHCXQD-LLVKDONJSA-N 280.328 -0.493 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1NC(=O)O[C@@H]1C 496973620 IYCHSDPNNGUEPB-RITPCOANSA-N 258.303 -0.835 50 20 CBGD CCN(CC)C(=O)COc1ccc(B(O)O)cc1 584910338 YWNGMSNFKNNOJH-UHFFFAOYSA-N 251.091 -0.386 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)C1(C(=O)NC2CC2)CC1 584911368 UXJLYYGPHXMZFY-UHFFFAOYSA-N 288.112 -0.636 50 20 CBGD CC(C)N1CCO[C@H](C(=O)Nc2cccc(B(O)O)c2)C1 584914095 PHGHYAVPJIUZIQ-ZDUSSCGKSA-N 292.144 -0.586 50 20 CBGD CC[C@@H](CO)NC(=O)c1cc(B(O)O)ccc1F 584931189 KSNIEYQGARNHRL-QMMMGPOBSA-N 255.054 -0.994 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)CCCO1 584939966 PKJOEZAHQAAIGV-JTQLQIEISA-N 263.102 -0.383 50 20 CBGD C[C@H](CNC(=O)c1ccc(B(O)O)cc1)N(C)C1CC1 584940242 RPXWPGYFYCTLQV-SNVBAGLBSA-N 276.145 -0.421 50 20 CBGD CN(CCN1CCCC1)C(=O)c1ccc(B(O)O)c(F)c1 584943740 MVIIQKFJSAWDBK-UHFFFAOYSA-N 294.135 -0.327 50 20 CBGD O=C(N[C@@H]1CCCC[C@@H]1CO)c1ccc(B(O)O)c(F)c1 584959941 MLVWTKZYPQZGIT-ZWNOBZJWSA-N 295.119 -0.214 50 20 CBGD CC[C@@]1(CO)CCCN1C(=O)c1ccc(B(O)O)cc1 584979410 SWGNXNAECBXPSN-AWEZNQCLSA-N 277.129 -0.257 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCCO[C@@H](CF)C1 585002212 QBHQEDHIUQLGQG-JTQLQIEISA-N 299.082 -0.294 50 20 CBGD CCN(C(=O)c1ccc(B(O)O)c(F)c1)[C@H](C)C#N 585006625 XZKIHXRLZVRKQF-MRVPVSSYSA-N 264.065 -0.120 50 20 CBGD OB(O)c1ccc(CNC[C@H]2CCOC2)c(F)c1 585018507 WYPAVURWNPUSCD-SECBINFHSA-N 253.082 -0.368 50 20 CBGD CNC(=O)CCN(C)CC(=O)NNC(=O)c1cccs1 727833032 JIMDKMBBHRJKBM-UHFFFAOYSA-N 298.368 -0.423 50 20 CBGD O=C1CC(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)=NN1 731866147 YURSNKHYXFLAMX-UHFFFAOYSA-N 299.290 -0.266 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](OCCO)C1 734485537 MFYGAOJZDXHKRX-MNOVXSKESA-N 287.360 -0.594 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](C(=O)O)C1 736848935 YYZYPGWDHQJRDQ-YUMQZZPRSA-N 257.290 -0.661 50 20 CBGD COC(=O)[C@@H]1CCCN1CC(=O)NNC(=O)C(C)(C)C 744387073 WIDYCVYUPCJVFR-VIFPVBQESA-N 285.344 -0.183 50 20 CBGD C[C@H](OC[C@H]1CCCO1)C(=O)NNc1nccn(C)c1=O 747938793 ZMTLNDNJTKTRAM-VHSXEESVSA-N 296.327 -0.193 50 20 CBGD C[C@H](C(=O)NNc1cc(Cl)nc(N)n1)S(C)(=O)=O 753457762 TUMWMXIGNSKWDV-SCSAIBSYSA-N 293.736 -0.412 50 20 CBGD C[C@H](CCS(C)(=O)=O)NC(=O)NNc1cccnn1 762094218 KQDBYBAWFJHFLH-MRVPVSSYSA-N 287.345 -0.074 50 20 CBGD O=C(NNC(=O)[C@H]1CCSC1)C(=O)N1CCCC1 762167933 PPISMSSLUYBGPP-QMMMGPOBSA-N 271.342 -0.491 50 20 CBGD O=C(NNC(=O)[C@@H]1CN2CCCN1CC2)c1ccccn1 763258860 MVPSFDPLSRWOAN-LBPRGKRZSA-N 289.339 -0.768 50 20 CBGD CO[C@@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C(C)C 769803849 ZRYXUSRDTIAHRC-DTWKUNHWSA-N 292.357 -0.761 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCCCS1(=O)=O 773701442 HEDYMZVSXYJYMX-QMMMGPOBSA-N 277.346 -0.354 50 20 CBGD C#C[C@H](N[C@H](C)C(=O)NNC(=O)CC)[C@@H]1CCCO1 775791856 XHXRWNHJWSVIQW-VWYCJHECSA-N 267.329 -0.297 50 20 CBGD O=C(CO)NN=Cc1ccc(-n2cncn2)c(F)c1 776778567 XQVJUKRIBSNDSG-UHFFFAOYSA-N 263.232 -0.151 50 20 CBGD COC(=O)c1cn(CC(=O)NN=c2cc[nH]cc2)nn1 781020685 DDOUIBBVDUZGJE-UHFFFAOYSA-N 276.256 -0.975 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CO[C@H](C)C1 784144540 JDFSVNZBKIFLLH-HTQZYQBOSA-N 257.290 -0.917 50 20 CBGD CS(=O)(=O)C1(C(=O)NNC(=O)c2ccncc2)CCC1 792761764 HBSUCHOHIMWGNP-UHFFFAOYSA-N 297.336 -0.190 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)CC1=O 802029077 LPYINWRVMVJSPD-VIFPVBQESA-N 291.311 -0.475 50 20 CBGD N#Cc1ncn(CCNC(=O)NNC(=O)c2ccccc2)n1 804891479 CMTHWYDBVUUZFN-UHFFFAOYSA-N 299.294 -0.206 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCSC2)CC1 807383027 YZAUSFHAGQOKTO-SECBINFHSA-N 272.374 -0.272 50 20 CBGD CC(=NNC(=O)N1CCOCC1)c1cnnn1C 814819723 HWLCGRBEWGCXRG-UHFFFAOYSA-N 252.278 -0.419 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CC[C@@]1(C)CCC(=O)N1 823939231 HGGUWTWYSLNYDO-JOYOIKCWSA-N 257.334 -0.221 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@](C)(O)C1CC1 843970823 LTWCUCZUKQRNKM-VMAXQDLPSA-N 256.302 -0.280 50 20 CBGD C[C@@H](CC(=O)NNC(=O)C(=O)N1CCCC1)n1ccnc1 845353799 HFAHZZQXRVBCAD-JTQLQIEISA-N 293.327 -0.396 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H]1C[C@@H](O)C1(C)C 846953303 ABEMCTJMRRVMQN-DJLDLDEBSA-N 257.334 -0.319 50 20 CBGD CN(C)C[C@@H](CO)NC(=O)/C(C#N)=C/c1cnn(C)c1 854466180 XWKNAIODBXCHQI-QNCMIEPLSA-N 277.328 -0.634 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CCCN1c1ncccn1 854926956 QVGYUMWXSILAGB-VIFPVBQESA-N 294.384 -0.087 50 20 CBGD CS(=O)(=O)NCCC(=O)NNc1ncc(F)cc1F 857532168 JLNQDFBKACZWIF-UHFFFAOYSA-N 294.283 -0.258 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H](CO)CC2CCC2)N1 858699461 QNLOIPCJCAJKKJ-ZJUUUORDSA-N 298.343 -0.854 50 20 CBGD CCC(CC)(CO)C(=O)NNC(=O)c1cn[nH]c1 862470064 YPURYWUDTFTWPB-UHFFFAOYSA-N 254.290 -0.031 50 20 CBGD CC(C)(C)n1nnc(C=NNC(=O)c2cn[nH]c2)n1 863152371 QHSRLUXSIXZNMF-UHFFFAOYSA-N 262.277 -0.085 50 20 CBGD CC(C)OCCCC(=O)NNC(=O)CS(C)(=O)=O 863464501 HCUZGJHPAWWWNG-UHFFFAOYSA-N 280.346 -0.616 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC2(CC1)OCCO2 863870154 YIWOUNXPPHJERQ-UHFFFAOYSA-N 291.112 -0.655 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CC12CCC2 869908218 KWIZIWSWUNISKW-SECBINFHSA-N 256.302 -0.013 50 20 CBGD CN1C(=O)CS/C1=C/C(=O)NNC(=O)NCC1CC1 874194501 UMUBUDCNDXUDHB-ONNFQVAWSA-N 284.341 -0.227 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)N2CCOC[C@H]2CCO)cn1 889880162 GKTDQYWABJHRLC-XEVNVYFWSA-N 290.323 -0.063 50 20 CBGD O=C(NNc1cccnn1)C1CN([C@H]2CCOC2)C1 896455350 OSAFJPRMEBDPFN-JTQLQIEISA-N 263.301 -0.360 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC/C=C\Cl)N1 899033446 DWBDNQSTWXCNPQ-WEHGFYHGSA-N 260.681 -0.652 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@]2(C)C[C@H](O)CN2C)n1 900075687 BVWWSQJBARAPOF-GWCFXTLKSA-N 279.344 -0.008 50 20 CBGD O=C(O)[C@H]1CCC[C@H]1NCc1cccc(B(O)O)c1 901483693 UWIBNYOBCWORHQ-NWDGAFQWSA-N 263.102 -0.291 50 20 CBGD COc1cc(OC)c(C=NNC(=O)C(N)=O)c(OC)c1 916272368 PDKOXCUABTWVLV-UHFFFAOYSA-N 281.268 -0.352 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@@H](N(C)C)[C@H]1C 931036893 JAVKVJDPJAOOKP-GHMZBOCLSA-N 270.377 -0.186 50 20 CBGD CCn1nc(C)c(C(=O)NNC(=O)C(=O)NC(C)C)c1C 1115958115 NXSCQVOKTFKKLI-UHFFFAOYSA-N 295.343 -0.195 50 20 CBGD CN(C)C(=O)c1ccc(C(=O)NNC(=O)CO)cc1 1116554189 JOZDMQHUNWSNBT-UHFFFAOYSA-N 265.269 -0.858 50 20 CBGD C[C@@H](NNC(=O)[C@@H]1CC[C@H](C(N)=O)O1)C(F)(F)F 1118943932 OKCJLRVDMCISTM-PBXRRBTRSA-N 269.223 -0.409 50 20 CBGD Cc1nnc(NNC(=O)COC[C@@H]2CCCO2)nc1O 1318166792 VLPWWSJYQITYHQ-QMMMGPOBSA-N 283.288 -0.476 50 20 CBGD CCCNC(=O)NNC(=O)c1cccc(=O)n1C 1320213206 VMVCPKPDPMNLHZ-UHFFFAOYSA-N 252.274 -0.261 50 20 CBGD Cn1nncc1NNC(=O)c1nccn2ccnc12 1324336558 ZWIDWKYVAYMSHE-UHFFFAOYSA-N 258.245 -0.385 50 20 CBGD CNc1ccc(C(=O)NNc2nccn(C)c2=O)cn1 1324857161 BNHXPXJRZGHOMK-UHFFFAOYSA-N 274.284 -0.026 50 20 CBGD O=C(c1cnn(C(F)F)c1)N1CC[C@H](B(O)O)C1 1330261974 KCEILCTVAPQOAU-ZETCQYMHSA-N 259.021 -0.033 50 20 CBGD COC(=O)C(=O)NN=Cc1cc(O)c(O)c(OC)c1 1339878680 BLBGPFODZOAAJP-UHFFFAOYSA-N 268.225 -0.271 50 20 CBGD CC1=NO[C@](C)(C(=O)NNC(=O)N2CCOCC2)C1 1346762987 JLLZKIVWAMQZMN-NSHDSACASA-N 270.289 -0.386 50 20 CBGD CCCn1nccc1C(=O)NNC(=O)C(=O)NC1CC1 1347903077 ZBVYTAKUCZEVGM-UHFFFAOYSA-N 279.300 -0.667 50 20 CBGD O=C(NNC(=O)C1CCOCC1)c1ncccn1 1350292956 FWALYBSMKSKGEQ-UHFFFAOYSA-N 250.258 -0.336 50 20 CBGD CCn1ncc(C=NNC(=O)[C@H]2CCC(=O)N2)n1 1351649893 CKJSMNRKLJQBLF-MRVPVSSYSA-N 250.262 -0.973 50 20 CBGD C#CC[C@@]1(C(=O)NNc2cc(C)nc(N)n2)CCCN1 1574525615 OIQGFAZVTXMDEM-ZDUSSCGKSA-N 274.328 -0.044 50 20 CBGD C=CCCC[C@H](N)C(=O)NNC(=O)[C@@H]1COCCO1 1574908396 MMXQPBUUIAQRQG-UWVGGRQHSA-N 271.317 -0.767 50 20 CBGD C=CCNC(=S)NNC(=O)[C@]12CC[C@H]1CNC2 1574943681 REDYJWKLKOSWNA-KWQFWETISA-N 254.359 -0.333 50 20 CBGD CC(C)C(=O)NNC(=O)CN[C@@H]1CCCC[C@H]1N 1575399290 VFXOZYIKIVYOCJ-NXEZZACHSA-N 256.350 -0.351 50 20 CBGD CC1(C)C[C@]1(C(=O)O)C(=O)NNC(=O)NC1CC1 1589218625 AFFFKTZDYFSVSW-LLVKDONJSA-N 255.274 -0.020 50 20 CBGD Cc1ccnc(N2CC[C@@H](B(O)O)C2)c1-c1nn[nH]n1 1592274149 MRCHMYTZEINUKV-MRVPVSSYSA-N 274.093 -0.377 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)N[C@H]1CCOC1 1593164328 BXSLJYPPPHUSPW-QMMMGPOBSA-N 290.287 -0.323 50 20 CBGD O=C(N[C@H]1CCC[C@H]1C(=O)O)c1cccc(B(O)O)c1 1594789137 WUIALHQWKZKVRC-MNOVXSKESA-N 277.085 -0.651 50 20 CBGD C[C@H](CO)N(C)NC(=O)CCc1ocnc1C(=O)O 1604203118 OKJJONRUWPCKRD-SSDOTTSWSA-N 271.273 -0.351 50 20 CBGD CN(CCO)c1ccc(C=NNC(=O)C(=O)O)cc1 1610118049 IQPGBFDCUKDLOX-UHFFFAOYSA-N 265.269 -0.350 50 20 CBGD CNC(=O)NNC(=O)c1cnc2c(c1)c(C)nn2C 48950463 LBYFXEDWKVUAJG-UHFFFAOYSA-N 262.273 -0.149 50 20 CBGD CN(CC(=O)NNC(=O)c1ccccc1)CC(=O)N(C)C 72701293 URQJFZLZKFWDSG-UHFFFAOYSA-N 292.339 -0.532 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)CC(=O)NC1CC1 111194926 APVTYTWHSQCKAW-QMMMGPOBSA-N 270.333 -0.857 50 20 CBGD CCc1nn(C)c(Cl)c1C(=O)NNC(=O)CN(C)C 155788086 YAWYRYCZEZPJGT-UHFFFAOYSA-N 287.751 -0.042 50 20 CBGD Cn1nnc2ccc(C(=O)NNC(=O)[C@@H]3CCCO3)cc21 292189414 RHKLTZYWOOIDLL-NSHDSACASA-N 289.295 -0.092 50 20 CBGD O=S(=O)(CBr)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 307416506 KKFRDDYWLZTDAH-ZMONIFLSSA-N 270.148 -0.161 50 20 CBGD CCOC(=O)NNC(=O)Nc1ccn(CC(=O)OC)n1 494473679 VUORCMYVWRJMOU-UHFFFAOYSA-N 285.260 -0.161 50 20 CBGD CC(C)C[C@H](O)CNC(=O)c1cc(B(O)O)ccc1F 584959526 IAYKXONYEACVMK-JTQLQIEISA-N 283.108 -0.358 50 20 CBGD O=C(NC[C@@H](O)C1CCCC1)c1ccc(B(O)O)cc1 584960530 RBTRITHXPFZOMT-CYBMUJFWSA-N 277.129 -0.353 50 20 CBGD CC[C@H](CCO)NC(=O)c1ccc(B(O)O)c(F)c1 584963871 ZJTWKWYZXGFASL-SECBINFHSA-N 269.081 -0.604 50 20 CBGD CC(C)(O)[C@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F 584966154 ZLAIXVQTGVIFDU-GFCCVEGCSA-N 295.119 -0.119 50 20 CBGD C[C@@H](CNC(=O)c1cc(B(O)O)ccc1F)CN(C)C 584992907 SRKXTOCWDYNMEJ-VIFPVBQESA-N 282.124 -0.567 50 20 CBGD O=C(N[C@H]1CCC[C@H]1CO)c1ccc(B(O)O)cc1 584998222 CPACWVXEKKJUGK-JQWIXIFHSA-N 263.102 -0.743 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@H]2CCOC[C@H]2C1 585004999 UPYCNWXNQKTIHU-GHMZBOCLSA-N 293.103 -0.386 50 20 CBGD O=C1CCC[C@@H](CNCc2cccc(B(O)O)c2)N1 585038885 MGDNWYUURRJOSU-LBPRGKRZSA-N 262.118 -0.875 50 20 CBGD COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NCB(O)O)c1 585063435 ZDYICBZMOVMHCP-GXSJLCMTSA-N 279.101 -0.065 50 20 CBGD O=C(O)NCCCC(=O)NNC(=O)NCC1CC1 739957381 STVCPKWUZVSSPE-UHFFFAOYSA-N 258.278 -0.225 50 20 CBGD CC(C)NC(=O)NNS(=O)(=O)N1CCCCC1 742028648 YOZSLOMWZLRDJK-UHFFFAOYSA-N 264.351 -0.071 50 20 CBGD C[C@H](C(=O)NNC(=O)C1CC1)N1CCN(C)CC1 750659292 NCJWUCRRRDPIRG-SECBINFHSA-N 254.334 -0.820 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O 753438394 DMDKWCGONVDHDY-SNVBAGLBSA-N 295.270 -0.682 50 20 CBGD CN(CC(=O)NNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 753564251 QQESWHUXWVSFOF-SNVBAGLBSA-N 298.368 -0.356 50 20 CBGD CN(C)C(=O)NNC(=O)CS(=O)(=O)C(C)(C)C 767351065 SPCUCXPGEVFUEA-UHFFFAOYSA-N 265.335 -0.498 50 20 CBGD CC(C)CCn1cc(C(=O)NNC(=O)C(C)(C)O)nn1 768258972 BTTJDZKQNVTEOU-UHFFFAOYSA-N 283.332 -0.144 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc(NC(N)=O)cc1 768260335 BCUTZSMDLQINBZ-UHFFFAOYSA-N 280.284 -0.291 50 20 CBGD C[C@H](O)C(=O)NNc1ccccc1S(C)(=O)=O 787126226 MBFSTLOXYCTELD-ZETCQYMHSA-N 258.299 -0.086 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=CCC1CCOCC1 788713930 MIWAGTXIZTVMIR-VIFPVBQESA-N 291.373 -0.157 50 20 CBGD C[C@H]1COC(=O)C1=NNC(=O)[C@H]1CCS(=O)(=O)C1 794889626 UHTIWAKULDMIAG-BQBZGAKWSA-N 274.298 -0.914 50 20 CBGD Cc1noc(CCC(=O)NNC(=O)N=c2cc[nH]cc2)n1 802034106 AQRWHAXKPUFNFT-UHFFFAOYSA-N 290.283 -0.020 50 20 CBGD COCCN(C)NC(=O)[C@H](C)Sc1nncn1C 819745368 ZROOHDHJVBTZMV-QMMMGPOBSA-N 273.362 -0.095 50 20 CBGD CNC(=O)NNC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C 823425187 OHIOQQMALBMJTI-MRVPVSSYSA-N 292.361 -0.947 50 20 CBGD CCN(CCO)NC(=O)c1cnc2n(c1=O)CCS2 823837466 CNDXRENUJKLYRX-UHFFFAOYSA-N 284.341 -0.692 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2C[C@@H]2C(=O)O)n1 831972819 RGXVXTDQXTXWLJ-RQJHMYQMSA-N 266.257 -0.043 50 20 CBGD COCC1(CC(=O)NNC(=O)c2cnn(C)c2)CC1 843550494 CWGUGBIWXHJZFX-UHFFFAOYSA-N 266.301 -0.002 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CN1CCCC1=O 843645411 HQILHJXVLXLSJI-DTWKUNHWSA-N 269.301 -0.819 50 20 CBGD Cc1nccn1CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843971199 PNARROLIYQVXMC-SCZZXKLOSA-N 266.301 -0.236 50 20 CBGD Cn1cc(C(=O)NNS(=O)(=O)CCC(C)(C)C#N)cn1 844655096 QCDSTLWAHGHQJD-UHFFFAOYSA-N 299.356 -0.076 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@H](C(=O)O)C1CCC1 854238171 RIMWOAFRPGGJQC-VIFPVBQESA-N 287.316 -0.146 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccc(C#N)n1C 854921533 KVFSZUHPWAFJIG-UHFFFAOYSA-N 251.315 -0.022 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=S)N[C@H](C)C1CC1 855103481 WKMOWTIYUQXREY-SSDOTTSWSA-N 288.373 -0.022 50 20 CBGD COC(=O)N[C@H](C(=O)NNC(=O)c1cc[nH]n1)C(C)C 855358165 ABASOEFZWOXKFE-QMMMGPOBSA-N 283.288 -0.449 50 20 CBGD C=CC[C@@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858230400 XPDDEMRGJZJNFH-HTQZYQBOSA-N 254.290 -0.440 50 20 CBGD CCS(=O)(=O)NCC(=O)NN[C@H](C)C(F)(F)F 862314890 LSRAYEYQGOGZQR-RXMQYKEDSA-N 277.268 -0.503 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)co1 862462013 STAZCWYBRFEZRX-QMMMGPOBSA-N 251.242 -0.372 50 20 CBGD C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)c1cn[nH]c1 862470968 ZRGZXOXKNRVBCG-OOZYFLPDSA-N 252.274 -0.016 50 20 CBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)c1cn[nH]c1 862472802 STBDDSBLBNDFOF-ZCFIWIBFSA-N 254.246 -0.630 50 20 CBGD O=C1CC[C@H](C(=O)NN=Cc2ccc(F)nc2)N1 863153163 OGFUBFYTEFDINE-MRVPVSSYSA-N 250.233 -0.051 50 20 CBGD COC(=O)C1(C)CN(C(=O)c2cccc(B(O)O)c2)C1 863884694 QDDGEVYAIMTDEN-UHFFFAOYSA-N 277.085 -0.999 50 20 CBGD COC(OC)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 873752066 ZGKGDNIXJSRGPO-SNVBAGLBSA-N 296.279 -0.407 50 20 CBGD COC(=O)N(C)NC(=O)NCCN1CCCOCC1 875618287 GRGCBZGVIOLLHH-UHFFFAOYSA-N 274.321 -0.379 50 20 CBGD CCCN(C(=O)c1ccc(B(O)O)cc1)[C@@H](C)C(=O)OC 888606045 NWWSELSBNCUFLB-JTQLQIEISA-N 293.128 -0.220 50 20 CBGD CCn1nc(C2CC2)cc1C(=O)NNC(=O)CO 897605623 GQQFBDYUCZGLSE-UHFFFAOYSA-N 252.274 -0.466 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cnc(N(C)C)cn1 910156703 WIOKPXMNPGLESB-QMMMGPOBSA-N 253.306 -0.500 50 20 CBGD NC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=S)NCC1CCC1 912100651 DEJJRYUSFRQOIV-SFYZADRCSA-N 270.358 -0.597 50 20 CBGD O=C(Cc1ccc(F)cc1)NNC(=O)[C@@H]1CCC(=O)N1 913156200 SQIDTNLAOMVNDO-JTQLQIEISA-N 279.271 -0.206 50 20 CBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(C)=O)C1 920429921 DREFCHPVYWGFTC-SECBINFHSA-N 277.346 -0.785 50 20 CBGD CN(NC(=O)C1CCN(S(N)(=O)=O)CC1)C1CC1 1118154240 QHUWYGRDICMWKW-UHFFFAOYSA-N 276.362 -0.973 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1cccnn1 1118856510 UWMVRERRFOGHEX-UHFFFAOYSA-N 295.299 -0.238 50 20 CBGD Cc1nc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)co1 1118885196 WTMYDSITQXINMI-LURJTMIESA-N 252.230 -0.977 50 20 CBGD CC(=O)N1CCC(C(=O)NNC(=O)N2CCOCC2)CC1 1251346448 BIYSYZCCEPDCNT-UHFFFAOYSA-N 298.343 -0.682 50 20 CBGD CO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccccn1 1252886707 WQIVILXANYLERB-ZETCQYMHSA-N 266.257 -0.798 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC1(N(C)C)CCCC1 1318943850 XWFIHHLJSAGWOQ-UHFFFAOYSA-N 286.332 -0.636 50 20 CBGD CCNC(=O)N(C)NC(=O)c1c[nH]c(C(N)=O)c1 1320199377 CYKGPOOQEFJEQN-UHFFFAOYSA-N 253.262 -0.580 50 20 CBGD CC1(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CC1 1323858138 XGNSHUXJPDGAMN-ZETCQYMHSA-N 260.315 -0.631 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1c([N+](=O)[O-])cnn1C 1326383635 SDQOMRRCUYXSSS-NKWVEPMBSA-N 297.271 -0.486 50 20 CBGD CC(C)n1ccc(NC(=O)C(=O)NNC(=O)C2CC2)n1 1326900763 UKXDTUZUHSCQDZ-UHFFFAOYSA-N 279.300 -0.040 50 20 CBGD Cc1nn(C)cc1C(=O)NNC(=O)c1cnn(C)c1 1328652552 FDWFKCATHVYYSB-UHFFFAOYSA-N 262.273 -0.463 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H](F)C(F)(F)F)N1 1329201722 OLGBHCMQJONONT-WVZVXSGGSA-N 271.170 -0.687 50 20 CBGD O=C(CO[C@H]1CCOC1)NNc1ncncc1F 1330550858 FSLBJDCMTWUVCW-ZETCQYMHSA-N 256.237 -0.136 50 20 CBGD O=C(CC1CCOCC1)NNC(=O)[C@H]1CCC(=O)N1 1331614961 JYNWHGWFKDPJPJ-SECBINFHSA-N 269.301 -0.771 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1cc(C#N)ccc1F 1332272895 BNWLSEVWEHBMTJ-UHFFFAOYSA-N 294.242 -0.299 50 20 CBGD O=C(CN1C(=O)CNC1=O)NNc1ccc([N+](=O)[O-])cc1 1340911203 LJEAKSRJZNYHJY-UHFFFAOYSA-N 293.239 -0.410 50 20 CBGD COc1cccc(NNC(=O)[C@]2(C)C[C@H](O)CN2)n1 1574041322 GEEOFSWBBTZPIX-UFBFGSQYSA-N 266.301 -0.354 50 20 CBGD CNC[C@@H](O)[C@@H](C)C(=O)NNC(=O)NCC(F)(F)F 1578646133 PWPXJRBFKHYUMJ-PHDIDXHHSA-N 286.254 -0.905 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)nn1 1600932820 RYIGQYRICZSLEJ-NKWVEPMBSA-N 281.272 -0.923 50 20 CBGD O=C1C[C@H](C(=O)NNc2ncccc2C(=O)O)CCN1 1606554949 ABRGGZUQSMJDAT-SSDOTTSWSA-N 278.268 -0.251 50 20 CBGD O=C(NNc1nc[nH]n1)c1cccc(F)c1-c1nn[nH]n1 1606863417 YWPLWDXPXVFURR-UHFFFAOYSA-N 289.234 -0.119 50 20 CBGD COCCO[C@H](C)C(=O)NN=Cc1cc(C(=O)O)no1 1606899932 KYBZTNJWOBRJRW-SSDOTTSWSA-N 285.256 -0.126 50 20 CBGD NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1795525127 BDNMNHNBISFRBS-BKFJMODKSA-N 293.726 -0.931 50 20 CBGD CNC(=O)NNC(=O)Cn1cnc2sccc2c1=O 48949563 IUDWUVCPMYDWBF-UHFFFAOYSA-N 281.297 -0.582 50 20 CBGD O=C(NCCn1cccc1)NNC(=O)[C@@H]1CCCO1 84456433 LWOUMGCVRAVFDT-JTQLQIEISA-N 266.301 -0.003 50 20 CBGD O=S(=O)(CCCCl)N1CCC(O)(CO)CC1 313825982 WQFXLKFYZONUMU-UHFFFAOYSA-N 271.766 -0.236 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2C[C@]23CCOC3)n[nH]1 372053281 MILFRDAMYTUPFQ-PELKAZGASA-N 264.285 -0.094 50 20 CBGD CCO/C=C(\C#N)C(=O)NC[C@@](C)(O)C(=O)OCC 490907359 HFZUYCOWIBBSMV-YPUOHESYSA-N 270.285 -0.139 50 20 CBGD C[C@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CCN1C 584950371 JJWQAHWZCVHTDA-GWCFXTLKSA-N 276.145 -0.421 50 20 CBGD O=C(NC1(CCO)CCC1)c1cccc(B(O)O)c1 584967095 FXDODKKXROMEBO-UHFFFAOYSA-N 263.102 -0.599 50 20 CBGD O=C(N[C@H]1CCO[C@H]1C1CC1)c1cccc(B(O)O)c1 584967859 NTRZTSAODXVVBT-STQMWFEESA-N 275.113 -0.336 50 20 CBGD C[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CC[C@@H]1O 584974367 NVXQWMOKNVTYIW-PELKAZGASA-N 281.092 -0.652 50 20 CBGD CCO[C@@H]1COCC[C@@H]1NC(=O)c1cccc(B(O)O)c1 584974657 HYGQDHIABYFGHJ-QWHCGFSZSA-N 293.128 -0.710 50 20 CBGD C[C@H](CCCO)CNC(=O)c1ccc(B(O)O)c(F)c1 584995991 UIJZPBNSHSMWDN-SECBINFHSA-N 283.108 -0.356 50 20 CBGD C[C@@H](CO[C@H]1CCOC1)NCc1ccc(B(O)O)cc1 585030922 LFZQKANLTJYMIE-FZMZJTMJSA-N 279.145 -0.350 50 20 CBGD CCN1C[C@H](CNCc2ccc(B(O)O)cc2F)CC1=O 585045983 OUECYPIBXQZWBZ-JTQLQIEISA-N 294.135 -0.537 50 20 CBGD CC(=O)c1ccc(Cl)c(S(=O)(=O)NCB(O)O)c1 585056333 STBBJYMUNIOWPY-UHFFFAOYSA-N 291.521 -0.167 50 20 CBGD CS(=O)(=O)N1CCCN(C(=O)CCl)CC1 703149645 AGGAGEKSAJRCBA-UHFFFAOYSA-N 254.739 -0.281 50 20 CBGD CC(=O)NC(C)(C)C(=O)NNC(=O)c1ccncc1 726765392 MAXDLFUDFMHGFG-UHFFFAOYSA-N 264.285 -0.243 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)c1c[nH]nc1C 732087296 ZDLDRTAVLSHSMU-SSDOTTSWSA-N 267.289 -0.606 50 20 CBGD CC(=NNC(=O)C(=O)N1CCCC1)c1cnn(C)c1 748136460 JOJBJEZNIFXQML-UHFFFAOYSA-N 263.301 -0.117 50 20 CBGD COC[C@@H](C)NC(=S)NNC(=O)C(=O)N1CCCC1 748150662 AYYMGBAXNHAWTP-MRVPVSSYSA-N 288.373 -0.861 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(CC)CCS(C)(=O)=O 753200962 CIKUDXVICJITIN-VIFPVBQESA-N 293.389 -0.701 50 20 CBGD CC(C)CC(=O)NNC(=O)NC[C@@H](C)S(C)(=O)=O 754132848 XAVCLMGVPPKJNN-MRVPVSSYSA-N 279.362 -0.204 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=O)NCc1ccco1 754987650 LTVPTCVPPUUCAZ-NSHDSACASA-N 271.273 -0.493 50 20 CBGD CCCCOCC(=O)NNC(=O)C(=O)Nc1ccccn1 758833061 DSCGYPWXQMSUND-UHFFFAOYSA-N 294.311 -0.016 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C[C@H](C)CCC#N 766018926 CEYDEJHHSOXNFO-BDAKNGLRSA-N 274.346 -0.034 50 20 CBGD CC(C)[C@](C)(O)C(=O)NNC(=O)C(=O)N1CCCC1 771288934 HSGHUTBUILBHFZ-LBPRGKRZSA-N 271.317 -0.837 50 20 CBGD O=C(NNc1ncncc1Cl)[C@H]1CN2CCCN1CC2 781831909 RLRHXDLMNZQYNJ-SNVBAGLBSA-N 296.762 -0.037 50 20 CBGD N#CCCCNC(=O)NNC(=O)CNC(=O)c1ccco1 784261764 ALQRVAIBXGIXFA-UHFFFAOYSA-N 293.283 -0.356 50 20 CBGD C=C[C@@](C)(O)CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 792855053 NSDRISIBVJRYSF-CMPLNLGQSA-N 290.385 -0.194 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCC(=O)N1 800244782 KRVUNUJSZHAKMT-JGVFFNPUSA-N 285.300 -0.856 50 20 CBGD CCN(CCO)NC(=O)c1c(C)c(C)nn(C)c1=O 823869184 CHFNOVHQQQRBIL-UHFFFAOYSA-N 268.317 -0.644 50 20 CBGD C[C@H](CO)N(C)NC(=O)COCc1ccccn1 823923302 QYXXCQDKRUNCAV-SNVBAGLBSA-N 253.302 -0.058 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cnc2n(c1=O)CCS2 823982527 ADMUMHPTNIBGKB-SSDOTTSWSA-N 284.341 -0.694 50 20 CBGD CCC[C@H](C(=O)NNC(=O)NC(C)C)S(N)(=O)=O 824404150 LDWJIIZLHLNAAB-SSDOTTSWSA-N 280.350 -0.818 50 20 CBGD COC(=O)C1(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1 826542140 JFUJKFOXQAKRJW-IUCAKERBSA-N 299.327 -0.305 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCC1(CC(N)=O)CC1 826984342 FKPMKLPOYUXECL-RKDXNWHRSA-N 298.343 -0.603 50 20 CBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)Cc1ccccn1 827303927 LPVQGQPYXSYDSN-QMMMGPOBSA-N 265.269 -0.118 50 20 CBGD O=C(CNC(=O)N1CCCC1)NNc1cccnn1 828032875 DYEQAJZIJPLRIQ-UHFFFAOYSA-N 264.289 -0.275 50 20 CBGD COc1cc(CCC(=O)NNC(=O)c2cnn(C)c2)on1 828087095 CQUWONWJPAIBBE-UHFFFAOYSA-N 293.283 -0.190 50 20 CBGD CN1CCC[C@@H]1C(=O)NNC(=O)[C@H]1CCCCO1 833250126 CKXVGACMTJLSEB-NXEZZACHSA-N 255.318 -0.203 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2cncn2C1)c1ccnnc1 844147667 XHLJQIXHRVSXAR-SNVBAGLBSA-N 286.295 -0.303 50 20 CBGD O=S(=O)(CCCCCl)NC[C@H](O)Cn1ccnn1 849399858 QSRNWQXQNQWHTP-VIFPVBQESA-N 296.780 -0.423 50 20 CBGD Cc1cc(C)n(CCC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 862450879 CSPZYNYMHXRHLS-SNVBAGLBSA-N 293.327 -0.684 50 20 CBGD Cn1nc2c(c1C(=O)N1CC[C@@H](B(O)O)C1)CCCC2 864236969 DTAGTVCGZHRMNA-SECBINFHSA-N 277.133 -0.012 50 20 CBGD O=C(CN1C[C@@H]2CC[C@H](C1)N2)NNC(=O)c1cccs1 866679628 IDNVOONEBQOOQA-AOOOYVTPSA-N 294.380 -0.055 50 20 CBGD CCOC(=O)/C(C#N)=C/NCCN1CCNC1=O 887274113 KPCYBCSOQKADDA-CMDGGOBGSA-N 252.274 -0.428 50 20 CBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NN(C)C[C@H](C)O)C2 910146557 JUAPCANHEIAFSN-YFKTTZPYSA-N 297.355 -0.027 50 20 CBGD C[C@@H](O)CN(C)NC(=O)C(=O)c1ccc(O)cc1 910149307 BZLMOGYILUFNSZ-MRVPVSSYSA-N 252.270 -0.081 50 20 CBGD CON=CC(=O)NNc1ccc(-n2ccnc2)nn1 1117598871 UNAKRFNXFBBVBT-UHFFFAOYSA-N 261.245 -0.262 50 20 CBGD CN(C)Cc1cc(C(=O)NNC(=O)C(C)(C)O)no1 1255919269 LPASOOBQQAKIEO-UHFFFAOYSA-N 270.289 -0.732 50 20 CBGD CCn1nnnc1SCC(=O)NNC(=O)C(C)(C)C 1318733910 JBRSWOYNVFNWCZ-UHFFFAOYSA-N 286.361 -0.021 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCCC[C@@H]1N(C)C 1318877035 ONJQIDLCAJOWGT-BDAKNGLRSA-N 286.332 -0.637 50 20 CBGD COC(=O)NNC(=O)CCC[C@@]1(C)NC(=O)NC1=O 1320546804 XJLLEIQKTOSZET-SNVBAGLBSA-N 272.261 -0.858 50 20 CBGD Cc1c(C(=O)NNC(=O)CO)cnn1-c1ccncc1 1325301182 WRUZTKCJURAXDB-UHFFFAOYSA-N 275.268 -0.671 50 20 CBGD COCC#CC(=O)NNC(=O)c1n[nH]c2c1CCCC2 1330720785 UOTCIJIOUNOHMH-UHFFFAOYSA-N 276.296 -0.301 50 20 CBGD O=C(Cc1cncs1)NNC(=O)CN1CCCC1=O 1332706981 KEXHTSZGLJIHJC-UHFFFAOYSA-N 282.325 -0.545 50 20 CBGD N[C@H]1C[C@@H](NC(=O)NNC(=O)COc2ccccc2O)C1 1580423685 JSTVCZJRMDWLBK-DTORHVGOSA-N 294.311 -0.409 50 20 CBGD COC(=O)NNC(=O)Cc1cccc(-c2nn[nH]n2)c1 1591275166 NPSIGOVVTKOKLW-UHFFFAOYSA-N 276.256 -0.204 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)C(=O)O)N1CCC[C@@H](C)C1 1594383692 PJLWFYOMDKODPA-BDAKNGLRSA-N 286.332 -0.478 50 20 CBGD CC[C@@](COC)(NCC(=O)NNC(=O)C1CC1)C(=O)O 1595194498 HSBXKJVUOBWILK-LBPRGKRZSA-N 287.316 -0.987 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O 1596862747 JQNDDUDOHQRKGU-PCGIRMHASA-N 278.268 -0.034 50 20 CBGD O=C(Cn1cc(C(=O)O)cn1)NNC(=O)[C@H]1CCCS1 1601379571 YMILMYAVXPYZMU-MRVPVSSYSA-N 298.324 -0.376 50 20 CBGD CS(=O)(=O)c1ccc(NNC(=O)C(=O)O)cc1 1604939551 VBPJBQOBCQDJKQ-UHFFFAOYSA-N 258.255 -0.382 50 20 CBGD O=C(O)c1cccc(NNC(=O)[C@@H]2CCNC2=O)c1 1608935690 DQMRVTOEPCNKDG-SECBINFHSA-N 263.253 -0.036 50 20 CBGD CN(C)S(=O)(=O)/C(C#N)=C\c1cc(C(=O)O)nn1C 1777033799 SYDMCRIRYZZRNY-YWEYNIOJSA-N 284.297 -0.126 50 20 CBGD CCOC(=O)NNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 48089966 OBXUOIQMYQLCSC-RKDXNWHRSA-N 297.311 -0.061 50 20 CBGD N#CC1(C(=O)NNC(=O)C(=O)NC2CC2)CCCCC1 57384364 DTLZBWVCJAXNBM-UHFFFAOYSA-N 278.312 -0.114 50 20 CBGD CCC[C@H](C)N1C[C@H](C(=O)NNC(=O)NC)CC1=O 97714376 QKSWVXBPIGNIHE-DTWKUNHWSA-N 270.333 -0.016 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCn3ccnc3C2)[nH]n1 119715953 GERFOPUGPCJYCR-VIFPVBQESA-N 288.311 -0.062 50 20 CBGD CCOC(=O)CC(=O)NNC(=O)Cc1ccncc1 267033818 ZIKKTXJLHNDKBA-UHFFFAOYSA-N 265.269 -0.275 50 20 CBGD CC(C)(NS(C)(=O)=O)C(=O)NNc1ccncc1 272527279 IQSOPUMZQUHAHU-UHFFFAOYSA-N 272.330 -0.148 50 20 CBGD CN(NC(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1)C(N)=O 280893565 DFBKKYXLRIIWKP-ZETCQYMHSA-N 286.288 -0.485 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H]2NC(=O)OC[C@H]2C1 493712705 WEGMQVNHSUARKY-BBBLOLIVSA-N 298.343 -0.637 50 20 CBGD C[C@H](NC(=O)c1cc(B(O)O)ccc1F)[C@@H]1CCOC1 584952155 RYXXDLQXNBVXFB-DTWKUNHWSA-N 281.092 -0.340 50 20 CBGD CC(C)C[C@H](O)CNC(=O)c1ccc(B(O)O)cc1 584960230 OJAITUXGRTYERD-LBPRGKRZSA-N 265.118 -0.497 50 20 CBGD CC(C)(CO)NC(=O)c1ccc(B(O)O)c(F)c1 584966630 GPKNQKQVQPONAY-UHFFFAOYSA-N 255.054 -0.994 50 20 CBGD O=C(N[C@H]1CCO[C@H]1C1CC1)c1ccc(B(O)O)cc1 584968190 UGSVUEDCQKKABL-STQMWFEESA-N 275.113 -0.336 50 20 CBGD CN1CC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2C1 584971870 GQYMGSQLNYSCGO-SMDDNHRTSA-N 288.156 -0.467 50 20 CBGD C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)CC[C@H]1O 584975106 SUUMFJIQWSPQNZ-JOYOIKCWSA-N 263.102 -0.791 50 20 CBGD O=C(N[C@@H]1CCCCC[C@H]1O)c1cc(B(O)O)ccc1F 584989786 JFPGEJORJFANRK-CHWSQXEVSA-N 295.119 -0.071 50 20 CBGD Cc1c(C(=O)NCB(O)O)cnn1Cc1ccccc1 585061953 NWEPXZXEDUNMHZ-UHFFFAOYSA-N 273.101 -0.018 50 20 CBGD CN(C)c1ccnc(C(=O)N2CC[C@H](B(O)O)C2)c1 585065836 KQGXCELASOGRPD-VIFPVBQESA-N 263.106 -0.164 50 20 CBGD Cn1c(O)nc2ccc(C(=O)N3CC[C@@H](B(O)O)C3)cc21 585066901 STQKKVSFSUJENO-SECBINFHSA-N 289.100 -0.032 50 20 CBGD CCCCN(C)S(=O)(=O)NNC(=O)C(=O)NC(C)C 739670663 NGTTXXRMWMTJAJ-UHFFFAOYSA-N 294.377 -0.892 50 20 CBGD CN(C)c1nccc(NNC(=O)Cc2cnn(C)c2)n1 740102157 DHEGFRHXSZGKCS-UHFFFAOYSA-N 275.316 -0.038 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNc1ccnc(N(C)C)n1 740114327 UHXCINVNOYUWRA-QMMMGPOBSA-N 280.332 -0.100 50 20 CBGD COC(C)(C)CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 745890051 MWRONXKYLFGKKL-NSHDSACASA-N 293.389 -0.208 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](CO)C1 746461931 GJEVPGWLIKBCKE-GHMZBOCLSA-N 271.361 -0.117 50 20 CBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)c1ccc[nH]1 746819036 KNTKQJRRQMJOLP-ZETCQYMHSA-N 273.314 -0.544 50 20 CBGD O=C(CO)NNC(=O)Cc1ccn(-c2ccccc2)n1 753443811 CBDMJLGCDSQYQY-UHFFFAOYSA-N 274.280 -0.446 50 20 CBGD Cn1cc(C#N)c(NC(=O)NNC(=O)Cc2cc[nH]n2)n1 756872463 UOBRTIGDPQLNKP-UHFFFAOYSA-N 288.271 -0.590 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=c1cc[nH]cc1Cl 757417623 KLQUTCNZPCZOPG-LURJTMIESA-N 292.748 -0.462 50 20 CBGD CCCS(=O)(=O)CC(=O)NNc1ncc(F)cn1 760906800 SVYDGUOBQWVEQL-UHFFFAOYSA-N 276.293 -0.116 50 20 CBGD C[C@H](C=NNC(=O)[C@H](C)NS(C)(=O)=O)CCC#N 766018929 CEYDEJHHSOXNFO-IUCAKERBSA-N 274.346 -0.034 50 20 CBGD Cc1cccc2c(=O)n(CC(=O)NN(C)C(N)=O)cnc12 778415604 NFYZHPVWDYFDQH-UHFFFAOYSA-N 289.295 -0.253 50 20 CBGD CC(C)[C@@H](F)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 784032472 JPGXSGBDOZKIMY-JGVFFNPUSA-N 280.321 -0.437 50 20 CBGD C[C@H]1COC(=O)C1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 794901816 OXXFUJFPRUNYTA-NKWVEPMBSA-N 289.313 -0.978 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CCCc2nn(C)cc21 798929473 UMGXFUQNRXQKTE-ZETCQYMHSA-N 251.290 -0.200 50 20 CBGD O=C(CN1CCSC1=O)NNC(=O)N=c1cc[nH]cc1 802022957 KDMUJHWYEIHYRD-UHFFFAOYSA-N 295.324 -0.175 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@H]2CCC(=O)N2C)nc1 807167401 ZMBLBWFLSKUPIS-SECBINFHSA-N 292.295 -0.068 50 20 CBGD COC(=O)CNC(=O)NN=C1CCS(=O)(=O)CC1 814901088 XXCDTDPPBAUZFM-UHFFFAOYSA-N 277.302 -0.977 50 20 CBGD COCCN(C)NC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F 822843158 INSPQPZYYYMPNA-HTQZYQBOSA-N 297.277 -0.090 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccc(-c2nn[nH]n2)c(F)c1 823948207 HGXYZEFPYMJXNP-UHFFFAOYSA-N 291.246 -0.669 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccnc(-n2cncn2)c1 823964915 GABJUSVFWLPKPY-VIFPVBQESA-N 276.300 -0.380 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CC(=O)N(C2CC2)C1 823977519 YTOPPJGVTQCHFF-BDAKNGLRSA-N 255.318 -0.659 50 20 CBGD COc1ncnc(N)c1C=NNC(=O)[C@H]1CCO[C@H]1C 842557273 VERDKIPHYVJAND-YUMQZZPRSA-N 279.300 -0.058 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCN(C)C1 843970917 MWXZJEJIPLAEIA-GUBZILKMSA-N 255.318 -0.490 50 20 CBGD CN(C)N(C(=O)[C@@H](O)C1CC1)[C@@H]1CCS(=O)(=O)C1 854517131 XKIDUJIPLGVCPX-ZJUUUORDSA-N 276.358 -0.750 50 20 CBGD CNC(=S)N(C)NC(=O)c1c[nH]nc1-c1cnn(C)c1 854919859 HIABFTALMYRQSR-UHFFFAOYSA-N 293.356 -0.109 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NN(C)C(=S)NC 854923587 AXXKAKPHOHRINE-VIFPVBQESA-N 254.359 -0.449 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCN1C=O 855007777 YQHSWELQLFNOBF-GUBZILKMSA-N 269.301 -0.820 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cccc(Cl)n2)N1 857326368 WHGYFZORDSCCCK-ZETCQYMHSA-N 282.687 -0.225 50 20 CBGD CC[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 858695165 DLPAYIBGZMVGHO-RKDXNWHRSA-N 284.316 -0.883 50 20 CBGD CO[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 862452026 SADJZGQRGKUDDG-PWSUYJOCSA-N 291.307 -0.200 50 20 CBGD O=C(C=C1CCCC1)NNC(=O)[C@@H]1CCC(=O)N1 862452735 NLDOAOMQMAXPDW-VIFPVBQESA-N 251.286 -0.087 50 20 CBGD C[C@@H]1CC[C@H](CCC(=O)NNC(=O)[C@H]2CCC(=O)N2)O1 862455930 KPWASTBLZNICPQ-OPRDCNLKSA-N 283.328 -0.240 50 20 CBGD CCOC(=O)[C@H](CC)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862461594 QGJLVUVPXFDTCN-SFYZADRCSA-N 285.300 -0.998 50 20 CBGD CO[C@@H](C)CCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862461747 QYFFRQYRCIAKLF-YUMQZZPRSA-N 257.290 -0.773 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1Cc2ccccc21 863463582 NQYZCIZUVGDMIS-SNVBAGLBSA-N 282.321 -0.482 50 20 CBGD CCOC(=O)C[C@H](C)CNC(=O)c1ccc(B(O)O)cc1 863878192 NYRKMJXOLHLEAT-JTQLQIEISA-N 293.128 -0.315 50 20 CBGD COC(=O)c1ccc(CN2CC[C@H](B(O)O)C2)[nH]1 864234627 XXWUJOVZKVWVHH-QMMMGPOBSA-N 252.079 -0.150 50 20 CBGD COCCOCC(=O)NNC(=O)CSc1ccncc1 869914023 SAZCAJQNWDGZFL-UHFFFAOYSA-N 299.352 -0.016 50 20 CBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)c2cccnn2)CO1 882057550 YGCSAFGOVCWTLA-HTQZYQBOSA-N 250.258 -0.337 50 20 CBGD CO[C@H](C(=O)NNC(=O)c1cccnn1)C1CC1 882058845 IWNUASIRGXVMNM-VIFPVBQESA-N 250.258 -0.337 50 20 CBGD O=C(NNC(=O)C1CCOCC1)c1cnc(S)[nH]1 883068360 QWPKLSIGDBKBTI-UHFFFAOYSA-N 270.314 -0.114 50 20 CBGD CC(C)C(=O)NNC(=O)CCn1cc([N+](=O)[O-])cn1 919838896 RNHGMVDOIXIVQB-UHFFFAOYSA-N 269.261 -0.015 50 20 CBGD C[C@@H]1COCCN1C(=O)NNC(=O)c1cccnn1 1119292693 IXROZGUEJDLXPY-MRVPVSSYSA-N 265.273 -0.448 50 20 CBGD COC(=O)c1ccn(CC(=O)NNC(=S)NC(C)C)n1 1119526966 JJCNPZFQBDINJA-UHFFFAOYSA-N 299.356 -0.427 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=O)Cc1ccncc1 1252473979 JXXZUYAETHBQLD-MRVPVSSYSA-N 264.285 -0.704 50 20 CBGD C=CC(=O)N(C)CC(=O)NNC(=O)C1CCOCC1 1262193928 AWMWCKHYMGRQKL-UHFFFAOYSA-N 269.301 -0.795 50 20 CBGD C[C@@H](C(=O)NNC(=O)N1CCOCC1)n1ccnc1 1318075823 IESQSKXYDFCDFH-VIFPVBQESA-N 267.289 -0.483 50 20 CBGD Cn1ccnc(NNC(=O)CCN2CCCC2=O)c1=O 1318920499 WNMKITKYFBBVOX-UHFFFAOYSA-N 279.300 -0.764 50 20 CBGD CC1(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CCC1 1319097102 ZDDXHYUGLDLLPI-MRVPVSSYSA-N 289.357 -0.306 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CC2 1320224523 SQIZBQDKBJYBBB-UHFFFAOYSA-N 290.279 -0.323 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)NCCn1cncn1 1323040658 PRLIEYWZUUHHNW-UHFFFAOYSA-N 289.299 -0.754 50 20 CBGD CCOC(=O)NNC(=O)c1ccc(C(N)=O)cn1 1324631725 MSDABLJKCRFZQI-UHFFFAOYSA-N 252.230 -0.429 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H]1CCc2nncn2C1 1326187723 OVKNYRMYGKSOBT-QMMMGPOBSA-N 282.373 -0.256 50 20 CBGD Cc1cc(C)n2nc(C(=O)N3CC[C@H](B(O)O)C3)nc2n1 1329214831 KZPGBVBSUPOISR-VIFPVBQESA-N 289.104 -0.570 50 20 CBGD COCc1ncsc1C(=O)N1CC[C@@H](B(O)O)C1 1329294018 VOUPFGSKUCPHSD-SSDOTTSWSA-N 270.119 -0.022 50 20 CBGD CCN(CCO)NC(=O)c1cc(CN(C)C)on1 1329808384 YICVXCBPGDUTNJ-UHFFFAOYSA-N 256.306 -0.305 50 20 CBGD COc1nccc(C=NNC(=O)[C@H]2CCC(=O)N2)n1 1330143379 RRCCVQDEMNMLOS-MRVPVSSYSA-N 263.257 -0.786 50 20 CBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cn[nH]c2)CCO1 1332482433 LTZPMWBPHDPHHP-VXNVDRBHSA-N 267.289 -0.079 50 20 CBGD Cc1cc(C)n2nc(NC(=O)NN(C)C(N)=O)nc2n1 1337274844 SKUVWWFJSMVRQU-UHFFFAOYSA-N 278.276 -0.212 50 20 CBGD C[C@@]1(C(=O)NNC(=O)Cc2ccsc2)C[C@@H](O)CN1 1576351095 WBMUFZMJNYPOPW-SKDRFNHKSA-N 283.353 -0.449 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2[C@H]3CCNC[C@H]32)n[nH]1 1579565767 XFFKKYUUXSVLBX-QXFUBDJGSA-N 263.301 -0.665 50 20 CBGD Cc1ccc(/C=C/C(=O)NNC(=O)[C@H]2CCN2)cn1 1579679596 VJFFACIULJVRKE-SGUJLRQBSA-N 260.297 -0.087 50 20 CBGD Cc1cccc(C(=O)NNC(=O)C[C@]2(O)CCNC2)n1 1579750556 VNQPTXRBVJIRNQ-CYBMUJFWSA-N 278.312 -0.734 50 20 CBGD CC(C)(C)[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)O 1589715475 DJOWBXWYSOELOR-JTQLQIEISA-N 297.091 -0.265 50 20 CBGD O=C(NNc1nc[nH]n1)c1ccc(-c2nn[nH]n2)s1 1593167562 UGNDGKXSTWQNOD-UHFFFAOYSA-N 277.273 -0.197 50 20 CBGD CC[C@H](C(=O)O)C(=O)NNC(=O)Cc1ccncc1 1594755306 GHPNRCIJAUMOEP-VIFPVBQESA-N 265.269 -0.118 50 20 CBGD CCn1ccnc1[C@H](C)NC(=O)NNC(=O)C(=O)O 1597914274 IXKJABVMXURAON-LURJTMIESA-N 269.261 -0.621 50 20 CBGD NC(=O)c1ccccc1C=NNC(=O)NCC(=O)O 1608246388 SEPUYDVDLHJOKU-UHFFFAOYSA-N 264.241 -0.497 50 20 CBGD COc1cc(C(=O)O)ccc1NNC(=O)[C@]1(O)CCOC1 1610285252 DQTXCDVZBRHQIX-ZDUSSCGKSA-N 296.279 -0.012 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=O)c1ccccc1O 49088706 QKFMAEMPGHEFTR-UHFFFAOYSA-N 281.268 -0.149 50 20 CBGD O=C(CO)NNC(=O)C[C@@H]1OCCc2ccccc21 180960630 GQQLERHWHJYYKT-NSHDSACASA-N 264.281 -0.170 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H]1C=CCC1 264131536 MSFRMPMKJNSOAI-RKDXNWHRSA-N 289.357 -0.572 50 20 CBGD CCN(CCOCCO)S(=O)(=O)CBr 308518698 GQIZYACTKWYBLU-UHFFFAOYSA-N 290.179 -0.001 50 20 CBGD CO[C@H](C)CCNC(=O)c1cc(B(O)O)ccc1F 584939136 DZBKXBDWGIUBJY-MRVPVSSYSA-N 269.081 -0.340 50 20 CBGD CC[C@H](CC#N)NC(=O)c1ccc(B(O)O)c(F)c1 584976689 UJYBXCLVSHDNRG-SECBINFHSA-N 264.065 -0.072 50 20 CBGD O=C(NC[C@H](CO)CC1CCC1)c1ccc(B(O)O)cc1 584985176 HUEGYGCTGXJETQ-GFCCVEGCSA-N 291.156 -0.105 50 20 CBGD O=C(NC[C@@H]1CC1(F)F)c1cccc(B(O)O)c1 584999614 FXKOKSABMKVMJQ-QMMMGPOBSA-N 255.029 -0.249 50 20 CBGD OB(O)c1cccc(CNCCCNc2ncccn2)c1 585016495 NZWXJOLHBXIIBW-UHFFFAOYSA-N 286.144 -0.252 50 20 CBGD OC[C@@H]1CC[C@H](CNCc2ccc(B(O)O)cc2F)O1 585042725 GBFHMIXSQVGEJQ-NEPJUHHUSA-N 283.108 -0.865 50 20 CBGD CN(C)[C@@H]1CC[C@H](NCc2ccccc2B(O)O)C1 585050146 SMPBHEZSUXCQIL-QWHCGFSZSA-N 262.162 -0.061 50 20 CBGD CCCCCS(=O)(=O)CC(=O)NNC(=O)NC 728021885 JQXWTBOIOJBPMC-UHFFFAOYSA-N 265.335 -0.448 50 20 CBGD CNC(=O)NNC(=O)COCCNC(=O)OC(C)(C)C 732554116 XXROSDGHQBJBBI-UHFFFAOYSA-N 290.320 -0.512 50 20 CBGD Cc1ncsc1C(=O)NNC(=O)CNC(=O)O 738374336 VNVXJMSSHMILER-UHFFFAOYSA-N 258.259 -0.520 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCC2(C1)OCCO2 744398982 VFJZJXBJCIYUMP-UHFFFAOYSA-N 285.344 -0.371 50 20 CBGD COCCO[C@@H](C)C(=O)NN=Cc1cnn(C)c1 748252028 ACZVKMASQYUFMS-VIFPVBQESA-N 254.290 -0.078 50 20 CBGD C[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)n1cccn1 755270946 YOIZRFDHAUQXQI-MRVPVSSYSA-N 262.273 -0.443 50 20 CBGD CN1CCN(c2ncc(C=NNC(=O)N(C)C)cn2)CC1 755674191 WMPDESHEEMHSSL-UHFFFAOYSA-N 291.359 -0.167 50 20 CBGD COC(=O)N(C)CC(=O)NNc1ncc(F)cn1 760920310 KDQTXGPBQNJZDS-UHFFFAOYSA-N 257.225 -0.243 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)c2cccc(C#N)c2)C1=O 772850117 BSEPCAAXDAZDJR-LLVKDONJSA-N 286.291 -0.202 50 20 CBGD O=C1CN(CCNC(=O)NNc2ccccc2)CCN1 781399025 JMZHAHAMDYUGOY-UHFFFAOYSA-N 277.328 -0.256 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1snnc1C 787998767 BHRZLDQJYJCJFV-UHFFFAOYSA-N 266.286 -0.047 50 20 CBGD COCCC(=O)NNc1ccccc1S(N)(=O)=O 788229102 SERDJBUGRLSMAM-UHFFFAOYSA-N 273.314 -0.186 50 20 CBGD COC[C@H](CO)NC(=O)NNC(=O)c1cccc(C#N)c1 792898088 GLFGNJQUCCGMLD-NSHDSACASA-N 292.295 -0.490 50 20 CBGD CC[C@](C)(C#N)C(=O)NNC(=O)C(=O)NC1CC1 794619787 BVXBACOTTDDLPJ-LLVKDONJSA-N 252.274 -0.648 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)NCC(F)(F)F)CCC1 798314700 XFKMIKXBNMZAOL-UHFFFAOYSA-N 296.249 -0.205 50 20 CBGD C[C@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)N1CCN(C)CC1 807380346 UTCXOTRDERADII-MNOVXSKESA-N 296.371 -0.020 50 20 CBGD O=C(NNC(=O)N1C[C@H]2C[C@H]1C(=O)O2)C1CCCC1 836426846 PECLYDWRLAHWPC-BDAKNGLRSA-N 267.285 -0.083 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CC(=O)N(CCC)C1 840237034 DQCRYFAXNKWZJG-VIFPVBQESA-N 284.385 -0.074 50 20 CBGD C[C@@H]1CC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)CO1 842525753 VUAKKRYLUSDMKX-SFYZADRCSA-N 260.315 -0.298 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCC[C@H](C(N)=O)C1 843970817 LSGRFHCLVYMWHX-NAKRPEOUSA-N 297.355 -0.150 50 20 CBGD COCCN(C)NC(=O)[C@@](C)(O)Cn1ccccc1=O 848378470 SKVINHQBIXVYTN-ZDUSSCGKSA-N 283.328 -0.791 50 20 CBGD CNC(=S)N(C)NC(=O)c1cnc2n1CCC2 854928709 LMGZUDQUVXDLRN-UHFFFAOYSA-N 253.331 -0.090 50 20 CBGD COCC(=O)N(C)CC(=O)NNC(=O)c1cccc(F)n1 856423265 PMSWWSXTHJIRBL-UHFFFAOYSA-N 298.274 -0.914 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cn(C2CC2)nn1 860030751 URAGYTWXDMDMAH-ZETCQYMHSA-N 295.299 -0.284 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)NC[C@@H]1COCCN1 861681415 ILJSGILXGSZLFB-ZCFIWIBFSA-N 284.238 -0.742 50 20 CBGD CC(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862457617 MKYHHEURZNQVON-NSHDSACASA-N 289.291 -0.071 50 20 CBGD CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 862459861 AZTUVKLAAAXFSW-OPRDCNLKSA-N 283.328 -0.382 50 20 CBGD CCO/C=C(/C#N)C(=O)NCCCN1CCC[C@H]1C(N)=O 862647272 HLPXBZGTBCPZCR-WEHUKYGOSA-N 294.355 -0.114 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1CC12CCC2 863462360 MYXLDNMARNQMDB-ZETCQYMHSA-N 260.315 -0.631 50 20 CBGD CCCCNC(=O)NNC(=O)c1cccc(B(O)O)c1 863871473 OTLUXHUEGMHDSE-UHFFFAOYSA-N 279.105 -0.890 50 20 CBGD O=C(NN1CCCCC1)c1cc(B(O)O)ccc1F 863877807 JZPFBTHGSZTJBE-UHFFFAOYSA-N 266.081 -0.364 50 20 CBGD COCCN(CC#N)C(=O)c1cc(B(O)O)ccc1F 863886413 YRZUKBADZKUYAE-UHFFFAOYSA-N 280.064 -0.882 50 20 CBGD CCOC(C)(C)C(=O)NNC(=O)C(=O)NC(C)C 864601859 YJDHGBGAIWEXOF-UHFFFAOYSA-N 259.306 -0.527 50 20 CBGD CCCNC(=O)NNC(=O)[C@]1(CC)CCNC1=O 865022853 KCHFHZOXYUHXSZ-LLVKDONJSA-N 256.306 -0.357 50 20 CBGD CSCCNC(=S)NNC(=O)CCc1cnn[nH]1 867162209 HIKSSJHKFFKNOW-UHFFFAOYSA-N 288.402 -0.404 50 20 CBGD C[C@@]1(C(=O)NNC(=O)NC2CCCC2)CCNC1=O 874244651 OOXLDDSBVVBNJJ-GFCCVEGCSA-N 268.317 -0.214 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)C1CCOCC1 883063461 PSXKPVCEFAZEFH-LBPRGKRZSA-N 279.340 -0.342 50 20 CBGD C[C@H]1C(=O)CCCN1C(=O)c1cccc(B(O)O)c1 885064190 ZYAPRBRIWTWYFP-VIFPVBQESA-N 261.086 -0.440 50 20 CBGD COC(=O)c1cnn(CC(=O)NN(C)C[C@H](C)O)c1 910138899 HHIIONSFAUTEQK-QMMMGPOBSA-N 270.289 -0.987 50 20 CBGD CCC(=O)NNS(=O)(=O)c1cc(C(=O)NC)n(C)c1 914688909 KZXLMERMLGXGMF-UHFFFAOYSA-N 288.329 -0.896 50 20 CBGD Cc1occc1CNC(=O)NNC(=O)C(=O)NC1CC1 919782178 MQOGDZKGCXIKBJ-UHFFFAOYSA-N 280.284 -0.303 50 20 CBGD CC(CCN(C)C)=NNC(=O)N[C@H]1CCS(=O)(=O)C1 920384912 SCQKMOLWLTUPKE-JTQLQIEISA-N 290.389 -0.200 50 20 CBGD CCCNC(=O)NNC(=O)CNC(=O)C(C)(C)C 921042360 ONJIKGAASBINDP-UHFFFAOYSA-N 258.322 -0.111 50 20 CBGD CN(NC(=O)c1cc2c(nc1O)CCC2)C(N)=O 1116528233 TVJBARYWEAHNRR-UHFFFAOYSA-N 250.258 -0.069 50 20 CBGD COCCn1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)n1 1116709333 KSFVSZCKAVFYPK-UHFFFAOYSA-N 292.299 -0.744 50 20 CBGD Cc1cccc(C(=O)NNC(=O)NCc2cnnn2C)n1 1117481995 MQKYQAYBXVHTHD-UHFFFAOYSA-N 289.299 -0.337 50 20 CBGD CS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1 1118916064 JUMPQDBOLOEBRN-SNVBAGLBSA-N 297.141 -0.221 50 20 CBGD CCn1cc(C(=O)C(=O)NN(C)C[C@@H](C)O)cn1 1119643761 FLCGBBBPQRITCY-MRVPVSSYSA-N 254.290 -0.571 50 20 CBGD Cc1nnc(NNC(=O)C[C@H]2CCCO2)nc1O 1317891835 DZTAWLIRUCWBIB-SSDOTTSWSA-N 253.262 -0.102 50 20 CBGD C[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)C(F)(F)F 1318795734 QNBOGCMFJDHMHQ-LURJTMIESA-N 281.234 -0.045 50 20 CBGD COc1cccc(NNC(=O)c2nccnc2C(N)=O)n1 1319949177 GKUWTWOIXYPXPF-UHFFFAOYSA-N 288.267 -0.264 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCCN(C(N)=O)C1 1320287626 BGFRUGQBHLTVBO-MRVPVSSYSA-N 271.321 -0.530 50 20 CBGD C[C@H]1C[C@@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)CO1 1320589262 IYQJPHWEIFPMCN-NKWVEPMBSA-N 292.299 -0.063 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cnc2c(c1)c(C)nn2C 1321254586 RRBJOMZTQWHZKC-UHFFFAOYSA-N 298.328 -0.601 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C 1322247841 DMSOOCRMJPBXFV-DJLDLDEBSA-N 299.327 -0.307 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)Cc2cccnc2)CN1 1326379021 BOFVJZIIQHICMG-SNVBAGLBSA-N 276.296 -0.702 50 20 CBGD Cc1cocc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1330963562 DPQGLEZBGQIUJL-QMMMGPOBSA-N 251.242 -0.372 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNc1cnnn1C 1331133939 YEZRLNYZDTVDQI-UHFFFAOYSA-N 254.294 -0.580 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@H]1C[C@H]2CC[C@H]1O2 1332169584 AZWCFZDQVWMAAP-GMTAPVOTSA-N 286.328 -0.246 50 20 CBGD Cc1nnc2n1C[C@@H](C(=O)NN(C)[C@H](C)CO)CC2 1336010648 JTRADFYVXWRJHO-SCZZXKLOSA-N 267.333 -0.507 50 20 CBGD CCCNC(=O)CCNC(=O)NNC(=O)c1cn[nH]c1 1351328649 GPWNHJFZSBFQRT-UHFFFAOYSA-N 282.304 -0.730 50 20 CBGD Cn1nncc1NNC(=O)[C@H]1NCCc2occc21 1580028631 WQBDHFBHBPSJNR-JTQLQIEISA-N 262.273 -0.262 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CCC1)c1cnsn1 1594779350 QSMLHIPZHAPEQV-UHFFFAOYSA-N 270.270 -0.446 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CC(n2cc(C(=O)O)nn2)C1 1596862080 MPRBJHIYBJASDE-FPLPWBNLSA-N 291.267 -0.196 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@@H]1CCO[C@@H]1C(=O)O 1596864761 WHZGSIVBZHIYGA-BXELRRQVSA-N 254.242 -0.211 50 20 CBGD COc1cc(C(=O)O)ccc1C=NNC(=O)CO 1776052696 JKFZYNBERWTIKD-UHFFFAOYSA-N 252.226 -0.164 50 20 CBGD COCCNC(=O)/C(C#N)=C\c1c(C(=O)O)cnn1C 1776117876 KZEGBTNJCZELHP-YVMONPNESA-N 278.268 -0.212 50 20 CBGD Cc1c(C(=O)NNC(=O)CO)cccc1[N+](=O)[O-] 180950337 DFQNXMMKZSYNOM-UHFFFAOYSA-N 253.214 -0.343 50 20 CBGD COCCCNC(=O)NNC(=O)C(C)(C)NC(=O)OC 264136027 FNJTWWDXDXHIFR-UHFFFAOYSA-N 290.320 -0.512 50 20 CBGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@@H]1CCCO1 270657335 NLAXUHLAXFKNOX-QMMMGPOBSA-N 297.336 -0.196 50 20 CBGD CNc1nnc(CC(=O)NN(C)C(=O)OC)s1 286325549 LEJRPXWKAVXVJW-UHFFFAOYSA-N 259.291 -0.148 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1ccc(O)nc1 299396906 UORLWPAGUDXJHI-UHFFFAOYSA-N 266.257 -0.526 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)c1cccn1C 361088908 XAAFIRFJMNEVJB-LLVKDONJSA-N 280.328 -0.493 50 20 CBGD C[C@@H](O)C(=O)NNc1nnc(-c2ccccn2)s1 365032632 GKMUKDOQKZRPNH-ZCFIWIBFSA-N 265.298 0.424 50 20 CBGD C[C@H](C(=O)NNC(=O)CO)[C@@H](C)NC(=O)OC(C)(C)C 495902722 CSFHOZNFRSKRRN-JGVFFNPUSA-N 289.332 -0.325 50 20 CBGD COCCO[C@@H](C)C(=O)Nc1cccc(B(O)O)c1 584912276 LZMUHMRQXUTKQH-VIFPVBQESA-N 267.090 -0.644 50 20 CBGD CC1(C)CN(C(=O)c2cccc(B(O)O)c2)CCO1 584928570 JPNPTCQEUNZQLG-UHFFFAOYSA-N 263.102 -0.383 50 20 CBGD CCN1CC[C@@H](NC(=O)c2cccc(B(O)O)c2)C[C@@H]1C 584949202 DTDGXCNLCRWJFW-SMDDNHRTSA-N 290.172 -0.031 50 20 CBGD CCC(CC)[C@@H](O)CNC(=O)c1ccc(B(O)O)cc1 584959491 HNSOWQSRIBBXRF-ZDUSSCGKSA-N 279.145 -0.107 50 20 CBGD C[C@H](CO)CCCNC(=O)c1ccc(B(O)O)c(F)c1 584967447 JRGYNYPUGXTRKZ-VIFPVBQESA-N 283.108 -0.356 50 20 CBGD CN(C)CCCN(C)C(=O)c1cccc(B(O)O)c1 584971379 QRKKRTZAXOJEFM-UHFFFAOYSA-N 264.134 -0.610 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@](O)(C2CC2)C1 584982223 FZEQKAZAHNLBOE-CQSZACIVSA-N 293.103 -0.508 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)CC[S@@](=O)C1 584983842 UYAVHACVQOQORF-CFMSYZGJSA-N 295.169 -0.793 50 20 CBGD O=C(N[C@@H](CO)C1CCC1)c1ccc(B(O)O)c(F)c1 585008759 RBGYLGAVJSZIRK-LBPRGKRZSA-N 281.092 -0.604 50 20 CBGD C[C@@H](CCn1cncn1)NCc1ccc(B(O)O)cc1 585018216 SFSZSHNNXVGOBR-NSHDSACASA-N 274.133 -0.474 50 20 CBGD COC[C@H](CNCc1cccc(B(O)O)c1)OC 585034532 JUFFUNFRUKVGIN-LBPRGKRZSA-N 253.107 -0.883 50 20 CBGD OB(O)c1ccccc1CNCCN1CC=CCC1 585039716 UVPMFOXIAPHCAD-UHFFFAOYSA-N 260.146 -0.282 50 20 CBGD CCN(C)C(=O)[C@@H](NCc1ccc(B(O)O)cc1)C(C)C 585043656 QAPNKSYRXGNYLE-AWEZNQCLSA-N 292.188 -0.041 50 20 CBGD CN(C)c1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cn1 585056618 RJTXYKNKWPIFMW-VIFPVBQESA-N 299.161 -0.615 50 20 CBGD CCCCNC(=S)NNC(=O)[C@@H]1CCS(=O)(=O)C1 730595964 BNZZPEKNOKZVIW-MRVPVSSYSA-N 293.414 -0.284 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCOCC2)c1 744384846 QNYVULBJRKXIOH-UHFFFAOYSA-N 288.307 -0.349 50 20 CBGD O=C(NN=C1CCS(=O)(=O)C1)N1CCOCC1 745591335 VHIBEAUULIAWEC-UHFFFAOYSA-N 261.303 -0.797 50 20 CBGD CCN1CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)CC1=O 755293759 HDVQHUXVHIRFBK-NSHDSACASA-N 298.387 -0.268 50 20 CBGD COC(=O)CN(C)[C@H](C)C(=O)NNC(=O)CC(C)C 757082082 QJMCMAGQXPBNGV-SECBINFHSA-N 273.333 -0.327 50 20 CBGD C[C@@H]1CC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)CN1C 761811296 IMRPXRABMPVTCO-BDAKNGLRSA-N 288.373 -0.447 50 20 CBGD Cn1cccc1C(=O)NNC(=O)C(C)(C)C(N)=O 767461925 LPMDKVHLRBDUIE-UHFFFAOYSA-N 252.274 -0.702 50 20 CBGD Cn1cnn(CC(=O)NNc2cccc(C#N)c2)c1=O 778936595 NSJSXJPQVWSNIX-UHFFFAOYSA-N 272.268 -0.403 50 20 CBGD CN1CCN(CC(=O)NNc2ccnc(F)c2)CC1=O 781005001 OZOKEVLGFKEZNR-UHFFFAOYSA-N 281.291 -0.562 50 20 CBGD CO[C@H](C)CCC(=O)NNc1ccc(C(N)=O)nn1 782851358 LAQBVKVXIBNFOI-SSDOTTSWSA-N 267.289 -0.166 50 20 CBGD C[C@@H]1COCCC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1 794495416 AGYURWSUEPDGEG-BDAKNGLRSA-N 289.357 -0.115 50 20 CBGD CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)Cc1cc[nH]n1 796209286 BTNJMOZFOJOIEA-NSHDSACASA-N 293.327 -0.499 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(CCO)C[C@H](C)O 810039993 LCHKTSGHNGKQSE-WDEREUQCSA-N 289.376 -0.757 50 20 CBGD COC(=O)[C@@H]1C[C@H]2CC(=NNC(=O)C(=O)NC3CC3)[C@H]1C2 817322933 OTOHINOCRJYPRD-UJNFCWOMSA-N 293.323 -0.044 50 20 CBGD CC(C)[C@@H](C(=O)NN(C)[C@H](C)CO)N1CCCC1=O 823965492 NPDDRPFADKGBHI-PWSUYJOCSA-N 271.361 -0.023 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)Cc1ncc[nH]1 851873660 ILUWQZZHJOYIAO-QMMMGPOBSA-N 253.306 -0.213 50 20 CBGD CC(C)C[C@H](C(N)=O)C(=O)NNC(=O)c1cc[nH]n1 855355256 UJPSOKGKZMRTJX-SSDOTTSWSA-N 267.289 -0.682 50 20 CBGD C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)c2cc[nH]n2)O1 855355591 AUAAJBMXSVSXKQ-BHNWBGBOSA-N 252.274 -0.016 50 20 CBGD O=C(NNC(=O)[C@H]1CCCc2nn[nH]c21)c1cc[nH]n1 855356137 MBSKIYVJYHFGCO-LURJTMIESA-N 275.272 -0.591 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 855476355 NOVYLUSVMIQSLY-MMIMJOASSA-N 288.325 -0.641 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NOC/C=C\Cl)N1 858476694 NLIXOYBHRLNHIS-WEHGFYHGSA-N 276.680 -0.721 50 20 CBGD CO[C@@H]1CCC[C@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 862459856 AZTUVKLAAAXFSW-AEJSXWLSSA-N 283.328 -0.382 50 20 CBGD CCc1ccccc1CC(=O)NNC(=O)CS(C)(=O)=O 863464462 FICLVGFAIVEHAI-UHFFFAOYSA-N 298.364 -0.017 50 20 CBGD COCCOCC(=O)NNC(=O)C#Cc1cccs1 869906031 ULLVNVYTGVSAOF-UHFFFAOYSA-N 282.321 -0.090 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)N1 880826283 NUDVATFVQRZXFI-WYOJIJJFSA-N 281.312 -0.773 50 20 CBGD Cc1nn(CC(=O)NNC(=O)CN(C)C)c2ncccc12 894134042 HQHVSXIBWZTDEX-UHFFFAOYSA-N 290.327 -0.551 50 20 CBGD C[C@H](O)CN(C)NC(=O)CNC(=O)N1CCCC1 910184401 QKIHUKXBXQZABO-VIFPVBQESA-N 258.322 -0.864 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)C1SCCS1 913731617 PDULQHANNBPXRO-UHFFFAOYSA-N 289.382 -0.438 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H](NC(C)=O)C(C)C 921041744 KQMLHEAPDSIQNC-VIFPVBQESA-N 258.322 -0.113 50 20 CBGD CCCNC(=O)NNC(=O)c1ccc(OC)nn1 1318638004 UEHTWZYXAZNTPA-UHFFFAOYSA-N 253.262 -0.161 50 20 CBGD O=C(CCO)NN=C1CCN(CCN2CCOCC2)CC1 1319067504 ICWDLRDPTSLJHX-UHFFFAOYSA-N 298.387 -0.731 50 20 CBGD COCCNC(=S)NNC(=O)C(=O)Nc1ccccn1 1319092380 UNLKTQUJDOEYRA-UHFFFAOYSA-N 297.340 -0.838 50 20 CBGD COc1nccnc1NNC(=O)C[C@@H]1C=CS(=O)(=O)C1 1320532358 YYXZUKIHNPHPCK-QMMMGPOBSA-N 298.324 -0.123 50 20 CBGD CC(C)NC(=S)NNC(=O)c1cc([N+](=O)[O-])n[nH]1 1322036908 GVKJQWCLSLPIFO-UHFFFAOYSA-N 272.290 -0.165 50 20 CBGD O=C1C[C@H](C(=O)NNc2ncc(F)cn2)CCN1 1324520069 IQQUGBGNTPZQOR-ZCFIWIBFSA-N 253.237 -0.415 50 20 CBGD COCC#CC(=O)NNC(=O)[C@H]1COc2ccccc2O1 1327719615 JHKVHXLOYIKUCM-GFCCVEGCSA-N 290.275 -0.376 50 20 CBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=S)NC(C)C 1328071954 SDKQDLDGTXQYDT-ZETCQYMHSA-N 296.418 -0.782 50 20 CBGD O=C(CCN1C(=O)CCNC1=S)NNC(=O)C1CC1 1329040124 ZVGWUSUQTWXOBY-UHFFFAOYSA-N 284.341 -0.959 50 20 CBGD NC(=O)C(=O)NN=C1C(=O)Nc2c(F)cccc21 1340125828 SISWHAYYUCSGOS-UHFFFAOYSA-N 250.189 -0.917 50 20 CBGD CC(C)[C@H](CO)NC(=O)NNC(=O)[C@H]1CCO[C@H]1C 1343607805 BJJVPRLKSIYSQD-GUBZILKMSA-N 273.333 -0.241 50 20 CBGD C[C@@H](CC(=O)NNC(=O)CS(C)(=O)=O)c1ccncc1 1348435513 FODOKXUOOCLEQV-VIFPVBQESA-N 299.352 -0.233 50 20 CBGD Cc1cc(=NNC(=O)CN2CCC(=O)NC2=O)cc[nH]1 1351716384 MYAXWPVRHOCOCE-UHFFFAOYSA-N 277.284 -0.803 50 20 CBGD C[C@@H](C(=O)N1CC[C@H](B(O)O)C1)c1cnn(C)c1 1351728538 GKXZXOCYNMYOOI-SCZZXKLOSA-N 251.095 -0.401 50 20 CBGD C[C@@]1(C(=O)O)CCCN1C(=O)c1cc(B(O)O)ccc1F 1589184853 HOXMFNWAULQIDL-ZDUSSCGKSA-N 295.075 -0.415 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@@H](OC)C(=O)O)nc1 1593882829 AOSHKPGEXAKDQW-MRVPVSSYSA-N 283.240 -0.589 50 20 CBGD O=C(NNC(=O)[C@@H]1CC(C(=O)O)=NO1)NC1CCCCC1 1594782481 AQPFMGHQNYCAIA-VIFPVBQESA-N 298.299 -0.121 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CO[C@H](CCC(=O)O)C1 1603739716 UIWAEEMSUCJXSE-VHSXEESVSA-N 274.317 -0.398 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNc1ncccc1[N+](=O)[O-] 1604435531 WENKGPNROSWDDE-ZCFIWIBFSA-N 270.201 -0.468 50 20 CBGD COCCN(C)NC(=O)Cn1cccc(C(=O)O)c1=O 1606881039 VPZZUSHTEWWWPV-UHFFFAOYSA-N 283.284 -0.844 50 20 CBGD Cn1nc(C(=O)NNc2ccc(C(=O)O)cn2)cc1O 1608140905 FSDCAPSEUUBDGE-UHFFFAOYSA-N 277.240 -0.024 50 20 CBGD O=C(O)c1cc(C(=O)NNC(=O)c2ccccn2)on1 1610810003 HVJAXMRBNSQKBD-UHFFFAOYSA-N 276.208 -0.157 50 20 CBGD C[C@H]1CN(C)C[C@H](C(=O)NN=Cc2ccc(C(=O)O)[nH]2)O1 1776092643 WWCPAMUOMICGRE-GZMMTYOYSA-N 294.311 -0.118 50 20 CBGD O=C(NNC(=O)c1cccc(-c2nnn[nH]2)c1)NC1CC1 95220792 FMVGINNXHPEXNF-UHFFFAOYSA-N 287.283 -0.027 50 20 CBGD Cc1cc(C(=O)NNC(=O)/C=C/c2cnn(C)c2)[nH]n1 153079751 QEQXQJIZMROTEW-ONEGZZNKSA-N 274.284 -0.074 50 20 CBGD COC(=O)NNC(=O)[C@H](C)n1nnnc1C(C)(C)C 274177932 CLTFPHYIFPLNKO-LURJTMIESA-N 270.293 -0.081 50 20 CBGD O=C(CNC(=O)c1cccc(O)c1)NNC(=O)NC1CC1 275191939 YSMZTWFPWRSIFN-UHFFFAOYSA-N 292.295 -0.385 50 20 CBGD COC(=O)N(C)NC(=O)[C@H]1CCCN(C(C)=O)C1 286370561 NNCCHPDOCUACGU-VIFPVBQESA-N 257.290 -0.026 50 20 CBGD CC[C@H](C(=O)NNC(=O)[C@@H]1CCCO1)C(=O)OC 294178369 WNZDXAYGJFAWGX-SFYZADRCSA-N 258.274 -0.488 50 20 CBGD C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(B(O)O)c2)C1 584912553 GXLZXZFDFTYCNY-SECBINFHSA-N 276.101 -0.827 50 20 CBGD CC[C@@H](O)CCNC(=O)c1cc(B(O)O)ccc1F 584959247 FDZPTMKOPZSMFC-SECBINFHSA-N 269.081 -0.604 50 20 CBGD O=C(N[C@@H]1CCc2n[nH]cc2C1)c1cccc(B(O)O)c1 584963075 OYFWVSJRYLJDNI-GFCCVEGCSA-N 285.112 -0.623 50 20 CBGD C[C@@](CO)(NC(=O)c1ccc(B(O)O)cc1)C1CC1 584963650 WQHMLQJVIFMYNG-ZDUSSCGKSA-N 263.102 -0.743 50 20 CBGD CN(C)C1CCC(NC(=O)c2ccc(B(O)O)cc2)CC1 584999665 HCZAGGLRYWUIQN-UHFFFAOYSA-N 290.172 -0.031 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@H](CCCO)C1 585001031 TXLWTJZKJLRMAH-JTQLQIEISA-N 295.119 -0.260 50 20 CBGD Cn1cc([C@](C)(O)CNCc2cccc(B(O)O)c2)cn1 585024951 IESKKNMQUDFSJH-CQSZACIVSA-N 289.144 -0.903 50 20 CBGD C[C@H]1CCN(CCNCc2cccc(B(O)O)c2)C1 585033907 KDGKQUIFJKUPIN-LBPRGKRZSA-N 262.162 -0.202 50 20 CBGD C[C@@H](CNCc1ccccc1B(O)O)[S@](C)=O 585035606 VYUZSMBITPKFKF-XYZCENFISA-N 255.148 -0.777 50 20 CBGD O=C(NCB(O)O)c1cnc(-c2ccncc2)s1 585061722 YVWDDSRDQYOCQX-UHFFFAOYSA-N 263.087 -0.053 50 20 CBGD O=C(CCN1CCCC1=O)NNC(=O)NC1CC1 727732160 MQCNGTWYJTYKOU-UHFFFAOYSA-N 254.290 -0.508 50 20 CBGD CN1N=C(C(=O)NNC(=S)NCC2CCC2)CCC1=O 727866763 YGXHAAQOOURWKL-UHFFFAOYSA-N 297.384 -0.110 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)c1cnn[nH]1 730782294 LYSHZBYWRRTASG-UHFFFAOYSA-N 277.240 -0.650 50 20 CBGD Cn1cc(C(=O)NNC(=O)CN2CCCCC2=O)cn1 735446007 OTSJJBJFEDUMDM-UHFFFAOYSA-N 279.300 -0.806 50 20 CBGD Cc1cc(NNC(=O)CCNS(C)(=O)=O)nc(C)n1 736719153 VXASBCKHHHWZEW-UHFFFAOYSA-N 287.345 -0.524 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@@H]1C[C@@H]1C(=O)O 739217686 ZPMPYNKOZVQDIJ-DMTCNVIQSA-N 254.164 -0.193 50 20 CBGD CN(C)C(=O)NNC(=O)CSc1nnnn1C1CC1 746006118 OSPIWPSUAQNYKU-UHFFFAOYSA-N 285.333 -0.598 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCn2cnnc2C1 746666706 TUEZLCBEEFBSJN-JTQLQIEISA-N 294.359 -0.324 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cncs1 751205206 YSVAPEDTTWWEKK-UHFFFAOYSA-N 294.292 -0.073 50 20 CBGD Cc1cc(C(=O)NNC(=O)CC[C@@]2(C)CCC(=O)N2)n[nH]1 753432241 XYKVOQZLSUKROB-CYBMUJFWSA-N 293.327 -0.072 50 20 CBGD Cn1nnc2cc(C(=O)NNC(=O)NCC3CC3)cnc21 755161194 CYNSNYYUISKJOL-UHFFFAOYSA-N 289.299 -0.283 50 20 CBGD O=C(NNC(=O)[C@H]1COCCO1)[C@H]1CCCCO1 772155416 ZUWGWADXNWPFDV-RKDXNWHRSA-N 258.274 -0.882 50 20 CBGD Cn1cc([C@H](O)C(=O)NNC(=O)C2CCC2)cn1 773955470 NJXCWXFLEBGVAE-VIFPVBQESA-N 252.274 -0.599 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@@H](C)C#N 781943261 BNKNCOSXSQEXDU-DTWKUNHWSA-N 272.305 -0.472 50 20 CBGD CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)NNC(=O)C(C)(C)C 794578394 YZERNCGWPTZJPO-UWVGGRQHSA-N 298.387 -0.316 50 20 CBGD CC(C)(O)C(=O)NNC(=O)C(C)(C)N1CCOCC1 801219489 KNDXPRPGYOMFPX-UHFFFAOYSA-N 273.333 -0.985 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCCS2)CC1 807382610 HHCQZKRGZIRFBO-SECBINFHSA-N 272.374 -0.130 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](CC(N)=O)C1 808775323 WGIJEOXGDPQOFT-DTWKUNHWSA-N 270.333 -0.870 50 20 CBGD CON=CC(=O)NNC(=O)CNc1ccccc1 809566143 DGVGAOYXADYOGC-UHFFFAOYSA-N 250.258 -0.122 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2CCc3nncn3C2)n1 814295744 DXUAQNZHLZAREC-MRVPVSSYSA-N 289.299 -0.218 50 20 CBGD CS(=O)(=O)N1CCC[C@@H]1C(=O)NNC(=O)CC1CC1 819126866 XFHPWLBCOOBSDN-SECBINFHSA-N 289.357 -0.642 50 20 CBGD CCC(F)(F)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 823435681 ZBRNMLIVISENBL-ZCFIWIBFSA-N 299.299 -0.451 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1nccn2ccnc12 843972926 WJFOKZRHJJCHKR-RKDXNWHRSA-N 289.295 -0.085 50 20 CBGD C=C(C)CONC(=O)NN[C@]1(C)CCS(=O)(=O)C1 845591943 BGKSKWDOESJICK-SNVBAGLBSA-N 277.346 -0.125 50 20 CBGD O=C(NNc1ccccc1F)[C@H]1CCS(=O)(=O)N1 845855158 IAGDCSPFWGJPCV-SECBINFHSA-N 273.289 -0.040 50 20 CBGD COCCCNC(=S)N(C)NC(=O)c1cncnc1 854283940 QNWVGHYLOCKHEC-UHFFFAOYSA-N 283.357 -0.036 50 20 CBGD CNC(=S)N(C)NC(=O)CCSCC(=O)OC 854925145 CTGHBMXEFRLVDI-UHFFFAOYSA-N 279.387 -0.250 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2nccn2C1)c1ncccn1 854952388 KOCDGRBDMSPXCD-SECBINFHSA-N 286.295 -0.303 50 20 CBGD C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NNC(=O)c1cn[nH]c1 858296662 SHTRFQYHFVPVQW-LDYMZIIASA-N 292.343 -0.164 50 20 CBGD O=C1CC[C@@H](C(=O)NNS(=O)(=O)c2ccsc2)N1 863412257 AXBDSSDTTSRDJT-ZETCQYMHSA-N 289.338 -0.664 50 20 CBGD CC(C)CO[C@@H](C)C(=O)NNC(=O)CS(C)(=O)=O 863459929 JQGDCKGSWGKZJS-QMMMGPOBSA-N 280.346 -0.761 50 20 CBGD CCN(CC(=O)OC)C(=O)c1ccc(B(O)O)cc1 863874597 VIHJCZHWOQISFP-UHFFFAOYSA-N 265.074 -0.999 50 20 CBGD COCCOCC(=O)NNC(=O)c1cnc(C)s1 869909189 MEANLKKJWLITDP-UHFFFAOYSA-N 273.314 -0.124 50 20 CBGD CCOCCOCCNC(=O)c1cccc(B(O)O)c1 885749006 LEPKTCRKHOSZES-UHFFFAOYSA-N 281.117 -0.851 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21 906889823 VLCHXCNTLIXGAY-TVYUQYBPSA-N 273.292 -0.003 50 20 CBGD O=C(NCc1ncc2c(n1)CCC2)c1cccc(B(O)O)c1 909642945 ZMIGGJBXZHLAGY-UHFFFAOYSA-N 297.123 -0.425 50 20 CBGD Cc1nnc(NNC(=O)COCc2ccncc2)nc1O 1117382525 FLMFSBSLGUQPLF-UHFFFAOYSA-N 290.283 -0.059 50 20 CBGD Cc1cc(CN(C)C(=O)NNC(=O)[C@H]2CCC(=O)N2)no1 1118864806 UHXCSNIVEOABHD-SECBINFHSA-N 295.299 -0.566 50 20 CBGD O=C(CCCn1cncn1)NNC(=O)c1cn[nH]c1 1262182793 BERXJLODJRYWIT-UHFFFAOYSA-N 263.261 -0.757 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCC(=O)NC1=O 1318408891 CXFALMSBTAVFLO-UHFFFAOYSA-N 270.289 -0.878 50 20 CBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)NCC(F)(F)F 1329065475 ABFQVRAKXVBAED-RFZPGFLSSA-N 282.222 -0.609 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCC(F)(F)C2)N1 1331298470 VLDXYFXJLQVQHI-RNFRBKRXSA-N 290.270 -0.217 50 20 CBGD O=C(Cn1cc(C2CC2)nn1)NNC(=O)c1cn[nH]c1 1331804058 SKFDQMOOUIDRIM-UHFFFAOYSA-N 275.272 -0.660 50 20 CBGD Cc1ccncc1C(=O)NNC(=O)CS(C)(=O)=O 1335365659 CFEAVXIGVYJGNQ-UHFFFAOYSA-N 271.298 -0.804 50 20 CBGD C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNc1cccnn1 1337692112 CFOXTTVMJQDBQH-OIBJUYFYSA-N 279.300 -0.805 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCn2ccnc2C1 1352231130 SRAINTDMDZMWBO-ZJUUUORDSA-N 252.318 -0.211 50 20 CBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@H]1C[C@H]1N 1578423938 OWEKJSLXIUROGV-DTWKUNHWSA-N 298.368 -0.273 50 20 CBGD COc1ccccc1OCCC(=O)NNC(=O)NCCN 1579309992 VMOKMAPXCGJUQB-UHFFFAOYSA-N 296.327 -0.247 50 20 CBGD NNC(=O)[C@H](CCC(N)=O)NC(=O)CCC1CCCC1 1580358482 IXDRJDWQSRENKX-JTQLQIEISA-N 284.360 -0.303 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1NCCc2occc21 1580735666 BWAKCLQKYSHNAM-LLVKDONJSA-N 294.311 -0.461 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cccc(-c2nn[nH]n2)c1 1589881670 AODAQEMIKAXHBL-QMMMGPOBSA-N 276.300 -0.176 50 20 CBGD COCCCNC(=O)NNC(=O)C1(C(=O)O)CCC1 1593994788 RDJAVUZHELGMJK-UHFFFAOYSA-N 273.289 -0.392 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H]1C[C@H]1C(=O)O 1594644082 LCDCDNAQENPBQX-LURQLKTLSA-N 285.300 -0.538 50 20 CBGD O=C(CN[C@H](C[C@H]1CCCO1)C(=O)O)NNC(=O)C1CC1 1601326971 ZIIXQXWUNSNJAT-NXEZZACHSA-N 299.327 -0.844 50 20 CBGD O=C(O)[C@H]1C[C@@H](O)CN1S(=O)(=O)CCCCl 1602221275 RCIHGJLLRILRMI-RNFRBKRXSA-N 271.722 -0.535 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@@](C)(OC)C(=O)O)cc1 1604763933 PZLMKWRFNTYKDV-CYBMUJFWSA-N 296.279 -0.054 50 20 CBGD CNC(=O)NNC(=O)CNC(=O)COc1ccccc1 57292304 BNYAOQMWYUNKHZ-UHFFFAOYSA-N 280.284 -0.858 50 20 CBGD CCOCC(=O)NNC(=O)NC1CCN(CC)CC1 66697619 SFOMUMSKQLALFG-UHFFFAOYSA-N 272.349 -0.162 50 20 CBGD O=C(CCCc1ccccc1)NNC(=O)Cn1cnnn1 68054284 SMLLYZFHYNTISM-UHFFFAOYSA-N 288.311 -0.157 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)c2ccccc2)C1 174368344 LXOUQMNTGQKKNW-LLVKDONJSA-N 263.297 -0.222 50 20 CBGD COCCS(=O)(=O)NNC(=O)c1ccccc1OC 265619894 JQZWEVIASUDJCE-UHFFFAOYSA-N 288.325 -0.094 50 20 CBGD COc1ccccc1C(=O)NCC(=O)NNC(=O)N(C)C 299415035 LURGOZOEFRQOMY-UHFFFAOYSA-N 294.311 -0.273 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(C(=O)OC)CC1 493733747 QXAHADCHAPPKIW-VIFPVBQESA-N 286.332 -0.684 50 20 CBGD CC(C)(C)CC(=O)NCC(=O)Nc1cccc(B(O)O)c1 584909201 AUBLAFLAWKWGHB-UHFFFAOYSA-N 292.144 -0.143 50 20 CBGD CCN1CCO[C@@H](C(=O)Nc2cccc(B(O)O)c2)C1 584912297 MLZPEXQPAXOHDL-GFCCVEGCSA-N 278.117 -0.974 50 20 CBGD CCC[C@H](O)CNC(=O)c1cc(B(O)O)ccc1F 584959917 LXZRRJVCCVGVBM-VIFPVBQESA-N 269.081 -0.604 50 20 CBGD CCOCCOC1CN(C(=O)c2ccc(B(O)O)cc2)C1 584971237 MMEBGJAYUAZPPD-UHFFFAOYSA-N 293.128 -0.756 50 20 CBGD CCC[C@](C)(CO)NC(=O)c1cc(B(O)O)ccc1F 584972358 UQSGFUHCJHSLJE-CYBMUJFWSA-N 283.108 -0.214 50 20 CBGD C[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CC[C@H]1O 584974370 NVXQWMOKNVTYIW-QPUJVOFHSA-N 281.092 -0.652 50 20 CBGD C[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@@H](C)S1=O 584980633 GHRUYKQMLNMDJK-NXEZZACHSA-N 295.169 -0.652 50 20 CBGD O=C(NCc1n[nH]c2c1CCCC2)c1ccc(B(O)O)cc1 584997202 YEYJIRHXECMKMG-UHFFFAOYSA-N 299.139 -0.102 50 20 CBGD O=C1NCCCC[C@@H]1NCc1ccc(B(O)O)cc1 585033814 CXYRQSXEPBXMSP-LBPRGKRZSA-N 262.118 -0.875 50 20 CBGD O=C1C[C@H](NCc2ccc(B(O)O)cc2)[C@H]2CCCCN12 585041448 CSVOWVNLSBJSIL-UONOGXRCSA-N 288.156 -0.391 50 20 CBGD C=CCn1cc(CNCc2ccc(B(O)O)o2)nn1 585048634 UNUJHQOHLBGEHP-UHFFFAOYSA-N 262.078 -0.973 50 20 CBGD CC(C)CN(C)S(=O)(=O)N1CC[C@H](B(O)O)C1 585058079 AAHABVJESFIJOZ-VIFPVBQESA-N 264.156 -0.632 50 20 CBGD C[C@@H]1C[C@H](N)CN1CC(=O)NNC(=O)c1cccs1 702652909 GKOBSCWYNCSHBR-BDAKNGLRSA-N 282.369 -0.069 50 20 CBGD COCCCNC(=O)NNC(=O)C1(C(=O)NC2CC2)CC1 726161149 CVDBLNNKSKUMND-UHFFFAOYSA-N 298.343 -0.588 50 20 CBGD COC(=O)CSCCC(=O)NNC(=O)N(C)C 730774026 OYYHPVZNTCBCGV-UHFFFAOYSA-N 263.319 -0.415 50 20 CBGD CCOCC(=O)NNC(=O)NCC1CCOCC1 731282693 VUUQZBGYRGVIBT-UHFFFAOYSA-N 259.306 -0.220 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)COc2ccc(F)cc2)CC1 731596970 NSCWAWICQJZYDL-UHFFFAOYSA-N 295.270 -0.383 50 20 CBGD CN(C)CCOc1cccc(NC(=O)NNC(=O)CO)c1 755926641 LJBGORFQHWWONJ-UHFFFAOYSA-N 296.327 -0.228 50 20 CBGD CC(=O)NNC(=O)[C@H](C(C)C)N1CCCS1(=O)=O 757697119 VQROLNREWJITCE-VIFPVBQESA-N 277.346 -0.786 50 20 CBGD Cn1ccnc(NC(=O)NNC(=O)c2ccncc2)c1=O 757908119 ZLZBOWPGNKCAIR-UHFFFAOYSA-N 288.267 -0.358 50 20 CBGD O=C(NNS(=O)(=O)CCC1CC1)c1cnccn1 770634899 QCBOSLCKTKPUSI-UHFFFAOYSA-N 270.314 -0.159 50 20 CBGD COc1nccnc1NNC(=O)C(C)(C)C(N)=O 770734374 YWAUULVFZBRCNY-UHFFFAOYSA-N 253.262 -0.560 50 20 CBGD CC(C)(C)OCc1cc(C(=O)NNC(=O)CO)no1 771739375 RLUQLIPNYFDICV-UHFFFAOYSA-N 271.273 -0.257 50 20 CBGD CC(=O)Nc1ccc(C(C)=NNC(=O)C(N)=O)cc1 781577115 VMQMTWRGHBTATA-UHFFFAOYSA-N 262.269 -0.030 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1ncn(C)c1Cl 782478993 WVIKSSLCXZEQKV-UHFFFAOYSA-N 295.752 -0.072 50 20 CBGD C[C@](O)(C(=O)NNC(=O)N=c1cc[nH]cc1)C1CC1 804655504 REFWMBSRAHULSG-GFCCVEGCSA-N 264.285 -0.183 50 20 CBGD NC1(CNCC(=O)NNC(=O)c2cccs2)CCC1 843367270 CNYJPEYEQSBFSK-UHFFFAOYSA-N 282.369 -0.020 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)[C@@H]1CCCCO1 844551681 GFTRQJMWNZWBQH-JTQLQIEISA-N 285.344 -0.135 50 20 CBGD CC[C@H](C)C(=O)NNS(=O)(=O)c1c(N)noc1C 844650092 HMMVRONFTRQRTN-YFKPBYRVSA-N 276.318 -0.079 50 20 CBGD CN(C)S(=O)(=O)N(C)CC(=O)NCC(Cl)Cl 846146835 SCZAKZJWDPAMHA-UHFFFAOYSA-N 292.188 -0.356 50 20 CBGD CN1C[C@H](N(C)CC(=O)NNC(=O)C2CC2)CCC1=O 846921291 ROYUVHVNNUJXOI-SNVBAGLBSA-N 282.344 -0.904 50 20 CBGD Cn1cc(C(=O)NNC(=S)NCC2CC2)cn1 849257032 BGDQACUVUVXZMV-UHFFFAOYSA-N 253.331 -0.061 50 20 CBGD O=C(NNC(=S)NCC1CCC1)[C@@]1(O)CCOC1 855092575 KFNCBDCJEDEZLV-LLVKDONJSA-N 273.358 -0.567 50 20 CBGD CN1C[C@H](C(=O)NNC(=O)OCC(F)(F)F)CC1=O 856025152 LLRRXMARGYNGPU-RXMQYKEDSA-N 283.206 -0.216 50 20 CBGD Cn1cnn(CCC(=O)NNc2ncc(Cl)cn2)c1=O 857358876 KHMJVPGARVTOIS-UHFFFAOYSA-N 297.706 -0.441 50 20 CBGD C=CCOCCNC(=O)NNC(=O)c1cn[nH]c1 858355191 UHVPBGJUQRERMZ-UHFFFAOYSA-N 253.262 -0.444 50 20 CBGD Cc1nn(C)c(C)c1OCC(=O)NNC(=O)c1cn[nH]c1 862472912 XDFCVAJLRGVJSH-UHFFFAOYSA-N 292.299 -0.400 50 20 CBGD COCC(=O)N(C)CC(=O)NNC(=O)c1cc(C)cs1 862477204 CWENIGHGBTZTRZ-UHFFFAOYSA-N 299.352 -0.078 50 20 CBGD O=C1CC[C@H](C(=O)NN=Cc2c[nH]c(C(=O)O)c2)N1 863150148 NWXROKBCACJTOO-SSDOTTSWSA-N 264.241 -0.558 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCN1CC[C@H](O)C1 863831742 NDWOHDZMYNMUOY-USKTWTLRSA-N 253.302 -0.387 50 20 CBGD COC(=O)[C@@H](CC1CC1)NCc1ccccc1B(O)O 863890214 PLKUQCJJTHQWTH-CYBMUJFWSA-N 277.129 -0.202 50 20 CBGD CC1(C)OCC(NCc2ccccc2B(O)O)CO1 863890845 FRMVMJLNRMCBFP-UHFFFAOYSA-N 265.118 -0.393 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N(CCCO)C1CC1 867091679 RKUWDRDBRIXDCC-UHFFFAOYSA-N 263.102 -0.647 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@H]1C[C@@H](O)C1 873835613 YLOVZACTSRKVQF-DTORHVGOSA-N 275.374 -0.369 50 20 CBGD CN1CCN(CC(=O)NNc2ccc(F)cn2)CC1=O 874649618 UZFDAYOPKZQSFV-UHFFFAOYSA-N 281.291 -0.562 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H]1CCCC(=O)N1C 887153116 IOJZIKATFONNKV-JTQLQIEISA-N 265.313 -0.052 50 20 CBGD CCC1CCN(S(=O)(=O)N2CC[C@H](B(O)O)C2)CC1 899571453 XOKMEBUOTJTGMY-NSHDSACASA-N 290.194 -0.098 50 20 CBGD Cc1cc(C(=O)NN(C)C[C@H](C)O)ccc1-n1cnnn1 910174893 ZMIYYQSONFCULV-JTQLQIEISA-N 290.327 -0.072 50 20 CBGD O=C(CCCN1C(=O)CCC1=O)NNc1ncccn1 915640775 CSEYJWCUYNXUPK-UHFFFAOYSA-N 277.284 -0.151 50 20 CBGD CCC[C@H](O)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 936039996 XPBYDSDSQLCRJB-ZJUUUORDSA-N 278.374 -0.360 50 20 CBGD COc1ccnc(NNC(=O)C[C@H]2C=CS(=O)(=O)C2)n1 1116200796 WLAWOFXWZOCZDZ-MRVPVSSYSA-N 298.324 -0.123 50 20 CBGD Cc1cn2c(=O)c(C(=O)NNC(=O)N(C)C)cnc2s1 1254097935 AHBZLERWNVHKRP-UHFFFAOYSA-N 295.324 -0.020 50 20 CBGD COC(=O)NN=Cc1nc2c(c(O)nc(=O)n2C)n1C 1317978849 NTXHSYOWMGMIBF-UHFFFAOYSA-N 280.244 -0.938 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)N1CCCC1 1318077944 ORVCOJDOCYAGST-UHFFFAOYSA-N 265.273 -0.898 50 20 CBGD CCNC(=O)CCC(=O)NNC(=O)Cc1ccncc1 1319327578 WBHJPCYEYIUPHZ-UHFFFAOYSA-N 278.312 -0.312 50 20 CBGD O=C(NN=Cc1nccs1)N[C@H]1CCS(=O)(=O)C1 1324474193 UCXNKFBPRLENJM-ZETCQYMHSA-N 288.354 -0.037 50 20 CBGD CN(CC(=O)N1CCCC1)C(=O)NNC(=O)c1cn[nH]c1 1329192338 FZOUFMAPIJXSBE-UHFFFAOYSA-N 294.315 -0.682 50 20 CBGD CN1CCN(CC2CN(S(=O)(=O)CCl)C2)CC1 1335138085 PAOQOZOESZERSC-UHFFFAOYSA-N 281.809 -0.308 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1335408986 QTPWIPHUVZUGQW-LPEHRKFASA-N 287.385 -0.058 50 20 CBGD CCCn1cc(C(=O)NNc2nccn(C)c2=O)nn1 1336735884 JQOFRTXOCNVOMF-UHFFFAOYSA-N 277.288 -0.461 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)C[C@H]1CCCC(=O)N1 1343688713 GXQFGIYPIXHVQV-MRVPVSSYSA-N 279.300 -0.842 50 20 CBGD CNc1nc(C)cc(C(=O)N2CC[C@H](B(O)O)C2)n1 1348490040 KWZDQBKDCIDUIH-QMMMGPOBSA-N 264.094 -0.484 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cnn(C)c1)[C@H]1CCC(=O)N1 1351441343 GWQATDDGSDHXAW-VXNVDRBHSA-N 279.300 -0.904 50 20 CBGD Cn1cc([C@@H](O)C(=O)NNc2ncccc2C(=O)O)cn1 1594531497 KGKHEMLNWYZPQA-SECBINFHSA-N 291.267 -0.310 50 20 CBGD CC(C)CN(C)CCCNC(=O)NNC(=O)C(=O)O 1603803382 ZSPQWGSWZIWMAJ-UHFFFAOYSA-N 274.321 -0.621 50 20 CBGD COc1cc(S(=O)(=O)NNC(C)=O)ccc1C(=O)O 1607187881 AQESVDXPLQKSAE-UHFFFAOYSA-N 288.281 -0.277 50 20 CBGD CN1C[C@@H](C(=O)NNC(=O)c2ccc(Cl)nc2)CC1=O 131610347 XWTJXRDOSFJDFF-QMMMGPOBSA-N 296.714 -0.026 50 20 CBGD Cc1nn(C)cc1C(=O)NNC(=O)N1CCN(C)CC1 288057909 SRAJVBFNJGCBRA-UHFFFAOYSA-N 280.332 -0.670 50 20 CBGD C#CCO[C@H](C)C(=O)NNC(=S)NCCSC 295028669 VRIFDEKRUGIJOO-MRVPVSSYSA-N 275.399 -0.117 50 20 CBGD CC[C@@H]1CN(C(=O)COc2ccc(B(O)O)cc2)CCO1 584910391 ZKQKPWPHOUQFFB-GFCCVEGCSA-N 293.128 -0.617 50 20 CBGD O=C(NCCCO[C@@H]1CCOC1)c1ccc(B(O)O)cc1 584958688 RBEMSUWMJJYCRX-CYBMUJFWSA-N 293.128 -0.708 50 20 CBGD CO[C@H]1CC[C@@H](NC(=O)c2cc(B(O)O)ccc2F)C1 584980037 OCCZRBLPECHYJZ-ZJUUUORDSA-N 281.092 -0.197 50 20 CBGD CCOC1CC(O)(CNC(=O)c2ccc(B(O)O)cc2)C1 584982752 QCLBCBDBHYNXMP-UHFFFAOYSA-N 293.128 -0.974 50 20 CBGD O=C(NCCC1(CO)CC1)c1cc(B(O)O)ccc1F 584997167 WTTITIPZPVJCJH-UHFFFAOYSA-N 281.092 -0.602 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC[C@H]1O 585007318 WRPBTMHNXRTJKG-JIMOISOXSA-N 277.129 -0.354 50 20 CBGD C[C@H](CN1CCCC1=O)NCc1ccc(B(O)O)o1 585018194 IDSHKURGJROSPC-SECBINFHSA-N 266.106 -0.940 50 20 CBGD O=C(NCCCNCc1ccc(B(O)O)cc1)C1CCC1 585025680 ABTDIGNXTUZDTA-UHFFFAOYSA-N 290.172 -0.238 50 20 CBGD Cc1cc(CNCc2ccc(B(O)O)cc2F)n(C)n1 585042254 NALABIPORGLOEW-UHFFFAOYSA-N 277.108 -0.163 50 20 CBGD CC(C)(CNCc1ccc(B(O)O)o1)C1(O)CCOCC1 585048230 LOOCRVURHZVEPB-UHFFFAOYSA-N 297.160 -0.383 50 20 CBGD COc1ccccc1S(=O)(=O)N1CC[C@H](B(O)O)C1 585060976 NBGDROMQQXIDCO-VIFPVBQESA-N 285.130 -0.067 50 20 CBGD NC(=O)CNC(=S)NNC(=O)c1ccccc1F 727065060 RTWQFTZRAQJFQJ-UHFFFAOYSA-N 270.289 -0.580 50 20 CBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)CO)C1 753438740 ITIYLOYJBKKBQV-HTQZYQBOSA-N 258.274 -0.895 50 20 CBGD O=C(CO)NNC(=O)CN1C(=O)CCc2ccccc21 753439453 OHNLZWKLTCATHX-UHFFFAOYSA-N 277.280 -0.895 50 20 CBGD COc1ccnc(NNC(=O)[C@H]2CCNC(=O)C2)n1 760362516 MDNAEBWAJZAOKX-ZETCQYMHSA-N 265.273 -0.546 50 20 CBGD CN(C)c1ccc2c(c1)N(C)C(=O)C2=NNC(=O)C(N)=O 761742939 KDXKWKFFBZIAIV-UHFFFAOYSA-N 289.295 -0.965 50 20 CBGD COC(=O)Cn1cc(C(C)=NNC(=O)C(C)C)nn1 772837774 YOUXZGLRPCPPHA-UHFFFAOYSA-N 267.289 -0.053 50 20 CBGD COC(=O)CNC(=O)NN=C1C(=O)Nc2cc(F)ccc21 779823159 KVZVPMSGJNKWKE-UHFFFAOYSA-N 294.242 -0.046 50 20 CBGD O=C(NNC(=O)[C@@H](O)C1CCCCC1)C(=O)N1CCCC1 783592506 GBMKJGIRMHIWAO-NSHDSACASA-N 297.355 -0.303 50 20 CBGD C[C@H]1OCC[C@]12CN(CC(=O)NNC(=O)C1CC1)CCO2 791588074 AHYDDJWIPJRBSD-YGRLFVJLSA-N 297.355 -0.576 50 20 CBGD CC(C)Cc1ncc(NC(=O)NNC(=O)CO)cn1 791951047 RETBEPODYVQCSD-UHFFFAOYSA-N 267.289 -0.180 50 20 CBGD C=CCNC(=S)NNC(=O)c1cc(OC)no1 798305815 HXOZCTUGCRXDJW-UHFFFAOYSA-N 256.287 -0.022 50 20 CBGD N#CCNC(=O)CNC(=O)NNc1cncc(Cl)n1 807551805 GBIVLGOWDJZKRY-UHFFFAOYSA-N 283.679 -0.604 50 20 CBGD CC(Cn1cccn1)=NNC(=O)CN1CCCC1=O 814760800 HECKVSQQIRYYTP-UHFFFAOYSA-N 263.301 -0.002 50 20 CBGD O=C(CCN1C(=O)CCC1=O)NNC(=O)CC1CC1 819141475 ZBYQANFABHLANX-UHFFFAOYSA-N 267.285 -0.527 50 20 CBGD CN(NC(=O)CN1C(=O)NC2(CCCC2)C1=O)C1CC1 819641050 MFHIJWKLJSPVNF-UHFFFAOYSA-N 280.328 -0.024 50 20 CBGD CCC(CC)NC(=O)C(=O)NN=C1CCN(CCO)CC1 819808676 QMTRXZDPQKHHIS-UHFFFAOYSA-N 298.387 -0.149 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1COCCN1CC(F)(F)F 821218345 ZHDPHKPGYPSDFX-RKDXNWHRSA-N 299.293 -0.407 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCc2cncn2C1 823922990 NZWIODBOXXSOMK-ZJUUUORDSA-N 252.318 -0.211 50 20 CBGD CCOC(=O)c1cc(C=NNC(=O)COC)[nH]n1 842528136 PVXYTCOFCPMTDT-UHFFFAOYSA-N 254.246 -0.317 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 844620196 SEIKMOWBAJJPTL-PSASIEDQSA-N 285.344 -0.279 50 20 CBGD CNC(=O)NNC(=O)Cn1nnc2c1CCCC2 847384847 UUUKVLHPZFURKD-UHFFFAOYSA-N 252.278 -0.883 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCS1(=O)=O)NC1CCCC1 847399536 LNMROTXAWZCGKJ-VIFPVBQESA-N 289.357 -0.163 50 20 CBGD CN(CC1CC1)S(=O)(=O)NNC(=O)c1cc[nH]n1 849310627 HUOFMDGGUISSLA-UHFFFAOYSA-N 273.318 -0.769 50 20 CBGD Cn1cc([C@@H]2OCCC[C@H]2C=NNC(=O)CO)cn1 853329315 DYJKUQPDUZGMGX-JOYOIKCWSA-N 266.301 -0.018 50 20 CBGD C#C[C@H](CC)NC(=O)NNC(=O)[C@H](C)OCCOC 854073609 YLDBNSNFGWWEGU-VHSXEESVSA-N 271.317 -0.220 50 20 CBGD COCCN(C)NC(=O)c1sccc1S(N)(=O)=O 854409701 KIROLYVISMJYQD-UHFFFAOYSA-N 293.370 -0.382 50 20 CBGD CNC(=S)N(C)NC(=O)Cn1ccccc1=O 854928218 PIGKKLZFCSTBSV-UHFFFAOYSA-N 254.315 -0.684 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1cc[nH]n1 855354329 AEVNBZWHFGCFCH-BHNWBGBOSA-N 250.258 -0.262 50 20 CBGD C=CC(=O)N(C)CC(=O)NNC(=O)C1CCCC1 858430013 VNPSNLDHFGCVTJ-UHFFFAOYSA-N 253.302 -0.032 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)C[C@H]1C[C@@H](O)C1 859970025 NGDYLQIXUUITMG-LPEHRKFASA-N 257.334 -0.365 50 20 CBGD CCCc1nc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)co1 862460447 GQLOCYQUUCJKMB-ZETCQYMHSA-N 280.284 -0.333 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@]1(C2CCCC2)CCNC1=O 863865073 ILUGNRPRMQUHLX-AWEZNQCLSA-N 296.371 -0.608 50 20 CBGD CC(C)OC(=O)CCNC(=O)c1ccc(B(O)O)cc1 863869354 LCEWADBRUYOPLX-UHFFFAOYSA-N 279.101 -0.562 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H](CC(C)C)OC 869906039 UPTBVOZYVLNYSP-SNVBAGLBSA-N 276.333 -0.142 50 20 CBGD CCCN(C(=O)c1ccc(B(O)O)cc1)[C@H](C)C(=O)OC 888606046 NWWSELSBNCUFLB-SNVBAGLBSA-N 293.128 -0.220 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H](C)CN1CCOCC1 916117764 MCFBDAHJPHDLAS-SNVBAGLBSA-N 288.417 -0.142 50 20 CBGD COc1ncccc1C(=O)NNC(=O)CN1CCCC1=O 920435938 QBWWPNWJIFNUHM-UHFFFAOYSA-N 292.295 -0.526 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H]1CCN1C 925430940 RHHOXAXBOLEPBS-AEJSXWLSSA-N 270.333 -0.554 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(CO)CCOCC1 1118214569 SJYAOLOCNYOUQW-VHSXEESVSA-N 286.328 -0.652 50 20 CBGD Cc1ncccc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1318608619 UBFZHAJAVGPGSZ-VIFPVBQESA-N 297.336 -0.414 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1nc(C)cs1 1320232880 SOQCNJKIIXIUNP-UHFFFAOYSA-N 272.286 -0.816 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)C3(O)CCC3)nc21 1321351160 XXPUXCPGAHUHGV-UHFFFAOYSA-N 278.272 -0.573 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@H](O)c1cccnc1 1321848466 FVNBUOYNQBNEKX-CYBMUJFWSA-N 286.291 -0.100 50 20 CBGD CCNC(=O)NNC(=O)Cn1nc2n(c1=O)CCCCC2 1322021253 UORBZZHLXUAEBL-UHFFFAOYSA-N 296.331 -0.879 50 20 CBGD NC(=O)Cn1cc(C(=O)NNc2ccc(F)cc2F)nn1 1323267862 BZBZYFXIILXMKN-UHFFFAOYSA-N 296.237 -0.202 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCn2cnnc2C1 1324184356 RJTPCAFDFUVLQG-MRVPVSSYSA-N 266.305 -0.960 50 20 CBGD CN(Cc1cccnc1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1329191653 NSZPGPANXXHBBZ-SNVBAGLBSA-N 291.311 -0.467 50 20 CBGD C[C@H](N)C[C@@H](C)NC(=O)NNC(=O)c1cnn(C)c1 1329282372 TYFPXYQQBFZXKY-JGVFFNPUSA-N 268.321 -0.510 50 20 CBGD C[C@@H](CO)N(C)NC(=O)Cn1c(=O)oc2ccccc21 1336010924 MCJMLRCNBFGFIZ-VIFPVBQESA-N 279.296 -0.062 50 20 CBGD CCn1cc(C(=O)C(=O)NN(C)[C@H](C)CO)cn1 1352230287 PHYZHDSSZVYWPV-MRVPVSSYSA-N 254.290 -0.571 50 20 CBGD CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)C1CCOCC1 1354138151 MOYNXVUMPGRDBZ-LBPRGKRZSA-N 297.355 -0.039 50 20 CBGD CN(N)C(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O 1573877237 KQNBEDCMNDPJJN-UHFFFAOYSA-N 278.243 -0.180 50 20 CBGD COC(=O)[C@@H](N)CCC(=O)NNC(=O)c1cccnc1 1573928461 YOAWNWXBZPNWPT-VIFPVBQESA-N 280.284 -0.877 50 20 CBGD N[C@@H](C(=O)NNC(=O)c1cnn[nH]1)c1ccccc1 1580364462 PNHJQOQEQSFRHZ-SECBINFHSA-N 260.257 -0.734 50 20 CBGD Nc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)nc1 1580439357 DGOYEOKMCJSFNL-UHFFFAOYSA-N 277.284 -0.953 50 20 CBGD CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1F 1591212071 KAVHSHHFBWSZSS-UHFFFAOYSA-N 279.235 -0.420 50 20 CBGD Cc1nccn1CC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1592417503 KAGGNUNKUGXPKW-UHFFFAOYSA-N 299.298 -0.090 50 20 CBGD C[C@H](CC(=O)O)c1nc(-c2cccc(B(O)O)c2)no1 1592424283 OQBQNWMUQPSBGG-SSDOTTSWSA-N 276.057 -0.005 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCC[C@H](C(=O)O)C1=O 1603706384 QSWCQVMDNQMHFB-QMMMGPOBSA-N 285.300 -0.887 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@H](C(=O)O)CC1)c1cnn[nH]1 1608479210 SMZKDQCRFIDETM-LJGSYFOKSA-N 281.272 -0.543 50 20 CBGD Cn1ncc(C(=O)O)c1C=NNC(=O)c1ccon1 1776106295 YMWQYXNHWJKMFW-UHFFFAOYSA-N 263.213 -0.130 50 20 CBGD C[C@H](NC(=O)NNc1ncccn1)[C@H]1CN(C)CCO1 152449141 BBQIINYGFSNFOX-VHSXEESVSA-N 280.332 -0.178 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CCCS(C)(=O)=O)n1 279808191 NQOMSZRFCGKYSB-UHFFFAOYSA-N 299.352 -0.024 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 299381173 NWNLCWMMJIDBSS-HQJQHLMTSA-N 286.357 -0.257 50 20 CBGD CC(C)N1C[C@H](NC(=O)c2cccc(B(O)O)c2)CC1=O 584938071 IDUJVIDTSIDOFM-GFCCVEGCSA-N 290.128 -0.895 50 20 CBGD CC1(NC(=O)c2ccc(B(O)O)c(F)c2)CCOCC1 584965556 PRKOPCXZDXKZPN-UHFFFAOYSA-N 281.092 -0.196 50 20 CBGD CCCCCN(CC(N)=O)C(=O)c1cccc(B(O)O)c1 584972122 NTNNMMWPSVEJAA-UHFFFAOYSA-N 292.144 -0.516 50 20 CBGD CC(C)(CO)C(C)(C)NC(=O)c1ccc(B(O)O)cc1 584972381 VHCWAFQZAKIVFX-UHFFFAOYSA-N 279.145 -0.107 50 20 CBGD O=C(N[C@H]1CCC[C@H]1CCO)c1ccc(B(O)O)cc1 584974357 NRBCOJZYFCKFHQ-GWCFXTLKSA-N 277.129 -0.353 50 20 CBGD C[C@H]1SCC[C@@H]1NC(=O)c1ccc(B(O)O)cc1 585003577 ULHPPZLCIDEBQL-KCJUWKMLSA-N 265.143 -0.010 50 20 CBGD OB(O)c1ccc(CNCCc2cn3c(n2)SCC3)o1 585037033 RCUCFKBWBXUIER-UHFFFAOYSA-N 293.157 -0.406 50 20 CBGD OB(O)c1ccc(CNC[C@H]2[C@@H]3COC[C@H]23)c(F)c1 585040309 INTIHHHIDYBARY-CNDDSTCGSA-N 265.093 -0.513 50 20 CBGD CCc1ncc(CNCc2ccc(B(O)O)o2)o1 585044419 IDXMZRNPTUULLC-UHFFFAOYSA-N 250.063 -0.200 50 20 CBGD C[C@H](C(=O)NNC(=O)NC1CC1)N1CCN(C)CC1 732912397 MEWWGQUBFNQSPE-SECBINFHSA-N 269.349 -0.885 50 20 CBGD CC1=C(C(=O)NNC(=O)CN(C)C)C(=O)OC1(C)C 733359359 DWCITRHQGUCXJZ-UHFFFAOYSA-N 269.301 -0.653 50 20 CBGD CC(C)NC(=O)NNS(=O)(=O)C[C@H]1CCCO1 735646854 VVRWMUSDAJQFLK-MRVPVSSYSA-N 265.335 -0.293 50 20 CBGD COCCCNC(=O)NNC(=O)C(C)(C)NC(=O)O 737762688 JMTDYTZUKFNGNE-UHFFFAOYSA-N 276.293 -0.601 50 20 CBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)C1CCC1 746245494 DWQXSRVVEDJZTF-UHFFFAOYSA-N 291.373 -0.395 50 20 CBGD O=C(NC[C@H]1CCCS1)NNC(=O)C(=O)NC1CC1 757254650 OTYNMGIBUIFWSN-MRVPVSSYSA-N 286.357 -0.509 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CCCN1C(=O)NC(C)C 760450737 XGVOMFJBFUYKLF-VIFPVBQESA-N 285.348 -0.081 50 20 CBGD CC[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@H]1O 761123177 KRNMGFRLXZPUQL-NXEZZACHSA-N 271.361 -0.117 50 20 CBGD CC(CCO)=NNC(=O)CNC(=O)c1cccnc1 763193513 OXCATZGPOZRXMV-UHFFFAOYSA-N 264.285 -0.314 50 20 CBGD COC(=O)NNS(=O)(=O)c1cccc2nonc12 765016542 WERBHHMPEDDVGJ-UHFFFAOYSA-N 272.242 -0.228 50 20 CBGD O=C(CN1CCS[C@@H]2COCC[C@@H]21)NNC(=O)C1CC1 767914015 WZYJMHOAAKEGLJ-WDEREUQCSA-N 299.396 -0.250 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H](O)c2cccnc2)n[nH]1 768276677 LRUNFNCGTHQZDR-JTQLQIEISA-N 275.268 -0.392 50 20 CBGD COCCCOCC(=O)NNC(=O)NCC1CC1 775675419 CXFOXZFPQTYDQN-UHFFFAOYSA-N 259.306 -0.220 50 20 CBGD O=C(CO)NNC(=O)COc1cccc([N+](=O)[O-])c1 777781813 HNHJEAJHGCRHCC-UHFFFAOYSA-N 269.213 -0.887 50 20 CBGD CCCNC(=O)NNC(=O)CCc1nc(N(C)C)no1 779748449 FMCLQMPDIAWBEQ-UHFFFAOYSA-N 284.320 -0.191 50 20 CBGD O=C1CC[C@@H](C(=O)NNc2nc3ccccn3n2)CN1 791259898 GEWJMOSXIHKCCF-MRVPVSSYSA-N 274.284 -0.301 50 20 CBGD N#CCCCC(=O)NNC(=O)CNC(=O)c1ccco1 812492436 GPLJXPNMOMFLDP-UHFFFAOYSA-N 278.268 -0.149 50 20 CBGD CCN(CCO)NC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O 823879493 NKXKRLWPQXWRCQ-AWEZNQCLSA-N 297.355 -0.747 50 20 CBGD COCCCn1cc(C(=O)NN(C)[C@@H](C)CO)cn1 823907498 MFNKLXGGFYLXQC-JTQLQIEISA-N 270.333 -0.123 50 20 CBGD CC(C)[C@@H](CO)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 827280411 BJJVPRLKSIYSQD-KXUCPTDWSA-N 273.333 -0.241 50 20 CBGD CN1CCC(C(=O)NNC(=O)c2cc[nH]n2)CC1 855358535 NIAMSUFADUIHFQ-UHFFFAOYSA-N 251.290 -0.488 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCCn2cccc2)N1 858287238 PFHWWGKCUKFJRN-SECBINFHSA-N 279.300 -0.903 50 20 CBGD O=C(C[C@@H]1C=CCC1)NNC(=O)[C@H]1CCC(=O)N1 862448315 CJJKGIJXIJEOKB-RKDXNWHRSA-N 251.286 -0.231 50 20 CBGD CC(C)(C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 862459896 BWIIMNCITMNXOD-QMMMGPOBSA-N 253.302 -0.151 50 20 CBGD CCC(F)(F)C(=O)NNC(=O)CS(C)(=O)=O 863467393 VIKPOXXJNAIXBA-UHFFFAOYSA-N 258.246 -0.776 50 20 CBGD COC(=O)C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 863870532 ICHZDVIGYKLDBK-UHFFFAOYSA-N 291.112 -0.608 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@H]2C[C@]23CCOC3)n[nH]1 869016023 YTRMICRSLCTNLD-MFKMUULPSA-N 278.312 -0.165 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H](OC)C(C)C 869908141 XWIMBMYGIGXMDY-JTQLQIEISA-N 262.306 -0.532 50 20 CBGD CC(C)N(C)S(=O)(=O)NNC(=O)C1CCOCC1 882805695 QLRJVBYJKLDZIU-UHFFFAOYSA-N 279.362 -0.381 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)c2ccccc2F)C1=O 899937051 MQAARZFQDNKARM-JTQLQIEISA-N 295.270 -0.556 50 20 CBGD C[C@H](O)CN(C)NC(=O)CNC(=O)Cc1ccccc1 910180218 JAPCHGQDECTXAE-NSHDSACASA-N 279.340 -0.311 50 20 CBGD COC(=O)CC(=O)NNC(=S)N[C@H](C)C1CC1 912159569 HNIRYVWGFQGUDB-ZCFIWIBFSA-N 259.331 -0.157 50 20 CBGD C/C=C\C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 913156135 TWPVQVFZASRYPS-IHWYPQMZSA-N 272.268 -0.001 50 20 CBGD Cc1cc(C(=O)NNC(=O)Cn2ccccc2=O)n[nH]1 917392726 NWPTZHJZGUOLCQ-UHFFFAOYSA-N 275.268 -0.659 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](N(C)C)[C@@H]1C 931038813 LOWFAMBSUGTRLG-DCAQKATOSA-N 270.377 -0.043 50 20 CBGD O=C(COC(F)(F)F)NNC(=O)N1CCOCC1 931113078 AUPGIYYVWZOQOI-UHFFFAOYSA-N 271.195 -0.404 50 20 CBGD COC(=O)c1ccc(C(=O)N2CC[C@@H](B(O)O)C2)o1 1261843551 KPGBHSFEGYDXFX-SSDOTTSWSA-N 267.046 -0.245 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1CCC[C@@H](F)C1 1325988063 FRMSQQKEJMIGRB-VXNVDRBHSA-N 286.307 -0.124 50 20 CBGD CNC(=O)NNC(=O)C1CCC(C(=O)N(C)C)CC1 1327862399 IXRSSXNCTKGCLX-UHFFFAOYSA-N 270.333 -0.159 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ncccc1F 1328086022 IUVGFAFQJGEHGG-UHFFFAOYSA-N 268.248 -0.494 50 20 CBGD COC(=O)N(C)NC(=O)NCCc1cnccn1 1330410590 YNJVCAVULVUAQJ-UHFFFAOYSA-N 253.262 -0.069 50 20 CBGD C/C=C(/C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1331310307 UOKFFQBZSKTDHY-LSFDQVSLSA-N 260.315 -0.465 50 20 CBGD CS/C=C/C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1331365580 WLMIYBHTERTJLN-XBBYQOBLSA-N 293.370 -0.619 50 20 CBGD COc1cc(O)ncc1C(=O)NN(C)[C@@H](C)CO 1336511274 PTELSZRXIMCJDF-ZETCQYMHSA-N 255.274 -0.247 50 20 CBGD Cc1c([C@@H](C)NCC(=O)NNC(=O)C2CC2)cnn1C 1342348675 RDQQHBYGDSJINK-MRVPVSSYSA-N 279.344 -0.063 50 20 CBGD N[C@H](CO)C(=O)NNC(=O)c1ccc2ccccc2c1 1574263650 DQFZNMJWRQCYOH-GFCCVEGCSA-N 273.292 -0.080 50 20 CBGD O=C(NNC(=O)[C@@H]1CCN1)c1n[nH]c2c1CCCC2 1580733020 MBECTBOVTRHCJP-VIFPVBQESA-N 263.301 -0.589 50 20 CBGD O=C(NNc1ncncc1F)[C@@H]1[C@H]2CCNC[C@H]21 1580743119 QOSKJDDKUISFGI-LKEWCRSYSA-N 251.265 -0.086 50 20 CBGD O=C(NNC(=O)[C@]1(C(=O)O)CC=CCC1)c1ncon1 1594779742 WDKBUQYEXPFNSA-NSHDSACASA-N 280.240 -0.358 50 20 CBGD O=C(O)C1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 1594925724 RBMDCXMBPGVIMB-UHFFFAOYSA-N 295.075 -0.558 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)C12CC(C(=O)O)(C1)C2 1601553487 JMSNSOGJVXXBQJ-UHFFFAOYSA-N 290.279 -0.089 50 20 CBGD CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)C(=O)O)C1 1603343696 AEDPUKKZUFHUOW-SSDOTTSWSA-N 272.305 -0.726 50 20 CBGD Cn1cnn(CC(=O)NNc2cccc(C(=O)O)c2)c1=O 1610612195 XMFSBSWSMBHKTD-UHFFFAOYSA-N 291.267 -0.577 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)Cn1cc(C2CC2)nn1 156419977 QOILEBNNWVXZFI-UHFFFAOYSA-N 289.299 -0.352 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1cccn1C 267223996 VHGCFFKWSVQRTC-SNVBAGLBSA-N 298.343 -0.093 50 20 CBGD CC[C@H]1CC[C@H](C(=O)NNC(=O)C(=O)NC2CC2)O1 268273803 HWSCDBXFLJFIAO-DTWKUNHWSA-N 269.301 -0.630 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)N2CCOCC2)o1 269341413 VYKDOIMBFNKQCO-UHFFFAOYSA-N 297.267 -0.247 50 20 CBGD CC(C)(O)C(=O)NNC(=O)COc1ccccc1C#N 276203303 GCGAAMFSGRQASE-UHFFFAOYSA-N 277.280 -0.145 50 20 CBGD CCN1CCO[C@H](C(=O)NNc2ncccn2)C1 371815842 XIKPMIXPNAPFHV-VIFPVBQESA-N 251.290 -0.360 50 20 CBGD CCOC(=O)NNC(=O)CS(=O)(=O)N(CC)CC 491557099 HPNFPHDDLFKLGS-UHFFFAOYSA-N 281.334 -0.565 50 20 CBGD CC1(C)[C@@H](NC(=O)c2ccc(B(O)O)cc2)C[C@H]1O 584973793 JTNFOROLZVBIBB-WDEREUQCSA-N 263.102 -0.744 50 20 CBGD CO[C@]1(CNC(=O)c2cc(B(O)O)ccc2F)CCOC1 584976045 PNVWAOPWPGGAFB-ZDUSSCGKSA-N 297.091 -0.959 50 20 CBGD CC[C@@H](NC(=O)c1cccc(B(O)O)c1)C(C)(C)O 584994241 FUEXGBPFOCZVAC-LLVKDONJSA-N 265.118 -0.354 50 20 CBGD CC[C@@H]1CN(CC)CCN1C(=O)c1cccc(B(O)O)c1 584996586 MHTLOHXPGXHMGM-CQSZACIVSA-N 290.172 -0.077 50 20 CBGD C[C@H](Cc1cnn(C)c1)NC(=O)c1ccc(B(O)O)cc1 584996965 SEFNEFCJQFILBT-SNVBAGLBSA-N 287.128 -0.539 50 20 CBGD CC(C)NC(=O)[C@H](C)NC(=O)c1ccc(B(O)O)cc1 585000375 LXFFPCXJVJYQBV-VIFPVBQESA-N 278.117 -0.991 50 20 CBGD CCO[C@@H]1COC[C@H]1NC(=O)c1cc(B(O)O)ccc1F 585001089 UQHLVSJPDYSPRH-VXGBXAGGSA-N 297.091 -0.961 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@@H]2C[C@@H]2C1 585006476 XGANQFKADDHHIA-PSASIEDQSA-N 263.077 -0.013 50 20 CBGD CSC[C@](C)(O)CNCc1cccc(B(O)O)c1 585025314 QYBPGMLDLGJVOP-GFCCVEGCSA-N 269.175 -0.430 50 20 CBGD CC[C@H](CCO)NCc1ccc(B(O)O)cc1F 585025462 UZCOKZOJVUEBID-LLVKDONJSA-N 255.098 -0.244 50 20 CBGD CC1(C)COCCN1CCNCc1ccccc1B(O)O 585032950 RUEAFHVCTPDGIG-UHFFFAOYSA-N 292.188 -0.433 50 20 CBGD C[C@@H](NCc1cccc(B(O)O)c1)c1nnc2n1CCC2 585033409 DNDRDSSJVHACQZ-SNVBAGLBSA-N 286.144 -0.245 50 20 CBGD CC(C)(CO)CCNCc1ccc(B(O)O)cc1 585043852 UHVDQXMITRRQPF-UHFFFAOYSA-N 251.135 -0.135 50 20 CBGD CO[C@@H]1COC[C@H]1NCc1ccc(B(O)O)cc1F 585047455 CHQWMHHDZSJZDP-VXGBXAGGSA-N 269.081 -0.991 50 20 CBGD O=C(NCB(O)O)c1cccc(-n2ccnc2O)c1 585062281 FELHLSZSPNRVPC-UHFFFAOYSA-N 261.046 -0.680 50 20 CBGD COc1ncccc1C(=O)N1CC[C@H](B(O)O)C1 585066354 NSWMJQPGYRTGFY-QMMMGPOBSA-N 250.063 -0.221 50 20 CBGD COC(=O)CSCCC(=O)NNC(=O)NC1CC1 730773208 DVBSLVYIVRXNEC-UHFFFAOYSA-N 275.330 -0.225 50 20 CBGD COc1ccc(C(=O)NNC(=O)c2c[nH]nc2C)nn1 737842082 VABGETKEZWJYIP-UHFFFAOYSA-N 276.256 -0.408 50 20 CBGD COc1cccc(CCC(=O)NNC(=O)CO)c1OC 753438983 UXNRCRYBCNQUFX-UHFFFAOYSA-N 282.296 -0.224 50 20 CBGD Cc1cccc(-n2nnc(C(=O)NNC(=O)CO)c2C)c1 753439188 KZJALHCGIUQOCS-UHFFFAOYSA-N 289.295 -0.363 50 20 CBGD CCCNC(=O)NNC(=O)c1cnc2c(c1)nnn2C 755170198 JJGDKQFRWYXILI-UHFFFAOYSA-N 277.288 -0.283 50 20 CBGD CS(=O)(=O)c1ccccc1NNC(=O)Cn1cnnn1 766668002 FFUDOCDUCHJJFX-UHFFFAOYSA-N 296.312 -0.780 50 20 CBGD O=C(CO)NN=Cc1n[nH]c2cc(C(=O)O)ccc12 776776087 FLYMTKJSMIQEMR-UHFFFAOYSA-N 262.225 -0.297 50 20 CBGD O=C(CO)NNC(=O)Nc1cc2c(cc1F)NC(=O)CC2 779929648 NVZKHSWBKVUWRG-UHFFFAOYSA-N 296.258 -0.145 50 20 CBGD Cc1cccc(C(=O)NNC(=O)C2=NN(C)C(=O)CC2)n1 794089098 BVSJGTSHEWUEKQ-UHFFFAOYSA-N 289.295 -0.241 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1C[C@@H](O)C1 822778856 OWFWEMPMBLADMB-DTORHVGOSA-N 274.317 -0.306 50 20 CBGD C#CCN(CC(=O)NNC(=O)NC)C(=O)OC(C)(C)C 823425474 VRSZLDBNKMATAX-UHFFFAOYSA-N 284.316 -0.183 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NNC(=O)C1CCCC1 826623363 CZNXCBACLZFDCZ-WCBMZHEXSA-N 298.343 -0.037 50 20 CBGD CC[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@H]1C)C(=O)NC 827258659 CGCXXRAPRLMUKL-CIUDSAMLSA-N 286.332 -0.734 50 20 CBGD CC(=O)N[C@@H]1CCN(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1 827261004 YKLISESZMFHUPK-GDPRMGEGSA-N 298.343 -0.637 50 20 CBGD C[C@H](CC(=O)O)C(=O)NNC(=O)c1cccnc1 827303646 HETINHLHTPHVRO-SSDOTTSWSA-N 251.242 -0.047 50 20 CBGD CC(=O)NNC(=O)c1ccc(NS(C)(=O)=O)cc1 842242633 BLWGOTZEOWFOIU-UHFFFAOYSA-N 271.298 -0.161 50 20 CBGD Cc1cn(C)nc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843662447 SQTROMLKHDMJAY-RKDXNWHRSA-N 266.301 -0.085 50 20 CBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNC(=O)c2cccc(F)n2)O1 862236611 PJGPVPVCUQECHS-JGVFFNPUSA-N 296.258 -0.985 50 20 CBGD C[C@]1(CCC(=O)NNC(=O)c2cn[nH]c2)CCC(=O)N1 862470982 MKDVCORFRVOJRG-GFCCVEGCSA-N 279.300 -0.380 50 20 CBGD CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1cccc(B(O)O)c1 863879683 XYLOSLYZNJBGPM-VHSXEESVSA-N 293.128 -0.316 50 20 CBGD C[C@H](O)CN(CC(F)F)C(=O)c1cccc(B(O)O)c1 863885310 HRWSMGSLPMUQRT-QMMMGPOBSA-N 287.071 -0.546 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CC1(F)F 869903732 GYDCDMSGGFZGKY-ZCFIWIBFSA-N 252.217 -0.548 50 20 CBGD CCCNC(=O)NNC(=O)CCN1CCCS1(=O)=O 921038349 VBKLAVOGVKURAY-UHFFFAOYSA-N 292.361 -0.848 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCn2ccnc21 931518972 AVUOUJSSXLTSPC-UHFFFAOYSA-N 251.290 -0.494 50 20 CBGD O=C(CC1CC(F)(F)C1)NNC(=O)[C@@H]1CCC(=O)N1 1118909857 NFKIFABDLYAXHN-ZETCQYMHSA-N 275.255 -0.152 50 20 CBGD CCO[C@@H]1COCC[C@@H]1NC(=O)NNC(=O)c1cn[nH]c1 1261790804 VVKAZORBVKFOIQ-VHSXEESVSA-N 297.315 -0.452 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CCC[C@@H]1OC 1262635564 SUZAJKOHUHABFU-UWVGGRQHSA-N 274.317 -0.388 50 20 CBGD CCOC(=O)/C(C#N)=C\N[C@H](C)c1nnnn1C 1262669107 NFYBBJBLINPFOG-QHRPWQPMSA-N 250.262 -0.169 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H](C)c1nc(C)no1 1320099554 HGISUBXKYLBREM-BQBZGAKWSA-N 269.305 -0.025 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CCC[C@@H]1C 1325120878 XHSZMFNXBINBIG-YUMQZZPRSA-N 257.290 -0.074 50 20 CBGD C[C@H](N)C[C@H](C)NC(=O)NNC(=O)c1cnn(C)c1 1329282374 TYFPXYQQBFZXKY-YUMQZZPRSA-N 268.321 -0.510 50 20 CBGD COC(=O)N(C)NC(=O)CCc1nc(-c2nc[nH]n2)no1 1341209493 FQJCTYXWUABIQH-UHFFFAOYSA-N 295.259 -0.483 50 20 CBGD Cn1nncc1NNC(=O)c1ccc2c(c1)OCC(=O)N2 1347710586 ZAZKHCKPXWMAAD-UHFFFAOYSA-N 288.267 -0.097 50 20 CBGD CS(=O)(=O)CCCCNC(=O)NNC(=O)C1CCC1 1349005627 PZPZZCYFVNRQAJ-UHFFFAOYSA-N 291.373 -0.058 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cccc(C(=O)O)n1 1590882413 CSBGYTWDBCXWPH-UHFFFAOYSA-N 267.241 -0.688 50 20 CBGD Cn1c(C(=O)NNc2ncccn2)ccc1-c1nn[nH]n1 1592550133 WBIJNOCILQDDGE-UHFFFAOYSA-N 285.271 -0.248 50 20 CBGD Cc1nnc(NNC(=O)N[C@H]2C[C@@H](C(=O)O)C2)n1C 1594492690 JEOYFUUJKSRZSF-KNVOCYPGSA-N 268.277 -0.387 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1cc(C(=O)O)n[nH]1 1594551392 CLSAQJZVYRNORE-UHFFFAOYSA-N 277.240 -0.479 50 20 CBGD CNC(=S)N(C)NC(=O)c1csc(C(=O)O)n1 1598661333 CAZYANUMRTUJLA-UHFFFAOYSA-N 274.327 -0.078 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCc2ccccc2OC1 1601553055 SAYJYDGVCPYMPI-SECBINFHSA-N 293.279 -0.205 50 20 CBGD O=C(NCC[C@H]1CCC2(CCC2)O1)NNC(=O)C(=O)O 1608441181 VDCUIWMLODULKZ-MRVPVSSYSA-N 285.300 -0.107 50 20 CBGD CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1C 1609288751 KFKRZMZPPLWHIO-UHFFFAOYSA-N 275.272 -0.251 50 20 CBGD NC(=O)NCCCCC(=O)NNC(=O)c1ccccc1O 61477364 YAHYROWXEDTHIB-UHFFFAOYSA-N 294.311 -0.008 50 20 CBGD CC[C@H](C(=O)NNC(=O)c1cc(C)n[nH]1)N(C)C 152576317 ZIOFKEZWXYGSOT-SECBINFHSA-N 253.306 -0.181 50 20 CBGD COc1cc(C=NNC(=O)C(N)=O)cc(OC)c1O 254845254 AKAXNWOBIKSWCH-UHFFFAOYSA-N 267.241 -0.655 50 20 CBGD COc1cccc(NNC(=O)N[C@H]2CCN(C)C2=O)n1 272604348 SPNFKZICQNVGEE-QMMMGPOBSA-N 279.300 -0.053 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@](C)(O)C2CC2)cn1 288222376 CXKVIXHLGNCCFY-NSHDSACASA-N 252.274 -0.658 50 20 CBGD CCCC[C@@H](NC(N)=O)C(=O)NNC(=O)C1CC1 299267163 RCELYKCRWOBJQM-MRVPVSSYSA-N 256.306 -0.229 50 20 CBGD COC(=O)NC(C)(C)C(=O)NNC(=O)Cc1cccnc1 491215986 RYEFKYBNCRASSV-UHFFFAOYSA-N 294.311 -0.094 50 20 CBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)OC(C)(C)C)nn1 493537887 BDCDJRFPLYXOKA-SSDOTTSWSA-N 285.304 -0.113 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCCC[C@@H](CO)C1 584964186 ILBZPLREZQFFQL-LLVKDONJSA-N 277.129 -0.399 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@@H]2CC[C@H](O)[C@H]2C1 584974674 WXRVQVOMTVSNPI-QWRKXWFKSA-N 293.103 -0.652 50 20 CBGD CN(CCN(C)C1CC1)C(=O)c1cc(B(O)O)ccc1F 584978767 WWRWRMHKRGMSHQ-UHFFFAOYSA-N 294.135 -0.328 50 20 CBGD CC(C)[C@H](NCc1ccc(B(O)O)o1)C(=O)N(C)C 585018658 NYAMKLQZYIPBEJ-NSHDSACASA-N 268.122 -0.838 50 20 CBGD CC(C)[C@@H](NCc1ccc(B(O)O)cc1F)C(=O)N(C)C 585018770 RTHXTNXCTHBEAZ-CYBMUJFWSA-N 296.151 -0.292 50 20 CBGD C[C@H](NCc1ccc(B(O)O)o1)C(=O)N1CCCC[C@@H]1C 585019908 JNLMVPXZTMLWGO-QWRGUYRKSA-N 294.160 -0.162 50 20 CBGD CNC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(B(O)O)cc1F 585032478 VLLHJRGODYDHOM-YPMHNXCESA-N 294.135 -0.490 50 20 CBGD CCO[C@@H]1C[C@@H](NCc2cccc(B(O)O)c2)[C@H]1OC 585035482 UUCRAFJUKWKZDS-MGPQQGTHSA-N 279.145 -0.352 50 20 CBGD CC1(C)OCC[C@H]1CNCc1ccc(B(O)O)o1 585049344 DFJBELOTQJLYBW-VIFPVBQESA-N 253.107 -0.136 50 20 CBGD C[C@@](CO)(CCF)NCc1ccc(B(O)O)cc1F 585049854 LJONHRGCDDIRTD-LBPRGKRZSA-N 273.088 -0.294 50 20 CBGD N#Cc1cccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)c1 585058092 SSAOOTQRXDHAHM-JTQLQIEISA-N 280.114 -0.204 50 20 CBGD Cc1nn(CC(C)C)c(C)c1CC(=O)NCB(O)O 585061157 QVWVITFJEXUXBR-UHFFFAOYSA-N 267.138 -0.173 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCCCN1C 740851643 PDSPTZUEJLGZJG-LLVKDONJSA-N 298.387 -0.077 50 20 CBGD CC(C)(NS(C)(=O)=O)C(=O)NNc1cnccn1 743412410 IRMFSKOHEZHMMB-UHFFFAOYSA-N 273.318 -0.753 50 20 CBGD CNC(=O)NNC(=O)c1ccnc(O[C@H]2CCOC2)c1 755141293 HOFZWHFZGCFBRO-VIFPVBQESA-N 280.284 -0.177 50 20 CBGD CN1CCc2ccc(NC(=O)NNC(=O)CO)cc2C1=O 757689125 AZRYFLJGOVPNBH-UHFFFAOYSA-N 292.295 -0.540 50 20 CBGD NC(=O)C(=O)NN=C1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 760225898 OXWJBXGRGWGRSC-QMMMGPOBSA-N 294.271 -0.136 50 20 CBGD CCO[C@@H]1C[C@H]1C(=O)O[C@@H](C)C(=O)NNC(=O)CC 772026215 UXJKJTQLWMOGIR-DJLDLDEBSA-N 272.301 -0.100 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1C[C@H](OCC)[C@H]1OC 776523860 FLNHWVSSSRFOEA-YWVKMMECSA-N 289.332 -0.454 50 20 CBGD C=CCNC(=O)CNC(=O)NNC(=O)C1CCC1 776960519 HCDJBRUIUBXOFT-UHFFFAOYSA-N 254.290 -0.581 50 20 CBGD Cn1nc(Br)cc1C=NNC(=O)CO 782266643 BQYPBFSVFPTCGT-UHFFFAOYSA-N 261.079 -0.375 50 20 CBGD C[C@H](C(=O)NNC(=O)c1ccccn1)[C@@H](C)S(C)(=O)=O 788262818 YOHBKTJKPJOJHM-DTWKUNHWSA-N 299.352 -0.088 50 20 CBGD CN1CCN(CC(=O)NNc2cccc(F)n2)CC1=O 804768534 HXWZQGSQJKIYJM-UHFFFAOYSA-N 281.291 -0.562 50 20 CBGD C[C@H](C(=O)NNC(=O)CN(C)C)N(C)CC(F)(F)F 806772711 SZSAWVJWCADEBB-SSDOTTSWSA-N 284.282 -0.422 50 20 CBGD Cc1nc2ccccc2n1CCC(=O)NNC(=O)CO 807195456 GENPEIOYTTVYRT-UHFFFAOYSA-N 276.296 -0.125 50 20 CBGD O=C(NCCCn1cncn1)NNc1ncncc1F 814280727 KEIIDIGBFKZPSG-UHFFFAOYSA-N 280.267 -0.076 50 20 CBGD Cn1nncc1NNC(=O)CNC(=O)CC1CCCC1 816770389 VINFDFSXIXWBTF-UHFFFAOYSA-N 280.332 -0.045 50 20 CBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNc1ncccn1 816848441 AWBGQRFKYMIQEM-ZETCQYMHSA-N 273.318 -0.753 50 20 CBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)C1CCCC1 821754477 FNKAMUOGFJDHEP-MRVPVSSYSA-N 291.373 -0.348 50 20 CBGD CCNC(=O)[C@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 825594199 GOABNXQMVWJWDG-YIZRAAEISA-N 286.332 -0.734 50 20 CBGD COC(=O)NC(C)(C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843650223 ABHWHBPRFMYKCU-SFYZADRCSA-N 287.316 -0.307 50 20 CBGD CC(C)C(=O)NNC(=O)CCn1cnc2c(N)ncnc21 854214889 UEQKIDAPOBOLDB-UHFFFAOYSA-N 291.315 -0.398 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@H]1CCC(=O)N1C 855005103 BMRNKMWXDSBESN-AEJSXWLSSA-N 283.328 -0.430 50 20 CBGD C[C@H](NC(=S)NNC(=O)C1(n2cnnn2)CC1)C1CC1 855094933 HWQAJKDSSNXISX-ZETCQYMHSA-N 295.372 -0.544 50 20 CBGD CCOC(=O)CCCNC(=O)NNC(=O)c1cn[nH]c1 858116472 SQBOZQGFHSIEFE-UHFFFAOYSA-N 283.288 -0.303 50 20 CBGD CSCC[C@H](NC(N)=O)C(=O)NNC(=O)C(C)(C)C 858522577 BPRHJKKXLPJQCO-ZETCQYMHSA-N 290.389 -0.030 50 20 CBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)c1cccc(F)n1 862236111 JHERROOKQNKWCO-JTQLQIEISA-N 282.275 -0.248 50 20 CBGD CC(=O)[C@@H]1C[C@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1(C)C 862458240 BDALKZPTGDMNKZ-AEJSXWLSSA-N 295.339 -0.336 50 20 CBGD COCCn1cc(C(=O)NNC(=O)c2cn[nH]c2)c(C)n1 862470981 MJNBDSLEECRMRE-UHFFFAOYSA-N 292.299 -0.364 50 20 CBGD O=C1CC[C@@H](C(=O)NN=C2CC(=O)N3CCCC[C@H]23)N1 863151049 CIMDMNDZRXGIET-WCBMZHEXSA-N 278.312 -0.478 50 20 CBGD CC(C)[C@@H]1CNCCN1CC(=O)NNC(=O)C1CC1 863546271 IDLVBFJIAXKBQO-NSHDSACASA-N 268.361 -0.526 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCNC1=O)OCC(F)(F)F 869281998 TVSDWZPWNMPRQX-RXMQYKEDSA-N 283.206 -0.168 50 20 CBGD Cc1cnc2c(cnn2CC(=O)NNC(=O)CN(C)C)c1 894133279 IEMQTRUGNGAZSF-UHFFFAOYSA-N 290.327 -0.551 50 20 CBGD CC(C)CN1N=C(C(=O)NN(C)C[C@H](C)O)CCC1=O 910161011 PZCBQHVIXUXZMB-JTQLQIEISA-N 284.360 -0.035 50 20 CBGD C[C@@H](CC(=O)NNC(=O)CN1CCCC1=O)n1cccn1 913733515 LOPYQAFHWBMDSH-JTQLQIEISA-N 293.327 -0.396 50 20 CBGD CCNC(=O)NNC(=O)[C@H](CCSC)NC(=O)CC 920858156 ZXIBRRDQMYJXHI-QMMMGPOBSA-N 290.389 -0.015 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1cccc(OC)c1 1116187543 QDZCOYCUBAVXBR-UHFFFAOYSA-N 281.268 -0.301 50 20 CBGD CC(=O)NNC(=O)c1cccc(N2CCNC2=O)c1 1117740427 LWOVTCGHMOOAFB-UHFFFAOYSA-N 262.269 -0.003 50 20 CBGD CC(C)c1[nH]ccc1C(=O)NNC(=O)CS(C)(=O)=O 1118895771 YZKADBNPEQEHRM-UHFFFAOYSA-N 287.341 -0.056 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1CCN(C)C(=O)C1 1248568279 APHKQLXAEAZHCN-MRVPVSSYSA-N 272.374 -0.242 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccc(=O)n(C)n1 1254046545 SRIKJQYJFLOAIG-UHFFFAOYSA-N 253.262 -0.914 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cc[n+]([O-])cc2)n1 1317729260 SPVZSCPEGRGDSP-UHFFFAOYSA-N 289.295 -0.405 50 20 CBGD O=C(NNC(=O)C1CC=CC1)N[C@@H]1CCS(=O)(=O)C1 1318716081 BRKIKEHKGPIYMS-SECBINFHSA-N 287.341 -0.530 50 20 CBGD COc1ncc(C(=O)NNc2ncnc3[nH]cnc23)cn1 1319167046 JCQKRTYNNVPXLI-UHFFFAOYSA-N 286.255 -0.092 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)C[C@@H]1CCOC1 1320847294 IXVANODOGYVEKM-MRVPVSSYSA-N 265.335 -0.481 50 20 CBGD CC[C@H](NC(=O)NNC(=O)C(=O)OC)[C@@H]1CCCO1 1323019548 JVIDYCYMHYXIFD-YUMQZZPRSA-N 273.289 -0.553 50 20 CBGD CCc1ocnc1C(=O)NNC(=O)C(=O)NC(C)C 1323084644 AZATZCUEXOQQFD-UHFFFAOYSA-N 268.273 -0.477 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 1326745392 XKGRAKRCLGZZKQ-ZJUUUORDSA-N 298.343 -0.493 50 20 CBGD Cc1c(C(=O)NNC(=O)c2ccncc2)nnn1C 1329397805 MDTVCGONKWSXFE-UHFFFAOYSA-N 260.257 -0.407 50 20 CBGD COCCOCC(=O)NNC(=O)C1CC(F)(F)C1 1329975627 CJROEVOQONYGBS-UHFFFAOYSA-N 266.244 -0.158 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC[C@@]1(O)C[C@H]2CC[C@H]1C2 1330156012 ZDVVGCLGUGGYEG-MWODSPESSA-N 299.327 -0.569 50 20 CBGD CN(C)C(=O)C1CCC(C(=O)NNC(=O)C(C)(C)O)CC1 1330787106 KZBALZQBWGVUFG-UHFFFAOYSA-N 299.371 -0.201 50 20 CBGD Cc1ccc(NNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)nn1 1332093713 LJWVYGQJELHAPN-DTWKUNHWSA-N 294.315 -0.133 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)Nc1cnsn1 1332156322 HBWUESXKYMXJAI-NTSWFWBYSA-N 299.312 -0.951 50 20 CBGD C[C@](O)(C(=O)NNC(=O)[C@@H]1CCCCO1)C1CC1 1344405174 UXDZQJZUMFRTIH-JOYOIKCWSA-N 256.302 -0.136 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=S)Nc1ccccn1 1352253542 LQZNPIRTWCPUOX-ZETCQYMHSA-N 281.341 -0.076 50 20 CBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@H]1CCCN1 1575099074 QOLPHVJXHBSSCD-SNVBAGLBSA-N 298.387 -0.172 50 20 CBGD CC(C)(C)N1CCC[C@H](C(=O)NNC(=O)CCN)C1=O 1575140345 RIUCNHSQFYISMF-SECBINFHSA-N 284.360 -0.480 50 20 CBGD Nc1cccc(CC(=O)NNC(=O)c2ncon2)c1 1580454899 AKAHCEZRNNABHS-UHFFFAOYSA-N 261.241 -0.345 50 20 CBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=O)c1cccc(C)n1 1593926341 HFBVLEPDGZPJOG-GFCCVEGCSA-N 281.268 -0.359 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1c2ccccc2OC[C@H]1F 1601552714 FOBZCHXVXPWDRK-VXNVDRBHSA-N 297.242 -0.127 50 20 CBGD O=C(NNC(=O)c1ncccn1)c1c[nH]c(C(=O)O)c1 1601557733 QLSDDTNOGUPJGX-UHFFFAOYSA-N 275.224 -0.422 50 20 CBGD C[C@]1(C(=O)NNC(=O)NCCC(=O)O)CCCO1 1603292438 KPRACYRXABVCNM-SNVBAGLBSA-N 259.262 -0.639 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CC(C(=O)O)=NO1 1605512045 XCMTYEYKCUPYQI-QMMMGPOBSA-N 280.240 -0.984 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(C(=O)O)o1 1606017904 OYDCYNHWTCVTPQ-UHFFFAOYSA-N 255.230 -0.700 50 20 CBGD COC[C@@](C)(NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)O 1606786339 SLRAMPCRUNBIJO-MQSIBISMSA-N 292.295 -0.067 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H](c1ncccn1)C1CC1 1608478428 YDTSBBHNIOOKDI-SSDOTTSWSA-N 279.256 -0.657 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)c1n[nH]c(O)n1 48725524 GMMVWVXRLPROQZ-UHFFFAOYSA-N 261.241 -0.106 50 20 CBGD CNC(=O)NNC(=O)c1ccc(-n2ccnc2)nc1 48950488 PYVKZIVRLCBNFT-UHFFFAOYSA-N 260.257 -0.159 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 48952889 FWQNKIYAVRTMRZ-QMMMGPOBSA-N 291.373 -0.060 50 20 CBGD CN1CCN(CC(=O)NNC(=O)C2CCC2)CC1 111191689 MKMUNSCSCOWGPY-UHFFFAOYSA-N 254.334 -0.819 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(C#N)c(O)c1 188430042 WICFIALNIRFAGL-UHFFFAOYSA-N 262.269 -0.414 50 20 CBGD CC(=O)Nc1nc(C(=O)NNC(=O)CN(C)C)cs1 265026057 FQDGLUAOXWOQCP-UHFFFAOYSA-N 285.329 -0.576 50 20 CBGD Cn1nnc2cc(C(=O)NNC(=O)C3CC3)cnc21 272723074 HTVKLQUDXZFGKX-UHFFFAOYSA-N 260.257 -0.466 50 20 CBGD COC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)N1CCOCC1 285227850 QHUKYAMGHHFCHC-RKDXNWHRSA-N 285.300 -0.741 50 20 CBGD C=CCNC(=O)CNS(=O)(=O)CCCCl 393812292 BXHFRCYFCQAYKA-UHFFFAOYSA-N 254.739 -0.163 50 20 CBGD CN(CCCCCO)C(=O)c1cccc(B(O)O)c1 584981839 BHSNYBSWYKJDPQ-UHFFFAOYSA-N 265.118 -0.399 50 20 CBGD CC1(C)CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@H]1O 584983808 QNPUZRZMOZJVPE-LLVKDONJSA-N 281.092 -0.652 50 20 CBGD C[C@@H](CO)C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 585003032 KCWPQNLMCYSXLD-NSHDSACASA-N 291.156 -0.153 50 20 CBGD O=C(C1CC1)N1CCC(NCc2ccc(B(O)O)o2)CC1 585013172 UTFAKQCRZLDAQV-UHFFFAOYSA-N 292.144 -0.550 50 20 CBGD C[C@@H](CCNCc1ccc(B(O)O)o1)[S@@](C)=O 585034375 PBDSDYHYLAUBOG-WNWIJWBNSA-N 259.136 -0.794 50 20 CBGD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCB(O)O 585054232 JIKHYADUMOSZQL-UHFFFAOYSA-N 278.026 -0.976 50 20 CBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)CC(F)(F)F 727485025 GRNCCQQWMGTXSU-CRCLSJGQSA-N 268.191 -0.105 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C[C@@H]1CCOC1 728434150 IWWIGJQWWJRLOM-SFYZADRCSA-N 263.319 -0.937 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CN2CCC1CC2 728435310 XPTPCWBQZFGRJN-MRVPVSSYSA-N 288.373 -0.878 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CCn1cccc1 746103880 ZMHVRGVIPSFHNW-UHFFFAOYSA-N 266.301 -0.450 50 20 CBGD CCCCn1ncc(C(=O)NNC(=O)CO)c1CC 760872125 DWJSAYHUFNTNHY-UHFFFAOYSA-N 268.317 -0.001 50 20 CBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cc[nH]c1 764344945 MGEGTNLGKNMDFS-UHFFFAOYSA-N 287.279 -0.399 50 20 CBGD Cn1cc([C@H](O)C(=O)NNC(=O)c2ccccn2)cn1 773691394 FSMMOVBKVJSPKP-JTQLQIEISA-N 275.268 -0.690 50 20 CBGD CCC(C)(C)N[C@H](C)C(=O)NNC(=O)CN(C)C 777135805 PGYLBZGOXHVJND-SECBINFHSA-N 258.366 -0.138 50 20 CBGD CSCc1cccnc1C(=O)NNC(=O)CO 810919221 SZLHABBYTCLAKE-UHFFFAOYSA-N 255.299 -0.302 50 20 CBGD O=C(NN=Cc1cnn(CC(F)F)c1)C(=O)NC1CC1 814216954 KKPOIUQTXUZJQE-UHFFFAOYSA-N 285.254 -0.123 50 20 CBGD CCN(CCO)NC(=O)C(=O)c1ccc(O)cc1 823879395 LKLPIFNGLXVPAC-UHFFFAOYSA-N 252.270 -0.080 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cncc(N2CCOCC2)c1 823940330 XFDSNPDOLNUMEA-LLVKDONJSA-N 294.355 -0.124 50 20 CBGD C[C@@H](CO)N(C)NC(=O)C(=O)Nc1ccccc1 823970926 MZDYVOXUDLHTAE-VIFPVBQESA-N 251.286 -0.031 50 20 CBGD C=C[C@@H](O)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 831790209 JVUMEOYXQWZTEI-SSDOTTSWSA-N 273.289 -0.795 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCN1CCOC1=O 843643720 AFRBXNDAJDLVLL-IUCAKERBSA-N 285.300 -0.599 50 20 CBGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1 843663001 UVRLMJWOLMCPGZ-DCAQKATOSA-N 297.355 -0.183 50 20 CBGD CO[C@@H](C=NNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 853292944 ZRVSRAUUZHVPKX-UWVGGRQHSA-N 289.357 -0.117 50 20 CBGD COCCCNC(=S)N(C)NC(=O)Cc1cnn(C)c1 854281441 UYNOCUUYYNKLFX-UHFFFAOYSA-N 299.400 -0.163 50 20 CBGD CN1CCN(C(=O)NNC(=O)C#CC2CC2)CC1 854380961 AQEZJCYUHXEUKT-UHFFFAOYSA-N 250.302 -0.612 50 20 CBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@@H](O)C1CC1 855832466 CGWIPFCVOYFHIP-NSHDSACASA-N 299.371 -0.153 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCCc2ccco2)N1 858622647 HULNVWBMWQFMQE-JTQLQIEISA-N 294.311 -0.179 50 20 CBGD CON(C)C(=O)[C@H](C)NS(=O)(=O)CBr 859403541 YALZGQLCJCKPOJ-YFKPBYRVSA-N 289.151 -0.334 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(O)c1O 862458132 YCOTVAKRWXGMJL-QMMMGPOBSA-N 293.279 -0.554 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C1SCCCS1 863465709 IWXPXWCZXRLAIT-UHFFFAOYSA-N 298.411 -0.625 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)NCCN2CC[C@H](O)C2)cn1 863833643 SMCXKWSWHXDMCK-UWUHSAQLSA-N 289.339 -0.490 50 20 CBGD COC(=O)CN(C(=O)c1ccc(B(O)O)cc1)C1CC1 863882388 YZZFPJIJFMNUPW-UHFFFAOYSA-N 277.085 -0.856 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccco2)N1 863935775 USVFVYPTEDGADH-IWSPIJDZSA-N 277.280 -0.191 50 20 CBGD CC[C@H](NC(C)=O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 869067756 HAQLDYDKEZNXLY-QNSHHTMESA-N 271.317 -0.527 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)CCCC(N)=O 899995074 GKZBYRFYNQJSRM-UHFFFAOYSA-N 260.363 -0.064 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccc(-n2cnnn2)cc1 910177616 MRKOTKPIQMRULX-SECBINFHSA-N 276.300 -0.380 50 20 CBGD O=C(NCc1nnnn1C1CC1)NNC(=O)c1ccc[nH]1 1116169046 JXSPASSFHRCXMA-UHFFFAOYSA-N 290.287 -0.520 50 20 CBGD CCn1cc(C(=O)NNc2nccn(C)c2=O)cn1 1116200015 ITVGXUSJNVYAED-UHFFFAOYSA-N 262.273 -0.246 50 20 CBGD O=C1C[C@@H](C(=O)NNC(=O)Cc2ccncc2)CCN1 1116274966 YTTVHJRHQLVZKY-JTQLQIEISA-N 276.296 -0.702 50 20 CBGD COCCCOCC(=O)NNc1ccc(C(N)=O)nn1 1116489396 HWMHEODDMKBQQJ-UHFFFAOYSA-N 283.288 -0.928 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)c1cccn1C 1118218952 PQCAKVRZZQHLBB-RKDXNWHRSA-N 279.296 -0.220 50 20 CBGD CN(C)c1ncccc1C=NNC(=O)[C@H]1CCC(=O)N1 1118889617 OQIVGJZEIGBSCS-SNVBAGLBSA-N 275.312 -0.124 50 20 CBGD COC(=O)c1cnn(CC(=O)NNc2ccn(C)n2)c1 1261842999 RXKLSDAPMVHJNY-UHFFFAOYSA-N 278.272 -0.454 50 20 CBGD C[C@H](NC(=O)c1ccoc1)C(=O)N1CC[C@H](B(O)O)C1 1261844706 YAKJUHYUTZRXHN-WPRPVWTQSA-N 280.089 -0.527 50 20 CBGD NC(=O)NCCCCC(=O)NNC(=O)c1cccnc1 1317736508 BUDJOSIUIIWECJ-UHFFFAOYSA-N 279.300 -0.319 50 20 CBGD COC(=O)C(=O)NNC(=S)NC1CCCCC1 1318911386 JPBBKJREYNPWOB-UHFFFAOYSA-N 259.331 -0.013 50 20 CBGD COC(=O)CCCNC(=O)NNC(=O)c1cnn(C)c1 1321919441 BFGWLBQTBAKRNG-UHFFFAOYSA-N 283.288 -0.683 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnn2ccncc12 1323156491 UWEQUDFBSRQJJL-UHFFFAOYSA-N 262.273 -0.948 50 20 CBGD NC(=O)c1ccc(OCC(=O)N2CC[C@H](B(O)O)C2)cc1 1329216543 XYABMXWOYSBEGK-JTQLQIEISA-N 292.100 -0.760 50 20 CBGD CCOc1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)[nH]n1 1329338922 LBFWNMGXEREJKY-YUMQZZPRSA-N 282.300 -0.006 50 20 CBGD Cc1onc(CO)c1C(=O)NNC(=O)N1CCOCC1 1332878348 JEVKDIYWGNHDGB-UHFFFAOYSA-N 284.272 -0.838 50 20 CBGD CC(C)(O)C(=O)NN=Cc1cnc2n1CCOC2 1333220702 YYXRXFFKTQHJTM-UHFFFAOYSA-N 252.274 -0.366 50 20 CBGD CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)c1cc[nH]n1 1335979317 AYNKLFOBRVQJFM-IONNQARKSA-N 252.274 -0.014 50 20 CBGD CCNC(=O)N(C)NC(=O)c1nc2ncc(C)cn2n1 1350979046 BPTQZHGLJZXPGS-UHFFFAOYSA-N 277.288 -0.261 50 20 CBGD CC(C)(C)C(=O)NCC(=O)N1CC[C@@H](B(O)O)C1 1351727760 AHRPHULOPUSTDB-MRVPVSSYSA-N 256.111 -0.776 50 20 CBGD NCCCCCC(=O)NNC(=O)c1ccnc(CO)c1 1580292616 GOKNTNYJUURYBC-UHFFFAOYSA-N 280.328 -0.146 50 20 CBGD C=C[C@@H](O)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 1588526646 ZYXIFXRZLDOIEH-ZCFIWIBFSA-N 295.690 -0.095 50 20 CBGD CC(C)C(=O)NNC(=O)[C@@H]1CCCN(CC(=O)O)C1=O 1588799324 CVAYUUYNVCTFPT-QMMMGPOBSA-N 285.300 -0.887 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1C[C@@H](C(=O)O)C1 1589414781 BIFLQNSRMMEGQL-MAUMQABQSA-N 285.300 -0.395 50 20 CBGD CNC(=O)NNC(=O)c1cscc1-c1nn[nH]n1 1591211847 CJSPQSQLOCQBFB-UHFFFAOYSA-N 267.274 -0.498 50 20 CBGD CC[C@H](C)[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)O 1597321574 MXCJHQNURMPHEI-KWQFWETISA-N 279.101 -0.405 50 20 CBGD O=C(O)[C@@H]1CCCCCN1C(=O)c1cccc(B(O)O)c1 1601815311 AOTXTBVGGIYXPU-LBPRGKRZSA-N 291.112 -0.164 50 20 CBGD N#C/C=C/Cn1c(=O)c(C#N)cn(CC(=O)O)c1=O 1605581844 NORHQVPJLXLJQN-OWOJBTEDSA-N 260.209 -0.954 50 20 CBGD CC(=O)NNC(=O)CNC(=O)COc1ccccc1 23199132 ZJJXITBFDHYMBY-UHFFFAOYSA-N 265.269 -0.651 50 20 CBGD CC(=O)NNC(=O)CNC(=O)NCc1ccco1 48823260 FMXCDZHEEDGDKR-UHFFFAOYSA-N 254.246 -0.754 50 20 CBGD CCCNC(=S)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 138955763 COZOPQROOXQABP-SSDOTTSWSA-N 294.402 -0.738 50 20 CBGD Cn1cc(C(=O)NNC(=O)CC2(O)CCCC2)cn1 174968681 ZCVRDGOYNHIVSX-UHFFFAOYSA-N 266.301 -0.124 50 20 CBGD Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNC(=O)CN(C)C 175946479 ZODLBNLDIGGBRR-VIFPVBQESA-N 295.387 -0.075 50 20 CBGD O=C(CO)NNC(=O)CCc1cccc([N+](=O)[O-])c1 180955340 PVMXNHLLFXZBIQ-UHFFFAOYSA-N 267.241 -0.333 50 20 CBGD COc1ccc(F)cc1CC(=O)NNC(=O)CO 185927444 IKZATPVQCDXUOP-UHFFFAOYSA-N 256.233 -0.484 50 20 CBGD COCCCOCC(=O)NNC(=O)Cn1nc(C)cc1C 271852903 WMNHKLFABOVHCM-UHFFFAOYSA-N 298.343 -0.300 50 20 CBGD Cc1cc(C(=O)NNC(=O)N2CCN(C)CC2)n(C)n1 278530949 DFVXYXIUQQWCIT-UHFFFAOYSA-N 280.332 -0.670 50 20 CBGD CS(=O)(=O)CCC(=O)NNC(=O)c1ccccc1O 298661935 AFQFWWWGXKIQJA-UHFFFAOYSA-N 286.309 -0.412 50 20 CBGD CC(C)(C)C(=O)NNC(=O)Cn1ccc([N+](=O)[O-])n1 298806135 MGYGTGQHIYUKCP-UHFFFAOYSA-N 269.261 -0.015 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)s1 299189605 JURTVEGLRQXWJV-UHFFFAOYSA-N 276.339 -0.138 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@H](COC)C(=O)OC 490813616 QMVVQFFYAJNFEO-BNICOGTQSA-N 256.258 -0.265 50 20 CBGD O=C(NCCOC[C@@H]1CCCO1)c1ccc(B(O)O)cc1 584947724 ZHXJRELXAYXBDZ-ZDUSSCGKSA-N 293.128 -0.708 50 20 CBGD O=C(NCC1(O)CCCCC1)c1cccc(B(O)O)c1 584948669 IVPHVIZIYKGVDA-UHFFFAOYSA-N 277.129 -0.209 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1[C@H]2COC[C@H]1C2 584986827 CENWSPPWNANYDB-RKDXNWHRSA-N 265.049 -0.881 50 20 CBGD O=C(N[C@H]1CC[C@@H](CO)C1)c1ccc(B(O)O)c(F)c1 584995055 IESGVZVKFDTWIX-SCZZXKLOSA-N 281.092 -0.604 50 20 CBGD O=C(NCC[C@@]1(O)CCCOC1)c1ccc(B(O)O)cc1 585004936 RZFKKIMZOSRFJZ-AWEZNQCLSA-N 293.128 -0.972 50 20 CBGD O=C(NC[C@@H]1CCN1C1CC1)c1ccc(B(O)O)cc1 585005374 GPRCNXITWIGGTM-ZDUSSCGKSA-N 274.129 -0.667 50 20 CBGD C[C@@](O)(CNCc1ccc(B(O)O)cc1)c1ccco1 585025769 CBGSWMSDXYHBCG-CQSZACIVSA-N 275.113 -0.043 50 20 CBGD CO[C@@H]1COCC[C@H]1CNCc1cccc(B(O)O)c1 585044103 YWSJZQXLCLJKJG-GXTWGEPZSA-N 279.145 -0.493 50 20 CBGD Cc1noc(C)c1S(=O)(=O)N1CC[C@@H](B(O)O)C1 585057505 FYQJJVIBLPRLQH-MRVPVSSYSA-N 274.107 -0.471 50 20 CBGD Cc1cccc(C)c1CS(=O)(=O)NCB(O)O 585059260 GWSVWONGXVONGR-UHFFFAOYSA-N 257.120 -0.265 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)NC2)c1 728826417 GIOQPYWVTYOIIH-NSHDSACASA-N 286.291 -0.155 50 20 CBGD O=C(CCn1ccnn1)NNC(=O)c1ccccn1 732048637 BTCWZTGSMKQJTD-UHFFFAOYSA-N 260.257 -0.476 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)C2CCC2)CCC1 732142328 WRRBELUEABXCCT-UHFFFAOYSA-N 253.302 -0.150 50 20 CBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=S)NC(C)(C)C 747522702 QJVZAMUVVGUNMU-ZETCQYMHSA-N 295.430 -0.039 50 20 CBGD O=C(NNC(=O)C1(O)CCOCC1)C1CCCC1 772139930 OXQLEFRLTQXCMS-UHFFFAOYSA-N 256.302 -0.135 50 20 CBGD Cc1c[nH]cc(C(=O)NNC(=O)c2cnn(C)c2)c1=O 781427252 JANNSZMNRYYQSX-UHFFFAOYSA-N 275.268 -0.508 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H]2C[C@@]2(CO)C1 782606475 RUYXTJIURAONPR-SBMIAAHKSA-N 255.318 -0.754 50 20 CBGD COCc1cc(C(=O)NNC(=O)C(C)(C)O)no1 787952077 XMWWCEQHDWWEPJ-UHFFFAOYSA-N 257.246 -0.647 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NOCCSC 793423289 HBPBNRFNXSRLQJ-QMMMGPOBSA-N 295.361 -0.337 50 20 CBGD O=C(NN=C1CC(=O)N2CCCC[C@@H]12)C(=O)NC1CC1 799474992 OVDWHUCKVLFNJP-JTQLQIEISA-N 278.312 -0.478 50 20 CBGD Cn1nnc2c(C(=O)NNC(=O)c3ccccn3)ccnc21 801101529 ANZNWMQHFWEOTM-UHFFFAOYSA-N 297.278 -0.167 50 20 CBGD CON(CC(=O)NNC(=O)C1CC1)CC1CCOCC1 801604186 MUGJRZCLIYYWIX-UHFFFAOYSA-N 285.344 -0.166 50 20 CBGD C#Cc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)cn1 807383459 WOYYTZIICNGXLT-UHFFFAOYSA-N 287.323 -0.335 50 20 CBGD O=C(O)c1cccc(C(=O)NNC(=O)[C@H]2COCCO2)c1 821549954 YBZXXXXAZXPCTL-SNVBAGLBSA-N 294.263 -0.439 50 20 CBGD CCN(CCO)NC(=O)Cn1cc(Br)cn1 823852306 CKPHNEWQPSTWID-UHFFFAOYSA-N 291.149 -0.009 50 20 CBGD CCN(CCO)NC(=O)[C@H]1COCCN1CC(F)F 823873678 GBBOEUCOWTVCRD-SECBINFHSA-N 281.303 -0.702 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCCCNC1=O 825687014 VUGAKXPLZGJEEU-LPEHRKFASA-N 298.343 -0.590 50 20 CBGD CCc1cccc(C(=O)NNC(=O)CN(C)C)n1 825703164 LITUFMIDWOIHPP-UHFFFAOYSA-N 250.302 -0.033 50 20 CBGD CC(C)(O)[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 832434689 DDIHSVJQWYQOEW-LBPRGKRZSA-N 291.156 -0.011 50 20 CBGD O=C(CN1CCC[C@H]([C@H]2CCNC2)C1)NNC(=O)C1CC1 843387693 HTLZTWZZKZLJHP-STQMWFEESA-N 294.399 -0.135 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)nn1 843650834 HVFSTVVUBWEWHC-SFYZADRCSA-N 280.284 -0.329 50 20 CBGD CO[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1cnn(C)c1 843653042 CZFXWLAZXFQLBR-GDPRMGEGSA-N 296.327 -0.320 50 20 CBGD Cc1nc(N)nc(C)c1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843979953 QSKYKUGKOCMQEN-DTWKUNHWSA-N 293.327 -0.138 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CC(N2CC[C@@H](O)C2)C1 843997460 GCUUSJKGEZNRMV-BZYZDCJZSA-N 265.313 -0.292 50 20 CBGD O=C(NNc1ccccc1)[C@H]1CCS(=O)(=O)N1 845855758 PGGWOKXLEBQOFA-SECBINFHSA-N 255.299 -0.179 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@]1(C)CCN(C(C)=O)C1 854924179 FXBMAQFEUBQNBN-NSHDSACASA-N 272.374 -0.288 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)c2cccc(F)n2)CC1 856424897 VNRMULSPORGGTC-UHFFFAOYSA-N 266.232 -0.753 50 20 CBGD CCC[C@@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858102966 HUWQGTJLBMCTPE-HTQZYQBOSA-N 256.306 -0.216 50 20 CBGD CC[C@@H]1C[C@H]1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858419960 UNTVOOIHESDLMC-BWZBUEFSSA-N 254.290 -0.606 50 20 CBGD COc1cc(C(=O)NNC(=O)N2CCOCC2)sn1 858906027 NSGBTJCGHKJICV-UHFFFAOYSA-N 286.313 -0.162 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)NC[C@H]1COCCN1 861681762 LXBKWZRYWRQYPW-VIFPVBQESA-N 272.349 -0.259 50 20 CBGD CCOC(C)(C)C(=O)NNC(=O)Cc1cc[nH]n1 865197043 BCNAJSZYDIWGIE-UHFFFAOYSA-N 254.290 -0.085 50 20 CBGD COCCOCC(=O)NNC(=O)CCOC(C)C 869910885 NUEJVLFAAWUZSX-UHFFFAOYSA-N 262.306 -0.388 50 20 CBGD COC(=O)[C@@H](NS(=O)(=O)CCCCl)[C@@H](C)O 885505071 HWJCDQGGGPMHIL-RQJHMYQMSA-N 273.738 -0.543 50 20 CBGD CNC(=O)NNC(=O)c1cnc2cc(C)nn2c1C 919877747 ZLIQPRNSQZKDEB-UHFFFAOYSA-N 262.273 -0.080 50 20 CBGD Cn1cncc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1ncccn1 1118711941 FGEPAKZIIRUJSH-RKDXNWHRSA-N 286.295 -0.225 50 20 CBGD O=C(Cn1cncn1)NNc1nc(-c2ccncc2)no1 1318479046 ONQAQKYRUPKHPD-UHFFFAOYSA-N 286.255 -0.134 50 20 CBGD CC(C)c1nnc(CCC(=O)NNC(=O)CN(C)C)o1 1318880381 HOTPZERHELHJSJ-UHFFFAOYSA-N 283.332 -0.165 50 20 CBGD O=C(NNC(=O)C1=CCCC1)N[C@H]1CCS(=O)(=O)C1 1319314975 VPYGDPXGDLANRM-VIFPVBQESA-N 287.341 -0.386 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1ncc(C)s1 1320541666 YUOMXTHXHMJRKT-UHFFFAOYSA-N 256.287 -0.053 50 20 CBGD O=C(CCc1cccnc1)NNC(=O)C(=O)N1CCCC1 1320929767 GCWCUIRKEVGVPX-UHFFFAOYSA-N 290.323 -0.216 50 20 CBGD COC1(C(=O)NNC(=O)Cc2cccnc2)CCOCC1 1322972800 DASBESKFMDQJIG-UHFFFAOYSA-N 293.323 -0.033 50 20 CBGD CC(=O)NCCN(C)C(=O)NNC(=O)c1cccc(C)n1 1325975888 JWKZCWUOGILLGB-UHFFFAOYSA-N 293.327 -0.188 50 20 CBGD N#Cc1cccc(NC(=O)C(=O)NNC(=O)CC2CC2)n1 1326354118 RQUXYHWPXKAZMR-UHFFFAOYSA-N 287.279 -0.161 50 20 CBGD Cc1ncc(C(=O)NNC(=O)C(=O)NC(C)C)s1 1338095253 ATJAZLWYHIPRFH-UHFFFAOYSA-N 270.314 -0.263 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1 1339046401 YVISNHHXIUFHSC-KCJUWKMLSA-N 281.316 -0.743 50 20 CBGD Cc1noc(CCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1 1346068230 KFHLLCUMFAHDLS-IONNQARKSA-N 282.300 -0.117 50 20 CBGD CN(C)CCn1cc(C(=O)NNC(=O)NC2CC2)cn1 1348523457 BTPSSQOEVZPCSD-UHFFFAOYSA-N 280.332 -0.449 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CNCCC1(F)F 1579056567 PTHYUXNMONJYPI-QMMMGPOBSA-N 295.286 -0.958 50 20 CBGD O=S(=O)(CBr)N1CCCOC12CNC2 1580860950 OJQFVMWLLBYJOD-UHFFFAOYSA-N 285.163 -0.310 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cccnc1C(=O)O 1593858713 UISZUHZWYIMNKJ-UHFFFAOYSA-N 282.212 -0.895 50 20 CBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=S)NC(C)(C)C 1593927241 USNHWSZNLWKQOI-SNVBAGLBSA-N 277.346 -0.230 50 20 CBGD CN(CCCCNC(=O)NNC(=O)C(=O)O)C1CC1 1598476367 TXAHHFHVIAVAMP-UHFFFAOYSA-N 272.305 -0.724 50 20 CBGD O=C(CC1CC1)NNC(=O)CN1CCC[C@@H](C(=O)O)C1=O 1601248921 XLSLDBXANKNKMI-SECBINFHSA-N 297.311 -0.743 50 20 CBGD O=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12)c1ccc(B(O)O)cc1 1601572920 UNMHIRBSEFRFRG-KXNHARMFSA-N 289.096 -0.795 50 20 CBGD CC(C)(C)[C@H](C(=O)O)C(=O)NNc1ccc(C(N)=O)nn1 1602852382 AZNKYZLLYCAXCW-QMMMGPOBSA-N 295.299 -0.235 50 20 CBGD Cc1nnc(NNC(=O)C[C@H](C)CC(=O)O)nc1O 1608018108 DGEUOXUTBHCFOS-YFKPBYRVSA-N 269.261 -0.170 50 20 CBGD C[C@H](CC(=O)O)NC(=O)NNC(=O)Cc1ccccn1 1609885945 TWNOJVMBJQHHSC-MRVPVSSYSA-N 280.284 -0.182 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cnccn1 27131159 IXTRGJKKKYEKGA-UHFFFAOYSA-N 289.251 -0.739 50 20 CBGD Cc1ncsc1C(=O)NNC(=O)C(=O)NC1CC1 46585081 OECCIDYRHJNUMA-UHFFFAOYSA-N 268.298 -0.509 50 20 CBGD Cc1ccc(CC(=O)NNC(=O)CN(C)C)cn1 113427862 KFHYCVWYPDJBGM-UHFFFAOYSA-N 250.302 -0.358 50 20 CBGD COc1cccc(NNC(=O)[C@H]2CN(C)CCO2)n1 180694991 UTJBQDRWMCBGPZ-SECBINFHSA-N 266.301 -0.136 50 20 CBGD O=C(CO)NNC(=O)Cc1cnn(-c2ccccc2)c1 182764809 DRTNAANJGHXXHR-UHFFFAOYSA-N 274.280 -0.446 50 20 CBGD CCS(=O)(=O)NCC(=O)NNc1nc(C)cc(C)n1 270207856 FPCHGKSVWDEPQR-UHFFFAOYSA-N 287.345 -0.524 50 20 CBGD CN(NC(=O)C(C)(C)NC(=O)C(F)(F)F)C(N)=O 277350359 NVPYPOFBSQSODR-UHFFFAOYSA-N 270.211 -0.515 50 20 CBGD CCOC(=O)C(C)(C)C(=O)NNC(=O)C(C)(C)O 278006203 RHGVQPHSTPJOOY-UHFFFAOYSA-N 260.290 -0.506 50 20 CBGD CC[C@](C)(OC)C(=O)NNc1ccc(C(N)=O)nn1 281332946 AULPORWJGHQQFE-NSHDSACASA-N 267.289 -0.166 50 20 CBGD C[C@H]1CCNC(=O)[C@H]1NC(=O)NNc1ncncc1F 293384456 OJSVZMCETPHIEX-XPUUQOCRSA-N 282.279 -0.234 50 20 CBGD O=C(N[C@@H]1CCc2n[nH]cc2C1)c1ccc(B(O)O)cc1 584963177 QHFTZLIPTHDGRI-GFCCVEGCSA-N 285.112 -0.623 50 20 CBGD O=C(N[C@H]1CCCC[C@@H]1O)c1cccc(B(O)O)c1 584963936 GGQSQQYDXDVFKK-RYUDHWBXSA-N 263.102 -0.600 50 20 CBGD C[C@@H](NC(=O)c1cc(B(O)O)ccc1F)c1ncn(C)n1 584977885 SZKUOPVLJKWVIQ-SSDOTTSWSA-N 292.079 -0.875 50 20 CBGD C[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@H]1CO 584980804 LCNBWGFDLDPYQS-KOLCDFICSA-N 263.102 -0.933 50 20 CBGD O=C(N[C@@H]1CCSC1)c1ccc(B(O)O)c(F)c1 584985206 IPXGVLJQWOIITE-MRVPVSSYSA-N 269.106 -0.259 50 20 CBGD C[C@]1(O)CCCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584985917 SGZSYWIJRZRJII-AWEZNQCLSA-N 295.119 -0.117 50 20 CBGD O=C(NCCC1CSC1)c1cccc(B(O)O)c1 585000816 NZSZDUHPXDNGLV-UHFFFAOYSA-N 265.143 -0.151 50 20 CBGD C[C@@H](CN1CCOC[C@H]1C)NCc1cccc(B(O)O)c1 585022389 YJKGMHHAMVEJIA-QWHCGFSZSA-N 292.188 -0.435 50 20 CBGD CCCCN(C)CCNCc1ccc(B(O)O)o1 585023033 BMABJMYQNPBZSB-UHFFFAOYSA-N 254.139 -0.219 50 20 CBGD OB(O)c1cccc(CNC[C@@]2(O)CCSC2)c1 585026737 RAGSIQUIZXSJCE-LBPRGKRZSA-N 267.159 -0.676 50 20 CBGD C[C@@H](CC[S@@](C)=O)NCc1ccccc1B(O)O 585029556 ATKKHEQBBYTPOR-XTZNXHDOSA-N 269.175 -0.387 50 20 CBGD CNC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(B(O)O)cc1 585031511 GDQFCNXWUVTJGN-OLZOCXBDSA-N 276.145 -0.629 50 20 CBGD COc1ccccc1OCC(=O)NNC(=O)CN(C)C 727481241 AIEVOAGMZMINQY-UHFFFAOYSA-N 281.312 -0.217 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)C[C@@H](C)C(=O)OC 733870285 PXXSDTJJWJRLTD-RKDXNWHRSA-N 273.333 -0.327 50 20 CBGD CC(C)n1cc(S(=O)(=O)NNC(=O)N(C)C)cn1 741652840 IBYYMRSBFUMWLV-UHFFFAOYSA-N 275.334 -0.072 50 20 CBGD COC(C)(C)CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 745890050 MWRONXKYLFGKKL-LLVKDONJSA-N 293.389 -0.208 50 20 CBGD Cc1cnc(C(=O)NNC(=O)N2CCOCC2)cn1 745992799 KSKXWRYNGAURMU-UHFFFAOYSA-N 265.273 -0.528 50 20 CBGD COc1cc(C(=O)NNC(=O)CO)c([N+](=O)[O-])cc1OC 753441120 YWVMNLOTICQJOD-UHFFFAOYSA-N 299.239 -0.635 50 20 CBGD O=C(CO)NNC(=O)c1cnnn1-c1ccccc1Cl 753442536 HPUOMCIHCGDJCO-UHFFFAOYSA-N 295.686 -0.326 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc2nc[nH]c2n1 755279550 ODKXMGCNMXQNIS-UHFFFAOYSA-N 285.267 -0.315 50 20 CBGD CN(CC(=O)NNC(=O)c1ccccc1)[C@@H]1CCNC1=O 759426745 XIICOPVPIKCAPC-LLVKDONJSA-N 290.323 -0.732 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](N2CCCC2=O)C1 761114195 MADPLSXDHNRNDP-MNOVXSKESA-N 296.371 -0.371 50 20 CBGD Cc1nccn1CCCC(=O)NNC(=O)C(C)(C)O 768245226 SXGLQIZCNWPGPX-UHFFFAOYSA-N 268.317 -0.110 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CNc1ccc(C#N)cn1 768256436 PTEACLXYYJLOSD-UHFFFAOYSA-N 277.284 -0.717 50 20 CBGD CCn1cc(CC(=O)NNC(=O)c2cnn(C)c2)cn1 780750108 KGARQZNIESZPLK-UHFFFAOYSA-N 276.300 -0.360 50 20 CBGD CN1CCN(CC(=O)NNc2cccnc2Cl)CC1=O 781945412 LZXDOJVZIOVCRR-UHFFFAOYSA-N 297.746 -0.048 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCOC1 790063456 KBFHMIRQXYGTEF-SECBINFHSA-N 274.317 -0.041 50 20 CBGD O=C(Cc1ncccc1F)NNC(=O)C(=O)N1CCCC1 792115284 KQXSSXBUCKALNO-UHFFFAOYSA-N 294.286 -0.467 50 20 CBGD O=C(NNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccncc1 794605977 VCEJBBHKBICTPY-UHFFFAOYSA-N 276.212 -0.212 50 20 CBGD Cn1nnc2c(C(=O)NN=c3cc[nH]cc3)ccnc21 801186229 FTBISTRLLCDDNI-UHFFFAOYSA-N 269.268 -0.063 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)CCCOC(C)=O 805064575 MFPSBFIWRIQFCI-UHFFFAOYSA-N 281.334 -0.565 50 20 CBGD Cn1ncc(C(=O)NNC(=O)CCc2ccccc2O)n1 806805509 AKSVZEOSNUTJSP-UHFFFAOYSA-N 289.295 -0.086 50 20 CBGD CC(=O)NN=Cc1ccc(F)c(S(N)(=O)=O)c1 807943704 ZVPSZEAOFHCLCC-UHFFFAOYSA-N 259.262 -0.057 50 20 CBGD COc1cnc(C(=O)NNC(=O)c2ccc[nH]2)nc1 814796957 YBHMQYBSWYNOLS-UHFFFAOYSA-N 261.241 -0.112 50 20 CBGD Cc1nc[nH]c1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 824016974 XFECAYHMVPZLAK-HTQZYQBOSA-N 252.274 -0.096 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCn1ccnc1 825583283 MZRVVDLUKIGQJO-ZJUUUORDSA-N 281.316 -0.362 50 20 CBGD CN(NC(=O)c1cccc(-c2nn[nH]n2)c1)C(N)=O 826004260 PXQAOKSPHYMXKM-UHFFFAOYSA-N 261.245 -0.478 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)[C@@H]3C[C@H]3C(=O)O)nc21 833061292 CELDWLJMXGFMMB-RFZPGFLSSA-N 292.255 -0.767 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CCCN1C(=O)C1CC1 843774920 KEOZMXQURHJGLS-VIFPVBQESA-N 268.317 -0.262 50 20 CBGD CNc1nnc(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)s1 843970531 HOWQNPWTIRFALG-NKWVEPMBSA-N 299.356 -0.305 50 20 CBGD CC[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)[C@@H](C)O 844146421 MXAAUZCXBABFLB-XFWSIPNHSA-N 258.318 -0.034 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@@H]1CCc2nnnn2CC1 845324215 XFOWFUGSMHASON-MRVPVSSYSA-N 281.320 -0.636 50 20 CBGD CC(C)(O)C(=O)NNC(=O)C1(n2cnnn2)CCCCC1 845992542 NPGQPYHQYBDQMH-UHFFFAOYSA-N 296.331 -0.749 50 20 CBGD COCCN(C)NC(=O)c1ccnc2c1nnn2C 848377905 FODJHAXJBQUEGE-UHFFFAOYSA-N 264.289 -0.414 50 20 CBGD CCn1ncn(NC(=O)/C(C#N)=C/c2cnn(C)c2)c1=O 854626998 CFCVBNLGROMWJH-ONNFQVAWSA-N 287.283 -0.525 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@H]1NC(=O)O[C@@H]1C)C1CC1 855099545 IHTIJMHHRJVHDB-BBVRLYRLSA-N 286.357 -0.223 50 20 CBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ncc[nH]2)C[C@H](C)O1 856758803 MUQCZPFNXGMMNV-UWVGGRQHSA-N 295.343 -0.330 50 20 CBGD C[C@@]1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCCO1 858290753 XGEZUCABTLNMQT-UFBFGSQYSA-N 284.316 -0.836 50 20 CBGD CC1(C)C[C@@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858538165 JUUZUESZOLCUDG-BQBZGAKWSA-N 254.290 -0.606 50 20 CBGD CNC(=O)NNC(=O)[C@@]1(C2CCCC2)CCNC1=O 858748430 SWJRHFMNPYZYSI-GFCCVEGCSA-N 268.317 -0.357 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O 861452695 XRQHCZVLIWSDCB-UHFFFAOYSA-N 297.292 -0.758 50 20 CBGD COC(=O)CCCN(C)C(=O)c1cccc(B(O)O)c1 863869492 PEPTWPBCORKNGP-UHFFFAOYSA-N 279.101 -0.608 50 20 CBGD CCOC(=O)[C@H](C)NC(=O)c1cccc(B(O)O)c1 864982219 ZGNKMSPUCOUMSW-QMMMGPOBSA-N 265.074 -0.952 50 20 CBGD COCCCNC(=O)NNC(=O)C1(CN(C)C)CC1 874194652 GDJFGLAOMQSEGE-UHFFFAOYSA-N 272.349 -0.305 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@@H]1CCCS1(=O)=O 899999202 CXULFASUMDNOHJ-ZETCQYMHSA-N 293.414 -0.143 50 20 CBGD Cc1nn(C)c(=O)c(C(=O)NN(C)C[C@H](C)O)c1C 910160628 MDUINADYNZITKV-ZETCQYMHSA-N 268.317 -0.645 50 20 CBGD O=C(CN1CCCCCC1=O)NNC(=O)[C@H]1CCOC1 921202737 BZSKYXNLBAHHSM-JTQLQIEISA-N 283.328 -0.427 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@H](N(C)C)[C@@H]1C 931036895 JAVKVJDPJAOOKP-QWRGUYRKSA-N 270.377 -0.186 50 20 CBGD NC(=O)CSCC(=O)NNC(=O)NCC(F)(F)F 1256495190 FOTLBRXTXRKICT-UHFFFAOYSA-N 288.251 -0.902 50 20 CBGD COC(=O)C(=O)NNC(=O)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 1319825050 HTXVSZGLNMZMOT-RULNZFCNSA-N 267.285 -0.466 50 20 CBGD CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccnn1C 1324644153 BSSMJZTZCILBIK-SECBINFHSA-N 284.341 -0.305 50 20 CBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccnc(O)c1 1329110668 NFYNTNZDNGUAJB-VIFPVBQESA-N 262.269 -0.094 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCc2nnn(C)c2C1 1334201823 KAEMMXRKYVBZBJ-RKDXNWHRSA-N 267.333 -0.736 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CO)c(Cl)n1 1336386472 QDBWGMWSXCKHHK-UHFFFAOYSA-N 286.675 -0.878 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1ccccc1CO 1343129062 MQMLYUCGUOAFHZ-UHFFFAOYSA-N 293.323 -0.607 50 20 CBGD C[C@H](C(=O)NNC(=O)NC1CCNCC1)[C@@H]1CCCO1 1575069701 PRYFPLPRKFLLCP-ONGXEEELSA-N 284.360 -0.116 50 20 CBGD O=C(CC1(O)CNC1)NNc1cccc([N+](=O)[O-])c1 1580515170 MWOXBFOCOOOYNT-UHFFFAOYSA-N 266.257 -0.238 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O 1590882627 JZEJUEBQPRJQRG-JGVFFNPUSA-N 272.301 -0.204 50 20 CBGD C[C@H](O)CN(C)NC(=O)CCCn1ccc(C(=O)O)n1 1593456455 GUQOLEGWUHWQDM-VIFPVBQESA-N 284.316 -0.295 50 20 CBGD COc1ccc(F)cc1CNC(=O)NNC(=O)C(=O)O 1599583743 YTQFBQLREGYHSV-UHFFFAOYSA-N 285.231 -0.251 50 20 CBGD O=C(O)CCCCCNC(=O)c1cccc(B(O)O)c1 1601985437 JGHCOCIUKOHPFO-UHFFFAOYSA-N 279.101 -0.259 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCCC(=O)O 1603480556 WWJHASIEGISRID-HTQZYQBOSA-N 258.274 -0.186 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cncc(C(=O)O)c1 1609878780 LNIUKDGVRLGJIH-XVKPBYJWSA-N 293.279 -0.034 50 20 CBGD COc1cc(C=NNC(=O)C(N)=O)ccc1OCC(=O)O 1776017708 ZLHBQUXSNNAQEK-UHFFFAOYSA-N 295.251 -0.906 50 20 CBGD O=C(CO)NN=Cc1cn(C2CCOCC2)nc1C(=O)O 1776052688 IPNSQRAYUFEXAA-UHFFFAOYSA-N 296.283 -0.625 50 20 CBGD C[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847564445 WMEFMXJJDDBSNG-AATLWQCWSA-N 290.747 -0.831 50 20 CBGD COC(=O)NNS(=O)(=O)c1ncn(C)c1Cl 26528833 BCBCJPHRNZQSPG-UHFFFAOYSA-N 268.682 -0.377 50 20 CBGD O=C(NNC(=O)[C@H]1COCCO1)c1ccccn1 48073087 PMZCKHGXHGDPBT-SECBINFHSA-N 251.242 -0.742 50 20 CBGD CCNC(=O)NNC(=S)NCCCC(=O)OC 64937061 CNBKPERFKMAFPJ-UHFFFAOYSA-N 262.335 -0.362 50 20 CBGD CN(CC#N)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 75828851 HIICYSOTVGZBIR-UHFFFAOYSA-N 291.267 -0.189 50 20 CBGD C[C@H]1CO[C@H](CO)CN1S(=O)(=O)CBr 127558256 ZRBFEZWYMPVPLV-BQBZGAKWSA-N 288.163 -0.250 50 20 CBGD CCCc1cc(NC(=O)NNC(=O)CCO)n(C)n1 127888047 JKMWUHRHOJIINT-UHFFFAOYSA-N 269.305 -0.092 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cccc(C(N)=O)c2)[nH]n1 151201726 PDZOYSMDCREVIY-UHFFFAOYSA-N 287.279 -0.108 50 20 CBGD COC[C@H](C)CNC(=O)NNC(=O)C(=O)N1CCCC1 265578307 QDTJFKWHZZIUDB-SECBINFHSA-N 286.332 -0.778 50 20 CBGD CN1CCO[C@H](C(=O)NNc2cccc(F)n2)C1 286689403 XMXMTVKMCPQDSE-QMMMGPOBSA-N 254.265 -0.006 50 20 CBGD Cc1cc(C(=O)NNC(=O)N2CCN(C)CC2)ccn1 288140630 ZUTGAPHHOPWWCX-UHFFFAOYSA-N 277.328 -0.008 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1cc[nH]n1 494641657 RTNQNMHUCUDHEM-UHFFFAOYSA-N 283.288 -0.305 50 20 CBGD CC[C@H](O)CCNC(=O)c1cccc(B(O)O)c1 584959667 JYSILPYUVOIQOR-NSHDSACASA-N 251.091 -0.743 50 20 CBGD O=C(N[C@H]1CCCC[C@H]1CO)c1ccc(B(O)O)c(F)c1 584959938 MLVWTKZYPQZGIT-GWCFXTLKSA-N 295.119 -0.214 50 20 CBGD O=C(NCCO[C@H]1CCCCO1)c1cccc(B(O)O)c1 584990608 GLEJWOVPZJCOGM-ZDUSSCGKSA-N 293.128 -0.361 50 20 CBGD CN1CC[C@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 584990964 PIVRDLWUEHATOU-ZIAGYGMSSA-N 288.156 -0.325 50 20 CBGD COc1ccc([C@H](O)CNCc2ccc(B(O)O)o2)cc1 585017670 HNABALKQTDEYNQ-CYBMUJFWSA-N 291.112 -0.209 50 20 CBGD C[C@H]1CCCN1CCNCc1ccc(B(O)O)o1 585034638 SBKXIEZPGFAOSB-JTQLQIEISA-N 252.123 -0.467 50 20 CBGD Cc1ncc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)s1 585057841 LTUKOMIFVMRNED-SSDOTTSWSA-N 276.148 -0.311 50 20 CBGD C[C@H]1CCN(S(=O)(=O)N2CC[C@@H](B(O)O)C2)C1 585058640 LPAQZJUFMCNKSQ-DTWKUNHWSA-N 262.140 -0.878 50 20 CBGD O=C(NCB(O)O)c1ccn(-c2cccc(F)c2)n1 585061807 HOAGQBZQVWOYRS-UHFFFAOYSA-N 263.037 -0.247 50 20 CBGD NC(=O)c1ccc(/C=C/C(=O)N2CC[C@H](B(O)O)C2)cc1 585069771 SARGOBHILHHJLA-UXONFWTHSA-N 288.112 -0.126 50 20 CBGD C=CCNc1ncc(C(=O)N2CC[C@H](B(O)O)C2)s1 585074061 SDTZWXNABPLGRB-QMMMGPOBSA-N 281.146 0.430 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cccnc1 728435666 GNSVFRISNXMLEY-SECBINFHSA-N 284.341 -0.141 50 20 CBGD COCCN1C[C@H](C(=O)NNC(=O)C2CCC2)CC1=O 732140506 AOYDBONHXDDTNK-SNVBAGLBSA-N 283.328 -0.571 50 20 CBGD Cn1cc(C(=O)NN[C@@H](C(N)=O)c2ccccc2)cn1 735506680 JWRHWGCUYHLSSE-LLVKDONJSA-N 273.296 -0.119 50 20 CBGD O=C(NNS(=O)(=O)C[C@H]1CCCO1)c1ccc[nH]1 735646421 QLMUIFKKJLJWOC-MRVPVSSYSA-N 273.314 -0.242 50 20 CBGD COc1ccc(C(=O)NNC(=O)c2ccccn2)nn1 737763147 KFLHMFIQEFJQAO-UHFFFAOYSA-N 273.252 -0.045 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)NC1CCCC1 746173105 FUEDFWHMWBDQDD-SSDOTTSWSA-N 292.361 -0.803 50 20 CBGD C[C@@H](C[S@@](C)=O)NC(=O)NNc1ncccn1 753359803 SIMBZTYOWZKNPG-BWKAKNAASA-N 257.319 -0.130 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)c1cnc2[nH]nnc2c1 755253967 GHOJTSJZCFMENY-UHFFFAOYSA-N 297.278 -0.248 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1 764429709 WIVCYGHPPVPOPV-UHFFFAOYSA-N 291.185 -0.818 50 20 CBGD CCN1CCCN(CC(=O)NNC(=O)C(C)(C)C)CC1=O 787326894 ZZUNFKLHCOSELB-UHFFFAOYSA-N 298.387 -0.266 50 20 CBGD CSC1(C(=O)NNC(=O)N2CCN(C)CC2)CC1 788168810 DNXZRVOMKFQPTF-UHFFFAOYSA-N 272.374 -0.130 50 20 CBGD CCN([C@H]1CCNC1=O)[C@H](C)C(=O)NNC(=O)CC(C)C 799353152 BTUKIDJEIXPWEP-MNOVXSKESA-N 298.387 -0.221 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](CC(N)=O)C1 808773443 LSFMSEZROBOIDX-MNOVXSKESA-N 298.387 -0.234 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCCC12OCCO2 823923003 OIRBSVBBPAVTNG-VHSXEESVSA-N 258.318 -0.127 50 20 CBGD Cc1nn2cccnc2c1C(=O)NN(C)[C@H](C)CO 823971732 YTTWQZWCFPAZBE-MRVPVSSYSA-N 263.301 -0.005 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CC1(O)CCC1 843966769 NAEVIMDQCHLFTH-DTWKUNHWSA-N 256.302 -0.136 50 20 CBGD CCCN1C[C@H](C(=O)NNC(=O)c2cc[nH]n2)CC1=O 855354382 CNKYPXVKIAUKDL-MRVPVSSYSA-N 279.300 -0.571 50 20 CBGD C[C@@H]1[C@H](C(=O)NNC(=O)c2cc[nH]n2)CCN1C 855355504 ZUNYQGHXBOUTLJ-HTQZYQBOSA-N 251.290 -0.489 50 20 CBGD O=C(NNC(=O)[C@H]1COCCO1)OCC(F)(F)F 856025072 JFEXATQQELSDAA-RXMQYKEDSA-N 272.179 -0.279 50 20 CBGD COC(=O)NNC(=O)Cc1nnn(C(C)(C)C)n1 856758112 YZRJXIJRPASXFB-UHFFFAOYSA-N 256.266 -0.642 50 20 CBGD C[C@@]1(C#N)CCCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858699354 ORZUMFIACXWCSK-RNCFNFMXSA-N 293.327 -0.369 50 20 CBGD COC(=O)[C@H](NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 863379144 PBHKFTPWXKDHRT-ZYHUDNBSSA-N 291.307 -0.200 50 20 CBGD C[C@H]1CCCN1S(=O)(=O)NNC(=O)c1cn[nH]c1 863414475 XOHSSVCAFHTZBA-ZETCQYMHSA-N 273.318 -0.627 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C(F)(F)C(F)F 863462521 GDAJKTCXPGZROH-UHFFFAOYSA-N 280.199 -0.921 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)nc1 863464942 YUNZEHWQMMNHMM-UHFFFAOYSA-N 271.298 -0.804 50 20 CBGD CC[C@](C)(NC(=O)c1cccc(B(O)O)c1)C(=O)OC 863872462 SIXXMDDROYJQFZ-ZDUSSCGKSA-N 279.101 -0.562 50 20 CBGD O=C(CCC1(O)CCC1)NNC(=O)N1CCOCC1 865045904 BWLZHJPRLSSFFZ-UHFFFAOYSA-N 271.317 -0.245 50 20 CBGD CC(C)(CCl)CS(=O)(=O)N1C[C@H](O)[C@@H](CO)C1 867388203 JISDWPZLIXIMKZ-BDAKNGLRSA-N 285.793 -0.134 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCN1C1CCCC1 873837000 IRMXHNGRKIWAOT-NSHDSACASA-N 296.371 -0.325 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1)c1nnnn1C1CC1 877474006 QKMCUZXGRKMKMR-VIFPVBQESA-N 287.132 -0.461 50 20 CBGD CN(CC(=O)NNC(=O)c1cccnn1)[C@H]1CCSC1 882057221 QXOCGEVZBYAHRV-VIFPVBQESA-N 295.368 -0.325 50 20 CBGD COc1nn(C)cc1C(=O)NNC(=O)CC1CC1 883971126 PXODTOCYBLZRTO-UHFFFAOYSA-N 252.274 -0.010 50 20 CBGD C=CC(=O)N(CC)CC(=O)NNC(=O)NCCC 900393635 MCDJRGRLWOYHKL-UHFFFAOYSA-N 256.306 -0.239 50 20 CBGD CN1CCO[C@H](C(=O)NNc2cccc(F)n2)C1=O 908171285 OSPBLXMQUXUACP-SECBINFHSA-N 268.248 -0.479 50 20 CBGD CC(C)(C(=O)NNC(=O)[C@H]1CCC(=O)N1)N1CCCCC1 912977538 IWTHTFCYYZRTQQ-SNVBAGLBSA-N 296.371 -0.323 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CCn2ccnc2C1 1116701510 ZQVFCBPCVDIXEU-VIFPVBQESA-N 281.316 -0.435 50 20 CBGD CCNC(=O)CC(=O)NNc1ccc(-n2ccnc2)nn1 1117277497 HXGXAQNNSXAYMC-UHFFFAOYSA-N 289.299 -0.368 50 20 CBGD Cc1c(S(=O)(=O)NNC(=O)N(C)C)cnn1C 1117679131 NIXCHCFWRVHCEH-UHFFFAOYSA-N 261.307 -0.807 50 20 CBGD Cn1nnc2cc(C(=O)N3CC[C@H](B(O)O)C3)ccc21 1118976015 TUHIZBVBTHNHIY-VIFPVBQESA-N 274.089 -0.343 50 20 CBGD C[C@@H]1CNC[C@H]1CNC(=O)NNC(=O)[C@@H]1CCCCO1 1120553840 CFQIYMUIMRAFBW-VWYCJHECSA-N 284.360 -0.259 50 20 CBGD COC(=O)c1occc1C=NNC(=O)[C@@H]1CCC(=O)N1 1261833373 VYYOKGRQDPGIRS-QMMMGPOBSA-N 279.252 -0.205 50 20 CBGD Cn1cc(C(=O)NNc2ccc(Cl)nn2)c(O)nc1=O 1318586751 WBCHNOGVDWPFQA-UHFFFAOYSA-N 296.674 -0.314 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCCOc1ccccc1 1318877989 VFSSDUPXLYVAKZ-UHFFFAOYSA-N 295.295 -0.041 50 20 CBGD Cn1nccc1NC(=O)C(=O)NNC(=O)c1ccccc1 1320088731 SBZUIXYELMBVHG-UHFFFAOYSA-N 287.279 -0.180 50 20 CBGD O=C(NN=c1cc[nH]cc1)[C@@H]1CCS(=O)(=O)C1 1323596986 ZWVKJWRITQPNAE-MRVPVSSYSA-N 255.299 -0.619 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)NOCC(F)(F)F 1329735877 PNUNMODQSTUFQX-UHFFFAOYSA-N 267.167 -0.152 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2conc2C2CC2)N1 1330109355 VHMJJJBHRRYSGH-MRVPVSSYSA-N 278.268 -0.408 50 20 CBGD CC(C)OC(=O)C(C)(C)NC(=O)c1cccc(B(O)O)c1 1336641875 KJSCIOLSLQDYCK-UHFFFAOYSA-N 293.128 -0.174 50 20 CBGD CN1CCN(CC(=O)NNc2ncc(F)cn2)CC1 1341258154 QVEAKHJROOLPIU-UHFFFAOYSA-N 268.296 -0.694 50 20 CBGD O=C(CCO)NNC(=O)Nc1ccc(-n2nccn2)cc1 1342575108 XCDGYFHXNGEDJF-UHFFFAOYSA-N 290.283 -0.198 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCCCN2)CC1 1573884362 DKIHCNQKJFZNFB-JTQLQIEISA-N 269.349 -0.883 50 20 CBGD O=C(O)CC[C@H]1C[C@@H](C(=O)NNc2nc[nH]n2)CO1 1574686273 JVYRBERLKBJFFO-RQJHMYQMSA-N 269.261 -0.482 50 20 CBGD CCN(CC(=O)NNC(=O)C(C)C)C(C)(C)C(=O)O 1596206460 BMOUZSNGLWHNFF-UHFFFAOYSA-N 273.333 -0.025 50 20 CBGD COC(=O)[C@@H]1CC[C@@H](C(=O)O)CN1S(=O)(=O)CCl 1606388131 LWLFUCZBCYBEQC-RQJHMYQMSA-N 299.732 -0.149 50 20 CBGD O=C(O)Cn1ccc(NC(=O)NNc2ncccn2)n1 1608798897 CJXNUINXKWMAKV-UHFFFAOYSA-N 277.244 -0.094 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)CC1(C(=O)O)CCC1 1610009051 MULJVHMXQXXXFK-UHFFFAOYSA-N 293.345 -0.263 50 20 CBGD C[C@H]1CN(C)C[C@@H](C(=O)NN=Cc2c[nH]c(C(=O)O)c2)O1 1776092421 LTNRLXHGSVLEON-KWQFWETISA-N 294.311 -0.118 50 20 CBGD CC(=O)NNC(=O)CN1C(=O)c2ccc(C)cc2C1=O 44999484 JWQVGZUPGXFDAA-UHFFFAOYSA-N 275.264 -0.242 50 20 CBGD Cc1cnn(CCC(=O)NNC(=O)C(=O)NC2CC2)c1 48759100 WPZZPGQZSUBCNL-UHFFFAOYSA-N 279.300 -0.992 50 20 CBGD Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NN(C)C(N)=O 182642953 HEZKQHZWAKFBSZ-UHFFFAOYSA-N 292.299 -0.776 50 20 CBGD Cc1ccccc1NNC(=O)CN1C(=O)CNC1=O 192733939 GFLTXHOUTLIPFD-UHFFFAOYSA-N 262.269 -0.010 50 20 CBGD CO[C@H](C)C(=O)NNc1nccc(N2CCOCC2)n1 268583854 KIBDIFQVWPWSON-SECBINFHSA-N 281.316 -0.209 50 20 CBGD O=C(NNS(=O)(=O)c1ccoc1)[C@@H]1CCCO1 292202063 ZXKMSSVXNAGCDQ-QMMMGPOBSA-N 260.271 -0.232 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CSCCS1 298137886 CEIHFTLZKZOYTG-ZETCQYMHSA-N 291.398 -0.493 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 299381176 NWNLCWMMJIDBSS-RDDDGLTNSA-N 286.357 -0.257 50 20 CBGD CS(=O)(=O)N1CCC[C@H](NC(=O)CCl)C1 306801116 QKHPCRQIRQKDAU-ZETCQYMHSA-N 254.739 -0.235 50 20 CBGD CC(C)(C)OC(=O)N1CC2(CC(=NNC(=O)C(N)=O)C2)C1 495718396 FEMHHLAELVLLQD-UHFFFAOYSA-N 296.327 -0.025 50 20 CBGD CC(C)CNC(=O)COc1ccc(B(O)O)cc1 584909394 KVOSDQATGZXJNP-UHFFFAOYSA-N 251.091 -0.483 50 20 CBGD C[C@@](O)(C(=O)Nc1cccc(B(O)O)c1)C1CCOCC1 584912932 XYQDIGBLUIDREQ-AWEZNQCLSA-N 293.128 -0.518 50 20 CBGD CC(C)N(C)CCNC(=O)c1ccc(B(O)O)cc1 584945086 GNEFGUWYUWJSII-UHFFFAOYSA-N 264.134 -0.564 50 20 CBGD C[C@H]1[C@H](NC(=O)c2cc(B(O)O)ccc2F)CCCN1C 584972867 IOVAVIVVMVWFNO-TVQRCGJNSA-N 294.135 -0.282 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@H](CO)CC1 584995512 WDVNIHUTDFQPAT-NSHDSACASA-N 277.129 -0.399 50 20 CBGD C[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@@]1(C)CO 585009127 PXULOCNZHZRJDP-OTYXRUKQSA-N 295.119 -0.404 50 20 CBGD C[C@@H](CN1CCOC[C@@H]1C)NCc1cccc(B(O)O)c1 585022390 YJKGMHHAMVEJIA-STQMWFEESA-N 292.188 -0.435 50 20 CBGD C[C@@]1(CNCc2ccc(B(O)O)o2)CCCC[C@H]1O 585026959 UZTPNOKFPWNXPP-YPMHNXCESA-N 267.134 -0.010 50 20 CBGD C[C@H]1CN(C)C[C@@H]1NCc1ccc(B(O)O)cc1F 585031428 UQRQGDSRLWZLPD-ZANVPECISA-N 266.125 -0.455 50 20 CBGD OC[C@H](CNCc1ccc(B(O)O)cc1)[C@H]1CCOC1 585039247 PQJPEXNWWQSFSI-STQMWFEESA-N 279.145 -0.899 50 20 CBGD NC(=O)CNC(=S)NNC(=O)NC1CCCCC1 727064359 DENCBFGREHCFSD-UHFFFAOYSA-N 273.362 -0.517 50 20 CBGD O=C(CCN1CCOCC1)NNC(=O)Cc1ccncc1 747428824 XGKRRHOGSMTBKY-UHFFFAOYSA-N 292.339 -0.506 50 20 CBGD CCCN(CCC)C(=O)CCCC(=O)NNC(=O)CO 753439749 SPZHZEFLHLECOS-UHFFFAOYSA-N 287.360 -0.055 50 20 CBGD COC(=O)c1ccc(CCC(=O)NNC(=O)CO)cc1 753443825 CIIXKJHRKVTCBM-UHFFFAOYSA-N 280.280 -0.455 50 20 CBGD CC(C)C(=O)NNC(=O)c1ccnc2c(C(N)=O)cnn12 757987936 IOTGVCAVDOPGCL-UHFFFAOYSA-N 290.283 -0.755 50 20 CBGD C[C@@H](NC(=S)NNC(=O)C1(NC(N)=O)CC1)C1CC1 767364871 VMOWSBAVNKFADH-ZCFIWIBFSA-N 285.373 -0.519 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCOCC(F)F 768255747 ORVSEYFZHTWMPO-UHFFFAOYSA-N 254.233 -0.424 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@](C)(O)C(C)C)n[nH]1 771439351 BIBBMODKWGMKQJ-NSHDSACASA-N 254.290 -0.114 50 20 CBGD COC(=O)[C@H]1CCCCCN1CC(=O)NNC(=O)C1CC1 781347415 RETJCESBKVWCFP-LLVKDONJSA-N 297.355 -0.039 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](O)C(C)(C)C1 790449834 JRVAXRCBJUDENZ-IUCAKERBSA-N 257.334 -0.365 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](O)Cc1ccccc1 792853259 JRBKWEPSHCIQCP-NSHDSACASA-N 293.323 -0.738 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CN2CCOCC2)n1 794071354 CXYDZSIPAMHCFM-UHFFFAOYSA-N 278.312 -0.517 50 20 CBGD C[C@@H]1COCCC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 794495421 AGYURWSUEPDGEG-RKDXNWHRSA-N 289.357 -0.115 50 20 CBGD C[C@@]1(NCC(=O)NNC(=O)c2cccs2)CCOC1=O 810095568 POMKCXZTBGKFQI-GFCCVEGCSA-N 297.336 -0.196 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cc2n(n1)CCCO2 823928642 PQODORDSDSVYTE-QMMMGPOBSA-N 254.290 -0.377 50 20 CBGD CC(C)C[C@@H](C(N)=O)C(=O)NNC(=O)[C@H]1CCCCO1 839781594 UVINKFOPMFWBOM-VHSXEESVSA-N 285.344 -0.150 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c[nH]1 843970099 BIJOIAOEXIKFDH-CBAPKCEASA-N 295.295 -0.013 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCS1(=O)=O)c1ccccn1 847280819 IWJOHASCFPAMTQ-VIFPVBQESA-N 283.309 -0.580 50 20 CBGD CNC(=S)N(C)NC(=O)Cc1nnn(C(C)(C)C)n1 854928816 OKQCRNIAZMEDKE-UHFFFAOYSA-N 285.377 -0.562 50 20 CBGD NCC(=O)NNC(=O)NCCc1ccc(F)cc1 857763264 SGUJMQPSRSJKTB-UHFFFAOYSA-N 254.265 -0.343 50 20 CBGD Cc1ccc(CCNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)o1 858138557 DNEKRNYLDZBOJD-JTQLQIEISA-N 294.311 -0.260 50 20 CBGD C[C@@H]1CN(C2CC2)CC1=NNC(=O)[C@@H]1CCC(=O)N1 863148958 NUMVZFIDSQFYQA-SCZZXKLOSA-N 264.329 -0.149 50 20 CBGD CC(C)n1nccc1C=NNC(=O)CS(C)(=O)=O 863186957 SCYOYBZVJKKWBR-UHFFFAOYSA-N 272.330 -0.041 50 20 CBGD C[C@@H](O)c1cn(CC(=O)NN=c2cc[nH]cc2)nn1 1116518008 TULSIMGQFZWCHU-MRVPVSSYSA-N 262.273 -0.708 50 20 CBGD CC(C)n1cc(S(=O)(=O)NNC(=O)c2cn[nH]c2)cn1 1118954876 VABSXNNQNQQIBZ-UHFFFAOYSA-N 298.328 -0.190 50 20 CBGD O=C(CNC(=O)c1cccs1)NNC(=O)CC1COC1 1119594212 NNOAUKQEJMBQNM-UHFFFAOYSA-N 297.336 -0.338 50 20 CBGD CCN1C[C@@H](CNC(=O)NNC(=O)c2ccc[nH]2)CC1=O 1261510729 JJBDPPPUILSXQF-SECBINFHSA-N 293.327 -0.173 50 20 CBGD COC(=O)N1CCC(C(=O)N2CC[C@H](B(O)O)C2)CC1 1261844303 KIDBXOSNMDTIFD-JTQLQIEISA-N 284.121 -0.460 50 20 CBGD O=C(NCc1cccnc1)NNC(=O)C(=O)N1CCCC1 1318093319 NPCWJHSJVVYMOC-UHFFFAOYSA-N 291.311 -0.466 50 20 CBGD CC(=O)N[C@@H](C(=O)NNc1ccc(C(N)=O)nn1)C(C)C 1319141303 ADMBZLJWIBKLHT-SNVBAGLBSA-N 294.315 -0.821 50 20 CBGD C[C@@H](NC(=O)NNc1ncccn1)c1ncnn1C 1320793173 OZXDGEYVMWSADW-SSDOTTSWSA-N 262.277 -0.008 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1CCc2nncn2C1 1324909366 AHNAGEUZKAVUDH-SECBINFHSA-N 296.331 -0.793 50 20 CBGD CCn1nccc1CNC(=O)NNC(=O)c1cn[nH]c1 1328799928 PMHBMBIOBMITJK-UHFFFAOYSA-N 277.288 -0.230 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)C(=O)Nc2ccsc2)N1 1329123786 SMQNMJKNPZMIGY-SSDOTTSWSA-N 296.308 -0.887 50 20 CBGD N#CC1(CS(=O)(=O)N2CC[C@@H](B(O)O)C2)CC1 1329291746 GPLRTLGVJJTZRC-MRVPVSSYSA-N 258.108 -0.831 50 20 CBGD CCc1nn(C)cc1C(=O)N1CC[C@@H](B(O)O)C1 1330260866 CSPXYRLWJOQRAA-MRVPVSSYSA-N 251.095 -0.329 50 20 CBGD NC(=O)C(=O)NN=C1CCCc2nc(N)sc21 1330305381 PSAIHRWIORKCTB-UHFFFAOYSA-N 253.287 -0.633 50 20 CBGD Cc1cccnc1NNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331530216 DGZXZZOTIZYKJY-QMMMGPOBSA-N 292.299 -0.674 50 20 CBGD COCCn1cc(C(=O)NNC(=O)C2CCOCC2)cn1 1332732493 AOKKIYWBBDCLTL-UHFFFAOYSA-N 296.327 -0.283 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCCS(=O)(=O)C1 1334201763 ICMNYTGNHIGONB-DTWKUNHWSA-N 264.347 -0.845 50 20 CBGD C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)CS(C)(=O)=O 1335365458 AORDTVXDTUVJKU-JGVFFNPUSA-N 290.341 -0.816 50 20 CBGD CO[C@H]1CCC[C@H]1C(=O)NNC(=O)C(=O)N1CCCC1 1335771462 GNZBWUVWBPAWHL-ZJUUUORDSA-N 283.328 -0.429 50 20 CBGD C[C@]1(CNC(=O)C[C@H](O)CN)C[C@@H]1Br 1342286545 WDXRNXRJNZPLBR-ACLDMZEESA-N 265.151 -0.014 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1c(Br)nnn1C 1348956179 TZRRKFFHYFPFNB-YFKPBYRVSA-N 292.137 -0.465 50 20 CBGD CCO/C=C(\C#N)C(=O)NC1(C(N)=O)CCOCC1 1351075360 UORBGBLNFFPZJK-CMDGGOBGSA-N 267.285 -0.419 50 20 CBGD COc1ccccc1NNC(=O)[C@@H]1CN(C)C(=O)CN1 1579309788 NMJLFBWPHDLNOF-JTQLQIEISA-N 278.312 -0.432 50 20 CBGD Cc1ncsc1CCC(=O)NNC(=O)[C@H]1CCN1 1579888555 YEZLUBODRQADRM-MRVPVSSYSA-N 268.342 -0.107 50 20 CBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 1594755568 MRFCZXWWENJFDR-JGVFFNPUSA-N 295.299 -0.901 50 20 CBGD O=C(O)CCCNC(=S)NNC(=O)NCC1CC1 1601994075 YANRGPZBVFXDAG-UHFFFAOYSA-N 274.346 -0.061 50 20 CBGD CC(C)(CCC(=O)O)NC(=O)c1cccc(B(O)O)c1 1602936492 XWOQEMURPPGDPK-UHFFFAOYSA-N 279.101 -0.260 50 20 CBGD O=C(NC[C@@H]1CCOC2(CCC2)C1)NNC(=O)C(=O)O 1608439007 OCOCUJPBVFSLOW-MRVPVSSYSA-N 285.300 -0.249 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H](CC(=O)O)C1CC1 1609881496 LXIRMBHDCZSFNT-CBAPKCEASA-N 271.317 -0.225 50 20 CBGD CCCS(=O)(=O)CC(=O)NNC(=O)NC(C)C 49467474 XTYOKCZRJOMRMA-UHFFFAOYSA-N 265.335 -0.450 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)CN(C)C 170764789 GUKJQSFUBFUHJJ-UHFFFAOYSA-N 265.313 -0.053 50 20 CBGD CCCC(=O)N1CSC[C@H]1C(=O)NNC(C)=O 263872115 MUSWJZBWKDBUSW-QMMMGPOBSA-N 259.331 -0.145 50 20 CBGD C[C@H](N)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 269043602 CHYSPKZYLFUHOA-QMMMGPOBSA-N 298.368 -0.082 50 20 CBGD CN(CC(=O)NNC(=O)c1ccccc1)C1(CO)CC1 285622337 WNOPNPLFOWXZIX-UHFFFAOYSA-N 277.324 -0.096 50 20 CBGD Cc1ccn(CC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c(=O)c1 294403333 XQCQYENYMJYTGZ-QWRGUYRKSA-N 293.323 -0.128 50 20 CBGD C[C@H]1C[C@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1 299542118 VUQWDDIDZYUTCR-IUCAKERBSA-N 268.317 -0.405 50 20 CBGD O=C(NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)NC1CC1 362862962 TVMCWLLHBRUMKY-ZETCQYMHSA-N 292.299 -0.745 50 20 CBGD COC(=O)NNC(=O)c1ccc(CNC(N)=O)cc1 490636261 QPGXNBKBBQNRGR-UHFFFAOYSA-N 266.257 -0.144 50 20 CBGD O=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc(B(O)O)c(F)c1 584963781 YBVHWEICYKEJDG-WCBMZHEXSA-N 279.076 -0.828 50 20 CBGD CN(C)C[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584972018 KUCVBFJTGVOAMA-JTQLQIEISA-N 294.135 -0.471 50 20 CBGD CN1C[C@H](NCc2ccc(B(O)O)cc2F)CCC1=O 585024849 FFAIKSWRGOEZNT-LLVKDONJSA-N 280.108 -0.784 50 20 CBGD OC[C@H](CNCc1cccc(B(O)O)c1)Cc1ccco1 585028979 UNIWPEXBRUEEFC-ZDUSSCGKSA-N 289.140 -0.100 50 20 CBGD Cc1ncc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)s1 728433554 CUYCGEWDJWWAGZ-LURJTMIESA-N 290.370 -0.161 50 20 CBGD CC[C@H](SC)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 746774844 CXPSWHBDPGYJOO-SFYZADRCSA-N 294.398 -0.290 50 20 CBGD CC(C)[C@@H](C(=O)NNC(=O)CO)N1C[C@H](C)O[C@H](C)C1 753444530 NCPIOIVHAXVBMN-UMNHJUIQSA-N 287.360 -0.740 50 20 CBGD O=C(CO)NNC(=O)c1ccc(C(F)(F)F)cn1 753445288 XIFDDBYJRAMPSX-UHFFFAOYSA-N 263.175 -0.146 50 20 CBGD O=C(CO)NNC(=O)Nc1cnn(CC2CC2)c1 756813897 TWGHAPMEHYRECV-UHFFFAOYSA-N 253.262 -0.562 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1[C@H]2CCC[C@H]21 758042861 BKXDIMHLLCSILJ-HXFLIBJXSA-N 289.357 -0.882 50 20 CBGD CCN(CC)c1ccnc(NNC(=O)C2=NNC(=O)C2)n1 762908609 MHNFKLABYKCUEV-UHFFFAOYSA-N 291.315 -0.358 50 20 CBGD COc1ccccc1C(=O)NNC(=O)C(C)(C)C(N)=O 767898434 NFIMDVHVIAPVJF-UHFFFAOYSA-N 279.296 -0.032 50 20 CBGD CCOCC(=O)NNC(=O)NCc1c[nH]nc1C 768236959 HTXLLLVOQBEBHK-UHFFFAOYSA-N 255.278 -0.415 50 20 CBGD N#CCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 771894690 XZGWOADMRHEYJO-UHFFFAOYSA-N 271.240 -0.663 50 20 CBGD COCC1(C(=O)NNc2ccc(C(N)=O)nn2)CC1 779226035 SZVRPHWXVYGMPR-UHFFFAOYSA-N 265.273 -0.555 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1cn2c(n1)CCCC2 779832673 PMUILFLWNDPIGG-UHFFFAOYSA-N 287.345 -0.268 50 20 CBGD CC(=O)[C@@H]1C[C@H](C(=O)NNC(=O)C(=O)NC2CC2)C1(C)C 780227764 SKXQZQGWAYSGRI-VHSXEESVSA-N 295.339 -0.336 50 20 CBGD COc1cncc(S(=O)(=O)NNC(=O)N(C)C)c1 799122439 LJPIWVZUIUITFZ-UHFFFAOYSA-N 274.302 -0.445 50 20 CBGD COCCO[C@@H](C)C(=O)NN=C1COCCOC1 814864977 LXPBTAMIQKVPOY-VIFPVBQESA-N 260.290 -0.443 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](n2ccnn2)C1 823469565 XYAOWESWLSWZMF-WDEREUQCSA-N 294.359 -0.139 50 20 CBGD CN1C(=O)CC[C@H](NC(=O)NNc2ccc(F)cn2)C1=O 823905818 MVKKVRXOLGXLTE-QMMMGPOBSA-N 295.274 -0.006 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccnc2c1ncn2C 823921894 DVXJJVOKYMGNJQ-QMMMGPOBSA-N 263.301 -0.074 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1COCCN1C1CCCC1 823935332 PQJPMDCHVGLCAB-DGCLKSJQSA-N 285.388 -0.026 50 20 CBGD C[C@H](C#N)CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 826880277 SGLPPNCVMWOQLD-HLTSFMKQSA-N 254.290 -0.099 50 20 CBGD O=C(NNS(=O)(=O)N1CCCC1)[C@H]1CCCCO1 830033876 HQPBTGWGZMWEAU-SECBINFHSA-N 277.346 -0.483 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cnnn1C 831773896 BXMIYVPHBKEXAO-RQJHMYQMSA-N 268.277 -0.607 50 20 CBGD C[C@@H]1C[C@H](CN)CN1CC(=O)NNC(=O)C1CC1 843363069 YGFLENDQBVPJAH-RKDXNWHRSA-N 254.334 -0.787 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](O)c1cnn(C)c1 843971703 RIIUHMNXKDAJHH-UJNFCWOMSA-N 282.300 -0.974 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H]1CCC[C@@H]1C(=O)OC 852756122 USAZOOCPMPLVKU-LPEHRKFASA-N 285.344 -0.136 50 20 CBGD Cn1nc(C(F)(F)F)cc1C=NNC(=O)CO 853329451 KIAIBJICDKOLDN-UHFFFAOYSA-N 250.180 -0.119 50 20 CBGD O=C(NNC(=O)C1(n2cnnn2)CC1)NC1CCCCC1 854191762 AKASFXKSFUXGLO-UHFFFAOYSA-N 293.331 -0.175 50 20 CBGD COCC(=O)N(C)CC(=O)NCCCSC#N 854361986 VIBZWRMHXMYWBH-UHFFFAOYSA-N 259.331 -0.188 50 20 CBGD Cc1ccc(CC(=O)NNC(=O)C(=O)NC(C)C)cc1O 857432959 OKKJNZQMYMXVGO-UHFFFAOYSA-N 293.323 -0.085 50 20 CBGD C[C@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C[C@@H](C)O1 858692731 ZJIYDPGIUBVROO-YIZRAAEISA-N 284.316 -0.885 50 20 CBGD C[C@H]1COCCN1C(=O)NNC(=O)c1cn[nH]c1 858704034 LCTZHORKLIAOCL-ZETCQYMHSA-N 253.262 -0.515 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc(Cl)o2)N1 862450475 UTANALVPDXDOGI-RXMQYKEDSA-N 271.660 -0.027 50 20 CBGD COCCN1C[C@@H](C(=O)NN=c2cc[nH]c(C)c2)CC1=O 862509960 YKWNMDFOOGIPFW-NSHDSACASA-N 292.339 -0.250 50 20 CBGD CCO/C=C(/C#N)C(=O)NN1CCS(=O)(=O)CC1 862733524 DUYQDMRGVGOUMJ-HJWRWDBZSA-N 273.314 -0.808 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=S)NC(C2CC2)C2CC2)N1 863203121 BATQKBYFZXYXMB-SECBINFHSA-N 296.396 -0.051 50 20 CBGD COC(=O)[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(C)C 863869437 NJROYYVYLUHWLT-LLVKDONJSA-N 297.091 -0.567 50 20 CBGD C[C@H](C(=O)NNC(=O)CO)n1ccc(C(F)(F)F)n1 879395323 HBZMJZPPGCANJG-RXMQYKEDSA-N 280.206 -0.397 50 20 CBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)CC(F)(F)F)C(=O)O1 896335471 VRFDBNOVFIVMHX-UHNVWZDZSA-N 283.206 -0.027 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CNC(=O)c1cccs1 910183924 UWVKNNFHVJQBRW-MRVPVSSYSA-N 271.342 -0.178 50 20 CBGD C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)CN1CCCC1=O 913731040 RKNSITACFLDYRX-GHMZBOCLSA-N 296.371 -0.371 50 20 CBGD CC(C)(C(=O)NNc1ncccn1)S(C)(=O)=O 1116056231 XPWSJKWLCJZMOE-UHFFFAOYSA-N 258.303 -0.257 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCC[C@@H](N(C)C)C1 1116204580 KOWYMMBZDIHYFT-DTWKUNHWSA-N 286.332 -0.637 50 20 CBGD Cn1nncc1C=NNC(=O)CNC(=O)c1ccco1 1116219311 AFOYHONTGPBLGK-UHFFFAOYSA-N 276.256 -0.712 50 20 CBGD C[C@@H]1C[C@@H](CNC(=O)NNC(=O)C(=O)NC2CC2)CCO1 1116457075 GZBSWPYYBRWQBU-BDAKNGLRSA-N 298.343 -0.590 50 20 CBGD O=C(NNc1nc[nH]n1)[C@H]1CCCCS1(=O)=O 1261245463 CTHZEDISKQQFQY-ZCFIWIBFSA-N 259.291 -0.785 50 20 CBGD O=C(NNC(=O)N1C[C@@H]2[C@@H](C1)C2(F)F)c1cn[nH]c1 1261792250 QYEUSGFYBYXSHG-RNFRBKRXSA-N 271.227 -0.039 50 20 CBGD C[C@H](NC(=O)c1ccoc1)C(=O)N1CC[C@@H](B(O)O)C1 1261844705 YAKJUHYUTZRXHN-WCBMZHEXSA-N 280.089 -0.527 50 20 CBGD Cc1nn(CCO)c(C)c1C=NNC(=O)C(=O)NC1CC1 1317974779 IDOGHCDJFROJIM-UHFFFAOYSA-N 293.327 -0.779 50 20 CBGD C[C@H](C(=O)NNc1ccc(C(N)=O)nn1)n1ccnc1 1319072334 SPWQXIDOQUFEJF-SSDOTTSWSA-N 275.272 -0.524 50 20 CBGD CCNC(=O)NNC(=O)COCc1ncc(C)o1 1323531630 ADGRIOLJJOTYQM-UHFFFAOYSA-N 256.262 -0.150 50 20 CBGD NC(=O)c1c[nH]c(C(=O)NNC(=O)NCC2CC2)c1 1323547222 QGRNBRVEVHQKJI-UHFFFAOYSA-N 265.273 -0.532 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)C2CCNCC2)CO1 1326063112 XTKLZTWOHDYDOA-PSASIEDQSA-N 270.333 -0.506 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C 1330487230 CQLNFCCHMOWRLW-BWZBUEFSSA-N 285.300 -0.697 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccc(=O)n(CCOC)c1 1347796645 MGKOVIXTDJRVPC-UHFFFAOYSA-N 298.368 -0.424 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1C[C@@]12CCNC2 1574334653 SQRKVVDPHYSCII-GXFFZTMASA-N 275.312 -0.344 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccoc1CC(=O)O 1593457418 ULIYDKUUCHEYIX-SSDOTTSWSA-N 256.258 -0.136 50 20 CBGD CN(NC(=O)c1ccc(OCC(=O)O)cc1)C(N)=O 1593766104 FVCYQZXORMSRHL-UHFFFAOYSA-N 267.241 -0.195 50 20 CBGD COCCOCC(=O)NNC(=O)CCCCC(=O)O 1594018858 YHTJIQWDOCCENN-UHFFFAOYSA-N 276.289 -0.558 50 20 CBGD COC(=O)C(=O)NN=C1CCN(CCC(=O)O)CC1 1598684948 RFPQSSGKTBYNNJ-UHFFFAOYSA-N 271.273 -0.798 50 20 CBGD O=C(Cc1nc[nH]n1)NNc1ccc(C(=O)O)cn1 1601375988 HZNLXOTVALXCBM-UHFFFAOYSA-N 262.229 -0.416 50 20 CBGD O=C(NNC(=O)c1ncccn1)N[C@@H]1CC=C(C(=O)O)C1 1601557510 MWEAEAQCVXJABO-MRVPVSSYSA-N 291.267 -0.406 50 20 CBGD O=C(O)C1=NO[C@]2(CCN(S(=O)(=O)CCl)C2)C1 1601743276 HSDRLOYBEICHAE-MRVPVSSYSA-N 282.705 -0.182 50 20 CBGD O=C(O)CN1CCC(NCc2ccc(B(O)O)cc2)CC1 1606243455 BOAWOFXOBIWUMB-UHFFFAOYSA-N 292.144 -0.995 50 20 CBGD O=C(CN1CSCC1=O)NNC(=O)c1ccc[nH]1 263826247 WNUMQPSPQBTPMC-UHFFFAOYSA-N 268.298 -0.691 50 20 CBGD COc1nccnc1NNC(=O)CN1CCCCC1=O 274127794 USJNPSUYWFVLPN-UHFFFAOYSA-N 279.300 -0.059 50 20 CBGD Cc1nnc2ccc(C(=O)NNC(=O)C(C)(C)O)cn12 276330626 YDJNZCWMABSWJH-UHFFFAOYSA-N 277.284 -0.430 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cn(C)cn1 278552880 GSTPAXJKDLGXRT-UHFFFAOYSA-N 284.316 -0.030 50 20 CBGD NC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)Nc2ccccc2)O1 282880227 VHGGTBNPDOCINA-NXEZZACHSA-N 292.295 -0.128 50 20 CBGD CC(C)(NS(C)(=O)=O)C(=O)NNc1ncccc1F 286090235 USMMJXYZRNCVEU-UHFFFAOYSA-N 290.320 -0.008 50 20 CBGD CN1CCN(C(=O)NNC(=O)C[C@H]2CCCC(=O)N2)CC1 367697228 CBDQEOMSZPNHGM-SNVBAGLBSA-N 297.359 -0.967 50 20 CBGD CCN1CCN(CCC(=O)NN(C)C(=O)OC)CC1 495824010 GKZUOOUVVUONLY-UHFFFAOYSA-N 272.349 -0.257 50 20 CBGD CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C=NNC(=O)C(N)=O)C1 497223850 ZADBJUBEWQARQY-SDBXPKJASA-N 296.327 -0.169 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1C[C@]12CCOC2 584911933 ATMPATGVTBETJK-YPMHNXCESA-N 261.086 -0.269 50 20 CBGD N#C[C@]1(F)CCN(C(=O)c2ccc(B(O)O)cc2)C1 584979178 MQTQHFVQMJXSJL-GFCCVEGCSA-N 262.049 -0.556 50 20 CBGD O=C(NC[C@@H](CO)C1CC1)c1ccc(B(O)O)cc1 584990652 HEWPVXJNJLBFHG-NSHDSACASA-N 263.102 -0.885 50 20 CBGD CN1[C@H]2CC[C@H]1CC(NC(=O)c1ccc(B(O)O)cc1)C2 584996578 MARHVTCQRFSWAI-KBPBESRZSA-N 288.156 -0.279 50 20 CBGD Cc1cc(CCNCc2ccccc2B(O)O)on1 585041479 YDAVQCAGUCOYMQ-UHFFFAOYSA-N 260.102 -0.005 50 20 CBGD Cc1ccc(S(=O)(=O)NCB(O)O)c2cccnc12 585054108 IEDCPPMNPIYPRH-UHFFFAOYSA-N 280.114 -0.166 50 20 CBGD CCc1cccc2c1NC(=O)C2=NNC(=O)C(N)=O 733078561 ZOCPUQNRMSUCNI-UHFFFAOYSA-N 260.253 -0.493 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCO[C@@H]1C 747751515 MSAAJEMFKAAARM-RNFRBKRXSA-N 263.319 -0.795 50 20 CBGD Cc1ccc(NNC(=O)NC[C@@H](C)S(C)(=O)=O)nn1 754127561 BBBVHXZFCNLQFM-MRVPVSSYSA-N 287.345 -0.156 50 20 CBGD Cn1cc(C(=O)NNC(=O)NC2COC(C)(C)OC2)cn1 758736521 QUSRRLYMCMSSDB-UHFFFAOYSA-N 297.315 -0.484 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1ccc(C(N)=O)c(F)c1 763265030 CIIVJXARAUBHOA-UHFFFAOYSA-N 297.290 -0.361 50 20 CBGD CC(C)(C(N)=O)C(=O)NNC(=O)c1cccc(C#N)c1 767873497 HVNHOWRQSVSCSK-UHFFFAOYSA-N 274.280 -0.169 50 20 CBGD CC(C)NC(=O)NN=Cc1cn(CC(=O)O)nn1 768483307 OEZMEECPUGGNJF-UHFFFAOYSA-N 254.250 -0.596 50 20 CBGD O=C(NCC1CC1)C(=O)NNC(=O)C1CCCC1 788496062 JUVQSDFZFWDBTH-UHFFFAOYSA-N 253.302 -0.150 50 20 CBGD O=C(Cc1ccccn1)NNC(=O)c1cc([N+](=O)[O-])n[nH]1 796155991 IFNHSYRBDPIKKZ-UHFFFAOYSA-N 290.239 -0.283 50 20 CBGD CC(C)(C(=O)NNC(=O)NCC1CC1)N1CCOCC1 801140133 BQEWNUUYVCIRMC-UHFFFAOYSA-N 284.360 -0.162 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCCN2C2CC2)CC1 807380596 YJNQESVDYLRCGO-GFCCVEGCSA-N 295.387 -0.399 50 20 CBGD COC(=O)CNC(=O)NN=Cc1c(C)nn(C)c1N 814900800 IUMKDHIZJWURIG-UHFFFAOYSA-N 268.277 -0.883 50 20 CBGD O=C(CNC(=O)c1cccc(O)c1)NNc1nc[nH]n1 816633368 ZZURXEWZBSYRCE-UHFFFAOYSA-N 276.256 -0.617 50 20 CBGD CCCCS(=O)(=O)CC(=O)NN(CC)CCO 823376830 KZPSLHCIUJOWOS-UHFFFAOYSA-N 266.363 -0.453 50 20 CBGD CCN(CCO)NC(=O)[C@H]1COc2ccc(O)cc2O1 823893405 IJOMQVZDZYOORK-GFCCVEGCSA-N 282.296 -0.123 50 20 CBGD C[C@H](Oc1ccccn1)C(=O)NNC(=O)CN(C)C 825703352 RCSYAUVWLNGKQW-VIFPVBQESA-N 266.301 -0.442 50 20 CBGD O=C(CCn1ccnn1)NNc1cccc(-c2nn[nH]n2)c1 826410037 ZCNCWOYRFCOHRY-UHFFFAOYSA-N 299.298 -0.008 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)C[C@H]2CCC(=O)N2)n1 831988486 NTWKKVSNCGFPDI-RXMQYKEDSA-N 284.707 -0.176 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)COCc1ccnn1C 843653708 FNQCIOMNFWTGFS-MWLCHTKSSA-N 296.327 -0.491 50 20 CBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)NC1CCCC1 847400912 ATJKJBYNIUNRDE-BDAKNGLRSA-N 268.317 -0.229 50 20 CBGD CCn1nc(C(=O)NN(C)CCOC)ccc1=O 848377199 BODHHJNHJYVXNH-UHFFFAOYSA-N 254.290 -0.514 50 20 CBGD COCCCNC(=S)N(C)NC(=O)c1cn(C)cn1 854282762 TYIDEKHHEVVQNS-UHFFFAOYSA-N 285.373 -0.092 50 20 CBGD CCC1(Cn2cc(C(=O)NN(C)CCOC)nn2)COC1 854410497 YPPLBNURVDVFJS-UHFFFAOYSA-N 297.359 -0.072 50 20 CBGD CNC(=S)N(C)NC(=O)c1cc(C(=O)OC)no1 854922880 UIFCFISBGQWZAT-UHFFFAOYSA-N 272.286 -0.458 50 20 CBGD COc1ccnc(NNC(=O)[C@]2(O)CCOC2)n1 857436838 JZGOJLGPGHNYKB-JTQLQIEISA-N 254.246 -0.920 50 20 CBGD CCOC(=O)C1(CNC(=O)NNC(=O)c2cn[nH]c2)CC1 858366994 HBDCNMPQDLSNME-UHFFFAOYSA-N 295.299 -0.303 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@@H]2CC=CCC2)N1 858697301 OWJAPZOUWLFTNC-ZJUUUORDSA-N 280.328 -0.048 50 20 CBGD CC1=CCCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858699989 BUWCERVPCAWEII-SECBINFHSA-N 266.301 -0.342 50 20 CBGD CS[C@@H](C)CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862457441 JPLFDMXNWOATQB-NKWVEPMBSA-N 259.331 -0.446 50 20 CBGD C[C@H](NC(=O)C1CCCC1)C(=O)NNC(=O)c1cn[nH]c1 862474112 FZPGYQUALVQRCN-QMMMGPOBSA-N 293.327 -0.134 50 20 CBGD COC(=O)[C@H]1C[C@H]2CC(=NNC(=O)[C@H]3CCC(=O)N3)[C@H]1C2 863151044 GJTIQUXHIUDQKU-AATLWQCWSA-N 293.323 -0.044 50 20 CBGD CN(C[C@@H](O)C1CC1)C(=O)c1cccc(B(O)O)c1 863876561 FTLRNAQKIGOZGJ-GFCCVEGCSA-N 263.102 -0.791 50 20 CBGD CC(C)OC(=O)[C@H](C)NC(=O)c1cccc(B(O)O)c1 863884671 BXLPVMQJTJKWGW-VIFPVBQESA-N 279.101 -0.564 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)C2CCOCC2)CC1 894102802 AKACRQXIJLGICE-UHFFFAOYSA-N 284.312 -0.096 50 20 CBGD C[C@H](O)CN(C)NC(=O)C(=O)N1CCC[C@@H](C)C1 910161087 RRGPKRVRLSEUMA-ZJUUUORDSA-N 257.334 -0.411 50 20 CBGD O=C1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H](C2CC2)C1 912185657 OVBJVEUWTQWUGQ-CQSZACIVSA-N 287.124 -0.050 50 20 CBGD CSC[C@@H](C)C(=O)NNC(=O)CN1CCCC1=O 913730947 OJVSJNOLUFWSQV-MRVPVSSYSA-N 273.358 -0.245 50 20 CBGD COCCCNC(=O)NNC(=O)CCn1ccccc1=O 920862363 ZYGKGIGQOJJZQJ-UHFFFAOYSA-N 296.327 -0.395 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@H]2[C@H](N(C)C)[C@H]2C1 931278147 YXMAPDWBHGTANL-IAZYJMLFSA-N 268.361 -0.718 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cnc(C(C)C)[nH]1 1116173174 MBEQETVQSOKIMP-UHFFFAOYSA-N 281.316 -0.181 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@H]1CCC(F)(F)C1 1116290043 KOVVFXUQNKKKIS-ZETCQYMHSA-N 290.270 -0.217 50 20 CBGD CN(NC(=O)c1ccc(CS(C)(=O)=O)cc1)C(N)=O 1116451338 ZYCWWJQFYDVKMX-UHFFFAOYSA-N 285.325 -0.114 50 20 CBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cccc(C)c1 1116729947 RERLXWJEQPXVAH-UHFFFAOYSA-N 279.252 -0.746 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H]1CCN2CCC[C@@H]2C1 1118864943 VCWXIYLQPSHQNT-WDEREUQCSA-N 292.343 -0.020 50 20 CBGD COCCOCC(=O)NNC(=O)C1CCOCC1 1119044436 FWCWSCSTVRWBTR-UHFFFAOYSA-N 260.290 -0.777 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1ccnc(O)c1 1261833193 PNAKPULNIFRHMF-UHFFFAOYSA-N 271.298 -0.328 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CCC[C@H]1OC 1262635563 SUZAJKOHUHABFU-NXEZZACHSA-N 274.317 -0.388 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1318037155 LHYFYPHWUOETKJ-UHFFFAOYSA-N 298.324 -0.354 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=S)NCC1CCC1 1318190915 IBUNHUSDAHTFSZ-UHFFFAOYSA-N 272.374 -0.194 50 20 CBGD O=C(CCl)N1CCN(C(=O)CN2CCCC2)CC1 1319921611 JXXYUBFDKNLCFJ-UHFFFAOYSA-N 273.764 -0.008 50 20 CBGD CNC(=O)c1ccc(NC(=O)NNC(=O)CCO)c(C)c1 1320275981 OJZAKDABJLUQMK-UHFFFAOYSA-N 294.311 -0.110 50 20 CBGD O=C(NCc1ccco1)NNC(=O)C(=O)NCC1CC1 1320671384 UCZJJJGKIWOLER-UHFFFAOYSA-N 280.284 -0.364 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@@H](CO)COC(C)=O 1321088467 NXINAGKODYFLRV-MBACFSSFSA-N 256.258 -0.529 50 20 CBGD COC(=O)N(C)NC(=O)c1cn(C2CCOCC2)nn1 1323936305 HEFVYKWHYHHOKS-UHFFFAOYSA-N 283.288 -0.027 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCNC(=O)C1 1324108267 ZAPOBTHOZYIUDJ-YUMQZZPRSA-N 285.300 -0.998 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCCCS(N)(=O)=O 1325062381 AOXBLXFPZINQTC-CMDGGOBGSA-N 275.330 -0.385 50 20 CBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)c2ncccn2)CO1 1328161843 WBTQBFYNDOMKMJ-SFYZADRCSA-N 265.273 -0.402 50 20 CBGD CS(=O)(=O)c1ccccc1NNC(=O)c1cnn[nH]1 1340602285 QYGNYXBKMPXXIW-UHFFFAOYSA-N 281.297 -0.035 50 20 CBGD CCNC(=O)N(C)NC(=O)Cn1cc([C@@H](C)O)nn1 1342693142 IFWVMNICJJHBQK-SSDOTTSWSA-N 270.293 -0.976 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCN[C@H]([C@@H]2CCCO2)C1 1575378111 JGKMUYOQLFOUHU-VWYCJHECSA-N 299.371 -0.548 50 20 CBGD C[C@]1(C(=O)NNC(=O)Cc2ccccc2O)C[C@@H](O)CN1 1576350440 OOYHVNNFMHFQGW-QMTHXVAHSA-N 293.323 -0.805 50 20 CBGD CCCNC(=O)NNC(=O)[C@]1(COC)CCCCN1 1577545077 KANWBYFFWJQZOH-GFCCVEGCSA-N 272.349 -0.115 50 20 CBGD N#Cc1ccc(NNC(=O)CC2(O)CCNCC2)nc1 1580069822 IHPIFEHPMKCNNP-UHFFFAOYSA-N 275.312 -0.099 50 20 CBGD C[C@@]1(C(=O)O)CCN(C(=O)c2cccc(B(O)O)c2)C1 1589196632 FBSAKWKVUSXPMO-CYBMUJFWSA-N 277.085 -0.697 50 20 CBGD O=C(NNC(=O)c1coc(-c2nn[nH]n2)c1)c1cccnc1 1593159327 ILVFAADRBRWTPZ-UHFFFAOYSA-N 299.250 -0.071 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNC(=O)NC1CCCCC1 1593909458 XNPSZCDRBICLAV-QMMMGPOBSA-N 273.289 -0.251 50 20 CBGD Cn1cc(NC(=O)NNC(=O)CCO)cc1C(=O)O 1600965720 LAKPUYYOSDCXJE-UHFFFAOYSA-N 270.245 -0.742 50 20 CBGD O=C(CS(=O)(=O)C1CC1)NNc1ccc(C(=O)O)cn1 1601345779 BFXYZIXUZDQGFQ-UHFFFAOYSA-N 299.308 -0.200 50 20 CBGD O=C(O)CNC(=O)NN=Cc1cnc2n1CCC2 1602072093 OGEZVQMTVZCLCC-UHFFFAOYSA-N 251.246 -0.453 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CCC[C@H](C(=O)O)C2)N1 1602637720 FADROUVSADEQDO-HRDYMLBCSA-N 297.311 -0.697 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccc(-c2nn[nH]n2)nc1 1603566846 WPQBQRDDEUPWTP-ZETCQYMHSA-N 277.288 -0.781 50 20 CBGD CN1N=C(C(=O)NNC(=O)NC2CCCC2)CCC1=O 49430989 QSOMRSBYSJEZDA-UHFFFAOYSA-N 281.316 -0.132 50 20 CBGD C#CCNC(=O)NNC(=O)c1cccc(OC)c1O 65475882 QUGFKGCXYBOITF-UHFFFAOYSA-N 263.253 -0.022 50 20 CBGD Cc1nnc2ccc(C(=O)NNC(=O)CN(C)C)cn12 265112159 ZUSCLRKVWPXHFD-UHFFFAOYSA-N 276.300 -0.640 50 20 CBGD O=C(NNC(=O)[C@]1(O)CCSC1)c1ccccn1 270800943 NLWPKMSMAAAYKC-NSHDSACASA-N 267.310 -0.289 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNc1cc(Cl)nc(N)n1 273449480 HEMNTEVPQGPLCN-BYPYZUCNSA-N 288.695 -0.100 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H](NC(N)=O)C(C)(C)C 286231947 GBXRYHPACIKJOU-ZCFIWIBFSA-N 260.294 -0.201 50 20 CBGD COCCN(C)NC(=O)[C@](C)(O)Cn1c(C)cccc1=O 297114726 ONACCSCFXLIADQ-CQSZACIVSA-N 297.355 -0.483 50 20 CBGD CCS(=O)(=O)NCCNS(=O)(=O)CCl 390323838 GHVGGPUCRMCAOU-UHFFFAOYSA-N 264.756 -0.959 50 20 CBGD CC(C)CN(CC(N)=O)C(=O)c1ccc(B(O)O)c(F)c1 584927027 AYLAKCMJSOKWFN-UHFFFAOYSA-N 296.107 -0.911 50 20 CBGD N#CC1(F)CCN(C(=O)c2cccc(B(O)O)c2)CC1 584988908 VFDKCNUDKLYSEP-UHFFFAOYSA-N 276.076 -0.166 50 20 CBGD C[C@@H](N(C)C(=O)c1ccc(B(O)O)cc1)C(C)(C)O 584997896 MWJJOFMBDPVKOF-SECBINFHSA-N 265.118 -0.402 50 20 CBGD CCN1C[C@H](C)N(C(=O)c2ccc(B(O)O)cc2)[C@@H](C)C1 584998000 NKOYZFXYFGEPJV-RYUDHWBXSA-N 290.172 -0.079 50 20 CBGD C[C@@H]1[C@H](CO)CCCN1C(=O)c1ccc(B(O)O)c(F)c1 585000966 RXBXFPVVQNZONO-KOLCDFICSA-N 295.119 -0.262 50 20 CBGD CCC(=O)N1CCN(C(=O)c2cccc(B(O)O)c2)C1 585001057 QACWXNBXHVHNDM-UHFFFAOYSA-N 276.101 -0.982 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)CC[C@@H]1O 585006927 RQPSEGQVOALHEW-DVYJOKAKSA-N 295.119 -0.215 50 20 CBGD CC[C@@H]1COC[C@@H]1NC(=O)c1cccc(B(O)O)c1 585008502 WCKIKGZAEUKYBJ-SKDRFNHKSA-N 263.102 -0.479 50 20 CBGD CN(C)c1noc(CNCc2ccccc2B(O)O)n1 585036525 MIOHJHXVMKNECL-UHFFFAOYSA-N 276.105 -0.895 50 20 CBGD OC[C@H](CNCc1ccccc1B(O)O)[C@@H]1CCOC1 585039039 MSXNALWYCDSUCH-OLZOCXBDSA-N 279.145 -0.899 50 20 CBGD OC[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NCc1ccc(B(O)O)cc1 585040289 ICXQVFDDHVEAMW-JURCDPSOSA-N 275.157 -0.137 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCc3nc[nH]c3C2)c(F)c1 585041433 PCVJIUFJQKKGMP-LLVKDONJSA-N 289.119 -0.124 50 20 CBGD O=C1C[C@@H](NCc2ccccc2B(O)O)[C@@H]2CCCCN12 585041469 DDMXOTLDODESRH-KGLIPLIRSA-N 288.156 -0.391 50 20 CBGD CCN1C[C@@H](NCc2ccccc2B(O)O)CC1=O 585043677 QHQFCGXWGUSECU-NSHDSACASA-N 262.118 -0.923 50 20 CBGD Cc1nc2ccccc2n1CCC(=O)NCB(O)O 585072428 AORMCGMMTFUDCI-UHFFFAOYSA-N 261.090 -0.137 50 20 CBGD CC(C)CC(=O)NNC(=O)NC[C@@H]1CN(C)CCN1C 732253096 DCCKWKBYQCKEEC-LLVKDONJSA-N 285.392 -0.391 50 20 CBGD O=C(NCCCN1CCOCC1)NNC(=O)C1CCC1 732440317 IAXXWXRPULPYPK-UHFFFAOYSA-N 284.360 -0.161 50 20 CBGD Cc1nccc(C(=O)NNC(=O)N2CCOCC2)n1 745986105 KEPUIBIPULIITJ-UHFFFAOYSA-N 265.273 -0.528 50 20 CBGD CCOCCNC(=O)NNC(=O)[C@H](C)OCCOC 748614677 RJVWBDRSFXBMBO-VIFPVBQESA-N 277.321 -0.595 50 20 CBGD COc1cccc(C(=O)NNC(=O)N2CCOCC2)n1 752518891 KUCYXRMBQOVOAW-UHFFFAOYSA-N 280.284 -0.223 50 20 CBGD Cc1c[nH]cc(C(=O)NNC(=O)Cc2cc[nH]n2)c1=O 755285303 NJBULYITLXYMOT-UHFFFAOYSA-N 275.268 -0.590 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)Nc1cccnn1 757662311 YGCUWOSDKHWLAJ-UHFFFAOYSA-N 261.245 -0.405 50 20 CBGD CN(C)c1ccnc(C(=O)NNC(=O)Cc2cc[nH]n2)c1 758073461 KWRHQBCFRFBYJD-UHFFFAOYSA-N 288.311 -0.126 50 20 CBGD CC1CCN(C(=O)C(=O)NNC(=O)N2CCOCC2)CC1 767778573 BBNURLXRPIDTOW-UHFFFAOYSA-N 298.343 -0.682 50 20 CBGD CCC(C)(CC)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 768707078 RWVJAIGGYOWPEW-MRVPVSSYSA-N 293.389 -0.102 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 770664178 WFMASERNNVCDEU-DCAQKATOSA-N 290.385 -0.096 50 20 CBGD COC(=O)Cn1cc(C(C)=NNC(=O)C(C)(C)O)nn1 785461782 XBKUTPPKQDAXNN-UHFFFAOYSA-N 283.288 -0.938 50 20 CBGD N#CCCNC(=O)NNC(=O)CNC(=O)c1cccs1 787354734 UENDRCNHKJWMFW-UHFFFAOYSA-N 295.324 -0.278 50 20 CBGD Cc1cccnc1NNC(=O)c1cn(C)c(=O)n(C)c1=O 791215817 CTEYJCYMQMFSJQ-UHFFFAOYSA-N 289.295 -0.456 50 20 CBGD Cn1cnn(CC(=O)NNC(=O)Nc2ccccc2)c1=O 801991024 IHARPKPZYHZAQA-UHFFFAOYSA-N 290.283 -0.565 50 20 CBGD C[C@@H](CC(=O)NNC(=O)C(=O)N1CCCC1)n1cccn1 819200294 NEDDPYBFNQZKQO-JTQLQIEISA-N 293.327 -0.396 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C=C1\SCC(=O)N1C 824016988 XJKXUBTUOGPZLK-XTLAGSPJSA-N 299.352 -0.395 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCOC1 826999266 UBRCZACSELDCSA-YIZRAAEISA-N 257.290 -0.469 50 20 CBGD CC[C@@H](CO)NC(=O)NNC(=O)[C@H]1CCO[C@H]1C 827272643 BGXBCTWVCVCJSM-CIUDSAMLSA-N 259.306 -0.487 50 20 CBGD CCN1CCN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1=O 827283275 OXTYHAFDOPQVLT-NXEZZACHSA-N 298.343 -0.684 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCC(=O)C1 830897610 SSEMQBOGMXTJLR-JGVFFNPUSA-N 270.285 -0.155 50 20 CBGD C=C[C@](C)(O)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 831795185 ZCEUYGMQSQVZPR-LBPRGKRZSA-N 287.316 -0.405 50 20 CBGD COC(=O)c1cccc(NNC(=O)[C@H]2CC(=O)N2)c1 831894423 OKVGXSRNEOJIHU-SECBINFHSA-N 263.253 -0.195 50 20 CBGD CCON1CCC(CC(=O)NNC(=O)C(C)(C)O)CC1 832749456 JEIXFXAHHWJUQC-UHFFFAOYSA-N 287.360 -0.042 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CCCCO1 839780972 GVPREQBBGPTGOX-BWZBUEFSSA-N 257.246 -0.632 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H](C)n1cncn1 843645024 QDJJKIPZGVRWTB-HRDYMLBCSA-N 267.289 -0.589 50 20 CBGD Cc1c[nH]nc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843971466 QPBHSSMHUWCZDU-HTQZYQBOSA-N 252.274 -0.096 50 20 CBGD O=C(NNC(=O)C1(n2cnnn2)CCCCC1)C1CC1 845076452 LOQBGYYPPYNAPT-UHFFFAOYSA-N 278.316 -0.110 50 20 CBGD C[C@@H](NC(=S)NNC(=O)C[C@@H]1CCC(=O)N1)C1CC1 855101322 UWRNFESRMUCUCW-APPZFPTMSA-N 284.385 -0.051 50 20 CBGD N#CCc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862451250 KZVRVWDQQPGHHL-LLVKDONJSA-N 286.291 -0.208 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(F)nc2)N1 862454071 CCJYFOQHMFNEJQ-ZETCQYMHSA-N 266.232 -0.740 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)N1CCCCCC1 862454293 FAHYCSMSUUXMHZ-MNOVXSKESA-N 296.371 -0.323 50 20 CBGD O=C(CCCNC(=O)C1CC1)NNC(=O)c1cn[nH]c1 862474983 UZHDXGSTKQFZAX-UHFFFAOYSA-N 279.300 -0.523 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)COC1CCCC1 863460218 ORIXVEMCOVQYKP-UHFFFAOYSA-N 278.330 -0.862 50 20 CBGD C#CCCCC(=O)NNC(=O)CNC(=O)OCC 887141650 CHDSPHVGTVELRT-UHFFFAOYSA-N 255.274 -0.317 50 20 CBGD C[C@H](O)CN(C)NC(=O)CNC(=O)COc1ccccc1 910181652 BMPDLGMHVMGLHB-NSHDSACASA-N 295.339 -0.475 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(C(=O)OC)cn1 920858570 ICHMSMZOHATMSP-UHFFFAOYSA-N 266.257 -0.168 50 20 CBGD COC(=O)c1ccc(NNC(=O)c2cn(C)nn2)nc1 1117669063 DDSGQJTYSOHTRF-UHFFFAOYSA-N 276.256 -0.246 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)N2CCC(O)(CO)CC2)cn1 1118731791 QJGJIPYFGTZZBD-SDQBBNPISA-N 290.323 -0.327 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NNC(=O)c1cccnn1 1119665037 LOQXSSFADXULKW-SNVBAGLBSA-N 293.327 -0.794 50 20 CBGD Cc1cc(C)c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)[nH]1 1252951962 ZIDXSWBQOZHMAB-VIFPVBQESA-N 299.352 -0.173 50 20 CBGD C[C@H]1C[C@H](C(=O)NNC(=O)C(=O)Nc2ccccn2)CO1 1255491893 XMTHOOUJBHACOD-IUCAKERBSA-N 292.295 -0.408 50 20 CBGD Cc1nc[nH]c1C=NNC(=O)[C@H](C)NS(C)(=O)=O 1319491880 YLCXNNSDKBZISS-ZETCQYMHSA-N 273.318 -0.894 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2ncncc2C1)c1ccnnc1 1326662921 VZUXLSLKBAMONA-SECBINFHSA-N 298.306 -0.167 50 20 CBGD CCC(CC)(CNC(=O)NNC(=O)C(=O)OC)OC 1330173972 JVVGRFWKBMTFRB-UHFFFAOYSA-N 275.305 -0.305 50 20 CBGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)NCC1CC1 1330678333 QNZIQITYKZQWRK-QMMMGPOBSA-N 269.305 -0.730 50 20 CBGD C[C@@H](O)c1cn(CC(=O)NNc2ncncc2Cl)nn1 1343200505 PMSIBWHUIREDBF-ZCFIWIBFSA-N 297.706 -0.082 50 20 CBGD CS(=O)(=O)c1ccc(NNC(=O)C[C@H](O)CN)cc1 1579351502 MPIQHSWZMQVYCL-VIFPVBQESA-N 287.341 -0.757 50 20 CBGD C=C(CCC(=O)O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1588630047 BZJQBCQJNPYCDL-BDAKNGLRSA-N 270.285 -0.020 50 20 CBGD CN(C)C(=O)NNC(=O)c1cc(-c2nn[nH]n2)ccn1 1591004376 ZDXAVOAIONNNDB-UHFFFAOYSA-N 276.260 -0.822 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CO[C@@H](CCC(=O)O)C1 1593793546 SMEKEJSCSWVRAK-BQBZGAKWSA-N 259.262 -0.784 50 20 CBGD Cc1nnc(NNC(=O)N[C@H]2C[C@H](C(=O)O)C2)n1C 1594492695 JEOYFUUJKSRZSF-LJGSYFOKSA-N 268.277 -0.387 50 20 CBGD CC[C@@H](C)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)O 1594947145 ZZNNWIVHCAEUMU-BXKDBHETSA-N 293.128 -0.014 50 20 CBGD CN(C)CC[C@@H](NC(=O)NNC(=O)C(=O)O)C(C)(C)C 1598213340 BXSFNUANZQAQLV-MRVPVSSYSA-N 288.348 -0.232 50 20 CBGD O=C(CO)NN=Cc1cc(C(=O)O)c2n1CCCC2 1601330370 VFTOUMDAGQSEOB-UHFFFAOYSA-N 265.269 -0.035 50 20 CBGD COC(=O)C(=O)NN=Cc1cc(C(=O)O)c(C)o1 1606317472 SQMKJIWRAWMLNW-UHFFFAOYSA-N 254.198 -0.091 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)N(CC#N)CC(=O)O)cn1 1608110732 UYYXGFBZMSWYIG-WMZJFQQLSA-N 273.252 -0.236 50 20 CBGD O=C(NNC(=O)c1ccc(-c2nnn[nH]2)cc1)NC1CC1 95232989 NZIOPTHPUCJMBL-UHFFFAOYSA-N 287.283 -0.027 50 20 CBGD C[C@H](C(=O)NN(C)C(N)=O)n1nnc(-c2ccccc2)n1 181094533 LBIFMRMOPFVTJB-MRVPVSSYSA-N 289.299 -0.057 50 20 CBGD CC(=O)NNC(=O)CCNC(=O)c1ccc(C)cc1O 263931844 DGPIGQSWISQLHY-UHFFFAOYSA-N 279.296 -0.012 50 20 CBGD CCOC(=O)C(C)(C)C(=O)NNC(=O)c1cnn(C)c1 270560243 JHQYDHDBMKDAKP-UHFFFAOYSA-N 282.300 -0.230 50 20 CBGD CN1CCN(C(=O)NNC(=O)Cc2ccco2)CC1 287653444 AMOAWIXPRXZJFD-UHFFFAOYSA-N 266.301 -0.190 50 20 CBGD COCCN(C)NC(=O)c1cnc2[nH]c(=O)[nH]c2c1 297077016 LUSGXZOCNKACHI-UHFFFAOYSA-N 265.273 -0.526 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@]2(F)CCNC2)n1 370763975 SIJLSQNXJKDGOZ-LLVKDONJSA-N 269.280 -0.062 50 20 CBGD CCO/C=C(\C#N)C(=O)NNC(=O)Cc1cc[nH]n1 491108867 YPTQDILBEKUZQB-BQYQJAHWSA-N 263.257 -0.456 50 20 CBGD CCOC(=O)NCC(=O)NNC(=O)NCc1ccco1 492457649 PEPYZYBGQUWOFG-UHFFFAOYSA-N 284.272 -0.144 50 20 CBGD C[C@H](C[S@@](C)=O)C(=O)Nc1cccc(B(O)O)c1 584914480 XRIBLWPTKQKULE-NTCNTBNZSA-N 269.131 -0.681 50 20 CBGD CC[C@H](O)CCCNC(=O)c1ccc(B(O)O)cc1 584954975 QJWXMEBVXSWNGY-LBPRGKRZSA-N 265.118 -0.353 50 20 CBGD O=C(N[C@H]1CCCC[C@H]1O)c1ccc(B(O)O)c(F)c1 584965835 UJHPUWOUMMTSHS-NWDGAFQWSA-N 281.092 -0.461 50 20 CBGD CN(C)C1CCC(NC(=O)c2cccc(B(O)O)c2)CC1 585000784 PRCCPHVPRSSELC-UHFFFAOYSA-N 290.172 -0.031 50 20 CBGD C[C@@H]1O[C@H](C)C[C@@H]1CNC(=O)c1cccc(B(O)O)c1 585002473 WKRUSYHSJPDNNK-JFGNBEQYSA-N 277.129 -0.090 50 20 CBGD CCc1nc(NC(=O)c2cccc(B(O)O)c2)nn1C 585002707 DAFHVQSNTXIJJY-UHFFFAOYSA-N 274.089 -0.690 50 20 CBGD CC(C)C[C@@H](CO)NCc1cccc(B(O)O)c1 585018974 YKUHGEFMTYDGTF-ZDUSSCGKSA-N 251.135 -0.137 50 20 CBGD C[C@H](NCc1ccc(B(O)O)o1)[C@H](C)N1CCOCC1 585023841 MKVSQOVREJZTMV-QWRGUYRKSA-N 282.149 -0.842 50 20 CBGD CCNC(=O)N1CC[C@@H](NCc2cccc(B(O)O)c2)C1 585031005 OFEAYAFBYOXCFW-CYBMUJFWSA-N 291.160 -0.740 50 20 CBGD CC(C)(CNCc1ccc(B(O)O)cc1)OCCO 585040558 GIXNEWDGGYWFMS-UHFFFAOYSA-N 267.134 -0.757 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCCCC[C@H]2O)o1 585040561 GMYAMPNVDVVWGW-GHMZBOCLSA-N 253.107 -0.257 50 20 CBGD CN(C)[C@H]1C[C@@H](CNCc2ccc(B(O)O)cc2F)C1 585045682 LKOHWNXCESZIFQ-GSJFWJNXSA-N 280.152 -0.065 50 20 CBGD CS(=O)(=O)Nc1ccc(/C=C/C(=O)NCB(O)O)cc1 585060814 KFYQAFGQHJIRCX-QPJJXVBHSA-N 298.129 -0.801 50 20 CBGD CC(=O)c1cccc(O[C@@H](C)C(=O)NCB(O)O)c1 585063019 YPBLUMXFMBNQBR-VIFPVBQESA-N 265.074 -0.215 50 20 CBGD O=C(O)NCC(=O)NNc1nc(-c2cccnc2)no1 738653842 OHPFEUOPEXVOPF-UHFFFAOYSA-N 278.228 -0.158 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCCC(=O)N(C)C 746235214 QQYNMXOODOLUJS-UHFFFAOYSA-N 281.316 -0.262 50 20 CBGD NC(=O)NCCC(=O)NNC(=O)CCc1ccccc1 749960172 NPAQXEQUSOJROO-UHFFFAOYSA-N 278.312 -0.175 50 20 CBGD O=C(CC[C@H]1CCOC1)NNC(=O)N1CCOCC1 751362309 BYGWQZOOTCKLKM-JTQLQIEISA-N 271.317 -0.124 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H]1CCC(=O)N1C 752730130 GSPNNRXSHYPQRL-ZETCQYMHSA-N 290.414 -0.535 50 20 CBGD O=C(CO)NNC(=O)Nc1cccc(N2CCCC2=O)c1 755539066 ZHIUNBRSKDZEHE-UHFFFAOYSA-N 292.295 -0.042 50 20 CBGD COc1ccc(NC(=O)NNC(=O)CO)c(C)n1 757684390 XIHHPZCBFQIFMR-UHFFFAOYSA-N 254.246 -0.456 50 20 CBGD C[C@H]1CC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)CN1C 761805039 WLAQRLQJNYGYQO-IUCAKERBSA-N 273.358 -0.383 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1F 764299656 JTUIPULAYIOJBR-UHFFFAOYSA-N 283.259 -0.134 50 20 CBGD CC[C@H](C)C(=O)NN=Cc1cn(CC(=O)O)nn1 768484827 XNKHCMLIVLCICM-ZETCQYMHSA-N 253.262 -0.141 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCOCC1 770722021 ZHRFVYVKJSYVES-BDAKNGLRSA-N 257.290 -0.516 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C(=O)c1cnn(C)c1 772065081 GNHHIIAYLCRNNE-SSDOTTSWSA-N 296.283 -0.908 50 20 CBGD CCOCCONC(=O)NNC(=O)c1ccc[nH]1 776200625 VWSCGYANJJHNLF-UHFFFAOYSA-N 256.262 -0.073 50 20 CBGD CCCNC(=O)c1cccc(C(=O)NNC(=O)CO)c1 777782494 DZJXAQJWMLEUKR-UHFFFAOYSA-N 279.296 -0.420 50 20 CBGD CN1CCN(CC(=O)NNC(=O)CC2CCCC2)CC1=O 781923785 UOTCNXJMSIVUFX-UHFFFAOYSA-N 296.371 -0.512 50 20 CBGD Cc1cccc(C(=O)NNC(=O)Cn2cnc(C#N)n2)n1 794075955 CKJOZWCSWAIJPC-UHFFFAOYSA-N 285.267 -0.686 50 20 CBGD O=C(Cn1cccn1)NNC(=O)N=c1cc[nH]cc1 802028489 ZEGWZWRKOLGJKD-UHFFFAOYSA-N 260.257 -0.447 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1c[nH]nc1C 814835469 RJTCJPCQGLQUIH-MRVPVSSYSA-N 287.345 -0.504 50 20 CBGD O=C(CN1CCC[C@@H](CO)CC1)NNC(=O)C1CC1 815278604 MYVBXLDEEXZTSX-SNVBAGLBSA-N 269.345 -0.362 50 20 CBGD CO[C@@H](C)CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 821464404 KAGUXKSUTIJMSZ-WPRPVWTQSA-N 279.362 -0.598 50 20 CBGD CCCCNC(=O)NNC(=O)c1nc(N)nc(N(C)C)n1 823756173 VSYPJXYKFHGUCG-UHFFFAOYSA-N 296.335 -0.736 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCc2n[nH]cc2C1 823940266 VTNMGDMAMTYWPM-IUCAKERBSA-N 252.318 -0.142 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cccnc1N1CCOCC1 823965156 JMBMYEGUEATGKI-LLVKDONJSA-N 294.355 -0.124 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCN(C)C(=O)[C@@H]1C 827272859 CTHOVEJBHJIONR-LPEHRKFASA-N 298.343 -0.685 50 20 CBGD COC(=O)[C@H]1C[C@H](O)CN(S(=O)(=O)CCl)C1 828382748 WGEICERWEIYJDW-BQBZGAKWSA-N 271.722 -0.632 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCNC(=O)O)n[nH]1 829956143 BSSBLJZXSGIVHT-UHFFFAOYSA-N 255.234 -0.863 50 20 CBGD O=C1C[C@H](NS(=O)(=O)CCl)CN1C1CC1 830783041 UCDXIDMPUPGKRR-LURJTMIESA-N 252.723 -0.135 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cccc(-n2cncn2)n1 832755041 ZAAAIAVCWWYGBP-UHFFFAOYSA-N 290.283 -0.806 50 20 CBGD Cc1nn(C)c2ncc(C=NNC(=O)NCC(=O)O)cc12 833756838 ROFSJAMUHJXDFQ-UHFFFAOYSA-N 290.283 -0.006 50 20 CBGD C[C@@H](N)[C@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 843365486 MHCASNMAIZUUDO-SCZZXKLOSA-N 254.334 -0.787 50 20 CBGD COC(=O)C12CC(C(=O)NNC(=O)Cc3cc[nH]n3)(C1)C2 843790291 ACSHNYCDJMAHAD-UHFFFAOYSA-N 292.295 -0.557 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1 843981010 ZKNHMVNSINXYAV-MXWKQRLJSA-N 285.344 -0.721 50 20 CBGD COC(=O)NNC(=O)[C@@H]1CCc2ncncc2C1 844129083 LRRKLOOGHCQNQW-SSDOTTSWSA-N 250.258 -0.031 50 20 CBGD C[C@H](O)CN(CC(=O)NNC(=O)C1CC1)C1CC1 847098189 YROHUSYZQMNUIB-QMMMGPOBSA-N 255.318 -0.611 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)[C@H]2CC[C@@H]2C(N)=O)c1 847441543 ZMJSWWVCUUPBPT-QWRGUYRKSA-N 286.291 -0.169 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)c1cccnc1 854146279 IMUGGVVABRCHRH-VIFPVBQESA-N 253.258 -0.496 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)OCC(F)(F)F)C1=O 856022879 OVMCNGAAFKMPII-RXMQYKEDSA-N 283.206 -0.216 50 20 CBGD COCC[C@@H](C)NC(=O)NNC(=O)c1cn[nH]c1 858171856 XEUVKLPATIQYKY-SSDOTTSWSA-N 255.278 -0.221 50 20 CBGD CO[C@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(C)C 858288210 XRDVSTGCGGUBCA-RKDXNWHRSA-N 286.332 -0.734 50 20 CBGD Cc1cc(=NNC(=O)[C@@H](C)N2CCN(C)CC2)cc[nH]1 862511308 KNYGNCIBFKBNKG-GFCCVEGCSA-N 277.372 -0.109 50 20 CBGD Cc1cc(=NNC(=O)[C@H](C)NS(C)(=O)=O)cc[nH]1 862511662 XGTKADDQZPCEJA-QMMMGPOBSA-N 272.330 -0.807 50 20 CBGD Cn1c(C(=O)NNC(=O)N2CCOCC2)cnc1Cl 874248004 DKVFKEKONXATDY-UHFFFAOYSA-N 287.707 -0.240 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)Cn2cncn2)cc1 901384079 ILJFBEITEGDIIJ-UHFFFAOYSA-N 289.295 -0.187 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CNC(=O)N1CCCC1 911503472 VFKXMLBHQCRHMJ-UWVGGRQHSA-N 298.343 -0.636 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)NCCCOC 920862714 XSIPLFWCJRCHAS-QMMMGPOBSA-N 274.321 -0.732 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1115843310 GSPUWZWKKJTSGV-UHFFFAOYSA-N 293.327 -0.426 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H](C)n1ccnc1 1115900532 KKEFJQZFAMBJHV-VIFPVBQESA-N 269.305 -0.189 50 20 CBGD CCNC(=O)NNC(=O)c1cc2n(n1)CCCO2 1116771682 HHQXGNKQLCRZLX-UHFFFAOYSA-N 253.262 -0.371 50 20 CBGD CN(NC(=O)CCc1ccccc1C(N)=O)C(N)=O 1116861505 UUQMNTNXORATNW-UHFFFAOYSA-N 264.285 -0.240 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2ccco2)CN1 1251280038 LEZMDFPNXDKQAZ-MRVPVSSYSA-N 280.284 -0.364 50 20 CBGD C[C@@H](C(=O)NNC(=O)OCC(F)(F)F)S(C)(=O)=O 1261754802 LIOMPRFTONWMCD-BYPYZUCNSA-N 292.235 -0.261 50 20 CBGD Cc1n[nH]c(C)c1C=NNC(=O)[C@H]1CCS(=O)(=O)C1 1317852049 FLQJYNRFAZFZQQ-VIFPVBQESA-N 284.341 -0.089 50 20 CBGD CC(C)NC(=O)NNS(=O)(=O)c1ccn(C)n1 1318391740 VVTGKFPPZBOQEA-UHFFFAOYSA-N 261.307 -0.679 50 20 CBGD Cc1cc(NNC(=O)[C@H](C)S(C)(=O)=O)ncn1 1318527485 AYMFNUNZGKRULG-ZETCQYMHSA-N 258.303 -0.339 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)NCC(F)(F)F)o1 1321137106 REBWQSQCKNOPNM-UHFFFAOYSA-N 294.189 -0.115 50 20 CBGD C[C@H](C#N)CNC(=O)NNC(=O)c1cnn(C)c1 1325134817 WQZMKGBOHYBYDN-SSDOTTSWSA-N 250.262 -0.476 50 20 CBGD Cn1nncc1NNC(=O)CNC(=O)C(C)(C)C 1326339948 JOVOKAJQVUJKEK-UHFFFAOYSA-N 254.294 -0.580 50 20 CBGD CN(C)CC(=O)NNC(=O)C1CCC(C(=O)N(C)C)CC1 1329570910 JSSDDSWCHXSKIV-UHFFFAOYSA-N 298.387 -0.410 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCc1cccc(F)c1 1330489402 PEKMYBLAXPUQNX-UHFFFAOYSA-N 283.259 -0.128 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1scnc1C 1330490550 TUPSDPCLBRAVLP-UHFFFAOYSA-N 272.286 -0.545 50 20 CBGD CCOCCn1cc(C(=O)NNC(=O)N(C)C)cn1 1331462174 XDYHSDMPJDTBOG-UHFFFAOYSA-N 269.305 -0.164 50 20 CBGD CCC1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCOCC1 1331802582 FFIXOEPVMDQROI-SECBINFHSA-N 283.328 -0.381 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)N[C@H]2CCOC2=O)cn1 1332138048 ZDZHQKLDFXVDOI-LLGDCAAFSA-N 260.253 -0.241 50 20 CBGD CC(C)(C)NCC(=O)NNC(=O)c1cccnn1 1339766242 PHSMFSPJEYJFLL-UHFFFAOYSA-N 251.290 -0.374 50 20 CBGD C[C@@]1(NNC(=O)NCc2ccon2)CCS(=O)(=O)C1 1339877495 BVTCUUIQSUDVNT-SNVBAGLBSA-N 288.329 -0.444 50 20 CBGD Cc1nn(C)c(N2CCOCC2)c1C=NNC(=O)CO 1341839191 RRKSCPBPTPEWOR-UHFFFAOYSA-N 281.316 -0.992 50 20 CBGD COCC(=O)NCCC(=O)NNC(=O)Nc1ccccc1 1344707196 XGKJYOORFNHYJJ-UHFFFAOYSA-N 294.311 -0.008 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1cnc[nH]1 1345931658 TVSAREBWBHXYPG-NKWVEPMBSA-N 274.302 -0.856 50 20 CBGD NC[C@@H](NC(=O)NNC(=O)c1cccnn1)C1CC1 1580222333 QTZKSOLTVIWVPO-SECBINFHSA-N 264.289 -0.842 50 20 CBGD NCc1ncc(C(=O)NNc2ncc(F)cn2)cn1 1580355008 OPWHBYLRWMUENP-UHFFFAOYSA-N 263.236 -0.379 50 20 CBGD CC(C)(O)[C@H](O)C(=O)NNc1ccc(CC(=O)O)cc1 1590888696 LPQXRKUDLRVHCB-LLVKDONJSA-N 282.296 -0.111 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CC[C@H]1C(=O)O 1594442406 VTGUDYUPJJSHBY-RNFRBKRXSA-N 266.257 -0.410 50 20 CBGD CCC[C@](C)(NC(=O)c1cc(B(O)O)ccc1F)C(=O)O 1595552890 HAPXENKEALKAEB-ZDUSSCGKSA-N 297.091 -0.121 50 20 CBGD Cn1cc(C(=O)NNC(=O)N[C@H]2C[C@@H](C(=O)O)C2)cn1 1600931728 CRWBIZYTIGKBEJ-WRXNHJIOSA-N 281.272 -0.773 50 20 CBGD N[C@@H](CCC(=O)O)C(=O)NNC(=O)c1ccccc1 1601174538 NBBFOTSDSUJRFK-VIFPVBQESA-N 265.269 -0.360 50 20 CBGD O=C(NCC[C@@H]1CCSC1)NNC(=O)C(=O)O 1601493913 YVLOQPRFVJJIOZ-ZCFIWIBFSA-N 261.303 -0.455 50 20 CBGD Cn1c(C(=O)O)ccc1C(=O)NNC(=O)c1ncccn1 1608083811 PEUWBFNBPVVQSR-UHFFFAOYSA-N 289.251 -0.412 50 20 CBGD COC[C@@H](C)NC(=S)NNC(=O)Cc1cc(C)n[nH]1 17514258 IREXJCZDQYWUKW-MRVPVSSYSA-N 285.373 -0.209 50 20 CBGD C[C@H](CN1CCOCC1)NC(=O)NNc1ncccn1 46481515 KRJGJAKZWMSNDE-SNVBAGLBSA-N 280.332 -0.177 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cscn2)cn1 117679070 ZMNPEXRWFDVIQN-UHFFFAOYSA-N 251.271 -0.049 50 20 CBGD CC(=O)N[C@H](C(=O)NNC(=O)NC(C)C)C(C)C 119565027 JXZQEHQVSRCULI-VIFPVBQESA-N 258.322 -0.114 50 20 CBGD O=C(CN1CC(=O)N[C@H]2CCCC[C@@H]21)NNC(=O)C1CC1 132229349 GWVSHDGIEMBSNU-QWRGUYRKSA-N 294.355 -0.713 50 20 CBGD Cc1cn(-c2ccccc2)nc1C(=O)NNC(=O)CO 184489513 WUCMRGIDVBZIED-UHFFFAOYSA-N 274.280 -0.066 50 20 CBGD CCOC(=O)CC(=O)NNc1nccc(OC)n1 299634753 SYHOCVVLBAPIJY-UHFFFAOYSA-N 254.246 -0.119 50 20 CBGD O=C(N[C@H]1CC[C@H](O)CC1)c1cc(B(O)O)ccc1F 584964468 FGCHFVJIUZZREW-MGCOHNPYSA-N 281.092 -0.461 50 20 CBGD C[C@]1(CO)CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 584965472 PBKBOPJXUVBAJM-AWEZNQCLSA-N 295.119 -0.260 50 20 CBGD C[C@H](O)C[C@@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F 584966095 VYVOHORPYFQNFT-ONGXEEELSA-N 295.119 -0.119 50 20 CBGD C[C@@]1(O)CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584981538 YMKSNLSLRHGYKX-GFCCVEGCSA-N 267.065 -0.898 50 20 CBGD COC[C@@H](C)[C@H](C)NC(=O)c1ccc(B(O)O)cc1 584992285 NPISMMOTYOHAIG-ZJUUUORDSA-N 265.118 -0.233 50 20 CBGD CCCN1C[C@H](NC(=O)c2cccc(B(O)O)c2)CC1=O 585003165 NJPZQPQLHMQMQL-GFCCVEGCSA-N 290.128 -0.893 50 20 CBGD C[C@H]1CN(C2CC2)C[C@H]1NCc1ccc(B(O)O)o1 585028640 NZMQXSWKHGHBGS-JOYOIKCWSA-N 264.134 -0.468 50 20 CBGD OB(O)c1cccc(CN[C@@H]2CCc3c[nH]nc3C2)c1 585029488 AFIHNVRKAPXEGX-CYBMUJFWSA-N 271.129 -0.263 50 20 CBGD C[C@@H](CC[S@@](C)=O)NCc1ccc(B(O)O)o1 585030486 GFBJYANGCFKLES-WNWIJWBNSA-N 259.136 -0.794 50 20 CBGD CCNC(=O)C1(CNCc2ccccc2B(O)O)CCC1 585037753 IYENHFREMSMSOM-UHFFFAOYSA-N 290.172 -0.238 50 20 CBGD CN1CCN(CCNCc2ccc(B(O)O)o2)CC1(C)C 585039608 UOSGPCUAMLIFHI-UHFFFAOYSA-N 295.192 -0.925 50 20 CBGD CC(C)[C@H](CO)CNCc1ccc(B(O)O)cc1F 585040910 RNRYXADHPLWXKW-NSHDSACASA-N 269.125 -0.140 50 20 CBGD C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CC[C@@H](B(O)O)C2)C1 585057852 MIBFJRKJVWILQL-OUAUKWLOSA-N 290.194 -0.242 50 20 CBGD NC(=O)c1cnc(N2CC[C@H](B(O)O)C2)c(Cl)c1 585072698 DTCRRCICHSEHHX-ZETCQYMHSA-N 269.497 -0.113 50 20 CBGD Cn1ccc(S(=O)(=O)NNC(=O)C(C)(C)C)n1 727356949 IVLLUUWWYXGHOU-UHFFFAOYSA-N 260.319 -0.224 50 20 CBGD Cc1nn(C)c(C)c1[C@H](C)C(=O)NNC(=O)CN(C)C 733359581 RYUUTBFSOONVNO-QMMMGPOBSA-N 281.360 -0.151 50 20 CBGD CSc1nc(C(=O)NNC(=O)CO)c2ccccn12 753445517 LELXQTOJBNAPCC-UHFFFAOYSA-N 280.309 -0.191 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=O)c1cccc(C#N)c1 754998615 RBPJKTKMAUQWGV-ZDUSSCGKSA-N 277.280 -0.283 50 20 CBGD Cn1cc(C(=O)NNC(=O)Nc2cnns2)cn1 755342114 BDXTXEQJRYJRJK-UHFFFAOYSA-N 267.274 -0.262 50 20 CBGD CCOC(=O)[C@H]1CCC(=NNC(=O)C(N)=O)[C@H](C)C1 761250483 BFGARHAVNSWWHN-SFYZADRCSA-N 269.301 -0.057 50 20 CBGD CC(C)[C@@H](CO)NCC(=O)NNC(=O)C(C)(C)C 766890062 POVXMVXYJFXQGH-SECBINFHSA-N 259.350 -0.214 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CCc1cnccn1 771461099 NYXPNWVXFFTXMB-SNVBAGLBSA-N 279.344 -0.103 50 20 CBGD O=C(NNC(=O)[C@@H]1COCCO1)[C@@H]1CCCCO1 772155415 ZUWGWADXNWPFDV-IUCAKERBSA-N 258.274 -0.882 50 20 CBGD CC[C@@H](CO)C(=O)NNC(=O)COc1ccccc1O 779767635 FLQUCYGAWHOONI-VIFPVBQESA-N 282.296 -0.063 50 20 CBGD C[C@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)[C@@H]1CO 785517658 WXLFVVFMOSHVTR-VHSXEESVSA-N 271.361 -0.117 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1CCCN1C1CC1 787885517 BMTHPZMSZQGJMP-SNVBAGLBSA-N 254.334 -0.678 50 20 CBGD NC(=O)C(=O)NN=CC[C@@H]1CCCCC12OCCO2 788698077 NKWGMOULOAOMDQ-VIFPVBQESA-N 269.301 -0.103 50 20 CBGD CCOC1CC(C(=O)NNC(=O)C(=O)N2CCCC2)C1 805172816 PKQJTPYDHWGKEE-UHFFFAOYSA-N 283.328 -0.429 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@](C)(O)C1CC1 805578007 LRPMCPUNCQRJBR-MADCSZMMSA-N 272.301 -0.364 50 20 CBGD O=C1C[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)N1 820115105 XUVVJOUIZCSFGL-MRVPVSSYSA-N 291.263 -0.893 50 20 CBGD Cc1oc(S(=O)(=O)NNC(=O)N(C)C)cc1C(=O)O 833026776 KMKQODRGPDDKKZ-UHFFFAOYSA-N 291.285 -0.249 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(N)=O)cn1 843648886 RZJGTUVLDPFGLX-IONNQARKSA-N 292.295 -0.634 50 20 CBGD Cc1nn(CC(=O)NNC(=O)CC(C)(C)C)c(=O)n1C 848370560 YDJSZQPYMZHCFI-UHFFFAOYSA-N 283.332 -0.526 50 20 CBGD CNC[C@@H](C)NC(=O)NNC(=O)COc1ccccc1O 851680281 IBCKFLCKAPYLPZ-SECBINFHSA-N 296.327 -0.291 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CC(=O)N(CC(C)C)C1 854925645 JDWIZXYOSASRGQ-VIFPVBQESA-N 286.401 -0.042 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cn(C3CC3)nn2)CC1 861570834 NLMNIBNXUHEAPZ-UHFFFAOYSA-N 293.331 -0.785 50 20 CBGD C[C@H](CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 862454096 QIUWPDJWUHIWKL-APPZFPTMSA-N 253.302 -0.151 50 20 CBGD CS[C@H](C)CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862457443 JPLFDMXNWOATQB-RQJHMYQMSA-N 259.331 -0.446 50 20 CBGD CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862464201 UTXOZZJHDRYCJL-HRDYMLBCSA-N 283.328 -0.384 50 20 CBGD COc1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)cn1 863153381 SSKISOJKGKRJJJ-VIFPVBQESA-N 262.269 -0.181 50 20 CBGD CCC[C@](C)(O)C(=O)NNC(=O)COCCOC 869908645 SJWSQCJIXKQOEI-NSHDSACASA-N 262.306 -0.652 50 20 CBGD CN1CCO[C@@H](C(=O)NCCCSC#N)C1=O 908032524 OYGFKBRJAGXSKJ-QMMMGPOBSA-N 257.315 -0.436 50 20 CBGD C[C@@H]1NC(=O)[C@@H](C)N(C(=O)c2ccc(B(O)O)cc2)[C@H]1C 911778861 NBSPFBDUBGSTJW-LPEHRKFASA-N 290.128 -0.896 50 20 CBGD COCC1(CC(=O)NNC(=O)CN2CCCC2=O)CC1 913733415 IQLHRGCAXFKRJX-UHFFFAOYSA-N 283.328 -0.427 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C(=O)NC2(CCCC2)C1=O 915775963 GTBZWRYTSBFEKB-UHFFFAOYSA-N 296.327 -0.346 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCN1CCNC1=O 924249506 PIKJURNYIPTVRH-CMDGGOBGSA-N 252.274 -0.428 50 20 CBGD Cn1ccnc(NNC(=O)Cc2cccnc2)c1=O 1116321593 JESSAMJXHPSTPM-UHFFFAOYSA-N 259.269 -0.139 50 20 CBGD Cn1cc(NC(=O)NNC(=O)CCO)c(C(F)(F)F)n1 1116717998 SPDCFVXDUAHTED-UHFFFAOYSA-N 295.221 -0.026 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cnn2ccncc12 1116878720 BERHBPLVUGXJCB-UHFFFAOYSA-N 285.267 -0.164 50 20 CBGD O=C(NNc1ccncn1)[C@@H]1CC(=O)N(C2CC2)C1 1262626313 LKRBZMLCHMOOQJ-MRVPVSSYSA-N 261.285 -0.069 50 20 CBGD COC(=O)c1cccc(C(=O)NNC(=O)N(C)C)n1 1318161024 UXZZMNNRYKNAFE-UHFFFAOYSA-N 266.257 -0.216 50 20 CBGD Cc1noc(CCCC(=O)NNC(=O)Cc2cc[nH]n2)n1 1318297572 IJYSWESNRGWZAK-UHFFFAOYSA-N 292.299 -0.186 50 20 CBGD NC(=O)[C@H]1CC[C@@H](CNC(=O)NNC(=O)C2CCC2)O1 1319109025 HAJOWDJBSDVILU-DTWKUNHWSA-N 284.316 -0.850 50 20 CBGD CCn1cnnc1CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1325960699 IUJPDYVIFHEBIB-DTWKUNHWSA-N 296.331 -0.447 50 20 CBGD Cc1cnc(CC(=O)NNC(=O)C(=O)NC(C)C)s1 1329034858 BKHBTRBBRMSAOC-UHFFFAOYSA-N 284.341 -0.334 50 20 CBGD C[C@H](C(=O)NNC(=O)Cc1cccnc1)[C@H]1CCC(=O)N1 1329223273 OCWCDRAGIIYJOB-GXSJLCMTSA-N 290.323 -0.314 50 20 CBGD C[C@@H]1CC[C@@H](C(=O)O)CN1CC(=O)NNC(=O)C1CC1 1329419556 DLNYJRQSOQCGKV-PSASIEDQSA-N 283.328 -0.271 50 20 CBGD COCCOCC(=O)NNC(=O)c1c(C)cnn1C 1332145598 DPKYYPCUAJKVAD-UHFFFAOYSA-N 270.289 -0.847 50 20 CBGD C#CCCCC(=O)NNC(=O)C1CN(C(C)=O)C1 1333527711 INTRNTOOOWBNCN-UHFFFAOYSA-N 251.286 -0.584 50 20 CBGD Cn1cc(CCC(=O)NNC(=O)C(=O)N2CCCC2)cn1 1338090524 WQCUHPORDNNODJ-UHFFFAOYSA-N 293.327 -0.878 50 20 CBGD O=C(C[C@H]1C=CS(=O)(=O)C1)NNC(=O)c1ccccn1 1340155825 DOBKEOFABOFMRZ-SECBINFHSA-N 295.320 -0.209 50 20 CBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNc1ccc(C#N)cn1 1347765462 SXFBYEYXODJUAY-JQWIXIFHSA-N 286.339 -0.215 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)NNC(=O)c1cn[nH]c1 1348122850 NASDTZAEKGRZAI-UHFFFAOYSA-N 282.304 -0.179 50 20 CBGD CC(C)(C)C(=O)NNC(=O)[C@H]1CC(C(=O)O)=NO1 1573390153 IPUKQMCOSNVNGD-ZCFIWIBFSA-N 257.246 -0.591 50 20 CBGD CC[C@H](N)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C 1578232581 CWAODKWRPJTMNT-QMMMGPOBSA-N 288.348 -0.214 50 20 CBGD Cc1cc(NNC(=O)[C@@H]2CCCN(CCN)C2=O)ncn1 1579635984 QWXWXGPOJSLISV-JTQLQIEISA-N 292.343 -0.575 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C2 1588795465 AFKARXPWOVOFIX-UPFKWVMWSA-N 284.312 -0.204 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@H](C)[C@@](C)(C(=O)O)C1 1590939251 SPCCUYSQPQEGCA-ZANVPECISA-N 285.344 -0.168 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O 1603760893 AMZCUCPARNJUKS-SVDPJWKOSA-N 297.355 -0.169 50 20 CBGD O=C(NNC(=O)c1cn[nH]n1)c1cccc([N+](=O)[O-])c1 48888787 FYVPQCONWAFVTQ-UHFFFAOYSA-N 276.212 -0.212 50 20 CBGD CCCCNC(=O)NNC(=O)c1ccc(=O)n(C)n1 49143453 SOJGOWZPIMLIQM-UHFFFAOYSA-N 267.289 -0.476 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=O)c1cccc(C#N)c1 103403147 QOPOCNRLEGLZSG-MRVPVSSYSA-N 274.280 -0.156 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCNC(=O)[C@@H]1C 111216864 UDBZCLLQEOBLMH-UWVGGRQHSA-N 284.360 -0.611 50 20 CBGD CCOCCO[C@H](C)C(=O)NNC(=O)c1cc(C)n[nH]1 269058425 PNOCUZPCMUXSMI-SECBINFHSA-N 284.316 -0.079 50 20 CBGD COc1cccc(NNC(=O)Cn2cc([C@@H](C)O)nn2)n1 273065254 ZAGJBLQYDMYEDZ-MRVPVSSYSA-N 292.299 -0.122 50 20 CBGD CSC1(CNC(=O)NNC(=O)C(=O)NC2CC2)CC1 280111815 UNPROVPBXHEYNX-UHFFFAOYSA-N 286.357 -0.509 50 20 CBGD CC[C@@H]1C[C@H]1NC(=O)NNC(=O)C(=O)N1CCCC1 280881172 ZFGBWCBAFRAZQM-RKDXNWHRSA-N 268.317 -0.262 50 20 CBGD COC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)c1cc(C)n[nH]1 285954591 ZTEGRTGROPVVIS-YUMQZZPRSA-N 280.284 -0.322 50 20 CBGD COCCCNC(=O)NNC(=O)/C=C/c1ccnn1C 299240155 RIZXFOIWVHMSDH-SNAWJCMRSA-N 281.316 -0.200 50 20 CBGD Cc1ccc2c(c1)CC[C@@H](C(=O)NNC(=O)CO)O2 369798223 BWLGKSXQMKZOFC-NSHDSACASA-N 264.281 -0.172 50 20 CBGD CS(=O)(=O)N1CC[C@@H](COc2ccc(B(O)O)cc2)C1 584910263 PARRKNGWHJDPNF-SNVBAGLBSA-N 299.157 -0.973 50 20 CBGD CCn1nnc(C)c1COc1ccc(B(O)O)cc1 584910713 SDSGIKFMKQIDTJ-UHFFFAOYSA-N 261.090 -0.135 50 20 CBGD COCCOCCCNC(=O)c1cc(B(O)O)ccc1F 584925749 NEJRSJYVWFHRCI-UHFFFAOYSA-N 299.107 -0.712 50 20 CBGD C[C@@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)CCN1C 584949188 CZTKOIDHRXWKAN-ZWNOBZJWSA-N 276.145 -0.421 50 20 CBGD CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(B(O)O)cc1 584976879 UWIBFTCMHJKOBB-CHWSQXEVSA-N 293.128 -0.710 50 20 CBGD C[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)c1ncn(C)n1 584977027 OPRBHNCFWZPJCQ-SSDOTTSWSA-N 292.079 -0.875 50 20 CBGD C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(B(O)O)ccc1F 585000012 VYVWVUCVZCOCDH-NEPJUHHUSA-N 279.076 -0.421 50 20 CBGD CCO[C@@H]1C[C@@H]1NCc1ccc(B(O)O)cc1F 585038673 KEZCZTHLVMSFJY-NWDGAFQWSA-N 253.082 -0.228 50 20 CBGD O=C(NCB(O)O)c1ccc(-c2ccccn2)nc1 585063269 VUSHZDKEZBDADM-UHFFFAOYSA-N 257.058 -0.115 50 20 CBGD CC(=O)N[C@H](C(=O)N1CC[C@@H](B(O)O)C1)C1CCCC1 585072797 RPBNVQOGVCGKGY-NEPJUHHUSA-N 282.149 -0.243 50 20 CBGD OB(O)[C@@H]1CCN(c2nccc(N3CCOCC3)n2)C1 585078733 KQQXASTVAQPLGV-SNVBAGLBSA-N 278.121 -0.634 50 20 CBGD OB(O)c1cnc(Cl)nc1N[C@H]1CC[C@H](O)CC1 668362577 LJAJBPBUKGICSW-LJGSYFOKSA-N 271.513 -0.475 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](C(=O)O)C1 736847027 JKHBGGJZCZQTSD-BDAKNGLRSA-N 271.317 -0.271 50 20 CBGD CNC(=O)CCN(C)CC(=O)NNC(=O)C(C)(C)C 744395946 AHRPTWIJULPMKL-UHFFFAOYSA-N 272.349 -0.752 50 20 CBGD COC[C@@H](C)CC(=O)NNC(=O)C(=O)NC1CC1 755065660 UVIQPKPOEPGZRO-ZETCQYMHSA-N 257.290 -0.915 50 20 CBGD COc1cc(OC)c(OC)cc1NC(=O)NNC(=O)CO 757719754 DVZWFELIWUJGAQ-UHFFFAOYSA-N 299.283 -0.143 50 20 CBGD COc1nccnc1NNC(=O)[C@H](C)NC(C)=O 764465405 MIWZEBKCZNDLTM-LURJTMIESA-N 253.262 -0.547 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1CCN(C)C1=O 776226574 HAJRLARYCQXBOP-ZETCQYMHSA-N 265.273 -0.593 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCCC(N)=O 787386851 KBBZLPUIQKSTIC-UHFFFAOYSA-N 286.332 -0.906 50 20 CBGD CC[C@@](C)(OC)C(=O)NNC(=O)Cc1cc[nH]n1 795084698 FEXFQYANBPACRH-LLVKDONJSA-N 254.290 -0.085 50 20 CBGD Cc1cnn(CCC(=O)NNC(=O)N2CCN(C)CC2)c1 807380879 ULGXRCICAQLPDB-UHFFFAOYSA-N 294.359 -0.430 50 20 CBGD Cn1nnc2c1C[C@H](C(=O)NN=c1cc[nH]cc1)CC2 810971481 ZUPRNVFKLTVBIF-SECBINFHSA-N 272.312 -0.120 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)c1ccccn1 814184713 AKWNJWNFXKMMLU-SECBINFHSA-N 286.295 -0.303 50 20 CBGD Cn1c(=O)n(CC(=O)NNc2nc[nH]n2)c2ccccc21 816631270 LVHZJMKLWFZULL-UHFFFAOYSA-N 287.283 -0.399 50 20 CBGD C[C@@H](NC(=O)c1ccoc1)C(=O)NNc1nc[nH]n1 816631630 YCVXDBJPJKDBAP-ZCFIWIBFSA-N 264.245 -0.341 50 20 CBGD COc1ccc(NNC(=O)CN2CCOC2=O)nc1 822277137 NPUXEBZIBPRFLI-UHFFFAOYSA-N 266.257 -0.015 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)C(OC)OC 822779095 SFRRSNYCDZDHSR-UHFFFAOYSA-N 278.305 -0.458 50 20 CBGD CCCS(=O)(=O)CC(=O)NN(C)[C@H](C)CO 823965348 LSOAHOTWWFKTDX-MRVPVSSYSA-N 252.336 -0.845 50 20 CBGD CC(C)N1C(=O)C[C@@H](NS(=O)(=O)CCl)C1=O 830778223 IFMJGSWMBIABOP-ZCFIWIBFSA-N 268.722 -0.362 50 20 CBGD CCNC(=O)N(C)NC(=O)C[C@@H]1CSCCN1 831944663 FMKFDTJAFZHUCY-MRVPVSSYSA-N 260.363 -0.226 50 20 CBGD CC(C)(C)N1C[C@@H](C(=O)NNc2nc[nH]n2)CC1=O 839769401 LDUYQEUCLRYCOF-ZETCQYMHSA-N 266.305 -0.105 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1=COCCO1 843640817 PWNFNBLWKUPLRG-JGVFFNPUSA-N 256.258 -0.553 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(N)=O)o1 843977077 FORNHLYRMVTDRJ-BQBZGAKWSA-N 281.268 -0.436 50 20 CBGD COCCN(C)NC(=O)C1(C(=O)NC2CC2)CC1 848377344 JEVPSXDVWVOBIW-UHFFFAOYSA-N 255.318 -0.345 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@H](C)N(C)C 854282392 JFQGYYLLCQOEHJ-VIFPVBQESA-N 276.406 -0.190 50 20 CBGD COCCCNC(=S)N(C)NC(=O)Cc1ncc[nH]1 854286035 QXCZQGBLNPTVFQ-UHFFFAOYSA-N 285.373 -0.174 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@H]1CCNC(=O)C1)C1CC1 855098366 GLAHYLXRHUFRFR-CBAPKCEASA-N 284.385 -0.194 50 20 CBGD C[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)c1cc[nH]n1 855354340 ATEIDRQRYMZWDV-SSDOTTSWSA-N 262.273 -0.227 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](C)[C@H](CO)C1 856795206 CDJGNLBQVUKHNP-VWYCJHECSA-N 271.361 -0.117 50 20 CBGD CCOC(=O)C[C@H](C)CNC(=O)NNC(=O)c1cn[nH]c1 858329871 GQTMCKPXSKPZMH-QMMMGPOBSA-N 297.315 -0.057 50 20 CBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)c2cn[nH]c2)CCO1 862470275 CTOJVOBZLDZFIS-SFYZADRCSA-N 252.274 -0.014 50 20 CBGD Cc1csc(C(=O)NNC(=O)[C@@H]2CCNC2=O)c1 862480558 XXLSJZLKZHQZHT-SSDOTTSWSA-N 267.310 -0.046 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)/C=C\COC 866027053 VDKXPKSOCRONPK-SREVYHEPSA-N 271.317 -0.359 50 20 CBGD O=C1NCCC[C@H]1C(=O)NNc1ncc(F)cn1 867042833 CQYNJCDQYRDCOU-SSDOTTSWSA-N 253.237 -0.415 50 20 CBGD COCCOCC(=O)NNS(=O)(=O)c1ccccc1 872382819 ZNJJKNCZMXSSKZ-UHFFFAOYSA-N 288.325 -0.341 50 20 CBGD CCN(C(=O)c1cccc(B(O)O)c1)C(C)(C)C(=O)OC 886432882 MYIAOWUGPSBMGD-UHFFFAOYSA-N 293.128 -0.220 50 20 CBGD CC[C@@H](C(=O)NNC(=O)CN1CCCC1=O)N(CC)CC 913731157 WOOKULUDUPDTIH-NSHDSACASA-N 298.387 -0.123 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1CCC(=O)NC1 1119911300 MHAYJQOKAPNYHI-VIFPVBQESA-N 251.286 -0.537 50 20 CBGD CCNC(=O)NNC(=O)CC1(CS(C)(=O)=O)CC1 1252449293 YRHRBQZNECIUEG-UHFFFAOYSA-N 277.346 -0.448 50 20 CBGD COC(=O)c1cc(C=NNC(=O)C(N)=O)oc1C 1317728809 KBHSNZOWNZUSFG-UHFFFAOYSA-N 253.214 -0.690 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCCc2c1cnn2C 1319300529 XUVGOFMVINFBDC-MRVPVSSYSA-N 295.299 -0.699 50 20 CBGD Cc1ccc(C(=O)NNC(=O)Cn2cc([C@H](C)O)nn2)o1 1319719713 PDSZYQUWQSKJPW-QMMMGPOBSA-N 293.283 -0.306 50 20 CBGD O=C(CCc1ccncn1)NNC(=O)N1CCOCC1 1320749196 DBNLYEPJSQUHLE-UHFFFAOYSA-N 279.300 -0.518 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)NC(C)C)ns1 1320930338 LJORUXHGWOVDQK-UHFFFAOYSA-N 270.314 -0.263 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@]1(O)CCSC1 1323198214 VPGFGYPMLYTZBM-SECBINFHSA-N 263.388 -0.242 50 20 CBGD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NNc1ncc(F)cn1 1325051083 ODYOPTQKKIDXGQ-RCOVLWMOSA-N 297.290 -0.666 50 20 CBGD C[C@H](NC(=O)NNC(=O)c1cn[nH]c1)c1ccn(C)n1 1328798181 CSVHROZJHCHRJD-ZETCQYMHSA-N 277.288 -0.152 50 20 CBGD CC(C)c1ocnc1C(=O)NNC(=O)CS(C)(=O)=O 1329590616 SRMAHGUKFUSAIT-UHFFFAOYSA-N 289.313 -0.396 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)NC1CCN(C2CC2)CC1 1329710920 RRAJJBWHPOUJEU-UHFFFAOYSA-N 292.343 -0.020 50 20 CBGD COC(=O)c1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)on1 1330141667 BDAHVDIVWFOTQV-ZETCQYMHSA-N 280.240 -0.810 50 20 CBGD O=C(NNC(=O)C1CCOCC1)c1cccnn1 1331959661 KOTQXPXQUNOHBM-UHFFFAOYSA-N 250.258 -0.336 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@]2(CCOC2=O)C1 1336358622 WRRQWDHOOZAMFV-CQSZACIVSA-N 289.096 -0.854 50 20 CBGD Cc1cc(C)nc(NNC(=O)CNC(=O)[C@@H]2CCCN2)n1 1346003733 ZGIPKQKXONJHFE-JTQLQIEISA-N 292.343 -0.595 50 20 CBGD CO[C@H](C(=O)N1CC[C@@H](B(O)O)C1)c1cnn(C)c1 1351728242 CWCSCRMALYALLI-ZJUUUORDSA-N 267.094 -0.817 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cc2n(n1)CCC[C@H]2N 1576271892 IWAJMAVUYFNFGB-RKDXNWHRSA-N 267.333 -0.366 50 20 CBGD C[C@H](CC(=O)O)NC(=O)NNC(=O)c1cn[nH]c1 1589001510 KQSDYJGBJQCEKF-RXMQYKEDSA-N 255.234 -0.783 50 20 CBGD Cn1nc(C(=O)O)cc1NC(=O)NNC(=O)c1ccc[nH]1 1601005122 TWTFAVAGPSQGPP-UHFFFAOYSA-N 292.255 -0.087 50 20 CBGD O=C(O)c1ccc(C(=O)NNC(=O)c2cnn[nH]2)c(F)c1 1602323410 HXKFUZHKHCSWKI-UHFFFAOYSA-N 293.214 -0.283 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)[C@H]1CC(C(=O)O)=NO1 1605351028 KPEGHGKIYVJEOZ-SNVBAGLBSA-N 291.263 -0.014 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@H]1C(=O)O)c1ccccn1 1605815717 SLJQXCHPXXWVFM-JGVFFNPUSA-N 263.253 -0.047 50 20 CBGD O=C(NCc1ccc2c(c1)OCCO2)NNC(=O)C(=O)O 1610698309 PCZOTFIVYLWZRP-UHFFFAOYSA-N 295.251 -0.627 50 20 CBGD N#CC1=CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1645676282 MIOPCIYQIPMRPC-UHFFFAOYSA-N 283.353 -0.601 50 20 CBGD COc1ncnc(OC)c1C(=O)NNC(=O)C1CC1 264709107 GDBTWMKJBCNNMM-UHFFFAOYSA-N 266.257 -0.335 50 20 CBGD CS[C@@H](C)CNC(=O)NNC(=O)C(=O)NC1CC1 269903050 NHSRTJZKOAIWIG-LURJTMIESA-N 274.346 -0.653 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc([N+](=O)[O-])[nH]n2)O1 294034755 XSRSKEBPNMJEPW-FSPLSTOPSA-N 283.244 -0.354 50 20 CBGD CCOC(=O)NNS(=O)(=O)c1cnn(C)c1C 496680379 ACDWZCLHJQOXHJ-UHFFFAOYSA-N 262.291 -0.332 50 20 CBGD CN1C(=O)CC[C@@H]1CC(=O)Nc1cccc(B(O)O)c1 584912835 WEEYETLORAAZLY-LLVKDONJSA-N 276.101 -0.684 50 20 CBGD CC(C)C[C@@](C)(NC(=O)c1ccc(B(O)O)cc1)C(N)=O 584945782 LUJUFKPYOICGQO-CQSZACIVSA-N 292.144 -0.614 50 20 CBGD CCN1CCCC[C@H]1CNC(=O)c1ccc(B(O)O)cc1 584946187 PAWCLVRGUBJIJN-AWEZNQCLSA-N 290.172 -0.029 50 20 CBGD CC[C@@H](COC)NC(=O)c1ccc(B(O)O)c(F)c1 584947969 ANUIRGQZVDCTMO-VIFPVBQESA-N 269.081 -0.340 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)CN1C1CC1 584956838 BRZYPOQKYJOXBA-ZWNOBZJWSA-N 288.156 -0.279 50 20 CBGD CN(CCOCC1CC1)C(=O)c1ccc(B(O)O)cc1 584956999 BEFCDEJMFSKFAY-UHFFFAOYSA-N 277.129 -0.135 50 20 CBGD C[C@@]1(O)CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 584968435 AXFOUBWUACUYRV-CYBMUJFWSA-N 281.092 -0.508 50 20 CBGD CCN1CCN(C(=O)c2cccc(B(O)O)c2)[C@H](C)C1=O 584973264 FGNAUDQAHRNFSM-SNVBAGLBSA-N 290.128 -0.941 50 20 CBGD CC1(C)CN(C(=O)c2cc(B(O)O)ccc2F)C[C@H]1O 584982966 LMDAYZQHEYBOPL-LLVKDONJSA-N 281.092 -0.652 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@]12CCOC2 584995447 WEUJWFGPWJVYRP-CQSZACIVSA-N 275.113 -0.239 50 20 CBGD OC[C@H](CCF)NCc1ccc(B(O)O)cc1F 585045636 KPWXCZMODHLUAM-JTQLQIEISA-N 259.061 -0.684 50 20 CBGD CCN1C[C@@H](CNCc2ccccc2B(O)O)CC1=O 585046202 SSYRKCCNGKVHNP-LLVKDONJSA-N 276.145 -0.676 50 20 CBGD O=C(Cc1c[nH]c2cc(F)ccc12)NCB(O)O 585061269 OPQSDCGRFUKYIZ-UHFFFAOYSA-N 250.038 -0.022 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccn(C)c(=O)c1 731852186 JIGNLGQBZCCKFE-UHFFFAOYSA-N 275.268 -0.508 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NCc1nnnn1C1CC1 743600084 ZVWURBFMFBCFAO-UHFFFAOYSA-N 281.320 -0.116 50 20 CBGD COCCO[C@@H](C)C(=O)NN=Cc1ccnn1C 748254313 YMACJRNTAVPYDV-VIFPVBQESA-N 254.290 -0.078 50 20 CBGD Cc1nc(C(=O)NNC(=O)CO)nn1-c1ccccc1 753445294 XLIDNUWPRIEFSS-UHFFFAOYSA-N 275.268 -0.671 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1CCc2n[nH]cc2C1 756948052 UJKQCOUQZUCOLN-VIFPVBQESA-N 295.343 -0.119 50 20 CBGD NC(=O)c1ccc(NNC(=O)CC[C@@H]2CCCO2)nn1 757404268 OAEXIYJPODBGAI-QMMMGPOBSA-N 279.300 -0.022 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)[C@@H]1CCNC1=O 759423424 JSTSJXMXEJZKOH-NXEZZACHSA-N 284.360 -0.611 50 20 CBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1 764428220 CZGJGXWXKFJXHM-UHFFFAOYSA-N 281.268 -0.837 50 20 CBGD C[C@H]1C[C@@H](C(=O)NNC(=O)N2CCOCC2)CCO1 776343174 RFYOCBZGMLTCHD-UWVGGRQHSA-N 271.317 -0.126 50 20 CBGD CC(=O)OC(C)(C)C(=O)NNC(=O)Cc1cc[nH]n1 779766922 DIPAVNOAPMDFTI-UHFFFAOYSA-N 268.273 -0.559 50 20 CBGD CCNC(=O)NNC(=O)[C@@H](NC(N)=O)C(C)(C)C 800328190 INZYXMBOLNCZCL-ZCFIWIBFSA-N 259.310 -0.580 50 20 CBGD N#Cc1ncn(CC(=O)NNc2ncccc2F)n1 804218355 VOCIBZUVIPVRAF-UHFFFAOYSA-N 261.220 -0.173 50 20 CBGD Cn1[nH]cnc1=NC(=O)NNc1ncccc1F 806364052 QBZXCFVPGQSFGD-UHFFFAOYSA-N 251.225 -0.080 50 20 CBGD COc1cccc(NCC(=O)NNC(=O)CNC(C)=O)c1 817276897 SLPGCNNWNSCTSG-UHFFFAOYSA-N 294.311 -0.609 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1 826971219 IUGNUZPCFDTKNV-RKDXNWHRSA-N 299.327 -0.451 50 20 CBGD O=C1C[C@@H](C(=O)NNc2ccc(C(F)(F)F)nn2)N1 831157911 RKKSHHLEORRTPO-BYPYZUCNSA-N 275.190 -0.173 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@]1(COC)CCNC1 831946052 ZJLXHEIXIQBSAZ-NSHDSACASA-N 258.322 -0.695 50 20 CBGD CO[C@H](CC(C)C)C(=O)NNC(=O)C(=O)N1CCCC1 841385445 BATOXYMJAOHONW-SNVBAGLBSA-N 285.344 -0.183 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n(C)n1 843647337 SQZXBARAFJWEFC-BDAKNGLRSA-N 266.301 -0.085 50 20 CBGD O=C(NCC(F)F)NNC(=O)[C@H]1CCS(=O)(=O)C1 849333062 LGTSQGJPNYAMQL-YFKPBYRVSA-N 285.272 -0.983 50 20 CBGD Cn1nncc1NNC(=O)[C@@H]1CC(c2cccnc2)=NO1 857273547 QHPCCKPZYPXGTM-JTQLQIEISA-N 287.283 -0.154 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 858168158 NZSZQZWOYGQXDA-XKNYDFJKSA-N 285.344 -0.282 50 20 CBGD CC(C)C[C@H](CO)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858694941 CUEFNZKIECMGPQ-RKDXNWHRSA-N 286.332 -0.998 50 20 CBGD COC(=O)COCCNC(=O)NNc1nc(C)cc(C)n1 858835922 RNGMUZXMLQWHDE-UHFFFAOYSA-N 297.315 -0.091 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)N1 859352374 PRUUBXFSBBRFDE-MRVPVSSYSA-N 291.263 -0.545 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 862449792 JWSUZVATDQIFNN-MRVPVSSYSA-N 278.268 -0.870 50 20 CBGD CC1=C(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCCO1 862457192 CUJHMRYGWKQAEJ-VIFPVBQESA-N 267.285 -0.503 50 20 CBGD O=C1CC[C@H](C(=O)NN=Cc2cnn(CC(F)F)c2)N1 863150138 NTFPWCNYLBHROX-MRVPVSSYSA-N 285.254 -0.123 50 20 CBGD C[C@@H]1CC=C(C(=O)NNC(=O)CS(C)(=O)=O)CC1 863465474 FJOBRULPMHBFDJ-MRVPVSSYSA-N 274.342 -0.075 50 20 CBGD Cn1nncc1NNC(=O)[C@]1(C2CCCC2)CCNC1=O 863919782 BAHXWUWFXKEKDI-ZDUSSCGKSA-N 292.343 -0.045 50 20 CBGD CCn1ncc(C(=O)NNC(=O)N2CCOCC2)c1C 865047043 SSQGJLIOOIHFSR-UHFFFAOYSA-N 281.316 -0.102 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@]1(CC)CCNC1=O 867279032 PYUXEDLTTHDIRU-NSHDSACASA-N 256.306 -0.405 50 20 CBGD COCCn1cc(C(=O)NN(C)C(=O)OC)cn1 868241225 RGRCJXWPBDIJNW-UHFFFAOYSA-N 256.262 -0.128 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)CN1CCCC1 874371564 RFIVCUKPEQGCRQ-UHFFFAOYSA-N 262.313 -0.133 50 20 CBGD CS(=O)(=O)NCCNC(=O)NNC(=O)C1CCCC1 916294650 RQNBMJPBWRHYCQ-UHFFFAOYSA-N 292.361 -0.944 50 20 CBGD Cc1noc(C2CC2)c1C(=O)NNC(=O)C(=O)NC1CC1 1116676833 KPUGYLJBFUUZBT-UHFFFAOYSA-N 292.295 -0.100 50 20 CBGD Cc1ccncc1/C=C/C(=O)NNC(=O)CS(C)(=O)=O 1118954021 MSESIRQHFOVEQM-ONEGZZNKSA-N 297.336 -0.405 50 20 CBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)C(=O)Nc2ccccn2)CO1 1255491894 XMTHOOUJBHACOD-RKDXNWHRSA-N 292.295 -0.408 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cc(C)cc(CN)c1 1261434917 BQBAZRRDJMVZGM-UHFFFAOYSA-N 278.312 -0.050 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 1261792899 PMIFZXSXPMUGEC-YUMQZZPRSA-N 256.306 -0.359 50 20 CBGD O=C(CCc1nccs1)NNC(=O)C(=O)N1CCCC1 1318221195 OAHALYPDLLDKMP-UHFFFAOYSA-N 296.352 -0.155 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@@H]1CCC(=O)N1 1319035637 LVLCVCVEUFJVMI-VIFPVBQESA-N 262.269 -0.950 50 20 CBGD COC(=O)N(C)NC(=O)CCC[C@]1(C)NC(=O)NC1=O 1322015449 RCCDBRASKMVGCG-NSHDSACASA-N 286.288 -0.516 50 20 CBGD Nc1cnnc(NNC(=O)[C@H]2C[C@@H](N)C2)c1Cl 1326612425 UFTNTFLNCFXNME-SYDPRGILSA-N 256.697 -0.107 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)NC(C)C)cnc1F 1328711591 DUEPPKDCZQIUKR-UHFFFAOYSA-N 282.275 -0.185 50 20 CBGD Cn1ncc(C(=O)NNC(=O)OCC(F)(F)F)c1N 1329416936 OPXOPRYJFKYNRO-UHFFFAOYSA-N 281.194 -0.064 50 20 CBGD C[C@@H](NNC(=O)Cn1cnc(N)n1)C(F)(F)F 1329536287 UCJQZYDOLHJGHT-SCSAIBSYSA-N 252.200 -0.568 50 20 CBGD C[C@H](NNC(=O)CCn1cnnn1)C(F)(F)F 1333410215 REURWINMYVPHGD-YFKPBYRVSA-N 252.200 -0.365 50 20 CBGD CO[C@@H]1COCC[C@H]1CNC(=O)NNC(=O)c1cn[nH]c1 1334932605 DCDSEYQMXUQRBA-WCBMZHEXSA-N 297.315 -0.595 50 20 CBGD CCOc1cc(C(=O)NNc2nccn(C)c2=O)[nH]n1 1335409267 VHMFJTGHXZRFGU-UHFFFAOYSA-N 278.272 -0.341 50 20 CBGD NC(=O)NCCCCC(=O)NNC(=O)c1ccc[nH]1 1337084523 SHWZJFUXQMHWQA-UHFFFAOYSA-N 267.289 -0.386 50 20 CBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)OC)co1 1338022995 LXKSAMVYPZQVBW-UHFFFAOYSA-N 277.258 -0.812 50 20 CBGD O=C(CN1C(=O)CCC1=O)NNC(=O)c1cccc(F)n1 1347071147 DEQOGVSBORDAOF-UHFFFAOYSA-N 294.242 -0.869 50 20 CBGD O=S1(=O)N=C(N2CC[C@@H](B(O)O)C2)c2ccccc21 1348489737 BCLIZWAEOHTDIC-MRVPVSSYSA-N 280.114 -0.316 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(N)=O)c2ccccc2n1 1348968651 BJMPDVIDQYIVDV-UHFFFAOYSA-N 272.264 -0.210 50 20 CBGD COCCOc1cc(C(=O)NNc2cnnn2C)ccn1 1351214712 CZIBPVRJEBBMIO-UHFFFAOYSA-N 292.299 -0.008 50 20 CBGD CC[C@H]1NCC[C@@H]1C(=O)NNC(=O)c1ncon1 1577307242 ARXXKDAXUDIJSU-NKWVEPMBSA-N 253.262 -0.781 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CC[C@@H](CCC(=O)O)O1 1596340178 ADKDPPLQYXBXPV-VHSXEESVSA-N 274.317 -0.256 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C(=O)O)C1CCCC1 1603068137 GQXAEACUIJERQG-SECBINFHSA-N 299.327 -0.451 50 20 CBGD COC(=O)N(C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1604950013 VXRFIURPHVTPGY-UHFFFAOYSA-N 265.233 -0.462 50 20 CBGD O=C(CO)NNC(=O)[C@H]1COc2ccccc2C1 182758304 LPWUVMIOXZCATC-SECBINFHSA-N 250.254 -0.623 50 20 CBGD O=C(NNc1nc(-c2ccccc2)no1)[C@H]1C[C@H](O)CN1 238097036 LUXKKFDRKNCLHQ-VHSXEESVSA-N 289.295 -0.098 50 20 CBGD COC(=O)N(C)CCCC(=O)NNC(=O)N(C)C 264174035 KIZKIAKUFMUMCQ-UHFFFAOYSA-N 260.294 -0.233 50 20 CBGD CO/N=C/C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 289455902 XSYBUWYZBWBULF-IXZJQBKPSA-N 286.332 -0.735 50 20 CBGD COCCN1C[C@@H](C(=O)NNC(=O)c2ccc[nH]2)CC1=O 298356922 MPJDODWHGBHGHE-VIFPVBQESA-N 294.311 -0.729 50 20 CBGD COC(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 364041289 LDCXPRXXXOLIPL-SECBINFHSA-N 292.295 -0.183 50 20 CBGD COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCCCl 368833166 IGUDSTCPIVSMOL-BDAKNGLRSA-N 299.776 -0.057 50 20 CBGD CCN1CCO[C@@H](C(=O)NNc2nccnc2OC)C1 376935767 XLBNDSMXAYXWAQ-SECBINFHSA-N 281.316 -0.351 50 20 CBGD CCCCNC(=O)NNC(=O)CNC(=O)OCC 492278259 PUQJISFQPLYIIO-UHFFFAOYSA-N 260.294 -0.137 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1CCc2cncn2C1 584912545 SAAMBLNJOLYRBK-JTQLQIEISA-N 285.112 -0.236 50 20 CBGD CCCCN(C)CCNC(=O)c1cc(B(O)O)ccc1F 584944596 LTCTXHUOEVYOHY-UHFFFAOYSA-N 296.151 -0.033 50 20 CBGD C[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C[C@H]1O 584970543 PTZOZGBYOCCSOV-JOYOIKCWSA-N 263.102 -0.791 50 20 CBGD C[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H](C(N)=O)C1 584975316 VSTAUWLNYHZWPO-JOYOIKCWSA-N 290.128 -0.908 50 20 CBGD C=C[C@@H]1OCC[C@H]1NCc1ccc(B(O)O)cc1F 585043644 PXXPAWAKDYJSRP-OLZOCXBDSA-N 265.093 -0.061 50 20 CBGD Cn1ccc(S(=O)(=O)NNC(=O)NCc2ccco2)n1 727361681 HRVPDLFRCBUDME-UHFFFAOYSA-N 299.312 -0.294 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H](C)n1cncn1 729919758 CJZCMLCTDDFHAO-QMMMGPOBSA-N 270.293 -0.794 50 20 CBGD O=C(NNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ncccn1 743291355 RKAMAGQHORUHAR-UHFFFAOYSA-N 276.212 -0.212 50 20 CBGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C1CC1 748524022 FRZPUEXMCMKBCW-MRVPVSSYSA-N 277.284 -0.680 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 749599720 PJMXMBPWNQMBHD-SNVBAGLBSA-N 282.344 -0.063 50 20 CBGD CC[C@H](C)NC(=S)NNC(=O)C(=O)NC(C)C 749761676 HBQWEMMJWAADPI-ZETCQYMHSA-N 260.363 -0.195 50 20 CBGD COCC(C)(C)C=NNC(=O)[C@@H](C)NS(C)(=O)=O 754942458 DJUVWWRXOQLRHP-MRVPVSSYSA-N 279.362 -0.301 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cn(C)nc1C(F)F 755271023 KLRHYBISTJHMGQ-UHFFFAOYSA-N 275.259 -0.320 50 20 CBGD CCn1ccnc1C=NNC(=O)[C@H](C)NS(C)(=O)=O 755697779 HGZKNHUQGFTYAX-QMMMGPOBSA-N 287.345 -0.709 50 20 CBGD COc1ccc(NC(=O)NNC(=O)CO)c(Cl)n1 757690346 KYFUASBDMCNHJA-UHFFFAOYSA-N 274.664 -0.111 50 20 CBGD C#CCNC(=S)NNC(=O)Cn1nc(C)cc1C 758175483 MDAUCRXRELMWLO-UHFFFAOYSA-N 265.342 -0.372 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(O)(COC)CC1 759317198 VPBCAUCCMSIUCD-JTQLQIEISA-N 287.360 -0.594 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CNC(=O)C1CCCCC1 768256789 YPAKQZICRLZUBB-UHFFFAOYSA-N 285.344 -0.399 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cn1cc(C)cn1 772037404 CXNFLNMQFAIVTC-SECBINFHSA-N 282.300 -0.319 50 20 CBGD O=C(CO)NNC(=O)c1ccc(N2CCOCC2)cc1 777781504 WNPSNJDMCCAXOA-UHFFFAOYSA-N 279.296 -0.724 50 20 CBGD CNC(=O)COc1cccc(CC(=O)NN(C)C(N)=O)c1 778415054 MIGNAJMJASGXHC-UHFFFAOYSA-N 294.311 -0.604 50 20 CBGD CCn1cc(CC(=O)NNC(=O)C(=O)N2CCCC2)cn1 780527012 LAVWBEIMVNWILW-UHFFFAOYSA-N 293.327 -0.785 50 20 CBGD CN1CC[C@@H](NC(=O)NNc2ncncc2Cl)C1=O 780990678 FMBNDSPQTZMFTQ-SSDOTTSWSA-N 284.707 -0.013 50 20 CBGD COC[C@H](CNC(=O)NNC(=O)CC(F)(F)F)OC 781396182 JRNCODBAXXXVFT-LURJTMIESA-N 287.238 -0.069 50 20 CBGD O=C1C[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2)CCN1 802036576 VZLBAIPTLLQPRP-QMMMGPOBSA-N 277.284 -0.818 50 20 CBGD COC[C@H](C)[C@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 812489966 LXYFQZIQOIHGSX-UWVGGRQHSA-N 285.344 -0.325 50 20 CBGD C[C@H](C(=O)NNC(=O)Cc1ccncc1)N(C)C 820548776 ARMFGBGKULHYOZ-SECBINFHSA-N 250.302 -0.278 50 20 CBGD CCC1(Cn2cc(C(=O)NN(C)[C@@H](C)CO)nn2)COC1 823917808 NWQFCKMAHXNUCL-JTQLQIEISA-N 297.359 -0.338 50 20 CBGD C=C[C@@](C)(O)C(=O)NNC(=O)CNC(=O)c1ccco1 825267911 ZKKFZKJOLVEOAB-GFCCVEGCSA-N 281.268 -0.906 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NC1CCN(C)CC1 825573617 DHYAASOISVUMDJ-KOLCDFICSA-N 284.360 -0.164 50 20 CBGD O=C(O)[C@@H](NNC(=O)[C@H]1COCCO1)c1ccccc1F 833149546 UBZHNUWUZWQZEI-MNOVXSKESA-N 298.270 -0.012 50 20 CBGD CSCC[C@H](O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843980321 SUESWIRRQJWYNR-CIUDSAMLSA-N 276.358 -0.327 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1nccnc1N 843980793 WQEBCVQUYLZNRX-RNFRBKRXSA-N 265.273 -0.755 50 20 CBGD COCCCNC(=O)NNC(=O)Cc1nonc1C 845297626 CHFFPFIKYQWVQL-UHFFFAOYSA-N 271.277 -0.713 50 20 CBGD CO[C@H](CC(=O)NNC(=O)CN(C)C)C(F)(F)F 846633176 IMVQYOVXLARKEJ-ZCFIWIBFSA-N 271.239 -0.337 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H](C)Cc1cnc[nH]1 847392666 AEHDWLIFGNNLFP-VIFPVBQESA-N 283.332 -0.045 50 20 CBGD O=C(NNS(=O)(=O)N1CCCC1)c1cccc(F)n1 853051095 GKHOFEMTIJOGBK-UHFFFAOYSA-N 288.304 -0.204 50 20 CBGD CO[C@](C)(C(=O)NNC(C)=O)C(=O)OC(C)(C)C 854155116 FZPUBINAYSBVIJ-LLVKDONJSA-N 260.290 -0.100 50 20 CBGD C[C@@H](C(=O)NNC(=S)NCC1CCC1)S(C)(=O)=O 855092294 YKNMEODWUDLQIL-ZETCQYMHSA-N 293.414 -0.285 50 20 CBGD COC(=O)N(C)CCCC(=O)NNc1cnnn1C 857271572 QPGBCHQVBUCQBV-UHFFFAOYSA-N 270.293 -0.263 50 20 CBGD CO[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858346720 QTWGTMYSCFNTQB-OPRDCNLKSA-N 298.343 -0.590 50 20 CBGD CC1(C)CC[C@H]1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858456288 FKVZDDIJXSOZHQ-HTQZYQBOSA-N 268.317 -0.216 50 20 CBGD C=CC(=O)N(C)CC(=O)NNC(=O)[C@H]1CCCCO1 861852740 KEUYPOSSUGUNLQ-SECBINFHSA-N 269.301 -0.653 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc3c(c2)COC3)N1 862455064 YUWCBGKVOBBKQS-NSHDSACASA-N 289.291 -0.244 50 20 CBGD CC(C)(C)[S@@](=O)CCNC(=O)c1ccc(B(O)O)cc1 863873088 WMHBISVFYBNLRE-FQEVSTJZSA-N 297.185 -0.357 50 20 CBGD O=C(NCCOC1CCC1)c1cccc(B(O)O)c1 863873956 LVOXRDARYVJFPM-UHFFFAOYSA-N 263.102 -0.335 50 20 CBGD O=C(NCCOCCF)c1ccc(B(O)O)cc1 863886344 ZCXCOYHLZMZACS-UHFFFAOYSA-N 255.054 -0.918 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@@H]2CC[C@H](C1)N2 866679734 XAERGJHSKNMCPW-BBBLOLIVSA-N 254.334 -0.632 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)N2CCCNC(=O)C2)cn1 874858511 AKKKVKONEPOVJP-WZUFQYTHSA-N 273.296 -0.324 50 20 CBGD C[C@@H](O)CN(C)NC(=O)Cc1nnn(C(C)(C)C)n1 910140530 JGIHJMJXHNGPCB-MRVPVSSYSA-N 270.337 -0.686 50 20 CBGD COCC(=O)N[C@H](C(=O)NN(C)C[C@H](C)O)C(C)C 910163533 QUPPBOXHPHIFLW-ONGXEEELSA-N 275.349 -0.883 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CSc1nncs1 910168766 QQTIVKAUMQAKRG-ZCFIWIBFSA-N 262.360 -0.026 50 20 CBGD CC1(C)C[C@](C)(NCC(=O)NNC(=O)C2CC2)C(=O)O1 930876162 PQGPECBHYIRTHE-ZDUSSCGKSA-N 283.328 -0.382 50 20 CBGD CC[C@@H](F)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1262579689 WZCINFMGGYOZDT-NKWVEPMBSA-N 266.294 -0.683 50 20 CBGD O=C(NN=Cc1ccc(O)c(O)c1O)C(=O)NC1CC1 1317713329 OBFRYHQHILKEFA-UHFFFAOYSA-N 279.252 -0.468 50 20 CBGD COc1coc(C(=O)NNC(=O)C(C)(C)O)cc1=O 1326998118 XQBLLMCOHANTAY-UHFFFAOYSA-N 270.241 -0.820 50 20 CBGD C[C@H]1CC[C@@H](C(=O)O)CN1CC(=O)NNC(=O)C1CC1 1329419560 DLNYJRQSOQCGKV-WCBMZHEXSA-N 283.328 -0.271 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H]1CO 1339895651 SMCNUAWBZIKUDX-SNVBAGLBSA-N 264.285 -0.569 50 20 CBGD Cn1cc(C(=O)NNC(=O)NOCC(F)(F)F)cn1 1340540294 KYCQVRUJBJJAIE-UHFFFAOYSA-N 281.194 -0.142 50 20 CBGD CCC(=O)N1CCC[C@H](C(=O)NNc2cnnn2C)C1 1343974398 MWPHTIJSAQPABC-VIFPVBQESA-N 280.332 -0.093 50 20 CBGD Cc1cccc(NC(=S)NNC(=O)[C@H](N)CO)c1 1574165413 HTRGUXVZESLUKT-SECBINFHSA-N 268.342 -0.368 50 20 CBGD NCCNC(=O)NNC(=O)c1cc(Cl)cc(F)c1N 1580312071 BCWGRCIVUZOUPW-UHFFFAOYSA-N 289.698 -0.036 50 20 CBGD COc1ccccc1OCC(=O)NNC(=O)[C@@H](C)C(=O)O 1594146104 PUUNXKSQBAFURR-MRVPVSSYSA-N 296.279 -0.058 50 20 CBGD Cn1nncc1NNC(=O)[C@]1(C(=O)O)CC1(C)C 1594598521 SPFFQGRKICXNTB-JTQLQIEISA-N 253.262 -0.241 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(C(=O)O)no1 1594646522 YHMZWLSELNSRPB-NTSWFWBYSA-N 283.240 -0.441 50 20 CBGD O=C(O)c1cc(C(=O)NNC(=O)C2CCC2)[nH]n1 1594783292 YTCVHMDCUVXFLV-UHFFFAOYSA-N 252.230 -0.331 50 20 CBGD CC[C@@H](C)C[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)O 1594947148 ZZNNWIVHCAEUMU-SKDRFNHKSA-N 293.128 -0.014 50 20 CBGD O=C(NC[C@@H]1C[C@H]2CCC[C@H]2O1)NNC(=O)C(=O)O 1601478884 NBEAROIDXSMKPF-GJMOJQLCSA-N 271.273 -0.641 50 20 CBGD CCC[C@H](CNC(=O)NNC(=O)C(=O)O)OCC 1605214053 GCJIVGYRZPGYOR-SSDOTTSWSA-N 261.278 -0.393 50 20 CBGD Cn1nc(C(=O)O)cc1C=NNC(=O)C[N+](C)(C)C 1776011877 WLAYFQSXSJLJGH-UHFFFAOYSA-O 268.297 -0.725 50 20 CBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(O)O)[C@H](F)Cl 1792899485 NLHHOQJSQVWPPT-YWIQKCBGSA-N 294.710 -0.530 50 20 CBGD O=C1NC(=O)C(=NNC(=O)c2ccccc2)C(=O)N1 8516187 UMFMHQJTKAATFY-UHFFFAOYSA-N 260.209 -0.862 50 20 CBGD CN(C)CC(=O)NNC(=O)CNC(=O)c1cccc(F)c1 113425714 UJMMUMVXFIRIHS-UHFFFAOYSA-N 296.302 -0.736 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccc3c(c2)nnn3C)cn1 117681698 KWHMIXIQSSMXLT-UHFFFAOYSA-N 299.294 -0.223 50 20 CBGD CC(C)N(C)CC(=O)NNc1ccc(C(N)=O)nn1 154373934 BRRJQYSHRYKEII-UHFFFAOYSA-N 266.305 -0.641 50 20 CBGD C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)CN(C)C 263917617 PQFQOQJZXIJJSI-RNCFNFMXSA-N 293.323 -0.076 50 20 CBGD CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)NC1CC1 285038700 IXTSNPHTFNGRDA-JTQLQIEISA-N 268.317 -0.120 50 20 CBGD CC(C)[C@H](O)C(=O)NNC(=O)CNC(=O)c1ccco1 291580486 UQYQGYABSJEIDR-JTQLQIEISA-N 283.284 -0.826 50 20 CBGD COCCN1CC[C@@H](NC(=O)NNc2ncncc2F)C1 292824518 XGZPLCKSMJSWPQ-SECBINFHSA-N 298.322 -0.038 50 20 CBGD O=C(Cn1cc(Cl)cn1)NNC(=O)[C@@H]1CCCO1 294626278 LBJYPVDOYNHQHP-QMMMGPOBSA-N 272.692 -0.137 50 20 CBGD N#CC1(NC(=O)COc2ccc(B(O)O)cc2)CCCC1 584909137 GKHHELZCNZBZOK-UHFFFAOYSA-N 288.112 -0.302 50 20 CBGD C[C@H](O)C[C@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 584965584 QBIIQXHISCMSQC-GXFFZTMASA-N 277.129 -0.258 50 20 CBGD CO[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C[C@H]1C 584998298 PBQTVGZVNGDBPW-MFKMUULPSA-N 277.129 -0.137 50 20 CBGD CC(C)(C)NC(=O)CNCc1ccccc1B(O)O 585018523 XJPNLZRFDIUBRX-UHFFFAOYSA-N 264.134 -0.629 50 20 CBGD C[C@H](Cn1ccnc1)NCc1ccccc1B(O)O 585018552 YHTJOQMIYRPWIM-LLVKDONJSA-N 259.118 -0.259 50 20 CBGD O=C1[C@@H](NCc2ccccc2B(O)O)C[C@@H]2CCCCN12 585044271 DHLVNVFVMLAEDG-JSGCOSHPSA-N 288.156 -0.391 50 20 CBGD CCN1C[C@H](CNCc2ccccc2B(O)O)CC1=O 585046203 SSYRKCCNGKVHNP-NSHDSACASA-N 276.145 -0.676 50 20 CBGD O=C(NCB(O)O)C(=O)Nc1ccc(Cl)cc1 585057416 DHELVKNXOIFDIW-UHFFFAOYSA-N 256.454 -0.593 50 20 CBGD C[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](B(O)O)C2)C1 585066531 PQEKCDREHXNAAQ-UWVGGRQHSA-N 268.122 -0.680 50 20 CBGD CNC(=O)c1ccc(C(=O)NNC(=O)C(C)C)cn1 728511856 DOZNQVJWXAUACE-UHFFFAOYSA-N 264.285 -0.142 50 20 CBGD CC(C)N(C)CC(=O)NNc1nccn(C)c1=O 747943491 ZCYXHUJNWVVNHK-UHFFFAOYSA-N 253.306 -0.436 50 20 CBGD CNC(=O)NCC(=O)NNc1ccc([N+](=O)[O-])cc1 761996712 NQKLFJLEHXGLJK-UHFFFAOYSA-N 267.245 -0.033 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@](F)(C#N)C1 786438582 VBUWINCSTWKIBY-LDYMZIIASA-N 256.281 -0.130 50 20 CBGD COc1cccc(C2=NO[C@@H](C(=O)NNC(=O)CO)C2)c1 792659178 ZOWCUFXZXWCPSA-LLVKDONJSA-N 293.279 -0.672 50 20 CBGD COCCO[C@H](C)C(=O)NN=Cc1cn(C)cn1 794519473 LTVLMSXLWIAQPE-SECBINFHSA-N 254.290 -0.078 50 20 CBGD CN(C)CC(=O)NN=Cc1ccc(S(N)(=O)=O)cc1 811641091 NBZKBWRTSQZHGO-UHFFFAOYSA-N 284.341 -0.654 50 20 CBGD COc1nccnc1NNC(=O)C(C)(C)S(C)(=O)=O 816971261 YHKANEFPXMWDTI-UHFFFAOYSA-N 288.329 -0.249 50 20 CBGD O=C(NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC1CC1 823277547 PONNMVROFCHDCX-UHFFFAOYSA-N 276.260 -0.699 50 20 CBGD C[C@H](CO)N(C)NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 823917510 JFKCZSHADWSSBZ-MXWKQRLJSA-N 295.339 -0.719 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H]1CCCc2nn[nH]c21 823951477 QSLRKHANKDHJCS-SSDOTTSWSA-N 266.305 -0.035 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CC[C@H](C(N)=O)C1 826935290 YBIROTFZZPIUPG-UTINFBMNSA-N 298.343 -0.604 50 20 CBGD CCOCC(=O)NNC(=O)NCCCCCCN 831263139 CLYBCYXHHIIHOG-UHFFFAOYSA-N 260.338 -0.128 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ncccc1O 843970696 JOLVHWLQHUNCJD-HTQZYQBOSA-N 265.269 -0.027 50 20 CBGD CN(C)CC(=O)NN=C1CS(=O)(=O)Cc2ccccc21 853302012 UEWLVJQVGWWJEI-UHFFFAOYSA-N 295.364 -0.003 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cnc[nH]1 853303431 NHPMXHPUMLFBJG-ZETCQYMHSA-N 273.318 -0.812 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccnn1C(F)F 857105762 RLWIJMRSZJOUPA-UHFFFAOYSA-N 261.232 -0.399 50 20 CBGD CNS(=O)(=O)CC(=O)NC[C@@]1(C)C[C@@H]1Br 857735112 XKEXOCCWDYQRTR-POYBYMJQSA-N 299.190 -0.175 50 20 CBGD CCn1ccc(CC(=O)NNC(=O)c2cn[nH]c2)n1 862470090 ZOQSGVQGURHFFW-UHFFFAOYSA-N 262.273 -0.370 50 20 CBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1csc(N)n1 863146533 WVOPOIGAEJBRFK-LURJTMIESA-N 267.314 -0.156 50 20 CBGD C[C@@H](NNC(=O)c1ccc(B(O)O)cc1)C(F)(F)F 863887087 CQWVPFIEVLXCKF-ZCFIWIBFSA-N 276.023 -0.448 50 20 CBGD COCCOCC(=O)NNC(=O)CC[C@@H]1CCCO1 869910882 NTLFLYNFHRNMBO-JTQLQIEISA-N 274.317 -0.244 50 20 CBGD CC(=O)NNC(=O)CCN1CCN(C(C)C)CC1 899927963 XUXXVTQSQJXYFC-UHFFFAOYSA-N 256.350 -0.430 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)Cn2cnnn2)cc1 901380993 IGNUXIBMNOHMOV-UHFFFAOYSA-N 290.283 -0.792 50 20 CBGD COCCN(C)NC(=O)[C@H]1CCc2nncn2C1 1118322744 OVNAPHWBSOQRBU-VIFPVBQESA-N 253.306 -0.550 50 20 CBGD CCc1nocc1C(=O)NNC(=O)C(=O)NC1CC1 1118962969 PFNWWNOBWSQFMJ-UHFFFAOYSA-N 266.257 -0.723 50 20 CBGD O=C(NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)C1CCOCC1 1120077848 KNCVWUIJDDIFSQ-DVVUODLYSA-N 266.297 -0.215 50 20 CBGD O=C(NNc1cccnn1)N[C@H]1CCS(=O)(=O)C1 1251981758 BOXAEVLNVTZLIK-ZETCQYMHSA-N 271.302 -0.710 50 20 CBGD Nc1cnnc(NNC(=O)CCn2ccnn2)c1Cl 1255565311 WSFLLUQPFYTUFH-UHFFFAOYSA-N 282.695 -0.163 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=S)Nc2ccccn2)N1 1261916298 ONDTYYJWXLHTCD-SSDOTTSWSA-N 279.325 -0.322 50 20 CBGD O=C(CNS(=O)(=O)c1ccccc1)NNC(=O)C1CC1 1317716089 MJQPEWCTKIBASB-UHFFFAOYSA-N 297.336 -0.478 50 20 CBGD COc1ccnc(NNC(=O)c2ccc(C(N)=O)nc2)n1 1318027084 VQPMJWVSGVJEAX-UHFFFAOYSA-N 288.267 -0.264 50 20 CBGD CNC(=O)NNC(=O)c1ccc(N2CCCC2)nn1 1318327400 MPLXTRAIELZVQU-UHFFFAOYSA-N 264.289 -0.349 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)/C=C\C1CCOCC1 1318530807 LCXKVOBDVNBSEY-ARJAWSKDSA-N 283.328 -0.359 50 20 CBGD Cn1cc(CC(=O)NNC(=O)Cc2ccncc2)cn1 1319026879 BXMKQOYWFQTSTE-UHFFFAOYSA-N 273.296 -0.252 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCc1ccco1 1319300517 XMLBDMDPCKCLSX-UHFFFAOYSA-N 255.230 -0.675 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CCCn1ccnc1 1322502274 CXRBVDDTQBOEBF-UHFFFAOYSA-N 281.316 -0.665 50 20 CBGD C=C[C@](C)(O)CC(=O)NNc1nnc(C)c(O)n1 1323878880 HVIPESAOLGCAGF-JTQLQIEISA-N 253.262 -0.344 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc[n+]([O-])cc1 1324103870 XYQJVAMDPNDYDC-MRVPVSSYSA-N 281.268 -0.577 50 20 CBGD O=C(O)CCCNC(=O)NNC(=O)N=c1cc[nH]cc1 1328191111 ZVGPVWSZZDSGKL-UHFFFAOYSA-N 281.272 -0.296 50 20 CBGD O=C(NNC(=O)N1CC[C@@]2(CCOC2)C1)c1cccnn1 1331955183 JYBYPPZYNYJLTO-CYBMUJFWSA-N 291.311 -0.057 50 20 CBGD Cc1c(CNC(=O)NNC(=O)c2cnn(C)c2)cnn1C 1335904312 FJZKLSIWMPYSLA-UHFFFAOYSA-N 291.315 -0.394 50 20 CBGD C[C@@]1(CNC(=O)Cn2nnc(N)n2)C[C@@H]1Br 1337299643 MQYDMVODTVRULP-XNCJUZBTSA-N 289.137 -0.455 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1ccn(CC(F)F)n1 1337961654 TZZIYRVYCZIVJR-UHFFFAOYSA-N 289.242 -0.356 50 20 CBGD O=C(NC/C=C/Cl)NNC(=O)C(=O)NC1CC1 1343350932 ZYASJMCFLLLXMS-DAFODLJHSA-N 260.681 -0.652 50 20 CBGD COCCCNC(=S)N(C)NC(=O)c1ncn(C)n1 1347298840 SKDDHKBEQCYUCR-UHFFFAOYSA-N 286.361 -0.697 50 20 CBGD C=C(CCC(=O)O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 1588630049 BZJQBCQJNPYCDL-IUCAKERBSA-N 270.285 -0.020 50 20 CBGD CCCNC(=O)NNC(=O)c1ccnc(-c2nn[nH]n2)c1 1590638584 RMFMQKFKSNFBNY-UHFFFAOYSA-N 290.287 -0.384 50 20 CBGD CCO/C=C(/C#N)C(=O)N(CC(=O)O)CC(=O)OC 1596865083 ZYRZFFHBCJFMIW-FPLPWBNLSA-N 270.241 -0.483 50 20 CBGD C[C@@H](C(=O)O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 1602804791 LSYSEWVWLPQGPW-XCBNKYQSSA-N 294.263 -0.306 50 20 CBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1 1610714680 YJABYMPFOLDILE-UHFFFAOYSA-N 285.643 -0.490 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 72553128 GIFMQOUKZPCUAN-UHFFFAOYSA-N 266.257 -0.083 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)c2cccc(C#N)c2)CC1 106024048 AEZSXLUIXHDGNB-UHFFFAOYSA-N 286.291 -0.155 50 20 CBGD CCN(CC(=O)NNC(=O)C(=O)N1CCCC1)C1CC1 151875536 JEGGABXQKKTFEA-UHFFFAOYSA-N 282.344 -0.760 50 20 CBGD CC(C)[C@H](C(=O)NN(C)C(N)=O)N1CCCC1=O 181078852 IBNXUAUSIRTDJK-SECBINFHSA-N 256.306 -0.325 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cnn(-c2ccccc2)n1 190074145 HBFOKZJMEXQUES-UHFFFAOYSA-N 289.295 -0.201 50 20 CBGD CC1=C(C(=O)NN(C)C(N)=O)[C@@H](C)n2ncnc2N1C 192569998 FBGOAVDZYPTQOK-SSDOTTSWSA-N 279.304 -0.395 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCCO1 265860123 GHHXZNXNTIEYOT-SECBINFHSA-N 271.317 -0.382 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCCn1cccc1 267721108 BEPIMYQELWBPHQ-LLVKDONJSA-N 298.343 -0.130 50 20 CBGD CC(C)OCCNC(=O)NNC(=O)C(=O)N1CCCC1 273584690 QHLXSMVAZQPLBT-UHFFFAOYSA-N 286.332 -0.636 50 20 CBGD Cc1n[nH]c(SCC(=O)NNC(=O)C(C)(C)O)n1 277916397 IJFYWKVJYDKFFB-UHFFFAOYSA-N 273.318 -0.876 50 20 CBGD O=C(CC1CC1)NNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 294173267 NWEFLXJLGYWOKQ-UHFFFAOYSA-N 275.268 -0.188 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H](CO)C1 584931400 STSAFLCHKPPSFL-SNVBAGLBSA-N 263.102 -0.789 50 20 CBGD CC(C)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)C1 584939376 LMXNHQDOCHVFTK-GFCCVEGCSA-N 290.172 -0.174 50 20 CBGD CN(C)[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)CC1 584982596 LRODIFGMPDQJPD-CQSZACIVSA-N 290.172 -0.077 50 20 CBGD C[C@@H]1CC[C@@H](CNC(=O)c2cc(B(O)O)ccc2F)O1 584998972 UIRJNULIEVIOLS-SCZZXKLOSA-N 281.092 -0.197 50 20 CBGD OB(O)c1ccc(CNCc2nnc3n2CCC3)cc1 585018543 YATYCAFLAAQNPY-UHFFFAOYSA-N 272.117 -0.806 50 20 CBGD CO[C@@H]1COCC[C@H]1CNCc1ccc(B(O)O)cc1 585044116 YYEHCTULXMQLBM-GXTWGEPZSA-N 279.145 -0.493 50 20 CBGD CC(=O)NNC(=O)c1nn(C)cc1Br 606296357 YKJUOMLIWDNRGU-UHFFFAOYSA-N 261.079 -0.037 50 20 CBGD CCS(=O)(=O)NCCCNC(=O)NNC(=O)C(C)C 728958790 SMBUILQLARGWSK-UHFFFAOYSA-N 294.377 -0.698 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc2nncn2c1 731853280 YBJHGXIWPAJFJS-UHFFFAOYSA-N 285.267 -0.164 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NN=C1CCOC1 731925205 SNGRSRHJWFLKKH-SNVBAGLBSA-N 255.318 -0.153 50 20 CBGD COc1ccc(C(=O)NNC(=O)c2ccncc2)nn1 737762951 FBASQMZOPHWIMF-UHFFFAOYSA-N 273.252 -0.045 50 20 CBGD C[C@@H](O)C[C@@H]1CCCN1CC(=O)NNC(=O)C1CC1 752142188 LCEZHACOZIGKPM-KOLCDFICSA-N 269.345 -0.221 50 20 CBGD CC(C)(NS(C)(=O)=O)C(=O)NNc1ncc(F)cn1 760912021 LYTMSBSPEASWJW-UHFFFAOYSA-N 291.308 -0.613 50 20 CBGD COCC(=O)N[C@H](C(=O)NNc1ncc(F)cn1)C(C)C 760914930 ZDKHTWNQOLROKY-JTQLQIEISA-N 299.306 -0.154 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCCn1ccccc1=O 768246740 KZFXSGDVRGTJPJ-UHFFFAOYSA-N 281.312 -0.453 50 20 CBGD CSCCNC(=S)NNC(=O)c1n[nH]c(C)c1O 770245515 GCAYWHGUJBYKDY-UHFFFAOYSA-N 289.386 -0.104 50 20 CBGD CO[C@@H](C(=O)NNC(=O)N1CCOCC1)C(C)C 771286894 IJSYRVVLMVGCQZ-SECBINFHSA-N 259.306 -0.270 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)c1cccn1C 771605572 INHOHPPROUGPPY-VIFPVBQESA-N 264.285 -0.593 50 20 CBGD Cc1cc(CC(=O)NNC(=O)N2CCN(C)CC2)no1 773658272 LTUNGEXUZDMQHF-UHFFFAOYSA-N 281.316 -0.486 50 20 CBGD COC1CCC(C(=O)NNC(=O)C(=O)N2CCCC2)CC1 780527025 LOKXJJDQABQKKH-UHFFFAOYSA-N 297.355 -0.039 50 20 CBGD O=C(CN(CCO)C1CCC1)NNC(=O)C1CC1 784393637 NHIKOLOFXHEIHL-UHFFFAOYSA-N 255.318 -0.609 50 20 CBGD CCCS(=O)(=O)CC(=O)NN(C)CCOC 808073518 GXILQEDYBMFABN-UHFFFAOYSA-N 252.336 -0.579 50 20 CBGD COCCN(C)NC(=O)[C@H]1CCCCS1(=O)=O 808073779 QNUSDPBYDFLYEZ-SECBINFHSA-N 264.347 -0.437 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCc2cncn2C1 821218287 XHXPUSZJIKBGRN-NXEZZACHSA-N 252.318 -0.211 50 20 CBGD CN1CCCC[C@H](C(=O)NNC(=O)[C@@H]2CCCCO2)C1=O 823237117 MSWNFYOLOQBELF-MNOVXSKESA-N 297.355 -0.039 50 20 CBGD CO[C@@H]1CN([C@H](C)C(=O)NNC(=O)CC(C)C)C[C@H]1O 832008262 YXCPSKKTDCSNQD-GMTAPVOTSA-N 287.360 -0.740 50 20 CBGD O=C(CCc1ccccc1)NNC(=O)[C@]1(O)CCOC1 840304160 JMSWIBHCTTYNLK-AWEZNQCLSA-N 278.308 -0.082 50 20 CBGD NCC(F)(F)CNC(=O)NNC(=O)[C@H]1CCCCO1 841970848 HHWJHORDGBBKLT-SSDOTTSWSA-N 280.275 -0.520 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CNC(=O)C1CC1 843973145 JYACIFODFADUIO-IONNQARKSA-N 269.301 -0.915 50 20 CBGD O=C(NNc1ncccn1)[C@H]1CCc2nnnn2CC1 845164513 ZTHUSWOWFDAJRJ-QMMMGPOBSA-N 274.288 -0.441 50 20 CBGD NC[C@]12CCC[C@H]1CN(CC(=O)NNC(=O)C1CC1)C2 846224405 LYBHDPWGIWRSNW-FZMZJTMJSA-N 280.372 -0.395 50 20 CBGD CNCC(=O)NNc1ncc(Br)cn1 848436316 NDOGSOYDAGDBFM-UHFFFAOYSA-N 260.095 -0.098 50 20 CBGD O=C(CN1c2ccccc2C[C@@H]1CO)NNC(=O)C1CC1 852403719 WDNBJJAYKFFDQS-GFCCVEGCSA-N 289.335 -0.033 50 20 CBGD CCOc1cc(C(=O)NNC(=O)N2CCN(C)CC2)on1 854382335 BCOHMUGQDUIWNS-UHFFFAOYSA-N 297.315 -0.325 50 20 CBGD NC(=O)N1CCC[C@H]1C(=O)NNC(=S)NCC1CCC1 855090139 AJHMDMHTGYDCNF-VIFPVBQESA-N 299.400 -0.175 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](C)[C@@H](CO)C1 856795204 CDJGNLBQVUKHNP-GARJFASQSA-N 271.361 -0.117 50 20 CBGD CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NNC(=O)CO)C1 857169288 GRIDSRYPLCWYFQ-ZKCHVHJHSA-N 287.316 -0.571 50 20 CBGD Cc1ncc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 860599063 VSQVXRIANOYJQA-QMMMGPOBSA-N 278.272 -0.784 50 20 CBGD CCc1cccnc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862457509 KZGKIZDXHPJCAB-SECBINFHSA-N 276.296 -0.316 50 20 CBGD CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)COCCOC 869908260 YTQLSTWHGLOXLM-JTQLQIEISA-N 289.376 -0.037 50 20 CBGD COCCOCC(=O)NN=Cc1cnn2cccnc12 872401838 KWBVZLOCJJWOIZ-UHFFFAOYSA-N 277.284 -0.158 50 20 CBGD CN1CCO[C@H](C(=O)NNc2ccc(F)cn2)C1 874650392 XWYUGFAJYWJNSS-VIFPVBQESA-N 254.265 -0.006 50 20 CBGD O=C(Cn1nc2ccccn2c1=O)NNC(=O)C1CC1 886552939 ZBWHQBRJXBAUSX-UHFFFAOYSA-N 275.268 -0.947 50 20 CBGD CO[C@]1(C(=O)NNC(=O)N2CCOCC2)CCSC1 900426971 PJRHVGRQKGHQOF-LLVKDONJSA-N 289.357 -0.419 50 20 CBGD C[C@H](O)CN(C)NC(=O)CN(C)[C@@H]1CCSC1 910160497 JACSAXSGTCKVOX-VHSXEESVSA-N 261.391 -0.233 50 20 CBGD Cc1cc(CC(=O)NN=C2CCS(=O)(=O)C2)n[nH]1 912809244 VBGAWMZYSFPORM-UHFFFAOYSA-N 270.314 -0.449 50 20 CBGD CCCSCC(=O)NNC(=O)CN1CCCC1=O 920432432 AAHRYZVMKWCVFB-UHFFFAOYSA-N 273.358 -0.101 50 20 CBGD CC(C)OCC(=O)NNC(=O)CN1CCCC1=O 920432957 LSMWCOVRUVHHBY-UHFFFAOYSA-N 257.290 -0.819 50 20 CBGD Cn1cnc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1116874286 VKXXIBDUXPQRSU-MRVPVSSYSA-N 285.329 -0.760 50 20 CBGD C[C@@H](C#N)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1117678919 JNMAIXBRGGGABI-IUCAKERBSA-N 259.331 -0.362 50 20 CBGD O=C(CCCN1C(=O)CNC1=O)NNC(=O)c1ccc[nH]1 1317798231 GJSWGENKIGNUIZ-UHFFFAOYSA-N 293.283 -0.892 50 20 CBGD O=C(CO[C@@H]1CCOC1)NNC(=O)c1ccccc1O 1323511645 ONYWFEWPVYSURL-SECBINFHSA-N 280.280 -0.041 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 1325775877 IJPROZAWRWCVEP-UHFFFAOYSA-N 283.309 -0.698 50 20 CBGD C[C@H](NC(=O)c1ccoc1)C(=O)NNc1cnnn1C 1326341599 DCWGXWULIHEDPR-ZETCQYMHSA-N 278.272 -0.330 50 20 CBGD Cc1cc(S(N)(=O)=O)oc1C(=O)NNC(=O)C1CC1 1327746194 ZJIGTIAHVVZPIS-UHFFFAOYSA-N 287.297 -0.594 50 20 CBGD CNC(=O)NNC(=O)C1CCN(C(=O)OC)CC1 1328726720 ATGIYRWYGAQGSI-UHFFFAOYSA-N 258.278 -0.575 50 20 CBGD OB(O)[C@@H]1CCN(Cc2cn(Cc3cccnc3)nn2)C1 1330262788 TYQVUCHYTISQHM-GFCCVEGCSA-N 287.132 -0.230 50 20 CBGD CN1CCC[C@@H](NC(=O)NNC(=O)C2CCOCC2)C1=O 1330829649 ASXGBOSJENMMIA-SNVBAGLBSA-N 298.343 -0.636 50 20 CBGD O=C(O)[C@@H](CC1CC1)NCc1ccc(B(O)O)cc1 1331932967 VGORDTBWPHUTMF-GFCCVEGCSA-N 263.102 -0.291 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCn1cncn1 1332068670 HBUWTNNDQUERLL-DTWKUNHWSA-N 282.304 -0.967 50 20 CBGD COCC(=O)NCCC(=O)NNC(=O)CC(F)(F)F 1334459707 VLFZYBJWNVQPTE-UHFFFAOYSA-N 285.222 -0.761 50 20 CBGD COc1ccccc1NC(=O)C(=O)NNC(C)=O 1342590313 GSQPXCGEWCRVTG-UHFFFAOYSA-N 251.242 -0.199 50 20 CBGD Cn1ncc(Cl)c1C(=O)N1CC[C@@H](B(O)O)C1 1348490892 WTFMCBSUGSIPTF-ZCFIWIBFSA-N 257.486 -0.238 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@]2(C)C[C@@H](O)CN2)o1 1574148964 DPOBMPNYDPTXSD-PELKAZGASA-N 267.285 -0.538 50 20 CBGD C[C@@]1(C(=O)NNc2nncc(N)c2Cl)CNCCO1 1576350174 LYDZBAVLPMTFDK-JTQLQIEISA-N 286.723 -0.466 50 20 CBGD CN(C)c1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)CN)cc1 1578426702 CLVBVUIAYTVAKJ-NWDGAFQWSA-N 276.340 -0.038 50 20 CBGD O=C(/C=C/[C@@H]1CCOC1)NNC(=O)NC1CCNCC1 1580493923 NOLSRJVEOZYDSL-TXXBHVLJSA-N 282.344 -0.339 50 20 CBGD C[C@]1(C(=O)NNC(=O)N[C@H]2C[C@H](C(=O)O)C2)CCCO1 1593755427 RBJUZBSOIFACPL-DNSOKLHBSA-N 285.300 -0.251 50 20 CBGD C[C@H]1CC(=NNC(=O)NCC(=O)O)c2nccn21 1594197380 RCEKFOJJSWZDGG-LURJTMIESA-N 251.246 -0.064 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)c1ccc(C(=O)O)nc1 1601555906 ROECYWBBUNBABA-UHFFFAOYSA-N 275.224 -0.422 50 20 CBGD O=C(O)COc1ccc(NC(=O)NNC(=O)CCO)cc1 1602087454 XWTNSAUFRDOUGU-UHFFFAOYSA-N 297.267 -0.315 50 20 CBGD O=C(NNC(=O)c1ccc(C(=O)O)[nH]1)c1cc[nH]n1 1602323771 ZIHVYXAREYJRBR-UHFFFAOYSA-N 263.213 -0.489 50 20 CBGD O=C(NCC[C@@H]1CCC2(CCC2)O1)NNC(=O)C(=O)O 1608441183 VDCUIWMLODULKZ-QMMMGPOBSA-N 285.300 -0.107 50 20 CBGD CCCCCCN(C)CC(=O)NNC(=O)C(=O)NC1CC1 109934209 IZQVIYKAGNUHFJ-UHFFFAOYSA-N 298.387 -0.076 50 20 CBGD CCCN1CCC[C@@H]1C(=O)NNC(=O)C(=O)N1CCCC1 126194092 SAVIIWLDQPCFHS-LLVKDONJSA-N 296.371 -0.369 50 20 CBGD Cc1cccc(-n2cc(C(=O)NNC(=O)CO)nn2)c1 182753942 DYLODESXMQFKDK-UHFFFAOYSA-N 275.268 -0.671 50 20 CBGD CN(NC(=O)CCOc1cccc(C(N)=O)c1)C(N)=O 271386704 SUAPJDVDAAIMDF-UHFFFAOYSA-N 280.284 -0.404 50 20 CBGD C=C[C@](C)(O)CC(=O)NNC(=O)CNC(=O)c1ccco1 289610562 AQOYZYGZUOPEBQ-ZDUSSCGKSA-N 295.295 -0.516 50 20 CBGD CO[C@](C)(C(=O)NNC(=O)c1cnn(C)c1)C1CC1 291657206 IVFSQMIENXTRBQ-LBPRGKRZSA-N 266.301 -0.004 50 20 CBGD COC(=O)NNS(=O)(=O)c1cc(C(=O)O)n(C)c1 298243325 OWOUFDZEQYQDNO-UHFFFAOYSA-N 277.258 -0.727 50 20 CBGD COC(=O)C12CCC(C(=O)NNC(=O)CN(C)C)(CC1)C2 368908328 ZPMWVDSRDISVOC-UHFFFAOYSA-N 297.355 -0.181 50 20 CBGD CC(C)N1C[C@@H](C(=O)Nc2cccc(B(O)O)c2)CC1=O 405005501 RDHFSXPJSFHLEC-JTQLQIEISA-N 290.128 -0.438 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H]1NC(=O)O[C@H]1C 496310764 VUMQRLRXKFNZOB-BQBZGAKWSA-N 258.278 -0.386 50 20 CBGD CCN(CCNC(=O)c1cc(B(O)O)ccc1F)C1CC1 584944749 VXPXRMFKDPYNFD-UHFFFAOYSA-N 294.135 -0.280 50 20 CBGD C[C@@H](CCCO)NC(=O)c1ccc(B(O)O)c(F)c1 584957261 DBKZPTMIFIQCSF-QMMMGPOBSA-N 269.081 -0.604 50 20 CBGD COC[C@@H](C)CN(C)C(=O)c1ccc(B(O)O)c(F)c1 584960207 JWEUXOVWMUQJMJ-VIFPVBQESA-N 283.108 -0.140 50 20 CBGD CN(C)CCCN(C)C(=O)c1ccc(B(O)O)cc1 584971005 JABNNHLQHUCYBE-UHFFFAOYSA-N 264.134 -0.610 50 20 CBGD C[C@H](C[S@@](C)=O)N(C)C(=O)c1cccc(B(O)O)c1 584973167 MNGPLBVJSBMOAH-AYLIAGHASA-N 283.158 -0.795 50 20 CBGD CC[C@@H](NCc1ccc(B(O)O)o1)[C@@H](O)C(F)(F)F 585035666 WMNYVSHWYUBNCM-VXNVDRBHSA-N 281.039 -0.249 50 20 CBGD C[C@](CO)(CNCc1ccc(B(O)O)o1)c1ccccc1 585040406 JVQGKGOBNSCFRK-OAHLLOKOSA-N 289.140 -0.001 50 20 CBGD CC1=C(C(=O)NNC(=O)N2CCOCC2)C(=O)OC1(C)C 727646983 PMXSOZKMGKQAND-UHFFFAOYSA-N 297.311 -0.289 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cc(C(=O)O)sc1C 729666341 RYIFDVWOIGVFSO-UHFFFAOYSA-N 293.326 -0.123 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@@H](C(=O)O)C1 736401696 KSNYGIYNVGZKAH-VHSXEESVSA-N 285.344 -0.025 50 20 CBGD CN1CCC[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)C1=O 748663349 LIEPAJLBQSDLCF-SECBINFHSA-N 279.300 -0.421 50 20 CBGD CC(C)NC(=O)NNS(=O)(=O)c1c[nH]c(C(=O)O)c1 751271256 IBPNMJBIXUNZTE-UHFFFAOYSA-N 290.301 -0.386 50 20 CBGD COc1ccc(-c2cc(C(=O)NNC(=O)CO)n[nH]2)cc1 753439578 QPJOISYESIWNAX-UHFFFAOYSA-N 290.279 -0.161 50 20 CBGD CCNC(=O)c1ccc(NC(=O)NNC(=O)CO)c(C)c1 756083900 HSBQMXGAHOATCQ-UHFFFAOYSA-N 294.311 -0.110 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)CCOCCOC 768493199 ARRVGBKLTHSPHB-UHFFFAOYSA-N 283.350 -0.855 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](n2cncn2)C1 776876122 DPHCMPFEJQXBPS-NXEZZACHSA-N 280.332 -0.529 50 20 CBGD CN(NC(=O)Cn1cccc(C(F)(F)F)c1=O)C(N)=O 778417166 PFJGVDYIDDOLSR-UHFFFAOYSA-N 292.217 -0.091 50 20 CBGD COC(=O)CNC(=O)NN=C(C)c1cnccn1 779823187 LWNZUGQDEHRGQS-UHFFFAOYSA-N 251.246 -0.327 50 20 CBGD CS(=O)(=O)NCCc1ccc(C(=O)NN)cc1 783358711 RNAFNYIHJFQHJK-UHFFFAOYSA-N 257.315 -0.618 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cccnc1OC 784917280 IJVDNAZFYGBDJC-UHFFFAOYSA-N 295.299 -0.279 50 20 CBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)c1cccn1C 788631553 ZEDQOESDXVUDQD-SVRRBLITSA-N 266.257 -0.717 50 20 CBGD O=C(CNC(=O)C1CC1)NNc1nc2ccccn2n1 791244431 XKOBBPHRZPGBRU-UHFFFAOYSA-N 274.284 -0.301 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 807195955 OJLYSOBUURJHAA-SNVBAGLBSA-N 281.243 -0.542 50 20 CBGD CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1c[nH]nc1C 814781881 OILVRHKOBLOZMZ-VIFPVBQESA-N 284.341 -0.007 50 20 CBGD O=C(O)CCNC(=O)NNC(=O)Cc1ccncc1 819492346 CJHFQGNVXIVBSY-UHFFFAOYSA-N 266.257 -0.571 50 20 CBGD CC(C)NC(=O)N1CCC[C@H]1C(=O)NN(C)[C@H](C)CO 823945947 AUWQUOPLLMCNOU-MNOVXSKESA-N 286.376 -0.087 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCn1ccnc1 843647621 ZHIMMUZBRMCKEM-NXEZZACHSA-N 266.301 -0.154 50 20 CBGD O=S(=O)(CCl)N[C@H](CO)[C@H]1CCCOC1 849399586 NRPHQVQZOKHXKE-JGVFFNPUSA-N 257.739 -0.110 50 20 CBGD C[C@H](N)[C@@H]1CN(S(=O)(=O)CBr)CCO1 850585374 ZQCRKJALIOIEMY-BQBZGAKWSA-N 287.179 -0.283 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CCCc2nn[nH]c21 854920581 DPTUBBYRRAVNDO-ZCFIWIBFSA-N 268.346 -0.308 50 20 CBGD O=C(NNc1ncncc1Cl)[C@@]1(O)CCOC1 857491689 VLMPYTAIWFVOCI-SECBINFHSA-N 258.665 -0.276 50 20 CBGD CC(C)CC(=O)NNC(=O)CN1CC(=O)N(C)C1=O 858285464 XFOQHCLWMRYKPY-UHFFFAOYSA-N 270.289 -0.926 50 20 CBGD CO[C@H]1CCCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858698429 ZSEITGZXNVGJTJ-DTWKUNHWSA-N 284.316 -0.883 50 20 CBGD CO[C@@](C)(C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 862461961 NOLDOHSUOVTFSB-QPUJVOFHSA-N 269.301 -0.773 50 20 CBGD COC[C@@H]1CCCN1NC(=O)c1cccc(B(O)O)c1 863887008 BSABPZPDWKPMKD-LBPRGKRZSA-N 278.117 -0.878 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CCc2cccnc21 869906088 QUIJINOXTJGGCD-NSHDSACASA-N 293.323 -0.078 50 20 CBGD COCCOCC(=O)NNC(=O)COC(C)(C)C 869907483 NHXRWZPIVBHEJP-UHFFFAOYSA-N 262.306 -0.388 50 20 CBGD COC[C@](C)(CO)NCC(=O)NNC(=O)C(C)(C)C 879163469 UVXSUIDEOZYOGG-LBPRGKRZSA-N 275.349 -0.833 50 20 CBGD O=C(COc1ccc(F)cc1)NNC(=O)Cn1cnnn1 910793608 OXMDTAJGVHTVDP-UHFFFAOYSA-N 294.246 -0.961 50 20 CBGD CCC[C@H](OC)C(=O)NNC(=O)CN1CCCC1=O 913733043 TWNNICSDZIMENV-VIFPVBQESA-N 271.317 -0.429 50 20 CBGD O=C1CN(CC(=O)NNc2ccc(F)cn2)CCN1 913807522 MDPVUXUAGVRWBI-UHFFFAOYSA-N 267.264 -0.904 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 919879142 HXYLKTBDHORMAE-ZETCQYMHSA-N 256.306 -0.406 50 20 CBGD NC(=O)c1csc(C=NNC(=O)[C@@H]2CCC(=O)N2)c1 1118889715 ROVJLQXNROYHFO-QMMMGPOBSA-N 280.309 -0.424 50 20 CBGD COc1ccc(NC(=O)C(=O)NNC(C)=O)c(OC)n1 1254888539 HUMNALDELXSZGF-UHFFFAOYSA-N 282.256 -0.795 50 20 CBGD CC(=O)NNS(=O)(=O)c1cnc(Cl)n1C 1255163276 COEFAIZYCKJLFO-UHFFFAOYSA-N 252.683 -0.597 50 20 CBGD Cn1cnc(S(=O)(=O)NNC(=O)c2cccn2C)c1 1321004398 APHVJGFFPHZBQV-UHFFFAOYSA-N 283.313 -0.618 50 20 CBGD Cc1ncc(C(=O)NNC(=O)C(=O)NC(C)C)c(C)n1 1324966311 PKHOTLHJJXSRHN-UHFFFAOYSA-N 279.300 -0.621 50 20 CBGD Nc1cnnc(NNC(=O)c2nc[nH]n2)c1Cl 1325091696 PKIORVZDQXRMCW-UHFFFAOYSA-N 254.641 -0.413 50 20 CBGD COC(=O)c1cncc(S(=O)(=O)NNC(C)=O)c1 1326708361 FIKDUCILKMESSI-UHFFFAOYSA-N 273.270 -0.802 50 20 CBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)Cc1cccnc1 1326743913 PCWAKQQAYQGLDE-VHSXEESVSA-N 276.296 -0.717 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@@H]1CCC(=O)NC1 1327166573 CWZLMUOAVHTLKE-GUBZILKMSA-N 283.328 -0.525 50 20 CBGD O=C(NNC(=O)[C@H]1CCCS1(=O)=O)NC1CC1 1327610149 ZIKJZGFNWUZXQF-SSDOTTSWSA-N 261.303 -0.944 50 20 CBGD Cc1ncc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)n1C 1328011286 XOEZHPJHBKGXMD-ZETCQYMHSA-N 287.345 -0.884 50 20 CBGD OB(O)[C@H]1CCN(Cc2cn(Cc3cccnc3)nn2)C1 1330262789 TYQVUCHYTISQHM-LBPRGKRZSA-N 287.132 -0.230 50 20 CBGD C[C@H]1COC[C@@H]1NC(=O)NNC(=O)c1cnn(C)c1 1343830134 VHJJMPIVIAPVSL-CBAPKCEASA-N 267.289 -0.601 50 20 CBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)c1ccccn1 1350786812 UDALRJRDQAUUDL-ZYHUDNBSSA-N 289.339 -0.769 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1Cc2cccc(O)c2C1 1601552875 MBODUMXNYFRSDE-ZETCQYMHSA-N 279.252 -0.726 50 20 CBGD C=CCCSCCNC(=O)NNC(=O)C(=O)O 1602880740 APGNMUJMAFUXPP-UHFFFAOYSA-N 261.303 -0.289 50 20 CBGD Cc1c(F)cccc1NC(=O)C(=O)NNC(=O)C(=O)O 1610416860 ANZBUHOFNIFCFI-UHFFFAOYSA-N 283.215 -0.695 50 20 CBGD O=C(Cn1ccccc1=O)NNC(=O)NC1CC1 49151110 ZZXMPHDENVDUBE-UHFFFAOYSA-N 250.258 -0.659 50 20 CBGD COC(=O)NCC(=O)NNC(=O)Cc1ccccc1OC 55352710 NWKQODYVOYBMLL-UHFFFAOYSA-N 295.295 -0.259 50 20 CBGD O=C(Cc1ccccc1F)NNC(=O)Cn1cnnn1 108975081 FSIUAJNJGQGHIL-UHFFFAOYSA-N 278.247 -0.798 50 20 CBGD NNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 110576614 IWHFWXOUSBOCPX-UHFFFAOYSA-N 283.353 -0.480 50 20 CBGD O=C(NNC(=O)c1ccnc(-n2cncn2)c1)NC1CC1 143216360 HGXUKJDWQLUYFX-UHFFFAOYSA-N 287.283 -0.231 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1ccnc(F)c1 182527830 XYXKDVWOQWLFJX-UHFFFAOYSA-N 270.264 -0.231 50 20 CBGD COCCO[C@H](C)C(=O)NN[C@@H](C(N)=O)c1ccccc1 267041912 CVGUYUNMHBZJGW-ZYHUDNBSSA-N 295.339 -0.115 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)Cn2ccc([N+](=O)[O-])n2)O1 293819238 FEPSAEQTVQKNPV-YUMQZZPRSA-N 297.271 -0.494 50 20 CBGD COC(=O)N(C)NC(=O)c1cc(S(N)(=O)=O)oc1C 497096710 GPGITRBRDPCRMN-UHFFFAOYSA-N 291.285 -0.422 50 20 CBGD C[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)NC(C)(C)C 584933229 FPALVFVRTHGFDW-VIFPVBQESA-N 292.144 -0.601 50 20 CBGD CCN(CCNC(=O)c1ccc(B(O)O)c(F)c1)C(C)C 584945855 LUSPEPMUUHLWSJ-UHFFFAOYSA-N 296.151 -0.034 50 20 CBGD O=C(N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO)c1ccc(B(O)O)cc1 584962836 LBCMMDQOIWMZNC-IMIFBBOLSA-N 289.140 -0.497 50 20 CBGD CN(C)C[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584972272 RSNBFVAMKFYNAP-LLVKDONJSA-N 276.145 -0.610 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@@](O)(C2CC2)C1 584983906 RESJOLSVXQFXSS-AWEZNQCLSA-N 293.103 -0.508 50 20 CBGD O=C(N[C@H]1CC12CCOCC2)c1cccc(B(O)O)c1 584997394 FSHWBUJRRKFKIM-LBPRGKRZSA-N 275.113 -0.335 50 20 CBGD C[C@H](CCNC(=O)c1cc(B(O)O)ccc1F)N(C)C 585007004 SNIRDWSJWPOORV-SECBINFHSA-N 282.124 -0.425 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCN(CC(F)(F)F)C2)o1 585021206 QRVCGVQTHQAQEN-MRVPVSSYSA-N 292.066 -0.314 50 20 CBGD C[C@@H](NCc1ccccc1B(O)O)C(=O)NC1CCCC1 585021962 QGCHIWCTIHYUEV-LLVKDONJSA-N 290.172 -0.097 50 20 CBGD OB(O)c1ccc(CN[C@@H]2COc3ccccc3[C@@H]2O)o1 585040393 DXCYHYRUJPBUBE-RISCZKNCSA-N 289.096 -0.456 50 20 CBGD C[C@H]1[C@H](CNCc2cccc(B(O)O)c2)N(C)CCN1C 585043689 SOFDAFQZDUEDCO-WFASDCNBSA-N 291.204 -0.910 50 20 CBGD CCN1CC(NCc2ccc(B(O)O)cc2F)C1 585043942 VXQHSBBNSFTCHL-UHFFFAOYSA-N 252.098 -0.701 50 20 CBGD C[C@@H](NCc1ccccc1B(O)O)c1cnnn1C 585045811 MQZCYEIWTYTLIK-SECBINFHSA-N 260.106 -0.654 50 20 CBGD O=C(Cc1ccn(-c2ccccc2)n1)NCB(O)O 585060157 NRPBHKNUMBRWQK-UHFFFAOYSA-N 259.074 -0.457 50 20 CBGD CN(C)c1ccc(CCC(=O)NCB(O)O)cc1 585061190 MOSGUKGJJNVHST-UHFFFAOYSA-N 250.107 -0.187 50 20 CBGD Cc1cnn(-c2ccc(C(=O)NCB(O)O)cc2)c1 585061914 MLCAJCICKKIXTP-UHFFFAOYSA-N 259.074 -0.077 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@H]1C(=O)O)c1ccccc1O 739453529 KKVRDYVOPNBEST-JGVFFNPUSA-N 264.237 -0.126 50 20 CBGD O=C(O)NNC(=O)Nc1cccnc1-n1cncn1 740002169 FBEYEYABJYTRAN-UHFFFAOYSA-N 263.217 -0.034 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCn1ccnc1 748452599 GNQDKAQKRAIFJA-JTQLQIEISA-N 299.331 -0.735 50 20 CBGD CC(C)(CC(N)=O)NCC(=O)NNC(=O)C(C)(C)C 755298685 LZGKGHKRTDLJOV-UHFFFAOYSA-N 272.349 -0.577 50 20 CBGD CN1CCN(CC(=O)NN=c2cc[nH]cc2Cl)CC1 757417886 VAWJEOFRZVISCP-UHFFFAOYSA-N 283.763 -0.153 50 20 CBGD COCC(=O)NN[C@@H](C(=O)OC)c1cccnc1 771903264 PFUNLIASFHGYDZ-SNVBAGLBSA-N 253.258 -0.437 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)CO)cc([N+](=O)[O-])c1 777781792 HAJVUEMIRROMPW-UHFFFAOYSA-N 297.223 -0.865 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](C)O[C@@H](CO)C1 787320601 MBLLRGMOUMBIAD-KXUCPTDWSA-N 273.333 -0.986 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1cc[nH]n1 787782968 HSGSVRHOPANXIU-SSDOTTSWSA-N 268.273 -0.559 50 20 CBGD Cn1ncc(C=NNC(=O)CNC(=O)OC(C)(C)C)n1 814897732 CUIZXQBCBHFRQB-UHFFFAOYSA-N 282.304 -0.210 50 20 CBGD O=C(NNc1ccccc1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 816840536 SLMYPRUFCBSARU-IJLUTSLNSA-N 264.281 -0.458 50 20 CBGD C[C@H](CO)N(C)NC(=O)Cn1nnc(-c2ccccc2)n1 823977464 XQGMMQBUAXJJGS-SNVBAGLBSA-N 290.327 -0.316 50 20 CBGD C[C@H]1CCCN1S(=O)(=O)NNC(=O)[C@H]1CCCCO1 830038067 ZHEATQFHXGMLSI-VHSXEESVSA-N 291.373 -0.095 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCCC[C@H]1CN 841950674 VHKYXCHIFMZREP-VHSXEESVSA-N 272.349 -0.129 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cn1cc([N+](=O)[O-])cn1 843640103 BCKMOFXWYRDMTI-APPZFPTMSA-N 297.271 -0.636 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc2ncccn2n1 843653324 DNBUFESHVTZUIP-BDAKNGLRSA-N 289.295 -0.085 50 20 CBGD CCn1nc(C)c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1 843659536 JAIDVHAQEICOIQ-IUCAKERBSA-N 281.316 -0.208 50 20 CBGD COC(=O)C12CC(C(=O)NNC(=O)c3c[nH]nc3C)(C1)C2 843791106 BRBIYDCYEWLQBH-UHFFFAOYSA-N 292.295 -0.178 50 20 CBGD CSCC1(CC(=O)NNC(=O)C(=O)NC2CC2)CC1 845107305 DTJUHPRQICSXIO-UHFFFAOYSA-N 285.369 -0.054 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H](CO)CCF 846718570 PYGDUODRZTZBPB-DJLDLDEBSA-N 277.296 -0.538 50 20 CBGD CCCNC(=O)NNC(=O)c1ccnc(N)c1[N+](=O)[O-] 847393777 HTGPTUSDXXPYKP-UHFFFAOYSA-N 282.260 -0.074 50 20 CBGD Cc1nccnc1C(=O)NNC(=O)N1CCN(C)CC1 854378945 IZIPTQYCTCRQSN-UHFFFAOYSA-N 278.316 -0.613 50 20 CBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)CC#N 855833294 KEWOTVOPUMBYKE-UHFFFAOYSA-N 268.317 -0.010 50 20 CBGD Cn1ccnc(NNC(=O)Cn2cc(C3CC3)cn2)c1=O 857143908 CBKHDHXEMLCEEU-UHFFFAOYSA-N 288.311 -0.003 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCSCC2)N1 858694654 RXFIRRXOKYBFSN-ZETCQYMHSA-N 272.330 -0.945 50 20 CBGD CCc1nc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cs1 862451573 DXLSVECDKDLWCI-QMMMGPOBSA-N 296.352 -0.326 50 20 CBGD COC(=O)CC(C)(C)NC(=O)c1cc(B(O)O)ccc1F 863880078 MTRQOSOAJKPBNX-UHFFFAOYSA-N 297.091 -0.423 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CN2C[C@@H]3C[C@H]2CN3)cc1 866678086 VQMKYOKFJGXYCV-STQMWFEESA-N 288.351 -0.198 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@H]2CO[C@@H](C)C2)n[nH]1 869016412 KSFVGKDSONFKQU-IUCAKERBSA-N 266.301 -0.167 50 20 CBGD CC[C@]1(O)CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 870677877 IHSSQPVVFXGWKK-AWEZNQCLSA-N 295.119 -0.117 50 20 CBGD O=C(CN1CCCCS1(=O)=O)NNC(=O)C1CCC1 878807738 SLNDHPWVDDTTKO-UHFFFAOYSA-N 289.357 -0.641 50 20 CBGD C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)N1CCCC1 906469805 FILRJTKUJUMIMR-QWRGUYRKSA-N 295.339 -0.263 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=S)NC(C)(C)C 914881686 KEOIOVORWDSYHZ-ZCFIWIBFSA-N 260.363 -0.195 50 20 CBGD CCC/C=C/C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 920432777 CSTHWGONWUHVGI-XNPJLODASA-N 274.342 -0.075 50 20 CBGD Cc1c(C(=O)NNC(=O)c2cccnc2)nnn1C 1116148316 ANVMUOXWDVEJDU-UHFFFAOYSA-N 260.257 -0.407 50 20 CBGD COCc1nc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cs1 1118908814 BVIVWOBWEWIBII-LURJTMIESA-N 298.324 -0.671 50 20 CBGD Cc1nc(Cl)cc(NNC(=O)CN2C(=O)CNC2=O)n1 1261369301 WTJDPRIGELZPRQ-UHFFFAOYSA-N 298.690 -0.567 50 20 CBGD O=C(CCN1C(=O)CCNC1=S)NNc1ccncn1 1261550530 AMLSKMPFAMYHCX-UHFFFAOYSA-N 294.340 -0.583 50 20 CBGD CN(Cc1cscn1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1261791170 IFZUZDRQQYOADA-MRVPVSSYSA-N 297.340 -0.406 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCc2ccncc2)cn1 1318671178 IVMZCDVSGMNHOG-UHFFFAOYSA-N 274.284 -0.041 50 20 CBGD O=C(CN1CCC2(CC1)COC(=O)N2)NNC(=O)C1CC1 1320326395 YGXXSXISNVKSPN-UHFFFAOYSA-N 296.327 -0.882 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 1320543327 LXONITYBXSHTBA-UHFFFAOYSA-N 292.295 -0.042 50 20 CBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1 1320897362 BTIYSLOHRFRFOR-UHFFFAOYSA-N 279.252 -0.746 50 20 CBGD Cn1ccnc(NNC(=O)c2ccc3nn[nH]c3c2)c1=O 1322295863 FXIVDXJHDNAYLN-UHFFFAOYSA-N 285.267 -0.192 50 20 CBGD COCc1nc(C(=O)NNC(=O)CCCCCN)no1 1329667659 QFYCHXOTZRGDPE-UHFFFAOYSA-N 285.304 -0.504 50 20 CBGD CN(C)N(C(=O)Cc1cc[nH]n1)[C@@H]1CCS(=O)(=O)C1 1330175717 JRYFYRFFEBPOKF-SNVBAGLBSA-N 286.357 -0.556 50 20 CBGD COCCn1cc(C(=O)NNC(C)=O)ccc1=O 1330505754 XDACIKPLIMGPDF-UHFFFAOYSA-N 253.258 -0.724 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCO[C@H](C)C1 1337295860 ZUMLZFVBHBGLNO-BDAKNGLRSA-N 271.317 -0.527 50 20 CBGD Cn1cc(C(=O)NNC(=S)NC[C@H]2CCOC2)cn1 1340950512 HDWFQPZPHYWWSR-MRVPVSSYSA-N 283.357 -0.435 50 20 CBGD C[S@@](=O)CCCNC(=O)NNC(=O)[C@H]1CCCCO1 1344399509 NRQBQIZDMMFIDR-AYLIAGHASA-N 291.373 -0.346 50 20 CBGD CC[C@@H](C)[C@H](CNC(=O)NNC(=O)C(=O)OC)OC 1344564723 AYJRQYORMIGDHD-SFYZADRCSA-N 275.305 -0.449 50 20 CBGD CCOC(=O)NNC(=O)C[C@@H]1CCCS(=O)(=O)C1 1347781453 DSRKOQHAOLIYIG-QMMMGPOBSA-N 278.330 -0.021 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@@H](N)CC(C)C 1579056894 UXTARXSDFNXFQR-JTQLQIEISA-N 275.349 -0.440 50 20 CBGD O=C(O)c1cnc(C(=O)NNc2ncncc2F)cn1 1595266684 QSCGOOZYQRSDLK-UHFFFAOYSA-N 278.203 -0.139 50 20 CBGD COC(=O)C(=O)NN[C@H](C(=O)O)c1ccccc1F 1598683724 BIKSMADXFQBLOL-QMMMGPOBSA-N 270.216 -0.255 50 20 CBGD O=C(Cn1cc(C(=O)O)cn1)NNC(=O)c1ccncc1 1601379274 HKJUMSFGRBDWHI-UHFFFAOYSA-N 289.251 -0.563 50 20 CBGD O=C(O)[C@H]1[C@@H](O)CCCN1S(=O)(=O)CCl 1608596493 SYVVSTNPITYUED-NTSWFWBYSA-N 257.695 -0.578 50 20 CBGD CCN(CC)CCC(=O)NN=Cc1cn(CC(=O)O)nn1 1776024672 LXYTXPYDBCSKEW-UHFFFAOYSA-N 296.331 -0.455 50 20 CBGD CCOC(=O)N1CCC(C(=O)NNC(=O)NC)CC1 48950459 YFQCSUFDLTZMQS-UHFFFAOYSA-N 272.305 -0.185 50 20 CBGD CS(=O)(=O)CCCOc1ccc(B(O)O)cc1 203260652 CNOIKMFQSLQQCU-UHFFFAOYSA-N 258.104 -0.820 50 20 CBGD COC(=O)C[C@H](C)C(=O)NNC(=O)Cc1ccncc1 268245117 XXDYUUOOXBRWPI-VIFPVBQESA-N 279.296 -0.029 50 20 CBGD COc1cccc(NNC(=O)[C@H](C)NS(C)(=O)=O)n1 272509199 IRXSLFLQYOOYID-ZETCQYMHSA-N 288.329 -0.529 50 20 CBGD C=CCNC(=S)NNC(=O)c1c(OC)ncnc1OC 281355972 VVNPJXDWNMDVKK-UHFFFAOYSA-N 297.340 -0.211 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cnn(C)n2)O1 294039893 YEUPNCWOYFOCJQ-XPUUQOCRSA-N 253.262 -0.856 50 20 CBGD O=C(CO)NNC(=O)c1cc2c(cn1)OCCC2 370324657 JCNLSOATYAGJTP-UHFFFAOYSA-N 251.242 -0.840 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 370328743 WVTLFIWVNZZYPH-MRVPVSSYSA-N 294.315 -0.545 50 20 CBGD CC(C)[C@](C)(C#N)NC(=O)COc1ccc(B(O)O)cc1 584909454 LRAYYMPFZVLCEY-AWEZNQCLSA-N 290.128 -0.200 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@H](O)C1 584930699 AVNQQEGTMSPPBW-VIFPVBQESA-N 267.065 -0.898 50 20 CBGD C[C@](O)(CNC(=O)c1cccc(B(O)O)c1)C1CC1 584953308 BAGJZCUYUXVCSP-ZDUSSCGKSA-N 263.102 -0.743 50 20 CBGD CCC[C@H](CNC(=O)c1ccc(B(O)O)cc1)OC 584994648 CDYAMFQLRNPOBU-GFCCVEGCSA-N 265.118 -0.089 50 20 CBGD Cn1cncc1[C@@H]1C[C@H]1NC(=O)c1cccc(B(O)O)c1 584996461 IEIMILMEIYWJMF-VXGBXAGGSA-N 285.112 -0.614 50 20 CBGD Cc1cn2c(n1)CC[C@H](NCc1ccccc1B(O)O)C2 585019987 MBOCTRLOXOVPEO-ZDUSSCGKSA-N 285.156 -0.024 50 20 CBGD CCN(C)CCNCc1ccc(B(O)O)cc1F 585020613 DDABGGDLZFLOII-UHFFFAOYSA-N 254.114 -0.453 50 20 CBGD NC(=O)C1CCC(NCc2ccc(B(O)O)o2)CC1 585024546 XLOLOLLPBWZHEV-UHFFFAOYSA-N 266.106 -0.907 50 20 CBGD CC[C@H](C)NC(=O)[C@@H](C)NCc1cccc(B(O)O)c1 585033152 YRPUQRAUPMXAEH-WDEREUQCSA-N 278.161 -0.241 50 20 CBGD Cc1cc(S(=O)(=O)NCB(O)O)ccc1Cl 585057232 PYDKHBVHSXOPRL-UHFFFAOYSA-N 263.511 -0.061 50 20 CBGD CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@@H](B(O)O)C1 585067958 WNJMYCPDNCXWFL-GHMZBOCLSA-N 270.138 -0.388 50 20 CBGD CCN1CCN(CCC(=O)NNC(=O)C(C)C)CC1 725880115 XVANHAARBAVNDP-UHFFFAOYSA-N 270.377 -0.183 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCn1cncn1 740851369 BNOYMVHGESQCDZ-UHFFFAOYSA-N 296.331 -0.880 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 746006236 YQELBQBPKYALES-UHFFFAOYSA-N 290.279 -0.172 50 20 CBGD O=C(NNc1ncccn1)N[C@@H]1CCCS(=O)(=O)C1 758647435 ABWWNJFXEIOUGT-MRVPVSSYSA-N 285.329 -0.320 50 20 CBGD NC(=O)[C@H]1CC[C@@H](CNC(=O)NNc2ccccn2)O1 759776445 NBACDRFLRKDFAA-DTWKUNHWSA-N 279.300 -0.259 50 20 CBGD O=C1C[C@@H](C(=O)NNC(=O)C2CCCC2)CCN1 760361412 WCWBTSXTSMJHMH-VIFPVBQESA-N 253.302 -0.150 50 20 CBGD CN(NC(=O)c1cc(Br)nn1C)C(N)=O 760482990 GXWCOECLVNEIJU-UHFFFAOYSA-N 276.094 -0.162 50 20 CBGD O=C(NNc1nc2ccccn2n1)[C@@H]1COCCO1 791241981 BMNOPUXJSHRODA-QMMMGPOBSA-N 263.257 -0.412 50 20 CBGD C=CCN(CCOC)CC(=O)NNC(=O)C1CC1 792406441 GYLZURKQKKSLAD-UHFFFAOYSA-N 255.318 -0.322 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCc1ccccc1C(N)=O 792479416 OSGWSKAUNVHEKI-UHFFFAOYSA-N 293.323 -0.364 50 20 CBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)c1ccccc1 816816825 JKTPXGHPOKFYIF-SECBINFHSA-N 299.352 -0.225 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccc2c(c1)C(=O)NCCO2 822556450 FXYCFDBKNSGZNS-SECBINFHSA-N 293.323 -0.234 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC(=O)N[C@H]2CCCC[C@H]21 828039840 ARINWIYOKHCVQN-WDEREUQCSA-N 296.371 -0.467 50 20 CBGD COC/C(C)=C\C(=O)NNC(=O)CNC(=O)c1ccco1 844363481 MBAHGQDEOYSECI-TWGQIWQCSA-N 295.295 -0.251 50 20 CBGD CCONC(=O)CNC(=O)NNc1ccc(OC)cn1 846722730 BTFKMXKSMJGDPF-UHFFFAOYSA-N 283.288 -0.216 50 20 CBGD C[C@H](CC(=O)NNc1cc(Cl)nc(N)n1)NC(N)=O 847706971 OFIITCVBLZKEFE-SCSAIBSYSA-N 287.711 -0.398 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1nccnc1C 853936729 UBZYENNJSBEPRV-MRVPVSSYSA-N 280.284 -0.112 50 20 CBGD O=C(NNc1ncc(Cl)cn1)[C@@]1(O)CCOC1 857730037 KMTHUDKMRQJXRB-SECBINFHSA-N 258.665 -0.276 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1CCN(C2CC2)C1 858280985 AOMKXVRAFQIBLE-SECBINFHSA-N 278.316 -0.410 50 20 CBGD COC(=O)N(C)NS(=O)(=O)c1cnc(C)n1C 859151338 ASTPMLTZIYMXHE-UHFFFAOYSA-N 262.291 -0.380 50 20 CBGD C[C@H](NNC(=O)[C@H]1CN2CCCN1CC2)C(F)(F)F 862315976 IMQOFFLOCRFIKM-DTWKUNHWSA-N 280.294 -0.052 50 20 CBGD CCO[C@H](CC)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862452410 KMDSZZZLIUWHLC-JGVFFNPUSA-N 257.290 -0.773 50 20 CBGD CSC[C@@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862455933 SOQXDTUYTMAQPU-RNFRBKRXSA-N 259.331 -0.589 50 20 CBGD CCCCC[C@@H](O)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862458580 BPXBAYNWVCXHJQ-RKDXNWHRSA-N 271.317 -0.646 50 20 CBGD C[C@@H]1CN=C(NC(=O)c2cccc(B(O)O)c2)S1 863884163 APBOBMZBPRJXBL-SSDOTTSWSA-N 264.115 -0.413 50 20 CBGD CC[C@@H](NC(C)=O)C(=O)NNC(=O)NCC(F)(F)F 868027807 KLTSSSISKALZPO-ZCFIWIBFSA-N 284.238 -0.206 50 20 CBGD CC[C@H](C)[C@@H](NNC(=O)[C@H]1CCC(=O)N1)C(=O)OC 905774946 SJUDKSUFIXOIBC-QXFUBDJGSA-N 271.317 -0.527 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1CCCC(=O)N1C 910578455 BFHBVQGKEOGPJG-QMMMGPOBSA-N 279.300 -0.061 50 20 CBGD CC1=NO[C@H](C(=O)NNC(=O)C2CCOCC2)C1 923061933 ZKVOASPJMQYKJY-VIFPVBQESA-N 255.274 -0.275 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccnn1C(C)(C)C 1118383182 DHKIYEDEPVERSW-UHFFFAOYSA-N 297.315 -0.630 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)c1cn[nH]c1)Cn1cccn1 1118801056 LORKMIIZJJDWTL-VIFPVBQESA-N 291.315 -0.114 50 20 CBGD COC(=O)NNS(=O)(=O)c1ccc(C#N)nc1 1318279439 YCSZYKGYDAHRGT-UHFFFAOYSA-N 256.243 -0.497 50 20 CBGD Nc1nccnc1C(=O)NNC(=O)NC1CCCC1 1318842459 GKXCDOULCMUSEN-UHFFFAOYSA-N 264.289 -0.055 50 20 CBGD O=C(CC1CC1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1319301099 BWYLQHJYJUWRPZ-MRVPVSSYSA-N 260.315 -0.631 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)no1 1319987941 SEPZDNYAHOVVHW-ZETCQYMHSA-N 287.297 -0.821 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccncn1 1320455421 HHPWFSNGUFUNTB-ZETCQYMHSA-N 266.257 -0.421 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1cccnc1 1322253708 MTXJNBNHGRMLSC-UHFFFAOYSA-N 252.230 -0.915 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc3n(n2)CCCC3)N1 1329171394 COHLLJBBJOMLGW-VIFPVBQESA-N 291.311 -0.741 50 20 CBGD COc1nc(Cl)c(C=NNC(=O)[C@H]2CCC(=O)N2)n1C 1329556174 FPPSNFDALPMQCG-ZCFIWIBFSA-N 299.718 -0.189 50 20 CBGD COCCOCC(=O)NNC(=O)/C=C/c1cnn(C)c1 1329979117 WBSBMROEYJEVOG-ONEGZZNKSA-N 282.300 -0.756 50 20 CBGD O=C(NNc1ncc(F)cn1)[C@@H]1CCCS1(=O)=O 1332889394 NADPMHDSQPEMMO-ZETCQYMHSA-N 274.277 -0.364 50 20 CBGD O=C(NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)C1CCOCC1 1336056089 RWSCSJVUBGYHDQ-SDDRHHMPSA-N 298.339 -0.388 50 20 CBGD COC(=O)C(=O)NN=Cc1cn(C(C)(C)C)nn1 1343543608 KHXTXMHQKGHWRK-UHFFFAOYSA-N 253.262 -0.344 50 20 CBGD COC(=O)CC(C)(C)N(C)C(=O)c1cccc(B(O)O)c1 1351705321 RFXIHEJJYWAFJZ-UHFFFAOYSA-N 293.128 -0.220 50 20 CBGD C[C@@H](C(=O)NNC(=O)CN)n1ccc(C(F)(F)F)n1 1575069135 JNOVWTAOQQSJJK-YFKPBYRVSA-N 279.222 -0.431 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@@]1(C(=O)O)CCCO1 1588925050 CRQPHXSVAOGGSR-SNVBAGLBSA-N 259.262 -0.641 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)c1ncccn1)C(=O)O 1589056279 MKBLUVCFDLHDPL-LURJTMIESA-N 267.245 -0.859 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@H]2C[C@H]2C(=O)O)n1 1600512516 UIFNZHYPTHNTBJ-JGVFFNPUSA-N 263.253 -0.128 50 20 CBGD Cn1c(Cl)cnc1C=NNC(=O)NCC(=O)O 1600918255 PVLCEGCRYLGCJA-UHFFFAOYSA-N 259.653 -0.209 50 20 CBGD O=C(Cn1cc(C(=O)O)nn1)NNc1ncccc1F 1601381897 PTTKKNLTSINRKO-UHFFFAOYSA-N 280.219 -0.346 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCCC1(F)F 1601553000 QOIOYMBRIYXXDY-BYPYZUCNSA-N 251.189 -0.411 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(C(=O)O)ccn1 1604833780 FXSLGMDAQVWWHF-IONNQARKSA-N 293.279 -0.034 50 20 CBGD Cc1cccc(CCNC(=O)NNC(=O)C(=O)O)c1 1607849324 MKCBRLSPKLSUMY-UHFFFAOYSA-N 265.269 -0.047 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CC1)c1ccnnc1 1608478365 XKTMHWXTIJZKJN-UHFFFAOYSA-N 250.214 -0.898 50 20 CBGD N#CC1=CCN(C(=O)C2(S(N)(=O)=O)CC2)CC1 1630798616 ASZNLGNIMFTIAX-UHFFFAOYSA-N 255.299 -0.510 50 20 CBGD CCNC(=O)NNC(=O)CSc1nncs1 49164106 SHTKHQNRVKAUAK-UHFFFAOYSA-N 261.332 -0.020 50 20 CBGD CNC(=O)NNC(=O)CNC(=O)c1ccccc1OC 57292320 KBZKFNBUCDLNSY-UHFFFAOYSA-N 280.284 -0.615 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2ccc3nncn3c2)[nH]n1 151156412 CSYNMLLJIZPXSJ-UHFFFAOYSA-N 285.267 -0.164 50 20 CBGD C[C@@]1(C(N)=O)CCN(S(=O)(=O)CBr)C1 235399845 HAOJVENLVVTTDA-SSDOTTSWSA-N 285.163 -0.134 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C)n1cccn1 265887207 OUICYSKNUCPLOY-VIFPVBQESA-N 295.343 -0.104 50 20 CBGD CN(C)CC(=O)NNC(=O)C(C)(C)NC(=O)C(F)(F)F 277390076 XGTFFGVEFCKEKL-UHFFFAOYSA-N 298.265 -0.848 50 20 CBGD CC[S@](=O)CC(=O)NNc1nccc(OC)n1 278606362 LKCMJZJFKSMWHC-KRWDZBQOSA-N 258.303 -0.303 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CCOC(C)C 298305910 CGIIHDQLXLKAPK-UHFFFAOYSA-N 259.306 -0.527 50 20 CBGD Cc1cn2c(n1)CC[C@@H](NC(=O)c1cccc(B(O)O)c1)C2 584937459 UZPWUHWEMSNVMM-CYBMUJFWSA-N 299.139 -0.384 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)CC[S@]1=O 584948325 BKMYUHZHSXSQIN-FFVOIRBGSA-N 299.132 -0.902 50 20 CBGD CCN(C(=O)c1cccc(B(O)O)c1)[C@@H](C)CO 584993846 AFIARJZKBSNBOX-VIFPVBQESA-N 251.091 -0.791 50 20 CBGD CCCN(C(=O)c1ccc(B(O)O)cc1)[C@H]1CCN(C)C1 585003626 NNXDHHFLACQMFR-AWEZNQCLSA-N 290.172 -0.077 50 20 CBGD C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C[C@H]1CO 585010016 GUFMJOMTEOTUOT-PWSUYJOCSA-N 277.129 -0.543 50 20 CBGD OB(O)c1cccc(CN[C@@H]2CCO[C@@]3(CCOC3)C2)c1 585035432 UJPBNWOFUOBJFM-CABCVRRESA-N 291.156 -0.206 50 20 CBGD C[C@]1(O)C[C@@H](NCc2ccc(B(O)O)cc2F)C1 585046126 NLOVTQCPPKCFNZ-KLPPZKSPSA-N 253.082 -0.492 50 20 CBGD O=C(NCB(O)O)c1cc2c(nc1O)CCCCC2 585060767 YBYKLRYUBUJGAJ-UHFFFAOYSA-N 264.090 -0.202 50 20 CBGD CCC(CC)[C@@H](C(=O)NCB(O)O)N1CCOCC1 585061606 WONFRLYCWYSSLK-NSHDSACASA-N 272.154 -0.748 50 20 CBGD CNC(=O)NNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 727373896 GIZQKMLACSVIHM-UHFFFAOYSA-N 296.239 -0.060 50 20 CBGD CC[C@@H](C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729275041 JUAAGAFKZIMPRM-RQJHMYQMSA-N 265.335 -0.882 50 20 CBGD CC(CS(C)(=O)=O)=NNC(=O)C(=O)N1CCCC1 732528035 DAVPJLDJHOOUMN-UHFFFAOYSA-N 275.330 -0.855 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)NC2CC2)CC1 746166119 WKIPAROVQRRCPF-UHFFFAOYSA-N 255.274 -0.178 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cn(CC(C)C)cn1 749864798 RZZKQBBMJJBUOC-UHFFFAOYSA-N 275.334 -0.339 50 20 CBGD CCOCC(=O)NNC(=O)Nc1ccn(CCOC)n1 756311200 MWJNFISVJKVBFG-UHFFFAOYSA-N 285.304 -0.281 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2ccc(C(N)=O)cn2)n[nH]1 768273777 JXQSQEFXBFWRQM-UHFFFAOYSA-N 288.267 -0.713 50 20 CBGD CCC(C)(CC)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 768707079 RWVJAIGGYOWPEW-QMMMGPOBSA-N 293.389 -0.102 50 20 CBGD Cc1cccc(C(=O)NNC(=O)c2cccc(C(N)=O)n2)n1 794090434 SVCISUGVMMVWFP-UHFFFAOYSA-N 299.290 -0.041 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@H](C)N1C 815180835 WPHIFRWUZIOQOT-AOOOYVTPSA-N 268.361 -0.432 50 20 CBGD O=C(CN1C(=O)COc2ccccc21)NNc1nc[nH]n1 816632743 WTFJEFWCRCRPJP-UHFFFAOYSA-N 288.267 -0.327 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCN1C(=O)CCC1=O 843641631 GXJWQYBKOJBIII-IUCAKERBSA-N 297.311 -0.902 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(C(=O)NC2CC2)CC1 843976869 ZMVOOLLRBMRORB-WCBMZHEXSA-N 295.339 -0.382 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n[nH]1 843980674 WDRVXCKPAVTQKQ-SCZZXKLOSA-N 266.301 -0.167 50 20 CBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)NCc1ccco1 847390289 FNHPREGCDWPEGZ-DTWKUNHWSA-N 280.284 -0.379 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@H](C)C(=O)O 848586440 ZXUOSZMXPHNQFN-JGVFFNPUSA-N 291.304 -0.911 50 20 CBGD C[C@@H](O)C[C@H]1COCCN1S(=O)(=O)CCl 849387654 VLLQCYIGGLJNNB-SFYZADRCSA-N 257.739 -0.016 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CCCN1C(=O)C1CC1 854927362 FMSKIHFNJJNNFV-VIFPVBQESA-N 284.385 -0.145 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@@H]1CCN(C)C1=O)C1CC1 855099889 PXEJUNJIGZOCRV-APPZFPTMSA-N 284.385 -0.242 50 20 CBGD CC/C=C/CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858511380 YMUQAYOXTUSQSW-MPJRPATESA-N 254.290 -0.438 50 20 CBGD CCCN1CC[C@H](NC(=O)NNC(=O)c2cn[nH]c2)C1 858618810 GPNUAPNFPGABDC-JTQLQIEISA-N 280.332 -0.162 50 20 CBGD CN1CCC[C@@H]1CNC(=O)NNC(=O)N=c1cc[nH]cc1 858750783 PQJXPHHVXGABJY-LLVKDONJSA-N 292.343 -0.067 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc(O)cs2)N1 862461700 MOEVODNYSCBFOY-ZCFIWIBFSA-N 269.282 -0.507 50 20 CBGD Cc1cc(=NNC(=O)CN(C)CC(=O)NC(C)C)cc[nH]1 862509951 YKKMNAUISDEJFC-UHFFFAOYSA-N 293.371 -0.289 50 20 CBGD CSC(C)(C)C(=O)NNC(=O)CS(C)(=O)=O 863467007 KFEMFYJIQIUMJD-UHFFFAOYSA-N 268.360 -0.680 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2c3c(nn2C)CCC3)cn1 906732400 VEDVWOPYFPHPRT-UHFFFAOYSA-N 288.311 -0.283 50 20 CBGD O=C(Cn1cc([N+](=O)[O-])cn1)NNC(=O)C1CC1 912979501 AIMMYUVLNWFLAZ-UHFFFAOYSA-N 253.218 -0.651 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1cc(O)cs1 913732796 JBOABALENDBPDW-UHFFFAOYSA-N 283.309 -0.163 50 20 CBGD N#C[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 928233036 YUYUVKWUVBEWRW-JTQLQIEISA-N 258.086 -0.258 50 20 CBGD CCc1ccccc1NC(=O)C(=O)NNC(=O)CCO 1116600049 OIVCMXRTEBLSEJ-UHFFFAOYSA-N 279.296 -0.283 50 20 CBGD CSc1cccc(C(=O)NNC(=O)C(=O)NC2CC2)n1 1118218385 KHNFYOMTODDRFP-UHFFFAOYSA-N 294.336 -0.157 50 20 CBGD C[C@H](O)c1cn(CC(=O)NN[C@H](C)C(F)(F)F)nn1 1118944815 UCCSERMXRXSRBX-NTSWFWBYSA-N 281.238 -0.097 50 20 CBGD CC(=O)NNC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F 1119033586 PXCCCALESSLRRA-RITPCOANSA-N 267.207 -0.532 50 20 CBGD CCn1cc(C(=O)C(=O)NN(C)C[C@H](C)O)cn1 1119643763 FLCGBBBPQRITCY-QMMMGPOBSA-N 254.290 -0.571 50 20 CBGD N#CC(C#N)=CNNC(=O)CNC(=O)c1ccco1 1318278300 IUKPHOAQFFDWAE-UHFFFAOYSA-N 259.225 -0.439 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccc([S@](C)=O)cc1 1318869341 JNQOTBSASIYCHI-SFHVURJKSA-N 267.310 -0.251 50 20 CBGD Cc1ccncc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1319145964 NAZCDTQDWIGTGH-SECBINFHSA-N 297.336 -0.414 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)C2CCN(C3CC3)CC2)N1 1329644972 OIDFNIJNTJHFJQ-LLVKDONJSA-N 294.355 -0.713 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1nccn1C 1331819757 CRGCXPFJBDFVMX-UHFFFAOYSA-N 258.303 -0.695 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1c(C)noc1C1CC1 1342694556 PUUDTOXDWXMDKI-UHFFFAOYSA-N 296.283 -0.407 50 20 CBGD Cc1cnc(CC(=O)NNC(=O)C(C)(C)O)s1 1343814621 LRFPIDNLUYFUQV-UHFFFAOYSA-N 257.315 -0.088 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H](C)[C@H]2CCC(=O)N2)n[nH]1 1348268255 ONFPVTDJGLUUKV-JGVFFNPUSA-N 279.300 -0.606 50 20 CBGD Cc1nnc(NNC(=O)[C@@H]2CC[C@H]2C(=O)O)n1C 1574436539 YBJZXQQTNNTWQY-RNFRBKRXSA-N 253.262 -0.323 50 20 CBGD N[C@@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CCCCCC1 1580115135 MTUPBYPQIRSMHK-CMPLNLGQSA-N 296.371 -0.290 50 20 CBGD NCCCCCC(=O)NNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 1580292622 GUOMNFZFUHJDCK-GHMZBOCLSA-N 298.387 -0.055 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cccn1CC(=O)O 1598864226 CVMNWGHBRJAKAI-UHFFFAOYSA-N 282.256 -0.621 50 20 CBGD Cc1ccncc1CNC(=O)NNC(=O)C(=O)O 1600605662 ZBBVZMMNHUBHJB-UHFFFAOYSA-N 252.230 -0.695 50 20 CBGD O=C(O)c1cc(C=NNC(=O)N2CCOCC2)on1 1602254587 CZHFWMJFERXPBI-UHFFFAOYSA-N 268.229 -0.252 50 20 CBGD O=C(O)c1cccc(C(=O)N2CC[C@H](B(O)O)C2)n1 1602432579 WMQSTYGNKFXQRU-ZETCQYMHSA-N 264.046 -0.531 50 20 CBGD Cc1ccc(CCNC(=O)NNC(=O)C(=O)O)nc1 1607776856 FWKVVYFSNHYSNM-UHFFFAOYSA-N 266.257 -0.652 50 20 CBGD O=C(NCc1cn2ccsc2n1)NNC(=O)C(=O)O 1608473812 QTUXZHPRRYFFCC-UHFFFAOYSA-N 283.269 -0.689 50 20 CBGD CNC(=O)NNC(=O)Cc1ccc2c(c1)OCCO2 56371315 DJTVRSUNKFKULM-UHFFFAOYSA-N 265.269 -0.040 50 20 CBGD CS(=O)(=O)NCCC(=O)NNc1ccc(C#N)cc1 178944578 VDVXUJOSGCXBDV-UHFFFAOYSA-N 282.325 -0.059 50 20 CBGD CO[C@H](C)CS(=O)(=O)NNC(=O)c1cccn1C 193113500 PNCOGDOJBMFJOX-MRVPVSSYSA-N 275.330 -0.376 50 20 CBGD CCS(=O)(=O)CCCOc1ccc(B(O)O)cc1 203572317 KSLKVXSIRMSXEN-UHFFFAOYSA-N 272.131 -0.430 50 20 CBGD O=C(COc1ccc(F)cc1)NNC(=O)[C@@H]1COCCO1 298425234 MLBDIQLHIKABCN-NSHDSACASA-N 298.270 -0.233 50 20 CBGD COC(=O)NC(C)(C)C(=O)NNC(=O)c1cnn(C)c1 491509664 QEBRQUTYCRFTRI-UHFFFAOYSA-N 283.288 -0.684 50 20 CBGD C[C@@H]1CN(C)CCN1C(=O)c1cc(B(O)O)ccc1F 584942522 SHPZSGJEXISERG-SECBINFHSA-N 280.108 -0.718 50 20 CBGD CCN1CCC[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 584942894 ZEXBUXKAKYFIOZ-LLVKDONJSA-N 294.135 -0.280 50 20 CBGD CCCCN(C)CCNC(=O)c1ccc(B(O)O)c(F)c1 584944378 LCALIVAFGRWMMM-UHFFFAOYSA-N 296.151 -0.033 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCCC[C@H](CO)C1 584964188 ILBZPLREZQFFQL-NSHDSACASA-N 277.129 -0.399 50 20 CBGD C[C@@]1(CO)CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584964542 GEJKZFJGLAOKBX-CQSZACIVSA-N 277.129 -0.399 50 20 CBGD C[C@@H](CO)N(CC1CCC1)C(=O)c1ccc(B(O)O)cc1 584973840 KFTFOVRJKRQZPT-NSHDSACASA-N 291.156 -0.011 50 20 CBGD C=CC[C@@H](CO)NC(=O)c1ccc(B(O)O)c(F)c1 584985627 OXVPSUQPLXJBEW-VIFPVBQESA-N 267.065 -0.828 50 20 CBGD Cc1cnn([C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C2)c1 584990776 KDQRTUSTXCSUKH-AWEZNQCLSA-N 299.139 -0.041 50 20 CBGD O=C(NCCOCC1CCC1)c1ccc(B(O)O)cc1 585003809 QRJDMPNJBPTXBT-UHFFFAOYSA-N 277.129 -0.087 50 20 CBGD C[C@H](Cn1ccnc1)NCc1ccc(B(O)O)cc1F 585017757 KHWYPHWWLNBKOS-SNVBAGLBSA-N 277.108 -0.120 50 20 CBGD OB(O)c1ccc(CNCCCO[C@H]2CCOC2)cc1 585030791 ISKSBONPLXMWIG-AWEZNQCLSA-N 279.145 -0.348 50 20 CBGD CCOC[C@@H](C)CS(=O)(=O)N1CC[C@@H](B(O)O)C1 585056783 WWYUUXAAXQJSMW-NXEZZACHSA-N 279.167 -0.463 50 20 CBGD CCCC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](B(O)O)C1 585072202 JTLBGIXOLCCXRB-MNOVXSKESA-N 282.149 -0.147 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H]2CNC[C@@H]2C1 732198398 PHJLBQDTPVUZNY-LPEHRKFASA-N 254.334 -0.917 50 20 CBGD CCCCNC(=O)NNC(=O)c1nnn(C)c1C 741676122 NECDABVMHGBRCU-UHFFFAOYSA-N 254.294 -0.132 50 20 CBGD C[C@@H]1C(=O)NCCN1CC(=O)NNC(=O)C(C)(C)C 744396887 VLDGQJMVQWXGKN-MRVPVSSYSA-N 270.333 -1.000 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)CN2CC[C@H](O)C2)cc1 744399033 DKKWGEDXOBYMSV-LBPRGKRZSA-N 288.307 -0.614 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@@H](C)CCN1CCN(C)CC1 770590406 MWGBDJCBNQZXCT-LBPRGKRZSA-N 299.419 -0.001 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)c2ccc(C#N)cc2)C1=O 772603298 REIQPBMEAZIKLU-LLVKDONJSA-N 286.291 -0.202 50 20 CBGD CC(C)C(=O)NNC(=O)CCc1nc(N(C)C)no1 779724154 FXHHPBZOEHZJJW-UHFFFAOYSA-N 269.305 -0.128 50 20 CBGD Cn1ncc(C(=O)NNC(=O)COCc2ccccc2)n1 786196569 IPOYRHMIMCMABW-UHFFFAOYSA-N 289.295 -0.207 50 20 CBGD Cn1ncc(C(=O)NNC(=O)Cc2cn3ccccc3n2)n1 786274859 WJNLJYJTFTXTLU-UHFFFAOYSA-N 299.294 -0.534 50 20 CBGD COCCO[C@@H](C)C(=O)NN=C1C(=O)OC[C@H]1C 794914734 JAJIOFBCDWEYRM-SFYZADRCSA-N 258.274 -0.297 50 20 CBGD Cn1cnn(CC(=O)NNc2ncccc2F)c1=O 804218061 ODESUXDEMZNBDD-UHFFFAOYSA-N 266.236 -0.741 50 20 CBGD NC(=O)NN=Cc1ccc(Cl)c(S(N)(=O)=O)c1 814686632 TWDRGOFUWJTPEQ-UHFFFAOYSA-N 276.705 -0.010 50 20 CBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NN(C)C1CC1 819647866 SLEJXQJIIBHQIP-LLVKDONJSA-N 282.344 -0.761 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](n2ccnn2)C1 823469563 XYAOWESWLSWZMF-MNOVXSKESA-N 294.359 -0.139 50 20 CBGD O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H]1COCCO1 826447996 DGGNTIRHKJZXBT-SNVBAGLBSA-N 290.283 -0.275 50 20 CBGD CC[C@@H](CO)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 827272647 BGXBCTWVCVCJSM-HRDYMLBCSA-N 259.306 -0.487 50 20 CBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)C(=O)N2CCCC2)CO1 828427137 JDNOCZZLAWQALZ-BDAKNGLRSA-N 284.316 -0.883 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCC[C@@H]2COC[C@@H]21 839193281 RMQZPFHBQMINSG-MNOVXSKESA-N 269.345 -0.099 50 20 CBGD CC(C)OC(=O)NN=Cc1cn(CC(=O)O)nn1 842565247 VCKQPBXHXPLXLO-UHFFFAOYSA-N 255.234 -0.169 50 20 CBGD COc1cnc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)nc1 843657468 CULIHKGSQFLOCW-VXNVDRBHSA-N 280.284 -0.329 50 20 CBGD Cc1cn(C)nc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843662445 SQTROMLKHDMJAY-IUCAKERBSA-N 266.301 -0.085 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1c[nH]nc1[N+](=O)[O-] 843972595 VBBSLJSODYPJHU-PHDIDXHHSA-N 283.244 -0.496 50 20 CBGD COCCCNC(=O)NNC(=O)c1cnc2cccnn12 845297573 AOGFCDWRENWFRD-UHFFFAOYSA-N 292.299 -0.290 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@H]1CCCS1(=O)=O 846786494 SHXKUBQWBPOSCI-SECBINFHSA-N 285.325 -0.637 50 20 CBGD NC[C@@H]1CN(S(=O)(=O)CBr)CCO1 850586368 QGPXWVCCGSHKCP-ZCFIWIBFSA-N 273.152 -0.672 50 20 CBGD CNC(=O)NCCC(=O)NNC(=O)c1cccc(F)n1 856427122 PRXPMDIPKSMSNT-UHFFFAOYSA-N 283.263 -0.699 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCOCC2CCC2)N1 858363066 NSXHBUKSBRMDCQ-JTQLQIEISA-N 298.343 -0.588 50 20 CBGD C[C@H](COCC1CC1)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858588647 LOELKLAWKFBGPO-PSASIEDQSA-N 298.343 -0.590 50 20 CBGD N#Cc1ccc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 862452639 GGJMFTOZCACPIL-LLVKDONJSA-N 286.291 -0.473 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1CC=CCC1 863458729 FBNOCYTXAMLAOO-QMMMGPOBSA-N 260.315 -0.465 50 20 CBGD CC/C(C)=C(\C)C(=O)NNC(=O)CS(C)(=O)=O 863464036 DTHQCXYYZJKLNN-BQYQJAHWSA-N 262.331 -0.075 50 20 CBGD CCC[C@@](C)(NC(=O)c1cccc(B(O)O)c1)C(=O)OC 863871302 IMCMPBABOXGOKQ-CQSZACIVSA-N 293.128 -0.172 50 20 CBGD C#C[C@@H](NCc1ccccc1B(O)O)[C@@H]1CCCO1 863890842 FPSSCCLINWHGCR-KGLIPLIRSA-N 259.114 -0.363 50 20 CBGD C[C@H]1[C@@H](C)N(C)C(=O)[C@@H](C)N1CC(=O)NNC(=O)C1CC1 878751741 BXBYCNIERABPGX-KXUCPTDWSA-N 296.371 -0.517 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@@H]1CCNC(=O)C1 899996808 UDAUCJAAGZZEMM-SSDOTTSWSA-N 272.374 -0.194 50 20 CBGD O=C(CNC(=O)N1CCCC1)NNc1ncccn1 900112176 TWLYGGUCTISXPQ-UHFFFAOYSA-N 264.289 -0.275 50 20 CBGD CC[C@H](O)[C@@H](C)C(=O)NNC(=O)N1CCOCC1 900426741 KPJSREJFNOBPND-BDAKNGLRSA-N 259.306 -0.534 50 20 CBGD O=C(CCc1cn[nH]c1)NNC(=O)N1CCOCC1 900426785 LICUDDWLQYDHCS-UHFFFAOYSA-N 267.289 -0.585 50 20 CBGD CO[C@H](C(=O)NN(C)C[C@H](C)O)c1cnn(C)c1 910150389 QTHQSDUKAIXDFA-WPRPVWTQSA-N 256.306 -0.549 50 20 CBGD CCN(CCO)NC(=O)CNC(=O)N1CCCC1 911441491 ZEFAWZQLOYEVGB-UHFFFAOYSA-N 258.322 -0.863 50 20 CBGD O=C(CCC(=O)N1CCOCC1)NNC(=O)C1CCCC1 914848805 AVNBQIKXSZQWDJ-UHFFFAOYSA-N 297.355 -0.037 50 20 CBGD O=C1CSC[C@@H](C(=O)NNc2ncccn2)N1 929895953 HOIMXHQDJWNSCZ-LURJTMIESA-N 253.287 -0.849 50 20 CBGD O=C(NCc1cccc(F)n1)NNC(=O)C(=O)NC1CC1 1116350366 YDGGYKRSCWJCCI-UHFFFAOYSA-N 295.274 -0.670 50 20 CBGD Cn1ccnc(NNC(=O)CC[C@]2(C)CCC(=O)N2)c1=O 1116554027 CTBDIVXAEFBLLS-ZDUSSCGKSA-N 293.327 -0.328 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 1117634874 DPVHXRHZMDOETC-UHFFFAOYSA-N 294.242 -0.570 50 20 CBGD Cc1c(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cnn1C 1118186591 HGKYXGWEQNLYQX-KOLCDFICSA-N 295.343 -0.016 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)C[C@@H]2CC(=O)N2)n1 1118752778 PCUWWXLEWRXRIH-BYPYZUCNSA-N 270.680 -0.566 50 20 CBGD CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)N1CCOCC1 1120683259 FEZBFLWCWYCXAO-UWVGGRQHSA-N 271.317 -0.126 50 20 CBGD C[C@@H]1CCOCCN1C(=O)NNC(=O)c1cccnn1 1122107122 YPICTDPTAXVKPO-SECBINFHSA-N 279.300 -0.058 50 20 CBGD COc1cc(C(=O)NNC(=O)C(=O)NC2CC2)ccn1 1317873655 QBTBOALULMUWGW-UHFFFAOYSA-N 278.268 -0.870 50 20 CBGD Cc1noc(C)c1CC(=O)NNC(=O)Cc1cc[nH]n1 1318333913 XWBQWWYTWCMPKM-UHFFFAOYSA-N 277.284 -0.053 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ncoc1[C@@H]1CCCO1 1318516880 GBZLYJOVJNJFCJ-QMMMGPOBSA-N 282.300 -0.151 50 20 CBGD CC(=O)N1CCC[C@@H](C(=O)NNc2nccn(C)c2=O)C1 1318918293 HVABVCVCERGXDQ-SNVBAGLBSA-N 293.327 -0.518 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cncc(OC)c1 1321198527 CXZZFROXXGNLJA-UHFFFAOYSA-N 260.275 -0.788 50 20 CBGD CC(C)NC(=S)NNC(=O)c1coc(C(N)=O)c1 1323861317 FUVMGVDNZHTESC-UHFFFAOYSA-N 270.314 -0.104 50 20 CBGD COc1cc(F)c(NC(=O)C(=O)NNC(C)=O)cc1OC 1325506473 PUINOYUJRXEIEV-UHFFFAOYSA-N 299.258 -0.051 50 20 CBGD CCn1cc(NC(=O)C(=O)NNC(=O)C2CCC2)cn1 1325520250 WDNLGIDNYHKJFL-UHFFFAOYSA-N 279.300 -0.211 50 20 CBGD Cc1nn(-c2ccccc2)c(N)c1C=NNC(=O)C(N)=O 1325846964 VPYYFAFTIVWJGJ-UHFFFAOYSA-N 286.295 -0.302 50 20 CBGD CCOC(=O)c1cc(C=NNC(=O)CCO)[nH]n1 1326205113 YEPXGRKOOTWNBJ-UHFFFAOYSA-N 254.246 -0.581 50 20 CBGD NC(=O)[C@@H](NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(F)cc1 1329207845 SCBXMILGBZZPOL-ONGXEEELSA-N 294.286 -0.749 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C[C@@H]1CCC(=O)N1 1330836781 LEDIAJBAEAQHBS-ZETCQYMHSA-N 265.273 -0.852 50 20 CBGD O=C(C[C@H]1CCCOC1)NNC(=O)[C@@H]1CCC(=O)N1 1331692235 VWNQUZYMHRWBAO-BDAKNGLRSA-N 269.301 -0.771 50 20 CBGD O=C(Cc1cscn1)NNC(=O)[C@@H]1CCC(=O)N1 1331882141 UETUWGUWTNXOIG-ZETCQYMHSA-N 268.298 -0.888 50 20 CBGD COCCn1cc(C=NNC(=O)C(=O)OC)cn1 1339879251 PZLFPSWQSNLDAO-UHFFFAOYSA-N 254.246 -0.847 50 20 CBGD CN1C[C@@H](NC(=O)NNc2ncncc2F)CC1=O 1342400298 ZDPQRDJTOJAXGC-LURJTMIESA-N 268.252 -0.528 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](S(C)(=O)=O)C1 1344611915 RVHDONMJONTLQD-RKDXNWHRSA-N 291.373 -0.949 50 20 CBGD Cn1nncc1C(=O)NNC(=O)NCC(F)(F)F 1344706713 NSDFBDQXUGLMAX-UHFFFAOYSA-N 266.183 -0.679 50 20 CBGD COC(=O)c1cnc(C(=O)NNc2ncncc2F)cn1 1347803660 BVAGQQFZRSQIIE-UHFFFAOYSA-N 292.230 -0.051 50 20 CBGD CNc1nc(C)cc(C(=O)N2CC[C@@H](B(O)O)C2)n1 1348490039 KWZDQBKDCIDUIH-MRVPVSSYSA-N 264.094 -0.484 50 20 CBGD CN(N)C(=O)[C@H](CO)NC(=O)OCc1ccccc1 1573877188 HFWQLDBOHYIKDR-JTQLQIEISA-N 267.285 -0.394 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@]12CNC[C@@H]1COC2 1575723115 VPMNLGQUIBOTQD-LDYMZIIASA-N 272.374 -0.874 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)c2cn[nH]c2)CCN1 1579471126 DXJDCGBOZXRINE-HTQZYQBOSA-N 251.290 -0.441 50 20 CBGD O=C(NNC(=O)c1cccnn1)N[C@H]1C[C@H]2CC[C@@H]1N2 1580737064 JCAFNQYMRVLPFA-WEDXCCLWSA-N 276.300 -0.687 50 20 CBGD Cn1cc(C(=O)NNC(=O)N[C@H]2C[C@H](C(=O)O)C2)cn1 1594530179 CRWBIZYTIGKBEJ-FKQCQYRASA-N 281.272 -0.773 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1594643459 GLANZYQVRLBANS-MAUMQABQSA-N 286.284 -0.809 50 20 CBGD O=C(O)c1cc(C(=O)NNC(=O)c2ccccn2)[nH]n1 1594782703 HSAIMOAWICIFNA-UHFFFAOYSA-N 275.224 -0.422 50 20 CBGD O=C(O)c1cnc(C(=O)NNC(=O)C2CCOCC2)cn1 1595267025 YTERAQHATSFROZ-UHFFFAOYSA-N 294.267 -0.638 50 20 CBGD O=C(CCc1nn[nH]n1)NNc1ncccc1C(=O)O 1605689376 JWZJECWKTXFLJO-UHFFFAOYSA-N 277.244 -0.631 50 20 CBGD O=C(N[C@]1(C(=O)O)CCSC1)c1cccc(B(O)O)c1 1608406298 RNCRXTXFPSJXDS-GFCCVEGCSA-N 295.125 -0.944 50 20 CBGD O=C(CN1C[C@@H]2CNC[C@H]2C1)NNC(=O)c1cccs1 107855716 SMDLQGUXKVFHEW-UWVGGRQHSA-N 294.380 -0.340 50 20 CBGD C[C@@H]1C[C@H]1C(=O)NNC(=O)CNC(=O)c1cccnc1 122263624 VFGQHHFLQCDEKE-PSASIEDQSA-N 276.296 -0.385 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CO)c1[N+](=O)[O-] 180961123 OHTIDNVCRMHIDK-UHFFFAOYSA-N 253.214 -0.343 50 20 CBGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NN)C2=O)cc1 270204303 HBJPWLHSTOPVCY-CYBMUJFWSA-N 292.295 -0.548 50 20 CBGD CCS(=O)(=O)NCC(=O)NNc1ccnc(F)c1 272885165 YOXKNYAJOAITAI-UHFFFAOYSA-N 276.293 -0.397 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)/C=C/c1ccn(C)c1 276950201 XEROENOTFAEIFV-SNAWJCMRSA-N 278.312 -0.290 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ncc(F)cc1F 277928610 JLEZPLQTAZDRTQ-UHFFFAOYSA-N 259.212 -0.108 50 20 CBGD COC[C@@H](CO)NC(=O)NNC(=O)c1ccccc1OC 279771994 BKKZOCHGGUKRRK-SECBINFHSA-N 297.311 -0.354 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cccc(O)c1O 280716591 TZZHWOBBZCBCMA-UHFFFAOYSA-N 253.258 -0.580 50 20 CBGD C[C@H]1C[C@@H](O)CN1CC(=O)NNC(=O)c1cccs1 384973970 TWLYUYSHNOGUBN-DTWKUNHWSA-N 283.353 -0.036 50 20 CBGD CC(CO)(CO)CNS(=O)(=O)CCCCCl 393896767 NALYTOKDWCOKRU-UHFFFAOYSA-N 273.782 -0.084 50 20 CBGD CC(C)(C)OC(=O)NCCCCC(=O)NNC(=O)CO 495266095 QWMPMBMJXJPMOE-UHFFFAOYSA-N 289.332 -0.179 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1NC(=O)O[C@H]1C 496316020 YDYQFEZPDYXMFB-NTSWFWBYSA-N 267.245 -0.575 50 20 CBGD CN1CCC[C@@H](N(C)C(=O)c2cccc(B(O)O)c2)C1 584950956 MIGWFNAAJOJUFY-CYBMUJFWSA-N 276.145 -0.467 50 20 CBGD O=C(NC[C@]1(O)CCSC1)c1ccc(B(O)O)c(F)c1 584956648 FRFBLDAEKKPULE-GFCCVEGCSA-N 299.132 -0.897 50 20 CBGD CN1C[C@H]2CN(C(=O)c3cccc(B(O)O)c3)C[C@H]2C1 584982257 MRNCFEBXQDCLCL-TXEJJXNPSA-N 274.129 -1.000 50 20 CBGD O=C(N[C@H](CO)CC1CCC1)c1ccc(B(O)O)c(F)c1 584992524 OOBXIZQLKJMJQA-NSHDSACASA-N 295.119 -0.214 50 20 CBGD O=C(N[C@H]1CCC[C@H]1F)c1cccc(B(O)O)c1 584995678 XLRRIRCZHSFOPT-MNOVXSKESA-N 251.066 -0.013 50 20 CBGD O=C(NC[C@@H](O)C1CCC1)c1cccc(B(O)O)c1 584998289 DWIFFAUFTNGAFE-GFCCVEGCSA-N 263.102 -0.743 50 20 CBGD CC(C)NC(=O)[C@@H](C)NC(=O)c1cccc(B(O)O)c1 584999250 DXCCAHIWPAWPMO-SECBINFHSA-N 278.117 -0.991 50 20 CBGD C[C@](O)(CNCc1ccc(B(O)O)o1)c1ccccc1 585024155 UTHSSHBKPOLAAK-AWEZNQCLSA-N 275.113 -0.043 50 20 CBGD O=C(NCB(O)O)c1cn(-c2ccc(Cl)cc2)nn1 585061702 DZPFRIHAWSUPDS-UHFFFAOYSA-N 280.480 -0.338 50 20 CBGD CC(C)(C(=O)NNC(=O)C1CCC1)S(C)(=O)=O 733154367 DHMWZWDPGOLYAM-UHFFFAOYSA-N 262.331 -0.243 50 20 CBGD O=C(NNC(=O)[C@H]1CC12CCCC2)C(=O)NC1CC1 747350712 VJOPRSVYWMKREF-SECBINFHSA-N 265.313 -0.007 50 20 CBGD O=C(CO)NNC(=O)c1cccc(C2OCCO2)c1 753442465 HCBPTIRRFWJUDC-UHFFFAOYSA-N 266.253 -0.515 50 20 CBGD CCc1cccc(CC)c1NC(=O)C(=O)NNC(=O)CO 764427982 ALURPRPUTVLHNW-UHFFFAOYSA-N 293.323 -0.110 50 20 CBGD Cc1c(F)cccc1NC(=O)C(=O)NNC(=O)CO 764429859 ORHFMPGPFHYDMF-UHFFFAOYSA-N 269.232 -0.788 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccc(C)nc1N(C)C 765374731 XLNOOOLLAVLXRF-UHFFFAOYSA-N 295.299 -0.218 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2nonc2C)n[nH]1 768276779 IADFVKLEEJFSOQ-UHFFFAOYSA-N 250.218 -0.516 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)[C@@H](C)CN1C 768765066 REGVJURTLKEVQT-UWVGGRQHSA-N 268.361 -0.432 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@@H](C)[C@H]1CN(C)CCO1 770124244 PRTGAPFHHQPAKU-VHSXEESVSA-N 272.349 -0.308 50 20 CBGD CC(C)[C@@](C)(O)C(=O)NNC(=O)CNC(=O)c1ccco1 771300535 ACENYSJSIVNJIJ-CYBMUJFWSA-N 297.311 -0.436 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](CC)OC 772064508 NPDNIGDGOJLPJZ-JGVFFNPUSA-N 260.290 -0.100 50 20 CBGD O=C(NNC(=O)[C@H]1COCCN1CC(F)(F)F)C1CC1 773706589 IJJCKKLGCUBJCX-MRVPVSSYSA-N 295.261 -0.193 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNc1cccnn1 775606069 QPYZZXTXSSCVKQ-SECBINFHSA-N 251.290 -0.360 50 20 CBGD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NNC(=O)C1CCCC1 779500961 ZSQVHIJXGCGWRK-KWQFWETISA-N 297.355 -0.400 50 20 CBGD NC(=O)C1(NS(=O)(=O)CCCCCl)CCOCC1 780814168 MHHOTSYAXBDDSS-UHFFFAOYSA-N 298.792 -0.041 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H](C)c1nnnn1C1CC1 790725815 WVHNIRMISZCKFM-ZETCQYMHSA-N 297.319 -0.564 50 20 CBGD COCCCOCC(=O)NNC(=O)N1CCN(C)CC1 807380827 SBYMMSARIZXFLN-UHFFFAOYSA-N 288.348 -0.972 50 20 CBGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1c[nH]nc1C 814816002 LILCACPAFJUGGX-SECBINFHSA-N 299.356 -0.072 50 20 CBGD Cc1nnc(NNC(=O)[C@@](C)(C#N)CC(=O)O)nc1O 821225014 QLERSQLOLTTWHP-SNVBAGLBSA-N 280.244 -0.667 50 20 CBGD CN1C(=O)CS/C1=C/C(=O)NNC(=O)[C@@H]1CCCCO1 823236593 BXDSQVHKLLGFGJ-KIFNTFBYSA-N 299.352 -0.251 50 20 CBGD CCNC(=O)NNC(=O)C[C@@H](C(C)=O)C(=O)OCC 823799688 SEFMWHNMRBXSBE-QMMMGPOBSA-N 273.289 -0.505 50 20 CBGD CN1C(=O)CC[C@H](NC(=O)NNc2ncncc2F)C1=O 823905775 LITFRKGYAHDUBP-ZETCQYMHSA-N 296.262 -0.611 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCc1cn[nH]c1 826822726 DPTRFEGFSRPRFC-WCBMZHEXSA-N 281.316 -0.292 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2ccc(C(=O)O)nc2)n[nH]1 832864499 JXJNEDACFMKIJH-UHFFFAOYSA-N 289.251 -0.114 50 20 CBGD COC[C@H](OC)C(=O)NNc1nc2ccccn2n1 834351164 ILGQCWKGMAWMHR-QMMMGPOBSA-N 265.273 -0.166 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc([N+](=O)[O-])n[nH]1 843972897 WCAPHDFDCOCPDC-RITPCOANSA-N 283.244 -0.496 50 20 CBGD CO[C@@H](CS(=O)(=O)NNC(=O)c1cc[nH]n1)C(C)C 849310620 HMHHTMWXVKDBHY-VIFPVBQESA-N 290.345 -0.355 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H](O)c1ccccn1 854920966 WVUYRQHDZBECQA-MRVPVSSYSA-N 254.315 -0.418 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H](O)c2cnn(C)c2)n1 857459386 LCGISMMRXSCURQ-SNVBAGLBSA-N 292.299 -0.296 50 20 CBGD CO[C@@H](C)CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858194798 KLIDKKUBAXMARG-JGVFFNPUSA-N 272.305 -0.980 50 20 CBGD COC(=O)c1cc(S(=O)(=O)NN(C)C(=O)OC)on1 859152472 OFURZIIJZDMDSR-UHFFFAOYSA-N 293.257 -0.647 50 20 CBGD Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCNC2)n1 861707725 DZIKXGUHKBWOFU-SECBINFHSA-N 263.301 -0.304 50 20 CBGD CCCc1nc(C(=O)NNC(=O)CS(C)(=O)=O)co1 863464975 NQNGKCUDLWTSOI-UHFFFAOYSA-N 289.313 -0.567 50 20 CBGD C=CCNC(=S)NNC(=O)c1cnn(CCOC)c1 864457433 SPPQQIVNNSQBGQ-UHFFFAOYSA-N 283.357 -0.176 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@]1(C)CC1(F)F 869904754 BWWSQIQUQPVPRM-SECBINFHSA-N 266.244 -0.158 50 20 CBGD COC(=O)[C@@H]1[C@@H](O)CCCN1S(=O)(=O)CCCCl 882105044 QZEHWKGERDOHSN-IUCAKERBSA-N 299.776 -0.057 50 20 CBGD CN1C[C@H](NC(=O)[C@@]2(C)C[C@H]2Br)C(=O)N1 907221755 XZLNKTAGCZMNAS-MYINAIGISA-N 276.134 -0.379 50 20 CBGD CCCCNC(=O)NNC(=O)CCN1CCOCC1 915878643 ZYIIPDCCIDGZJX-UHFFFAOYSA-N 272.349 -0.161 50 20 CBGD CNC(=S)NNC(=O)[C@@H](C)CN1CCOCC1 916117689 HXMZWLNXWJDBPF-QMMMGPOBSA-N 260.363 -0.920 50 20 CBGD NC(=O)C(=O)NNC(=O)Cc1ccc(Cl)cc1 917358626 GMXSZZCGFXHESM-UHFFFAOYSA-N 255.661 -0.485 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)OCC1CC1 920818419 PRYIKTFNMFTIRO-MRVPVSSYSA-N 271.317 -0.527 50 20 CBGD C[C@H](C#N)Oc1ccc(C=NNC(=O)C(N)=O)cc1 1115966635 XKKHAVRWBIOABY-MRVPVSSYSA-N 260.253 -0.087 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1c(C)noc1C 1116620540 DRQAPJGPERUTAK-UHFFFAOYSA-N 284.272 -0.586 50 20 CBGD C[C@]1(NNC(=O)NCc2cc[nH]n2)CCS(=O)(=O)C1 1317870746 FAHGCNOFXLMAJU-JTQLQIEISA-N 287.345 -0.709 50 20 CBGD O=C(NNc1cccnn1)[C@H]1CCc2nnnn2CC1 1328709742 IOHURGHWUFAJKI-QMMMGPOBSA-N 274.288 -0.441 50 20 CBGD CN(C)N(C(=O)Cc1cnc[nH]1)[C@H]1CCS(=O)(=O)C1 1334156492 REACBISYSXFECT-JTQLQIEISA-N 286.357 -0.556 50 20 CBGD C[C@@H]1COCCCN1C(=O)NNC(=O)c1cccnn1 1336947725 MLENWDAVAYIFTP-SECBINFHSA-N 279.300 -0.058 50 20 CBGD Cn1cnc(/C=C\C(=O)NNC(=O)CN2CCCC2=O)c1 1342486079 AVFUPQAAYCPPMN-PLNGDYQASA-N 291.311 -0.797 50 20 CBGD CCONC(=O)CNC(=O)NNC(=O)c1ccc[nH]1 1346183552 UGXZDKDSVTWHHT-UHFFFAOYSA-N 269.261 -0.974 50 20 CBGD NOCC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1 1580358275 CRICIUBDKUTLCG-UHFFFAOYSA-N 275.268 -0.272 50 20 CBGD CC(C)(O)C(=O)NNC(=O)Cc1ccc(C(=O)O)nc1 1590882860 RHYPYAINJWULLJ-UHFFFAOYSA-N 281.268 -0.759 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cccc(C(=O)O)c2)nn1 1594530209 FHRNMQSNCZMVMZ-UHFFFAOYSA-N 289.251 -0.412 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1[C@H]2CC[C@H]1[C@@H](C(=O)O)C2 1594712385 JWHASDSPKKAGPQ-XKNYDFJKSA-N 283.328 -0.130 50 20 CBGD CCC(=O)NNC(=O)Nc1cc(C(=O)O)nn1C 1594712506 PHEDOGXJEUVNOQ-UHFFFAOYSA-N 255.234 -0.319 50 20 CBGD O=C(O)CN1CCC(NCc2ccccc2B(O)O)CC1 1595079565 PCFITMTTZZYFQN-UHFFFAOYSA-N 292.144 -0.995 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1)c1cccnc1 1601556264 UTGHPPJXMKQTGD-BDAKNGLRSA-N 279.252 -0.525 50 20 CBGD O=C(O)Cc1occc1C(=O)NNC(=O)[C@H]1COCCO1 1602155573 VKGVMOLODRSXHH-SECBINFHSA-N 298.251 -0.917 50 20 CBGD CC(=O)NN=Cc1ccc(S(=O)(=O)NCC(=O)O)cc1 1776015160 MAWRMGKYECTKHI-UHFFFAOYSA-N 299.308 -0.481 50 20 CBGD CCNC(=O)NNC(=O)c1cccc(C(=O)OC)n1 49164612 DEVKKHISQFDPLV-UHFFFAOYSA-N 266.257 -0.168 50 20 CBGD CC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)nc1 49206694 OGAFJLHZLRVLAQ-UHFFFAOYSA-N 272.286 -0.342 50 20 CBGD O=C(NNc1cccnn1)N[C@H]1CCCCNC1=O 77350478 XBCORFUKLQMIIE-QMMMGPOBSA-N 264.289 -0.229 50 20 CBGD CN(CC1(O)CCOCC1)S(=O)(=O)CCl 167196017 AINIQJHUGZQSAG-UHFFFAOYSA-N 257.739 -0.014 50 20 CBGD C[C@H](C(=O)NNC(=O)C(C)(C)O)N(C)CC(F)(F)F 194168015 NTQQQWHEOQUTPP-ZCFIWIBFSA-N 285.266 -0.213 50 20 CBGD Cc1cc(C)n2nc(C(=O)NNC(=O)CN(C)C)nc2n1 265078297 PODPNELUCQOSRW-UHFFFAOYSA-N 291.315 -0.936 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)C(=O)N1CCCC1 269390518 LFCKLIAJRSMOJO-SECBINFHSA-N 269.301 -0.675 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H](O)c1cccnc1 272677323 MKJMOMLUZUZENS-VIFPVBQESA-N 252.274 -0.193 50 20 CBGD COC(=O)c1cc(S(=O)(=O)NNC(C)=O)c(C)o1 274729951 HZUYONSQTJSBCV-UHFFFAOYSA-N 276.270 -0.296 50 20 CBGD CC1(C)CN(C(=O)c2cccc(B(O)O)c2)CCN1 584957820 RTHBXDAXOBQUJE-UHFFFAOYSA-N 262.118 -0.810 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCSC[C@@H]1CCO 584964150 HYEWWRDTDGMFLO-LBPRGKRZSA-N 295.169 -0.694 50 20 CBGD CC(C)C[C@@H](CO)NC(=O)c1cc(B(O)O)ccc1F 584967405 UYZYCEAKWGTTGQ-JTQLQIEISA-N 283.108 -0.358 50 20 CBGD O=C(N[C@H](CO)CC(F)F)c1cccc(B(O)O)c1 584982874 NHARPAPSOSNRSW-VIFPVBQESA-N 273.044 -0.888 50 20 CBGD C[C@@H]1NC(=O)CC[C@@H]1CNC(=O)c1ccc(B(O)O)cc1 585002493 XBMAEBIZGSICGX-GXSJLCMTSA-N 290.128 -0.989 50 20 CBGD Cc1nc2n(n1)C[C@@H](NCc1cccc(B(O)O)c1)CC2 585019888 JDCPVPKWBVMEHF-ZDUSSCGKSA-N 286.144 -0.629 50 20 CBGD CC(C)[C@@](C)(O)CNCc1ccccc1B(O)O 585024527 YTSAFRISHKEQEC-ZDUSSCGKSA-N 251.135 -0.137 50 20 CBGD CCOC1CC(O)(CNCc2ccccc2B(O)O)C1 585039323 SGMMXKTWVMARCJ-UHFFFAOYSA-N 279.145 -0.614 50 20 CBGD C[C@H]1C[C@@H](NCc2ccc(B(O)O)o2)c2nccn21 585044467 JLSZLAREQQKQDD-WCBMZHEXSA-N 261.090 -0.049 50 20 CBGD Cc1cc(C(=O)NCB(O)O)c(N)c([N+](=O)[O-])c1 585059259 GWBBUKHCSVDOKK-UHFFFAOYSA-N 253.023 -0.773 50 20 CBGD C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](B(O)O)C2)C1 585066532 PQEKCDREHXNAAQ-VHSXEESVSA-N 268.122 -0.680 50 20 CBGD CNC(=O)[C@H]1CCCN1[C@H](C)C(=O)NNC(=O)CC(C)C 732198547 WITDNTJKFUKPSQ-GHMZBOCLSA-N 298.387 -0.221 50 20 CBGD CC(C)N1CC[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)C1=O 734219283 QRQMFYJFYJWCPI-SNVBAGLBSA-N 293.327 -0.032 50 20 CBGD CCCCOCC(=O)NNC(=O)N1CCOCC1 735656300 LUSBIDJRGQQWCZ-UHFFFAOYSA-N 259.306 -0.124 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 748273423 GFFOGTQGUPOXDB-JTQLQIEISA-N 298.320 -0.818 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@@H]2CCC(=O)N2C)nc1 752681614 ZMBLBWFLSKUPIS-VIFPVBQESA-N 292.295 -0.068 50 20 CBGD CSCCC=NNC(=O)[C@@H](C)NS(C)(=O)=O 755700037 VGECFDADTVTSIJ-SSDOTTSWSA-N 267.376 -0.221 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)C)[C@]1(CO)CCOC1 763888829 RWLRIGQJRZGGCL-ZDUSSCGKSA-N 287.360 -0.737 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccccc1F 764325686 QUCAKKSWWGHHNC-UHFFFAOYSA-N 283.259 -0.052 50 20 CBGD COc1cc(C(C)=NNC(=O)C(N)=O)cc([N+](=O)[O-])c1O 764659597 XKQBPVQDKABCTL-UHFFFAOYSA-N 296.239 -0.366 50 20 CBGD NC(=O)NC1(C(=O)NNC(=O)c2ccccn2)CC1 767186251 KYAGBGQTUSOZHW-UHFFFAOYSA-N 263.257 -0.957 50 20 CBGD COC[C@@H](C)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 770325861 SPGYJIBQGHYRPU-SCZZXKLOSA-N 279.362 -0.598 50 20 CBGD CCNC(=O)NNC(=O)CCCNC(=O)c1cccnc1 772222707 TXOKTKHJJWAZDB-UHFFFAOYSA-N 293.327 -0.058 50 20 CBGD Cn1[nH]cnc1=NC(=O)NNc1ccc(Cl)nn1 774050529 QOKYXMMUQYQRIV-UHFFFAOYSA-N 268.668 -0.171 50 20 CBGD CCc1noc(CCCC(=O)NN(C)C(N)=O)n1 778412856 SWLMMSSRDFCMAE-UHFFFAOYSA-N 255.278 -0.004 50 20 CBGD O=C(CC(=O)NNc1ncccn1)NCC(F)(F)F 779652472 GYZDCAXJRXRYOQ-UHFFFAOYSA-N 277.206 -0.012 50 20 CBGD Cn1ccc(CC(=O)NNC(=O)c2ccccn2)n1 782553028 UQOMCLNRSSEEKC-UHFFFAOYSA-N 259.269 -0.181 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CC12CCOCC2 787949795 HXSNWCQTBRTMSC-QMMMGPOBSA-N 256.302 -0.279 50 20 CBGD N#Cc1ncn(CCNS(=O)(=O)CBr)n1 796144180 SHGPEIJHXQUFCY-UHFFFAOYSA-N 294.134 -0.578 50 20 CBGD C=CCNC(=S)NNC(=O)c1cnc(N(C)C)cn1 798306082 SDQLEWFWZFYYGT-UHFFFAOYSA-N 280.357 -0.163 50 20 CBGD CNC(=O)CSCC(=O)NNC(=O)C(C)(C)C 799310192 TZWBLERCTVNKAG-UHFFFAOYSA-N 261.347 -0.341 50 20 CBGD COCCN(C)NC(=O)CNC(=O)c1ccoc1C 816561258 QNBQLOLEXGPNQJ-UHFFFAOYSA-N 269.301 -0.073 50 20 CBGD CCC(=O)N1CCN(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1 827259885 MEOLIENRFIIGIK-UWVGGRQHSA-N 298.343 -0.336 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC(=O)N(C)C[C@H]1C 827276381 ZXDQIBJXVGDAMZ-UTLUCORTSA-N 298.343 -0.685 50 20 CBGD O=C(NNc1nc(-c2ccncc2)no1)[C@@H]1CNCCO1 828217499 AREMIPQYUJUCIW-VIFPVBQESA-N 290.283 -0.437 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cn1cc([N+](=O)[O-])cn1 843640105 BCKMOFXWYRDMTI-IONNQARKSA-N 297.271 -0.636 50 20 CBGD CCN(CC)S(=O)(=O)CC(=O)NN(C)C(=S)NC 854923870 LOZLLBGDWSYPEC-UHFFFAOYSA-N 296.418 -0.875 50 20 CBGD CC(C)(C(N)=O)C(=O)NNC(=O)c1cccc(F)n1 856426805 IXEXURYMHBXKKM-UHFFFAOYSA-N 268.248 -0.507 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CCCN2C2CC2)N1 862458370 DRMQFYMGCXGCOC-NXEZZACHSA-N 280.328 -0.961 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)co1 862462002 STAZCWYBRFEZRX-MRVPVSSYSA-N 251.242 -0.372 50 20 CBGD C=C(C)[C@@H](CC(=O)NNC(=O)CS(C)(=O)=O)OCC 863464912 YAJBURVVRYJSRV-SECBINFHSA-N 292.357 -0.450 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1C[C@@H]1C1CC1 869903359 CKBOGMOADKINLE-ZJUUUORDSA-N 256.302 -0.157 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@H]2COC[C@H]2C1 872319233 BLCPTZPBWFKNDP-BBBLOLIVSA-N 255.318 -0.490 50 20 CBGD CCN(CC)Cc1cn(CC(=O)NNC(=O)C2CC2)nn1 881291887 BLUOJCAQLUCLDS-UHFFFAOYSA-N 294.359 -0.323 50 20 CBGD C[C@@H]1C(=O)CCCN1C(=O)c1ccc(B(O)O)cc1 885062987 QBFVNIWDEKPKRV-SECBINFHSA-N 261.086 -0.440 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1)[C@@H](C)C(=O)O 901444941 KPDXEUPYLPTOMP-BDAKNGLRSA-N 251.091 -0.435 50 20 CBGD CN1CCO[C@@H](C(=O)NNc2ncccc2F)C1=O 908129210 VSRNYQCJUXVIBA-QMMMGPOBSA-N 268.248 -0.479 50 20 CBGD CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cnccn1 1116076483 PXJUOGCRQJMYST-VIFPVBQESA-N 282.325 -0.249 50 20 CBGD CS(=O)(=O)C1(C(=O)NNc2ncnc3[nH]cnc23)CC1 1116907384 LIUFTNNYXSHAEC-UHFFFAOYSA-N 296.312 -0.627 50 20 CBGD Cn1cc(CCCNC(=O)NNC(=O)c2cn[nH]c2)cn1 1118861116 XYTNTIONVZCOBW-UHFFFAOYSA-N 291.315 -0.280 50 20 CBGD CN(C(=O)N1CC[C@@H](B(O)O)C1)C1CCOCC1 1118916752 ULCSUOKGZDBGLN-SECBINFHSA-N 256.111 -0.234 50 20 CBGD CC(C)(C)C(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1319260994 PSFUGHPDGWDJLS-ZETCQYMHSA-N 290.341 -0.816 50 20 CBGD COCc1nn(CC(=O)NNC(=O)C(C)(C)C)c(=O)o1 1320094178 GJAZHGNITPFGAF-UHFFFAOYSA-N 286.288 -0.824 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cnn(CC2CC2)c1 1320224725 WAYKINLCMCUNHL-UHFFFAOYSA-N 279.300 -0.211 50 20 CBGD O=C(Cc1cc(O)nc(O)n1)NN=C1CCC(O)CC1 1320763059 LDHMBZOJRJJOLU-UHFFFAOYSA-N 280.284 -0.163 50 20 CBGD Cc1ccc(NNC(=O)NC[C@@H]2CCS(=O)(=O)C2)nn1 1320794681 KYPWCMODRBUWSX-VIFPVBQESA-N 299.356 -0.154 50 20 CBGD CN(C)C(=O)CNC(=S)NNC(=O)Cc1cccnc1 1322460886 OOMWNLBEXSTYRC-UHFFFAOYSA-N 295.368 -0.792 50 20 CBGD CC(=O)NNC(=O)c1ccc(C(=O)NNC(C)=O)s1 1327649380 CMMDQEUURMSPOV-UHFFFAOYSA-N 284.297 -0.690 50 20 CBGD Cc1nnc(O)c(CNCc2ccc(B(O)O)cc2)c1C 1331712735 PRPQVXYMFFDURT-UHFFFAOYSA-N 287.128 -0.231 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)c1cc[n+]([O-])cc1 1337240041 PVJGYTBMRWPHLD-SNVBAGLBSA-N 265.269 -0.350 50 20 CBGD Cn1ccc(C(=O)NNC(=O)Cc2ccncc2)cc1=O 1339851003 HFBVOEARPJWJAB-UHFFFAOYSA-N 286.291 -0.216 50 20 CBGD Cn1cc(C(=O)NNC(=O)OCC(F)(F)F)nn1 1347865910 QCTNULWPBLNRLO-UHFFFAOYSA-N 267.167 -0.252 50 20 CBGD O=C1NCC[C@@H]1C(=O)NNC(=S)Nc1ccccn1 1352272250 NEXBLLHQARQYCP-ZETCQYMHSA-N 279.325 -0.465 50 20 CBGD COCc1cncc(C(=O)NNC(=O)[C@@H]2CCN2)c1 1579095259 OWQHSLRJFJSADZ-JTQLQIEISA-N 264.285 -0.649 50 20 CBGD O=C1CC[C@H](C(=O)NN=C2C[C@H]3C[C@H](C(=O)O)[C@H]2C3)N1 1602637960 JIZKBHMNGZZNAT-LURQLKTLSA-N 279.296 -0.132 50 20 CBGD CCCNC(=O)NNC(=O)Cn1cccc(C(=O)O)c1=O 1605332244 YQAZILFAGUECGS-UHFFFAOYSA-N 296.283 -0.713 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)c2cccnc2)O[C@H]1C(=O)O 1607442561 KLWSOWLHTVDMNZ-SZEHBUNVSA-N 293.279 -0.279 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H](CCCC)NC(N)=O 65621590 CUSASDPUMNXOHY-QMMMGPOBSA-N 287.389 -0.105 50 20 CBGD O=C(CN1CCC[C@H]1C(=O)NC1CC1)NNC(=O)C1CC1 112976628 BDRPNNMVCLVQBQ-NSHDSACASA-N 294.355 -0.713 50 20 CBGD C=CCOCCCC(=O)NNC(=O)C(=O)N1CCCC1 266319902 WNSMDAKWHZCITR-UHFFFAOYSA-N 283.328 -0.261 50 20 CBGD O=C(NNc1ncccn1)[C@H]1COCCN1CC(F)F 274624033 QTOGJNFDZPDRNZ-MRVPVSSYSA-N 287.270 -0.114 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CCCN1C(C)=O 281397381 YINHRIVWAPRPDU-SECBINFHSA-N 270.358 -0.321 50 20 CBGD COc1cc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)nn1C 294025238 WZBOUPKACGSWOV-CBAPKCEASA-N 282.300 -0.243 50 20 CBGD C[C@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)C1CC1)CS2 298077866 TYIFJGCAZHRZNM-PELKAZGASA-N 283.353 -0.002 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CN2CCCN1CC2 366722335 NADPVZGXKIBTDF-JTQLQIEISA-N 269.349 -0.931 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@H]2C[C@]23CCOC3)CC1 377208675 ONEBCSWVJAJKHY-MFKMUULPSA-N 282.344 -0.599 50 20 CBGD N#C/C(=C/c1cn(CC(=O)O)nn1)C(=O)N1CCCC1 490783744 UITCETFCZXQSGQ-UITAMQMPSA-N 275.268 -0.108 50 20 CBGD CNC(=O)C1(C(=O)Nc2cccc(B(O)O)c2)CCC1 584911449 VQXWFYWVJYDWCE-UHFFFAOYSA-N 276.101 -0.779 50 20 CBGD CC[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(B(O)O)c1 584914404 WYUYVEHICWRSPS-GFCCVEGCSA-N 290.128 -0.294 50 20 CBGD C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1ccc(B(O)O)cc1 584958272 PHPUREDQCUQHPJ-GXFFZTMASA-N 293.128 -0.710 50 20 CBGD O=C(NCCCO[C@H]1CCOC1)c1ccc(B(O)O)cc1 584958689 RBEMSUWMJJYCRX-ZDUSSCGKSA-N 293.128 -0.708 50 20 CBGD COC[C@@H](C)CN(C)C(=O)c1cccc(B(O)O)c1 584960740 MTYLFNVYVNTDBF-JTQLQIEISA-N 265.118 -0.279 50 20 CBGD CC[C@H](C)[C@@H](CO)NC(=O)c1ccc(B(O)O)cc1 584968293 ACJZBLBMEHMZGA-JOYOIKCWSA-N 265.118 -0.497 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)[C@@H](C)CN1C 584969270 KPNPGDNSEGVSHQ-UWVGGRQHSA-N 294.135 -0.330 50 20 CBGD O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]21)c1ccc(B(O)O)cc1 584978571 AEUUCYVOMMKDGI-UPJWGTAASA-N 275.113 -0.336 50 20 CBGD C[C@H](CN1CCOC[C@H]1C)NCc1ccccc1B(O)O 585021405 KEIHWVMFONLRPK-CHWSQXEVSA-N 292.188 -0.435 50 20 CBGD COC[C@@H](NCc1ccc(B(O)O)cc1F)[C@@H]1CCCO1 585039457 VFHGAHYEPPXAJZ-KGLIPLIRSA-N 297.135 -0.211 50 20 CBGD CCCCCS(=O)(=O)CC(=O)N1CC[C@H](B(O)O)C1 585068183 ZQVZZHULXROXQL-JTQLQIEISA-N 291.178 -0.333 50 20 CBGD COC(=O)CC1CCN(CC(=O)NNC(=O)C2CC2)CC1 733194274 GBOMGGCCGAHABX-UHFFFAOYSA-N 297.355 -0.181 50 20 CBGD CS[C@@H](C)C(=O)NNc1ccc(C(N)=O)nn1 757391897 HTKUFHFWSUMFFV-YFKPBYRVSA-N 255.303 -0.230 50 20 CBGD CN(CC(=O)NNC(=O)c1cccs1)[C@H]1CCNC1=O 759436859 MEKCFJDROKOSFP-QMMMGPOBSA-N 296.352 -0.671 50 20 CBGD C[C@H](C#N)C(=O)NNc1nccc(N2CCOCC2)n1 762848864 VYEDPCORZVWQDY-SECBINFHSA-N 276.300 -0.084 50 20 CBGD C[C@@H]1CN(C)CC1=NNC(=O)CNC(=O)c1cccnc1 763204297 LEGWRXJUDHJJHE-SNVBAGLBSA-N 289.339 -0.135 50 20 CBGD C[C@H]1C[C@@H](C(=O)NNC(=O)c2cnn(C)c2)CCO1 776324864 FOMHXTRIVFCQGM-IUCAKERBSA-N 266.301 -0.004 50 20 CBGD COc1ccc(NNC(=O)CCNS(C)(=O)=O)nc1 781527665 JNJPZJFADVQZKO-UHFFFAOYSA-N 288.329 -0.527 50 20 CBGD O=C(CCOCC(F)F)NNC(=O)Cc1cc[nH]n1 790597058 MDDZROOAEVSEAO-UHFFFAOYSA-N 276.243 -0.229 50 20 CBGD CC(C)S(=O)(=O)CC(=O)NNc1nc2ccccn2n1 791258204 ORJZEOCPAKMPLQ-UHFFFAOYSA-N 297.340 -0.004 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)N=c1cc[nH]cc1 802024278 MJOIADXLLPMLEZ-UHFFFAOYSA-N 265.273 -0.818 50 20 CBGD O=C(CO)NNC(=O)Nc1nc2cc(Cl)ccn2n1 810249249 RMADHKLPXAZSQW-UHFFFAOYSA-N 284.663 -0.472 50 20 CBGD C[C@H](Oc1ccccn1)C(=O)NNC(=O)N1CCOCC1 825505854 YBJJEYPQHBFZCT-JTQLQIEISA-N 294.311 -0.078 50 20 CBGD CCC(=O)N1CCN(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1 827259889 MEOLIENRFIIGIK-ZJUUUORDSA-N 298.343 -0.336 50 20 CBGD CSCCNC(=S)NNC(=O)Cc1ncc[nH]1 831575663 SMHWTRQCQHOUNA-UHFFFAOYSA-N 273.387 -0.190 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC(=O)N[C@@H](C)C1 831763202 MAMXOHLVBWYKHS-VHSXEESVSA-N 284.360 -0.611 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)[C@H]2CCCN2C=O)n1 831983709 WTAVHWGXDBSUIT-ZCFIWIBFSA-N 284.707 -0.224 50 20 CBGD CC(C)[C@H](N)CNC(=O)NNC(=O)[C@@H]1CCCCO1 841945155 YKCYSVWETNNGAH-ZJUUUORDSA-N 272.349 -0.131 50 20 CBGD Cc1nn(C)cc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843650933 ITYAAAOBSMMTGZ-DTWKUNHWSA-N 266.301 -0.085 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1nccn2ccnc12 843972925 WJFOKZRHJJCHKR-IUCAKERBSA-N 289.295 -0.085 50 20 CBGD CCONC(=O)CNS(=O)(=O)CBr 846003474 CGEUSWLVEVIILH-UHFFFAOYSA-N 275.124 -0.674 50 20 CBGD O=C(NCC(F)F)NNC(=O)[C@@H]1CCS(=O)(=O)C1 849333059 LGTSQGJPNYAMQL-RXMQYKEDSA-N 285.272 -0.983 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@@H](O)C1CC1 854285792 PMMWTHYSJYMZMB-VIFPVBQESA-N 275.374 -0.369 50 20 CBGD CCOC(=O)[C@H](CC(=O)NN(C)CCOC)C(C)=O 854413556 RSDDLYFAMRLVQR-SNVBAGLBSA-N 274.317 -0.246 50 20 CBGD C[C@H](NC(=S)NNC(=O)CN1CCOCC1)C1CC1 855098578 JLCXOPSSPLNSTN-VIFPVBQESA-N 286.401 -0.388 50 20 CBGD COC(=O)C1CCC(=NNC(=O)CS(C)(=O)=O)CC1 863186617 FCOPMSIBJAPHPA-UHFFFAOYSA-N 290.341 -0.134 50 20 CBGD CO[C@H](CC(C)C)C(=O)NNC(=O)CS(C)(=O)=O 863465454 DRVVBBAJHMIEJJ-MRVPVSSYSA-N 280.346 -0.761 50 20 CBGD O=C1CN(C(=O)NNC(=O)c2ccccc2)CCCN1 872808739 KDLICUXYRUDNEQ-UHFFFAOYSA-N 276.296 -0.137 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@]1(C)CCNC1=O 899999685 SSVXMHJCVQRIGU-LLVKDONJSA-N 272.374 -0.194 50 20 CBGD O=C(Cc1cnc[nH]1)NNC(=O)[C@@H]1CCCCO1 908517405 KPEBKKAUSQPISW-VIFPVBQESA-N 252.274 -0.331 50 20 CBGD CC(C)CN1C[C@@H](C(=O)NN(C)C[C@@H](C)O)CC1=O 910172971 IAIRYPLADAVCPA-MNOVXSKESA-N 271.361 -0.165 50 20 CBGD Cc1cccc(NNC(=O)[C@H]2OCCN(C)C2=O)n1 912980894 CIDZOYFIOJNGHX-SNVBAGLBSA-N 264.285 -0.310 50 20 CBGD CO[C@@H](C(=O)NNC(=O)CN1CCCC1=O)C1CCCC1 913733552 MVJOHLIJUAVFBX-CYBMUJFWSA-N 297.355 -0.039 50 20 CBGD CC(C)N1CCC[C@H]1C(=O)NNC(=O)C(C)(C)O 935563321 MJAKBRQNODKYHF-VIFPVBQESA-N 257.334 -0.223 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc2c(c1)NC(=O)CO2 1115911625 OGNPPJSGKXLDNZ-UHFFFAOYSA-N 278.268 -0.067 50 20 CBGD O=C(NNC(=O)c1csc2cncn12)C(=O)NC1CC1 1318591103 CYHJLDVYPWFOLB-UHFFFAOYSA-N 293.308 -0.565 50 20 CBGD CCO/C=C(\C#N)C(=O)NC1CCN(CC(=O)NC)CC1 1319357617 FBFRBFGHCIVUPD-ZHACJKMWSA-N 294.355 -0.243 50 20 CBGD CNC(=O)NNC(=O)c1ncc(C(N)=O)cc1Cl 1319407930 BULMMONDKNAKID-UHFFFAOYSA-N 271.664 -0.592 50 20 CBGD COc1ccc(NC(=O)C(=O)NNC(=O)CCO)cc1 1320521502 ZKXZHAHRTDAQDU-UHFFFAOYSA-N 281.268 -0.837 50 20 CBGD Cn1ccc(C=NNC(=O)C(=O)Nc2ccccn2)n1 1324207908 SSNTYCQIMUBSHV-UHFFFAOYSA-N 272.268 -0.096 50 20 CBGD COC(=O)NCCCC(=O)NNc1cnnn1C 1325023878 ZYMCRWATSGVNQT-UHFFFAOYSA-N 256.266 -0.606 50 20 CBGD O=C1CC[C@@H](C(=O)NNc2ncncc2F)CN1 1325041815 LIYQHIHHLNANGX-ZCFIWIBFSA-N 253.237 -0.415 50 20 CBGD CCNC(=O)NNC(=O)c1cnn(-c2ccccn2)c1N 1326248527 PIZGNILABDQGGW-UHFFFAOYSA-N 289.299 -0.187 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1c([N+](=O)[O-])cnn1C 1326383636 SDQOMRRCUYXSSS-RNFRBKRXSA-N 297.271 -0.486 50 20 CBGD Cc1nnc(CN(C)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)o1 1327897207 FFAUOFPEYBOPDE-VXNVDRBHSA-N 297.315 -0.024 50 20 CBGD CS(=O)(=O)CCC(=O)NNC(=O)N=c1cc[nH]cc1 1328297782 WVZBUXHTDFLUES-UHFFFAOYSA-N 286.313 -0.909 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCCc1ccco1 1330787727 UDNOUNBBJZHQDC-UHFFFAOYSA-N 269.257 -0.284 50 20 CBGD NC(=O)N[C@H](CO)C(=O)NNc1cc(Cl)ccn1 1341910278 RAUUIFKOXPPVBT-ZCFIWIBFSA-N 273.680 -0.793 50 20 CBGD C[S@](=O)CCCNC(=O)NNC(=O)C1CCC1 1341915120 RTVKOKGPTBIZKO-KRWDZBQOSA-N 261.347 -0.115 50 20 CBGD Cn1cc(CC(=O)NNC(=O)Cc2cc[nH]n2)cn1 1342373314 CUZIPPZPOKIYOE-UHFFFAOYSA-N 262.273 -0.924 50 20 CBGD Cc1nnc(O)c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1C 1346067163 CPDKLRTUJQMRRF-IUCAKERBSA-N 294.311 -0.015 50 20 CBGD CC(C)N(C)S(=O)(=O)N1CC[C@H](B(O)O)C1 1348490482 REQJZIYGJUMCCL-QMMMGPOBSA-N 250.129 -0.880 50 20 CBGD CC(C)[C@H](NCC(F)(F)F)C(=O)NNC(=O)NCCN 1575842008 BFCZOHNYUORLSY-ZETCQYMHSA-N 299.297 -0.548 50 20 CBGD CC(C)[C@@H](CNC(=O)NNC(=O)c1ncccn1)C(=O)O 1588825568 WYYFKVGPFRSNGB-MRVPVSSYSA-N 295.299 -0.223 50 20 CBGD O=C(NNC(=O)[C@@H]1COCCO1)[C@H]1CC[C@@H](C(=O)O)C1 1594782976 PZESSNSXSWTZJS-YIZRAAEISA-N 286.284 -0.950 50 20 CBGD O=C(NNC(=O)c1ncon1)N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1 1601557769 SDQDKGCHLMICSE-WWILAJSPSA-N 295.255 -0.733 50 20 CBGD CC(C)N(CCCNC(=O)NNC(=O)C(=O)O)C(C)C 1603879560 HNXYTDUAMHFYMJ-UHFFFAOYSA-N 288.348 -0.090 50 20 CBGD Cn1c(C(=O)NNc2nc[nH]n2)ccc1-c1nn[nH]n1 1606213397 SSFCBZGPYFFULG-UHFFFAOYSA-N 274.248 -0.920 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)c1cc(C(=O)O)on1 1608424014 LBNZHFVMTFMPHZ-UHFFFAOYSA-N 296.161 -0.121 50 20 CBGD COC(=O)CNC(=O)NN=Cc1ccc(C(=O)O)c(O)c1 1776052342 BYXXUBDFYJCQCJ-UHFFFAOYSA-N 295.251 -0.104 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc2c(c1)ncn2C 156432261 CIELCLSOGBBOEZ-UHFFFAOYSA-N 275.312 -0.104 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CN(C)CCO2)o1 176222079 TUUOKDXINTVTJY-SNVBAGLBSA-N 267.285 -0.320 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1C[C@H]1C1CC1 177654987 HFNICQYDNDOOMQ-DTWKUNHWSA-N 253.302 -0.296 50 20 CBGD Cn1cnn(CC(=O)NNC(=O)CC(C)(C)C)c1=O 183165399 GHZBQCZSTGAMSU-UHFFFAOYSA-N 269.305 -0.835 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cnc(S)[nH]2)cn1 193090307 WQWKFNKDEOCZHU-UHFFFAOYSA-N 266.286 -0.493 50 20 CBGD O=C(Cc1ccccc1O)NNC(=O)C(=O)N1CCCC1 263741647 VPQCANOLJHCOKD-UHFFFAOYSA-N 291.307 -0.296 50 20 CBGD O=C(CNc1ccccc1)NNC(=O)[C@H]1COCCO1 264325101 QWKOFQFSHBNGIB-LLVKDONJSA-N 279.296 -0.339 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)COC(C)C 265855607 FBLYODURKRKTHJ-UHFFFAOYSA-N 273.333 -0.136 50 20 CBGD CCO/C=C(\C#N)C(=O)NC[C@@](C)(O)CN(C)C 269886637 JSEDGLLXKIBXNM-OFFHKIPUSA-N 255.318 -0.141 50 20 CBGD CCN(C)C(=O)CNC(=O)NNC(=O)c1ccccc1O 274865020 CBCCACGVSHRNKF-UHFFFAOYSA-N 294.311 -0.186 50 20 CBGD COC(=O)N(C)NC(=O)c1n[nH]c(C)c1[N+](=O)[O-] 286360271 MYEBTFRHATYLPX-UHFFFAOYSA-N 257.206 -0.031 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1C[C@@]12CCOC2 372049535 TZTFZKKCGUXBMR-IINYFYTJSA-N 297.355 -0.135 50 20 CBGD CCOC(=O)NCCCC(=O)NNC(=O)Cc1cc[nH]n1 495302831 WEJAIRSXNTUEFX-UHFFFAOYSA-N 297.315 -0.374 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc(N2CCOC2=O)cc1 495557534 KMAGIFXXEMGSQT-UHFFFAOYSA-N 299.308 -0.027 50 20 CBGD C[C@@H]([C@@H](C)NC(=O)c1cccc(B(O)O)c1)n1cncn1 584944534 RGZCELUITZEWPO-ZJUUUORDSA-N 288.116 -0.663 50 20 CBGD CCO[C@@H]1C[C@H](NC(=O)c2ccc(B(O)O)cc2)[C@@H]1OC 584976646 SJRKHQPELRQPCG-XQQFMLRXSA-N 293.128 -0.711 50 20 CBGD O=C(N[C@@H]1C[C@@H]2OCCC[C@H]21)c1cccc(B(O)O)c1 584978806 DGIORJYUPSBPRJ-XQQFMLRXSA-N 275.113 -0.336 50 20 CBGD COC[C@H](NC(=O)c1cccc(B(O)O)c1)[C@H]1CCCO1 584983976 SEKSVMKSHFWQAJ-QWHCGFSZSA-N 293.128 -0.710 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCCO[C@H](CF)C1 585002142 NRHGOUWFSOGTRV-GFCCVEGCSA-N 281.092 -0.433 50 20 CBGD C[C@@H]1C[C@H]1N1C[C@@H](NCc2ccc(B(O)O)o2)CC1=O 585024737 BQHKIBQLNLLSQZ-WCABBAIRSA-N 278.117 -0.942 50 20 CBGD OB(O)c1cccc(CNCCc2nncn2C2CC2)c1 585025603 YFRGUPJCHAATMH-UHFFFAOYSA-N 286.144 -0.375 50 20 CBGD C[C@@H](CCO)CCNCc1ccc(B(O)O)cc1 585043575 OFYQRWIMYJMQQB-LLVKDONJSA-N 251.135 -0.135 50 20 CBGD Cc1cc(C(=O)NCB(O)O)nn1-c1ccccc1 585061567 AHTHZEVQUJHHBN-UHFFFAOYSA-N 259.074 -0.077 50 20 CBGD Cc1c([N+](=O)[O-])cc(C(=O)NCB(O)O)cc1[N+](=O)[O-] 585062184 CLWPNZOJUWDUOF-UHFFFAOYSA-N 283.005 -0.447 50 20 CBGD NC(=O)C[C@H]1CCN(S(=O)(=O)CBr)C1 690802612 CULPQRHBFMVULA-ZCFIWIBFSA-N 285.163 -0.134 50 20 CBGD O=C(NN=Cc1ccc[nH]1)[C@@H]1CCS(=O)(=O)C1 730576506 RDTJNBLNBIZYNV-MRVPVSSYSA-N 255.299 -0.101 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)Sc1nnnn1C 731905289 YZJQDMPAELMISO-ZETCQYMHSA-N 286.361 -0.116 50 20 CBGD CN(CC1CC1)S(=O)(=O)NNC(=O)Cc1cccnc1 737757965 ZROKXPXDAQMHGI-UHFFFAOYSA-N 298.368 -0.169 50 20 CBGD COc1cc(C)nc(NNC(=O)c2nnn(C)c2C)n1 746623969 SKBXCRKTZQJCBH-UHFFFAOYSA-N 277.288 -0.013 50 20 CBGD CS(=O)(=O)NCCC(=O)NNC(=O)CC1CCCC1 749952054 IVEPVVVXPDEQCU-UHFFFAOYSA-N 291.373 -0.347 50 20 CBGD C[C@@](O)(CC(=O)NNC(=O)Cc1cc[nH]n1)C1CC1 755283570 ZCVPKUJLDUYJFQ-GFCCVEGCSA-N 266.301 -0.349 50 20 CBGD O=C(NN=Cc1cnc2ncccn12)C(=O)N1CCCC1 755679712 GLOJGMDBMUPLQL-UHFFFAOYSA-N 286.295 -0.198 50 20 CBGD CCc1ccc(NC(=O)C(=O)NNC(=O)COC)cc1 764299025 ARLHRYTUVDHIDX-UHFFFAOYSA-N 279.296 -0.019 50 20 CBGD CC(C)(C(N)=O)C(=O)NNC(=O)CC(F)(F)F 769907084 FQZYJZUUFOHSRH-UHFFFAOYSA-N 255.196 -0.402 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1cnn(C)c1 772069919 GTYZTASUTQRLHL-QMMMGPOBSA-N 282.300 -0.548 50 20 CBGD CN1CC[C@H](C(=O)NNc2cc(Cl)nc(N)n2)C1=O 773868028 XIJFRLLFAXFCGO-RXMQYKEDSA-N 284.707 -0.366 50 20 CBGD COC(=O)CNC(=O)NN=Cc1ccc(C(=O)OC)o1 779816017 GDVXLVDLFOXCHA-UHFFFAOYSA-N 283.240 -0.128 50 20 CBGD COCCn1ccc(C(=O)NNC(=O)c2ccccn2)n1 784273626 IJFNBPSIIDJHMN-UHFFFAOYSA-N 289.295 -0.001 50 20 CBGD COC(=O)Cn1cccc1C=NNC(=O)C(C)(C)O 785460802 MHWCTCOANWJUET-UHFFFAOYSA-N 267.285 -0.118 50 20 CBGD COC(=O)[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)[C@H]1C 787326832 WNVZIJILXOGNFQ-WCBMZHEXSA-N 283.328 -0.573 50 20 CBGD COCCCNC(=O)NNC(=O)Cc1ccc(OC)cn1 789910025 ZBTUHIVYCCVWBQ-UHFFFAOYSA-N 296.327 0.000 50 20 CBGD CSCCNC(=S)NNC(=O)CC1OCCO1 793769138 YFWVDHOZOCIMKN-UHFFFAOYSA-N 279.387 -0.392 50 20 CBGD CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)N(C)C 795823023 LSNSYSDTXZDWEY-SECBINFHSA-N 256.306 -0.310 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1nn(CC)nc1C 815295656 LXHFVTFYFQLOMB-QMMMGPOBSA-N 297.315 -0.291 50 20 CBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)c1cccnc1 816817398 ASHMFCZZGDULBB-RKDXNWHRSA-N 262.269 -0.646 50 20 CBGD Cc1cc(C(=O)NN=C2CCN(CCO)CC2)n[nH]1 819808631 FKVCASGMXUWTOR-UHFFFAOYSA-N 265.317 -0.108 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1COCCN1C1CCCC1 821216910 ASCLQQLDODAXGU-DGCLKSJQSA-N 285.388 -0.026 50 20 CBGD C[C@H](O)CN(C)NC(=O)/C=C1\SCC(=O)N1C 823718875 SCDBICNTDQOAGN-SOBCLFBASA-N 259.331 -0.623 50 20 CBGD CCN(CCO)NC(=O)Cc1ncccc1OC 823879892 WPZSTUXOKGCBPK-UHFFFAOYSA-N 253.302 -0.022 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CCc2cncn2C1 823884794 JYGWYFFHWCVVQY-SNVBAGLBSA-N 252.318 -0.209 50 20 CBGD O=CN1CCC[C@@H]1C(=O)NNc1ncc(F)cn1 831352257 VQQFMBKVNOKDCJ-MRVPVSSYSA-N 253.237 -0.320 50 20 CBGD C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc[nH]n1 855355942 JOLPYLJKIIHAKO-APPZFPTMSA-N 250.258 -0.238 50 20 CBGD Cn1cncc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1cc[nH]n1 855356028 KQGHBUOSABOOCS-HTQZYQBOSA-N 274.284 -0.292 50 20 CBGD CC(=O)N[C@H](CC1CCC1)C(=O)NNC(=O)c1cc[nH]n1 855357048 YPTCRCZORYAIAX-LLVKDONJSA-N 293.327 -0.134 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)c1cccc(F)n1 856426804 IVSFSBWIXMMAIG-QMMMGPOBSA-N 271.248 -0.357 50 20 CBGD Cc1cc(=NNC(=O)C2=NN(C)C(=O)CC2)cc[nH]1 862509324 JFWGNXXJVSYVDE-UHFFFAOYSA-N 261.285 -0.137 50 20 CBGD O=C(NNS(=O)(=O)C[C@@H]1CCCCO1)c1cn[nH]c1 863413941 NOWLRUWEHFUYFZ-VIFPVBQESA-N 288.329 -0.457 50 20 CBGD C[C@H]1CCCN1CCNC(=O)NNC(=O)c1ncccn1 897509724 AQQOQTXYVPUTFM-JTQLQIEISA-N 292.343 -0.095 50 20 CBGD CN1CC[C@H](C(=O)NNc2ccc(C#N)cn2)C1=O 899662000 MNPINCOWKFRDBX-SECBINFHSA-N 259.269 -0.125 50 20 CBGD Cc1ncc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n1C 911505863 XLXRPCZUXKYMAT-APPZFPTMSA-N 266.301 -0.085 50 20 CBGD CC(C)(C)C(=O)NNC(=O)[C@@H]1CCCN(C(N)=O)C1 918584121 GDAHAJKODNLVRZ-MRVPVSSYSA-N 270.333 -0.029 50 20 CBGD C[C@@H](OCC1CC1)C(=O)NNC(=O)CN1CCCC1=O 920805644 QXWNXGPTUNQPHV-SECBINFHSA-N 283.328 -0.429 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](N(C)C)[C@@H]1C 931038814 LOWFAMBSUGTRLG-GARJFASQSA-N 270.377 -0.043 50 20 CBGD Cc1nn(C)c(C(=O)NN(C)C(N)=O)c1[N+](=O)[O-] 1116530291 HDFFIOWACJXZPU-UHFFFAOYSA-N 256.222 -0.708 50 20 CBGD CNC(=O)CCCC(=O)NNC(=S)NC(C)C 1116704734 PVFNTYFLPGWLGA-UHFFFAOYSA-N 260.363 -0.194 50 20 CBGD CC[C@@](C)(C#N)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1117100736 NKUIPKMGDOCDNS-KCJUWKMLSA-N 287.341 -0.492 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=O)[C@@H]1CCCCO1 1120743577 IQDUSTDZOGJHKP-QMMMGPOBSA-N 273.289 -0.599 50 20 CBGD COC[C@H](NC(=O)NNC(=O)C(=O)OC)c1ccc(C)o1 1318943436 WFESGWHMRWBEFV-QMMMGPOBSA-N 299.283 -0.221 50 20 CBGD C#Cc1cncc(C(=O)NNC(=O)C(=O)NC2CC2)c1 1321297710 PGVDDLKOVRJXKM-UHFFFAOYSA-N 272.264 -0.898 50 20 CBGD COc1ccc(C(=O)NNC(=O)C(C)(C)C(N)=O)cc1 1322040334 LOWAADFGANCBGS-UHFFFAOYSA-N 279.296 -0.032 50 20 CBGD CN(C)C(=O)NNC(=O)CCCS(C)(=O)=O 1322591456 PNJUXIMEWALQPP-UHFFFAOYSA-N 251.308 -0.886 50 20 CBGD Cc1ccn(C)c(=O)c1NC(=O)NNC(=O)CCO 1323926945 IIPMWRVRMQXHMQ-UHFFFAOYSA-N 268.273 -0.771 50 20 CBGD Cc1cccnc1NNC(=O)CN1C(=O)CNC1=O 1326287359 JPXILNVMAFXOJX-UHFFFAOYSA-N 263.257 -0.615 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)[C@@H](O)C3CC3)nc21 1328324050 SADIXSWYQCRUDJ-ZETCQYMHSA-N 278.272 -0.717 50 20 CBGD C[C@@H](NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(F)(F)F 1329064274 VRAFEUOOBHXBQG-PHDIDXHHSA-N 274.264 -0.007 50 20 CBGD Cc1cc(=NNC(=O)CC[C@H]2NC(=O)NC2=O)cc[nH]1 1330115308 QJABSLLIRNFVJP-SECBINFHSA-N 277.284 -0.757 50 20 CBGD Cc1cncc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 1331533314 KOTUCFIAWDNTQZ-SNVBAGLBSA-N 291.311 -0.501 50 20 CBGD CCNC(=O)NNC(=O)c1cnn(CCN(C)C)c1 1331866177 LNWXAGZJCYIMCG-UHFFFAOYSA-N 268.321 -0.591 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCc2nncn2C1 1333347661 QCLXDWHZJJKHBS-BDAKNGLRSA-N 253.306 -0.816 50 20 CBGD CCN(CCO)NC(=O)[C@H](O)Cc1cccc(OC)c1 1336010472 GPFZAZKOBINNCO-CYBMUJFWSA-N 282.340 -0.056 50 20 CBGD Cc1nn(C)cc1CC(=O)NNC(=O)CN1CCCC1=O 1339721180 ISEDPVWLRUABKV-UHFFFAOYSA-N 293.327 -0.959 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2CN3CCN2C[C@H]3C)n1 1518889059 FSYYTPQPTNLWQC-ZJUUUORDSA-N 292.343 -0.683 50 20 CBGD N#C[C@H]1CNCC12CC(C(=O)NNC(=O)c1cccnc1)C2 1580042758 AXDHFQKYGLIHGC-AVERBVTBSA-N 299.334 -0.018 50 20 CBGD O=C(NNc1ccnc(F)c1)C1=NOC2(CNC2)C1 1580739483 GVKGVVBFBKJKLQ-UHFFFAOYSA-N 265.248 -0.218 50 20 CBGD O=S(=O)(CCCCl)NCc1cn(C2CNC2)nn1 1580863769 ARCCKQQBFPXZCC-UHFFFAOYSA-N 293.780 -0.529 50 20 CBGD O=C(O)CNC(=O)NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2 1602072213 WPMTYOVKXABHED-FXQIFTODSA-N 286.357 -0.062 50 20 CBGD O=C(O)CCN1CCC(=NNC(=O)N2CCOCC2)CC1 1608722786 BFYHSIWSRQOQBK-UHFFFAOYSA-N 298.343 -0.045 50 20 CBGD CSC[C@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 66833328 MBVMSZJLGWBJSZ-QMMMGPOBSA-N 273.358 -0.245 50 20 CBGD CNC(=O)CCCC(=O)NNc1nccc(OC)n1 272585073 GXRWUGKTOBAIMO-UHFFFAOYSA-N 267.289 -0.155 50 20 CBGD COC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)c1ccc[nH]1 285091332 NZUMKZHLSWGXNE-JGVFFNPUSA-N 265.269 -0.025 50 20 CBGD COC(=O)N(C)NC(=O)Cn1nc2ccccn2c1=O 286468045 UJNUZTKTALZYPJ-UHFFFAOYSA-N 279.256 -0.775 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2COCCO2)n1 298381874 AEOOXBWRZDZLON-SNVBAGLBSA-N 282.300 -0.937 50 20 CBGD COCC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 491547851 CKHPDTDKHJTALY-UHFFFAOYSA-N 290.320 -0.512 50 20 CBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNc1cc(Cl)nc(N)n1 495897333 RXPHZSGDQQLSBG-AWFVSMACSA-N 286.679 -0.348 50 20 CBGD COCCCCNC(=O)c1cccc(B(O)O)c1 584928909 GTYQXISJGPSCPT-UHFFFAOYSA-N 251.091 -0.477 50 20 CBGD CCCNC(=O)CCNC(=O)c1ccc(B(O)O)cc1 584934223 PYXZKBBEOVKSOQ-UHFFFAOYSA-N 278.117 -0.988 50 20 CBGD CC[C@@](C)(CO)NC(=O)c1ccc(B(O)O)cc1 584967464 KATJJNZOKIKMLP-LBPRGKRZSA-N 251.091 -0.743 50 20 CBGD O=C(N[C@H](CO)CC1CC1)c1ccc(B(O)O)c(F)c1 584968437 AXGHSLIEKMQNOU-JTQLQIEISA-N 281.092 -0.604 50 20 CBGD COC[C@]1(C)CCN(C(=O)c2cccc(B(O)O)c2)C1 584995590 OBEKHBIPXVUEPB-CQSZACIVSA-N 277.129 -0.135 50 20 CBGD C=CCC[C@@H](CO)NC(=O)c1ccc(B(O)O)c(F)c1 584999198 JPUXCNXSPLDWPE-JTQLQIEISA-N 281.092 -0.438 50 20 CBGD CC(C)(CCNCc1ccc(B(O)O)cc1)S(C)(=O)=O 585046423 RFMPOTRNNKIOMY-UHFFFAOYSA-N 299.201 -0.331 50 20 CBGD CC(C)S(=O)(=O)c1ccccc1C(=O)NCB(O)O 585055481 BVHVAJYOMALDAW-UHFFFAOYSA-N 285.130 -0.390 50 20 CBGD CC(C)CC(=O)NNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 730522601 ONRVOACPBHJFIJ-UHFFFAOYSA-N 292.299 -0.735 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)CNC(=O)O)c1 738434870 QQOQAPGETNRIHV-UHFFFAOYSA-N 262.225 -0.413 50 20 CBGD Cc1cccnc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 749872765 BBXRLYUGKLXVPS-SECBINFHSA-N 297.336 -0.414 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@H](OC)[C@H](OC)C1 753805349 GFNPZFDZEGMRMW-BBBLOLIVSA-N 273.333 -0.722 50 20 CBGD CN(C)C1(C(=O)NNC(=O)c2cnn(C)c2)CCC1 763048272 AIETXKDVVUEBRC-UHFFFAOYSA-N 265.317 -0.335 50 20 CBGD O=C(CNC(=O)c1cccnc1)NNC(=S)NC1CC1 763164104 MQQBUOVXVXAKDC-UHFFFAOYSA-N 293.352 -0.531 50 20 CBGD Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 763688648 ANPJLENWQFNGED-NSHDSACASA-N 275.308 -0.036 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CCOCC1 770722024 ZHRFVYVKJSYVES-RKDXNWHRSA-N 257.290 -0.516 50 20 CBGD CCNC(=O)CC(=O)NNc1cc(Cl)nc(N)n1 773867161 HVRQGXJBQRQPTK-UHFFFAOYSA-N 272.696 -0.319 50 20 CBGD CCCc1csc(NC(=O)C(=O)NNC(=O)CO)n1 789738623 FLSOESAENNBKDT-UHFFFAOYSA-N 286.313 -0.826 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)CN(C)C 807370025 UCVYKWNFPPAXNY-UHFFFAOYSA-N 261.322 -0.515 50 20 CBGD Cc1[nH]nc(C(=O)NNC(=O)N2CCN(C)CC2)c1O 807383211 PGAVEJOAUIDRSI-UHFFFAOYSA-N 282.304 -0.974 50 20 CBGD O=C(NNC(=O)C(=O)N1CCCC1)NOC/C=C/Cl 812706289 NHLBMKJVVNOQST-ONEGZZNKSA-N 290.707 -0.377 50 20 CBGD CCC[C@H](C(=O)NNC(=O)c1ccc[nH]1)S(N)(=O)=O 816823716 DKUVHBFRFTWGLT-MRVPVSSYSA-N 288.329 -0.767 50 20 CBGD Cc1occc(=O)c1OCC(=O)NN(C)C[C@H](C)O 822558137 QBRKZAMWRSMCKW-QMMMGPOBSA-N 270.285 -0.329 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCCc2nn[nH]c21 823921978 GLDDANJZJKIPKW-SFYZADRCSA-N 253.306 -0.432 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)CC(=O)O 832990642 IFONMJRZFGBYIP-YFKPBYRVSA-N 254.246 -0.410 50 20 CBGD COC(=O)C12CC(C(=O)NNC(=O)c3ccnnc3)(C1)C2 843909463 VLTKQOXYHJKKKF-UHFFFAOYSA-N 290.279 -0.419 50 20 CBGD CCOC(=O)[C@@H](N)C(=O)NNc1nc(C)cc(C)n1 852800560 PGNNIJCWQPWDIT-QMMMGPOBSA-N 267.289 -0.573 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 854379106 OEBLEIIWLPKWSB-UHFFFAOYSA-N 296.287 -0.475 50 20 CBGD Cn1cncc1CCC(=O)NNC(=O)c1cc[nH]n1 855356287 KEDIOGZEWUJJCJ-UHFFFAOYSA-N 262.273 -0.463 50 20 CBGD CCS(=O)(=O)NCC(=O)NNc1ncc(Cl)cn1 857355361 BILPYPPSKVAVED-UHFFFAOYSA-N 293.736 -0.488 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1cc(Cl)nc(C)n1 857541494 UUBPLSZWBNWVHC-UHFFFAOYSA-N 293.736 -0.569 50 20 CBGD C[C@H](NNC(=O)c1cn(C)c(=O)nc1O)C(F)(F)F 862306729 DEHPPMRZVXBYQM-BYPYZUCNSA-N 280.206 -0.329 50 20 CBGD O=C(NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1cn[nH]c1 862470816 KROVZPLXZDYHRF-IWSPIJDZSA-N 250.258 -0.404 50 20 CBGD C#CC[C@H](CCOC)NCc1ccc(B(O)O)cc1 863891666 ADBSNWWXOTYDDG-CQSZACIVSA-N 261.130 -0.116 50 20 CBGD COc1ccccc1C(=O)NNC(=O)CN1CCOC1=O 874449920 IENZXGGTCYADNQ-UHFFFAOYSA-N 293.279 -0.092 50 20 CBGD C[C@@H]1COCC1=NNC(=O)[C@H]1CCS(=O)(=O)C1 884408706 PGXQHYIJHJCMTO-SFYZADRCSA-N 260.315 -0.440 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 910169879 GXYQKDAMFITFMW-HTQZYQBOSA-N 297.277 -0.259 50 20 CBGD C[C@H](O)CN(C)NC(=O)CCCN1C(=O)CCC1=O 910169892 HCWXPLUITDRYNW-VIFPVBQESA-N 271.317 -0.741 50 20 CBGD CON(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 917170929 FPCOSCASXCOCBT-UHFFFAOYSA-N 282.256 -0.151 50 20 CBGD CC1(O)CCC(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 1119665608 VNVOAUUTBZRMCE-JVVWGOMOSA-N 298.343 -0.711 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)Cc1nnc2n1CCC2 1319582613 TUPQJWBFSQPCDP-VIFPVBQESA-N 294.359 -0.398 50 20 CBGD C=CCNC(=S)NNC(=O)c1cccc(C(=O)NC)n1 1321141494 WWCFCQJTFYPRNA-UHFFFAOYSA-N 293.352 -0.264 50 20 CBGD COc1coc(C(=O)NNC(=O)c2cnn(C)c2)cc1=O 1321197669 KWOCQKKOBKRDDB-UHFFFAOYSA-N 292.251 -0.543 50 20 CBGD Cc1nn(C)c(N)c1C=NNC(=O)Cc1cc[nH]n1 1324474842 DWYYPFFPDYERHN-UHFFFAOYSA-N 261.289 -0.273 50 20 CBGD O=C(NC1CC1)C(=O)N1CCN(C(=O)CCl)CC1 1324702121 RFJRQAKALKEQJU-UHFFFAOYSA-N 273.720 -0.825 50 20 CBGD COC[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1325975930 LYGJRXAXNKQBSQ-HRDYMLBCSA-N 259.306 -0.223 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnn2ccncc12 1332467657 DCBIQRRSUZWLGJ-IUCAKERBSA-N 289.295 -0.085 50 20 CBGD O=C(C[C@@H]1COC(=O)C1)NNC(=O)c1ccccn1 1333356880 INAVJIOURSAWPO-QMMMGPOBSA-N 263.253 -0.204 50 20 CBGD NC(=O)c1ccc(/C=C/C(=O)N2CC[C@@H](B(O)O)C2)o1 1335429382 BPTVRVZGOABMEY-BYDTYLDUSA-N 278.073 -0.533 50 20 CBGD Cc1[nH]nc(C(=O)NNC(=O)N(C)C)c1[N+](=O)[O-] 1338606669 YRKDITMRSZNUJH-UHFFFAOYSA-N 256.222 -0.458 50 20 CBGD Nc1cnccc1C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1 1549312197 CROQHOOHTOIPPL-DGCLKSJQSA-N 289.339 -0.023 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCC(=O)O 1589418315 YNTJWNGLFBIKSL-RNFRBKRXSA-N 259.262 -0.784 50 20 CBGD CCC(CC)(C(=O)O)C(=O)NNC(=O)[C@@H]1COCCO1 1589476022 PSMFNFOWNNVILH-QMMMGPOBSA-N 288.300 -0.560 50 20 CBGD CO[C@](C)(C(=O)O)C(=O)NNC(=O)N=c1cc[nH]cc1 1593927015 RXQDRHQHRADJQD-NSHDSACASA-N 282.256 -0.854 50 20 CBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=O)[C@H]1CCCCO1 1593927266 VVAFARWBDRYDBA-RDDDGLTNSA-N 274.273 -0.807 50 20 CBGD C[C@@]1(C(=O)NNc2ncccc2C(=O)O)CCC(=O)N1 1594231646 OZWZTRJYPREVLU-LBPRGKRZSA-N 278.268 -0.108 50 20 CBGD Cc1c(C(=O)NNC(=O)[C@@H](C(=O)O)C(C)(C)C)nnn1C 1594256898 XNNLVPOBGUWBEW-ZETCQYMHSA-N 297.315 -0.369 50 20 CBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)Cc1cc(C)[nH]n1 1594756169 ZEOLJGRYPMLFJL-MRVPVSSYSA-N 268.273 -0.481 50 20 CBGD CC[C@@H](C)C[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)O 1594947064 YKGRFGNKLLWXSG-SKDRFNHKSA-N 293.128 -0.014 50 20 CBGD O=C(O)c1coc(C(=O)N2CC[C@H](B(O)O)C2)c1 1608986064 YTTUEMLKVOFZFK-ZETCQYMHSA-N 253.019 -0.333 50 20 CBGD NC(=O)CC(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1 1609502182 FNMFMOXHBFOHRA-UHFFFAOYSA-N 295.690 -0.161 50 20 CBGD O=C(CN[C@@H](C(=O)O)C1CC1)NNC(=O)c1cccs1 54522622 QJDYMKIHUGQZRN-SNVBAGLBSA-N 297.336 -0.038 50 20 CBGD CCNC(=O)NNC(=O)Cn1c(=O)oc2ccccc21 65191010 XFQFDQXJKOAKKU-UHFFFAOYSA-N 278.268 -0.055 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@H]2COCCO2)n1 266695087 OJSXFKGFNANUIU-SNVBAGLBSA-N 265.269 -0.434 50 20 CBGD C[C@H]1COCC[C@H]1C(=O)Nc1cccc(B(O)O)c1 405028742 NHHLLFPFSYGASS-JOYOIKCWSA-N 263.102 -0.023 50 20 CBGD CC(C)N(C)CCNC(=O)c1ccc(B(O)O)c(F)c1 584946630 WDUBWSVDRXVJBT-UHFFFAOYSA-N 282.124 -0.425 50 20 CBGD C=CCN(C(=O)c1ccc(B(O)O)c(F)c1)[C@@H]1CCOC1 584981609 YWDXPJAXDBWKKB-LLVKDONJSA-N 293.103 -0.077 50 20 CBGD CC[C@H](CO)N(C)C(=O)c1ccc(B(O)O)cc1 584994351 HGZYNIRXOSOCOE-LLVKDONJSA-N 251.091 -0.791 50 20 CBGD C[C@@H](N(C)C(=O)c1cccc(B(O)O)c1)C(C)(C)O 584997616 IJKICOWEUOXDID-SECBINFHSA-N 265.118 -0.402 50 20 CBGD OB(O)c1ccc(CNC[C@H](O)COCC2CC2)c(F)c1 585019409 AJLQFESSJSKDGM-ZDUSSCGKSA-N 297.135 -0.617 50 20 CBGD CC[C@@H](C)[C@H](CO)NCc1ccc(B(O)O)cc1 585025266 PTBDTGMDCRWNCH-MFKMUULPSA-N 251.135 -0.137 50 20 CBGD OB(O)c1ccc(CNC[C@H](O)C2CCOCC2)cc1 585028853 OCWGGQPGBVZKRW-AWEZNQCLSA-N 279.145 -0.757 50 20 CBGD C[C@H]1CCN(CCNCc2ccc(B(O)O)cc2)C1 585034368 OZWYIGVRCDHJAV-LBPRGKRZSA-N 262.162 -0.202 50 20 CBGD CC(C)Cn1ncc2cc(C(=O)NCB(O)O)cnc21 585060944 IFWZMNFZFWAHOW-UHFFFAOYSA-N 276.105 -0.171 50 20 CBGD C[C@H]1CN(c2ccc(C(=O)NCB(O)O)cn2)C[C@@H](C)O1 585063341 XAAGWEHJYPIXAX-AOOOYVTPSA-N 293.132 -0.563 50 20 CBGD CN(C)CC(=O)NN=Cc1ccc(O)c(O)c1O 727649846 PZFXKWBPVDIHKK-UHFFFAOYSA-N 253.258 -0.185 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@H]1C[C@H]1C(=O)O 739041820 BUPCRNHNXSYZLY-NKWVEPMBSA-N 251.242 -0.493 50 20 CBGD C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)C(=O)N1CCCC1 746185473 JNKQUUOPJYZURE-GHMZBOCLSA-N 296.371 -0.371 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@@H]1C1CC1)C(=O)NC1CC1 751308997 LSKSUEFNHUUSPA-BDAKNGLRSA-N 251.286 -0.542 50 20 CBGD CC[C@@H](C)OCC(=O)NNC(=O)C(=O)NC(C)C 751562957 MQVQTSKFNKQQGM-MRVPVSSYSA-N 259.306 -0.527 50 20 CBGD Cc1sc2ncc(C(=O)NNC(=O)CO)c(=O)n2c1C 753442730 PADVXPDQBIKQPN-UHFFFAOYSA-N 296.308 -0.874 50 20 CBGD COC(=O)C[C@H](NCC(=O)NNC(=O)C1CC1)C1CC1 754535878 IIVORNAKRYRKEW-JTQLQIEISA-N 283.328 -0.525 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 754978254 TYZNXLBVVGADMD-GFCCVEGCSA-N 297.267 -0.247 50 20 CBGD CCOC(=O)C(C)(C)C(=O)NNc1nnc(C)c(O)n1 763225206 QBWCNXZIVJVPDS-UHFFFAOYSA-N 283.288 -0.082 50 20 CBGD COc1cc(C(=O)NNC(=O)Cc2cc[nH]n2)on1 764082532 OHELUNZNRKLKAF-UHFFFAOYSA-N 265.229 -0.590 50 20 CBGD COc1nccnc1NNC(=O)c1ccc(C(N)=O)o1 764470423 ZIVYFOBXTUHFFY-UHFFFAOYSA-N 277.240 -0.066 50 20 CBGD CCOc1cnc(C(=O)NNC(=O)N(C)C)cn1 777784436 JJSWNKXGESORMB-UHFFFAOYSA-N 253.262 -0.209 50 20 CBGD CCNC(=O)CC(=O)O[C@H](C)C(=O)NNC(=O)CC 782346702 XFTFTAHENIHIOM-SSDOTTSWSA-N 273.289 -0.998 50 20 CBGD COC(=O)[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)[C@@H]1C 787326829 WNVZIJILXOGNFQ-PSASIEDQSA-N 283.328 -0.573 50 20 CBGD CCNC(=O)NN=Cc1ccc(S(N)(=O)=O)cc1 811640275 QADARSNUISWAOP-UHFFFAOYSA-N 270.314 -0.013 50 20 CBGD O=C(Cc1cc[nH]n1)NN=C1CCN(CCO)CC1 819813825 SJALWADMNRQAQV-UHFFFAOYSA-N 265.317 -0.488 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 823846967 PVBCPTQKTOSWBD-SFYZADRCSA-N 297.277 -0.211 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@H](CC(N)=O)C1 827267994 LFMHATYNSRBOIV-AEJSXWLSSA-N 298.343 -0.651 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCN(C)C(=O)C1 843646493 WFILLWKBYYQGKK-AEJSXWLSSA-N 283.328 -0.573 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnn(C)n1 843652501 BFZPLUAZTJCXEI-RQJHMYQMSA-N 253.262 -0.999 50 20 CBGD C=C[C@@](C)(O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 854179660 GJSGEUIQPPQALL-BXUZGUMPSA-N 292.291 -0.089 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)C1(n2cnnn2)CC1 854246165 IOEMZVLEVAPOJY-UHFFFAOYSA-N 286.295 -0.068 50 20 CBGD CCS(=O)(=O)N[C@H](C)C(=O)NNc1cccc(F)n1 854442630 DPODWXUWRQHVAJ-SSDOTTSWSA-N 290.320 -0.008 50 20 CBGD CN1C(=O)CC[C@@H]1CC(=O)NNC(=O)c1cc[nH]n1 855355487 ZDRLSJIFNQRTQJ-SSDOTTSWSA-N 265.273 -0.818 50 20 CBGD CC(=O)NNC(=O)c1ccc(C(=O)N2CCOCC2)cc1 858109604 UPQPYFWGHHRMFV-UHFFFAOYSA-N 291.307 -0.060 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCCOCC2CC2)N1 858205008 WHNKSLOZPGTALM-SECBINFHSA-N 284.316 -0.978 50 20 CBGD CCO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858527293 PQDXXAKOUNEIGH-OPRDCNLKSA-N 298.343 -0.447 50 20 CBGD CCc1nn(C)cc1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 860873826 NSPVDPZOJGSHGS-MRVPVSSYSA-N 294.315 -0.586 50 20 CBGD CNc1snc(C)c1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862450478 UTKACYFKHRVDPR-ZCFIWIBFSA-N 297.340 -0.467 50 20 CBGD C=CCOCCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862456037 LUIWDXUOOIOTQZ-VIFPVBQESA-N 269.301 -0.605 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CS(C)(=O)=O)c1O 863459086 NGMYXVRHGHKBSY-UHFFFAOYSA-N 286.309 -0.494 50 20 CBGD COC(=O)[C@]1(F)CCN(C(=O)c2cccc(B(O)O)c2)C1 863874958 GPQUPDHJTGTAKT-ZDUSSCGKSA-N 295.075 -0.906 50 20 CBGD CC(C)(CO)CNC(=O)c1ccc(B(O)O)cc1 866820293 RZPBZMUQITWTOY-UHFFFAOYSA-N 251.091 -0.885 50 20 CBGD CC[C@]1(C(=O)NNC(=O)[C@H]2CCCCO2)CCNC1=O 868619034 FWYIHJOOJJMZLL-RNCFNFMXSA-N 283.328 -0.381 50 20 CBGD COC1(C(=O)NNC(=O)c2cccnn2)CCC1 882057186 PXXADKMPKQTBIT-UHFFFAOYSA-N 250.258 -0.193 50 20 CBGD CC1(C)CN(C(=O)NNC(=O)c2cccnn2)CCO1 883850032 ONGUNVBJMQVQLV-UHFFFAOYSA-N 279.300 -0.058 50 20 CBGD CC[C@@H](C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)N(C)C 908279384 LJZLHOMUGCGAJF-QWRGUYRKSA-N 291.417 -0.181 50 20 CBGD Cc1csc(CC(=O)NNC(=O)CN2CC[C@H]2CO)n1 934022776 OZDKMYXIBLNBCU-VIFPVBQESA-N 298.368 -0.792 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cnns1 1116560746 VRTNICGJYONNGZ-UHFFFAOYSA-N 252.259 -0.735 50 20 CBGD Cn1nnc2c1C[C@H](C(=O)NNC(=O)C1CC1)CC2 1117702964 RBDLDAUUOJNDQJ-MRVPVSSYSA-N 263.301 -0.523 50 20 CBGD C=CCNC(=O)CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 1118187453 OTTXJTXIEZRQCM-IUCAKERBSA-N 284.316 -0.956 50 20 CBGD C[C@H](O)CN(C)NC(=O)Cn1nc2n(c1=O)CCCCC2 1119645485 UNYRQXSWXQZBSB-JTQLQIEISA-N 297.359 -0.885 50 20 CBGD COc1cccc(C[C@@H](O)C(=O)NNC(=O)C(C)(C)O)c1 1255918752 GEYQJTZPRXDJOH-LLVKDONJSA-N 296.323 -0.483 50 20 CBGD Cc1cccc(C(=O)NNC(=O)C(=O)NCC(F)F)n1 1325000003 VHVKNALDNDFYOU-UHFFFAOYSA-N 286.238 -0.468 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NN=Cc1c(C(=O)O)cnn1C 1327662387 MGWRKOJSLRLPPB-JGVFFNPUSA-N 280.284 -0.007 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1nccn1C 1328121187 YUHKTOHCBSXUSJ-BDAKNGLRSA-N 281.316 -0.325 50 20 CBGD N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O 1328505874 SLDXSMXVCLFHKN-NKLKJHRZSA-N 275.264 -0.738 50 20 CBGD CCC(=O)C1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 1329530524 MTXYGVLLSHPZCA-SSDOTTSWSA-N 267.285 -0.828 50 20 CBGD CNC(=O)NNC(=O)c1ccnc(C(=O)OC)c1 1331310229 UBQGEUBXVMJECV-UHFFFAOYSA-N 252.230 -0.558 50 20 CBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cncc(OC)n1 1332595402 IIIAFLSBTIVWNZ-ZETCQYMHSA-N 295.299 -0.383 50 20 CBGD Nc1cnnc(NNC(=O)C(=O)NCC(F)F)c1Cl 1343816088 NVABZCRTNMELEW-UHFFFAOYSA-N 294.649 -0.463 50 20 CBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNc1ccc(C#N)cn1 1347765464 SXFBYEYXODJUAY-ZYHUDNBSSA-N 286.339 -0.215 50 20 CBGD CCOC(=O)NNC(=O)Cc1csc(CN)n1 1578007670 XKZLVBDWONHXCE-UHFFFAOYSA-N 258.303 -0.078 50 20 CBGD COCCCOCCC(=O)NNC(=O)[C@@H]1CCCNC1 1579017023 RBTOPJVLMGRIOZ-LLVKDONJSA-N 287.360 -0.423 50 20 CBGD CO[C@@H]1C[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1579867678 CAPBSTJFNIIYPO-HTQZYQBOSA-N 275.272 -0.260 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCc2ccc(N)cc2)nn1 1579953408 XUPUVXXZNMLNDM-UHFFFAOYSA-N 289.299 -0.459 50 20 CBGD NCC[C@H](NC(=O)NNC(=O)c1cn[nH]c1)C(F)F 1580283261 LMVIQEBNLCNFBF-LURJTMIESA-N 276.247 -0.664 50 20 CBGD CCNC(=O)NNC(=O)c1cscc1-c1nn[nH]n1 1590744516 QKIOXABANVGCON-UHFFFAOYSA-N 281.301 -0.108 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)CCC(=O)O 1591702949 AGHXFCZXHGKHPC-UHFFFAOYSA-N 276.289 -0.212 50 20 CBGD Cc1cc(C(=O)NNC(=O)CO)cc(C)c1-c1nn[nH]n1 1591929216 PABKGIOHBDISED-UHFFFAOYSA-N 290.283 -0.763 50 20 CBGD C[C@@H]1C[C@H](CCNC(=O)NNC(=O)C(=O)O)CCO1 1594232525 MDVOHOFEYXMLAB-HTQZYQBOSA-N 273.289 -0.393 50 20 CBGD O=C(O)Cn1cc(C(=O)NNC(=O)CC2CCCC2)nn1 1595143440 FIJWBRZIXAXDCS-UHFFFAOYSA-N 295.299 -0.296 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CCOC[C@H]1C(=O)O 1596864924 YLRGZFTZCKPIAK-XZLDQRQTSA-N 254.242 -0.258 50 20 CBGD COc1cc(F)cc(NC(=O)C(=O)NNC(=O)C(=O)O)c1 1599425969 UTEIQQFCKKXPAC-UHFFFAOYSA-N 299.214 -0.995 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1c[nH]c(C(=O)O)c1 1609880078 VKRHAMUEYQOESO-SVRRBLITSA-N 281.268 -0.101 50 20 CBGD O=C(CNC(=O)c1cccs1)NNC(=O)NC1CC1 64429114 CYPYNRSDZKWBCW-UHFFFAOYSA-N 282.325 -0.029 50 20 CBGD COc1ncccc1C(=O)NNC(=O)CN(C)C 170796837 VKYILXYXPXZQQS-UHFFFAOYSA-N 252.274 -0.587 50 20 CBGD C[C@H](Oc1cccnc1)C(=O)NNC(=O)N1CCOCC1 265607313 WAUVBIQGNWRBET-JTQLQIEISA-N 294.311 -0.078 50 20 CBGD C[C@@H](O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 270721763 ADQFTNFLMRIBSE-XCBNKYQSSA-N 266.253 -0.645 50 20 CBGD Cn1nccc1COCC(=O)NNC(=O)N1CCOCC1 283234550 ABBPJISCRKWFTQ-UHFFFAOYSA-N 297.315 -0.990 50 20 CBGD CO/N=C/C(=O)NNC(=O)Cn1nc(C)cc1C 283729606 NYVRWIPLWNHEBD-VZUCSPMQSA-N 253.262 -0.720 50 20 CBGD C#CCO[C@@H](C)C(=O)NNC(=O)Cn1nc(C)cc1C 294253714 FUCSIMUJXDJYJR-NSHDSACASA-N 278.312 -0.314 50 20 CBGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)c1cccnc1 298734553 ORUSTCVDVJPOTQ-UHFFFAOYSA-N 299.352 -0.087 50 20 CBGD COC(=O)N(C)CCCC(=O)NNC(=O)c1c[nH]nc1C 491342025 MRUGGIJFHIAFHU-UHFFFAOYSA-N 297.315 -0.042 50 20 CBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NNC(C)=O)C2 496101213 JAUBBPDGZSNEPA-AEJSXWLSSA-N 267.285 -0.203 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H]1NC(=O)O[C@@H]1C 496310769 VUMQRLRXKFNZOB-RQJHMYQMSA-N 258.278 -0.386 50 20 CBGD CC(=O)NCC(C)(C)C(=O)Nc1cccc(B(O)O)c1 584911576 JUIHAITWKSEAGD-UHFFFAOYSA-N 278.117 -0.533 50 20 CBGD CC[C@H](CCO)NC(=O)c1cc(B(O)O)ccc1F 584962519 HXRGYDITIQTJSA-SECBINFHSA-N 269.081 -0.604 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H]([C@@H]2CCOC2)C1 584965090 LHNAZQOILSZUFM-CHWSQXEVSA-N 289.140 -0.135 50 20 CBGD O=C(N[C@@H]1CCO[C@@H]1C1CC1)c1cccc(B(O)O)c1 584967856 NTRZTSAODXVVBT-CHWSQXEVSA-N 275.113 -0.336 50 20 CBGD C=CCN(CCOC)C(=O)c1ccc(B(O)O)cc1 584981651 ZKEGPODCYGMBIE-UHFFFAOYSA-N 263.102 -0.359 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@H](CO)CC1 584994471 JVCQXCSADDIMMX-JTQLQIEISA-N 295.119 -0.260 50 20 CBGD C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C[C@@H]1CO 585010017 GUFMJOMTEOTUOT-ZYHUDNBSSA-N 277.129 -0.543 50 20 CBGD CCCN1CC[C@@H](NCc2ccc(B(O)O)cc2)C1 585050101 QSQOVASCIKHHPH-CQSZACIVSA-N 262.162 -0.060 50 20 CBGD COc1cncc(S(=O)(=O)N2CC[C@H](B(O)O)C2)c1 585056289 MQFSCQQSLLHRBA-QMMMGPOBSA-N 286.118 -0.672 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]1C(=O)O)c1ccccc1O 739453526 KKVRDYVOPNBEST-HTQZYQBOSA-N 264.237 -0.126 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@H]1CC(=O)N(C2CC2)C1 745988263 WMXROEYSUSMJMX-VIFPVBQESA-N 296.327 -0.930 50 20 CBGD CC[C@H](C(=O)NNC(=O)N1CCOCC1)N1CCCC1=O 746184143 GEYRJFIIKYFQHV-SNVBAGLBSA-N 298.343 -0.540 50 20 CBGD CO[C@@H](C)C(=O)NNC(=O)CNC(=O)c1ccco1 751204199 VWFGEWUCTDVNKJ-ZETCQYMHSA-N 269.257 -0.808 50 20 CBGD O=C(CO)NNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 753444375 LZBRKIIPFSCYTK-UHFFFAOYSA-N 278.224 -0.171 50 20 CBGD Cn1cc(C(=O)NNC(=O)Nc2ccn(C)n2)cn1 756294272 QGUDVNIFGVHBKS-UHFFFAOYSA-N 263.261 -0.380 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cnn2ncccc12 765316113 GFGMFZKOARKNLB-UHFFFAOYSA-N 285.267 -0.544 50 20 CBGD CN1CCN(c2ncc(C=NN(C)C(N)=O)cn2)CC1 767903430 AHEGXIBDLKELCR-UHFFFAOYSA-N 277.332 -0.427 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(COC)cc1 774614383 BQRWWTFNQLGKTO-UHFFFAOYSA-N 273.314 -0.045 50 20 CBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)N2CCOCC2)CCO1 776343176 RFYOCBZGMLTCHD-ZJUUUORDSA-N 271.317 -0.126 50 20 CBGD CN(C)S(=O)(=O)CCC(=O)NNc1ccccn1 777469036 NUISTDUPCOEQJM-UHFFFAOYSA-N 272.330 -0.194 50 20 CBGD O=C(CO)NNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 777781283 LVGYLWJYXIMOPY-LBPRGKRZSA-N 294.307 -0.002 50 20 CBGD CC(=O)N(CCC(=O)NNC(=O)CO)Cc1ccccc1 777781492 VMZQXAPCPGGAEY-UHFFFAOYSA-N 293.323 -0.435 50 20 CBGD NC(=O)c1ccc(C(=O)NN=c2cc[nH]cc2)nc1 780760979 AEMMMDNZNBEZFP-UHFFFAOYSA-N 257.253 -0.246 50 20 CBGD C[C@@]1(C(=O)NNC(=O)C(=O)N2CCCC2)CCCOC1 781327517 LNOGECFMPIJPTH-CYBMUJFWSA-N 283.328 -0.427 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 786845217 MCHVWGNQNUWJBJ-HTQZYQBOSA-N 256.306 -0.420 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)CC(F)(F)F 789901742 WMCHCUOTZWKVMH-UHFFFAOYSA-N 255.196 -0.388 50 20 CBGD COc1cncc(C(=O)NNC(=O)NC(C)C)n1 790533444 LNYRNDYPVWQARE-UHFFFAOYSA-N 253.262 -0.162 50 20 CBGD Cn1cccc1C(=O)NNC(=O)C1(S(C)(=O)=O)CC1 791474380 CXZKHJAUGSCLTE-UHFFFAOYSA-N 285.325 -0.637 50 20 CBGD C#Cc1cncc(C(=O)NNC(=O)N2CCN(C)CC2)c1 807381117 DPSIOLKBOVCVPV-UHFFFAOYSA-N 287.323 -0.335 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccn(C)n1 814762758 JSVIUHMSCMBVKY-LLVKDONJSA-N 279.344 -0.162 50 20 CBGD C[C@H](OC[C@@H]1CCCO1)C(=O)NN(C)[C@H](C)CO 823964647 CKVFHTBYXVJXJS-VWYCJHECSA-N 260.334 -0.086 50 20 CBGD CC[C@@H]1COCCN1CC(=O)NNC(=O)C(C)C 827840227 LKKHUDKVQJKYHI-SNVBAGLBSA-N 257.334 -0.099 50 20 CBGD CCOC(=O)c1cc(C(=O)NNC(=O)CO)[nH]c1C 827894766 SFWHOTDRQQMTCI-UHFFFAOYSA-N 269.257 -0.747 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@H]2CCCN2C=O)n1 834815793 LVEBMRIOEJXUPN-LLVKDONJSA-N 276.296 -0.228 50 20 CBGD COc1coc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1=O 843657306 QDUNSDVVPDHCQQ-YUMQZZPRSA-N 296.279 -0.166 50 20 CBGD C=CCn1cc(C(=O)NNC(=O)NCC2CC2)nn1 843775101 PBIKMMJVRWSZRH-UHFFFAOYSA-N 264.289 -0.182 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)C2)CC1 844137100 MDNDXLBWKWBMCI-VIFPVBQESA-N 268.317 -0.656 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 854925644 JDWIZXYOSASRGQ-SECBINFHSA-N 286.401 -0.042 50 20 CBGD CC[C@H](C)[C@H](NC(C)=O)C(=O)NNC(=O)c1cc[nH]n1 855355621 BSJSQYFIILWQIO-XVKPBYJWSA-N 281.316 -0.279 50 20 CBGD COC[C@H](C)CNC(=O)NNC(=O)c1cn[nH]c1 858190553 KQWFGRROAADCDV-SSDOTTSWSA-N 255.278 -0.364 50 20 CBGD O=C(NC[C@@H]1CCCCO1)NNC(=O)c1cn[nH]c1 858279398 ZZSHEXKOFVUDJY-VIFPVBQESA-N 267.289 -0.077 50 20 CBGD C[C@H](C(=O)NNC(=O)c1cc[nH]n1)[C@@H]1CCC(=O)N1 862168457 ZOMDJAUYYYAESO-BQBZGAKWSA-N 265.273 -0.915 50 20 CBGD O=C(/C=C/c1ccco1)NNC(=O)[C@@H]1CCC(=O)N1 862448793 HHHSLUACRZHTPC-SGRBOOSSSA-N 263.253 -0.281 50 20 CBGD C[C@@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(=O)OC(C)(C)C 862458851 FCYYZAVSDWUCFN-YUMQZZPRSA-N 299.327 -0.610 50 20 CBGD CCOC(=O)C(C)(C)C(=O)COc1ccc(B(O)O)cc1 863865926 MNCMJUYDQFMLAZ-UHFFFAOYSA-N 294.112 -0.096 50 20 CBGD O=C(NCC1SCCS1)c1ccc(B(O)O)cc1 863885499 JZBTVRBPLTZKOX-UHFFFAOYSA-N 283.183 -0.098 50 20 CBGD CCOC(=O)N1CC[C@@H](NCc2ccccc2B(O)O)C1 863890854 GCFIKKVLDDTZKA-GFCCVEGCSA-N 292.144 -0.313 50 20 CBGD O=C(/C=C\CN1CCOCC1)NNC(=O)NCC1CC1 865015742 IVDMFAULDKSDMB-UPHRSURJSA-N 282.344 -0.385 50 20 CBGD CC(C)(C)C(=O)NNC(=O)N1CCCNC(=O)C1 872885123 FMKWGERLMRHKDI-UHFFFAOYSA-N 256.306 -0.405 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)C[C@H]1CCC(=O)N1 899994842 BHCHOTMYMCMPEY-SSDOTTSWSA-N 272.374 -0.051 50 20 CBGD N#CSCCCNS(=O)(=O)N1CCOCC1 916964623 NNXSSTCTUACDHU-UHFFFAOYSA-N 265.360 -0.243 50 20 CBGD CCO[C@H]1C[C@H]1C(=O)NNC(=O)CN1CCCC1=O 920432605 CWJNWZOKRZVPFH-BDAKNGLRSA-N 269.301 -0.819 50 20 CBGD CN1CC[C@H]1CNC(=O)NNC(=O)CC(F)(F)F 925403135 GKILWBCRGXVUBI-LURJTMIESA-N 268.239 -0.027 50 20 CBGD COCc1nc(SCC(=O)NNC(=O)C2CC2)n[nH]1 1116276305 JHPYCCROQLUFIO-UHFFFAOYSA-N 285.329 -0.399 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCCN(C(N)=O)C1 1119048125 VFYCOJXVZVLFHA-IUCAKERBSA-N 258.322 -0.879 50 20 CBGD O=C(NN=Cc1ccncc1)N[C@H]1CCS(=O)(=O)C1 1251257741 ZBWFNMFVLYTVOR-JTQLQIEISA-N 282.325 -0.098 50 20 CBGD C[C@H]1C[C@@H](C(=O)NNC(=O)C(=O)Nc2ccccn2)CO1 1255491892 XMTHOOUJBHACOD-DTWKUNHWSA-N 292.295 -0.408 50 20 CBGD CC(C)CN1CCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1262633112 BWEUBJVVJRBDJD-WDEREUQCSA-N 296.371 -0.467 50 20 CBGD CC(C)C(=O)NNC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 1319283732 IPMVOVCSXYJWFY-SFYZADRCSA-N 272.305 -0.994 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cc(C)cc(C)n1 1320995978 DFVIPFGZFFVMEW-UHFFFAOYSA-N 280.284 -0.569 50 20 CBGD CCNC(=O)N(C)NC(=O)C[C@H]1CCCS(=O)(=O)C1 1324993668 CVUZQTNHPPUWOR-SECBINFHSA-N 291.373 -0.106 50 20 CBGD CC(C)(CCC(=O)NNC(=O)CS(C)(=O)=O)[N+](=O)[O-] 1329207262 FWFINBXRSHIQEN-UHFFFAOYSA-N 295.317 -0.986 50 20 CBGD O=C(C[C@H]1CC(=O)N1)NNC(=O)CC(F)(F)F 1329332978 AGDNLNOMOXDWCJ-SCSAIBSYSA-N 253.180 -0.635 50 20 CBGD CNc1nc(C)cc(C(=O)NNc2cnnn2C)n1 1330425935 WYSZMGVPXYWFKU-UHFFFAOYSA-N 262.277 -0.288 50 20 CBGD CN(C)c1ncc(C=NNC(=O)CS(C)(=O)=O)cn1 1331821420 NIXXVAGFRSBLAJ-UHFFFAOYSA-N 285.329 -0.963 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1C[C@H]2CC[C@@H]1O2 1351353665 RYRJBBMRQLCBEP-HLTSFMKQSA-N 265.273 -0.326 50 20 CBGD C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](B(O)O)C1 1351730318 WIHVTEHASLFPOG-RKDXNWHRSA-N 275.139 -0.986 50 20 CBGD C[C@@H]1CN(C)CC1=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1 1549320252 YPUUKEWBLVYLPK-NQBHXWOUSA-N 280.372 -0.097 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1[C@@H](CN)C1(F)F 1576902764 CNFXOFBPIXDVQH-WCTZXXKLSA-N 277.271 -0.601 50 20 CBGD CCCNC(=O)NNC(=O)c1cc(-c2nn[nH]n2)[nH]c1C 1577684540 ZIBZHSCMQOUVFX-UHFFFAOYSA-N 292.303 -0.143 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)O 1605618334 JQNDDUDOHQRKGU-BJPMOSCESA-N 278.268 -0.034 50 20 CBGD O=C(NCCc1cccc(F)c1F)NNC(=O)C(=O)O 1608451936 XVBQFLSDPVTRHA-UHFFFAOYSA-N 287.222 -0.078 50 20 CBGD O=C(O)[C@@]12C[C@@H](NCc3cccc(B(O)O)c3)C[C@@H]1C2 1608817923 MFHWDRZAGPKNEG-OSMZGAPFSA-N 275.113 -0.291 50 20 CBGD CC1(C)CN(S(=O)(=O)CCl)C[C@H](CO)O1 158714346 GMVYCZOXBUBTBZ-SSDOTTSWSA-N 257.739 -0.016 50 20 CBGD COC(=O)NNC(=O)[C@@H](C)NC(=O)c1ccoc1 274169895 AXACYBVILVILIV-ZCFIWIBFSA-N 255.230 -0.215 50 20 CBGD CCOC1CC(C(=O)NNc2ccc(C(N)=O)nn2)C1 287570407 FCUKEXYAKMODFI-UHFFFAOYSA-N 279.300 -0.166 50 20 CBGD O=C(NNc1nccnc1Cl)[C@H]1CN2CCCN1CC2 371231396 VZTLIWIIKIFPRI-SECBINFHSA-N 296.762 -0.037 50 20 CBGD C[C@]1(CO)CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584964541 GEJKZFJGLAOKBX-AWEZNQCLSA-N 277.129 -0.399 50 20 CBGD C[C@H]1C[C@H](NC(=O)c2cc(B(O)O)ccc2F)CCO1 584968839 FNCWMJBVFBFKLI-WCBMZHEXSA-N 281.092 -0.197 50 20 CBGD Cn1ccnc1[C@H](NC(=O)c1cccc(B(O)O)c1)C1CC1 584988689 RHTLRCQQZVYTRQ-CYBMUJFWSA-N 299.139 -0.019 50 20 CBGD O=C(NC[C@H]1CCC[C@@H](CO)C1)c1cccc(B(O)O)c1 584990660 ZPELGDJJOOKYOO-NWDGAFQWSA-N 291.156 -0.105 50 20 CBGD CO[C@@](C)(CNC(=O)c1cccc(B(O)O)c1)C1CC1 584991433 YSILPKWHKZCYAL-AWEZNQCLSA-N 277.129 -0.089 50 20 CBGD C[C@H](CCCCO)NC(=O)c1cccc(B(O)O)c1 584994569 BDKBSIXVQAZYMZ-SNVBAGLBSA-N 265.118 -0.353 50 20 CBGD CC(C)Cc1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 585007701 HBDISRGUWKWEQN-UHFFFAOYSA-N 287.128 0.540 50 20 CBGD CC1(C)[C@H](NCc2ccc(B(O)O)o2)[C@H]2CCO[C@H]21 585025196 NZNAFJZSEAERBZ-YUSALJHKSA-N 265.118 -0.138 50 20 CBGD CC(C)[C@@H](NCc1ccc(B(O)O)o1)c1nncn1C 585040879 RBQIZYXQRKRUQQ-LLVKDONJSA-N 278.121 -0.425 50 20 CBGD C[S@@](=O)C1(CNCc2ccc(B(O)O)cc2)CC1 585042155 JWPBLEYFHYFRCN-GOSISDBHSA-N 267.159 -0.633 50 20 CBGD C[C@H](CCCO)CNCc1ccc(B(O)O)cc1 585044071 YIMGZYFXWRAWFZ-LLVKDONJSA-N 251.135 -0.135 50 20 CBGD CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCB(O)O 585059661 WGIIZYCEPPEORR-UWVGGRQHSA-N 285.153 -0.665 50 20 CBGD C[C@H](C(=O)NNC(=O)c1ccccn1)N1C(=O)CCC1=O 727721361 FYXSGGHXXMQUDN-MRVPVSSYSA-N 290.279 -0.620 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)CN1CSCC1=O 728852081 LIOVMNBDDKVYHX-UHFFFAOYSA-N 294.336 -0.696 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 733777174 QLSGGLVUUTYSAI-HRDYMLBCSA-N 269.301 -0.774 50 20 CBGD CN1CC[C@@H](NC(=O)NNC(=O)c2ccccc2O)C1=O 739059361 NAEJROVVSZRRQT-SECBINFHSA-N 292.295 -0.433 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@@H]1C(=O)O)c1ccccc1O 739453530 KKVRDYVOPNBEST-SFYZADRCSA-N 264.237 -0.126 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]1C(=O)O)[C@@H]1Cc2ccccc2O1 739453537 KLGJZFHIKFLFLC-KKZNHRDASA-N 290.275 -0.142 50 20 CBGD CCc1ocnc1C(=O)NNC(=O)N1CCOCC1 739710410 AHHSNPHBIMZEMZ-UHFFFAOYSA-N 268.273 -0.076 50 20 CBGD CCCN(C)CC(=O)NNC(=O)NCCCOC 741211664 JVQJSISFXOFXJH-UHFFFAOYSA-N 260.338 -0.305 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)CCNC(N)=O)cc1 747214479 HRUFJAQFGLGLPY-UHFFFAOYSA-N 275.268 -0.622 50 20 CBGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)C1CCCC1 747358687 CMOJGYLVACOZRW-VIFPVBQESA-N 268.317 -0.133 50 20 CBGD CN(NC(=O)c1ccc(O)c([N+](=O)[O-])c1)C(N)=O 755707977 NCGRFKWQRIXCDO-UHFFFAOYSA-N 254.202 -0.044 50 20 CBGD CNC(=O)NN=C(CNS(C)(=O)=O)c1ccccc1 766697943 NARTTYJYGIORIU-UHFFFAOYSA-N 284.341 -0.131 50 20 CBGD CC(C)(O)C(=O)NNC(=O)Cc1ccc(C(N)=O)cc1 768243675 GRHWYTHTQFOLTD-UHFFFAOYSA-N 279.296 -0.754 50 20 CBGD CC(C)CN1C[C@H](C(=O)NNC(=O)C(C)(C)O)CC1=O 768259322 LGGRWDJSSDBDAA-SECBINFHSA-N 285.344 -0.591 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CCN(C(=O)CC)C1 773058987 KSIIDCKPFZJWLZ-MRVPVSSYSA-N 256.306 -0.405 50 20 CBGD COC(=O)[C@@H](NCC(=O)NNC(=O)C(C)(C)C)C1CC1 794566532 JIBQHBCZEFUNOG-JTQLQIEISA-N 285.344 -0.279 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)NCC(F)(F)F 798316604 QTKOVRRBPGSIIT-UHFFFAOYSA-N 270.211 -0.595 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)N(C)C[C@H](C)C#N 800111375 LKSSLGIZAAMHKS-MRVPVSSYSA-N 277.350 -0.511 50 20 CBGD CN1CCN(C(=O)NNC(=O)CCc2ccncn2)CC1 807381938 PMRHZMHQKRTZFP-UHFFFAOYSA-N 292.343 -0.603 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CCOCCOC 808792026 RSDPQCWDYXUUTR-SNVBAGLBSA-N 275.349 -0.473 50 20 CBGD O=C(NNc1nc[nH]n1)[C@H]1CCCN(C(=O)C2CC2)C1 816633111 OBFSTZNWJTVLEZ-VIFPVBQESA-N 278.316 -0.104 50 20 CBGD CCC[C@@H](OC)C(=O)NNC(=O)N1CCN(C)CC1 830240744 MNNLWKHOLKGOMM-SNVBAGLBSA-N 272.349 -0.210 50 20 CBGD O=C(O)[C@H]1C[C@H]1C(=O)NNc1ncnc2[nH]cnc12 833179080 MBYRTIDLJLOKBG-UHNVWZDZSA-N 262.229 -0.483 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccn(C)n1 843649870 XYGRUIHJQITPNQ-YUMQZZPRSA-N 252.274 -0.394 50 20 CBGD O=C(NNC(=O)C1(n2cnnn2)CC1)c1ccccc1 854137976 AZZSIWSKORPWRW-UHFFFAOYSA-N 272.268 -0.377 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)C2(N(C)C)CC2)n1 854233393 YJTPXXBFMKKHPX-UHFFFAOYSA-N 279.344 -0.258 50 20 CBGD CCOCCn1cc(C(=O)NNC(=O)CN(C)C)cn1 857109630 OYQBPAQAIDNSFJ-UHFFFAOYSA-N 283.332 -0.758 50 20 CBGD CC(C)CONC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858313556 FZQAQUUQEUTXCS-ZETCQYMHSA-N 258.278 -0.817 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)C2(O)CCCCC2)N1 862456413 PERMNJXMXQDRGE-MRVPVSSYSA-N 269.301 -0.892 50 20 CBGD COC(OC)C(=O)NNC(=O)COc1ccc(F)cc1 873799304 XTCQPDITWZPYRX-UHFFFAOYSA-N 286.259 -0.029 50 20 CBGD COC(=O)N(C)NC(=O)NCCNC(=O)C1CC1 875006707 PFOZTFURZCMRJP-UHFFFAOYSA-N 258.278 -0.575 50 20 CBGD O=C(NNC(=O)c1n[nH]c(O)n1)c1cccc([N+](=O)[O-])c1 918280388 MJKRSYCPCNXGMP-UHFFFAOYSA-N 292.211 -0.507 50 20 CBGD CCOC(=O)N1CSC[C@@H]1C(=O)NNC(=O)N(C)C 931120392 ZYTNEPJVDSSCND-SSDOTTSWSA-N 290.345 -0.180 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)Cc2cccnc2)CC1=O 1115982577 QRYZHYZYIYMMEX-NSHDSACASA-N 290.323 -0.360 50 20 CBGD CCn1cc(S(=O)(=O)NNC(=O)N(C)C)nc1C 1116434643 LAYZLUKXQWDQHC-UHFFFAOYSA-N 275.334 -0.324 50 20 CBGD C[C@H]1C[C@H](C(=O)NNC(=O)Cc2cc[nH]n2)CCO1 1116560401 LENSYNRSXQDUOW-DTWKUNHWSA-N 266.301 -0.085 50 20 CBGD CNS(=O)(=O)c1cc(C(=O)NNc2ccn(C)n2)co1 1116837118 AWFPRXYMKZRJGF-UHFFFAOYSA-N 299.312 -0.322 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CO[C@@H]1CCOC1 1261501376 ZJZANOIUCZPZEH-IVZWLZJFSA-N 272.301 -0.636 50 20 CBGD COCCS(=O)(=O)CC(=O)NNc1ncc(F)cn1 1319668675 NZPBEQPQSUKESH-UHFFFAOYSA-N 292.292 -0.880 50 20 CBGD CN(NC(=O)c1cc(S(C)(=O)=O)ccc1F)C(N)=O 1320527179 XEMMHPWNPZDHHH-UHFFFAOYSA-N 289.288 -0.116 50 20 CBGD C[C@@H](C(=O)NNc1ccc(-n2ccnc2)nn1)n1cncn1 1320948227 DOFMJVIMIMGPDV-VIFPVBQESA-N 299.298 -0.042 50 20 CBGD CN(C)C(=O)NNC(=O)CCCCN1CCOCC1 1321144432 GPYAUSSPTUFQLI-UHFFFAOYSA-N 272.349 -0.209 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)C(=O)NC1CC1 1321864325 NZUKLHPKPPKOSC-UHFFFAOYSA-N 262.269 -0.950 50 20 CBGD COc1ccc(NC(=O)C(=O)NNC(=O)CCO)cc1F 1325519293 HDBBPFIAUDUCGX-UHFFFAOYSA-N 299.258 -0.697 50 20 CBGD COC1(C(=O)NNc2ncccn2)CCNCC1 1328491044 BUAYDJFAIZPOOO-UHFFFAOYSA-N 251.290 -0.312 50 20 CBGD Cc1ncccc1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1328717849 COVVGUPQWGNUMA-JTQLQIEISA-N 291.311 -0.501 50 20 CBGD C[C@H](CO)N(C)NC(=O)CCCS(C)(=O)=O 1332471755 ZZWSEMUGWLTKEW-MRVPVSSYSA-N 252.336 -0.845 50 20 CBGD Cn1cnc(S(=O)(=O)NNC(=O)c2ccccc2O)c1 1338124444 LDVJIQNOWQAMGD-UHFFFAOYSA-N 296.308 -0.251 50 20 CBGD CC(C)n1nccc1NC(=O)C(=O)NNC(=O)C1CC1 1342590367 IEZOGKWVKTVRSV-UHFFFAOYSA-N 279.300 -0.040 50 20 CBGD O=C(NNC(=O)c1coc(C2CC2)n1)C(=O)N1CCCC1 1343025196 CMJWGDLYEHCJJI-UHFFFAOYSA-N 292.295 -0.065 50 20 CBGD O=C1C[C@@H](CNC(=O)NNc2ncc(Cl)cn2)CN1 1347928648 KKLDHKHIFMCZMK-ZCFIWIBFSA-N 284.707 -0.108 50 20 CBGD C#CCOCCN(C)C(=O)c1cc(B(O)O)ccc1F 1348360531 MPDFOGNUUKGXHO-UHFFFAOYSA-N 279.076 -0.773 50 20 CBGD CCn1ncc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)n1 1549312428 FANIKZYJQIOXDC-NWDGAFQWSA-N 292.343 -0.389 50 20 CBGD C[C@@]1(C(=O)NNC(=O)c2ccccc2F)C[C@H](O)CN1 1573602141 SJNCFBMIGXTHPJ-SDBXPKJASA-N 281.287 -0.300 50 20 CBGD C[C@@]1(C(=O)NNC(=S)Nc2ccccn2)C[C@H](O)CN1 1576351137 WXHNVFWTKUKUMX-UFBFGSQYSA-N 295.368 -0.488 50 20 CBGD CCOC(Cn1cc(C(=O)NNC(=O)CN)cn1)OCC 1578075804 SOSJSIQATARYQC-UHFFFAOYSA-N 299.331 -0.998 50 20 CBGD CS(=O)(=O)SCCNC(=O)C[C@H](N)C1CC1 1579349117 UKEZWLKMTQYGDW-QMMMGPOBSA-N 266.388 -0.077 50 20 CBGD O=C(NN=c1cc[nH]cc1)C1(C2(O)CNC2)CCC1 1580739952 TUIGCBUHBVMKFC-UHFFFAOYSA-N 262.313 -0.549 50 20 CBGD Cn1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)nn1 1592565965 RDANOGQGHUFTEC-UHFFFAOYSA-N 285.271 -0.248 50 20 CBGD O=C(O)[C@@H](C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)C1CC1 1594778848 BLAVEPYCMVYZGD-ZYUZMQFOSA-N 282.296 -0.188 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)c2ncccn2)O[C@H]1C(=O)O 1599876185 UJDXVWNYBTXMIO-BWZBUEFSSA-N 294.267 -0.884 50 20 CBGD Cc1nn(C)c(N)c1C=NNC(=O)NCC(=O)O 1600772863 ZJZJLICXTVDTAF-UHFFFAOYSA-N 254.250 -0.972 50 20 CBGD O=C(O)[C@H]1C[C@H](O)CN(S(=O)(=O)CCCCl)C1 1601766964 CGGGQBRXYDJSQF-YUMQZZPRSA-N 285.749 -0.288 50 20 CBGD O=C(O)Cn1ccc(NC(=O)NNC(=O)C2CCC2)n1 1602165665 SGTHYDRKGPGOLM-UHFFFAOYSA-N 281.272 -0.080 50 20 CBGD O=C(NNC(=O)c1cc[nH]n1)Nc1ccnc(C(=O)O)c1 1605815915 YROBQGFFQGVYJV-UHFFFAOYSA-N 290.239 -0.031 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc(C(=O)O)c(F)c1 1608343699 ZEZVLQOLGGHQIO-UHFFFAOYSA-N 271.204 -0.331 50 20 CBGD O=C(O)COCCNC(=O)NNC(=O)Cc1cccnc1 1608757636 QMXMLMRHDDYHAI-UHFFFAOYSA-N 296.283 -0.944 50 20 CBGD CC(C)NC(=O)C(=O)N/N=C1/C(=O)Nc2ccccc21 8217561 WCTSIFLTEDHMEQ-UHFFFAOYSA-N 274.280 -0.016 50 20 CBGD CS(=O)(=O)CCNS(=O)(=O)CCCCl 37751148 IHSXIRRYTMOVHL-UHFFFAOYSA-N 263.768 -0.421 50 20 CBGD O=C(NNC(=O)c1c[nH]c2ccccc12)c1nc(=O)[nH][nH]1 127543793 JILRKLGBCOZLFH-UHFFFAOYSA-N 286.251 -0.346 50 20 CBGD O=C(NNC(=O)c1cc(F)ccc1O)C(=O)N1CCCC1 267529963 VEZQXAAIWUOQIJ-UHFFFAOYSA-N 295.270 -0.085 50 20 CBGD Cn1c(=O)[nH]c2ccc(C(=O)NNC(=O)C(C)(C)O)cc21 277982378 ONZSAYZNMUGOLN-UHFFFAOYSA-N 292.295 -0.602 50 20 CBGD CN(C)C(=O)NNC(=O)CNC(=O)C1CCCCC1 299417862 MSCWMJWQVANKMH-UHFFFAOYSA-N 270.333 -0.015 50 20 CBGD CCOC(=O)NNC(=O)[C@H]1CN2CCCN1CC2 367149630 WULJENHLNXQQFI-SECBINFHSA-N 256.306 -0.846 50 20 CBGD CCOC(=O)NNC(=O)CCCCCNC(N)=O 490734417 QDJMKMYGBPHNDR-UHFFFAOYSA-N 260.294 -0.008 50 20 CBGD CC(C)CNC(=O)NC(=O)COc1ccc(B(O)O)cc1 584909015 ABQKISVYUGYSJA-UHFFFAOYSA-N 294.116 -0.773 50 20 CBGD CCN(CC)CCCNC(=O)c1cccc(B(O)O)c1 584924714 LHLYNVPZGIZFBF-UHFFFAOYSA-N 278.161 -0.172 50 20 CBGD CC(C)(C)[C@@H](CCO)NC(=O)c1cccc(B(O)O)c1 584969113 BGLLLNDPGBBHCU-GFCCVEGCSA-N 279.145 -0.107 50 20 CBGD O=C(N[C@H]1CCSC1)c1ccc(B(O)O)c(F)c1 584985207 IPXGVLJQWOIITE-QMMMGPOBSA-N 269.106 -0.259 50 20 CBGD CN(CCCN1CCCC1)C(=O)c1cccc(B(O)O)c1 584986415 YZDSGEYQCHUREU-UHFFFAOYSA-N 290.172 -0.076 50 20 CBGD CCc1nc2n(n1)CCC[C@H]2NCc1ccc(B(O)O)o1 585028062 CTEGXMDCQDDNCC-SNVBAGLBSA-N 290.132 -0.262 50 20 CBGD CN1CCC(C)(CNCc2ccc(B(O)O)o2)CC1 585033670 IWXVLSOPVTZVHE-UHFFFAOYSA-N 266.150 -0.219 50 20 CBGD O=C1NCCCC[C@H]1NCc1ccc(B(O)O)cc1F 585033996 DPTFVIILXRNQEK-GFCCVEGCSA-N 280.108 -0.736 50 20 CBGD COC[C@@H](OC)c1nc(-c2ccc(B(O)O)cc2)no1 585052249 WBGAJFPPDNPLHW-SNVBAGLBSA-N 278.073 -0.250 50 20 CBGD CCOC[C@H](C)CS(=O)(=O)N1CC[C@H](B(O)O)C1 585056784 WWYUUXAAXQJSMW-UWVGGRQHSA-N 279.167 -0.463 50 20 CBGD Cc1c(C(=O)NCB(O)O)nnn1-c1ccccc1Cl 585059850 DBHJXNPQJVAZFB-UHFFFAOYSA-N 294.507 -0.029 50 20 CBGD CC(C)CNC(=O)N1CCC[C@H](C(=O)NCB(O)O)C1 585060516 SISDBPBGOQIHKJ-JTQLQIEISA-N 285.153 -0.808 50 20 CBGD Cc1cc(C)c2[nH]cc(C(=O)NCB(O)O)c(=O)c2c1 585073868 PEKRBRKTURSUIQ-UHFFFAOYSA-N 274.085 -0.113 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cnn(C)c1 728433815 OXQXCQWEQZIKFG-MRVPVSSYSA-N 287.345 -0.802 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=S)NC1CC1 734013653 UEJVQGREJPBPAN-SSDOTTSWSA-N 261.347 -0.304 50 20 CBGD N=C1NC(=O)[C@H](CC(=O)NNC(=O)c2ccc[nH]2)S1 742489589 LZKSDYWNKYKIJJ-LURJTMIESA-N 281.297 -0.668 50 20 CBGD COc1cc(C)nc(NNC(=O)CN2CCN(C)CC2)n1 746634453 FJEFDRAKVVWDIY-UHFFFAOYSA-N 294.359 -0.516 50 20 CBGD C[C@H](CNC(=O)NNc1ncccn1)S(C)(=O)=O 754669090 DGMNWGMIQPSOFS-SSDOTTSWSA-N 273.318 -0.464 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cnc3[nH]nnc3c2)n[nH]1 755647267 ZPLCIRKQMITTGB-UHFFFAOYSA-N 286.255 -0.541 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC1(C)C 758029442 LGYGEQBFXCTPST-RNFRBKRXSA-N 277.346 -0.882 50 20 CBGD N#Cc1ccc(NCC(=O)NNC(=O)C2CC2)nc1 765460133 KPGIYRJOORIDGJ-UHFFFAOYSA-N 259.269 -0.077 50 20 CBGD C[C@@H]1CC(=O)CC[C@@H]1C(=O)NNC(=O)C(C)(C)O 768244111 IVZWKUSUDFJCGW-APPZFPTMSA-N 256.302 -0.090 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)c2cc(C)[nH]n2)CC1 768275918 DGYZQDGLSZYCSY-UHFFFAOYSA-N 265.273 -0.995 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccncn1 770763071 MGFBVSNVUZXMLX-QMMMGPOBSA-N 283.288 -0.319 50 20 CBGD CC(=O)NNC(=O)CCn1c(C)cc(O)cc1=O 783510586 OWTAVZPQWHUFOH-UHFFFAOYSA-N 253.258 -0.580 50 20 CBGD CC(=NNC(=O)C(C)(C)O)c1cccc(S(N)(=O)=O)c1 785462676 QFBAQVOMMQSLMD-UHFFFAOYSA-N 299.352 -0.055 50 20 CBGD Cn1c(COC(=O)/C(C#N)=C\C2CC2)cc(=O)n(C)c1=O 786678920 IMPQSVAAPWFXEB-YHYXMXQVSA-N 289.291 -0.013 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc(-n2ccnc2)nc1 787952082 XTYDJAMXYQOCAQ-UHFFFAOYSA-N 289.295 -0.201 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cccnc1N1CCOCC1 823965157 JMBMYEGUEATGKI-NSHDSACASA-N 294.355 -0.124 50 20 CBGD C[C@@H](CN(C)C)NC(=O)NNC(=O)[C@H]1CCO[C@H]1C 827071349 DBNXYBJLJLWXMC-GUBZILKMSA-N 272.349 -0.308 50 20 CBGD CSCCNC(=S)NNC(=O)C[C@H]1CCC(=O)N1 831575594 PORLFMPHCBOHJD-SSDOTTSWSA-N 290.414 -0.487 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCN(Cc2nc[nH]n2)CC1 846525981 YQAYZQDONCQONC-PKNBQFBNSA-N 290.327 -0.107 50 20 CBGD C=CCNC(=S)NNC(=O)c1ccn(CCN(C)C)n1 847285284 GVJUUBDWGDIGTB-UHFFFAOYSA-N 296.400 -0.260 50 20 CBGD CCN1CCOC[C@H]1C(=O)NN(C)C(=S)NC 854923213 MWWFVHHZLNELHC-QMMMGPOBSA-N 260.363 -0.826 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@@H]2CCCCO2)N1 858279126 RPNYRNHFMAODSK-IUCAKERBSA-N 284.316 -0.836 50 20 CBGD CCOC(C)(C)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858378963 UEZAQLDFZOBHDP-QMMMGPOBSA-N 286.332 -0.590 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2csc3cncn23)N1 862454741 JNKCCGBEQMKLTJ-ZCFIWIBFSA-N 293.308 -0.565 50 20 CBGD O=C(CCCn1cccc1)NNC(=O)[C@H]1CCC(=O)N1 862457434 JHIRGMJVUBQGKY-SNVBAGLBSA-N 278.312 -0.306 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNCC(F)(F)C(F)(F)F 863090732 XEMJPAHLDJPEQR-VKHMYHEASA-N 278.181 -0.138 50 20 CBGD O=C(NCCOCC(F)F)c1cc(B(O)O)ccc1F 863880197 QNBIBOZSZROVGC-UHFFFAOYSA-N 291.034 -0.483 50 20 CBGD O=C(CN1C[C@@H]2C[C@H]1CN2)NNC(=O)c1ccccc1 866677576 NMBPQIXTZLYKEJ-RYUDHWBXSA-N 274.324 -0.506 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(F)CCOCC1 869728910 WZODHXIFGGTURJ-QMMMGPOBSA-N 290.291 -0.006 50 20 CBGD CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)COCCOC 869905623 CKMGIPKQYRGIEG-KOLCDFICSA-N 276.333 -0.142 50 20 CBGD COCCOCC(=O)NNC(=O)C(F)(F)C1(O)CCC1 869908519 PEYSWQQMBFKZTF-UHFFFAOYSA-N 296.270 -0.653 50 20 CBGD CN(C)CC(=O)NN=Cc1cn(C[C@@H]2CCCO2)nn1 872348358 WOEBCSQOWXZUCV-NSHDSACASA-N 280.332 -0.531 50 20 CBGD O=C(CN1CCCCCC1=O)NNC(=O)C1CCOCC1 920297633 KHONGBNGDKEUHD-UHFFFAOYSA-N 297.355 -0.037 50 20 CBGD N#C[C@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 932152124 PGRHKCYKRRIKPO-SECBINFHSA-N 250.302 -0.221 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)C(=O)NCC1CC1 1255623406 FZFVTZVOWQRAGF-UHFFFAOYSA-N 276.296 -0.702 50 20 CBGD CN(C)N(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCS(=O)(=O)C1 1261222697 UCKQCQOWBVBTGX-JTQLQIEISA-N 296.352 -0.008 50 20 CBGD C[C@@H](NC(=O)NNc1cccnn1)[C@@H]1CN(C)CCN1C 1263779056 XDKZPWQRWKRECU-MNOVXSKESA-N 293.375 -0.263 50 20 CBGD O=C(NNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1319984730 KRAJEUQVRMTGFI-QMMMGPOBSA-N 255.299 -0.041 50 20 CBGD COC(=O)c1cc(NC(=O)C(=O)NNC(C)=O)ccc1F 1320224681 UARMYVPCVIEORC-UHFFFAOYSA-N 297.242 -0.282 50 20 CBGD O=C(CS[C@H]1CCS(=O)(=O)C1)NNC(=O)C1CC1 1321405002 YJZCXGIOYFOZPW-QMMMGPOBSA-N 292.382 -0.536 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2CO[C@H](C)C2)nc1O 1321656337 NOJQBIGURKAZSH-IYSWYEEDSA-N 253.262 -0.246 50 20 CBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)Cc1cccnc1 1322256622 ZRYSNDJHTHHAST-VIFPVBQESA-N 299.352 -0.548 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1cn(C)cn1 1326487670 WKJBWIAZGSFPAZ-JGVFFNPUSA-N 288.329 -0.845 50 20 CBGD O=S(=O)(N1CC[C@H](B(O)O)C1)N1C[C@H]2CC[C@H]1C2 1329657061 NTBYIPASHJGLQS-GUBZILKMSA-N 274.151 -0.736 50 20 CBGD CS(=O)(=O)C1(C(=O)N2CC[C@H](B(O)O)C2)CCCC1 1331896166 PNWSYGIIAGBHEF-VIFPVBQESA-N 289.162 -0.581 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1C[C@H]1c1cncn1C 1332364175 BINHPXGUYDCONN-NXEZZACHSA-N 252.318 -0.131 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)C1CCC1 1335675450 DJYGPJIMSKLBRX-SNVBAGLBSA-N 255.318 -0.345 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(C(N)=O)cc1F 1337962094 ZFNRUTRKCZRLSR-UHFFFAOYSA-N 296.258 -0.580 50 20 CBGD CCOC(=O)[C@@H](Cc1ccccc1)NNC(=O)C(=O)OC 1343291427 DKIUSLMVPRDBOE-LLVKDONJSA-N 294.307 -0.045 50 20 CBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)c1ccccn1 1350786808 UDALRJRDQAUUDL-CMPLNLGQSA-N 289.339 -0.769 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1C[C@@]12CCNC2 1574334655 SQRKVVDPHYSCII-ZWNOBZJWSA-N 275.312 -0.344 50 20 CBGD NCCC(=O)NNC(=O)C[C@@H]1CCC2(CCOCC2)CO1 1580281718 NGHNHSSFNPWPPV-NSHDSACASA-N 299.371 -0.152 50 20 CBGD O=C(CC1(O)CCNCC1)NNC(=O)NCc1ccco1 1580501231 QEWPHJXDCFOXMG-UHFFFAOYSA-N 296.327 -0.385 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cc(-c2nn[nH]n2)cs1 1589326489 GSNPSNKWAOTRKM-UHFFFAOYSA-N 296.312 -0.540 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1cc(C(=O)O)n[nH]1 1594782720 IRXGCLGVWPAPSC-UHFFFAOYSA-N 290.239 -0.609 50 20 CBGD O=C(O)CC[C@H]1C[C@@H](C(=O)NNC(=O)C2CC2)CO1 1595003583 FLXODXYDAIAJMQ-BDAKNGLRSA-N 270.285 -0.186 50 20 CBGD C=CCNC(=S)NNC(=O)c1cc(C(=O)O)nn1C 1602723191 SRHMFKSNLJERPH-UHFFFAOYSA-N 283.313 -0.587 50 20 CBGD Cc1c(NNC(=O)CCNC(=O)CO)cccc1C(=O)O 1607552606 JYUGGPPXPKLOGJ-UHFFFAOYSA-N 295.295 -0.365 50 20 CBGD O=C(Cn1ccc(C(=O)O)n1)NNc1cccnn1 1608378340 ZVWBZWCOSVYNSS-UHFFFAOYSA-N 262.229 -0.485 50 20 CBGD CNC(=O)NCC(=O)NNc1ccc(C(=O)O)cc1F 1610141150 VMLOFYZWKFTPHE-UHFFFAOYSA-N 284.247 -0.104 50 20 CBGD COC(=O)[C@@H](NNC(=O)C(=O)O)c1cccnc1 1610158855 YQDAITASTDHIDD-ZETCQYMHSA-N 253.214 -0.999 50 20 CBGD Cn1ncc(C(=O)O)c1C=NNC(=O)c1ccc(O)nc1 1776094204 HGCKJXSPBZFFAH-UHFFFAOYSA-N 289.251 -0.017 50 20 CBGD Cc1ccc(NCC(=O)NNC(=O)c2nc(=O)[nH][nH]2)cc1 102890701 DTXYLLRGVIBRQA-UHFFFAOYSA-N 290.283 -0.720 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)c(C)c1 126458186 CDBDZZOSRGZTEP-UHFFFAOYSA-N 292.339 -0.049 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)c2cccnc2)C1 173602480 OCMJBIDIBCCYTJ-JTQLQIEISA-N 264.285 -0.827 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1COCCN1C1CCCC1 192994955 WAWYWHZMPXPBGI-LLVKDONJSA-N 284.360 -0.068 50 20 CBGD CCOC(=O)NNC(=O)Cn1ccc(C)cc1=O 194362060 QSWJEFUPRGXCHI-UHFFFAOYSA-N 253.258 -0.066 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)N1CCOCC1 264120221 MFJQETVWRNGHQL-UHFFFAOYSA-N 264.285 -0.303 50 20 CBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cnc[nH]2)C[C@H](C)O1 264852302 NHFSJSPXKIJOOR-UWVGGRQHSA-N 295.343 -0.330 50 20 CBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cocn2)C[C@H](C)O1 264905221 YAUYAXIISZAUQB-UWVGGRQHSA-N 296.327 -0.065 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNc1nc(C)cc(OC)n1 270488512 BGBGBKOHXGQOMK-ZETCQYMHSA-N 283.288 -0.019 50 20 CBGD COC(=O)CCCC(=O)NNC(=O)c1cc(C)n[nH]1 274018771 BJJGZZIFAKPANO-UHFFFAOYSA-N 268.273 -0.178 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc(O)c([N+](=O)[O-])c1 278031916 UVZBLQITTATKPI-UHFFFAOYSA-N 283.240 -0.168 50 20 CBGD CCO[C@H]1C[C@@H]1C(=O)NNC(=O)C(=O)N1CCCC1 299531411 ZNSUPNZTLZJMHS-IUCAKERBSA-N 269.301 -0.819 50 20 CBGD COC(=O)C1(NS(=O)(=O)CBr)CC1 379405434 UATKCWZFUQUMAM-UHFFFAOYSA-N 272.120 -0.036 50 20 CBGD CC[C@H](NC(=O)c1cccc(B(O)O)c1)c1n[nH]c(C)n1 584953216 SGORVYPXXJFGRL-NSHDSACASA-N 288.116 -0.326 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCOCC12CC2 584987120 HRTCUERGDBERJR-UHFFFAOYSA-N 279.076 -0.490 50 20 CBGD CC(C)n1cc(CNC(=O)c2ccc(B(O)O)cc2)nn1 584991290 ADSLGLAEVHCZFQ-UHFFFAOYSA-N 288.116 -0.531 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H]2OC[C@@H]2C1 585005599 JRLOOKRNFSMXSR-JQWIXIFHSA-N 261.086 -0.773 50 20 CBGD O=S1(=O)CCCC[C@@H]1CNCc1cccc(B(O)O)c1 585035496 VCRVUNVFJQDOBI-CYBMUJFWSA-N 297.185 -0.577 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc(Cl)c2nonc12 585059181 CDDUJXIJWKJMLK-UHFFFAOYSA-N 291.481 -0.834 50 20 CBGD CCN1CCCC[C@H]1C(=O)N1CC[C@H](B(O)O)C1 585079390 ZUAGHEFIMONIAW-QWRGUYRKSA-N 254.139 -0.064 50 20 CBGD CCCCCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729276963 PLHBGWJPDADZIT-MRVPVSSYSA-N 279.362 -0.348 50 20 CBGD CS(=O)(=O)CCNC(=S)NNC(=O)C1CCC1 731944427 NHWLYTKCJNVZEF-UHFFFAOYSA-N 279.387 -0.674 50 20 CBGD CCCN(C)CC(=O)NNC(=O)c1cnn(C)c1 735522062 MSAYKKDXSCLYEJ-UHFFFAOYSA-N 253.306 -0.477 50 20 CBGD O=C(CO)NNC(=O)Nc1ccccc1N1CCCC1=O 755550095 NUBPGBIALMWKAY-UHFFFAOYSA-N 292.295 -0.042 50 20 CBGD CC(C)C(=O)NNC(=O)c1coc(S(N)(=O)=O)c1 757626999 FDFQRBMSDTUYOR-UHFFFAOYSA-N 275.286 -0.656 50 20 CBGD CCC(=O)NNS(=O)(=O)c1cn(CC)c(C)n1 768035785 KCISRTBXJJDCAS-UHFFFAOYSA-N 260.319 -0.069 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cnn2ccccc12 768262955 ZQSZOTWKMHRJLM-UHFFFAOYSA-N 262.269 -0.134 50 20 CBGD CCNC(=O)N(C)NC(=O)CCN1C(=O)CCC1=O 770548623 HXZYLPFTUZOLEY-UHFFFAOYSA-N 270.289 -0.782 50 20 CBGD COc1ccc(NNC(=O)[C@H](C)NC(N)=O)nc1 781531104 VXDBELHNXSRWCX-LURJTMIESA-N 253.262 -0.410 50 20 CBGD CCc1csc(NC(=O)C(=O)NNC(=O)CN(C)C)n1 789734413 AZZLCERNRPMAFJ-UHFFFAOYSA-N 299.356 -0.647 50 20 CBGD CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)N1CCOCC1 795819072 GSNZBDJKJMODJV-NSHDSACASA-N 298.343 -0.540 50 20 CBGD CCCONC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 828247505 UNDJKTXYANCSKQ-VIFPVBQESA-N 265.335 -0.291 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)C2(n3cnnn3)CC2)n1 831988960 WKIVFFHFADXMBY-UHFFFAOYSA-N 295.694 -0.669 50 20 CBGD O=C(NCC1CC2(C1)OCCO2)c1cccc(B(O)O)c1 832169496 UDZCGWCXJQIBIO-UHFFFAOYSA-N 291.112 -0.751 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ncccn1 843651951 QGRJRBIXSXGMBY-HTQZYQBOSA-N 250.258 -0.337 50 20 CBGD C[C@@H]1C[C@H](N)CCN1CC(=O)NNC(=O)C1CC1 846707286 FDCZZDRDKUNFMH-PSASIEDQSA-N 254.334 -0.645 50 20 CBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CC(=O)N1 854218050 RZVJFYRSLYBIJX-IONNQARKSA-N 295.270 -0.371 50 20 CBGD COCCN(C)NC(=O)c1nc2ncccn2n1 854409182 BZPFGKXRVFTAOA-UHFFFAOYSA-N 250.262 -0.653 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H](C)c1cnn(C)c1 854924803 SKXJYYQVKJNCPR-ZETCQYMHSA-N 255.347 -0.009 50 20 CBGD CC1CC(CNC(=O)NNC(=O)C(=O)N2CCCC2)C1 856959660 GLFYVEUTTCHTNR-UHFFFAOYSA-N 282.344 -0.015 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CCOC(=O)N1 858126063 RDYWTZDRRMILKZ-LURJTMIESA-N 258.303 -0.834 50 20 CBGD CC[C@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 858695164 DLPAYIBGZMVGHO-IUCAKERBSA-N 284.316 -0.883 50 20 CBGD C=CC(=O)N(C)CC(=O)NNC(=O)NC1CCCC1 858853235 HLBKHOVKWYPXIB-UHFFFAOYSA-N 268.317 -0.096 50 20 CBGD C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)[C@@H]1C 858935571 NMJFOWYIJLTHQC-LMLFDSFASA-N 297.355 -0.184 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)Nc1nc2n(n1)CCCC2 861174340 DFPBAJPSQPKFGX-UHFFFAOYSA-N 290.287 -0.196 50 20 CBGD CC(C)Cn1nccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862458858 FEDCTASOJKDLEG-SECBINFHSA-N 293.327 -0.421 50 20 CBGD CCCn1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 862462394 WRADYYGKTAWDIV-VIFPVBQESA-N 279.300 -0.667 50 20 CBGD CC(C)[C@@H](C(=O)NNC(=O)c1cn[nH]c1)N(C)C 862472075 UJFBJEMALLKPEI-VIFPVBQESA-N 253.306 -0.243 50 20 CBGD Cc1cocc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 863865446 DVBYMDUVCBBLOS-SSDOTTSWSA-N 289.313 -0.713 50 20 CBGD C[C@@H]1CN=C(NC(=O)c2cc(B(O)O)ccc2F)S1 863884529 MVBXBXBQUWCKCE-ZCFIWIBFSA-N 282.105 -0.273 50 20 CBGD COC(=O)[C@H]1C[C@H](NC(=O)c2ccc(B(O)O)cc2)C1 863885717 MDZIAEXLLZFFQT-HOMQSWHASA-N 277.085 -0.952 50 20 CBGD CCO[C@H]1C[C@@H]1C(=O)NNC(=O)COCCOC 869909329 QZJHZDGEZHDXML-IUCAKERBSA-N 260.290 -0.778 50 20 CBGD COCCOCC(=O)NN=Cc1cc(C)nn1C 872400702 ZEQACOOTGWHJCO-UHFFFAOYSA-N 254.290 -0.158 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1COCC[C@H]1OC 898098763 SNRFPCWOUCJSJY-RKDXNWHRSA-N 275.305 -0.843 50 20 CBGD CC1=C(C(=O)NNC(=O)CN2CCCC2=O)CCCO1 913731343 DXTAODMIFVXRGD-UHFFFAOYSA-N 281.312 -0.159 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CCCCO1 913731698 SIPPTQVFCFTFMQ-VIFPVBQESA-N 269.301 -0.675 50 20 CBGD CC[C@@H](O)[C@H](C)C(=O)NNC(=O)CN1CCCC1=O 913733364 GJBXWLUNCYKLLF-DTWKUNHWSA-N 271.317 -0.837 50 20 CBGD O=C(/C=C\CN1CCOCC1)NNC(=O)c1cccnn1 921315298 BLMJFMDMGOOQSL-RQOWECAXSA-N 291.311 -0.874 50 20 CBGD O=C(N[C@H](CO)C[C@@H]1CCCO1)c1cccc(B(O)O)c1 923749766 RPGIXKOEJDKTQA-STQMWFEESA-N 293.128 -0.974 50 20 CBGD COc1cc(NC(=O)C(=O)NNC(=O)CC2CC2)[nH]n1 1118931465 DNHGOHFDVOBMDS-UHFFFAOYSA-N 281.272 -0.696 50 20 CBGD Cc1nccnc1NC(=O)NNC(=O)CN(C)C 1123454848 IRFGULGYNNSRQB-UHFFFAOYSA-N 252.278 -0.501 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CC[C@H]1CCCO1 1261835338 RLPZXDKYIFKWBM-MRVPVSSYSA-N 278.330 -0.862 50 20 CBGD CCn1nc(C(=O)NNC(=O)NC2CC2)ccc1=O 1318479898 UUWYUADPUGMLJS-UHFFFAOYSA-N 265.273 -0.630 50 20 CBGD O=C(NCc1ccco1)NNS(=O)(=O)c1cn[nH]c1 1320102974 NUBFKPPIRIPLJP-UHFFFAOYSA-N 285.285 -0.305 50 20 CBGD Cc1nnc(NNC(=O)[C@@H]2CO[C@H](C)C2)nc1O 1321656338 NOJQBIGURKAZSH-VDTYLAMSSA-N 253.262 -0.246 50 20 CBGD CC(=NNC(=O)Cc1cc[nH]n1)c1cc(CO)on1 1324257729 CBDIPGJITGTQGF-UHFFFAOYSA-N 263.257 -0.027 50 20 CBGD O=C(NNC(=O)C1CC1)c1cccn2c(O)nnc12 1324779016 MEGFIHURLZSBQG-UHFFFAOYSA-N 261.241 -0.394 50 20 CBGD Cc1[nH]c(C=O)cc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1329077778 HUSDCKVHJYLYSO-SECBINFHSA-N 278.268 -0.825 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CC(C)=NO1 1334105612 DPSRKTBHERTZRF-SECBINFHSA-N 284.316 -0.397 50 20 CBGD Cn1cnc(CNC(=O)NNc2nncc(N)c2Cl)n1 1337010348 RTQOCRXYHAQLIB-UHFFFAOYSA-N 297.710 -0.333 50 20 CBGD O=C(c1cn2cccnc2n1)N1CC[C@H](B(O)O)C1 1351729116 MRZJWOKMUANCFK-QMMMGPOBSA-N 260.062 -0.582 50 20 CBGD CCN(CCO)NC(=O)c1cnn2c1NC[C@@H](C)C2 1548723552 VBHFEDJMEQFQAH-SECBINFHSA-N 267.333 -0.096 50 20 CBGD COc1ccnc(NNC(=O)[C@@]2(C)C[C@@H](O)CN2)n1 1574052315 LKSISGLGNVFIKZ-RDDDGLTNSA-N 267.289 -0.959 50 20 CBGD C[C@H](N)[C@H](C)C(=O)NCCSS(C)(=O)=O 1576089342 WLPZGAKFVJTHSM-BQBZGAKWSA-N 254.377 -0.221 50 20 CBGD CCc1cc(C(=O)NNC(=O)C2CCNCC2)no1 1578247142 XIXVWUGEKGEFBM-UHFFFAOYSA-N 266.301 -0.002 50 20 CBGD Cc1nc[nH]c1C(=O)NNC(=O)[C@@H]1CCCNC1 1579513801 XUFFGVHTLCZTPX-MRVPVSSYSA-N 251.290 -0.521 50 20 CBGD Cc1nnc(NNC(=O)NC[C@H]2CCCNC2)n1C 1579912602 GPBKKTPPFMCBCJ-VIFPVBQESA-N 267.337 -0.251 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@@H](N)CCC(=O)O)n1 1600183214 VFKTZBRECAARES-QMMMGPOBSA-N 267.289 -0.271 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CCC[C@H](C(=O)O)C2)N1 1602637722 FADROUVSADEQDO-XHNCKOQMSA-N 297.311 -0.697 50 20 CBGD O=C(NNC(=O)C12CC(C(=O)O)(C1)C2)N1CCOCC1 1610700980 YPRQNSDNZYLJJT-UHFFFAOYSA-N 283.284 -0.686 50 20 CBGD CCCNC(=O)NNC(=O)c1cnc2n(c1=O)CCS2 49279548 VXIMCTKJVUKPNW-UHFFFAOYSA-N 297.340 -0.297 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CN1CSCC1=O 61527898 RYMBNWNXKGKRCD-UHFFFAOYSA-N 282.325 -0.681 50 20 CBGD CS(=O)(=O)N[C@H]1CCCN(S(=O)(=O)CCl)C1 82512523 FEEDXKHPEGVCDH-ZETCQYMHSA-N 290.794 -0.474 50 20 CBGD Cc1c(C(=O)NNC(=O)CO)cnn1Cc1ccccc1 182760592 VRAFJNIQGDUYHE-UHFFFAOYSA-N 288.307 -0.007 50 20 CBGD CCc1cc(C(=O)NNC(=O)Cc2cc[nH]n2)[nH]n1 186114704 HTKKAMGCDHUCCM-UHFFFAOYSA-N 262.273 -0.301 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@@H]2CN(C)CCO2)nc1 270374849 NBUAYBZQVLEVDC-JTQLQIEISA-N 294.311 -0.358 50 20 CBGD N#Cc1cc(C(=O)NNC(=O)N2CCOCC2)c[nH]1 272369152 GKBXZQVPJIEPRQ-UHFFFAOYSA-N 263.257 -0.427 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)NC2CCCC2)C1 276588108 ZQCZJJKHQGETHL-UHFFFAOYSA-N 268.317 -0.262 50 20 CBGD C#CCN(C)CCCNC(=O)NNC(=O)[C@@H]1CCCCO1 297060098 XZIDVKAPGUBYPJ-LBPRGKRZSA-N 296.371 -0.159 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)c1ccncc1 368400300 QMDCBJMIWWEFCG-LLVKDONJSA-N 278.312 -0.437 50 20 CBGD O=C(CC[C@H]1CCC(=O)N1)Nc1cccc(B(O)O)c1 584911131 GIQIZFIIYZOADY-SNVBAGLBSA-N 276.101 -0.636 50 20 CBGD O=C(NCCN1CCSCC1)c1ccc(B(O)O)cc1 584943160 CCOLDNPBUXNLJA-UHFFFAOYSA-N 294.185 -0.855 50 20 CBGD CCC[C@H](CCO)CNC(=O)c1cccc(B(O)O)c1 584960624 STPWPVCHXHJUSD-LLVKDONJSA-N 279.145 -0.105 50 20 CBGD CSC[C@H](CCO)NC(=O)c1cccc(B(O)O)c1 584962411 FKHLVLJVSQRLJD-NSHDSACASA-N 283.158 -0.790 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC12COC2 584996310 DWKJVQUHWXQPEY-UHFFFAOYSA-N 265.049 -0.880 50 20 CBGD C[C@H](COCC1CC1)NC(=O)c1ccc(B(O)O)cc1 585005050 VVFCVTBZMJISRS-SNVBAGLBSA-N 277.129 -0.089 50 20 CBGD CN1CCC[C@@H]1CNCc1ccc(B(O)O)cc1F 585019467 NGMCETGHVYUGID-GFCCVEGCSA-N 266.125 -0.311 50 20 CBGD Cc1cnc(CCNCc2ccc(B(O)O)cc2)nc1 585031360 DMFOHFXJMHABGK-UHFFFAOYSA-N 271.129 -0.203 50 20 CBGD CC(=O)c1cccc(S(=O)(=O)NCB(O)O)c1 585055169 YSLQCWVZDHYFEA-UHFFFAOYSA-N 257.076 -0.821 50 20 CBGD O=C(NC[C@H]1COCCO1)NNC(=O)C1CCC1 732242413 XUEZUCLRIINRMW-VIFPVBQESA-N 257.290 -0.468 50 20 CBGD C[C@@H]1COCCN1CCNC(=O)NNc1cccnn1 737050032 VACGBWIUUDICTH-SNVBAGLBSA-N 280.332 -0.177 50 20 CBGD NS(=O)(=O)c1cc(F)cc(NC(=O)NNC(=O)O)c1 739191013 ULGPQSGYDNNRBZ-UHFFFAOYSA-N 292.248 -0.223 50 20 CBGD O=C(CO)NNC(=O)c1cnn(-c2cccnc2)c1 753443311 ZXJOZEXAVFCYBD-UHFFFAOYSA-N 261.241 -0.979 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=O)c1ccccc1F 754958772 PXSSRBDDLULHHO-GFCCVEGCSA-N 270.260 -0.016 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CCc2n[nH]cc2C1 756947608 LQGKCKCKWVNZEW-ZETCQYMHSA-N 251.290 -0.135 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1C[C@@H]1C1CC1 758034373 FZBMXRJASGWXDK-ZQARSLAVSA-N 289.357 -0.882 50 20 CBGD Cc1ccn(C)c(=O)c1NC(=O)NNC(=O)CN(C)C 763267531 HEJQMZPYKOEKID-UHFFFAOYSA-N 281.316 -0.592 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(OC)nc1OC 763437796 HELFWTKDWOSXAM-UHFFFAOYSA-N 296.283 -0.405 50 20 CBGD CCC(=O)N1CC[C@@H](C(=O)NNC(=O)C(C)(C)O)C1 768259724 OKYCVEWMQDHMOC-MRVPVSSYSA-N 271.317 -0.837 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(CC)C1 771989402 HZKYLVAFZKMOJC-RKDXNWHRSA-N 299.327 -0.656 50 20 CBGD CCOCCONC(=O)NNC(=O)Cn1nc(C)cc1C 776194525 LISOHXROCXYOSM-UHFFFAOYSA-N 299.331 -0.202 50 20 CBGD Cn1nncc1C(=O)NNC(=O)COc1ccccc1O 798960257 UNWIPTMEGFOHHU-UHFFFAOYSA-N 291.267 -0.639 50 20 CBGD C=C[C@@H](O)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C 814543168 DQTZBVOMUKMGDV-DTWKUNHWSA-N 272.301 -0.342 50 20 CBGD COc1cc(C)nc(NNC(=O)C2(C)CNC2)n1 817943655 QNJZQBDCWILELW-UHFFFAOYSA-N 251.290 -0.154 50 20 CBGD CCN1CCO[C@@H](C(=O)NNC(=O)CC2CC2)C1 819110076 RWTBJKWOQPVWGU-SNVBAGLBSA-N 255.318 -0.345 50 20 CBGD CC(C)(C)C(=O)NNC(=O)c1ccn2nnnc2c1 822243978 GWVLUHMDAQZBNX-UHFFFAOYSA-N 262.273 -0.069 50 20 CBGD NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 825639140 KWPYLOPELPBDRM-ZJUUUORDSA-N 253.302 -0.583 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)[C@H]2CCCN2C=O)c1 826089931 RSUIDHDFFOZARD-GFCCVEGCSA-N 286.291 -0.060 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2CC(=O)N2)n1 829482320 KGHLQIUSYUKRIC-ZCFIWIBFSA-N 251.246 -0.875 50 20 CBGD CN1CCC[C@H]1C(=O)NNC(=O)[C@H]1CCCCO1 833250128 CKXVGACMTJLSEB-VHSXEESVSA-N 255.318 -0.203 50 20 CBGD CCN1C[C@H](C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1=O 843648592 YFBJAPPLHKSLBF-IVZWLZJFSA-N 283.328 -0.573 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cncn1C 843660282 WEYURQQNWRTZDL-YUMQZZPRSA-N 252.274 -0.394 50 20 CBGD COCCCOCC(=O)NNC(=O)c1cc[nH]n1 855357280 GTJLZHVIRYWDLJ-UHFFFAOYSA-N 256.262 -0.776 50 20 CBGD CCOC(=O)NCCC(=O)NNC(=O)c1cc[nH]n1 855359619 YNRFHRRZTJZUFD-UHFFFAOYSA-N 269.261 -0.693 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)c1cccc(F)n1 856422323 SMARUTYQEKMYFA-ZETCQYMHSA-N 282.275 -0.104 50 20 CBGD O=C(NNC(=O)[C@@H]1CCNC1=O)c1cc(Cl)ccc1O 856773220 TUZPBDXNALZKBD-SSDOTTSWSA-N 297.698 -0.057 50 20 CBGD C[C@@H](NC(=O)C1CCCC1)C(=O)NNc1cnnn1C 857271711 WIMMJXJQYRVBSI-MRVPVSSYSA-N 280.332 -0.047 50 20 CBGD Cn1nncc1NNC(=O)[C@H]1CC(c2cccnc2)=NO1 857273548 QHPCCKPZYPXGTM-SNVBAGLBSA-N 287.283 -0.154 50 20 CBGD O=C(CCC1CCC1)NNC(=O)[C@H]1CCC(=O)N1 862456027 LTNBVFRBKYKZHK-SECBINFHSA-N 253.302 -0.007 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2[C@H]3CCC[C@H]32)N1 862456162 MXVLIGNJONGRRP-PYHGXSLLSA-N 251.286 -0.542 50 20 CBGD COC(=O)c1cn(CC(=O)NNc2cccc(C)n2)nn1 862521971 DQTPKWNTTRYDTA-UHFFFAOYSA-N 290.283 -0.089 50 20 CBGD C#C[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(C)C 863880706 FGIYFMKHYLIKND-LBPRGKRZSA-N 263.077 -0.107 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 910174110 QIZPDNLXJPVDCS-GHMZBOCLSA-N 295.339 -0.028 50 20 CBGD CC(C)(C)C(=O)NNC(=O)c1c[nH]c(C(N)=O)c1 917180721 QLYPHGXFYSMPBE-UHFFFAOYSA-N 252.274 -0.079 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)CN(C)C(C)=O 920007734 MCTSCYFWLSRCJC-UHFFFAOYSA-N 293.323 -0.137 50 20 CBGD CCCCS(=O)(=O)CC(=O)NNC(=O)C1CC1 929231327 FBPKRJUFSLCJKJ-UHFFFAOYSA-N 262.331 -0.241 50 20 CBGD COCCn1nc(C(=O)NNC(=O)C(C)(C)C)ccc1=O 1115861815 UKSRZUGXAOOOTJ-UHFFFAOYSA-N 296.327 -0.303 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H](C)n1ccnc1 1115900531 KKEFJQZFAMBJHV-SECBINFHSA-N 269.305 -0.189 50 20 CBGD Cn1cc(C2=NO[C@H](C(=O)NNC(=O)CC3CC3)C2)cn1 1262626252 JFQRFTJFZHRVBG-NSHDSACASA-N 291.311 -0.139 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@@H]1COCCO1 1318281035 BWDJPTGTWKLKIJ-JTQLQIEISA-N 265.269 -0.813 50 20 CBGD CCn1nc(C(=O)NNC(=O)NCC2CC2)ccc1=O 1318680882 WDPVRLKEPDHWNS-UHFFFAOYSA-N 279.300 -0.383 50 20 CBGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)NCc1ccco1 1318896821 LINUSIFHMRYEBH-VIFPVBQESA-N 295.299 -0.347 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)Cc2ccncc2)CC1 1318953948 PSGSOMFQNSDYQM-UHFFFAOYSA-N 262.269 -0.963 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 1321566127 HHPGTKRWAOWNFG-QMMMGPOBSA-N 284.385 -0.099 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1sccc1C#N 1326284562 YMTZSOLCAABOAU-UHFFFAOYSA-N 252.255 -0.274 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)C(C)(C)CO)nc21 1329055419 UBFGDTPXOWIENI-UHFFFAOYSA-N 280.288 -0.470 50 20 CBGD COc1ccc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)nc1 1330109913 YBAGZSKNLBSHDI-JTQLQIEISA-N 292.295 -0.941 50 20 CBGD Cn1ncc(Cl)c1C=NNC(=O)CS(C)(=O)=O 1331820163 FSSVCJXUVKRMKR-UHFFFAOYSA-N 278.721 -0.432 50 20 CBGD CCC(=O)NNC(=O)Nc1ccc(-c2nn[nH]n2)cn1 1590366203 ZXNXLZGECFXBPO-UHFFFAOYSA-N 276.260 -0.176 50 20 CBGD CCOC(=O)c1cc(C=NNC(=O)NCC(=O)O)on1 1596703671 AXDPMLOZIWUAOC-UHFFFAOYSA-N 284.228 -0.431 50 20 CBGD COC(=O)N(C)NC(=O)Cn1cccc(C(=O)O)c1=O 1598875874 PNDUJRXOPZXJMY-UHFFFAOYSA-N 283.240 -0.724 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1COc2ccccc2C1 1601552667 DCGKTCHEQUXGLM-MRVPVSSYSA-N 279.252 -0.595 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@@H](CC)C(=O)O 1603835199 SESLMFURJYXKDK-SSDOTTSWSA-N 261.278 -0.536 50 20 CBGD O=C(NNC(=O)c1sccc1-n1cnnn1)NC1CC1 49150485 OUBLRRHRBVTQGS-UHFFFAOYSA-N 293.312 -0.170 50 20 CBGD CC(C)[C@@H]1C(=O)NCCN1CC(=O)NNC(=O)C1CC1 112979873 YKNDPZCAGVSMJE-LLVKDONJSA-N 282.344 -1.000 50 20 CBGD COC(=O)[C@H]1C[C@H]1C(=O)NNC(=O)Cc1ccccn1 264221187 KRERGIDZMZVNJQ-ZJUUUORDSA-N 277.280 -0.419 50 20 CBGD NC(=O)c1ccc(S(=O)(=O)NNC(=O)C2CCC2)cc1 264723042 IAXRWUKQADMKJR-UHFFFAOYSA-N 297.336 -0.105 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@@H](O)c1ccccc1 266890684 WFAHWZBMGGXXKM-NSHDSACASA-N 279.296 -0.207 50 20 CBGD CN(NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)C(N)=O 271289737 LXDXDOHNDXVUHY-QUBYGPBYSA-N 272.330 -0.518 50 20 CBGD Cn1cc(-c2n[nH]cc2C(=O)NNC(=O)C2CC2)cn1 275477076 MLFXDNLKGLCYPC-UHFFFAOYSA-N 274.284 -0.019 50 20 CBGD COCCN(C)NC(=O)Cc1ccc(-n2cnnn2)cc1 288292294 BHAMIKJUMKZZNV-UHFFFAOYSA-N 290.327 -0.186 50 20 CBGD CCOC(=O)NNC(=O)Nc1cccc(C(N)=O)n1 494363059 JZKJSDYUMJSJCH-UHFFFAOYSA-N 267.245 -0.037 50 20 CBGD COC(=O)N(C)NS(=O)(=O)N1CCC[C@H]1C 496794789 PNAPUDLEYSIRTJ-SSDOTTSWSA-N 251.308 -0.082 50 20 CBGD CN1CC[C@@H](C(=O)Nc2cccc(B(O)O)c2)CC1=O 584911129 XYPAEWFAELXPJK-SECBINFHSA-N 276.101 -0.827 50 20 CBGD CN1CCC(NC(=O)c2ccc(B(O)O)cc2)CC1 584925852 QKOCJDNVRYHCHX-UHFFFAOYSA-N 262.118 -0.810 50 20 CBGD CC(C)[C@@](C)(O)CNC(=O)c1ccc(B(O)O)cc1 584953722 FQTPXKAITPVNOT-ZDUSSCGKSA-N 265.118 -0.497 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 584956216 YQYPAOCHAHHDMO-XJFOESAGSA-N 287.124 -0.384 50 20 CBGD CO[C@H](C)[C@H](C)NC(=O)c1ccc(B(O)O)cc1 584978857 FAKYHGCCKYUQMD-DTWKUNHWSA-N 251.091 -0.480 50 20 CBGD COC[C@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@@H](C)O1 584979242 OIAIFAAIBITXOL-ZWNOBZJWSA-N 293.128 -0.758 50 20 CBGD OB(O)c1ccc(CNC[C@@H]2CCC[C@H](O)C2)o1 585025653 ZKOCGNSPEKOBKA-ZJUUUORDSA-N 253.107 -0.400 50 20 CBGD OB(O)c1ccccc1CN[C@H]1CCn2ccnc2C1 585037369 ZWJRHENMBQOMDM-LBPRGKRZSA-N 271.129 -0.333 50 20 CBGD Cc1nc([C@H](C)NCc2cccc(B(O)O)c2)no1 585041159 VNVOBVXBYMRLAY-QMMMGPOBSA-N 261.090 -0.091 50 20 CBGD CC(=O)NC(C)(C)C(=O)NNC(=O)c1c[nH]nc1C 732084110 MBDSYDKXBRXPRZ-UHFFFAOYSA-N 267.289 -0.606 50 20 CBGD C[C@@H]1CC[C@@H](CCC(=O)NNC(=O)C(=O)NC2CC2)O1 743289981 HOAWHUSABRVCKY-SCZZXKLOSA-N 283.328 -0.240 50 20 CBGD O=C(NCCC1CC1)NNC(=O)C(=O)NC1CC1 745899281 LRGSFQKWDGSCQX-UHFFFAOYSA-N 254.290 -0.605 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CCSC1 748637170 XHXWCMYWKMHAGA-RKDXNWHRSA-N 291.373 -0.126 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNc1ncc(F)cn1 752684031 CZUDROXYPFJXLZ-ZETCQYMHSA-N 253.237 -0.320 50 20 CBGD O=C(NCC1(C2CC2)CC1)NNC(=O)C(=O)NC1CC1 752699660 XUGYODVTKLYLKI-UHFFFAOYSA-N 280.328 -0.214 50 20 CBGD N#CCOc1cccc(NC(=O)NNC(=O)CO)c1 755931196 BBKUTARIWNPGKU-UHFFFAOYSA-N 264.241 -0.266 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1ncccn1 758277266 SYTNMPTXGBHKHI-UHFFFAOYSA-N 253.262 -0.976 50 20 CBGD CN1CC[C@@H](C(=O)NNc2ncnc3[nH]cnc23)C1=O 776158681 XUVWOAXITYGWBP-LURJTMIESA-N 275.272 -0.726 50 20 CBGD CN(NC(=O)Cn1nc(-c2ccccc2)oc1=O)C(N)=O 778412528 QGEGKKQLNVZPKM-UHFFFAOYSA-N 291.267 -0.455 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](C)[S@@](=O)[C@H](C)C1 792391815 HWPKOQNRZDMABS-HCKOUTBRSA-N 289.401 -0.226 50 20 CBGD C=CCN(CCC#N)CC(=O)NNC(=O)C1CC1 794746780 YWLYLDQZOKVEAU-UHFFFAOYSA-N 250.302 -0.055 50 20 CBGD C#CCOCCC(=O)NNC(=O)NCC(F)(F)F 798316473 ZHHCYHHKXLTSSB-UHFFFAOYSA-N 267.207 -0.081 50 20 CBGD COCCOCC(=O)NNC(=O)NCC(F)(F)F 798316738 RZQWLOXHEFKHBU-UHFFFAOYSA-N 273.211 -0.458 50 20 CBGD CC(C)(O)C(=O)NNC(=O)C(C)(C)S(=O)(=O)C1CC1 803159763 QTUQKZGPFWQKHL-UHFFFAOYSA-N 292.357 -0.740 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@](C)(O)C1CCC1 813423832 AEUFOJBPNNMVEO-LBPRGKRZSA-N 273.333 -0.096 50 20 CBGD CC(C)CC(=O)NNC(=O)CCn1ncn(C)c1=O 814892457 UPPTZHZJDAWOIH-UHFFFAOYSA-N 269.305 -0.835 50 20 CBGD C[C@@]1(C(=O)NNC(=O)[C@@H]2CCCCO2)CCNC1=O 823236884 HVGNMHBDHPZCRX-QPUJVOFHSA-N 269.301 -0.771 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CCNC(=O)c1ccco1 823988364 RADAKBIALMRWRY-VIFPVBQESA-N 269.301 -0.257 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@@H]1C(=O)O 828441929 VMNVJKVIAOMZMX-IUCAKERBSA-N 285.344 -0.168 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCn1ccnn1 843645460 RFDBYOPJKQNGGF-RKDXNWHRSA-N 267.289 -0.759 50 20 CBGD CNC(=O)NNC(=O)C1(n2cnnn2)CCCCC1 845275821 NMZGLPLXRVVWKY-UHFFFAOYSA-N 267.293 -0.707 50 20 CBGD COCCN(C)NC(=O)c1cnn2c1OCCC2 848377832 CZDCDCYYIAIANH-UHFFFAOYSA-N 254.290 -0.111 50 20 CBGD C#C[C@@H](CC)NC(=O)NNC(=O)[C@H](C)OCCOC 854073608 YLDBNSNFGWWEGU-UWVGGRQHSA-N 271.317 -0.220 50 20 CBGD CC(=O)NNC(=O)[C@]1(c2ccccc2)CNC(=O)C1 854154723 GNVWEQZUXKNIHP-ZDUSSCGKSA-N 261.281 -0.388 50 20 CBGD O=C(Cc1ccc(F)cc1)NNC(=O)[C@@H]1CCNC1=O 854238429 YTIKCEQUUHXFTP-SNVBAGLBSA-N 279.271 -0.348 50 20 CBGD CNC(=S)N(C)NC(=O)c1cc2n(n1)CCC2 854920999 HOEDHEHPUWLXFA-UHFFFAOYSA-N 253.331 -0.090 50 20 CBGD CC[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)N(CC)CC 862454334 FNZBSSNBHPJIPN-ZJUUUORDSA-N 284.360 -0.467 50 20 CBGD Cc1ccccc1S(=O)(=O)NNC(=O)[C@H]1CCC(=O)N1 863414338 ZODBDBIRDXRYPR-SECBINFHSA-N 297.336 -0.417 50 20 CBGD CCOC(C)(C)C(=O)NNC(=O)C(=O)N1CCCC1 865069897 CJRCTSNWHTZNJP-UHFFFAOYSA-N 271.317 -0.429 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@H](C(C)C)N(C)C)n[nH]1 869012441 RGCNZAIJTRBWNW-LBPRGKRZSA-N 281.360 -0.006 50 20 CBGD COCCOCC(=O)NNC(=O)CN1[C@@H](C)CC[C@@H]1C 869909785 JEZRLLFUMYZRRA-QWRGUYRKSA-N 287.360 -0.330 50 20 CBGD COCCOCC(=O)NNC(=O)c1cc(C(C)=O)cn1C 869913045 SWWAQUJVWUBRGA-UHFFFAOYSA-N 297.311 -0.348 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1(C)C 883737722 IIYJAMRBMZGPJK-SECBINFHSA-N 297.359 -0.968 50 20 CBGD C[C@@H](CCNCc1cccc(B(O)O)c1)N(C)C 895290587 NAHJAHDUHAYZNE-NSHDSACASA-N 250.151 -0.204 50 20 CBGD CC(C)N1CCN(CCC(=O)NNC(=O)NC2CC2)CC1 900382403 CRJRAUVVVDIRRS-UHFFFAOYSA-N 297.403 -0.105 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=O)NCC(F)(F)F 918707022 CTTWWTZNGUBNDL-SCSAIBSYSA-N 270.211 -0.596 50 20 CBGD COc1cccc(C(=O)NNC(=O)[C@@H]2COCCO2)c1O 919756145 WRKAEWKMUYOQAC-JTQLQIEISA-N 296.279 -0.423 50 20 CBGD COc1cccc(C(=O)NNC(=O)[C@H]2COCCO2)c1O 919756146 WRKAEWKMUYOQAC-SNVBAGLBSA-N 296.279 -0.423 50 20 CBGD C=CCNC(=O)CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1118187452 OTTXJTXIEZRQCM-DTWKUNHWSA-N 284.316 -0.956 50 20 CBGD O=C(NNc1ncnc2[nH]cnc12)c1ccncn1 1255310173 JQPUTIFTLPVOGV-UHFFFAOYSA-N 256.229 -0.100 50 20 CBGD O=C(NCc1ccco1)NNC(=O)C1(O)CCOCC1 1320500035 MGELOQXNOGLCIQ-UHFFFAOYSA-N 283.284 -0.349 50 20 CBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccnn1C 1320519994 FHHADQHXHQRCIS-SSDOTTSWSA-N 267.289 -0.448 50 20 CBGD CC1(CC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CC1 1324592256 MRWNUHAGIDHBNF-QMMMGPOBSA-N 274.342 -0.241 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cnn2c1NC[C@@H](C)C2 1347173186 MKUDRISXPVTSJG-RKDXNWHRSA-N 267.333 -0.098 50 20 CBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNc1ccncn1 1348696081 NWPKBDDDIHJRNE-ZJUUUORDSA-N 262.317 -0.692 50 20 CBGD Cc1noc(C)c1[C@@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1351627910 LLWDRPLQOKBZGY-HZGVNTEJSA-N 294.311 -0.179 50 20 CBGD COc1cccc(CC(=O)NNC(=O)C2CCNCC2)n1 1579268962 KELLNRWRCHCURU-UHFFFAOYSA-N 292.339 -0.220 50 20 CBGD CCOC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)o1 1590766964 CZOWDRLYVPLPII-UHFFFAOYSA-N 266.217 -0.149 50 20 CBGD O=C(O)CSCC(=O)NNc1nc2ccccn2n1 1595126941 WFPXYGFZZAGVFX-UHFFFAOYSA-N 281.297 -0.010 50 20 CBGD C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@]1(C)C(=O)O 1599925034 BATWXRMZQCQSKT-XPTSAGLGSA-N 291.112 -0.451 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccoc2CC(=O)O)nn1 1600932117 KFXTUIGXQFGMPL-UHFFFAOYSA-N 293.239 -0.890 50 20 CBGD CCc1nc(CCNC(=O)NNC(=O)C(=O)O)cs1 1605851727 NCLVANPQIBIOHF-UHFFFAOYSA-N 286.313 -0.337 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1CC[C@H](C(=O)O)CC1 1606017394 GALRVCAFXLRGLQ-KYZUINATSA-N 271.317 -0.414 50 20 CBGD CN(C)c1cccc(C(=O)NNC(=O)[C@H]2COCCO2)c1 32709954 CNYPOKICAPYHFM-GFCCVEGCSA-N 293.323 -0.071 50 20 CBGD CN(C)C(=O)CNC(=O)NNC(=O)OC(C)(C)C 43714986 RLAWZFAZURZXIV-UHFFFAOYSA-N 260.294 -0.187 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 48949727 SEOIOKDSJUDMJD-LDWIPMOCSA-N 272.330 -0.599 50 20 CBGD CCNC(=O)NNC(=O)CCNC(=O)c1ccco1 65191131 BHSPGEAQNCSAQB-UHFFFAOYSA-N 268.273 -0.250 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@H]1CCN(C2CC2)C1 108928627 XGWAOMHOBBYNHX-SNVBAGLBSA-N 284.360 -0.162 50 20 CBGD CNC(=O)COc1ccc(C(=O)NNC(C)=O)cc1OC 139012085 PPEAADYMGVMQRL-UHFFFAOYSA-N 295.295 -0.399 50 20 CBGD C[C@]1(O)CCN(CC(=O)NNC(=O)c2ccccc2)C1 178025340 IMCKEIXRDSWYKM-AWEZNQCLSA-N 277.324 -0.096 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1ccncc1 180523973 FUZWICAPGDFBOQ-UHFFFAOYSA-N 252.274 -0.371 50 20 CBGD CN(NC(=O)CCCNC(=O)C(C)(C)C)C(N)=O 181064204 LFIJFJBOWLXBIF-UHFFFAOYSA-N 258.322 -0.029 50 20 CBGD CC(C)n1cc(C(=O)NNC(=O)CN(C)C)cn1 190507634 BIVBLGICXPREIS-UHFFFAOYSA-N 253.306 -0.213 50 20 CBGD Cc1n[nH]c(C)c1CC(=O)NNC(=O)N1CCN(C)CC1 287663482 BEGUSXPVHDWIOF-UHFFFAOYSA-N 294.359 -0.443 50 20 CBGD CC(C)(NC(=O)C(F)(F)F)C(=O)NNc1nnc[nH]1 293912972 LYQUWTVJFAKLAZ-UHFFFAOYSA-N 280.210 -0.295 50 20 CBGD O=S(=O)(CCCCl)N1CC[C@H](O)[C@H](CO)C1 396885426 GUSFQKDVQGKWNS-IUCAKERBSA-N 271.766 -0.380 50 20 CBGD CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNC(=O)CN(C)C 497151184 POSFSXCMFANBKJ-WPRPVWTQSA-N 288.348 -0.534 50 20 CBGD O=C(NC[C@@H]1CCOC1)c1ccc(B(O)O)c(F)c1 584934386 ROLKWVRMOAEION-QMMMGPOBSA-N 267.065 -0.728 50 20 CBGD CCC(CC)(CO)CNC(=O)c1cccc(B(O)O)c1 584964437 DJLXBONEWLRPQP-UHFFFAOYSA-N 279.145 -0.105 50 20 CBGD O=C(c1cccc(B(O)O)c1)N(CCO)CC1CC1 584988936 VXQFPOYWHUDXRA-UHFFFAOYSA-N 263.102 -0.789 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCCO[C@@H](CF)C1 585001828 FKRRGOORANJCOY-JTQLQIEISA-N 299.082 -0.294 50 20 CBGD C[C@@H](CCn1cncn1)NCc1cccc(B(O)O)c1 585018525 XKSRKZLQQHHCGM-NSHDSACASA-N 274.133 -0.474 50 20 CBGD OB(O)c1ccc(CNC[C@]2(O)CCc3ccccc32)o1 585029071 CJAQYFKVTXQYSV-OAHLLOKOSA-N 287.124 -0.117 50 20 CBGD C[C@@H]1[C@H](NCc2cccc(B(O)O)c2)CCCN1C 585035540 WBBMCOQGVFMEGP-BXUZGUMPSA-N 262.162 -0.061 50 20 CBGD C[C@H]1OCC[C@@]1(O)CNCc1ccc(B(O)O)cc1F 585038465 GDEDRNNGCNDKIN-NOZJJQNGSA-N 283.108 -0.865 50 20 CBGD CC(C)NC(=O)[C@H](C)NCc1cccc(B(O)O)c1 585046436 RGQBSFDUJOFDIU-JTQLQIEISA-N 264.134 -0.631 50 20 CBGD Cc1cc(C)c(S(=O)(=O)NCB(O)O)c(C)c1 585054672 PKOVVYWKCQNGNB-UHFFFAOYSA-N 257.120 -0.098 50 20 CBGD CN1CCN(S(=O)(=O)CBr)[C@@H](CO)C1 699501133 SBBLQDGRYZFPMQ-SSDOTTSWSA-N 287.179 -0.723 50 20 CBGD C=CCOCC(=O)NNC(=O)CNC(=O)c1ccco1 729359977 WGZKMDABLRBIMI-UHFFFAOYSA-N 281.268 -0.641 50 20 CBGD CCn1cc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)cn1 732532597 NDXCVYIYTAACFX-QMMMGPOBSA-N 287.345 -0.709 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)COC[C@@H]1CCCO1 733262600 MDMRJVACMFPOIX-VIFPVBQESA-N 282.300 -0.325 50 20 CBGD C=CCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 735431637 HDAYHEAYWHOOFS-UHFFFAOYSA-N 287.283 -0.003 50 20 CBGD CC(C)N(CCC(=O)O)CC(=O)NNC(=O)C1CC1 736465813 KFNVGRRXWRTMNL-UHFFFAOYSA-N 271.317 -0.271 50 20 CBGD COCCN(CCO)[C@H](C)C(=O)NNC(=O)CC(C)C 738323233 CGRGOZRWZGJXOK-LLVKDONJSA-N 289.376 -0.491 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NNC(=O)c1ncccn1 746100227 HETFHEGZJBMKIT-SNVBAGLBSA-N 293.327 -0.794 50 20 CBGD Cn1cc(/C=C\C(=O)NNC(=O)C(=O)N2CCCC2)cn1 748247682 UPTNIIQTIGAOOI-PLNGDYQASA-N 291.311 -0.797 50 20 CBGD COCCCNC(=O)NNC(=O)Cc1cc(C)[nH]n1 755236838 BIRYDQLYLINLBC-UHFFFAOYSA-N 269.305 -0.372 50 20 CBGD Cc1cnn(CCC(=O)NNc2ccc(C(N)=O)nn2)c1 757402273 LZUMTNPGQRMHPX-UHFFFAOYSA-N 289.299 -0.386 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1 764420428 APBAQFZRFGLCTF-UHFFFAOYSA-N 251.242 -0.927 50 20 CBGD COCC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772193595 WQZUUYWKEBINNK-UHFFFAOYSA-N 299.714 -0.250 50 20 CBGD COc1cc(CCC(=O)NNC(=O)CO)cc(OC)c1 777781591 BVFUANRYNPSDCI-UHFFFAOYSA-N 282.296 -0.224 50 20 CBGD COc1cccc(NNC(=O)[C@H]2CCS(=O)(=O)C2)n1 780770495 HHGASRFSCBQULB-QMMMGPOBSA-N 285.325 -0.032 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)Cc1ccccc1OC 789901830 ZOTDIPBMBBPFGF-UHFFFAOYSA-N 293.323 -0.089 50 20 CBGD Cc1ccn(C[C@](C)(O)C(=O)NNC(=O)C(C)C)c(=O)c1 790483421 PAAXWHIZOCYBEQ-AWEZNQCLSA-N 295.339 -0.289 50 20 CBGD COC[C@@H](C)CC(=O)NNC(=O)N1CCN(C)CC1 807380028 ADZMYTPLLKJDKT-JTQLQIEISA-N 272.349 -0.353 50 20 CBGD C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)N2CCN(C)CC2)O1 807383107 KMVPHXSBWCRQIZ-GMTAPVOTSA-N 284.360 -0.212 50 20 CBGD CN(C)S(=O)(=O)CCNC(=O)NNC(=O)C1CCC1 811976479 CMHVSMISJZVGIX-UHFFFAOYSA-N 292.361 -0.992 50 20 CBGD COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)N1CCOCC1 812536358 ZGFAKWCGPKEOOM-NXEZZACHSA-N 273.333 -0.022 50 20 CBGD CC(=O)NN=C(C)c1ccc(S(=O)(=O)CC(N)=O)cc1 814692874 JGNRAOFQEDXCQN-UHFFFAOYSA-N 297.336 -0.194 50 20 CBGD CC(=NNC(=O)C(N)=O)c1cn(-c2ccccc2)nn1 814695484 DSZXSAWHWNHONC-UHFFFAOYSA-N 272.268 -0.407 50 20 CBGD COC(OC)C(=O)NNC(=O)c1cccc(C)n1 822589794 ILSGAVSMSHEWTJ-UHFFFAOYSA-N 253.258 -0.230 50 20 CBGD CCN(CCO)NC(=O)COCc1ccnn1C 823884843 LZJRNEISEXVPOR-UHFFFAOYSA-N 256.306 -0.718 50 20 CBGD O=C(O)NNC(=O)Nc1ccn(CCN2CCOCC2)n1 833280102 AMRJBKYQBKBJTR-UHFFFAOYSA-N 298.303 -0.481 50 20 CBGD N#Cc1cccc(NNC(=O)C2(S(N)(=O)=O)CC2)c1 845854884 CCJLFGAKENIPDY-UHFFFAOYSA-N 280.309 -0.178 50 20 CBGD O=C(NCC(Cl)Cl)[C@@H]1CCS(=O)(=O)N1 846147387 UNVYAOWWIAIFPX-BYPYZUCNSA-N 261.130 -0.402 50 20 CBGD NS(=O)(=O)c1ccsc1C(=O)NNC(=O)C1CC1 854179998 GCEPZBYRVWGJIO-UHFFFAOYSA-N 289.338 -0.434 50 20 CBGD CNC(=O)c1ccc(C(=O)NN(C)C(=S)NC)cn1 854924078 OZBHWOCQJQCLOS-UHFFFAOYSA-N 281.341 -0.478 50 20 CBGD O=CN1CCC[C@@H]1C(=O)NNC(=S)NCC1CCC1 855092829 BZHIBIJGRZMTDM-SNVBAGLBSA-N 284.385 -0.097 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)[C@H]2CCOC(=O)N2)n1 860727735 GWYLOPZIIUDLHS-SCSAIBSYSA-N 286.679 -0.346 50 20 CBGD O=C(CC1CCOCC1)NNC(=O)c1cn[nH]c1 862472049 TXSMWSBSJOSMDG-UHFFFAOYSA-N 252.274 -0.013 50 20 CBGD CN1CCC(C(=O)NNC(=O)c2cn[nH]c2)CC1 862472235 VXIKNKVLVWOXDE-UHFFFAOYSA-N 251.290 -0.488 50 20 CBGD CC(Cl)(Cl)C(=O)NNC(=O)CS(C)(=O)=O 863464133 IASAOPSODILKCQ-UHFFFAOYSA-N 277.129 -0.628 50 20 CBGD C#Cc1ccc(C(=O)NNC(=O)COCCOC)nc1 869909437 WPJDTPGZEBNEBD-UHFFFAOYSA-N 277.280 -0.513 50 20 CBGD CCOC(=O)[C@@H](C)NCc1ccccc1B(O)O 877471609 VBEDIWSLVJNNFZ-SECBINFHSA-N 251.091 -0.592 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CO)cc1N1CCOCC1 879395184 AWWOFXQXFNZXJB-UHFFFAOYSA-N 293.323 -0.415 50 20 CBGD C=C/C=C/CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 883737632 FZTCWPRPIICDJO-CDAZIORVSA-N 266.301 -0.272 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)C1=NN2CCCN=C2N1 899997100 HLRWPRLEOXDHMC-UHFFFAOYSA-N 297.388 -0.741 50 20 CBGD COCCCNC(=O)NNC(=O)c1cc(C)[nH]n1 920862648 LGMOPIAPXLJMEE-UHFFFAOYSA-N 255.278 -0.301 50 20 CBGD CNCCNC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br 1118766503 JQANPNJCLLQADH-OIBJUYFYSA-N 292.177 -0.388 50 20 CBGD O=C(CN1CCC(=O)NC1=O)NNc1ncc(Cl)cn1 1261775839 VJTYXVBHCZNUTM-UHFFFAOYSA-N 298.690 -0.485 50 20 CBGD Cn1nnc2c1C[C@@H](C(=O)NNc1ncncc1F)CC2 1325041339 FWBHWHLSFFWTMM-ZETCQYMHSA-N 291.290 -0.008 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCC2CCCC2)N1 1328765933 ZZAHABOFAIZQDH-VIFPVBQESA-N 268.317 -0.214 50 20 CBGD C[C@@H](CN)NC(=O)C(=O)NC[C@]1(C)C[C@H]1Br 1329570280 GAKCSTACIGQABP-PJKMHFRUSA-N 292.177 -0.261 50 20 CBGD COCCOCC(=O)NNC(=O)Cc1cscn1 1332147895 NAKFIWRGEMYJQZ-UHFFFAOYSA-N 273.314 -0.504 50 20 CBGD O=C(CO[C@H]1CCOC1)NNC(=O)NCc1ccco1 1339908874 UOMIOKZXLFYAEI-JTQLQIEISA-N 283.284 -0.085 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H](c1nncn1C)C(C)C 1346620049 ABPDPOLUCLYCNJ-SNVBAGLBSA-N 298.347 -0.121 50 20 CBGD C[C@](O)(CNC(=O)NNC(=O)c1cn[nH]c1)c1ccco1 1351351272 CIRYUSCEJDAXGE-LBPRGKRZSA-N 293.283 -0.146 50 20 CBGD Cn1ccnc1C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1 1549318333 PCDYVJZTEMUBOL-GHMZBOCLSA-N 277.328 -0.267 50 20 CBGD O=C(NN=Cc1cocn1)[C@@H]1CN2CCC[C@H]2CO1 1549318931 DYQBSBXNWRGUJR-QWRGUYRKSA-N 264.285 -0.012 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)n1C 1578960460 NQYDJLYEHNIWCN-UHFFFAOYSA-N 278.276 -0.879 50 20 CBGD COC[C@H](N)C(=O)NNC(=O)c1ccccc1F 1579087052 WBHAJANVDUBLIC-VIFPVBQESA-N 255.249 -0.440 50 20 CBGD NCCC(=O)NNC(=O)C[C@H]1NC(=O)c2ccccc21 1580281906 XBKKSAALLZSUCB-SNVBAGLBSA-N 276.296 -0.643 50 20 CBGD NCc1cc(C(=O)NNC(=O)c2cccnn2)ccn1 1580335214 HMWFWJPGMICXKG-UHFFFAOYSA-N 272.268 -0.595 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@H](O)C1CC1 1593165089 UFDWCEDOXGOTGV-SECBINFHSA-N 275.272 -0.524 50 20 CBGD O=C(O)c1ccccc1C(=O)NNC(=O)[C@H]1COCCO1 1602464454 MEBZAKFOWMELPF-SNVBAGLBSA-N 294.263 -0.439 50 20 CBGD O=C(O)C[C@@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 1608696450 ZYIISVWFURKPTQ-NSHDSACASA-N 277.085 -0.554 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H](O)c1ccccc1 192930183 BGDFWAFVOBDJDW-VIFPVBQESA-N 252.270 -0.362 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1CCc2cn[nH]c2C1 266251652 AYNMLKYGSOUYIL-SECBINFHSA-N 293.327 -0.412 50 20 CBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=S)NCCSC 271239217 HDCHTLYLMYOGJW-NKWVEPMBSA-N 291.398 -0.346 50 20 CBGD Cc1cc(C)nc(NNC(=O)CSc2n[nH]c(=O)[nH]2)n1 274922260 YACBCQFDKCPAQW-UHFFFAOYSA-N 295.328 -0.260 50 20 CBGD Cc1nnc2ccc(C(=O)NNC(=O)[C@@H]3CCCO3)cn12 294626490 LCNRZVNMFYUGCQ-JTQLQIEISA-N 289.295 -0.022 50 20 CBGD C[C@@](O)(C(=O)Nc1cccc(B(O)O)c1)C1CCC1 584910409 BCJYXLJJVZMAKQ-ZDUSSCGKSA-N 263.102 -0.144 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1C[C@@H]1c1nc[nH]n1 584912578 HNJPDDBSENBAQP-UWVGGRQHSA-N 272.073 -0.773 50 20 CBGD CCC[C@@H](O)CNC(=O)c1cc(B(O)O)ccc1F 584959845 LXZRRJVCCVGVBM-SECBINFHSA-N 269.081 -0.604 50 20 CBGD CO[C@H](C)[C@H](C)NC(=O)c1cccc(B(O)O)c1 584979454 UKVWQTWKFHQVOW-DTWKUNHWSA-N 251.091 -0.480 50 20 CBGD CN(CC(C)(C)CO)C(=O)c1cccc(B(O)O)c1 584995976 TWUCVYMZZQAXFG-UHFFFAOYSA-N 265.118 -0.543 50 20 CBGD Cc1ncc2c(n1)CC[C@@H](NCc1ccc(B(O)O)o1)C2 585017735 JPYYGGZAOWOJMH-LLVKDONJSA-N 287.128 -0.295 50 20 CBGD OB(O)c1cccc(CN[C@H]2CCc3c[nH]nc3C2)c1 585029501 AFIHNVRKAPXEGX-ZDUSSCGKSA-N 271.129 -0.263 50 20 CBGD OB(O)c1cccc(CN[C@@H]2CCO[C@]3(CCOC3)C2)c1 585035436 UJPBNWOFUOBJFM-HUUCEWRRSA-N 291.156 -0.206 50 20 CBGD C[C@@]1(CNCc2ccc(B(O)O)cc2)CCC(=O)NC1 585048606 TZGKHDQLJPGZAC-AWEZNQCLSA-N 276.145 -0.628 50 20 CBGD CCC(=O)N[C@H](C(=O)NCB(O)O)c1ccccc1 585059614 UXCWKONCLAKGBC-NSHDSACASA-N 264.090 -0.618 50 20 CBGD O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCB(O)O 585061647 BYFGMGMUVPJONL-UHFFFAOYSA-N 271.997 -0.759 50 20 CBGD CCCNC(=O)NNC(=O)CCSCC(=O)O 737028529 IJYDZIOAEZZZSQ-UHFFFAOYSA-N 263.319 -0.065 50 20 CBGD O=C(NNC(=O)c1cnc[nH]1)c1ccc(-c2nn[nH]n2)cc1 738134441 MSWMOERWEGFSBI-UHFFFAOYSA-N 298.266 -0.335 50 20 CBGD CN1CC[C@H](NC(=O)NNC(=O)CC(F)(F)F)C1=O 739059593 QBGGVTJEZKYWKV-YFKPBYRVSA-N 282.222 -0.500 50 20 CBGD C#CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 753889217 MLORIVIEHQXAMW-UHFFFAOYSA-N 295.320 -0.669 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1C[C@H]1C1CC1 758034371 FZBMXRJASGWXDK-XVYDVKMFSA-N 289.357 -0.882 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1C[C@]12CCOC2 764090562 BINUCHOUOFWDBD-SKDRFNHKSA-N 264.285 -0.094 50 20 CBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccsc1 764212748 QHOICMFNHKEPJM-UHFFFAOYSA-N 270.314 -0.604 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCOC2(CCOCC2)C1 767911497 GHCMZCJGBVLYDL-NSHDSACASA-N 299.371 -0.186 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 770124243 PRTGAPFHHQPAKU-UWVGGRQHSA-N 272.349 -0.308 50 20 CBGD CC(C)C(=O)NNC(=O)c1cnc2c(c1)NC(=O)CO2 770578429 JZSFGYWULCGPEW-UHFFFAOYSA-N 278.268 -0.171 50 20 CBGD O=C(NNC(=O)[C@H]1COCCN1CC(F)F)C1CC1 771604991 ZMNDYOVWSXOLEV-MRVPVSSYSA-N 277.271 -0.490 50 20 CBGD COC(=O)[C@@H](C)n1cccc1C=NNC(=O)CO 776780128 WFMVBGNTYXJWPZ-MRVPVSSYSA-N 253.258 -0.336 50 20 CBGD O=C1CNC(=O)N1CCCNS(=O)(=O)CCl 777675171 KAGODEMXAMVNPF-UHFFFAOYSA-N 269.710 -0.956 50 20 CBGD Cn1ccc(CC(=O)NNC(=O)N2CCOCC2)n1 782611650 DMHHNBSTSFPYGP-UHFFFAOYSA-N 267.289 -0.964 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)Cc1ccn(C)n1 788159015 SNQBDTMCLMBEMM-UHFFFAOYSA-N 298.343 -0.101 50 20 CBGD COCC(=O)NNC(=O)Nc1ccc(C(=O)OC)nn1 799232699 NGYOOZQNSRECOK-UHFFFAOYSA-N 283.244 -0.938 50 20 CBGD C[C@@H](C(=O)NNc1cnnn1C)n1nnnc1C(C)(C)C 816770073 IXKCCXIOZBDXRM-ZETCQYMHSA-N 293.335 -0.197 50 20 CBGD CC1CCN(C(=O)C(=O)NNc2cnnn2C)CC1 816770463 YURWBDXHJDIYLD-UHFFFAOYSA-N 266.305 -0.483 50 20 CBGD O=C1C[C@@H](C(=O)NNc2ccc(F)cc2)NC(=O)N1 816843805 CMCBOIBMCBXSRS-QMMMGPOBSA-N 266.232 -0.133 50 20 CBGD Cn1cnn(CCC(=O)NNc2ncncc2F)c1=O 817080604 VPTJVJRFEXSCQU-UHFFFAOYSA-N 281.251 -0.956 50 20 CBGD O=C(O)CCNC(=O)NNC(=O)COc1ccccc1O 819492630 UOOYVSONZOVTOJ-UHFFFAOYSA-N 297.267 -0.424 50 20 CBGD C#C[C@@H](C)NC(=O)NNC(=O)[C@@H](C)OCCOC 820426911 AWXHKVFMUZPSGZ-RKDXNWHRSA-N 257.290 -0.610 50 20 CBGD CCOC(=O)N1CSC[C@H]1C(=O)NN(C)C[C@H](C)O 822562975 FJIRENMWMVADSZ-IUCAKERBSA-N 291.373 -0.138 50 20 CBGD O=C(CN1CCCC1)NNC(=O)N=c1cc[nH]cc1 822760544 NTHCSBJCUVDEFO-UHFFFAOYSA-N 263.301 -0.248 50 20 CBGD COCCOCC(=O)NNC(=O)c1c(F)cncc1F 825137556 VAJIPJWSWBMEBU-UHFFFAOYSA-N 289.238 -0.216 50 20 CBGD Cc1nccn1CCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 826063129 XVPZSICSYUKFKH-ONGXEEELSA-N 295.343 -0.053 50 20 CBGD COCCOCC(=O)NNC(=O)COC(F)(F)F 827870285 YGFFRSAMBNJQCB-UHFFFAOYSA-N 274.195 -0.667 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@H]1C(=O)O 828441914 VKPURPBKPBAOSM-VXNVDRBHSA-N 269.301 -0.804 50 20 CBGD CCCCCN(CC(N)=O)CC(=O)NNC(=O)C(C)C 828750013 LZQJHSKHVGKNJF-UHFFFAOYSA-N 286.376 -0.233 50 20 CBGD COCCN(C)NC(=O)[C@@H]1CCCc2nn[nH]c21 854412309 GDVYPLJLWLVIEF-MRVPVSSYSA-N 253.306 -0.166 50 20 CBGD CCONC(=O)CNC(=O)NNc1ncc(Cl)cn1 856921196 PAQZZTATFNIFCT-UHFFFAOYSA-N 288.695 -0.176 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)c2cccc(Cl)n2)C1 857323435 MQCTZDKCUGWJPJ-UHFFFAOYSA-N 296.714 -0.026 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1CC1(Cl)Cl 863458766 GBTMRHHHZBEJRJ-SCSAIBSYSA-N 289.140 -0.628 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccnc2ccnn12 863865402 RIUROTILVHLFGX-UHFFFAOYSA-N 262.273 -0.948 50 20 CBGD C#CCSCCNC(=O)c1cc(B(O)O)ccc1F 863873645 JIQBGNWVLUTCFN-UHFFFAOYSA-N 281.117 -0.398 50 20 CBGD C[C@@H](NCc1ccccc1B(O)O)[C@H](O)C(F)(F)F 877693896 TYPLAXCHJIMDFT-XCBNKYQSSA-N 277.051 -0.232 50 20 CBGD CCc1nn(C)cc1S(=O)(=O)NNC(=O)C(C)C 882665034 TWDNNRNDRMCWAE-UHFFFAOYSA-N 274.346 -0.052 50 20 CBGD COC(=O)c1ccc(C(=O)NN(C)C[C@@H](C)O)n1C 910145870 XNBKUOMLVOHMTB-MRVPVSSYSA-N 269.301 -0.231 50 20 CBGD CC(C)CCC(=O)NCC(=O)NN(C)C[C@H](C)O 910165437 KJKJUKWHUMDSTQ-JTQLQIEISA-N 259.350 -0.117 50 20 CBGD CS(=O)(=O)CCCC(=O)NNC(=O)C1CCC1 1116037926 ZFAJGNWXCOBEJG-UHFFFAOYSA-N 262.331 -0.241 50 20 CBGD O=C(NNC(=O)c1cnn2c(=O)cc[nH]c12)c1ccccn1 1116961024 ORNRDAJXQUOYOD-UHFFFAOYSA-N 298.262 -0.508 50 20 CBGD C=CCn1cc(C(=O)NNC(=O)NCC(F)(F)F)nn1 1118213839 SXIRKLJSYJKJMN-UHFFFAOYSA-N 292.221 -0.030 50 20 CBGD COCCOCC(=O)NNC(=O)c1occ2c1CCOC2 1118980700 QXWDSROJHVEJKX-UHFFFAOYSA-N 298.295 -0.224 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCNC(=O)C1 1261497949 PMLXEVHXURNZDK-XHNCKOQMSA-N 269.301 -0.915 50 20 CBGD COCC#CC(=O)NNC(=O)CNC(=O)c1cccs1 1261676217 BYXTUJSECQGHHB-UHFFFAOYSA-N 295.320 -0.725 50 20 CBGD CC1(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CCC1 1318954402 NSEUTOANFBQGRP-MRVPVSSYSA-N 274.342 -0.241 50 20 CBGD Cc1nnc(NNC(=O)CC[C@]2(C)CCC(=O)N2)nc1O 1320957225 XNAWGFSJQSMBDN-LBPRGKRZSA-N 294.315 -0.222 50 20 CBGD C=CCNC(=S)NNC(=O)c1ccc2nnc(O)n2c1 1326978902 QFXRKGRTIYHOKN-UHFFFAOYSA-N 292.324 -0.270 50 20 CBGD COCC#CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 1327719616 JHKVHXLOYIKUCM-LBPRGKRZSA-N 290.275 -0.376 50 20 CBGD CCOCCn1cc(C(=O)NN(C)C(N)=O)cn1 1331386378 HLPJIHZLDJEZAX-UHFFFAOYSA-N 255.278 -0.425 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2 1335151144 TWBHZFBPAIHSDX-CIUDSAMLSA-N 267.285 -0.298 50 20 CBGD O=C(NCc1nccs1)NNC(=O)C(=O)N1CCCC1 1338090493 VZMBPURSKDUNCJ-UHFFFAOYSA-N 297.340 -0.404 50 20 CBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)NC1CCCC1 1345809859 ALUQIJICLTUXBJ-PWSUYJOCSA-N 295.387 -0.352 50 20 CBGD O=C(NC[C@@H]1CCCN1)NNC(=O)c1ncccn1 1580651791 IPDMSBNWEHAVSI-QMMMGPOBSA-N 264.289 -0.827 50 20 CBGD C[C@H](C(=O)O)C(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 1588574085 WJGNITJLPYIHRR-FKSUSPILSA-N 256.258 -0.578 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1nc[nH]n1 1593162819 AHZZGZOCIRDXCY-UHFFFAOYSA-N 272.232 -0.863 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)NC1CCCCC1 1593909457 XNPSZCDRBICLAV-MRVPVSSYSA-N 273.289 -0.251 50 20 CBGD CCO/C=C(\C#N)C(=O)N(CCOC)CC(=O)O 1596862166 NTLAZNHWLLUHKN-CMDGGOBGSA-N 256.258 -0.010 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)NC[C@@](C)(O)C(=O)O)cn1 1600946799 PINPVDQDNWHRRA-AHAUYKDXSA-N 278.268 -0.721 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCN2CCCC[C@@H]12 1601552878 MBQZMMLIKNJUMT-SFYZADRCSA-N 270.289 -0.972 50 20 CBGD O=C(O)c1ccc(C(=O)NNC(=O)[C@@H]2COCCO2)o1 1608875088 MIOVYTUHJUSKEK-QMMMGPOBSA-N 284.224 -0.846 50 20 CBGD O=C(NNC(=O)c1ccc[n+]([O-])c1)c1cccnc1 22023969 JHZOVPZTKCKKHW-UHFFFAOYSA-N 258.237 -0.210 50 20 CBGD CCOC(=O)/C(C#N)=C/NCCN1CCOCC1 28804352 FGVFNMUPCBVLDS-ZHACJKMWSA-N 253.302 -0.121 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)c2ccccc2O)CC1 68511372 ZLEDEGJAHGTEKE-UHFFFAOYSA-N 277.280 -0.321 50 20 CBGD Cc1nn(CCC(=O)NN(C)C(N)=O)c(C)c1[N+](=O)[O-] 181083772 SKLRBOQHWCAPFO-UHFFFAOYSA-N 284.276 -0.160 50 20 CBGD CC1CC(NC(=O)NNC(=O)C(=O)N2CCCC2)C1 267985747 GSOXTCOSHUUOIE-UHFFFAOYSA-N 268.317 -0.262 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CCCCC(=O)N1 281369882 WPRPALUBNNIEMN-QMMMGPOBSA-N 270.358 -0.274 50 20 CBGD COc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cn1 299607414 WUHHKBUQUORXGE-UHFFFAOYSA-N 292.295 -0.526 50 20 CBGD C[C@H](C(=O)NNC(=O)c1ccccn1)N1CCN(C)CC1 299693839 VLHFHHKLSDPWES-LLVKDONJSA-N 291.355 -0.522 50 20 CBGD CCO/C=C(\C#N)C(=O)NC[C@@H](C)S(C)(=O)=O 490754643 REYLJNNTRJLUMP-KGOFQHAKSA-N 260.315 -0.020 50 20 CBGD CC(C)(C)OC(=O)N1CC(CC(=O)NNC(=O)CO)C1 496416738 CFEJDMNVTZGELD-UHFFFAOYSA-N 287.316 -0.617 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)C1CCC(O)CC1 584914401 WTFLBAKATMZNJB-UHFFFAOYSA-N 263.102 -0.144 50 20 CBGD CCN1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)C1 584934609 VFVSWRNFZHBXSA-LLVKDONJSA-N 276.145 -0.562 50 20 CBGD O=C(NCC1(O)CCCCC1)c1cc(B(O)O)ccc1F 584948936 JELPGGZQLINETB-UHFFFAOYSA-N 295.119 -0.070 50 20 CBGD CCOC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584958332 WWZAFXHOLHSKKW-LLVKDONJSA-N 277.129 -0.135 50 20 CBGD CC(C)(O)CN(C(=O)c1cccc(B(O)O)c1)C1CC1 584975724 YPUNAINULGPGTN-UHFFFAOYSA-N 277.129 -0.258 50 20 CBGD OC[C@H](NCc1ccc(B(O)O)cc1F)C1CCC1 585045465 IGHCEHCGUOBFBQ-ZDUSSCGKSA-N 267.109 -0.244 50 20 CBGD OB(O)c1cccc(-c2noc(CC3(O)CCC3)n2)c1 585051830 FFZCMOHAVFTMKU-UHFFFAOYSA-N 274.085 -0.126 50 20 CBGD O=[N+]([O-])c1ccc(S(=O)(=O)NCB(O)O)c(F)c1 585054960 VJZXDRCRJBELRB-UHFFFAOYSA-N 278.026 -0.976 50 20 CBGD O=S(=O)(c1cncc(F)c1)N1CC[C@H](B(O)O)C1 585057862 MLGWYFIZATWSDJ-ZETCQYMHSA-N 274.082 -0.542 50 20 CBGD O=C(CNC(=O)c1cccs1)NNC(=O)c1ccon1 725740032 QNHJBELWUYBSOI-UHFFFAOYSA-N 294.292 -0.073 50 20 CBGD CN(C)c1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)ccn1 731658497 YYNFLFGTPFASOL-SECBINFHSA-N 291.311 -0.813 50 20 CBGD CN(CC(=O)NNC(=O)c1ccncc1)C(=O)C1CC1 733123374 JBRQQVAQVRRTHZ-UHFFFAOYSA-N 276.296 -0.289 50 20 CBGD CC(=O)Nc1nc(C)c(S(=O)(=O)NNC(=O)O)s1 736168929 KHRGSGOLSMIOLR-UHFFFAOYSA-N 294.314 -0.129 50 20 CBGD C[C@H](NC(=O)NNc1cccnn1)C(=O)N(C)C 736377091 YLRODIAPIMBJTL-ZETCQYMHSA-N 252.278 -0.421 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@H]1C[C@@H]1C(=O)O 739041818 BUPCRNHNXSYZLY-BQBZGAKWSA-N 251.242 -0.493 50 20 CBGD NC(=O)N1CCC(=NNC(=O)N2CCOCC2)CC1 745591406 YVDRKPLXOWAHJD-UHFFFAOYSA-N 269.305 -0.441 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@H](C)C(=O)OC(C)C 745905872 NZNZUGLXYHNQSG-VIFPVBQESA-N 289.332 -0.059 50 20 CBGD COCCO[C@@H](C)C(=O)NN=Cc1c(N)ncnc1OC 748254335 ZHIYYCBSHMARPY-QMMMGPOBSA-N 297.315 -0.431 50 20 CBGD C[C@@H]1CO[C@@H](CO)CN1CC(=O)NNC(=O)C(C)(C)C 766942885 HDNBBSXUAPBYHI-NXEZZACHSA-N 287.360 -0.739 50 20 CBGD CC(C)(C(N)=O)C(=O)NNC(=O)COCc1ccccc1 767951072 VEPASHLBVCKJBW-UHFFFAOYSA-N 293.323 -0.138 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cc2c(nc1O)CCC2 768255245 HNECCNLKTLFLKF-UHFFFAOYSA-N 279.296 -0.192 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)C[C@H]1O 768767856 NWQUPFMYRCYDBA-JOYOIKCWSA-N 295.314 -0.101 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccn(C)c(=O)c1 772022122 TWUUKCBONRLUNR-MRVPVSSYSA-N 295.295 -0.512 50 20 CBGD N#CSCCCNC(=O)Cn1ccc(O)nc1=O 773586769 RLWVOAMIHRFKGH-UHFFFAOYSA-N 268.298 -0.331 50 20 CBGD CN(NC(=O)c1cc([N+](=O)[O-])ccc1O)C(N)=O 779675436 WVACDIZCPPGWFF-UHFFFAOYSA-N 254.202 -0.044 50 20 CBGD COC(C)(C)CC(=O)NNC(=O)Cc1cc[nH]n1 787334066 OFWNOMJFODVGLK-UHFFFAOYSA-N 254.290 -0.085 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)c1nccnc1N 790064718 BQINCNRRCVFSDE-UHFFFAOYSA-N 297.315 -0.391 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CCN(CC(=O)OC)CC1 790910864 SLWOCZQKWGKBNB-KHPPLWFESA-N 281.312 -0.252 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cc(=O)c(OC)co1 798988905 LPWVQGQXBZUMSA-UHFFFAOYSA-N 269.257 -0.046 50 20 CBGD CCN1CCO[C@@H](C(=O)NNC(=O)CC(F)(F)F)C1 806536890 LASSQXMZPYEQLL-SSDOTTSWSA-N 283.250 -0.193 50 20 CBGD CNC(=O)NCCC(=O)NNC(=O)c1ccc(C#N)cc1 814675622 QCVUIDOWSZJUSG-UHFFFAOYSA-N 289.295 -0.362 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H]1C(=O)O 817797115 HZJBMYSXAHXRJW-QMMMGPOBSA-N 271.317 -0.271 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cc(Cn2cccn2)on1 823922213 JIKCGQJOHUCPPO-SECBINFHSA-N 279.300 -0.123 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1COCCN1CC(F)(F)F 823927844 HLTQGFUHROTOSC-IUCAKERBSA-N 299.293 -0.407 50 20 CBGD O=C(NNC(=O)c1ccc(CO)cc1)C(=O)N1CCCC1 824877681 VEUPUOCVBMVIHU-UHFFFAOYSA-N 291.307 -0.438 50 20 CBGD COCC(COC)NC(=O)NNC(=O)[C@H]1CCO[C@H]1C 826918612 XKOVHVMYGVINFJ-WPRPVWTQSA-N 289.332 -0.597 50 20 CBGD COCCOCC(=O)NNC(=O)c1cccc(F)c1O 827869598 FXJVTYBQYDZBQT-UHFFFAOYSA-N 286.259 -0.045 50 20 CBGD COC/C(C)=C/C(=O)NNC(=O)CNC(=O)c1ccco1 844363479 MBAHGQDEOYSECI-RMKNXTFCSA-N 295.295 -0.251 50 20 CBGD COC(=O)COCC(=O)NNC(=O)c1cccc(F)n1 856427094 OOGMGQUAMIDUFC-UHFFFAOYSA-N 285.231 -0.829 50 20 CBGD CCCn1cc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 860698542 XOLVGRVCESKWCI-SECBINFHSA-N 294.315 -0.276 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)NC[C@H]1COCCN1 861681413 ILJSGILXGSZLFB-LURJTMIESA-N 284.238 -0.742 50 20 CBGD Cc1cc(F)cc(C(=O)NNC(=O)CS(C)(=O)=O)c1 863462960 PLDTZJAJDIUHIG-UHFFFAOYSA-N 288.300 -0.060 50 20 CBGD CO[C@@H]1COC[C@H]1NC(=O)NN=c1cc[nH]c(C)c1 875687333 LSZGATPJUAQTSB-GHMZBOCLSA-N 266.301 -0.148 50 20 CBGD CC[C@@H]1C(=O)NCCCN1C(=O)c1ccc(B(O)O)cc1 886501188 ZZTZLSHPVUKXSB-GFCCVEGCSA-N 290.128 -0.893 50 20 CBGD O=C(O)C1=CC[C@@H](NCc2ccc(B(O)O)cc2)C1 901733602 SZEUCQZOAYHPMA-GFCCVEGCSA-N 261.086 -0.371 50 20 CBGD C#CCCCC(=O)NNS(=O)(=O)c1ccnn1C 901967278 YSHRHGVMMMXQIK-UHFFFAOYSA-N 270.314 -0.467 50 20 CBGD O=C(CCc1ccccc1)NNC(=O)NCC#CCO 923784632 XNIZTQMTRKUTJS-UHFFFAOYSA-N 275.308 -0.055 50 20 CBGD O=C(NNC(=O)c1ccc2c(c1)COC2)C(=O)NC1CC1 1115921252 TVQKWLNPNGKDMC-UHFFFAOYSA-N 289.291 -0.244 50 20 CBGD COc1ccc(NC(=O)C(=O)NNC(C)=O)cn1 1116598318 ABERWPJWYBOXFP-UHFFFAOYSA-N 252.230 -0.804 50 20 CBGD CC(=O)N[C@H](C(=O)NNc1cnnn1C)C(C)C 1117762015 JWIJCAJAQVBJKW-VIFPVBQESA-N 254.294 -0.581 50 20 CBGD CC(C)n1cc(NC(=O)C(=O)NNC(=O)CN(C)C)cn1 1118368508 MESFJOAKJXLYSM-UHFFFAOYSA-N 296.331 -0.889 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)o1 1118971017 RSFCWSJFGQIQSD-LURJTMIESA-N 267.241 -0.672 50 20 CBGD Cn1cc(C(=O)NN[C@H](C(N)=O)c2ccc(C#N)cc2)cn1 1251919695 RAZMIMKFOOMIDL-LBPRGKRZSA-N 298.306 -0.247 50 20 CBGD CCc1cc(C(=O)NNC(=O)C(=O)NC(C)C)n[nH]1 1317816120 ZJFSZKXBDMCVDM-UHFFFAOYSA-N 267.289 -0.742 50 20 CBGD CCn1cc(S(=O)(=O)NNC(=O)c2cnn(C)c2)cn1 1318668586 ZPGXVMDEERGZEC-UHFFFAOYSA-N 298.328 -0.740 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)CO[C@@H]2CCOC2)n1 1323510134 DMDPPNQOAPROQY-LLVKDONJSA-N 296.327 -0.547 50 20 CBGD Cn1nncc1NNC(=O)[C@H]1CCc2cnn(C)c2C1 1331132814 RVQVJHZCMKIZHP-QMMMGPOBSA-N 275.316 -0.203 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCC(F)(F)C2)N1 1331805957 LNUHGHRBTKWSET-RQJHMYQMSA-N 275.255 -0.152 50 20 CBGD Cc1cc(COCC(=O)NN(C)[C@@H](C)CO)no1 1339051018 VNIIWJOUSYHBBL-QMMMGPOBSA-N 257.290 -0.157 50 20 CBGD COc1nccnc1NNC(=O)[C@H]1CN2CCN1C[C@H]2C 1352293415 YOIDSDPURIJEFP-NXEZZACHSA-N 292.343 -0.683 50 20 CBGD CC1(CC(=O)NNC(=O)CN2CCCC2=O)CC1 1354111607 QIRFCLOLWAYMCU-UHFFFAOYSA-N 253.302 -0.054 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1NCC12CCOCC2 1578402976 HOTQQQVULWRQBF-QMMMGPOBSA-N 256.306 -0.943 50 20 CBGD CC1(C(=O)O)CCN(CC(=O)NNC(=O)C2CC2)CC1 1589196838 DOBRSODGLCHGMQ-UHFFFAOYSA-N 283.328 -0.270 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cc(-c2nn[nH]n2)cs1 1590001629 ZBWIXOOEICMIFM-ZCFIWIBFSA-N 282.329 -0.114 50 20 CBGD CO[C@](C)(C(=O)O)C(=O)NNC(=O)[C@H]1CCCCO1 1593927265 VVAFARWBDRYDBA-HQJQHLMTSA-N 274.273 -0.807 50 20 CBGD CC[C@@H](C)N(C)CCNC(=O)NNC(=O)C(=O)O 1594967487 YRVYZETUUWUTJK-SSDOTTSWSA-N 260.294 -0.868 50 20 CBGD Nc1ccc2c(c1)CC[C@@H]2NC(=O)NNC(=O)C(=O)O 1601216903 VFUMFLYRYAPKQW-VIFPVBQESA-N 278.268 -0.329 50 20 CBGD CC(C)(C)[C@@H](C(=O)O)C(=O)NNc1ccc(C(N)=O)nn1 1602852381 AZNKYZLLYCAXCW-MRVPVSSYSA-N 295.299 -0.235 50 20 CBGD CN(C)c1ccc(CNC(=O)NNC(=O)C(=O)O)cc1 1610105458 PHICRDODVGWKPA-UHFFFAOYSA-N 280.284 -0.332 50 20 CBGD O=C(NCCN1CCOCC1)NNC(=O)c1ccccc1 42951102 VWBPLEBHZJJQJI-UHFFFAOYSA-N 292.339 -0.037 50 20 CBGD CSC[C@H](C)C(=O)NNC(=O)C(=O)NC1CC1 66819587 FEPSNQIAPFYAQE-LURJTMIESA-N 259.331 -0.589 50 20 CBGD CN1CCN(CC(=O)NNC(=O)CC(C)(C)C)CC1 111606981 LZHVJNBVBTZDCC-UHFFFAOYSA-N 270.377 -0.183 50 20 CBGD CNS(=O)(=O)CCNS(=O)(=O)CCCCl 231025097 ODUTVLCHJOUQNC-UHFFFAOYSA-N 278.783 -0.916 50 20 CBGD CN(C)C(=O)NNC(=O)CCOc1ccc(C(N)=O)cc1 267153902 OEGKYTNYCRBNGH-UHFFFAOYSA-N 294.311 -0.143 50 20 CBGD COc1cc(C)nc(NNC(=O)NCc2ncn(C)n2)n1 271093098 IUJVVBHNZWOURN-UHFFFAOYSA-N 292.303 -0.252 50 20 CBGD Cc1ccn(CC(=O)NNC(=O)C(C)(C)O)c(=O)c1 278345633 NWDZKJHBZOFOOL-UHFFFAOYSA-N 267.285 -0.925 50 20 CBGD Cc1ncccc1CC(=O)NNC(=O)C(=O)N1CCCC1 286025654 PLYURZVDVDMXDB-UHFFFAOYSA-N 290.323 -0.298 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cnn(CCF)c2)CC1 288075789 UTUAJZSODWRNDY-UHFFFAOYSA-N 298.322 -0.546 50 20 CBGD COCC[C@H]1COCCN1C(=O)c1ccc(B(O)O)cc1 584993137 WESMJUMUKNMOHV-ZDUSSCGKSA-N 293.128 -0.756 50 20 CBGD O=C(N[C@@H]1CC12CCOCC2)c1ccc(B(O)O)c(F)c1 584998459 QLWQLSXMLXYCMS-GFCCVEGCSA-N 293.103 -0.196 50 20 CBGD C[C@@H](CCNC(=O)c1cccc(B(O)O)c1)N(C)C 585007581 XSPWBQDPWSNRPM-JTQLQIEISA-N 264.134 -0.564 50 20 CBGD CCc1nc2n(n1)C[C@H](NCc1ccc(B(O)O)o1)CC2 585021845 OVZZIYZSOPVKGX-SECBINFHSA-N 290.132 -0.782 50 20 CBGD CC[C@H](C)[C@H](CO)NCc1ccc(B(O)O)cc1 585025264 PTBDTGMDCRWNCH-GWCFXTLKSA-N 251.135 -0.137 50 20 CBGD OC[C@@H](CC(F)F)NCc1ccc(B(O)O)cc1 585038076 RIJOYIILLVJOFK-SNVBAGLBSA-N 259.061 -0.528 50 20 CBGD C[C@@]1(CNCc2ccccc2B(O)O)CCC(=O)NC1 585048774 VVISWZJUCCXIBD-AWEZNQCLSA-N 276.145 -0.628 50 20 CBGD COCCOc1ccc(S(=O)(=O)NCB(O)O)cc1 585054746 QOLJEGRFLSFMBQ-UHFFFAOYSA-N 289.118 -0.998 50 20 CBGD O=S(=O)(c1c[nH]nc1Cl)N1CC[C@@H](B(O)O)C1 585056255 LRMXDPRXDKTTIO-RXMQYKEDSA-N 279.514 -0.700 50 20 CBGD CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NCB(O)O 585059518 QIOGKMYXKCPIEF-GFCCVEGCSA-N 292.144 -0.358 50 20 CBGD O=C(Cc1cn2ccccc2n1)N1CC[C@@H](B(O)O)C1 585069827 PWKSEVRJZCEYEL-SNVBAGLBSA-N 273.101 -0.048 50 20 CBGD CCOCC(=O)NNC(=O)NCCN1CCO[C@@H](C)C1 731282855 YYOQOJYYFWSGCX-JTQLQIEISA-N 288.348 -0.926 50 20 CBGD COCCCNC(=O)NNS(=O)(=O)c1c[nH]nc1C 732045351 IEFIDHNSSLYYOF-UHFFFAOYSA-N 291.333 -0.753 50 20 CBGD CS(=O)(=O)N1CCCC[C@H]1C(=O)NNc1cnccn1 734244199 URUDEXNABUWPQQ-VIFPVBQESA-N 299.356 -0.266 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H](O)C1 744384123 IQZOXCDDVXHZSG-VIFPVBQESA-N 257.334 -0.363 50 20 CBGD CC(C)[C@@H]1CN(C)CCN1CC(=O)NNC(=O)C1CC1 746461623 AJAONWQTRIGWHI-LBPRGKRZSA-N 282.388 -0.184 50 20 CBGD C[C@H](C(=O)NNC(=O)CN(C)C)c1cnn(C)c1 750240743 ZVORIYFUTGUNTQ-QMMMGPOBSA-N 253.306 -0.767 50 20 CBGD O=C1C[C@H](C(=O)NNC(=O)c2ccccc2O)CCN1 754451523 PSYHDNJMRWAZRU-MRVPVSSYSA-N 277.280 -0.321 50 20 CBGD CCn1ccnc1C=NNC(=O)C(=O)NC(C)C 755612078 SLMSFYBOJHMFTP-UHFFFAOYSA-N 251.290 -0.122 50 20 CBGD C[C@@H]1CC(=NNC(=O)C(=O)N2CCCC2)CN1C 761812445 QTONUBMABYUJEV-SECBINFHSA-N 252.318 -0.195 50 20 CBGD CC(=O)NNC(=O)c1sccc1-n1cnnn1 765990183 RMJIIUYUQVDRHY-UHFFFAOYSA-N 252.259 -0.495 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc2nc[nH]c2n1 768243268 CPRSRYDSENXMKE-UHFFFAOYSA-N 263.257 -0.510 50 20 CBGD CC(C)NC(=O)NNS(=O)(=O)N1CC[C@H](C)C1 777928096 IXHMAZGJIKIZDV-QMMMGPOBSA-N 264.351 -0.215 50 20 CBGD CNS(=O)(=O)c1cc(C(=O)NN=c2cc[nH]cc2)co1 780761873 JKMPANLPQXWJRE-UHFFFAOYSA-N 296.308 -0.239 50 20 CBGD CC(=O)NCCNC(=O)NNc1ccc(F)cn1 787724220 XNCBOHCCXLEZED-UHFFFAOYSA-N 255.253 -0.017 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1nc2ccccn2n1 791259021 LGQVAGSHLLMXEM-ZETCQYMHSA-N 298.328 -0.890 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@](C)(C(=O)NC)C1 797525333 IPZIMSGJAQUHFY-TVQRCGJNSA-N 284.360 -0.610 50 20 CBGD O=C(C[C@H]1CCCC(=O)N1)NNc1ncnc2[nH]cnc12 809687976 WYQALWYXGKEIST-SSDOTTSWSA-N 289.299 -0.145 50 20 CBGD C[C@H](CS(C)(=O)=O)NC(=O)NNc1ncncc1F 814310635 VFACRJOQGIPLEC-ZCFIWIBFSA-N 291.308 -0.325 50 20 CBGD COc1nccnc1NNC(=O)/C=C1\SCC(=O)N1C 823669588 LEGPWJQAPYSUSV-UITAMQMPSA-N 295.324 -0.025 50 20 CBGD CN(C)C1(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 825266914 OQKDDTMMZCYNKU-UHFFFAOYSA-N 294.311 -0.749 50 20 CBGD CC(C)(C(=O)NNC(=O)[C@H]1CCCCO1)N1CCOCC1 833241581 CIWVBORBCAZUEI-LLVKDONJSA-N 299.371 -0.186 50 20 CBGD CC(C)(C(=O)NNC(=O)[C@@H]1CCCCO1)N1CCOCC1 833241582 CIWVBORBCAZUEI-NSHDSACASA-N 299.371 -0.186 50 20 CBGD COc1ncnc(N)c1C=NNC(=O)[C@@H]1CCO[C@H]1C 842557269 VERDKIPHYVJAND-JGVFFNPUSA-N 279.300 -0.058 50 20 CBGD CN(NC(=O)[C@@H]1CC(=O)NC(=O)N1)C(=O)OC(C)(C)C 854918562 BAKORIZDDICBSH-LURJTMIESA-N 286.288 -0.517 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H](C)n1nnnc1C(C)(C)C 854922291 DUPUOEKZWGKTRA-ZETCQYMHSA-N 299.404 -0.001 50 20 CBGD CCO[C@@H](C(=O)NNC(=O)c1cnn(C)c1)C1CC1 859446989 ISGHBWGIQLLTAT-SNVBAGLBSA-N 266.301 -0.004 50 20 CBGD CCOC(=O)NCCC(=O)NNC(=O)c1cn[nH]c1 862475113 ZFLVWCQJWBSCSM-UHFFFAOYSA-N 269.261 -0.693 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)c(F)c1 863462774 XGHSEHSJEPKJNF-UHFFFAOYSA-N 288.300 -0.060 50 20 CBGD C[C@@H]1CN=C(NC(=O)c2ccc(B(O)O)cc2)S1 863884306 HBWFMXFJLRLPHY-SSDOTTSWSA-N 264.115 -0.413 50 20 CBGD O=C(/C=C/CN1CCOCC1)NNC(=O)NC1CC1 865015081 UHOQRGNZBKBBIL-OWOJBTEDSA-N 268.317 -0.632 50 20 CBGD CC[C@H](C)[C@H](OC)C(=O)NNC(=O)COCCOC 869905625 CKMGIPKQYRGIEG-ONGXEEELSA-N 276.333 -0.142 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)C(C)(C)C(N)=O 899996103 NFKWFFBNJTZIGX-UHFFFAOYSA-N 260.363 -0.208 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccnc(F)c1 1115921801 DULUMPJVUNADNB-UHFFFAOYSA-N 268.248 -0.494 50 20 CBGD N#Cc1ccc(NC(=O)C(=O)NNC(=O)CCO)cc1 1116623519 KWXKBRPZTROFSI-UHFFFAOYSA-N 276.252 -0.973 50 20 CBGD O=C(CN1CCC(=O)NC1=O)NNc1ncncc1F 1261248279 BZEFILJRPGUEIY-UHFFFAOYSA-N 282.235 -0.999 50 20 CBGD C[C@@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)N(C)C 1261908149 CZVGLMIKBJMTBF-QMMMGPOBSA-N 279.300 -0.882 50 20 CBGD CC1(C)NC(=O)N(CCC(=O)NNC=C(C#N)C#N)C1=O 1317720259 UHMHMXKURREQKG-UHFFFAOYSA-N 290.283 -0.741 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC(C)(C)C[C@@H](C)O 1318882164 IYJGDDBGZZSMMY-SSDOTTSWSA-N 275.305 -0.713 50 20 CBGD C[C@H]1C[C@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C[C@@H](C)O1 1329174795 ZYPSNMUYMUDWIE-JXUBOQSCSA-N 298.343 -0.449 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CC23CCOCC3)N1 1329532012 YHVKFNZENUHJPH-DTWKUNHWSA-N 281.312 -0.771 50 20 CBGD COc1nn(C)cc1C(=O)NNC(=O)NC1CC1 1333163765 NXNXXFLSALREKK-UHFFFAOYSA-N 253.262 -0.465 50 20 CBGD CCC[C@@H](NCc1ccc(B(O)O)cc1)C(=O)O 1334804687 AQSRGKHGNCUUMD-LLVKDONJSA-N 251.091 -0.291 50 20 CBGD C[C@H](NC(=S)NNC(=O)C(=O)NC1CC1)C1CC1 1347774011 XWOLXPGEOKSELJ-LURJTMIESA-N 270.358 -0.441 50 20 CBGD COc1coc(C(=O)NN(C)[C@H](C)CO)cc1=O 1352228242 CCRNGHOOHPAXLZ-SSDOTTSWSA-N 256.258 -0.394 50 20 CBGD O=C(CN1C(=O)CCC1=O)NNC(=O)NCC(F)(F)F 1352325278 NHGFUJPABXVQKT-UHFFFAOYSA-N 296.205 -0.972 50 20 CBGD NC[C@H](O)C(=O)NNC(=O)c1nc2ccccc2s1 1580329022 XJWSOKPPCBPYEC-ZETCQYMHSA-N 280.309 -0.623 50 20 CBGD O=C(CCCc1ccccc1)NNC(=O)CC1(O)CNC1 1580532724 WVUUCDDFXFOWAR-UHFFFAOYSA-N 291.351 -0.119 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccnc(-c2nn[nH]n2)c1 1589881686 AVGKIWKRICAHIL-SSDOTTSWSA-N 277.288 -0.781 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)OCC(=O)C(=O)O)cn1 1594537437 IYUVTBXHSYBJPL-KRXBUXKQSA-N 263.209 -0.476 50 20 CBGD Cc1oc(C(=O)O)cc1C(=O)NNC(=O)[C@@H]1COCCO1 1600826207 KGJIGNJBYVQICR-VIFPVBQESA-N 298.251 -0.537 50 20 CBGD O=C(O)CNC(=O)NN=C1CCCn2nccc21 1608754222 PXGAYNBDLMXWEW-UHFFFAOYSA-N 251.246 -0.235 50 20 CBGD O=C(NCCC[C@H]1CCCCO1)NNC(=O)C(=O)O 1610689573 BUYJDVNMFLUJBW-MRVPVSSYSA-N 273.289 -0.249 50 20 CBGD CNC(=O)NNC(=O)c1ccc2c(c1)OCC(=O)N2 48949603 YOWJJRXJIJUHPF-UHFFFAOYSA-N 264.241 -0.409 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc([S@@](C)=O)cc1 175945768 GRWCUABOQSBJCJ-LJQANCHMSA-N 283.353 -0.253 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCn2cccn2)[nH]n1 270618175 HKDXTLMFMDELON-UHFFFAOYSA-N 262.273 -0.234 50 20 CBGD CCCC(=O)N1CSC[C@@H]1C(=O)NN(C)C(N)=O 271274485 JKXRDEYVNBMFBW-SSDOTTSWSA-N 274.346 -0.270 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 298271187 CLDCZQMUMXOCPI-UHFFFAOYSA-N 294.267 -0.166 50 20 CBGD O=S(=O)(CCCCCl)N[C@H]1COC[C@H]1O 323450669 FPJKSJQPMLVSCI-JGVFFNPUSA-N 257.739 -0.316 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cn1 377935549 BQLXNTZGOJIKNY-INTQDDNPSA-N 278.312 -0.004 50 20 CBGD COC(=O)NNC(=O)Cn1c(=O)cnc2ccccc21 490540744 IABHYPPZQFYDPS-UHFFFAOYSA-N 276.252 -0.216 50 20 CBGD COC(=O)NCCCC(=O)NNC(=O)c1cnn(C)c1 491509681 QQCNKRNNAQCJKP-UHFFFAOYSA-N 283.288 -0.683 50 20 CBGD COC(=O)N(C)NS(=O)(=O)N1CCOC(C)(C)C1 497148368 LRMBIRGLPSYIQQ-UHFFFAOYSA-N 281.334 -0.455 50 20 CBGD CCN(C(=O)c1ccc(B(O)O)cc1)[C@H](C)COC 584932306 JOUZYHGYSPRGOQ-SNVBAGLBSA-N 265.118 -0.137 50 20 CBGD COCCCN(C)C(=O)c1ccc(B(O)O)cc1 584935347 HMQQYQGAECMJIR-UHFFFAOYSA-N 251.091 -0.525 50 20 CBGD CC[C@@H](COC)NC(=O)c1ccc(B(O)O)cc1 584949538 MURUILVKOKBVGJ-NSHDSACASA-N 251.091 -0.479 50 20 CBGD COC(C)(C)CNC(=O)c1ccc(B(O)O)c(F)c1 584955449 NOWRQUGJSFHZQH-UHFFFAOYSA-N 269.081 -0.340 50 20 CBGD CC1(O)C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 584961772 WYZOZLJOUNBHCB-NNQSOWQGSA-N 289.140 -0.116 50 20 CBGD CC[C@H](O)[C@H](CC)NC(=O)c1cccc(B(O)O)c1 584996659 NRGIYFNVRAKGOD-RYUDHWBXSA-N 265.118 -0.354 50 20 CBGD CCn1nncc1CNC(=O)c1ccc(B(O)O)c(F)c1 585011107 WRMJNHSDHNGWCK-UHFFFAOYSA-N 292.079 -0.953 50 20 CBGD CCOC1CC(O)(CNCc2ccc(B(O)O)cc2)C1 585038734 KZQDCSZCCXSLLJ-UHFFFAOYSA-N 279.145 -0.614 50 20 CBGD CC(C)(CNCc1ccc(B(O)O)cc1F)OCCO 585041464 PYBJBRHCHBVNBV-UHFFFAOYSA-N 285.124 -0.617 50 20 CBGD C[C@H]1CCC[C@@]1(O)CNCc1ccc(B(O)O)o1 585042988 IWYNORTYGCDLRA-JOYOIKCWSA-N 253.107 -0.400 50 20 CBGD CC(C)(C)N1CC[C@H](NCc2ccccc2B(O)O)C1=O 585047411 BTKYABNPFMDFLK-ZDUSSCGKSA-N 290.172 -0.145 50 20 CBGD O=S(=O)(C[C@@H]1CCCCO1)N1CC[C@H](B(O)O)C1 585057694 JHNPXGQUMYGXDF-UWVGGRQHSA-N 277.151 -0.566 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NCCn1cncn1 726710393 XIOGSIQMYQHMLG-UHFFFAOYSA-N 254.294 -0.345 50 20 CBGD O=C(COCC1CC1)NNC(=O)Cc1cc[nH]n1 730103117 XSUGRHJSFCVBKJ-UHFFFAOYSA-N 252.274 -0.474 50 20 CBGD O=C(O)[C@H]1C[C@H]1C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 739453539 KLGJZFHIKFLFLC-WCABBAIRSA-N 290.275 -0.142 50 20 CBGD Cc1cncc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 742491552 YGCVHGDVQCHHCV-SECBINFHSA-N 297.336 -0.414 50 20 CBGD C=CCCOCCNC(=O)NNC(=O)COCC 757680063 VMJATQPTPGOJFS-UHFFFAOYSA-N 259.306 -0.054 50 20 CBGD CN(NC(=O)COc1ccc(C(N)=O)cc1)C(N)=O 778411368 FAXFTSQHYFTQOF-UHFFFAOYSA-N 266.257 -0.794 50 20 CBGD CCC(=NNC(=O)NCC(=O)OC)c1cn[nH]c1 789037172 NFOHZVQBGZYMRC-UHFFFAOYSA-N 253.262 -0.004 50 20 CBGD CNC(=O)NNC(=O)[C@H]1COCCN1C1CCCC1 793175087 GCECNQKPSJUACT-SNVBAGLBSA-N 270.333 -0.410 50 20 CBGD N#Cc1cccc(C(=O)NN=C2C(=O)NC(=O)NC2=O)c1 814220759 HZJNZRCXKBXFRD-UHFFFAOYSA-N 285.219 -0.990 50 20 CBGD CC(C)CC(=O)NNC(=O)C1(n2cnnn2)CC1 820709550 GNFIETBQNNONLU-UHFFFAOYSA-N 252.278 -0.644 50 20 CBGD CC(C)[C@@H](CO)NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 827280410 BJJVPRLKSIYSQD-IVZWLZJFSA-N 273.333 -0.241 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1cc(C(=O)O)n(C)c1 829799634 PWLVMDXLZGLGSK-UHFFFAOYSA-N 290.301 -0.764 50 20 CBGD Cc1cccc(F)c1NNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 832357275 OKEXXXLLNCPBON-NQBHXWOUSA-N 296.298 -0.010 50 20 CBGD Cc1c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cnn1C 843641728 HNQAOFGPVPJCKI-DTWKUNHWSA-N 266.301 -0.085 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1 843657526 PMOIRRXVOXUKNM-XCBNKYQSSA-N 269.301 -0.963 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)on1 843980812 WWYXJCFOVWMDHL-BQBZGAKWSA-N 297.267 -0.353 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]1C1CCC1)C(=O)NC1CC1 845109183 NKWXOLDELQQKTE-VHSXEESVSA-N 265.313 -0.151 50 20 CBGD CC(=O)NCCCCCC(=O)NNC(=O)c1cc[nH]n1 855359191 IZZGRDCWQIYHIJ-UHFFFAOYSA-N 281.316 -0.133 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1noc2c1COCC2 857867660 IBLMJKXBSZPTBA-SFYZADRCSA-N 295.295 -0.067 50 20 CBGD CO[C@H](C)CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858194797 KLIDKKUBAXMARG-HTQZYQBOSA-N 272.305 -0.980 50 20 CBGD O=C(CC1CCCC1)NNC(=O)[C@@H]1CCC(=O)N1 862449466 PNZULLRMLZETSF-VIFPVBQESA-N 253.302 -0.007 50 20 CBGD Cn1cc(CCC(=O)NNC(=O)c2cn[nH]c2)cn1 862475115 ZGPUBHZDURUYSX-UHFFFAOYSA-N 262.273 -0.463 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1CC12CCCC2 863462732 JHEUDZMLGCCZGD-MRVPVSSYSA-N 274.342 -0.241 50 20 CBGD CC(C)(C)C(=O)CNC(=O)c1cc(B(O)O)ccc1F 863878950 XXBVMJQGRDOLKH-UHFFFAOYSA-N 281.092 -0.150 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C 869901754 YFGSWRIWLSUVAK-WDCWCFNPSA-N 288.344 -0.144 50 20 CBGD COCCOCC(=O)NNC(=O)c1cnn2c1CCC2 869904966 GNXVUQXFUYVHJH-UHFFFAOYSA-N 282.300 -0.747 50 20 CBGD COCCOCC(=O)NNC(=O)c1cnc2ccccn12 869908475 OCPBCQDYOMMHME-UHFFFAOYSA-N 292.295 -0.242 50 20 CBGD CN(C)c1cnc(C(=O)NNC(=O)C2CCOCC2)cn1 883067263 BEHKHNUQDMABGE-UHFFFAOYSA-N 293.327 -0.270 50 20 CBGD CCN1CCC[C@@H](NCc2ccc(B(O)O)cc2)C1=O 896728984 KFFZUZONZAKOKM-CYBMUJFWSA-N 276.145 -0.533 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)OC(C)(C)C)C1=O 899925406 LZWHZRHEXSWDRA-SSDOTTSWSA-N 273.289 -0.601 50 20 CBGD CCNC(=O)CNC(=O)NNC(=O)C1CCCC1 915916770 OACPGBHYZCOOAM-UHFFFAOYSA-N 256.306 -0.357 50 20 CBGD COc1ncncc1NC(=O)NNC(=O)CCO 1116616357 HFWZRRUHBUHPKS-UHFFFAOYSA-N 255.234 -0.980 50 20 CBGD C[C@H](Sc1nncn1C)C(=O)NNC(=O)c1cn[nH]c1 1118885016 TZRGPUUABSLXQU-LURJTMIESA-N 295.328 -0.520 50 20 CBGD C=C(C)CCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1120615297 OBROADYJGHFUHZ-VIFPVBQESA-N 274.342 -0.075 50 20 CBGD COC(=O)NNC(=O)CNC(=O)c1cc(Cl)ccn1 1317745782 NAIYVMRDFMUNHI-UHFFFAOYSA-N 286.675 -0.148 50 20 CBGD CC(=NNC(=O)CCO)c1cc(C(N)=O)n(C)c1 1318932397 VPZMEYHBTMBREA-UHFFFAOYSA-N 252.274 -0.653 50 20 CBGD N#CC1=CCN(C(=O)N2CCS(=O)(=O)CC2)CC1 1320988439 DFHULQDXAYWQLJ-UHFFFAOYSA-N 269.326 -0.008 50 20 CBGD Cn1cc(C(=O)NNc2ccc(S(C)(=O)=O)cc2)nn1 1323781145 OHCIJLIMOJQRIH-UHFFFAOYSA-N 295.324 -0.025 50 20 CBGD O=C(NCC1CC1)NNC(=O)C1(O)CCOCC1 1324106739 MYBMAWLXVYZHKP-UHFFFAOYSA-N 257.290 -0.732 50 20 CBGD Cc1cc(C(=O)NNC(=O)C[C@H]2COC(=O)C2)n[nH]1 1324558170 JSWYPPYREIKIKO-SSDOTTSWSA-N 266.257 -0.568 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)CC[S@](=O)C1 1324629395 NYRDBQYHHGBKMI-HOGDKLEQSA-N 287.385 -0.756 50 20 CBGD COCCCNC(=O)NNC(=O)c1cc(=O)c(OC)co1 1325129022 PBLXCNUWEYKBTN-UHFFFAOYSA-N 299.283 -0.371 50 20 CBGD CS(=O)(=O)CC(=O)NNc1ncc(Cl)cn1 1331209232 FKKAIIVCVFVDLX-UHFFFAOYSA-N 264.694 -0.382 50 20 CBGD CSCCNC(=S)NNC(=O)c1ncccn1 1334745201 MEYBVQBVGAPEOL-UHFFFAOYSA-N 271.371 -0.052 50 20 CBGD Cc1nn(C)c(C)c1OCC(=O)N1CC[C@@H](B(O)O)C1 1348490037 KVDDTOWCPXQDRV-SNVBAGLBSA-N 281.121 -0.509 50 20 CBGD Cn1cnc(/C=C\C(=O)NNC(=O)NC2CCNCC2)c1 1579982621 LALOJHWBMSYLFB-IHWYPQMZSA-N 292.343 -0.484 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1cnncc1O 1593162849 CDWHYOTZABJXSS-UHFFFAOYSA-N 299.254 -0.486 50 20 CBGD O=C(O)Cn1cc(C(=O)NNc2ccnc(F)c2)nn1 1595143767 VJRCQWFQJGSJDE-UHFFFAOYSA-N 280.219 -0.346 50 20 CBGD O=C(O)c1cccc(CNC(=O)c2ccc(B(O)O)cc2)c1 1595243525 LOOWQOVEMQHMDK-UHFFFAOYSA-N 299.091 -0.005 50 20 CBGD O=C(O)c1ccc(NNC(=O)[C@@H]2COCCO2)nc1 1602384912 MMPAMBVQTJOBEM-QMMMGPOBSA-N 267.241 -0.362 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc(C(=O)O)cc2)N1 1602638252 NDWKJWRIRZFMRB-SECBINFHSA-N 291.263 -0.576 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@]1(C(=O)O)CCCO1 1605723488 CTIHZKWNRALUKE-ZDUSSCGKSA-N 293.279 -0.595 50 20 CBGD C[C@@]1(CNC(=O)NNC(=O)C(=O)O)CCO[C@@H]1C1CC1 1609821814 PMJFFOGFUJQAHU-PELKAZGASA-N 285.300 -0.393 50 20 CBGD O=C(CN1CCC[C@@H](O)C1)NNC(=O)c1ccccc1 47864717 HFWSXKKEGFJAJV-GFCCVEGCSA-N 277.324 -0.096 50 20 CBGD COCc1nc(C)c(C(=O)NNC(=O)CN(C)C)s1 89486988 MSWCFESPTCXWHX-UHFFFAOYSA-N 286.357 -0.079 50 20 CBGD C=CCNC(=S)NNC(=O)N[C@H]1CCS(=O)(=O)C1 138958000 ZYOVUVOKIMIAHA-ZETCQYMHSA-N 292.386 -0.962 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccccc1-n1ccnn1 192930437 WIPSIQQIRZIRDJ-UHFFFAOYSA-N 289.295 -0.201 50 20 CBGD O=C(CN1CCCCC1=O)NNC(=O)N1CCOCC1 264234300 XDLBAMYRTGOJPF-UHFFFAOYSA-N 284.316 -0.928 50 20 CBGD COC(=O)NCC(=O)NNC(=O)c1ccccc1OC 264552896 ZJASVQKQJLSMBV-UHFFFAOYSA-N 281.268 -0.188 50 20 CBGD O=C(CN1CCSC1=O)NNC(=O)c1ccc[nH]1 264873940 RPJMWEWKKLMBOZ-UHFFFAOYSA-N 268.298 -0.056 50 20 CBGD CN1C[C@H](NC(=O)NNC(=O)OC(C)(C)C)CC1=O 267519958 UCZAZKFIBJRCRX-SSDOTTSWSA-N 272.305 -0.044 50 20 CBGD NNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 270186784 BDRMBROHILGIIM-UHFFFAOYSA-N 290.370 -0.644 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CC(c2cccnc2)=NO1 276914404 WUQIZVWTXAGJBF-SECBINFHSA-N 263.257 -0.465 50 20 CBGD COC(=O)N(C)NC(=O)C1=C(C)N(C)c2nnnn2C1 286517842 XIPLHSSDMZWWRG-UHFFFAOYSA-N 281.276 -0.874 50 20 CBGD O=C(NNC(=O)[C@@H]1CN2CCCN1CC2)c1ccccc1 368571509 DBSCGNBUMXFUJW-ZDUSSCGKSA-N 288.351 -0.163 50 20 CBGD CCN(CC)C(=O)CNC(=O)c1ccc(B(O)O)c(F)c1 584935198 BJGNUWLBKZHJGO-UHFFFAOYSA-N 296.107 -0.896 50 20 CBGD CCC[C@](C)(O)CNC(=O)c1ccc(B(O)O)c(F)c1 584953755 GHSOTTHDKBDGEG-ZDUSSCGKSA-N 283.108 -0.214 50 20 CBGD NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1cccc(B(O)O)c1 584960164 IZDVPTCGXUDSKC-NWDGAFQWSA-N 290.128 -0.860 50 20 CBGD COC[C@]1(C)CCN(C(=O)c2ccc(B(O)O)cc2)C1 584995592 OCNNXNPOIYLEIH-CQSZACIVSA-N 277.129 -0.135 50 20 CBGD CO[C@@]1(C)CCN(C(=O)c2cccc(B(O)O)c2)C1 584997466 CPRAUVAYBOZNII-ZDUSSCGKSA-N 263.102 -0.383 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@H]2COC[C@H]2C1 585005242 BVNLYHNNIDYRTG-WDEREUQCSA-N 293.103 -0.386 50 20 CBGD CN1CCC[C@@H](CNCc2cccc(B(O)O)c2)C1 585024255 SLSVEIKMCZLBPQ-ZDUSSCGKSA-N 262.162 -0.202 50 20 CBGD CSC[C@@](C)(O)CNCc1ccc(B(O)O)o1 585025246 PJTVWKBPRZCXKZ-JTQLQIEISA-N 259.136 -0.837 50 20 CBGD OB(O)c1ccc(CNCCCN=c2cc[nH]cc2)o1 585026570 PMAHDFBOOCAOCL-UHFFFAOYSA-N 275.117 -0.632 50 20 CBGD Cn1ccc(CCNCc2ccc(B(O)O)cc2F)n1 585034589 KFKCNUXKCLGQQC-UHFFFAOYSA-N 277.108 -0.429 50 20 CBGD CCCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](B(O)O)C1 585072201 JTLBGIXOLCCXRB-GHMZBOCLSA-N 282.149 -0.147 50 20 CBGD CNC(=O)NNC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O 726528349 STAWRQIZINAHJV-SSDOTTSWSA-N 297.315 -0.800 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)Cc2cc[nH]n2)n1 730091599 NMPFHRDNNSUSDE-UHFFFAOYSA-N 276.300 -0.387 50 20 CBGD Cc1c(/C=C(/C#N)C(=O)NCc2nn[nH]n2)cc(C#N)n1C 732158306 YIENTWDRPMGEKQ-KMKOMSMNSA-N 296.294 -0.058 50 20 CBGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCOC1 741761701 GKBOGKHHTDDWMU-VHSXEESVSA-N 289.357 -0.115 50 20 CBGD CCO[C@@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 748239532 IBINUNJUICSBGQ-QMMMGPOBSA-N 257.290 -0.819 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 749356628 FLFXKECFRKVTOL-SSDOTTSWSA-N 280.288 -0.887 50 20 CBGD CC[C@H](C)OCC(=O)NNC(=O)C(=O)NC(C)C 751562970 MQVQTSKFNKQQGM-QMMMGPOBSA-N 259.306 -0.527 50 20 CBGD CC1(CC(=O)NNC(=O)C(=O)N2CCCC2)CC1 757893980 GKYNOSKXEQBQJO-UHFFFAOYSA-N 253.302 -0.054 50 20 CBGD CC(C)[C@H](C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758047883 OKSNOIMKRHNDDP-JGVFFNPUSA-N 279.362 -0.636 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCc2nn[nH]c2C1 759532291 UORSNDMQSQYETP-SSDOTTSWSA-N 266.305 -0.891 50 20 CBGD CCOCC(=O)NNC(=O)NCc1cnn(C)c1C 759609935 YEUBQNTXLQUMRW-UHFFFAOYSA-N 269.305 -0.405 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cc(C)ccc1OC 764300824 XRCQVQCBKUDPCU-UHFFFAOYSA-N 295.295 -0.264 50 20 CBGD COc1nccnc1NNC(=O)CN(C)C(=O)C1CC1 764466299 ZJBVGIFBFARJGP-UHFFFAOYSA-N 279.300 -0.203 50 20 CBGD N#Cc1ncn(CC(=O)NN=c2cc[nH]cc2Cl)n1 768444499 QYAMGUTXSRKDTH-UHFFFAOYSA-N 277.675 -0.237 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H]1CCOC1 772143668 RCKQTAPGBOPUJC-IUCAKERBSA-N 272.301 -0.098 50 20 CBGD CC[C@H]1C[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)CCO1 779892452 JBXGUYXLQJSEND-MNOVXSKESA-N 297.355 -0.039 50 20 CBGD CNC(=O)CCCC(=O)NNC(=O)NCC1CC1 780470259 PVODRVFZZYOJET-UHFFFAOYSA-N 256.306 -0.357 50 20 CBGD COc1nccc(NC(=O)NNC(=O)Cc2cc[nH]n2)n1 801726797 LEESKRVZTNZWGU-UHFFFAOYSA-N 291.271 -0.396 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@]2(C)CCOC2)CC1 807383163 MWLGQYVWGVTOJM-GFCCVEGCSA-N 270.333 -0.599 50 20 CBGD Cn1cc(C=NNC(=O)CN2CCCC2=O)c(O)n1 814216276 FSAHBCFORWAWII-UHFFFAOYSA-N 265.273 -0.802 50 20 CBGD CC1(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)COC1 814814497 NFAWBLQJAGJHQD-MRVPVSSYSA-N 275.330 -0.505 50 20 CBGD Cn1cnn(CCC(=O)NN=c2cc[nH]cc2Cl)c1=O 816126199 XZIOEJGGFOKJHT-UHFFFAOYSA-N 296.718 -0.415 50 20 CBGD CC(C)CC(=O)NNC(=O)NC1CN(C(=O)O)C1 824170202 HKTVLNBFPMHZMN-UHFFFAOYSA-N 258.278 -0.275 50 20 CBGD Cc1cc(=NNC(=O)CN2CCOC2=O)cc[nH]1 824863317 NRBPJAFTMJRCAU-UHFFFAOYSA-N 250.258 -0.293 50 20 CBGD CO[C@@H]1COC[C@H]1NC(=O)NNc1ccncn1 827474074 PWXPXUGGGFPMOF-HTQZYQBOSA-N 253.262 -0.484 50 20 CBGD CC[C@@H]1C(=O)N(CC)CCN1CC(=O)NNC(=O)C(C)C 828992655 UVUPTUFUMVVVRM-LLVKDONJSA-N 298.387 -0.268 50 20 CBGD CCCN1C[C@@H](C(=O)NN(C)C(=O)NCC)CC1=O 839716411 BNYOCSWTCWDWPA-VIFPVBQESA-N 270.333 -0.063 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 843645408 HQILHJXVLXLSJI-BDAKNGLRSA-N 269.301 -0.819 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc(N(C)C)cn1 843977093 FSCYONRUKAUVKM-BDAKNGLRSA-N 293.327 -0.271 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1nccnc1N 843980791 WQEBCVQUYLZNRX-NKWVEPMBSA-N 265.273 -0.755 50 20 CBGD C=C[C@H](CO)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 852394043 LINLXBOLNHXVBD-IWSPIJDZSA-N 257.290 -0.711 50 20 CBGD COC(=O)N(C)CCNC(=O)NNc1ccncn1 852656375 WDUTYTYKDFMZND-UHFFFAOYSA-N 268.277 -0.199 50 20 CBGD COCCCNC(=S)N(C)NC(=O)C(C)(C)CO 854283783 KHXKOPABAIHHBC-UHFFFAOYSA-N 277.390 -0.121 50 20 CBGD CC(=O)N1CC[C@@H](NC(=O)NNC(=O)[C@H]2CCCCO2)C1 856914623 UFLUIFPJBNGTTO-GHMZBOCLSA-N 298.343 -0.493 50 20 CBGD C[C@@]1(CNC(=O)Cn2cnnn2)C[C@@H]1Br 857690363 RXZDUZAVRVORMD-XPUUQOCRSA-N 274.122 -0.037 50 20 CBGD Cc1ccc(NNC(=O)NC[C@@H]2COCCN2)nn1 861682886 XOADTIOIXLVAOU-SECBINFHSA-N 266.305 -0.600 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cccc3c2OCO3)N1 862453337 TYHUKJWVKIFPCF-QMMMGPOBSA-N 291.263 -0.545 50 20 CBGD O=C(CCOC[C@H]1CCCO1)NNC(=O)c1cn[nH]c1 862474123 GCOXBIFZWJVXQH-SNVBAGLBSA-N 282.300 -0.244 50 20 CBGD Cc1cccc(NNC(=O)CCn2ncn(C)c2=O)n1 862519341 BMXXIUPYLGQTNS-UHFFFAOYSA-N 276.300 -0.181 50 20 CBGD CS(=O)(=O)CC(=O)NN=C1CC(=O)N2CCCC[C@H]12 863187023 VAZUSQSZYXEAPS-SECBINFHSA-N 287.341 -0.712 50 20 CBGD COCCC1(C(=O)NNC(=O)CS(C)(=O)=O)CCC1 863462562 RPQMXSGJGHWIKD-UHFFFAOYSA-N 292.357 -0.615 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1COc2ccccc21 863463729 RUVPWWOFLHFTGS-SECBINFHSA-N 298.320 -0.645 50 20 CBGD C#CC[C@@H](CCOC)NCc1cccc(B(O)O)c1 863892311 SEUWSSFFXKGLPU-AWEZNQCLSA-N 261.130 -0.116 50 20 CBGD C[C@H](C[C@@H]1CCOC1)NC(=O)c1ccc(B(O)O)cc1 866585046 MYPYKUHWNXFDRK-MNOVXSKESA-N 277.129 -0.089 50 20 CBGD CC(C)(CCl)CS(=O)(=O)N1CCO[C@H](C(N)=O)C1 866678748 XCSAQNUTWFDDOY-QMMMGPOBSA-N 298.792 -0.233 50 20 CBGD CC[C@H](NC(C)=O)C(=O)NNC(=O)NCC(F)(F)F 868027806 KLTSSSISKALZPO-LURJTMIESA-N 284.238 -0.206 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@H]2CCCN2C)n[nH]1 869012376 OOWIOHKJOAIPJP-SNVBAGLBSA-N 265.317 -0.498 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H]2CC23CCC3)N1 873080607 QXFDCVGMWMQBQT-JGVFFNPUSA-N 266.301 -0.462 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1CN(C)CCO1 887144676 VZBUQORYCTWRNF-SNVBAGLBSA-N 253.302 -0.732 50 20 CBGD Cn1cc([C@H](O)C(=O)NNC(=S)NC(C)(C)C)cn1 899997500 VRTHJPBHBBQRJN-QMMMGPOBSA-N 285.373 -0.253 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)CC1 908054848 JWOFBXWZONIUKS-DVVUODLYSA-N 280.328 -0.800 50 20 CBGD C[C@@H](NNC(=O)[C@H]1OCCN(C)C1=O)C(F)(F)F 912898805 QYYCMBHAJFNSGV-PHDIDXHHSA-N 269.223 -0.585 50 20 CBGD CC1=C(C(=O)NNC(=O)CN2CCCC2=O)SCCO1 913733096 VOZGWEFKSGPFCX-UHFFFAOYSA-N 299.352 -0.249 50 20 CBGD CCC(=O)NN=Cc1nc2c(c(O)nc(=O)n2C)n1C 920362218 QOLNLRASRHJWIU-UHFFFAOYSA-N 278.272 -0.767 50 20 CBGD COCCCNC(=O)NNC(=O)c1cc(C)n(C)n1 920862663 NOCFSOHVYOTDII-UHFFFAOYSA-N 269.305 -0.291 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CCN(Cc2ccccc2)C1=O 930585661 JILQQKYMONALEB-LLVKDONJSA-N 290.323 -0.005 50 20 CBGD Cc1cccc(C(=O)NNC(=O)NCCn2cncn2)n1 1116878289 VOTAUFGAKSNOBC-UHFFFAOYSA-N 289.299 -0.374 50 20 CBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1nncc(N)c1Cl 1118372921 AAZRMDWXFRHITR-RFZPGFLSSA-N 284.707 -0.333 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1CCN2CCC[C@@H]2C1 1118864938 VCWXIYLQPSHQNT-GHMZBOCLSA-N 292.343 -0.020 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cnc(C)cn1 1252056507 FYHQUPYBJSLJCR-UHFFFAOYSA-N 293.327 -0.149 50 20 CBGD Cc1nnc(NNC(=O)C2(C(=O)NC3CC3)CC2)nc1O 1318114374 FPZHDLZLFAJSAN-UHFFFAOYSA-N 292.299 -0.612 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNC(=S)NC(C)C 1319656697 OZILKYDOVWENTJ-LURJTMIESA-N 262.335 -0.365 50 20 CBGD CCOCC(=O)NNC(=O)NCc1cnn(CCOC)c1 1321399596 MPRPAGOPBJJKBN-UHFFFAOYSA-N 299.331 -0.604 50 20 CBGD O=C(CCn1ccnn1)NNc1ccc(-n2ccnc2)nn1 1322555280 MOZBGYYGOADBAL-UHFFFAOYSA-N 299.298 -0.213 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NOC1CCOCC1 1326767022 NIOBNCNYTSONBV-WCBMZHEXSA-N 287.316 -0.148 50 20 CBGD Cn1nncc1NNC(=O)CS(=O)(=O)C1CCCC1 1328637279 RBQPAYSXARNWJM-UHFFFAOYSA-N 287.345 -0.384 50 20 CBGD CC(=O)N1CCC[C@H](C(=O)N2CC[C@H](B(O)O)C2)C1 1329670920 GHCLYXKPXGGKAS-QWRGUYRKSA-N 268.122 -0.680 50 20 CBGD Cn1cc(C(=O)NNC(=O)C[C@@H]2CCCC(=O)N2)cn1 1329802559 YXVCKFLOFDDGTF-VIFPVBQESA-N 279.300 -0.760 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1C[C@H]1c1cncn1C 1330224428 KETZQZJMHDGHPH-RKDXNWHRSA-N 265.317 -0.767 50 20 CBGD CCc1nocc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1335329755 OCJVJMQIDYNIOH-MRVPVSSYSA-N 266.257 -0.723 50 20 CBGD CCc1nn(C)cc1C(=O)NNC(=O)C(=O)NC(C)C 1341604117 QBUMUBSFSRJRCC-UHFFFAOYSA-N 281.316 -0.732 50 20 CBGD CCOC(=O)[C@@H](N[C@H](C)C(=O)NNC(=O)CC)C1CC1 1346125511 CGGKWPXWDGZHGM-KCJUWKMLSA-N 285.344 -0.136 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCn3ccnc3C2)cn1 1347955562 WDBLFAWZKDVYHE-SECBINFHSA-N 288.311 -0.360 50 20 CBGD CCc1ccc(C(=O)NNC(=O)CC2(O)CNC2)cc1 1578252448 AOEOSSKHQULLIA-UHFFFAOYSA-N 277.324 -0.266 50 20 CBGD Cc1c(C(=O)NNC(=O)Cc2cc[nH]n2)cc(CN)n1C 1579526234 FZSXRWQMPQJOGV-UHFFFAOYSA-N 290.327 -0.481 50 20 CBGD CCN(CCO)NC(=O)c1ccc(-c2nn[nH]n2)s1 1590714744 TVRHESUPCYOWCG-UHFFFAOYSA-N 282.329 -0.113 50 20 CBGD CCC(=O)NNS(=O)(=O)c1ccc(C(=O)O)nc1 1594712585 SXXCAYJLJBXYJO-UHFFFAOYSA-N 273.270 -0.501 50 20 CBGD O=C(O)CSCC(=O)NNC(=O)N=c1cc[nH]cc1 1595126790 ILMQOTGEDABJOM-UHFFFAOYSA-N 284.297 -0.526 50 20 CBGD CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)NNC(=O)C(=O)O 1595373021 BBVZBHTUKHGHTM-SFYZADRCSA-N 287.316 -0.005 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1 1596463374 XNEAXJSBNGLVNV-BWZBUEFSSA-N 273.289 -0.443 50 20 CBGD CN1CCN(C(=O)NNC(=O)CCCC(=O)O)CC1 1598611017 UGDPDAPKWOMFSB-UHFFFAOYSA-N 272.305 -0.771 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1CC[C@H](C(=O)O)C1 1604578321 DMFHKBFQBYRTKJ-BDAKNGLRSA-N 287.316 -0.146 50 20 CBGD Cc1c(/C=C(\C#N)C(N)=O)cc(-c2nn[nH]n2)n1C 1605486755 RMJNVUMAYXZLFP-FPYGCLRLSA-N 257.257 -0.094 50 20 CBGD COc1nccnc1NNC(=O)c1cc(C(=O)O)no1 1607361733 OPLNWGRMDHFZMI-UHFFFAOYSA-N 279.212 -0.072 50 20 CBGD CC[C@H](C(=O)O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1609886505 NDIHFHWHRVBRGR-CSMHCCOUSA-N 258.274 -0.330 50 20 CBGD CC(=O)c1ccc(C(=O)NNC(=O)C(=O)NC2CC2)s1 7436872 YHDBXGROPQGMPI-UHFFFAOYSA-N 295.320 -0.010 50 20 CBGD O=C(CN1CCNCC1)NNC(=O)c1ccccc1 37389292 BFWYBRCXQSHJQR-UHFFFAOYSA-N 262.313 -0.647 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(C(=O)OC)cc1 48962084 SIDYPRJSJXSWDX-UHFFFAOYSA-N 287.297 -0.405 50 20 CBGD Cc1n[nH]c(C(=O)NNC(=O)[C@@H]2COCCO2)c1C 267041470 PBTIJROQZABXFO-QMMMGPOBSA-N 268.273 -0.797 50 20 CBGD O=C1CCC[C@H](C(=O)NNC(=O)c2ccccn2)N1 270254200 VMMSSFASBRNWDK-SECBINFHSA-N 262.269 -0.489 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CC#N 495474426 SLBRTSQDHPWFBU-UHFFFAOYSA-N 256.262 -0.428 50 20 CBGD CCOC(=O)NNC(=O)[C@H]1CCCCS1(=O)=O 497085470 UMCRQWZQCQQSHZ-SSDOTTSWSA-N 264.303 -0.269 50 20 CBGD O=C(c1cccc(B(O)O)c1)N(CCCO)C1CCC1 584978921 GFDUENYLVNEXTM-UHFFFAOYSA-N 277.129 -0.257 50 20 CBGD CO[C@@H]1CC[C@H](NC(=O)c2ccc(B(O)O)cc2)C1 584980146 RNTZYADPWPQIGC-NWDGAFQWSA-N 263.102 -0.336 50 20 CBGD CN1C[C@H]2CN(C(=O)c3ccc(B(O)O)c(F)c3)C[C@H]2C1 584981941 JQZBAFOCMAYROG-PHIMTYICSA-N 292.119 -0.861 50 20 CBGD CC(C)[C@@H](CO)CNC(=O)c1ccc(B(O)O)cc1 584990121 PCXJTEAWDAMRAZ-LLVKDONJSA-N 265.118 -0.639 50 20 CBGD OB(O)c1ccccc1CNCC1(O)CCSCC1 585016029 FHVJQUFLYPABQR-UHFFFAOYSA-N 281.186 -0.286 50 20 CBGD C[C@@H](CN1CCCC1=O)NCc1ccc(B(O)O)o1 585018196 IDSHKURGJROSPC-VIFPVBQESA-N 266.106 -0.940 50 20 CBGD O=C1NCCCC[C@H]1NCc1cccc(B(O)O)c1 585034655 LCPHMVMHEMFCTN-GFCCVEGCSA-N 262.118 -0.875 50 20 CBGD CS(=O)(=O)CCCCNCc1cccc(B(O)O)c1 585048165 JZRPWACVXNBNLN-UHFFFAOYSA-N 285.174 -0.719 50 20 CBGD Cn1cc(Oc2ccccc2C(=O)NCB(O)O)cn1 585063097 SLHJYCGIYKPWMM-UHFFFAOYSA-N 275.073 -0.046 50 20 CBGD CN(C)c1cc(C(=O)N2CC[C@H](B(O)O)C2)ccn1 585068370 ABMRFKKTVBPWTL-JTQLQIEISA-N 263.106 -0.164 50 20 CBGD CN(C)CC(=O)NN=C1C(=O)Nc2cc(O)ccc21 727647723 DZMZWJFLNMTSSS-UHFFFAOYSA-N 262.269 -0.274 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnc2c(cnn2C)c1 747518620 OMZYJMLPEFECPU-UHFFFAOYSA-N 276.300 -0.709 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(C=O)[nH]1 749983612 PLMLSJFRKRFIGA-UHFFFAOYSA-N 261.241 -0.066 50 20 CBGD CCOCC(=O)NNC(=O)NCCCNC(=O)C(C)C 757662898 IOUSVXDWAWSLQE-UHFFFAOYSA-N 288.348 -0.484 50 20 CBGD CC1CC(C#N)(C(=O)NNC(=O)C(=O)NC(C)C)C1 758155472 NSHIUWPMAYNFOW-UHFFFAOYSA-N 266.301 -0.402 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2ccc(C(N)=O)cc2)n[nH]1 763133928 CIQVRQOOIBLTBD-UHFFFAOYSA-N 287.279 -0.108 50 20 CBGD C=CCNC(=S)NNC(=O)CNC(=O)c1cccnc1 763165080 PQZMINJYYJCVEZ-UHFFFAOYSA-N 293.352 -0.507 50 20 CBGD CCCCNC(=O)NN=Cc1cn(CC(=O)O)nn1 768481491 BCSWDXFQOHKOIT-UHFFFAOYSA-N 268.277 -0.204 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCCCc2cnn[nH]2)cn1 768713157 XQEUBVQDIHIFGP-UHFFFAOYSA-N 291.315 -0.288 50 20 CBGD CCOc1nc(C(=O)NNC(=O)Cc2cc[nH]n2)co1 772870802 YFKHCHXUHUBFFG-UHFFFAOYSA-N 279.256 -0.200 50 20 CBGD O=C(NNC(=O)C1CCC1)c1cccn2c(O)nnc12 780940741 QFPDPGBNHZCSRN-UHFFFAOYSA-N 275.268 -0.004 50 20 CBGD C[C@@H]1COC(=O)C1=NNC(=O)C(=O)Nc1ccccn1 794918402 HPFIPJWHOPNPNY-SSDOTTSWSA-N 276.252 -0.315 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCCN2C2CC2)CC1 807380598 YJNQESVDYLRCGO-LBPRGKRZSA-N 295.387 -0.399 50 20 CBGD COCCN(C)NC(=O)[C@H]1COCCN1CC(F)F 808075354 WAAFMEZITGWEIC-SECBINFHSA-N 281.303 -0.438 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1snnc1C1CC1 813530540 UFOBTHITHKQLTG-UHFFFAOYSA-N 270.314 -0.053 50 20 CBGD O=C(C[C@@H]1CCCC(=O)N1)NNC(=O)NCC(F)(F)F 813558658 ORLBPUFQPFOPKU-LURJTMIESA-N 296.249 -0.062 50 20 CBGD O=C(NNc1nc[nH]n1)[C@@H]1CCCN(C(=O)C2CC2)C1 816633110 OBFSTZNWJTVLEZ-SECBINFHSA-N 278.316 -0.104 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CCOC1CCOCC1 823947553 ZHLFQCVLKDCICU-JTQLQIEISA-N 260.334 -0.084 50 20 CBGD CC(C)(C)n1nnc(CC(=O)NNC(=O)C2CCC2)n1 827216146 LLQXDFREUMXZHY-UHFFFAOYSA-N 280.332 -0.082 50 20 CBGD CC(C)C(=O)NNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 827315736 VCJAXCNHLPXCNX-HTQZYQBOSA-N 272.305 -0.571 50 20 CBGD COc1ccc(NC(=O)NNC(=O)O)cc1-n1cnnn1 832403840 BHUSWQRHROFBHE-UHFFFAOYSA-N 293.243 -0.025 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1ccnc(C(=O)O)c1 833149428 QDHUFAJPQVAOAI-UHFFFAOYSA-N 294.267 -0.534 50 20 CBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNC(=O)NCC1CC1 841385226 UVCHKVFSMSLTOH-IYSWYEEDSA-N 256.262 -0.776 50 20 CBGD CCOc1ncccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862450484 UWKHOEPUPSAQKJ-VIFPVBQESA-N 292.295 -0.480 50 20 CBGD N#CCc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 862457157 BUEMJXQPAYFIOI-LLVKDONJSA-N 286.291 -0.208 50 20 CBGD Cc1cc(=NNC(=O)Cn2nc(C)n(C)c2=O)cc[nH]1 862515349 RMWIEBKEJMFNNV-UHFFFAOYSA-N 276.300 -0.841 50 20 CBGD COc1ccccc1OCC(=O)NNC(=O)C(OC)OC 873772814 WGRVWYMSTWJABJ-UHFFFAOYSA-N 298.295 -0.160 50 20 CBGD Cc1nccc(C(=O)NNC(=O)C2CCOCC2)n1 883062222 URPYGGAFVLCWKR-UHFFFAOYSA-N 264.285 -0.027 50 20 CBGD C#CCSCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 892229972 YEAZNNQPBDPXFX-RKDXNWHRSA-N 256.327 -0.075 50 20 CBGD OC[C@@H](C[C@@H]1CCCO1)NCc1cccc(B(O)O)c1 895749196 PMYKJYGAURDRST-KGLIPLIRSA-N 279.145 -0.614 50 20 CBGD Cc1nc2ccnn2cc1C(=O)NN(C)C[C@H](C)O 910150752 VQYAOKXHOWEQPJ-QMMMGPOBSA-N 263.301 -0.005 50 20 CBGD CC1CCN(CC(=O)NNC(=O)CN2CCCC2=O)CC1 913731800 WUDVFTOTCDTJHH-UHFFFAOYSA-N 296.371 -0.512 50 20 CBGD CS(=O)(=O)CCC(=O)NNC(=O)C1CCCC1 915154198 KLEZAISPQLYRAR-UHFFFAOYSA-N 262.331 -0.241 50 20 CBGD O=C(NNC(=O)c1cnc(C2CC2)[nH]1)C(=O)N1CCCC1 1116259390 YFMRQQCWXYLHSR-UHFFFAOYSA-N 291.311 -0.330 50 20 CBGD O=C(Cc1cnccc1Cl)NNC(=O)[C@H]1CCC(=O)N1 1118942082 BOODEBIEYTVDPC-SECBINFHSA-N 296.714 -0.297 50 20 CBGD CCNC(=O)NNC(=O)c1cnc2nccnc2c1 1254768393 LFIDVFHUGNFRAF-UHFFFAOYSA-N 260.257 -0.011 50 20 CBGD O=C(CCc1ccncn1)NNC(=O)C(=O)N1CCCC1 1255794102 RCOBMOHDUZQLTM-UHFFFAOYSA-N 291.311 -0.821 50 20 CBGD CCC1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)COC1 1261790539 OQZRIDLASWXRDL-MRVPVSSYSA-N 284.316 -0.978 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 1261792897 PMIFZXSXPMUGEC-JGVFFNPUSA-N 256.306 -0.359 50 20 CBGD CC(C)NC(=S)NNC(=O)CCCCNC(N)=O 1317993248 UIFFDPYQKCDCOT-UHFFFAOYSA-N 275.378 -0.271 50 20 CBGD COc1cccc(NNC(=O)CN2C(=O)CNC2=O)n1 1320792526 BCFYYAJTUVGJCB-UHFFFAOYSA-N 279.256 -0.915 50 20 CBGD Cc1nc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)co1 1321287304 NAZBZUMDNNTYDI-ZETCQYMHSA-N 287.297 -0.821 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1cnn2ccccc12 1323139712 FGERWMZXUKCILH-UHFFFAOYSA-N 291.267 -0.662 50 20 CBGD Cc1nccn1CCNC(=O)NNC(=O)c1cn[nH]c1 1329734402 FGNYIYCESACIIY-UHFFFAOYSA-N 277.288 -0.441 50 20 CBGD C/C(Cl)=C\C(=O)NNC(=O)CS(C)(=O)=O 1332261785 JJXDLDAOQSCYQT-HWKANZROSA-N 254.695 -0.679 50 20 CBGD CN(NC(=O)c1ccccc1S(C)(=O)=O)C(N)=O 1341604779 XEDQKAWXOCPJHE-UHFFFAOYSA-N 271.298 -0.255 50 20 CBGD O=C(CCO)NNC(=O)NC1(C(F)(F)F)CCOCC1 1351616165 TVEJHPKYTRHTLT-UHFFFAOYSA-N 299.249 -0.189 50 20 CBGD CC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)[C@@H]1CCN1 1575015079 LPHIBEMZTYJXIK-VHSXEESVSA-N 270.333 -0.954 50 20 CBGD CCc1noc(CCCC(=O)NNC(=O)[C@H]2CCN2)n1 1578336280 IDSFMEKYTWJABT-MRVPVSSYSA-N 281.316 -0.536 50 20 CBGD N#CC1=CCN(C(=O)[C@@]23CNC[C@@H]2CS(=O)(=O)C3)CC1 1580040113 DTDIOGGUKBBDNJ-DGCLKSJQSA-N 295.364 -0.697 50 20 CBGD N#C[C@H]1CNC[C@@H]1NC(=O)NN=c1cc[nH]c2cccnc12 1580043929 SSVVFLDNKFTGFG-CABZTGNLSA-N 297.322 -0.211 50 20 CBGD N[C@@H](Cc1ccncc1)C(=O)NNC(=O)[C@@H]1CCCCO1 1580369386 ZYGANLWUBOFZNT-RYUDHWBXSA-N 292.339 -0.332 50 20 CBGD C[C@@H](COCC(F)(F)F)NC(=O)NNC(=O)C(=O)O 1604201704 AWDWOHXDUQDLKS-BYPYZUCNSA-N 287.194 -0.631 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 1608478070 SFSWKQUALJEYDQ-RZUNNTJFSA-N 253.258 -0.554 50 20 CBGD CN(C)S(=O)(=O)NCC(=O)N1CC=C(C#N)CC1 1645981258 VXULAIZTWNDSSV-UHFFFAOYSA-N 272.330 -0.935 50 20 CBGD C[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847564447 WMEFMXJJDDBSNG-KATARQTJSA-N 290.747 -0.831 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNC(=O)COc1ccc(F)cc1 25257294 GXOIUEAISAVHLQ-ZETCQYMHSA-N 298.274 -0.591 50 20 CBGD CNC(=O)NNC(=O)Cc1ccc(-n2cnnn2)cc1 48950027 DLOKRTDKTOEUQW-UHFFFAOYSA-N 275.272 -0.835 50 20 CBGD CCNC(=O)NNC(=O)CSc1nnnn1C1CC1 49165185 DGCYOLXXWIOFOT-UHFFFAOYSA-N 285.333 -0.550 50 20 CBGD CCNC(=O)NNC(=O)CCCN1C(=O)NC(C)(C)C1=O 139232815 UJHWFOLYRSKKDI-UHFFFAOYSA-N 299.331 -0.553 50 20 CBGD O=C(CO)NNC(=O)c1cnn(-c2ccc(F)cc2)n1 180963473 JLVAYQDZQNNYRA-UHFFFAOYSA-N 279.231 -0.840 50 20 CBGD CCc1c(C(=O)NNC(=O)CO)[nH]c(C)c1C(C)=O 182762434 PPIGVCHFGGWBEJ-UHFFFAOYSA-N 267.285 -0.159 50 20 CBGD O=C(CCN1CCCS1(=O)=O)NNc1ccncc1 272582796 QUIMHFRFVSZOBR-UHFFFAOYSA-N 284.341 -0.050 50 20 CBGD C#CCN1CCC(C(=O)NNC(=O)C(C)(C)O)CC1 276253084 MHVZXELGKHLACK-UHFFFAOYSA-N 267.329 -0.750 50 20 CBGD COC(=O)[C@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1CCCO1 292268783 ZIMVWSMYDWCUFF-CSMHCCOUSA-N 256.258 -0.878 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cc2c(cn1)OCCC2 365625319 FAHPGYPTUPKUOC-UHFFFAOYSA-N 279.296 -0.062 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 367892489 JTIGOCVWCGEUFQ-NSHDSACASA-N 291.307 -0.825 50 20 CBGD CC(C)(C)OC(=O)NC(C)(C)C(=O)NNC(=O)CO 495171033 FGQNGNJLYMKNBL-UHFFFAOYSA-N 275.305 -0.571 50 20 CBGD COCCCN(CCOC)C(=O)c1cccc(B(O)O)c1 584932519 NVSGIYRKMQWODZ-UHFFFAOYSA-N 295.144 -0.509 50 20 CBGD O=C(NCCOC[C@@H]1CCOC1)c1cccc(B(O)O)c1 584943041 ZTJYGQFIVVWMGV-LLVKDONJSA-N 293.128 -0.851 50 20 CBGD O=C(NC[C@H](O)C1CCCC1)c1cc(B(O)O)ccc1F 584960726 UBBUPGRQNJXSEA-ZDUSSCGKSA-N 295.119 -0.214 50 20 CBGD C[C@@H]1[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)CCCN1C 584973065 KSGCKWLCLSKKRU-RNCFNFMXSA-N 294.135 -0.282 50 20 CBGD CN(C)[C@@H]1CCC[C@H]1NC(=O)c1cccc(B(O)O)c1 584973087 ACSKLOBEGDRLGG-CHWSQXEVSA-N 276.145 -0.421 50 20 CBGD C[C@H](CCO)CCNC(=O)c1cccc(B(O)O)c1 584995484 VCTVJZUDYJYJNB-JTQLQIEISA-N 265.118 -0.495 50 20 CBGD Cn1ncc2c1CCCN(C(=O)c1ccc(B(O)O)cc1)C2 584998537 ALWVGROMZPZZIH-UHFFFAOYSA-N 299.139 -0.312 50 20 CBGD O=C(CCNCc1ccc(B(O)O)o1)N1CCCC1 585014011 FZZDWRLADCJOIY-UHFFFAOYSA-N 266.106 -0.939 50 20 CBGD Cc1nnc2n1CCC[C@H]2NCc1cccc(B(O)O)c1 585025770 CBPHAJOLOWDRTH-CYBMUJFWSA-N 286.144 -0.109 50 20 CBGD C[C@@H](C[S@@](C)=O)NCc1ccc(B(O)O)cc1 585034651 LAVGDHRCNHTHLG-HUTHGQBESA-N 255.148 -0.777 50 20 CBGD OCC1(CNCc2ccc(B(O)O)o2)CC2(CCC2)C1 585038404 CWXVCSSIXZRVAY-UHFFFAOYSA-N 279.145 -0.008 50 20 CBGD OB(O)c1ccc(CNCC[C@]2(O)C[C@H]3CC[C@H]2C3)o1 585043622 RECKPHXLDIGELU-MJVIPROJSA-N 279.145 -0.010 50 20 CBGD CCCCNC(=O)NNC(=S)NCC(=O)NC(C)C 727279318 MBNBIZDGRSPQRP-UHFFFAOYSA-N 289.405 -0.011 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1C[C@@H]2CNC[C@@H]2C1 732198420 PZGLHEKMJDOPBX-UTUOFQBUSA-N 282.388 -0.280 50 20 CBGD CNC(=S)NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1 747724938 CBTQBQGQYLRQTJ-UTLUCORTSA-N 288.417 -0.143 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CC(=O)N(C(C)C)C1 750643684 LDTAFWVBQFUNIA-VIFPVBQESA-N 286.332 -0.637 50 20 CBGD CCc1nc(C=NNC(=O)C(N)=O)c2ccccn12 755491708 PBGSHNULAVGPCQ-UHFFFAOYSA-N 259.269 -0.168 50 20 CBGD CNC(=O)Cc1ccc(NC(=O)NNC(=O)COC)cc1 755657376 IVIUSCNCBBUFGX-UHFFFAOYSA-N 294.311 -0.226 50 20 CBGD COCC(=O)NNC(=O)Nc1cccc2c1oc(=O)n2C 757757875 KLTYHNBCQHQMHQ-UHFFFAOYSA-N 294.267 -0.069 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1(C)CCC1 758046682 IPNKAYBLJBRNEP-ZETCQYMHSA-N 277.346 -0.738 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H]1CCN(C)C1=O 773585090 XJFIDJFLEAECEA-ZETCQYMHSA-N 290.414 -0.677 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1(F)CCCC1 776138106 IUJIZXPFJAMCHC-SSDOTTSWSA-N 295.336 -0.646 50 20 CBGD C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)C1CCC1 779516244 CMSMOQJNXXEHHR-OIBJUYFYSA-N 283.328 -0.791 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccc2nnc(O)n2c1 780708104 AVCLUNVEACKIJG-UHFFFAOYSA-N 278.272 -0.259 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21 780948788 GYPPEHMLNXKBCO-GMTAPVOTSA-N 297.355 -0.136 50 20 CBGD COc1ccc(NNC(=O)CN2CCCNC2=O)nc1 781524954 CGRHXQXDUCZOPK-UHFFFAOYSA-N 279.300 -0.051 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CO[C@@H](C)C1 784277855 SJUMKMLKPXJGHP-XHNCKOQMSA-N 272.301 -0.100 50 20 CBGD CCOCC(=O)NNC(=O)NOCCSC 793428517 KGLKWNJGEJOGGN-UHFFFAOYSA-N 251.308 -0.352 50 20 CBGD CCC1(C(=O)NNC(=O)N2CCN(C)CC2)COC1 807378596 GKGWIMIABCARQB-UHFFFAOYSA-N 270.333 -0.599 50 20 CBGD Cc1nc[nH]c1C(=O)NNC(=O)N1CCN(C)CC1 822765004 SWINUJILRYTMJX-UHFFFAOYSA-N 266.305 -0.680 50 20 CBGD CCN(CCO)NC(=O)c1ccc2nnc(C)n2c1 823856202 MUDYRUPDAJKKDI-UHFFFAOYSA-N 263.301 -0.003 50 20 CBGD CNCCNC(=O)NNC(=O)COc1ccc(F)cc1 841936408 NDEAPEKWPKQVOY-UHFFFAOYSA-N 284.291 -0.246 50 20 CBGD CNCC(=O)NNc1ccccc1S(C)(=O)=O 843436613 DGDJHEQCPUJXOR-UHFFFAOYSA-N 257.315 -0.247 50 20 CBGD CNC[C@H](C)NC(=O)NNc1ccc(-n2cccn2)nn1 851682637 YHJRHEFEMXNDEC-VIFPVBQESA-N 290.331 -0.104 50 20 CBGD O=C(/C=C\[C@@H]1CCOC1)NNC(=O)c1cc[nH]n1 855354956 OERNXVAMQFELGK-SLYZXXNYSA-N 250.258 -0.237 50 20 CBGD CCCC[C@@H](NC(N)=O)C(=O)NNC(=O)c1cc[nH]n1 855359661 ZZEHIHSPQXYMGB-SSDOTTSWSA-N 282.304 -0.602 50 20 CBGD CN(CC(=O)NNc1ncc(Cl)cn1)S(C)(=O)=O 857356673 TUIFDGCZZLQENP-UHFFFAOYSA-N 293.736 -0.536 50 20 CBGD C[C@H](NNC(=O)Cn1ncn(C)c1=O)C(F)(F)F 862315274 BHNSLUDZDXFNDE-YFKPBYRVSA-N 267.211 -0.847 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc(O)c(F)c2)N1 862462643 ZHKOAUBSSLBWQR-MRVPVSSYSA-N 281.243 -0.429 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1cc(C)nn1C 863186192 QYJNXFTZSYJGMJ-UHFFFAOYSA-N 272.330 -0.387 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 863459713 YFSVATLUKOOEHQ-XHNCKOQMSA-N 274.342 -0.385 50 20 CBGD C[C@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1CC(=O)NNC(=O)C1CC1 878751740 BXBYCNIERABPGX-BBBLOLIVSA-N 296.371 -0.517 50 20 CBGD Cc1n[nH]c(C)c1C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920384710 OMWRTVAAWDXYGR-SECBINFHSA-N 299.356 -0.153 50 20 CBGD O=C(/C=C/c1nccs1)NNC(=O)[C@@H]1CCC(=O)N1 1121186509 OKDJTYSAGQXFRR-SDLBARTOSA-N 280.309 -0.418 50 20 CBGD Cc1cccc(NNC(=O)CN2CCC(=O)NC2=O)n1 1261831202 VLAYGFJTMVCGBT-UHFFFAOYSA-N 277.284 -0.225 50 20 CBGD Cc1ccc(C(=O)NNC(=O)NCc2ncn(C)n2)o1 1319810474 LBDSVEIKCYBCPY-UHFFFAOYSA-N 278.272 -0.139 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1cc[n+]([O-])cc1 1321306867 LXRULDTYIHVHJX-UHFFFAOYSA-N 273.252 -0.397 50 20 CBGD CO[C@@H]1CC[C@H](NC(=O)NNC(=O)c2cn[nH]c2)C1 1328714978 BDKYUHAJDVAELA-DTWKUNHWSA-N 267.289 -0.079 50 20 CBGD CCOc1cc(C(=O)NNc2cnnn2C)[nH]n1 1331883722 WICJDOMSNJFSHY-UHFFFAOYSA-N 251.250 -0.306 50 20 CBGD Cc1onc(CO)c1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1346482153 VKJUBAHVDKMUCS-POYBYMJQSA-N 283.284 -0.339 50 20 CBGD Cc1ccc(C(=O)NNC(=O)NCC(=O)NCC#N)o1 1346657313 GURUIPUDFKZYDY-UHFFFAOYSA-N 279.256 -0.828 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1ncccn1)[C@H]1CCC(=O)N1 1348353859 JHTFEIKMHBCGCZ-HTQZYQBOSA-N 277.284 -0.848 50 20 CBGD O=C(C[C@@H]1CC(=O)N1)NNC(=O)OCC(F)(F)F 1351094309 CKTWHVXQFWITNO-BYPYZUCNSA-N 269.179 -0.415 50 20 CBGD C=CCNC(=S)NNC(=O)c1cnn(CCO)c1 1518761068 LOFLHGKLJQYHDZ-UHFFFAOYSA-N 269.330 -0.830 50 20 CBGD C[C@@H](C(=O)NNC(=O)[C@H]1CCN1)N1CCCCCC1 1575068853 HRYYBXVVXHSQIV-WDEREUQCSA-N 268.361 -0.240 50 20 CBGD CN(C)C1(CNC(=O)NNC(=O)C2CCNCC2)CC1 1578409261 OTROATXLWKKIQV-UHFFFAOYSA-N 283.376 -0.589 50 20 CBGD COc1nccnc1NNC(=O)CSCC(=O)O 1594159557 QPFUEJQGQMMVAB-UHFFFAOYSA-N 272.286 -0.254 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C12CC(C(=O)O)(C1)C2 1594712214 BGHOTMFVOJGGLS-IASTZPEPSA-N 298.295 -0.270 50 20 CBGD O=C(NNC(=O)[C@H](C(=O)O)C1CC1)c1cccnn1 1594779613 VCYJAPKYIXKGCL-MRVPVSSYSA-N 264.241 -0.652 50 20 CBGD Cc1nnc(NNC(=O)Nc2ccn(CC(=O)O)n2)n1C 1600798578 NCGXRZKXNZDZCT-UHFFFAOYSA-N 294.275 -0.447 50 20 CBGD CC(C)[C@H](CNCc1ccccc1B(O)O)C(=O)O 1602992026 ZTVJXEHFNZZEIF-NSHDSACASA-N 265.118 -0.187 50 20 CBGD CC(C)(CNC(=O)NNC(=O)[C@H]1CCCCO1)C(=O)O 1603632453 QBCGPBVSMPHVST-MRVPVSSYSA-N 287.316 -0.003 50 20 CBGD O=C(O)Cn1cccc(C(=O)NNC(=O)NC2CC2)c1=O 1606355388 RKOQIXSTRZGWGY-UHFFFAOYSA-N 294.267 -0.961 50 20 CBGD COc1cc(NC(=O)NNC(=O)C(=O)O)cc(OC)c1 1607178686 XROLAUDKXKIIJK-UHFFFAOYSA-N 283.240 -0.059 50 20 CBGD COC[C@H](CO)NS(=O)(=O)CCCCCl 234804490 UFJXRIHZSFBESY-QMMMGPOBSA-N 259.755 -0.068 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCN(CCOC)C(=O)C1 271132079 ABRMSEWEKFIGRC-ZHACJKMWSA-N 281.312 -0.252 50 20 CBGD COCCN(C)NC(=O)c1ccnc(-n2cncn2)c1 288466893 KHDSGUVZRBLBQA-UHFFFAOYSA-N 276.300 -0.115 50 20 CBGD COC(=O)NNC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O 376955723 OXFDYYXNBNCVDH-ZETCQYMHSA-N 298.299 -0.373 50 20 CBGD Cc1c(/C=C(/C#N)C(=O)NOCC(N)=O)cc(C#N)n1C 490814005 SWCYOWVBXJNWDX-KMKOMSMNSA-N 287.279 -0.355 50 20 CBGD COC(=O)NCCC(=O)NNC(=O)c1ccccn1 490966884 ODLVJODVJLPZRG-UHFFFAOYSA-N 266.257 -0.411 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCN(C)C[C@H](C(=O)OC)C1 491172978 AHYDPOISVIZJET-IIANPFDCSA-N 295.339 -0.006 50 20 CBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1cc(Cl)nc(N)n1 495897563 RXPHZSGDQQLSBG-DZSWIPIPSA-N 286.679 -0.348 50 20 CBGD CN(C)C(C)(C)CNC(=O)c1cccc(B(O)O)c1 584924363 HSLSIEXIBQJQJU-UHFFFAOYSA-N 264.134 -0.564 50 20 CBGD CC(C)(O)CNC(=O)c1cc(B(O)O)ccc1F 584954233 KDQZDIJSXKRXQQ-UHFFFAOYSA-N 255.054 -0.994 50 20 CBGD C[C@@H]1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)O1 585000207 ZWQNBUFHFQXATR-BXKDBHETSA-N 263.102 -0.336 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@@H]2[C@@H](CF)[C@@H]2C1 585001615 ZBVNLAATWHOAIX-RTCCRHLQSA-N 281.067 -0.207 50 20 CBGD CCN1CCC(NCc2ccccc2B(O)O)CC1 585014298 MYSJCWPOHMJTDZ-UHFFFAOYSA-N 262.162 -0.060 50 20 CBGD CN1CCC(CNCc2ccccc2B(O)O)CC1 585022453 OFNRCYMNOVFGRR-UHFFFAOYSA-N 262.162 -0.202 50 20 CBGD CS(=O)(=O)CC1(CNCc2cccc(B(O)O)c2)CC1 585026571 PNGDFVCAQNZYMD-UHFFFAOYSA-N 297.185 -0.719 50 20 CBGD CC[C@@H](NCc1ccc(B(O)O)o1)[C@H](O)C(F)(F)F 585035663 WMNYVSHWYUBNCM-APPZFPTMSA-N 281.039 -0.249 50 20 CBGD CC1(C)CCC[C@@]1(O)CNCc1ccc(B(O)O)o1 585042923 HJVKJZWTUGJPIB-CYBMUJFWSA-N 267.134 -0.010 50 20 CBGD CCOCCc1nc(-c2cccc(B(O)O)c2)no1 585051277 AJFRIVZJQCJFCO-UHFFFAOYSA-N 262.074 -0.005 50 20 CBGD CC(C)(C)C(=O)NNC(=O)N1CCS(=O)(=O)CC1 731499336 NRUKLYRRCIVODU-UHFFFAOYSA-N 277.346 -0.496 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cncs2)cn1 735446194 CPFXWYAWLSCRNP-UHFFFAOYSA-N 251.271 -0.049 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCCNC(=O)C1 744393920 WRYQQXSQYVBIIC-UHFFFAOYSA-N 270.333 -0.998 50 20 CBGD O=C(CCCn1cccn1)NNC(=O)C(=O)N1CCCC1 748841651 PCAJNSWQIUBJFO-UHFFFAOYSA-N 293.327 -0.567 50 20 CBGD O=C(CO)NNC(=O)c1cccn1Cc1ccncc1 753442869 QDRMRVKJYQHRFP-UHFFFAOYSA-N 274.280 -0.315 50 20 CBGD COc1ccc(C)cc1CC(=O)NNC(=O)CO 753445070 FNCUTGOKXLOYHG-UHFFFAOYSA-N 252.270 -0.314 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](OC)[C@H](OC)C1 753805376 GFNPZFDZEGMRMW-LPEHRKFASA-N 273.333 -0.722 50 20 CBGD CS[C@H](C)CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 756871729 VCZQPMDFQJLXIH-HTQZYQBOSA-N 294.398 -0.290 50 20 CBGD CC(C)(C(N)=O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 767396879 XXDLKFWVWQNHIX-UHFFFAOYSA-N 294.267 -0.133 50 20 CBGD C[C@H]1CCCN(C(=O)C(=O)NNC(=O)N(C)C)C1 767781275 WJUIRIBQQBITQH-QMMMGPOBSA-N 256.306 -0.453 50 20 CBGD O=C(NCC[C@H]1CCCCO1)NNC(=O)C(=O)NC1CC1 780907409 MBOGDKSARRNPQV-SNVBAGLBSA-N 298.343 -0.445 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCCC(=O)NC 781233229 YPYNMLDIEPRELU-MRVPVSSYSA-N 287.316 -0.608 50 20 CBGD Cn1nccc1C(=O)NNC(=O)N=c1cc[nH]cc1 802031591 IQVYGMPXNVBHEQ-UHFFFAOYSA-N 260.257 -0.297 50 20 CBGD COC(=O)c1cc(C=NNC(=O)C(C)(C)O)on1 814908923 HKPPSDHVIOHMFP-UHFFFAOYSA-N 255.230 -0.318 50 20 CBGD Cn1nncc1NNC(=O)CNC(=O)c1ccccc1 816769330 CNUMDJSKKWUDEU-UHFFFAOYSA-N 274.284 -0.312 50 20 CBGD Cc1cc(C)n(CC(=O)NN(C)[C@H](C)CO)c(=O)n1 823934022 ABMWPNISEDXLFS-SNVBAGLBSA-N 268.317 -0.796 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cnc(N(C)C)cn1 823940160 TWMBYOXKUMNULQ-QMMMGPOBSA-N 253.306 -0.500 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CCOC[C@H]1C 827273279 GPLUHTOSMJZYBR-OPRDCNLKSA-N 271.317 -0.127 50 20 CBGD CCN1C[C@H](NC(=O)NNc2cccnn2)CC1=O 836607277 HRVKQVMTPINQGG-MRVPVSSYSA-N 264.289 -0.277 50 20 CBGD COC(=O)[C@]1(C)CCCN(CC(=O)NNC(=O)C2CC2)C1 839666787 OBHGLNRSEANEAJ-CQSZACIVSA-N 297.355 -0.181 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H]1NC(=O)O[C@@H]1C 841414834 FWVIRTTWKAISMX-PHDIDXHHSA-N 292.386 -0.658 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H](C)N1C(=O)CCC1=O 843641062 BBSZXFRXGNBUPO-VGMNWLOBSA-N 297.311 -0.904 50 20 CBGD CC(=O)OC(C)(C)C(=O)NNC(=O)c1cc[nH]n1 855355969 DDKVKXOUCUPFHE-UHFFFAOYSA-N 254.246 -0.488 50 20 CBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)NCC1CC1 858780951 AHQGJXCSYLHJMB-VIFPVBQESA-N 256.306 -0.503 50 20 CBGD NC(=O)[C@@H]1CCCN1CCCNS(=O)(=O)CCl 859282546 LECJFXXBBZDCIS-QMMMGPOBSA-N 283.781 -0.558 50 20 CBGD CCc1ncc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 862452685 GXGLZSUOZQSIEL-LURJTMIESA-N 282.325 -0.255 50 20 CBGD O=C(Cc1cccc(F)c1F)NNC(=O)[C@@H]1CCC(=O)N1 862455312 FGOYOWJKYXSLSN-VIFPVBQESA-N 297.261 -0.067 50 20 CBGD Cc1cncc(CCC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862460432 DVTYPRYDWOXCGK-LLVKDONJSA-N 290.323 -0.251 50 20 CBGD CN(CC(=O)NNC(=O)c1ncccn1)C1CCC1 863926071 PAKWAWYYOOXHIC-UHFFFAOYSA-N 263.301 -0.278 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CCCCN(C)C1=O 873766099 XSWPXGRJIKQZKZ-SECBINFHSA-N 284.385 -0.074 50 20 CBGD C=CCNC(=S)NNC(=O)CN(CC)C(=O)C=C 899939310 LPEPJLSYUSMEKH-UHFFFAOYSA-N 270.358 -0.298 50 20 CBGD O=C(Cn1ccccc1=O)NNC(=O)c1ccncc1 916551487 ONMAHSHKWHRZAR-UHFFFAOYSA-N 272.264 -0.296 50 20 CBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)C(C)(C)C 917182730 YGAWWTNETZSRCA-UHFFFAOYSA-N 286.376 -0.364 50 20 CBGD Cc1ccccc1CC(=O)NNC(=O)CN1CC[C@H]1CO 934017633 QNPKFXTUDWUCLX-ZDUSSCGKSA-N 291.351 -0.248 50 20 CBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cc(C)cc(F)c1 1116711927 IKWHQOLZWPJFNU-UHFFFAOYSA-N 297.242 -0.607 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCSC2)N1 1118970045 MAMVKRWAMCJEGU-RQJHMYQMSA-N 257.315 -0.835 50 20 CBGD O=C(NN=Cc1cncs1)N[C@H]1CCS(=O)(=O)C1 1253154966 FBVWKLIPJACGPK-ZETCQYMHSA-N 288.354 -0.037 50 20 CBGD NC(=O)NC1(C(=O)NNC(=O)NCc2ccco2)CC1 1253934653 GIBSHYLBIXPMFW-UHFFFAOYSA-N 281.272 -0.689 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 1261910830 KMHVPLRFJMSTLK-INTQDDNPSA-N 252.318 -0.133 50 20 CBGD Cc1nnc(NNC(=O)COC[C@H]2CCCO2)nc1O 1318166790 VLPWWSJYQITYHQ-MRVPVSSYSA-N 283.288 -0.476 50 20 CBGD COc1nccnc1NNC(=O)c1ccc(=O)n(C)n1 1320364548 OSFGBCIJAJFOFI-UHFFFAOYSA-N 276.256 -0.664 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@]1(F)CCOC1 1323035244 QJUWMDXPFXDTKC-LLVKDONJSA-N 255.249 -0.085 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1cncc2ccccc12 1323943992 QNUZDWWWXRQBKJ-UHFFFAOYSA-N 288.263 -0.687 50 20 CBGD CC(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)nc1 1324065177 XMQCOPSBQQGLRS-UHFFFAOYSA-N 286.313 -0.887 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@]2(F)CCOC2)n1 1324635512 SBFWFWHXFFBEHH-GFCCVEGCSA-N 284.291 -0.224 50 20 CBGD Cc1nn(C)cc1CCC(=O)NNc1cnnn1C 1329572576 CWNYIAYKZGJBBK-UHFFFAOYSA-N 263.305 -0.067 50 20 CBGD CC[C@@]1(C(=O)NNC(=S)NC(C)C)CCNC1=O 1335450498 ZNDWTXXQGBYUHO-LLVKDONJSA-N 272.374 -0.194 50 20 CBGD C[C@H](CO)N(C)NC(=O)CCCN1C(=O)CN(C)C1=O 1352228236 BYFUBQQCSXQNLL-SECBINFHSA-N 286.332 -0.996 50 20 CBGD Cn1cncc1C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1 1549315261 BAGQNQVLNQLIKI-JQWIXIFHSA-N 277.328 -0.267 50 20 CBGD CN(NC(=O)C[C@@H](N)Cc1ccccc1)C(N)=O 1578506845 ZWQCLIMMKDWERM-JTQLQIEISA-N 250.302 -0.012 50 20 CBGD C[C@](C#N)(CC(=O)O)C(=O)NNC(=O)[C@H]1CCCCO1 1588541864 NSZUDKCCBAICOC-PRHODGIISA-N 283.284 -0.293 50 20 CBGD CC(C)(C)OCCCNC(=O)NNC(=O)C(=O)O 1590387818 DTILMMBCVMZRSK-UHFFFAOYSA-N 261.278 -0.393 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCC2(CC1)C[C@@H]2C(=O)O 1590940163 RKSVBTOSCBMEMU-SNVBAGLBSA-N 297.355 -0.024 50 20 CBGD O=C(COC(F)F)NNc1ccc(-c2nn[nH]n2)cn1 1592886281 ZYYWDSPFIKYIJW-UHFFFAOYSA-N 285.214 -0.056 50 20 CBGD O=C(Nc1c[nH]nc1C(=O)O)c1cccc(B(O)O)c1 1594799298 TVBZKCDYVFUPSJ-UHFFFAOYSA-N 275.029 -0.960 50 20 CBGD COC(=O)C(=O)NN=C(C)c1cc(C(=O)O)co1 1598683895 DJLPEDSIADIZDW-UHFFFAOYSA-N 254.198 -0.009 50 20 CBGD O=C(O)C1=NO[C@H](C(=O)NNc2ccncn2)C1 1605971417 ZFASSRITAPDEDN-LURJTMIESA-N 251.202 -0.851 50 20 CBGD NC(=O)C(=O)NNC(=O)c1ccc(Br)cc1 5944682 YDOXIXHAUCMWIF-UHFFFAOYSA-N 286.085 -0.305 50 20 CBGD C#CCNC(=O)NNc1ccc(-n2cccn2)nn1 79263881 KTNXCORIEUGQDE-UHFFFAOYSA-N 257.257 -0.078 50 20 CBGD Cc1ccccc1CC(=O)NNC(=O)CN1CC[C@H](O)C1 151982387 YAUJQFFLVAVIHR-ZDUSSCGKSA-N 291.351 -0.248 50 20 CBGD O=C(Cn1nc2ccccn2c1=O)NNC(=O)C1CCC1 171875087 SMARIBITRLURET-UHFFFAOYSA-N 289.295 -0.557 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cnc(S)[nH]2)n1 186805380 FYSWESAOMPLLGY-UHFFFAOYSA-N 294.340 -0.027 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2CSCN2)n1 269071951 UJKMMMGQCFBYOQ-SSDOTTSWSA-N 269.330 -0.101 50 20 CBGD CC(C)(C)[C@@H](NC(N)=O)C(=O)NNC(=O)c1ccc[nH]1 282787290 WGLXJLJVZOEGFJ-QMMMGPOBSA-N 281.316 -0.141 50 20 CBGD CC(F)(F)C(=O)NNC(=O)CNC(=O)c1ccco1 292973106 GSCWWIKVUPGYQD-UHFFFAOYSA-N 275.211 -0.188 50 20 CBGD C#CCN(C)CCCNC(=O)NNC(=O)[C@H]1CCCCO1 297060093 XZIDVKAPGUBYPJ-GFCCVEGCSA-N 296.371 -0.159 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2COCCO2)c(O)c1 298984997 MPDFTNDDTMPENX-LLVKDONJSA-N 280.280 -0.123 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCCc2nn(C)cc21 369185511 VUSGZMSWMDYJQQ-SECBINFHSA-N 279.344 -0.451 50 20 CBGD CCOC(=O)NCCC(=O)NNC(=O)N=c1cc[nH]cc1 495655964 ILBKXKJSUFKDHF-UHFFFAOYSA-N 295.299 -0.208 50 20 CBGD C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)NNC(=O)CO 495902724 CSFHOZNFRSKRRN-YUMQZZPRSA-N 289.332 -0.325 50 20 CBGD C[C@H]1COCCN1C(=O)c1ccc(B(O)O)c(F)c1 584930714 BQIVCJCDXADNES-QMMMGPOBSA-N 267.065 -0.634 50 20 CBGD CC(=O)N1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H](C)C1 584959528 IBXIQAVSPHMDAI-JTQLQIEISA-N 290.128 -0.941 50 20 CBGD CN1CCN(C(=O)c2cc(B(O)O)ccc2F)C(C)(C)C1 584968789 DYKLQWREMWNTGT-UHFFFAOYSA-N 294.135 -0.328 50 20 CBGD CC1(C)[C@@H](O)C[C@@H]1NC(=O)c1cc(B(O)O)ccc1F 584973035 CONRQEQBOWDDNR-QWRGUYRKSA-N 281.092 -0.605 50 20 CBGD CN(C(=O)c1ccc(B(O)O)cc1)[C@@H]1CCCOC1 584989092 XCHQDJZELXDIHR-GFCCVEGCSA-N 263.102 -0.383 50 20 CBGD COCCN1CC[C@@H](CNCc2cccc(B(O)O)c2)C1 585021402 UXFJYEPIIXUZKL-AWEZNQCLSA-N 292.188 -0.576 50 20 CBGD CCO[C@@H]1C[C@@H](NCc2ccc(B(O)O)cc2F)[C@@H]1OC 585034609 KLFGECIREBVRGT-MCIONIFRSA-N 297.135 -0.213 50 20 CBGD O=C(Cc1c[nH]c2ccc(F)cc12)NCB(O)O 585061168 MFQRTEWTQBEUCM-UHFFFAOYSA-N 250.038 -0.022 50 20 CBGD COc1cccc(C(=O)NNC(=O)C2(C(N)=O)CC2)c1O 732276467 LCNYCGJEHUXSMK-UHFFFAOYSA-N 293.279 -0.573 50 20 CBGD CCCCNC(=O)NNC(=O)C(C)(C)S(C)(=O)=O 733139696 PHDFRRMIKNLYTO-UHFFFAOYSA-N 279.362 -0.060 50 20 CBGD COC(=O)CCN(CC(=O)NNC(=O)C1CC1)C(C)C 733995512 BREFZDNIUVQUCD-UHFFFAOYSA-N 285.344 -0.183 50 20 CBGD O=C(O)CSCC(=O)NNC(=O)c1ccc[nH]1 740485470 QWETXZAUMQFFEW-UHFFFAOYSA-N 257.271 -0.407 50 20 CBGD Cc1cc(OCC(=O)NNC(=O)c2ncccn2)no1 743288646 NFRQXXSQEFQMTM-UHFFFAOYSA-N 277.240 -0.387 50 20 CBGD CCC(=O)N1CC[C@@H](C(=O)NNC(=O)c2c[nH]nc2C)C1 746166942 JHFNUTGMZWUYBP-SECBINFHSA-N 293.327 -0.262 50 20 CBGD COc1cc(C)nc(NNC(=O)C2(C(N)=O)CC2)n1 746626331 ZGWRCSBOCKMXLL-UHFFFAOYSA-N 265.273 -0.498 50 20 CBGD CC(CN1C(=O)CCC1=O)=NNC(=O)c1cnn(C)c1 754945008 PROMXXIXOHBBRW-UHFFFAOYSA-N 277.284 -0.325 50 20 CBGD COCCOc1cccc(NC(=O)NNC(=O)CO)c1 756008818 DIJMFTJHOOFCAS-UHFFFAOYSA-N 283.284 -0.143 50 20 CBGD C#C[C@@H](NCC(=O)NNC(=O)C(C)(C)C)[C@@H]1CCCO1 775799057 MSTLTWWDHDVDMS-MNOVXSKESA-N 281.356 -0.050 50 20 CBGD CCCN1CCCN(CC(=O)NNC(=O)C2CC2)CC1=O 788280171 WNIWSCYCJQNQBR-UHFFFAOYSA-N 296.371 -0.512 50 20 CBGD CC(C[C@H]1CCC(=O)N1)=NNC(=O)N1CCN(C)CC1 811648549 MSYMOFQSEMGGSB-LLVKDONJSA-N 281.360 -0.012 50 20 CBGD COC[C@H](C)[C@@H](C)C(=O)NNC(=O)N1CCOCC1 812536360 ZGFAKWCGPKEOOM-VHSXEESVSA-N 273.333 -0.022 50 20 CBGD COC(=O)CNC(=O)NN=C(C)c1ccc(N)nc1 814900754 GVXRUMCMZVVTLY-UHFFFAOYSA-N 265.273 -0.140 50 20 CBGD COc1cnc(C(=O)NNC(=O)N=c2cc[nH]cc2)nc1 816596145 QKFFICJDISIWDK-UHFFFAOYSA-N 288.267 -0.231 50 20 CBGD O=C(O)CCNC(=O)NNC(=O)[C@H]1Cc2ccccc2O1 819492460 JTPFFOFHHPHIOV-SNVBAGLBSA-N 293.279 -0.205 50 20 CBGD CCN(CCO)NC(=O)c1nc2ncccn2n1 823893374 HFGVGTUKFAPSLN-UHFFFAOYSA-N 250.262 -0.917 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccc(-n2cnnn2)cc1 823987017 CRWPVBWVCYTTOG-SECBINFHSA-N 276.300 -0.380 50 20 CBGD C[C@@H]1CCN(S(=O)(=O)NNC(=O)[C@H]2CCCCO2)C1 830036979 HTEWAOZDFMAWSJ-NXEZZACHSA-N 291.373 -0.237 50 20 CBGD Cc1n[nH]cc1S(=O)(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 842591394 COYDFVUWLDGBSA-HTQZYQBOSA-N 288.329 -0.547 50 20 CBGD NC[C@H]1CCCCN1CC(=O)NNC(=O)C1CC1 843348059 RTXJFTUOJHRSSV-SNVBAGLBSA-N 254.334 -0.643 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)N[C@H]2CCNC2)cc1 851672716 SPYFZEIPCKIGHZ-NSHDSACASA-N 273.296 -0.136 50 20 CBGD O=C(C[C@H]1CCCC(=O)N1)NNC(=O)c1cc[nH]n1 855355706 FHYPXMLZIPLYID-SSDOTTSWSA-N 265.273 -0.771 50 20 CBGD CCO[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CC1 862463324 AQAKTKMMAKSQSL-PSASIEDQSA-N 269.301 -0.773 50 20 CBGD C[C@H]1C[C@H](C(=O)NNC(=O)c2cn[nH]c2)CCO1 862470274 CTOJVOBZLDZFIS-JGVFFNPUSA-N 252.274 -0.014 50 20 CBGD Cc1csc(C(=O)NNC(=O)CS(C)(=O)=O)c1 862476910 DEVFDICRFSCONP-UHFFFAOYSA-N 276.339 -0.138 50 20 CBGD C#C[C@H](NC(=O)c1cccc(B(O)O)c1)[C@@H]1CCCO1 863878325 CXAJMUWGQRFKLN-STQMWFEESA-N 273.097 -0.723 50 20 CBGD O=S(=O)(CCNCc1ccccc1B(O)O)C1CC1 863889400 BAZLWWRGCRZRGV-UHFFFAOYSA-N 283.158 -0.967 50 20 CBGD OB(O)c1cccc(CN[C@@H]2CCN(CC(F)F)C2)c1 863890006 LZYCCXMJDBAHBZ-GFCCVEGCSA-N 284.115 -0.205 50 20 CBGD O=C1CN(C(=O)NNC(=O)C2CCCC2)CCCN1 872986469 OMHCQRQDRYLYPA-UHFFFAOYSA-N 268.317 -0.261 50 20 CBGD COc1ccnc(NNC(=O)/C=C2\SCC(=O)N2C)n1 873984110 VLYXUFADDVIQCS-YHYXMXQVSA-N 295.324 -0.025 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)n1cccc1 1116413644 DLUROHQVHPDLQV-ZJUUUORDSA-N 299.352 -0.369 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccn(CC)n1 1118424747 MLVSYJYXMBWNRT-UHFFFAOYSA-N 282.304 -0.466 50 20 CBGD C[C@H](NNC(=O)Cn1cc([C@@H](C)O)nn1)C(F)(F)F 1118944817 UCCSERMXRXSRBX-RITPCOANSA-N 281.238 -0.097 50 20 CBGD COC(=O)NNC(=O)c1ccc(OCC(N)=O)c(OC)c1 1317740965 CMGOTCOQDAEPQD-UHFFFAOYSA-N 297.267 -0.440 50 20 CBGD Cc1n[nH]c(C)c1C=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1317852047 FLQJYNRFAZFZQQ-SECBINFHSA-N 284.341 -0.089 50 20 CBGD O=C(CCO)NN=Cc1cn(Cc2cccnc2)nn1 1320145599 OLULZQBBTAUPTR-UHFFFAOYSA-N 274.284 -0.446 50 20 CBGD O=C(Cn1[nH]cc2c(=O)ncnc1-2)NNC(=O)C1CCC1 1321718681 OSRNIDTVQHBADV-UHFFFAOYSA-N 290.283 -0.981 50 20 CBGD O=C1C[C@@H](C(=O)NNc2ncncc2F)CCN1 1325040972 AAQPCPYXBZHEHX-LURJTMIESA-N 253.237 -0.415 50 20 CBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)CO1 1328798634 FTBASLSUYLGDCR-POYBYMJQSA-N 253.262 -0.469 50 20 CBGD CN(C)CCn1nccc1C(=O)NN(C)C(N)=O 1331928681 IBSYNOGPOZJHFC-UHFFFAOYSA-N 254.294 -0.900 50 20 CBGD C[C@]1(C(=O)NCCS(N)(=O)=O)C[C@H]1Br 1337012043 OYZPBLKPOQFPHC-VDTYLAMSSA-N 285.163 -0.435 50 20 CBGD C[C@@H](O)CN(C)NC(=O)Cn1c(=O)oc2ccccc21 1339541128 XWDKBEMMQBLGBX-SECBINFHSA-N 279.296 -0.062 50 20 CBGD NCCC(=O)NNC(=O)C1([C@@H]2CCCCO2)CCOCC1 1580281509 BYUSSHRTCPRSLN-NSHDSACASA-N 299.371 -0.152 50 20 CBGD NNC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl 1580358623 NFODFAOFOCUJOI-QMMMGPOBSA-N 284.703 -0.696 50 20 CBGD N[C@@H](CC(=O)NNC(=O)CO)Cc1ccccc1 1580365112 JDURUQMQKNSBEH-SNVBAGLBSA-N 251.286 -0.914 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(C(=O)O)CC1 1589418413 ZGIGHIQAUFNXAC-NKWVEPMBSA-N 256.258 -0.576 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1ccc(O)nn1 1593163331 PNEGSBPUXYKBRW-UHFFFAOYSA-N 299.254 -0.486 50 20 CBGD CC1(C)CO[C@H](CCNC(=O)NNC(=O)C(=O)O)C1 1593954187 HIEOOPISDMBNAS-SSDOTTSWSA-N 273.289 -0.393 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)NCC2CC2)cn1 49427668 TUSPJEWPHBMXDV-UHFFFAOYSA-N 277.284 -0.466 50 20 CBGD Cn1c(=O)oc2c(C(=O)NNC(=O)C(C)(C)O)cccc21 276230096 JRQNTOAFPOKKJJ-UHFFFAOYSA-N 293.279 -0.337 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 276268627 OGTWYSAEWGRADM-UHFFFAOYSA-N 266.253 -0.053 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc2[nH]nnc2c1 277869166 CQKZAMGTFDGLFC-UHFFFAOYSA-N 263.257 -0.510 50 20 CBGD CC(C)(O)CC(=O)NNc1nccc(N2CCOCC2)n1 280683056 VQCARIRRNVCRBZ-UHFFFAOYSA-N 295.343 -0.083 50 20 CBGD COCCNC(=O)NNc1ccc(-n2ccnc2)nn1 285133693 QRGDWYNHMPNLBN-UHFFFAOYSA-N 277.288 -0.065 50 20 CBGD COC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)N1CCOCC1 285227846 QHUKYAMGHHFCHC-DTWKUNHWSA-N 285.300 -0.741 50 20 CBGD O=C(CC1CC1)NNC(=O)Cn1cc([N+](=O)[O-])cn1 294215960 QHNCBUJLKKIZOL-UHFFFAOYSA-N 267.245 -0.261 50 20 CBGD CC(C)N1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584928330 PFUSSGYIPCOEEO-UHFFFAOYSA-N 294.135 -0.328 50 20 CBGD N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584956592 DKMCGNXJVXDSJL-JOYOIKCWSA-N 276.076 -0.072 50 20 CBGD CC(C)(O)C(C)(C)NC(=O)c1cc(B(O)O)ccc1F 584969493 MQIGXADCNXAYAC-UHFFFAOYSA-N 283.108 -0.215 50 20 CBGD C[C@H](O)[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584972543 ZVHOJHFMXXUNFO-GXSJLCMTSA-N 263.102 -0.791 50 20 CBGD CN1CCC[C@@H](CCNC(=O)c2cccc(B(O)O)c2)C1 584999584 XAKISGBBOKRLBW-LBPRGKRZSA-N 290.172 -0.172 50 20 CBGD CC[C@H](NC(=O)c1cccc(B(O)O)c1)[C@@H](O)C(C)C 585002402 UGCDMAQHXCWWFQ-STQMWFEESA-N 279.145 -0.108 50 20 CBGD Cc1cnn(CCCNCc2ccc(B(O)O)o2)c1 585016771 YWWISFTVIICCAH-UHFFFAOYSA-N 263.106 -0.356 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCn3ccnc32)c(F)c1 585043903 VKPXZTURXYFFRK-LBPRGKRZSA-N 275.092 -0.063 50 20 CBGD CC[C@H](NCc1ccc(B(O)O)cc1F)C(=O)NC 585044436 ILKWASDCXWLCIK-NSHDSACASA-N 268.097 -0.880 50 20 CBGD Cc1cccc(S(=O)(=O)NCB(O)O)c1C#N 585056502 WMYXBMYGXXPQGN-UHFFFAOYSA-N 254.076 -0.843 50 20 CBGD COCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 736965932 IWOITBIEKQNKAH-UHFFFAOYSA-N 276.256 -0.726 50 20 CBGD O=C(O)CCCNC(=O)NNC(=O)Cc1cccnc1 738576593 JFRXUAPSOLGIMJ-UHFFFAOYSA-N 280.284 -0.181 50 20 CBGD COc1ccnc(NNC(=O)C[C@@H]2SC(=N)NC2=O)n1 742528780 BRWIOYWBTYITKJ-YFKPBYRVSA-N 296.312 -0.515 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H]1CCc2nnc(C)n2C1 750728837 ZNQJWNUMDUIPKH-SECBINFHSA-N 280.332 -0.111 50 20 CBGD O=C(CO)NNC(=O)c1cnc(-c2ccccc2)[nH]1 753439883 UOPYKIKFILHDNT-UHFFFAOYSA-N 260.253 -0.170 50 20 CBGD C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NNC(=O)CO 753442915 QPHXITGNMHJXKP-SECBINFHSA-N 289.291 -0.359 50 20 CBGD O=C(CO)NNC(=O)c1cc(O)nc2ccc(F)cc12 753445593 PQAIOXGWVGOCCZ-UHFFFAOYSA-N 279.227 -0.167 50 20 CBGD CC(=O)NC1(C(=O)NNC(=O)C(C)(C)O)CCCCC1 768262546 XPJPDHBWDDTYHI-UHFFFAOYSA-N 285.344 -0.256 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)c2cccn2C)C1=O 771929069 ILVXGBOFCCLCTK-MRVPVSSYSA-N 264.285 -0.736 50 20 CBGD Cn1cc(C(=O)NNC(=O)Nc2ccnn2C)cn1 775752266 UATBSZCEIFESRZ-UHFFFAOYSA-N 263.261 -0.380 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 780710398 BUDRSDNCRCWEOR-MRVPVSSYSA-N 268.317 -0.310 50 20 CBGD CC(C)(C#N)CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 781953671 JYKNXQBQVVKESP-NSHDSACASA-N 288.373 -0.083 50 20 CBGD CCCCNC(=O)NNC(=O)C1CN(C(C)=O)C1 788502704 WMFYJMYSPBXGCY-UHFFFAOYSA-N 256.306 -0.405 50 20 CBGD CC(=O)NNC(=O)CCn1nc(O)c2ccccc2c1=O 789822645 VMPGWULQMPNDNY-UHFFFAOYSA-N 290.279 -0.341 50 20 CBGD NS(=O)(=O)c1ccc(C(=O)NN=c2cc[nH]cc2)cc1 798338345 MRUZGJLTSMVIHZ-UHFFFAOYSA-N 292.320 -0.092 50 20 CBGD C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)N2CCOCC2)O1 800329051 ZMPSIEFBDYCCHS-BBBLOLIVSA-N 271.317 -0.127 50 20 CBGD CC(=NNC(=O)C(N)=O)c1cc([N+](=O)[O-])ccc1N 814696881 PWCAAZNIAMEZSD-UHFFFAOYSA-N 265.229 -0.498 50 20 CBGD CC(C)c1nccn1CC(=O)NNC(=O)C(C)(C)O 822315904 CQUWUFKTMRLJMO-UHFFFAOYSA-N 268.317 -0.075 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccc(S(C)(=O)=O)nc1 823384810 VGPZSWVLXLJUGF-MRVPVSSYSA-N 287.341 -0.558 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCCN1C(=O)C1CC1 823912413 FQFMAZSDODBOGZ-KOLCDFICSA-N 269.345 -0.269 50 20 CBGD C[C@H](CO)N(C)NC(=O)COCc1cccnc1 823922202 JCCQYRBPYFCWBL-SNVBAGLBSA-N 253.302 -0.058 50 20 CBGD C#C[C@H](NCC(=O)NNC(=O)C(C)C)[C@@H]1CCCO1 828953923 MQDODQNRNVYBJU-QWRGUYRKSA-N 267.329 -0.440 50 20 CBGD O=C(O)CCCNC(=O)NNC(=O)[C@H]1CCCCO1 831057718 OFLBSYMEKVQBAS-MRVPVSSYSA-N 273.289 -0.249 50 20 CBGD CN(C)C(=O)NNC(=O)Cn1nnc2c1CCCC2 847402478 GNSQAVCQBPKVHP-UHFFFAOYSA-N 266.305 -0.541 50 20 CBGD Cn1nncc1C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 853389328 ZZNCQLOKCKQCPS-KOLCDFICSA-N 278.316 -0.872 50 20 CBGD CN1CCN(C(=O)NNC(=O)/C=C\[C@@H]2CCOC2)CC1 854381054 DSBBXDWKTWILTN-OTDNITJGSA-N 282.344 -0.433 50 20 CBGD COC(=O)C12CC(C(=O)NNC(=O)c3cc[nH]n3)(C1)C2 855354616 FRKWXPTXTCRGHX-UHFFFAOYSA-N 278.268 -0.486 50 20 CBGD O=C(/C=C/[C@@H]1CCOC1)NNC(=O)c1cc[nH]n1 855354954 OERNXVAMQFELGK-FHKCNRDCSA-N 250.258 -0.237 50 20 CBGD Cc1ncc2n1CC[C@H](C(=O)NNC(=O)c1cc[nH]n1)C2 855356085 LGIOQAUDIBRGDN-VIFPVBQESA-N 288.311 -0.062 50 20 CBGD O=C(COC1CCOCC1)NNC(=O)c1cc[nH]n1 855358564 OKFVXIFSLZDXRJ-UHFFFAOYSA-N 268.273 -0.634 50 20 CBGD CC(C)(C)N1C[C@H](C(=O)NNC(=O)c2cc[nH]n2)CC1=O 855359594 XYXOOUCTTAUITK-MRVPVSSYSA-N 293.327 -0.182 50 20 CBGD NCCCOCCNC(=O)NNC(=O)c1ccccc1O 861690015 LMPDUAXXOCGSFM-UHFFFAOYSA-N 296.327 -0.298 50 20 CBGD C[C@]1(C(=O)NNC(=O)c2cn[nH]c2)CCCOC1 862470995 NBQOSZXGAFWKFK-NSHDSACASA-N 252.274 -0.013 50 20 CBGD COCCS(=O)(=O)CC(=O)NN=c1cc[nH]c(C)c1 862510595 LXSUECYPYTXFFS-UHFFFAOYSA-N 287.341 -0.684 50 20 CBGD C[C@@H]1CN(C2CC2)CC1=NNC(=O)[C@H]1CCC(=O)N1 863148957 NUMVZFIDSQFYQA-PSASIEDQSA-N 264.329 -0.149 50 20 CBGD CC(C)CCO[C@H](C)C(=O)NNC(=O)CS(C)(=O)=O 863460796 MZIAZCOSAVLPGM-SECBINFHSA-N 294.373 -0.370 50 20 CBGD C/C(=C\c1ccco1)C(=O)NNC(=O)CS(C)(=O)=O 863466830 COKBAIVZMXIKFD-SOFGYWHQSA-N 286.309 -0.125 50 20 CBGD CC(=O)[C@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 863883987 UTNXRJQCBLFKAB-CYBMUJFWSA-N 275.113 -0.050 50 20 CBGD COCC(C)(C)C(=O)NNC(=O)c1cccnn1 882056609 AOZWLVXPMLQNEM-UHFFFAOYSA-N 252.274 -0.090 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1cn(C)nc1CC 882078633 YVDFMNPTMGYKJK-UHFFFAOYSA-N 289.361 -0.163 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@]1(CC)CCNC1=O 887153144 JIKWXJBARNCYRM-ZDUSSCGKSA-N 265.313 -0.146 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)CS(C)(=O)=O 899992038 KPJQYBMGYJTMBW-UHFFFAOYSA-N 267.376 -0.675 50 20 CBGD CCC(C)(C)OCC(=O)NNC(=O)CN1CCCC1=O 913733381 HASAQGDUIASZRH-UHFFFAOYSA-N 285.344 -0.039 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1ncccc1F 913733414 IOCSKXVEFSFTNG-UHFFFAOYSA-N 280.259 -0.396 50 20 CBGD C[C@H](C(=O)NNC(=O)c1ccccc1)N1C(=O)CCC1=O 914683986 VXDJXOOADVZCKP-SECBINFHSA-N 289.291 -0.015 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NNC(=O)C1CCOCC1 920301540 NSFKLLJITPZVNM-NSHDSACASA-N 299.371 -0.471 50 20 CBGD CCCNC(=O)NNC(=O)[C@@]12CCC(=O)N1CCS2 921040816 GZOGSOGCGQVMDP-NSHDSACASA-N 286.357 -0.208 50 20 CBGD CC(=O)NNC(=O)C1CCN(C(=O)N(C)C)CC1 1116628777 WEDXAESKFUBLIC-UHFFFAOYSA-N 256.306 -0.453 50 20 CBGD CC(=O)NCC(=O)NNC(=O)NCC(F)(F)F 1116896356 MLXGRHMPRFILHS-UHFFFAOYSA-N 256.184 -0.985 50 20 CBGD CCn1cc(S(=O)(=O)NNC(=O)c2cn[nH]c2)nc1C 1118895758 YPQAIZYXRYZXBI-UHFFFAOYSA-N 298.328 -0.442 50 20 CBGD CC(C)n1ccc(C(=O)NNC(=O)C(=O)NC2CC2)n1 1318514112 NTHQCTPRRGCILI-UHFFFAOYSA-N 279.300 -0.496 50 20 CBGD Cc1cc(=O)c(C(=O)NNC(=O)c2c[nH]nc2C)c[nH]1 1319279014 RBURBEDTYLIRER-UHFFFAOYSA-N 275.268 -0.210 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CC[C@@H](C)C1 1321079571 IPAPYOBQZJWOEQ-HTQZYQBOSA-N 257.290 -0.074 50 20 CBGD COc1nc(Cl)c(C=NNC(=O)CCO)n1C 1324202738 WIONTKCXKVDYTF-UHFFFAOYSA-N 260.681 -0.085 50 20 CBGD CCn1nc(C)c(NC(=O)C(=O)NNC(=O)OC)c1C 1325538560 GIASQFFLOQZZSB-UHFFFAOYSA-N 283.288 -0.154 50 20 CBGD CN(C)C(=O)NNC(=O)CCn1cnc2c(N)ncnc21 1327871531 LAZQTFLQFZIHGE-UHFFFAOYSA-N 292.303 -0.899 50 20 CBGD CO[C@H]1CC[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)C1 1328714976 BDKYUHAJDVAELA-BDAKNGLRSA-N 267.289 -0.079 50 20 CBGD CCn1cc(CC(=O)NNC(=O)COCCOC)cn1 1330604681 VELYBTRLIKHIHK-UHFFFAOYSA-N 284.316 -0.744 50 20 CBGD NC(=O)c1ccc(/C=C\C(=O)N2CC[C@H](B(O)O)C2)o1 1335429386 BPTVRVZGOABMEY-LTMVXPGCSA-N 278.073 -0.533 50 20 CBGD CN(C)C(=O)NNC(=O)c1cccn2c(O)nnc12 1337465600 DDXNRTCWIBDGPU-UHFFFAOYSA-N 264.245 -0.649 50 20 CBGD O=C(CO)NNC(=O)c1ccnc(OC2CCC2)c1 1337720337 AFDMYTRHOUNTMF-UHFFFAOYSA-N 265.269 -0.234 50 20 CBGD NC(=O)C(=O)NN=Cc1cccc(Br)n1 1341889732 CYNPTEUBRWWSQZ-UHFFFAOYSA-N 271.074 -0.221 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCN(C)C2=O)cc1 1342858090 BFOGDTNGVOPDEZ-LLVKDONJSA-N 291.307 -0.066 50 20 CBGD CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CC=C(C#N)CC1 1347103791 GYWPOSIJBYCMOQ-WDEREUQCSA-N 256.327 -0.046 50 20 CBGD CC(C)C#CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1350529701 MAZDKENQRMEZJB-SECBINFHSA-N 272.326 -0.772 50 20 CBGD O=C(O)CC1(C(=O)NNC(=O)c2cccnn2)CCC1 1574671759 XQPGSORBOBRLBU-UHFFFAOYSA-N 278.268 -0.117 50 20 CBGD C[C@](C#N)(CC(=O)O)C(=O)NNC(=O)[C@H]1CCCO1 1588541656 JQHDWRXAZPDWSC-RDDDGLTNSA-N 269.257 -0.683 50 20 CBGD C[C@@](CCF)(NC(=O)c1cccc(B(O)O)c1)C(=O)O 1592498136 VGJYSRLTUFHSHO-LBPRGKRZSA-N 283.064 -0.701 50 20 CBGD O=C1CC[C@H](C(=O)NN=Cc2cc(C(=O)O)ccc2O)N1 1602637967 JOFUZGJUQTZHAC-SECBINFHSA-N 291.263 -0.181 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cc(C(=O)O)ccn1 1604202050 HGXJRFMQFUNLHH-ZETCQYMHSA-N 253.258 -0.263 50 20 CBGD COCC(=O)NN=C(C)c1cc(-c2nn[nH]n2)ccn1 1605039384 HKNWOZSAINHZQW-UHFFFAOYSA-N 275.272 -0.252 50 20 CBGD O=C(NNC(=O)c1ccc(C(=O)O)o1)c1cccnn1 1608479289 XKLKZVDFJJNOTA-UHFFFAOYSA-N 276.208 -0.157 50 20 CBGD CC(=O)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1842609495 JOROOILNNIJFMS-SECBINFHSA-N 288.731 -0.622 50 20 CBGD C=CCNC(=O)/C(C#N)=C/c1cn(C)c(=O)n(C)c1=O 25251383 MGOJVGZJJSRIGG-RMKNXTFCSA-N 274.280 -0.707 50 20 CBGD CC(=O)NNC(=O)CCNC(=O)Cc1ccccc1 48449494 MVSCRHSJYRAXOH-UHFFFAOYSA-N 263.297 -0.097 50 20 CBGD COCCNS(=O)(=O)c1ccc(C)c(C(=O)NN)c1 270200006 FTSZHWXLFJFGDI-UHFFFAOYSA-N 287.341 -0.477 50 20 CBGD CN(NC(=O)C[C@@H]1Oc2ccccc2NC1=O)C(N)=O 272153192 GNKBTNSQCUXQGJ-VIFPVBQESA-N 278.268 -0.182 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cc[nH]n2)CC1 278634927 NMVPPKHJKFIUDI-UHFFFAOYSA-N 252.278 -0.989 50 20 CBGD C=CCNC(=S)NNC(=O)CCCNC(=O)C1CC1 281153942 HRAOJJDKPGARPK-UHFFFAOYSA-N 284.385 -0.026 50 20 CBGD CCOC(=O)NCC(=O)NNC(=O)c1cccn1C 491016887 ZKKYUMZXLQSCMH-UHFFFAOYSA-N 268.273 -0.468 50 20 CBGD CC(=NNC(=O)C(N)=O)C1CN(C(=O)OC(C)(C)C)C1 492292925 XCAXRIDMNAOSGT-UHFFFAOYSA-N 284.316 -0.169 50 20 CBGD CCCN(CC(=O)N(C)C)C(=O)c1cccc(B(O)O)c1 584934705 WXENHKPVIXANCF-UHFFFAOYSA-N 292.144 -0.693 50 20 CBGD CN(C)CCN(C)C(=O)c1cccc(B(O)O)c1 584956056 WPPWUTDBYYUWBO-UHFFFAOYSA-N 250.107 -1.000 50 20 CBGD C[C@H](CCO)NC(=O)c1ccc(B(O)O)c(F)c1 584959013 AZBVHUUDDNLDKT-SSDOTTSWSA-N 255.054 -0.994 50 20 CBGD C[C@@]1(CO)CCC[C@H]1NC(=O)c1ccc(B(O)O)cc1 584963250 WSAVJSFLTUOSNI-OCCSQVGLSA-N 277.129 -0.353 50 20 CBGD COCCCOCCN(C)C(=O)c1ccc(B(O)O)cc1 584970182 LXWVOEHFXYLUMZ-UHFFFAOYSA-N 295.144 -0.509 50 20 CBGD O=C(NCC1[C@@H]2COC[C@@H]12)c1cc(B(O)O)ccc1F 584989045 KEXMIFALISGRBQ-QWRGUYRKSA-N 279.076 -0.872 50 20 CBGD CSCC[C@@H](CO)NCc1ccc(B(O)O)cc1 585030747 YVAMPVCMHMBCSE-LBPRGKRZSA-N 269.175 -0.430 50 20 CBGD CS(=O)(=O)CCCCCNCc1ccc(B(O)O)o1 585037393 ZYQINRDDPVJXJX-UHFFFAOYSA-N 289.162 -0.736 50 20 CBGD CCO[C@@H]1C[C@@H](NCc2ccc(B(O)O)o2)[C@@H]1SC 585048790 WPTITEXBMAHWJU-FOGDFJRCSA-N 285.174 -0.042 50 20 CBGD COCC1(S(=O)(=O)N2CC[C@@H](B(O)O)C2)CC1 585056713 VLGNKQFYFSSYTC-MRVPVSSYSA-N 263.124 -0.956 50 20 CBGD CO[C@H](Cc1ccccc1)CS(=O)(=O)NCB(O)O 585057048 JEKHOCTYHAPCBG-LLVKDONJSA-N 287.146 -0.825 50 20 CBGD O=C(NCB(O)O)[C@H]1CN(Cc2ccccc2)CCO1 585060131 AZQFXRPEBBTYLN-GFCCVEGCSA-N 278.117 -0.984 50 20 CBGD CCC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H](B(O)O)C1 585071872 CFYCQQOEVSANPX-WDEREUQCSA-N 282.149 -0.147 50 20 CBGD C[C@]1(CO)C[C@@H](O)CN1S(=O)(=O)CCCCl 698133880 RIAXXPKTSFYUKZ-RKDXNWHRSA-N 271.766 -0.237 50 20 CBGD CNC(=O)C1(C(=O)NNc2ccnc(N(C)C)n2)CCC1 740104439 KZJZXXZNJGJZPQ-UHFFFAOYSA-N 292.343 -0.098 50 20 CBGD C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)N1CCOCC1 746179258 SZVKZXWNKJIXNH-GHMZBOCLSA-N 284.360 -0.068 50 20 CBGD C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)Cc1cc[nH]n1 755278792 DTAXUMFWLACWMZ-AOOOYVTPSA-N 279.344 -0.028 50 20 CBGD O=C(CO)NNC(=O)Nc1cc(C(F)(F)F)cnc1O 756173607 ZWQKZUPHAHZQHE-UHFFFAOYSA-N 294.189 -0.049 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cnc2nccnc2c1 759823293 IHBXSDVINLQXKN-UHFFFAOYSA-N 297.278 -0.248 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CC1(C)CC1 760814711 AEWVMNDDVVMLRF-SSDOTTSWSA-N 277.346 -0.738 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)Cc2ccc(F)cc2)C1=O 771904006 OXFMHZMNPACLGG-NSHDSACASA-N 293.298 -0.006 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(CCO)CC1 772368688 WTROLNRCQHASQA-QMMMGPOBSA-N 272.301 -0.362 50 20 CBGD CN(C)c1cnc(C(=O)NNC(=O)NC2CC2)cn1 779659151 PYOJFUAUQSITME-UHFFFAOYSA-N 264.289 -0.351 50 20 CBGD COc1ccc(C(=O)NN(C)C(N)=O)cc1-n1cnnn1 782026401 JWHRUILSCMAIRE-UHFFFAOYSA-N 291.271 -0.674 50 20 CBGD CC1(C)CN(CC(=O)NNC(=O)C2CC2)CC[C@@H]1O 782577748 DFYQOTCBMSCPCA-JTQLQIEISA-N 269.345 -0.363 50 20 CBGD C[C@@H](O)C(=O)NNC(=O)COc1ccccc1O 786914161 MFNSLVGJRVTEBZ-SSDOTTSWSA-N 254.242 -0.701 50 20 CBGD CN1CCN(C(=O)NN=Cc2cnc(N)nc2)CC1 790181005 GQTKBQINUZCFMS-UHFFFAOYSA-N 263.305 -0.650 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CCC(=O)c2cccn21 790919116 ITJRUYOUFVIMEI-MRVPVSSYSA-N 251.242 -0.855 50 20 CBGD CC(=O)N[C@@H](CC(=O)NNc1cccc(Cl)n1)C(N)=O 817011039 CUXJMVYTURQYAX-ZETCQYMHSA-N 299.718 -0.442 50 20 CBGD CCN(CCO)NC(=O)Cn1cnc2sccc2c1=O 823838405 QBVDUFXODGITBI-UHFFFAOYSA-N 296.352 -0.197 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cnn(C)c1 825753442 LVFNLWWZEBBTKC-WCBMZHEXSA-N 281.316 -0.325 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H](C)N1C(=O)CCC1=O 843641059 BBSZXFRXGNBUPO-HRDYMLBCSA-N 297.311 -0.904 50 20 CBGD COCCCNC(=O)NNC(=O)C12CC(C(=O)OC)(C1)C2 843775307 VIPCDSJVXADHQT-UHFFFAOYSA-N 299.327 -0.303 50 20 CBGD CN1CCN(C(=O)NNC(=O)Cc2cccnc2)CC1=O 846711398 MHBGJYBMZXQXDV-UHFFFAOYSA-N 291.311 -0.861 50 20 CBGD CCCn1nccc1C(=O)NNC(=O)N1CCN(C)CC1 854379170 QDKBIWVRQAMANN-UHFFFAOYSA-N 294.359 -0.105 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](C)CC(N)=O 854388260 DGRQYGGNXQTPPC-QMMMGPOBSA-N 289.332 -0.566 50 20 CBGD CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1cc[nH]n1 855359173 HYSRNCQMMMLLQW-SNVBAGLBSA-N 279.300 -0.428 50 20 CBGD CC(C)(C)C(=O)NNC(=O)[C@@H]1CC[C@H](C(N)=O)O1 858524007 BCIUREIHAZMKCT-RQJHMYQMSA-N 257.290 -0.787 50 20 CBGD O=C1CC[C@H](C(=O)NN=Cc2ccc(O)c(O)c2)N1 863146094 OTQVMHAWZLWEDL-MRVPVSSYSA-N 263.253 -0.174 50 20 CBGD C=CCCO[C@@H](C)C(=O)NNC(=O)CS(C)(=O)=O 863460511 AMMOPJLBUFCFLU-QMMMGPOBSA-N 278.330 -0.840 50 20 CBGD CCOC(CCNC(=O)c1cccc(B(O)O)c1)OCC 863880447 ZXDQFIPHHPDVJH-UHFFFAOYSA-N 295.144 -0.115 50 20 CBGD CC[S@](=O)CCNCc1ccccc1B(O)O 863888311 NWXSHGJORBSKKG-KRWDZBQOSA-N 255.148 -0.775 50 20 CBGD COC(=O)NCCc1nc(-c2cccc(B(O)O)c2)no1 863892805 JDGABBUDYXKZAZ-UHFFFAOYSA-N 291.072 -0.685 50 20 CBGD O=C(/C=C/CN1CCOCC1)NNC(=O)[C@H]1CCCCO1 868619806 SMAGJZIIDSHBPN-OGOUPESXSA-N 297.355 -0.409 50 20 CBGD Cc1cc(=NNC(=O)N[C@@H](C)C(=O)N(C)C)cc[nH]1 875095819 MFDSBMAKBJAJJW-VIFPVBQESA-N 265.317 -0.085 50 20 CBGD COC(=O)N(C)NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 875349817 GHOBSTDYPQSQEZ-SSDOTTSWSA-N 270.289 -0.338 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNC(=S)NC(C)(C)C 899995858 IOYZJEBAAYMGMN-ZETCQYMHSA-N 272.374 -0.099 50 20 CBGD CNC(=O)NCCC(=O)NNC(=S)NC(C)(C)C 899997084 GUDITPKUHLFYSO-UHFFFAOYSA-N 275.378 -0.401 50 20 CBGD C#CCCCC(=O)NNS(=O)(=O)C[C@@H]1CCCO1 901966805 STCCMJUFOWZRTQ-JTQLQIEISA-N 274.342 -0.081 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCc2nccn2C1 910146103 XUZQHSFSGUHHFQ-UWVGGRQHSA-N 252.318 -0.211 50 20 CBGD CN1CCNC[C@@H]1C(=O)NNc1ccccc1[N+](=O)[O-] 911925916 LEGPKWYMMIBXMF-LLVKDONJSA-N 279.300 -0.059 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccnn1C 914554980 DFEUXEQRNSLCGD-LLVKDONJSA-N 279.344 -0.162 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@H](N(C)C)[C@H]1C 931036894 JAVKVJDPJAOOKP-MNOVXSKESA-N 270.377 -0.186 50 20 CBGD CC(=O)NC(C)(C)C(=O)NNC(=O)Cc1cccnc1 1115988179 GSRHQJREHCWLRI-UHFFFAOYSA-N 278.312 -0.314 50 20 CBGD Cn1cc(C(=O)NN=c2cc[nH]cc2)c(O)nc1=O 1116511555 XACSHYVQSRNTRX-UHFFFAOYSA-N 261.241 -0.940 50 20 CBGD O=C(NN=Cc1cnc2n1CCC2)[C@@H]1CCS(=O)(=O)C1 1118522780 CENUBAFDYWQRRZ-SECBINFHSA-N 296.352 -0.286 50 20 CBGD Cn1ccnc(NNC(=O)COC[C@@H]2CCCO2)c1=O 1252517804 ANFZMDACKDGZLW-VIFPVBQESA-N 282.300 -0.581 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)c1cc[n+]([O-])cc1 1318501297 AVTTXVPBQOTHSI-UHFFFAOYSA-N 272.264 -0.281 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccc([S@@](C)=O)cc1 1318869340 JNQOTBSASIYCHI-GOSISDBHSA-N 267.310 -0.251 50 20 CBGD CS(=O)(=O)CC(=O)NNc1nncc(N)c1Cl 1319215017 LWJBTUDVIMZXGI-UHFFFAOYSA-N 279.709 -0.800 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1cc(C)nn1C 1321184961 LZJCSPDOIJMWDL-UHFFFAOYSA-N 269.261 -0.556 50 20 CBGD CC(=O)N1CCC[C@H](C(=O)NNc2nnc(C)c(O)n2)C1 1321494355 SLNMUXZEGQCGAA-VIFPVBQESA-N 294.315 -0.413 50 20 CBGD C=CCCn1cc(C(=O)NNC(=O)N(C)C)nn1 1325880789 VAKOJTWTOUQDDG-UHFFFAOYSA-N 252.278 -0.230 50 20 CBGD NC(=O)C1(C(=O)NNc2ccc(-n3ccnc3)nn2)CC1 1328668737 KKVWPKYQKVOWAZ-UHFFFAOYSA-N 287.283 -0.629 50 20 CBGD Cc1cccnc1NNC(=O)c1cnn(C[C@@H](O)CO)c1 1329263109 NYXGKYKHTGTYCG-LLVKDONJSA-N 291.311 -0.303 50 20 CBGD O=C(NNC(=O)[C@@]12CCC[C@@H]1C2)[C@@H]1CCS(=O)(=O)C1 1334107033 BUZHBJQYVXWVGW-KBVBSXBZSA-N 286.353 -0.241 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)C(C)(C)C)N1CCN(C)CC1 1528443707 PMAJUSBSFMJTBR-NSHDSACASA-N 299.419 -0.001 50 20 CBGD CC(C)[C@H](N)C(C)(C)C(=O)NNC(=O)CS(C)(=O)=O 1575447121 JWVGLBHXYAPZTR-VIFPVBQESA-N 293.389 -0.812 50 20 CBGD COCCOc1ccc(CC(=O)NNC(=O)CCN)cc1 1579064427 NFQYXOIYUKYTOQ-UHFFFAOYSA-N 295.339 -0.250 50 20 CBGD N[C@@H]1C[C@H]2C[C@@]2(C(=O)NNC(=O)[C@H]2CCCCO2)C1 1580405107 OCJSUOGAFINPOG-DCJFZGGZSA-N 267.329 -0.170 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CO[C@H](CCC(=O)O)C1 1593797452 IRDXBUSEAKIBAW-JGVFFNPUSA-N 289.357 -0.276 50 20 CBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)N1CCOCC1 1594228212 PSEUTJHOUTWCGN-HQJQHLMTSA-N 271.273 -0.830 50 20 CBGD O=C(O)C1=NO[C@H](C(=O)NNC(=O)[C@H]2CCCS2)C1 1594889967 OXKFZGUQUZHNKY-NKWVEPMBSA-N 287.297 -0.741 50 20 CBGD CO[C@@H](CNC(=O)NNC(=O)C(=O)O)Cc1ccccc1 1599049140 DSWCREMUCUFJFA-SNVBAGLBSA-N 295.295 -0.341 50 20 CBGD C[C@H]1CC[C@H](C(=O)O)CN1C(=O)c1cccc(B(O)O)c1 1603388721 OWYUDPFKAIDZSD-ONGXEEELSA-N 291.112 -0.308 50 20 CBGD CCCNC(=O)NNC(=O)CS(=O)(=O)CCC 49278905 LHAGGCZEBRFBSX-UHFFFAOYSA-N 265.335 -0.448 50 20 CBGD NC(=O)c1ccc(OCC(=O)NNC(=O)C2CC2)cc1 49446356 DNKSGBLCQLVERZ-UHFFFAOYSA-N 277.280 -0.278 50 20 CBGD O=C(CNCC(F)(F)F)NNC(=O)c1ccccn1 68367581 MHMUJKMHYALPMR-UHFFFAOYSA-N 276.218 -0.006 50 20 CBGD CC(C)(C)C(=O)NNC(=O)c1ccc(C(N)=O)nc1 123772887 PXYZSGPREXGERJ-UHFFFAOYSA-N 264.285 -0.012 50 20 CBGD CN(C)c1cccc(C(=O)NNC(=O)c2nc(=O)[nH][nH]2)c1 126292251 PZBAHJRLGBXSEF-UHFFFAOYSA-N 290.283 -0.761 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(F)cn1 186149069 XGYCXAYZPAGYCZ-UHFFFAOYSA-N 263.232 -0.053 50 20 CBGD CNC(=O)[C@H]1CN(CCI)CCO1 191046120 RRCXKWJJMIZPPP-SSDOTTSWSA-N 298.124 -0.132 50 20 CBGD CN1CC[C@@H](NS(=O)(=O)CCCCl)C1=O 230278495 BAHGOAIZFHCSRB-SSDOTTSWSA-N 254.739 -0.235 50 20 CBGD O=S(=O)(CCCCCl)N1C[C@H](O)[C@H](O)C1 232227205 JGYKAGHNSCNBAD-OCAPTIKFSA-N 257.739 -0.627 50 20 CBGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)C1CC1 263865138 VSPQFMYVEYPKPL-UHFFFAOYSA-N 287.297 -0.878 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CC(=O)N(CCOC)C1 272683593 OIYNAEWGBOFYRS-VIFPVBQESA-N 286.332 -0.826 50 20 CBGD CCN(C)C(=O)CNC(=O)NNc1ncncc1F 292999558 KWGPBWPBAMYXST-UHFFFAOYSA-N 270.268 -0.280 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)COc1ccc(C)cc1 298307502 QTVDPQWONFTCSY-UHFFFAOYSA-N 293.323 0.000 50 20 CBGD CN1C[C@@H](C(=O)NNC(=O)c2ccncc2)CC1=O 298340082 KBWQYGJBBRHRQQ-VIFPVBQESA-N 262.269 -0.679 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@H]1NC(=O)O[C@@H]1C 496992992 ADLKXRZJSWFBOU-XCBNKYQSSA-N 293.279 -0.047 50 20 CBGD O=C(COC[C@@H]1CCCO1)Nc1cccc(B(O)O)c1 584911033 GNZNTQBHVSPFJX-LBPRGKRZSA-N 279.101 -0.500 50 20 CBGD CCN(CCNC(=O)c1ccc(B(O)O)cc1)C(C)C 584946009 OJYOOBGAUJYRMZ-UHFFFAOYSA-N 278.161 -0.174 50 20 CBGD CCC[C@@H](O)CNC(=O)c1ccc(B(O)O)c(F)c1 584960761 UKHGUYPGHGVWHF-SECBINFHSA-N 269.081 -0.604 50 20 CBGD O=C(NCC1(CCO)CCC1)c1ccc(B(O)O)c(F)c1 584964942 LWYQSYBTTIDYKF-UHFFFAOYSA-N 295.119 -0.212 50 20 CBGD O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]21)c1ccc(B(O)O)c(F)c1 584979103 KUUWPZQXHFBKSH-WQAKAFBOSA-N 293.103 -0.197 50 20 CBGD COCC1(N(C)C(=O)c2ccc(B(O)O)cc2)CC1 585005561 CDOKJQPWHKBTSB-UHFFFAOYSA-N 263.102 -0.383 50 20 CBGD Cc1noc(CN(C)C(=O)c2ccc(B(O)O)cc2)n1 585009080 UOLGOXXIKYMNFR-UHFFFAOYSA-N 275.073 -0.670 50 20 CBGD CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 585010102 JSTGLFCELKSUIW-LBPRGKRZSA-N 290.128 -0.941 50 20 CBGD Cc1nc2n(n1)C[C@@H](NCc1ccccc1B(O)O)CC2 585020309 RXEKUFMORWAJFS-LBPRGKRZSA-N 286.144 -0.629 50 20 CBGD OB(O)c1ccccc1CNC[C@H](O)COCC1CC1 585020388 VDRYIXNOKKXUEG-ZDUSSCGKSA-N 279.145 -0.757 50 20 CBGD CCC[C@@H](CCO)CNCc1ccc(B(O)O)o1 585027060 NZUUKCSQSIOIJF-JTQLQIEISA-N 255.123 -0.152 50 20 CBGD OC[C@@H](CC(F)F)NCc1ccc(B(O)O)cc1F 585038289 YYGMTKRQPJQXRA-SECBINFHSA-N 277.051 -0.389 50 20 CBGD O=S(=O)(c1cncc(Cl)c1)N1CC[C@@H](B(O)O)C1 585057527 GJNBYJQFCBKKQX-SSDOTTSWSA-N 290.537 -0.028 50 20 CBGD C[C@@H]1CCN(c2cc(C(=O)NCB(O)O)ccn2)C1 585060898 GZVRXESVSOMAPE-SECBINFHSA-N 263.106 -0.330 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)C1=COCC1 734125348 NJSKHLQUUDMGSM-UHFFFAOYSA-N 279.252 -0.539 50 20 CBGD Cc1[nH]c(C(=O)NNC(=O)c2cnn[nH]2)c(C)c1C(=O)O 738158014 VONASFFMLQKTKR-UHFFFAOYSA-N 292.255 -0.477 50 20 CBGD CC[C@H](COC)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 739049687 RTSSHPGACQFWKN-KOLCDFICSA-N 293.389 -0.208 50 20 CBGD COc1cc(C(=O)NNC(=O)CO)ccc1[N+](=O)[O-] 753443798 AYFNANYGLHOIGS-UHFFFAOYSA-N 269.213 -0.643 50 20 CBGD COCC(=O)NN=Cc1c(C)nn(C)c1N1CCOCC1 755772188 FFINRRTXDLAINN-UHFFFAOYSA-N 295.343 -0.338 50 20 CBGD N#CCC(=O)NNC(=O)COc1ccc(C#N)cc1 771868619 QCSJQRXHVVLXPJ-UHFFFAOYSA-N 258.237 -0.002 50 20 CBGD CNC(=O)NNC(=O)CCCNC(=O)c1cccnc1 772220892 IBSHASBDKUYHPP-UHFFFAOYSA-N 279.300 -0.448 50 20 CBGD CC[C@@H](CO)C(=O)NNC(=O)Cc1ccncc1 779802446 OEESSDBPUCNOKF-JTQLQIEISA-N 251.286 -0.210 50 20 CBGD O=C(CO)NNC(=O)CCCc1ccc(O)c(F)c1 788003910 MECRMYWIEOTCRA-UHFFFAOYSA-N 270.260 -0.006 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCC(=O)c2cccn21 790042482 IDWNKKWDBILHBX-SECBINFHSA-N 279.296 -0.076 50 20 CBGD CC[C@H](CO)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 792855783 SXDHRVJGMLEKEM-ZJUUUORDSA-N 278.374 -0.503 50 20 CBGD C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)C(=O)N1CCCC1 793304914 PNZJUWOAYASUBR-VHSXEESVSA-N 295.339 -0.239 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)c2c[nH]nc2C)[nH]1 815506487 ZNEPRBAVEQVWIE-UHFFFAOYSA-N 291.267 -0.092 50 20 CBGD CC1CCN(CC(=O)NNc2cnnn2C)CC1 816771059 WOJFSFSDUGSAFX-UHFFFAOYSA-N 252.322 -0.010 50 20 CBGD CN(NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C1CC1 819648872 VOTAPODFPNQLIZ-IQIPOGNMSA-N 293.323 -0.726 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)s1 821582965 DHIOZGRVYJUSGW-UHFFFAOYSA-N 295.328 -0.749 50 20 CBGD CC(C)Cn1[nH]c(CC(=O)NN(C)[C@H](C)CO)cc1=O 823384286 HMCCGNTXWWEHFF-SNVBAGLBSA-N 284.360 -0.281 50 20 CBGD NNC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 825651932 IFPZATULETUENV-UHFFFAOYSA-N 277.328 -0.500 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC(=O)N(C2CC2)C1 827274969 RGCJXKYEHOXCHO-SCZZXKLOSA-N 296.327 -0.584 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cnc3n2CCC3)cn1 828087214 FYUOYBXQJBPFOY-UHFFFAOYSA-N 274.284 -0.362 50 20 CBGD COCC1(CC(=O)NNC(=O)N2CCN(C)CC2)CC1 844136443 HBKBTSHCNKFBIH-UHFFFAOYSA-N 284.360 -0.209 50 20 CBGD CCCNC(=O)NNC(=O)[C@H]1CCc2nnnn2CC1 845302212 PHRRUSLQYNJNBT-QMMMGPOBSA-N 281.320 -0.634 50 20 CBGD C[C@@H](CC(=O)NNC(=O)N1CCN(C)CC1)n1ccnc1 846639425 OOOMFDQNSRVESB-NSHDSACASA-N 294.359 -0.178 50 20 CBGD Cc1nn(CC(=O)NNc2nccnc2Cl)c(=O)n1C 848370517 WLMOXEZGQNZZRX-UHFFFAOYSA-N 297.706 -0.523 50 20 CBGD O=S(=O)(CCl)NC[C@H](O)COCC1CC1 849376635 SRUMSUQPVPEGOE-QMMMGPOBSA-N 257.739 -0.110 50 20 CBGD O=C(NNC(=O)[C@@H]1CCn2ccnc2C1)c1cc[nH]n1 855354333 AJCZYUXGRABBDL-MRVPVSSYSA-N 274.284 -0.370 50 20 CBGD C[C@H](C(=O)NNC(=O)c1ccccn1)[C@@H]1CCC(=O)N1 858091940 KLPWKPUFVBYEIH-IUCAKERBSA-N 276.296 -0.243 50 20 CBGD CSCCCN(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858700323 JGKDJOIMJQEALE-MRVPVSSYSA-N 288.373 -0.309 50 20 CBGD CC(C)(C)C(=O)NNC(=O)c1cccc(B(O)O)c1 863869274 KRHNTGMKJQMZJK-UHFFFAOYSA-N 264.090 -0.827 50 20 CBGD COC[C@H](NS(=O)(=O)CC(C)(C)CCl)C(N)=O 867022948 MFPFMUSCXUCNEW-ZETCQYMHSA-N 286.781 -0.329 50 20 CBGD CCc1nn(C)cc1S(=O)(=O)N1CC[C@@H](B(O)O)C1 887330884 BBMRQTMXOZUEIC-MRVPVSSYSA-N 287.150 -0.780 50 20 CBGD COC(=O)N[C@H](C(=O)NN(C)C[C@H](C)O)C(C)C 910166926 FEKKDJREYMABIK-IUCAKERBSA-N 261.322 -0.289 50 20 CBGD O=C1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H](C2CC2)C1 912178956 IFNKACKKWZMCCJ-CQSZACIVSA-N 287.124 -0.050 50 20 CBGD NC(=O)[C@@H]1C[C@@H]1C(=O)NNCC(F)(F)C(F)(F)F 913163070 BBACZCOADIRWNN-DMTCNVIQSA-N 275.177 -0.074 50 20 CBGD C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)CN1CCCC1=O 913732615 CJNDPHLQSSUCSM-VHSXEESVSA-N 295.339 -0.239 50 20 CBGD Cc1nn(C)cc1C1=NO[C@@H](C(=O)NNC(=O)C2CC2)C1 929231895 LKMYOJDDUJWHTR-LLVKDONJSA-N 291.311 -0.221 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](C)C[C@H]1CCOC1 1116268798 LCWSQIAUSDRXGL-HTQZYQBOSA-N 273.289 -0.695 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCc1cnccn1 1116879345 XJWPOLBOVHGAKJ-UHFFFAOYSA-N 274.284 -0.098 50 20 CBGD Cn1nncc1C(=O)NNC(=O)NCc1ccco1 1116913134 BYBQMYSVELYFFX-UHFFFAOYSA-N 264.245 -0.448 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(CO)CCOCC1 1118214570 SJYAOLOCNYOUQW-ZJUUUORDSA-N 286.328 -0.652 50 20 CBGD COCCOCC(=O)NN=Cc1cc(C)ncn1 1119072105 AGWXYTKRMPCVSH-UHFFFAOYSA-N 252.274 -0.102 50 20 CBGD CCn1nc(C(=O)NNC(=O)c2c[nH]nc2C)ccc1=O 1251765517 XBEHDDQOVYHNGE-UHFFFAOYSA-N 290.283 -0.630 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1253311547 FWFDVOLDJMNEHX-DTWKUNHWSA-N 290.341 -0.862 50 20 CBGD Cc1nc(C(=O)NNC(=O)C(=O)NC(C)C)ccc1C#N 1317800460 UDKKAYQNDYSEDG-UHFFFAOYSA-N 289.295 -0.453 50 20 CBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC=CC1 1318785206 VBEUHFKDOKSWIU-SECBINFHSA-N 272.326 -0.465 50 20 CBGD CCc1cc(CNC(=O)NNC(=O)C(=O)OC)on1 1318943786 WPSNPXUHGKLQGB-UHFFFAOYSA-N 270.245 -0.760 50 20 CBGD NC(=O)c1ccc(C(=O)NNc2cccnn2)nc1 1320052845 DJXTVTUHIYUOCT-UHFFFAOYSA-N 258.241 -0.273 50 20 CBGD CN(C)N(C(=O)c1cc(C=O)c[nH]1)[C@@H]1CCS(=O)(=O)C1 1325030111 SBVTUSNTNFMXRQ-SNVBAGLBSA-N 299.352 -0.067 50 20 CBGD COCCn1cc(C(=O)NNc2ccncn2)nn1 1329046443 ZOBXCTXLNVGKLR-UHFFFAOYSA-N 263.261 -0.529 50 20 CBGD CNC(=S)N(C)NC(=O)c1cc(CN(C)C)on1 1329333964 IMCVBXBHJLZCMC-UHFFFAOYSA-N 271.346 -0.183 50 20 CBGD C[C@H](NC(=O)NNC(=O)C1CCOCC1)C(=O)N(C)C 1330839210 BCIBKRRVTAMVIN-QMMMGPOBSA-N 286.332 -0.780 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H]2C(N)=O)cc1 1334619063 ITGGDRIRFKBUKU-GHMZBOCLSA-N 291.307 -0.032 50 20 CBGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)NCC2CC2)c1C 1341390450 HTSCNTHYHIZNPZ-UHFFFAOYSA-N 293.327 -0.249 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CCCN1C(=O)CN(C)C1=O 1352228237 BYFUBQQCSXQNLL-VIFPVBQESA-N 286.332 -0.996 50 20 CBGD N[C@@H]1[C@@H](C(=O)NNC(=O)c2cc[nH]n2)[C@H]2C=C[C@H]1C2 1574284911 ZZLDMMOHBXQSAO-YIKMNZTOSA-N 261.285 -0.680 50 20 CBGD CC(C)C[C@H]1C[C@@H](NC(=O)NNC(=O)C(=O)O)CCO1 1591206838 ZEAJZJZOFJDJTC-IUCAKERBSA-N 287.316 -0.005 50 20 CBGD CC(CCC(=O)O)=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1592470477 LGTNKHJGJYWIPB-MRVPVSSYSA-N 276.314 -0.222 50 20 CBGD CC[C@H](C(=O)O)C(=O)NNC(=O)C(=O)Nc1ccccn1 1594755380 IGQDBYFRNHRCAH-ZETCQYMHSA-N 294.267 -0.722 50 20 CBGD CC[C@@H](NNC(=O)c1ccc(=O)n(C)c1)C(=O)O 1595305456 IPZQGFRVWXGNQB-MRVPVSSYSA-N 253.258 -0.517 50 20 CBGD COCc1csc(CNC(=O)NNC(=O)C(=O)O)c1 1599300212 UKJSIDXNDHOACY-UHFFFAOYSA-N 287.297 -0.191 50 20 CBGD O=C(O)[C@@H]1OCC[C@@H]1NS(=O)(=O)CBr 1602202793 HKPAUVMULCMMKH-CRCLSJGQSA-N 288.119 -0.500 50 20 CBGD O=C(O)CC1(CS(=O)(=O)N2CC[C@H](B(O)O)C2)CC1 1608681054 FAKNBEJBFCVMDL-QMMMGPOBSA-N 291.134 -0.880 50 20 CBGD Cn1nc(C(=O)O)cc1C=NNC(=O)c1cc[nH]n1 1776091876 LCNSMWXCPIHMEU-UHFFFAOYSA-N 262.229 -0.395 50 20 CBGD C[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)[C@@H]1CCCO1 42968992 VUGWXRKLUNUGFB-SCZZXKLOSA-N 295.295 -0.276 50 20 CBGD CCNC(=O)NNC(=O)CNC(=O)NCc1ccco1 49183189 WUBLWEUSWHUUAD-UHFFFAOYSA-N 283.288 -0.571 50 20 CBGD CC(C)[C@@H](C(=O)NNC(=O)CN(C)C)N1CCCC1=O 113426564 HLDXQQOPQKUBON-LBPRGKRZSA-N 284.360 -0.658 50 20 CBGD O=C(CO)NNC(=O)c1cc(-c2ccccc2)[nH]n1 180947768 IVKVUFAFBSYJRM-UHFFFAOYSA-N 260.253 -0.170 50 20 CBGD NNC(=O)CCNS(=O)(=O)c1ccc(F)cc1 194120652 IHRQPRBUZHYBLS-UHFFFAOYSA-N 261.278 -0.516 50 20 CBGD CO[C@@H](C)C(=O)NNC(=O)COc1ccccc1O 264557914 PZCJTONUCVRUIA-QMMMGPOBSA-N 268.269 -0.047 50 20 CBGD COc1cccc(NNC(=O)N[C@@H]2CCN(C)C2=O)n1 272604346 SPNFKZICQNVGEE-MRVPVSSYSA-N 279.300 -0.053 50 20 CBGD Cc1cc(NNC(=O)[C@@H]2CN3CCCN2CC3)nc(C)n1 372340925 WTIOBBJEUVXGDM-LBPRGKRZSA-N 290.371 -0.074 50 20 CBGD COC(=O)NCCC(=O)NNC(=O)Cn1nc(C)cc1C 491272179 BXMRPUHLLCVMLB-UHFFFAOYSA-N 297.315 -0.607 50 20 CBGD COC(=O)N(C)NC(=O)C1=C(C)N(C)c2nnnn2[C@H]1C 496489025 IAIUUIHUIVLCOO-ZETCQYMHSA-N 295.303 -0.313 50 20 CBGD CN(CCNC(=O)c1ccc(B(O)O)c(F)c1)C1CC1 584934686 UYKXKEXODGBULL-UHFFFAOYSA-N 280.108 -0.671 50 20 CBGD N#C[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)C1CC1 584941176 FWONIZRMEIWHLX-NSHDSACASA-N 262.049 -0.463 50 20 CBGD CCOCCOCCN(C)C(=O)c1cccc(B(O)O)c1 584979827 GZMOOLNQCNVGAU-UHFFFAOYSA-N 295.144 -0.509 50 20 CBGD C[C@H]1COCC[C@@H]1CNC(=O)c1ccc(B(O)O)c(F)c1 584989712 TYLLTVAPEVUZKJ-GXSJLCMTSA-N 295.119 -0.092 50 20 CBGD C[C@H](CCNC(=O)c1ccc(B(O)O)c(F)c1)N(C)C 585006780 OLUZYJISRGCHNR-SECBINFHSA-N 282.124 -0.425 50 20 CBGD CN1CC(CN(C)C(=O)c2ccc(B(O)O)c(F)c2)C1 585007434 MUMNWDZEMCLXQR-UHFFFAOYSA-N 280.108 -0.861 50 20 CBGD C[C@](CO)(CCF)NC(=O)c1ccc(B(O)O)c(F)c1 585010481 LTDFYBRPBWKWMA-GFCCVEGCSA-N 287.071 -0.654 50 20 CBGD C[C@@H](CCN(C)C)NCc1ccc(B(O)O)cc1F 585021296 SFYLANQBBXNACV-JTQLQIEISA-N 268.141 -0.065 50 20 CBGD CN1CCC[C@@H](NCc2ccccc2B(O)O)C1=O 585025678 ABEYFMHOTHHADY-GFCCVEGCSA-N 262.118 -0.923 50 20 CBGD OB(O)c1ccc(CNC[C@H](O)c2cccnc2)o1 585030265 QHSOHLPVSIVXQO-NSHDSACASA-N 262.074 -0.822 50 20 CBGD OB(O)c1ccc(CNC[C@H]2CN3CCCC[C@H]3CO2)o1 585033892 HYDNUVKZXMDRTR-AAEUAGOBSA-N 294.160 -0.698 50 20 CBGD Cc1cnc(CCNCc2cccc(B(O)O)c2)cn1 585044219 BMDCQIGFTXUOJE-UHFFFAOYSA-N 271.129 -0.203 50 20 CBGD CC(C)n1ncc2cc(S(=O)(=O)NCB(O)O)ccc21 585055617 FKXPDHFZDRUYAP-UHFFFAOYSA-N 297.145 -0.093 50 20 CBGD O=C(COCCc1cccc(F)c1)NCB(O)O 585062064 ATMNOUKLINGSSK-UHFFFAOYSA-N 255.054 -0.487 50 20 CBGD O=C(NCCO)C1CCN(S(=O)(=O)CCl)CC1 711863054 MYWMVSWUVMJZNP-UHFFFAOYSA-N 284.765 -0.667 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 732087174 WSJCVOMOBORZRF-QMMMGPOBSA-N 291.311 -0.510 50 20 CBGD CCOC(=O)[C@@H]1CCCCN1CC(=O)NNC(=O)C1CC1 733193514 SXEJGYOCPZUDKZ-NSHDSACASA-N 297.355 -0.039 50 20 CBGD CCCNC(=O)NNS(=O)(=O)C[C@H]1CCCO1 735645281 BKASQSKQMXQVRX-MRVPVSSYSA-N 265.335 -0.291 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](NC(=O)O)C(C)C 738335898 ZYMXUOOWLYCADC-QMMMGPOBSA-N 283.288 -0.229 50 20 CBGD C[C@H](NC(=O)c1ccoc1)C(=O)NNC(=O)N(C)C 746001351 KYHWGUMUBYQPJU-ZETCQYMHSA-N 268.273 -0.300 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1cccc(C#N)c1 748046299 LFGWWDRNOZBKDT-UHFFFAOYSA-N 268.298 -0.449 50 20 CBGD CCO[C@H](CC)C(=O)NNC(=O)C(=O)N1CCCC1 748239159 FCDUHPRPBHPEFL-SECBINFHSA-N 271.317 -0.429 50 20 CBGD Cn1cc(C(=O)NNC(=O)Nc2cccn(C)c2=O)cn1 756683238 KWJGZEZLMLQECC-UHFFFAOYSA-N 290.283 -0.415 50 20 CBGD CCOC(=O)c1ccccc1NC(=O)C(=O)NNC(C)=O 763518804 ZIKLDQPEMYRWBO-UHFFFAOYSA-N 293.279 -0.031 50 20 CBGD COc1c(C)ccc(NC(=O)C(=O)NNC(=O)CO)c1C 764421274 IWCZALYBPPEUGS-UHFFFAOYSA-N 295.295 -0.610 50 20 CBGD COC(=O)c1ccc(NNC(=O)C2(O)CCOCC2)nc1 773517610 NZMMBBKIUBUHPF-UHFFFAOYSA-N 295.295 -0.147 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNc1cccnn1 775606070 QPYZZXTXSSCVKQ-VIFPVBQESA-N 251.290 -0.360 50 20 CBGD C[C@@H](O)[C@@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)C1 780354081 KBMDVGCCXZETBT-NXEZZACHSA-N 271.361 -0.117 50 20 CBGD COc1ccc(NNC(=O)C2(C(N)=O)CC2)nc1 781516651 VQURLVIRRHQMOA-UHFFFAOYSA-N 250.258 -0.201 50 20 CBGD Cc1cc(C(=O)NNC(=O)N2CCN(C)CC2)on1 788168771 CBBWGJRLSMLYQS-UHFFFAOYSA-N 267.289 -0.415 50 20 CBGD CSSCCNC(=O)NCCS(N)(=O)=O 790877181 WQSBGAMWJFKVAJ-UHFFFAOYSA-N 273.405 -0.415 50 20 CBGD CC[C@H](C)[C@H](OC)C(=O)NNC(=O)C(=O)NC(C)C 792853940 NYNWCIYRORVWHZ-IUCAKERBSA-N 273.333 -0.281 50 20 CBGD Cn1cc2c(n1)CCCC2=NNC(=O)C(=O)NC1CC1 794483633 QTKSAIKOAZCILT-UHFFFAOYSA-N 275.312 -0.145 50 20 CBGD CC(C)n1ncc(C(=O)NNC(=O)C(C)(C)O)c1N 798996997 AJHUONNKHRKLMU-UHFFFAOYSA-N 269.305 -0.422 50 20 CBGD CCCNC(=O)NNS(=O)(=O)C[C@H](C)OC 800833844 JFMUDWXYAITARQ-ZETCQYMHSA-N 253.324 -0.435 50 20 CBGD CC(=NNC(=O)C(N)=O)c1cccc(O[C@H](C)C(=O)O)c1 814695855 UDWYTNVVASMZST-MRVPVSSYSA-N 293.279 -0.136 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)CC2CC2)CCC1 819114142 AXXOWTSIAKYTQS-UHFFFAOYSA-N 253.302 -0.150 50 20 CBGD CN1C(=O)CC[C@@H](NC(=O)NNC(=O)C2CCCC2)C1=O 823502973 KYUKNLFMNCMSSJ-SECBINFHSA-N 296.327 -0.346 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1C[C@H]2C=C[C@H]1N(C(=O)OC)C2 823893747 VFNDPECBOGBLTH-IJLUTSLNSA-N 297.355 -0.025 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)[C@@H]1CCNC1=O 826773659 GAYSPQCHEVJKLG-MRVPVSSYSA-N 293.279 -0.946 50 20 CBGD O=C(O)c1ccc(C=NNC(=O)[C@@H]2COCCO2)o1 833312588 RIPFGMNONQTNQW-VIFPVBQESA-N 268.225 -0.157 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)COC1CCOCC1 843650305 AZAUNSUEYURDFL-GXSJLCMTSA-N 286.328 -0.246 50 20 CBGD CNC(=S)N(C)NC(=O)C(C)(C)S(=O)(=O)C1CC1 854921406 QZKBAYYEKJITHG-UHFFFAOYSA-N 293.414 -0.191 50 20 CBGD NC(=O)CCCC(=O)NNC(=S)NCC1CCC1 855091300 KQZNBCMCTRXQBL-UHFFFAOYSA-N 272.374 -0.063 50 20 CBGD O=C(NNC(=O)C1(C(=O)NC2CC2)CC1)c1cc[nH]n1 855359258 LIPGKSQFMBMQBR-UHFFFAOYSA-N 277.284 -0.771 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)c1ccccc1O 856762968 ZJKUXRFAWICJSF-JTQLQIEISA-N 268.269 -0.185 50 20 CBGD CCN(CCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(C)C 858194419 DVKVWANFKGVYOS-JTQLQIEISA-N 299.375 -0.674 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCC2=CCCC2)N1 858619682 RRYOZLKBBWKIBM-VIFPVBQESA-N 266.301 -0.294 50 20 CBGD CCCCCCN(C)CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862454953 LQNCCSYWYOPFKV-LLVKDONJSA-N 298.387 -0.076 50 20 CBGD CCN(CC)C(=O)CCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862455879 JYBSTICWRJMOCF-VIFPVBQESA-N 298.343 -0.939 50 20 CBGD CC[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(OC)OC 863879831 DKBKTBBTPIYJTE-LLVKDONJSA-N 281.117 -0.506 50 20 CBGD O=C(NOCCC1CC1)c1cc(B(O)O)ccc1F 863883666 IXECLIGASAGLLI-UHFFFAOYSA-N 267.065 -0.033 50 20 CBGD COCCN1CN(S(=O)(=O)CCCCl)CC1=O 882166941 YSYFZKFCWFYNMP-UHFFFAOYSA-N 284.765 -0.307 50 20 CBGD Cc1cc(C)n(CCCC(=O)NNC(=O)CN(C)C)n1 894134777 NTCLRTKESWQABT-UHFFFAOYSA-N 281.360 -0.011 50 20 CBGD CCC(=O)C1(C(=O)NNC(=O)CN2CCCC2=O)CC1 913733402 IDQYPRHEDGTDMR-UHFFFAOYSA-N 281.312 -0.485 50 20 CBGD CN(CC(N)=O)CC(=O)NNC(=O)c1cccc(Cl)c1 919674443 UAOFJOURNRWVTI-UHFFFAOYSA-N 298.730 -0.482 50 20 CBGD NC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccncc2)C1 1115818751 VIUSIDRSMYFLFW-SNVBAGLBSA-N 291.311 -0.367 50 20 CBGD C/C(=C\C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1cnccn1 1118884797 QMFCTPUHXGASIH-ORZBULNSSA-N 289.295 -0.694 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1[C@@H](C)[C@@H](OC)C1(C)C 1320639108 BBHUFKDSPXOIBF-BWZBUEFSSA-N 287.316 -0.451 50 20 CBGD CN(C)C(=O)c1cccc(C(=O)NNC(=O)CO)c1 1320967723 OXFJUJZDBUZERP-UHFFFAOYSA-N 265.269 -0.858 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cccc(C)n1 1320997364 UIVCONMVUCPNNQ-UHFFFAOYSA-N 252.230 -0.284 50 20 CBGD CCOC(=O)NCC(=O)NNc1nnc(C)c(O)n1 1321995310 RKQVPVVXPRBVQO-UHFFFAOYSA-N 270.249 -0.925 50 20 CBGD C=CCSCCNC(=O)NNC(=O)C(=O)OC 1323605164 HGVIFGMZIRUYJH-UHFFFAOYSA-N 261.303 -0.591 50 20 CBGD COC1(C(=O)NNC(=O)c2ncccn2)CCOCC1 1327412575 WSMLVZVUNCVXAY-UHFFFAOYSA-N 280.284 -0.567 50 20 CBGD CCCNC(=O)CCC(=O)N1CC[C@H](B(O)O)C1 1329216214 UWYFIFQLNGNSJT-VIFPVBQESA-N 256.111 -0.632 50 20 CBGD Cc1cccc(C)c1NC(=O)C(=O)NNC(=O)CCO 1337981683 SBYJEAMLMRWLMI-UHFFFAOYSA-N 279.296 -0.228 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1c(F)cncc1F 1348952304 NTAJRJFTTKEPAY-UHFFFAOYSA-N 259.212 -0.108 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc2nonc2c1 1349564132 LLQANVBEJUJBDC-UHFFFAOYSA-N 264.241 -0.245 50 20 CBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)c1ccc[nH]1 1520747426 OWKJQZGFRNUOBK-MWLCHTKSSA-N 277.328 -0.836 50 20 CBGD NCCC(=O)NNC(=O)c1cncc(F)c1Cl 1580281548 DQCIDFAULXRYIH-UHFFFAOYSA-N 260.656 -0.016 50 20 CBGD COCCCNC(=O)NNC(=O)[C@]1(C(=O)O)CC1(C)C 1593994805 SFIBAFYXQQEWDY-LBPRGKRZSA-N 287.316 -0.146 50 20 CBGD Cc1nn(C)cc1[C@H](C)NC(=O)NNC(=O)C(=O)O 1608004393 HLCYYJMTYAPZEK-YFKPBYRVSA-N 269.261 -0.795 50 20 CBGD CC(C)(O)C(=O)NNC(=O)Cc1ccc(C(=O)O)cc1 1609681257 WGQFIHXIKAQGBZ-UHFFFAOYSA-N 280.280 -0.154 50 20 CBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)Cc1cccnc1 1609886042 CRUMNHQAMISYCD-SECBINFHSA-N 265.269 -0.118 50 20 CBGD O=C(CN1CCC(O)CC1)NNC(=O)c1cccs1 48695154 YEPNMMCXLWXMJJ-UHFFFAOYSA-N 283.353 -0.034 50 20 CBGD CCNC(=O)CN(CC)[C@H](C)C(=O)NNC(=O)CC 111198335 GOQBFZLBCQMUTK-SECBINFHSA-N 272.349 -0.610 50 20 CBGD CNC(=O)[C@H](C)NS(=O)(=O)CBr 127384400 XBQSJFFKMCHDPI-BYPYZUCNSA-N 259.125 -0.607 50 20 CBGD CN[C@@H]1CCN(CC(=O)NNC(=O)c2ccccc2)C1 133094107 LQICJMLIANWZNF-GFCCVEGCSA-N 276.340 -0.259 50 20 CBGD COc1ccc(C(=O)NNC(=O)c2ccc[nH]2)nn1 155047398 UCZISRPQGUCXGA-UHFFFAOYSA-N 261.241 -0.112 50 20 CBGD Cc1cc(C(=O)NNC(=O)CN2CCCC2=O)[nH]n1 194512492 OCKRDGONBAMWKK-UHFFFAOYSA-N 265.273 -0.898 50 20 CBGD C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)CN(C)C 263917620 PQFQOQJZXIJJSI-TVQRCGJNSA-N 293.323 -0.076 50 20 CBGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@H]1CCCO1 270083980 NLAXUHLAXFKNOX-MRVPVSSYSA-N 297.336 -0.196 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNc1nccc(OC)n1 270543247 YRMFVOHBIVKBRL-LURJTMIESA-N 269.261 -0.327 50 20 CBGD O=C(NNC(=O)[C@@]1(O)CCSC1)c1ccc[nH]1 270856164 ZVUMDLMJMWTQFX-SNVBAGLBSA-N 255.299 -0.356 50 20 CBGD O=C(NNS(=O)(=O)c1ccco1)N1CCOCC1 275700495 KLYFKFQCXMRXOO-UHFFFAOYSA-N 275.286 -0.485 50 20 CBGD CNC(=O)NNC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 299264632 VRJOPGYAHBPJIZ-CIUDSAMLSA-N 296.327 -0.490 50 20 CBGD NC(=O)N1CCC[C@H](C(=O)Nc2cccc(B(O)O)c2)C1 404958748 IXZMLPVOXAIXGM-VIFPVBQESA-N 291.116 -0.904 50 20 CBGD CN(C[C@H]1CCCC[C@H]1O)C(=O)c1cccc(B(O)O)c1 584971936 IMSPRPXQGYJYPZ-TZMCWYRMSA-N 291.156 -0.011 50 20 CBGD O=C(NCCCOC(F)F)c1cccc(B(O)O)c1 584987101 HPLWGVVKNKLCBA-UHFFFAOYSA-N 273.044 -0.275 50 20 CBGD CO[C@H]1C[C@H](NCc2ccc(B(O)O)o2)C1(C)C 585026352 MMBBDHKOMFLFMC-UWVGGRQHSA-N 253.107 -0.138 50 20 CBGD OC[C@H](CNCc1ccc(B(O)O)o1)C1CCC1 585039938 CLUILYKASIEJMU-JTQLQIEISA-N 253.107 -0.542 50 20 CBGD CC(C)[C@H](NCc1cccc(B(O)O)c1)c1nncn1C 585040174 GTZQSDQZPDWBLJ-ZDUSSCGKSA-N 288.160 -0.018 50 20 CBGD O=C(NCB(O)O)c1cncn1-c1ccc(F)cc1 585059859 DJHOKADSYMWHJV-UHFFFAOYSA-N 263.037 -0.247 50 20 CBGD CO[C@H](C)CCNC(=O)NNC(=O)C(=O)NC1CC1 726713183 BUOUZXZPRGAPHO-SSDOTTSWSA-N 272.305 -0.980 50 20 CBGD CCOCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 736610335 WXFCLGSLVLBCAK-UHFFFAOYSA-N 290.283 -0.336 50 20 CBGD COC[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 739921085 MKPTZBBYMKHYFL-SECBINFHSA-N 255.318 -0.488 50 20 CBGD CN(C)c1nccc(NNC(=O)C2=COCCO2)n1 740104660 OWGVSGDLFWGOJP-UHFFFAOYSA-N 265.273 -0.126 50 20 CBGD O=C(NN=Cc1ccc(O)cc1O)C(=O)NC1CC1 744817585 KWRFITGDTABJLY-UHFFFAOYSA-N 263.253 -0.174 50 20 CBGD CN(C)C(=O)NNC(=O)Cn1cnc2sccc2c1=O 746007881 GMTZEZJIBWRCRE-UHFFFAOYSA-N 295.324 -0.240 50 20 CBGD CS(=O)(=O)CC1(CC(=O)NNC(=O)c2ccc[nH]2)CC1 746818465 CLPUJYJGVDUKCA-UHFFFAOYSA-N 299.352 -0.009 50 20 CBGD CCc1noc(C)c1C(=O)NNC(=O)C(=O)N1CCCC1 748246706 GHUPQQSFIXLXSK-UHFFFAOYSA-N 294.311 -0.071 50 20 CBGD Cc1nc2n(n1)CCN(CC(=O)NNC(=O)C(C)(C)C)C2 750056839 KGQXKOONOJJGLR-UHFFFAOYSA-N 294.359 -0.404 50 20 CBGD Cn1cc(-c2cccc(C(=O)NNC(=O)CO)c2)cn1 753439073 MXTXDQDJKWUSFP-UHFFFAOYSA-N 274.280 -0.160 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](C)[C@H](C(=O)OC)C1 756008937 STQWGJFQVIPODM-KXUCPTDWSA-N 285.344 -0.327 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNc1ncc(F)cn1 760904969 DVFAVTWNQFBMDS-ZCFIWIBFSA-N 255.253 -0.027 50 20 CBGD C[C@H]1CCCN(C(=O)C(=O)NNC(=O)N2CCOCC2)C1 767778674 CBKLMNJZRQUPRC-JTQLQIEISA-N 298.343 -0.682 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)NC2)n[nH]1 768277341 FHYOILWGXYGBGA-ZETCQYMHSA-N 265.273 -0.995 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CSCC#N 771991339 YALSEPMDVGHDAL-SSDOTTSWSA-N 273.314 -0.268 50 20 CBGD O=C(CO)NNC(=O)COc1ccc([N+](=O)[O-])cc1 777781918 IMQXKSUEEHSCRI-UHFFFAOYSA-N 269.213 -0.887 50 20 CBGD Cc1ccn(C)c1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 784311119 QPCAZZRRSGSHPU-VIFPVBQESA-N 299.352 -0.471 50 20 CBGD Cn1nccc1COCC(=O)NNC(=O)c1cccnc1 785670488 PFZPZFLVQNZQFU-UHFFFAOYSA-N 289.295 -0.207 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc(C(F)(F)F)nn1 788305565 WHDPXBBGCUERFJ-UHFFFAOYSA-N 279.178 -0.360 50 20 CBGD Cc1ccn(C[C@@](C)(O)C(=O)NNC(=O)C(C)C)c(=O)c1 790483426 PAAXWHIZOCYBEQ-CQSZACIVSA-N 295.339 -0.289 50 20 CBGD C[C@H]1COCCC1=NNC(=O)[C@H]1CCS(=O)(=O)C1 794487682 BBKDNDRBJINLJC-IUCAKERBSA-N 274.342 -0.050 50 20 CBGD O=C(Cn1ccccc1=O)NNC(=O)NCc1ccco1 797359580 VAEOUDMBNKWMOQ-UHFFFAOYSA-N 290.279 -0.028 50 20 CBGD C[C@H]1CCNC(=O)[C@H]1NCC(=O)NNC(=O)C(C)(C)C 799346309 ISKSHWZPAALKHC-WPRPVWTQSA-N 284.360 -0.706 50 20 CBGD CN1CCN(C(=O)NNC(=O)C2(C)CCOCC2)CC1 807383553 ZXOXZBMRLHDCQD-UHFFFAOYSA-N 284.360 -0.209 50 20 CBGD CN(C)N(C(=O)COC(F)F)[C@H]1CCS(=O)(=O)C1 808024382 JJOHNMYTHVAKAD-ZETCQYMHSA-N 286.300 -0.282 50 20 CBGD O=C(Cn1nnc(-c2ccccc2)n1)NN=C1COC1 814705340 XZXFELVDYFBMHN-UHFFFAOYSA-N 272.268 -0.158 50 20 CBGD O=C(CNC(=O)c1cc(F)cc(F)c1)NNc1nc[nH]n1 816632731 WNKAHZYYDBNGRL-UHFFFAOYSA-N 296.237 -0.044 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cnn2c1OCCC2 823923961 WJRSBUZWGDYRST-QMMMGPOBSA-N 254.290 -0.377 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccc(-n2cnnn2)cc1 823987018 CRWPVBWVCYTTOG-VIFPVBQESA-N 276.300 -0.380 50 20 CBGD CN1CCC[C@@H]1CNC(=O)NNC(=O)[C@H]1CCCCO1 836345778 MLYYFIBUDPLEOM-GHMZBOCLSA-N 284.360 -0.020 50 20 CBGD C[C@@H]1CCN(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1 842592518 MIXYNXWJQHNYCJ-OPRDCNLKSA-N 291.373 -0.381 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CNCCC1(F)F 843495113 ZOXNACPNQREYJU-SSDOTTSWSA-N 264.276 -0.076 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCN(C)C(=O)C1 843646494 WFILLWKBYYQGKK-GUBZILKMSA-N 283.328 -0.573 50 20 CBGD COC(=O)NCCCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843652072 QUAMZJNMTRHYPU-BDAKNGLRSA-N 287.316 -0.305 50 20 CBGD Cc1ncc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(N)n1 844146915 SHXGUJKBQOGRMD-HTRCEHHLSA-N 279.300 -0.447 50 20 CBGD COC[C@H]1C[C@@H](O)CN1C(=O)/C(C#N)=C\c1cnn(C)c1 846451440 KYZUZDHPSLZMJE-XKFUZFNKSA-N 290.323 -0.065 50 20 CBGD CC[C@@H](C#N)C(=O)NNC(=O)N1CCN(C)CC1 846638419 KJYZNTJOYJNJJF-VIFPVBQESA-N 253.306 -0.476 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@](C)(O)COC 854282566 MCUZPURCAXFPSF-LLVKDONJSA-N 293.389 -0.742 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CCCN(C(C)=O)C1 854928055 NGQLAZVPWHKPHZ-SECBINFHSA-N 272.374 -0.288 50 20 CBGD CCN(CC)C(=O)CCC(=O)NNC(=O)c1cc[nH]n1 855357401 IPTPXZFQGGIAMX-UHFFFAOYSA-N 281.316 -0.181 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CC2(CC2)C1 857116451 GAYNUISIYMRZBF-SSDOTTSWSA-N 289.357 -0.738 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCCCC(F)(F)F)N1 858262245 MIFUAYXOAUVGRI-ZCFIWIBFSA-N 296.249 -0.062 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@H]1CCOC(=O)N1 859303922 XYHQUXSDYIRBRA-SECBINFHSA-N 293.279 -0.045 50 20 CBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)N=c1cc[nH]cc1 861566423 KXWWPSXFCZDHBT-JTQLQIEISA-N 279.300 -0.573 50 20 CBGD C[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)c1cn[nH]c1 862469574 OVOZGLYSGYECQX-ZETCQYMHSA-N 262.273 -0.227 50 20 CBGD COC(=O)[C@]1(C)CCN(C(=O)c2ccc(B(O)O)cc2)C1 863876251 SECBUXGJMLNCTM-CQSZACIVSA-N 291.112 -0.608 50 20 CBGD CON(CC1CCOCC1)C(=O)c1ccc(B(O)O)cc1 863880697 FFKRLYNFXWMLFP-UHFFFAOYSA-N 293.128 -0.203 50 20 CBGD C#CCCCC(=O)NNC(=O)C1(C(=O)NC2CC2)CC1 887143456 ZZTIQOLHEZUWCD-UHFFFAOYSA-N 277.324 -0.004 50 20 CBGD CN(NC(=O)CN1CCNC(=O)C1)C(=O)OC(C)(C)C 909937183 CNNVXADGXCSZSM-UHFFFAOYSA-N 286.332 -0.684 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H](C)[C@H](C)S(C)(=O)=O 910152773 NZIGKVQKUIDGFE-YIZRAAEISA-N 266.363 -0.601 50 20 CBGD C[C@@H](O)CN(C)NC(=O)Cc1ccc(-n2cnnn2)cc1 910172397 BGJWNXBDPHICGM-SNVBAGLBSA-N 290.327 -0.451 50 20 CBGD O=C(CCC1CCOCC1)NNC(=O)CN1CCCC1=O 913731481 KEUMIYPSBXRSQM-UHFFFAOYSA-N 297.355 -0.037 50 20 CBGD CCN(CC)CCC(=O)NNC(=S)NCCOC 916126804 KWKYFPWGJHXABR-UHFFFAOYSA-N 276.406 -0.140 50 20 CBGD CNC(=O)NNC(=O)[C@](C)(O)c1ccc(F)cc1 930583994 DBCDURJOIWWHQO-LLVKDONJSA-N 255.249 -0.007 50 20 CBGD Cc1cc(=O)c(C(=O)NNC(=O)N2CCOCC2)c[nH]1 1116173464 DUSNFVYOGJIPOA-UHFFFAOYSA-N 280.284 -0.630 50 20 CBGD CN1CCCC[C@H]1CNC(=O)c1cc(B(O)O)ccc1F 1120726782 MDBAIPZRMNEJJL-NSHDSACASA-N 294.135 -0.280 50 20 CBGD COCC(=O)NCCC(=O)NNC(=O)c1ccccc1F 1251257103 HWVKJBCBQNLLJW-UHFFFAOYSA-N 297.286 -0.261 50 20 CBGD O=C1NCC[C@H]1C(=O)NNc1nc(-c2ccncc2)no1 1261760688 QMAPUAGOAUMSTQ-MRVPVSSYSA-N 288.267 -0.289 50 20 CBGD COC(=O)C(=O)NNC(=S)NC(C1CC1)C1CC1 1318903172 QNURIQNEHJPLRI-UHFFFAOYSA-N 271.342 -0.157 50 20 CBGD COc1cc(C(=O)NNc2ccc(C(N)=O)nn2)ccn1 1319141715 FLRGFGHPNPPHKM-UHFFFAOYSA-N 288.267 -0.264 50 20 CBGD Cn1ncc([N+](=O)[O-])c1C(=O)NNC(=O)NC1CC1 1320419317 XVDCMMBDMYYJRM-UHFFFAOYSA-N 268.233 -0.565 50 20 CBGD C=CCN1CCC(NC(=O)NNC(=O)C(=O)OC)CC1 1322249123 MPXHJBNLDOYBEM-UHFFFAOYSA-N 284.316 -0.860 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](CN)C1CCCCC1 1325323305 FQDWRWKDZQXZAB-VIFPVBQESA-N 286.332 -0.603 50 20 CBGD O=C(CCO)NNC(=O)Nc1nc2cc(Cl)ccn2n1 1329957567 SUSUNLGYASIIBF-UHFFFAOYSA-N 298.690 -0.082 50 20 CBGD COc1ccnc(NNC(=O)CCc2nc[nH]n2)n1 1339983727 QBVBDADJGWOEEQ-UHFFFAOYSA-N 263.261 -0.321 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@H](N)C(C)(C)C 1575697185 BKTRMYTZFURRLT-QMMMGPOBSA-N 272.349 -0.578 50 20 CBGD NCCN1CCC[C@H](C(=O)NNc2ncncc2F)C1=O 1580311251 MFTPAYWXYCTKTP-MRVPVSSYSA-N 296.306 -0.744 50 20 CBGD CC[C@@H](C(=O)O)C(=O)NNc1cc(C)nc(N)n1 1594755378 IFLBKHSAKJWUPV-ZCFIWIBFSA-N 253.262 -0.079 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2CC[C@H]2C(=O)O)n1C 1600798739 YBJZXQQTNNTWQY-NKWVEPMBSA-N 253.262 -0.323 50 20 CBGD Cc1cnn(CCC(=O)NNC(=O)C(=O)NC(C)C)c1 48824091 ZNBCGFHDBQZXHO-UHFFFAOYSA-N 281.316 -0.746 50 20 CBGD CCNC(=O)NNC(=S)NCCCN1CCOCC1 64937096 FXJHLDHUQWLQDF-UHFFFAOYSA-N 289.405 -0.593 50 20 CBGD CN(CC#N)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 68972912 DJZMXZCKBQGZBB-UHFFFAOYSA-N 291.267 -0.189 50 20 CBGD CN1C[C@H](C(=O)NNC(=O)Cc2ccccc2F)CC1=O 108974075 NUQVEEXVIXAZBT-SNVBAGLBSA-N 293.298 -0.006 50 20 CBGD Cc1cc(C(=O)NNC(=O)CN(C)[C@H]2CCSC2)[nH]n1 157909839 ZQLFCSRMTNGKJG-VIFPVBQESA-N 297.384 -0.084 50 20 CBGD CN(CC(=O)NNc1ccccn1)S(C)(=O)=O 181213607 AWVOXVHYKMJWDP-UHFFFAOYSA-N 258.303 -0.584 50 20 CBGD NNC(=O)CCNS(=O)(=O)/C=C\c1ccccc1 255105084 JEKXCFBCDXOBIH-CLFYSBASSA-N 269.326 -0.043 50 20 CBGD COC(=O)NCC(=O)NNC(=O)CNc1ccc(C)cc1 263983688 COOJVZRGLLZRLD-UHFFFAOYSA-N 294.311 -0.090 50 20 CBGD COC(=O)CC[C@H](N)C(=O)NNc1nc(C)cc(OC)n1 288747953 MYOCPDZKYRCRCU-QMMMGPOBSA-N 297.315 -0.483 50 20 CBGD CCOC(=O)NCC(=O)NNC(=O)c1ccncc1 299207679 ALSNHCXNASORAU-UHFFFAOYSA-N 266.257 -0.411 50 20 CBGD CC(C)NC(=O)NNC(=O)C1=NN(C)C(=O)CC1 299302717 OIVJALKSSIYFIV-UHFFFAOYSA-N 255.278 -0.667 50 20 CBGD C[C@H](C[S@@](C)=O)N(C)Cc1cccc(B(O)O)c1 399914435 CBOMMHFRPYZZDL-MLCYQJTMSA-N 269.175 -0.435 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1CCc2c[nH]nc2C1 584912060 KUKMWSAQKQOAFY-VIFPVBQESA-N 285.112 -0.167 50 20 CBGD O=C(NC1CCN(C2CC2)CC1)c1ccc(B(O)O)cc1 584927391 CEWSXTCBVWWAAE-UHFFFAOYSA-N 288.156 -0.277 50 20 CBGD N#CC1(NC(=O)c2ccc(B(O)O)c(F)c2)CCC1 584935852 ZSTPAVZMYWSLDW-UHFFFAOYSA-N 262.049 -0.318 50 20 CBGD C[C@@H](NC(=O)c1cccc(B(O)O)c1)[C@@H](C)n1cncn1 584944527 RGZCELUITZEWPO-NXEZZACHSA-N 288.116 -0.663 50 20 CBGD C[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)[C@H](C)CN1C 584970402 YRMVPCPYKSGTBY-GHMZBOCLSA-N 276.145 -0.469 50 20 CBGD C[C@H](NC(=O)c1ccc(B(O)O)cc1)C1=CCN(C)CC1 584971851 GBTANEXQFWQPIL-NSHDSACASA-N 288.156 -0.253 50 20 CBGD CN(C)C[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584972273 RSNBFVAMKFYNAP-NSHDSACASA-N 276.145 -0.610 50 20 CBGD O=C(NC1(c2nc[nH]n2)CCC1)c1cccc(B(O)O)c1 584979742 CZLJSCZAUNRUCR-UHFFFAOYSA-N 286.100 -0.706 50 20 CBGD Cn1nc(NC(=O)c2ccc(B(O)O)cc2)cc1C1CC1 584991096 ACZZMSVSGZRCFE-UHFFFAOYSA-N 285.112 0.230 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2CCO[C@@H]2C1 584997418 GHSHTZLETJHEKZ-CMPLNLGQSA-N 261.086 -0.773 50 20 CBGD CN1CCC[C@@H]1CCNC(=O)c1cccc(B(O)O)c1 585006754 HNSHIIOYIXHAQV-CYBMUJFWSA-N 276.145 -0.420 50 20 CBGD C[C@@H]1OCC[C@@H]1NCc1ccc(B(O)O)cc1F 585032610 XBCPOFIPIBZFAQ-UFBFGSQYSA-N 253.082 -0.228 50 20 CBGD C/C=C/C[C@H](CO)NCc1ccc(B(O)O)cc1F 585035948 APAFKFJAYLGHNA-QAVQXKDTSA-N 267.109 -0.078 50 20 CBGD COCCn1cc(CNCc2ccc(B(O)O)o2)cn1 585041925 IOYIIPNSOHBHID-UHFFFAOYSA-N 279.105 -0.908 50 20 CBGD O=C(NCB(O)O)c1csc(C(F)(F)F)n1 585062403 HAZABPOCDBGRCO-UHFFFAOYSA-N 253.998 -0.096 50 20 CBGD CCn1cnc2c(N3CC[C@@H](B(O)O)C3)ncnc21 585072346 ABOANTYZUMWOAQ-MRVPVSSYSA-N 261.094 -0.101 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cnc[nH]1 725902346 LIPOSGVTXCTEOG-UHFFFAOYSA-N 277.240 -0.806 50 20 CBGD CC(C)NC(=O)CNC(=S)NNC(=O)c1ccc[nH]1 727272303 MJWXETQLDYGONJ-UHFFFAOYSA-N 283.357 -0.352 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)CCCO1 733194651 FJQWKPMNJYDOPL-VIFPVBQESA-N 255.318 -0.345 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2CCC(=O)NC2)n1 746631299 WUFSACIASJULOM-QMMMGPOBSA-N 279.300 -0.237 50 20 CBGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1nccn1C 755665271 UFYYMVOQBPFNOV-VIFPVBQESA-N 299.356 -0.370 50 20 CBGD CCC(=O)NNC(=O)Nc1cnc(OC)c(C(N)=O)c1 757691222 DVWWRMRFOPIKSM-UHFFFAOYSA-N 281.272 -0.248 50 20 CBGD CC(C)C(=O)NNC(=O)[C@H]1CCCCS1(=O)=O 771886413 XOXDAQRJHAIDPV-MRVPVSSYSA-N 262.331 -0.243 50 20 CBGD CC(=O)NCC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C 771889353 KAEBGWZNFDEAFV-QMMMGPOBSA-N 287.316 -0.752 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1CCOCC1 771948293 KLEGVICGNVHPBB-MRVPVSSYSA-N 272.301 -0.098 50 20 CBGD Cn1ccnc(NNC(=O)[C@H]2CCCCO2)c1=O 772472044 MBHWTUAMHZDGJM-MRVPVSSYSA-N 252.274 -0.208 50 20 CBGD CCc1nc(C(=O)NNC(=O)N2CCOCC2)co1 772581870 RQWBBTUCWDYIMS-UHFFFAOYSA-N 268.273 -0.076 50 20 CBGD CNS(=O)(=O)CC(=O)NCCCSC#N 773589514 XFVYHZTWFWPMNE-UHFFFAOYSA-N 251.333 -0.744 50 20 CBGD C=CCNC(=O)CNC(=O)NNC(=O)Cc1cccnc1 776907338 LNMXUGSDFOEYPL-UHFFFAOYSA-N 291.311 -0.743 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CO)cc1S(C)(=O)=O 777781763 FOISHNRBJUWFHB-UHFFFAOYSA-N 286.309 -0.848 50 20 CBGD CCc1nn(C)cc1C(=O)NNC(=O)N1CCN(C)CC1 807379684 BIDIFMPJLORGHQ-UHFFFAOYSA-N 294.359 -0.416 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1ccc(C#N)o1 808081973 UQLXAACMMKTKFR-UHFFFAOYSA-N 258.259 -0.336 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCOCC(F)(F)C1 808784284 DKPNDLAAWSPTLB-MRVPVSSYSA-N 279.287 -0.100 50 20 CBGD NS(=O)(=O)C1(C(=O)NNc2ccccc2)CC1 816840594 UYGGWXYEFIJSKM-UHFFFAOYSA-N 255.299 -0.049 50 20 CBGD CN(NC(=O)CCN1CCCS1(=O)=O)C1CC1 819647894 SVNJAWKSYNOQBM-UHFFFAOYSA-N 261.347 -0.463 50 20 CBGD C[C@H](O)CN(C)NC(=O)/C=C/CN1CCOCC1 821218098 UQPXFCHAPIZDTF-UFFNRZRYSA-N 257.334 -0.781 50 20 CBGD O=C(NCCc1cccs1)NNC(=O)[C@@H]1CCNC1=O 823809705 AMBCJIUKASGJSS-SECBINFHSA-N 296.352 -0.243 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@]12CCC(=O)N1CCS2 823976749 IRSIOZZUGGNYPO-KWQFWETISA-N 273.358 -0.604 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CN1CCCC1 824016793 RYTATIUXSBIVTN-NXEZZACHSA-N 255.318 -0.345 50 20 CBGD C[C@@H](CC(=O)O)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 827247729 PXPYFWZLSTUCAA-DTWKUNHWSA-N 292.357 -0.411 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCN(C)C(=O)[C@H]1C 827272858 CTHOVEJBHJIONR-KXUCPTDWSA-N 298.343 -0.685 50 20 CBGD COCCOCCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843646811 KCGYOAZWYKENHO-UWVGGRQHSA-N 274.317 -0.388 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)N1CCOCC1 843970792 LGRRBEQWRPVCKU-GHMZBOCLSA-N 299.371 -0.330 50 20 CBGD CC[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)[C@@H](C)O 844146419 MXAAUZCXBABFLB-DOLQZWNJSA-N 258.318 -0.034 50 20 CBGD O=C(CN1CC[C@H](N2CCOC2=O)C1)NNC(=O)C1CC1 852437193 VGIHXOFHIQXWFZ-JTQLQIEISA-N 296.327 -0.930 50 20 CBGD NC(=O)C1(C(=O)NNc2ncc(Cl)cn2)CC1 857356222 GVDVLKWKFXFNCS-UHFFFAOYSA-N 255.665 -0.161 50 20 CBGD CO[C@@H](C)[C@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858380594 FTCJPTUFMDCYRA-BIIVOSGPSA-N 272.305 -0.981 50 20 CBGD C[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCS1 858694823 AZPQMOWAMSVZQY-HTQZYQBOSA-N 286.357 -0.557 50 20 CBGD Cc1cc(=NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc[nH]1 860848236 YPFIVQDEWPPCJO-VIFPVBQESA-N 277.284 -0.757 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](C)[C@H]1CCC(=O)N1 862095841 QJCUORSTRZGKJK-XFWSIPNHSA-N 283.328 -0.527 50 20 CBGD CC[C@@](C)(OC)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862460112 ZYZXWBNCHFKROR-RDDDGLTNSA-N 257.290 -0.773 50 20 CBGD CON1CCC(=NNC(=O)CS(C)(=O)=O)CC1 863186298 VVUILGCRBDXWFZ-UHFFFAOYSA-N 263.319 -0.840 50 20 CBGD CC(=NNC(=O)CN1CCCC1=O)c1cn(C)cn1 872335835 XFXQTODRPIEBEH-UHFFFAOYSA-N 263.301 -0.117 50 20 CBGD Cc1cc(=NNC(=O)NC[C@H]2CCCNC2=O)cc[nH]1 875664391 OEAFPTLWJDLYPE-SNVBAGLBSA-N 277.328 -0.036 50 20 CBGD CCC1(C(=O)NNC(=O)C2CCOCC2)COC1 883065174 CFDWOESSTXSNTG-UHFFFAOYSA-N 256.302 -0.013 50 20 CBGD CC1=C(C(=O)NN(C)C[C@H](C)O)[C@@H](C)n2nnnc2N1C 910144806 NIXZIKDBBAKMAG-IONNQARKSA-N 295.347 -0.698 50 20 CBGD C[C@H](O)CN(C)NC(=O)CCCCN1CCOCC1 910151968 HWSRQDUIJKMLIJ-LBPRGKRZSA-N 273.377 -0.167 50 20 CBGD Cc1ncc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1C 911505865 XLXRPCZUXKYMAT-IONNQARKSA-N 266.301 -0.085 50 20 CBGD CCNC(=O)NNC(=O)[C@@H](C)OC[C@@H]1CCCO1 921030990 XIKXMCGKIXKSAU-BDAKNGLRSA-N 259.306 -0.079 50 20 CBGD CNC[C@H](C)NC(=O)NNc1nc(O)c2cnn(C)c2n1 1118482883 SCYIPGHPJRTYRU-LURJTMIESA-N 294.319 -0.697 50 20 CBGD CCCNC(=O)[C@@H](C)NC(=O)NNC(=O)c1cn[nH]c1 1122105266 PDJKDJOTHPWJRF-SSDOTTSWSA-N 282.304 -0.732 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1cccnc1 1318568221 CFAJKXIFVHRYAB-UHFFFAOYSA-N 264.285 -0.704 50 20 CBGD NC(=O)c1nccnc1C(=O)NNC(=O)C1CCCC1 1318912171 NKLRVIYAIIGRGF-UHFFFAOYSA-N 277.284 -0.473 50 20 CBGD O=C(NNC(=O)[C@H]1CC12CCC2)[C@@H]1CCS(=O)(=O)C1 1319110095 SWUYEXUZAHAQIO-RKDXNWHRSA-N 286.353 -0.241 50 20 CBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)c2ccccn2)nn1 1319720208 VFWGUDODUCJLNJ-MRVPVSSYSA-N 290.283 -0.812 50 20 CBGD CN1C[C@H](NC(=O)NNc2nncc(N)c2Cl)CC1=O 1319794638 ZYZNPGZHEDTTRC-RXMQYKEDSA-N 299.722 -0.431 50 20 CBGD Cn1c(C(=O)NNC(=O)NCC(F)(F)F)cccc1=O 1321298394 AXMMEDTXWQCULU-UHFFFAOYSA-N 292.217 -0.108 50 20 CBGD CC(C)(C(=O)NNC(=O)C(=O)NC1CC1)C1CCOCC1 1325014191 DTFOYQHOTOPESN-UHFFFAOYSA-N 297.355 -0.135 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)COCc1ccncc1 1326049200 XQTKFLLCFWUEGY-UHFFFAOYSA-N 294.311 -0.730 50 20 CBGD C[C@@H](C(=O)O)C(=O)NNc1nncc(N)c1Cl 1326389848 DNBPQWBSBSCAOZ-GSVOUGTGSA-N 259.653 -0.124 50 20 CBGD C[C@H](CO)N(C)NC(=O)CSc1cccc[n+]1[O-] 1329861156 FHAKGQJOOCRHDO-SECBINFHSA-N 271.342 -0.244 50 20 CBGD O=C(NNC(=O)C(=O)N1CCCC1)Nc1ccccn1 1338089364 NUECVGJWQZSGSJ-UHFFFAOYSA-N 277.284 -0.143 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCn2cncc2C1 1341363819 XUBLTGHWKOURFX-SECBINFHSA-N 265.317 -0.846 50 20 CBGD CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cnnn1C 1343881755 JBYRAASFXQTRLJ-QMMMGPOBSA-N 285.329 -0.910 50 20 CBGD O=C(NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1cccnn1 1349575752 WLBCQZSGXNEHLF-SZEHBUNVSA-N 262.269 -0.337 50 20 CBGD COCCOCC(=O)NNC(=O)/C=C/c1nccs1 1521707831 FMJZBOQCLUYCEA-NSCUHMNNSA-N 285.325 -0.033 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@]2(CN)CCCOC2)n1 1579145909 DXAZGSGXENSHEK-CYBMUJFWSA-N 295.343 -0.008 50 20 CBGD C[C@H](CC(=O)O)NC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1589001572 MPRQPXSUQLQGSC-FNCVBFRFSA-N 285.300 -0.253 50 20 CBGD CC[C@@H](CNC(=O)NNC(=O)C1CCOCC1)C(=O)O 1589538755 MGEYQFUDOFBYIB-QMMMGPOBSA-N 287.316 -0.146 50 20 CBGD O=C(NNC(=O)c1coc(-c2nn[nH]n2)c1)c1ccncc1 1593159437 MTGQVIPQTBTVKY-UHFFFAOYSA-N 299.250 -0.071 50 20 CBGD CCNC(=O)N(C)NC(=O)Nc1cc(C(=O)O)nn1C 1596463180 SBEQAKJUHOZQLE-UHFFFAOYSA-N 284.276 -0.184 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCNC(=O)[C@@H]1CC(=O)O 1605618084 FGEQDQZDOXUCHC-FLOXNTQESA-N 281.268 -0.768 50 20 CBGD Cc1[nH]c(C(=O)NNC(=O)C(C)(C)O)c(C)c1C(=O)O 1607492324 OSIBAEIFXDSWAB-UHFFFAOYSA-N 283.284 -0.138 50 20 CBGD O=C(O)C[C@H]1CS(=O)(=O)CCN1C(=O)CCl 1608703356 SJYPNCGLFLQHHL-LURJTMIESA-N 269.706 -0.675 50 20 CBGD C[C@H](OC(=O)/C(C#N)=C/C1CC1)C(=O)NCC(=O)O 1609792445 WYGMOYCWDHGLRS-FGROQZRYSA-N 266.253 -0.021 50 20 CBGD CCOC(=O)/C(C#N)=C/NNC(=O)c1cnccn1 23608051 PONLVZJRCHWFQL-SOFGYWHQSA-N 261.241 -0.318 50 20 CBGD CCOC(=O)/C(C#N)=C/NCCCN(C)S(C)(=O)=O 32585092 FAJDFGFMIZGKKA-MDZDMXLPSA-N 289.357 -0.172 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc2oc(=O)ccc2c1 48962118 RRJFMXKGCHLYOJ-UHFFFAOYSA-N 297.292 -0.085 50 20 CBGD COC(=O)NCC(=O)NNC(=O)NC1CCCC1 49430826 QIRUSXYIMDIAIL-UHFFFAOYSA-N 258.278 -0.385 50 20 CBGD O=C(NNC(=O)c1ccoc1)N[C@H]1CCS(=O)(=O)C1 126049333 LZTSXGSADDADEN-QMMMGPOBSA-N 287.297 -0.589 50 20 CBGD C[C@@H]1OCCN(CC(=O)NNC(=O)C2CC2)[C@H]1C 139206140 PKDFVOQSEGQBFJ-IUCAKERBSA-N 255.318 -0.347 50 20 CBGD CCOc1ccc(C(=O)NCC(=O)NNC(=O)NC)cc1 139307706 YBEGAGFXCLLGLS-UHFFFAOYSA-N 294.311 -0.225 50 20 CBGD Cn1ncc(C(=O)NNC(=O)C(=O)NC2CC2)c1C1CC1 139654725 XSAKANRXTHFGDT-UHFFFAOYSA-N 291.311 -0.663 50 20 CBGD COCCCN(C)CCNC(=O)NNC(=O)c1ccc[nH]1 175736079 PQMQAEQQPAENND-UHFFFAOYSA-N 297.359 -0.073 50 20 CBGD Cn1cnc(CNS(=O)(=O)CCCCl)n1 236088728 NYDNYMKYILTGHZ-UHFFFAOYSA-N 252.727 -0.137 50 20 CBGD CNC(=O)CCCNC(=O)NNc1ccc(C)nn1 264427347 WBIVOQLGOHNNJV-UHFFFAOYSA-N 266.305 -0.063 50 20 CBGD CC(C)CC(=O)NNC(=O)N[C@@H]1CCN(C)C1=O 265660329 AXBNNWNKRWOXCR-MRVPVSSYSA-N 256.306 -0.406 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@@H]1CN(C)CCO1 266867251 WCOBLGPBXSMYOZ-LBPRGKRZSA-N 293.323 -0.213 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CC(=O)N(CC)C1 272716719 YYIRSMOJTRIPJI-MRVPVSSYSA-N 256.306 -0.453 50 20 CBGD C[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)[C@@H](C)CO1 584927370 GQFQRAKQZOKJRY-IUCAKERBSA-N 281.092 -0.245 50 20 CBGD O=C(NCCOCC1CC1)c1cccc(B(O)O)c1 584943150 GIHXFIQANYBKFB-UHFFFAOYSA-N 263.102 -0.477 50 20 CBGD CC(C)(C)C(=O)NCCNC(=O)c1ccc(B(O)O)cc1 584956303 UYRYFDPBVRJATA-UHFFFAOYSA-N 292.144 -0.742 50 20 CBGD COC[C@H](C)CN(C)C(=O)c1cccc(B(O)O)c1 584960741 MTYLFNVYVNTDBF-SNVBAGLBSA-N 265.118 -0.279 50 20 CBGD C[C@@H]1C[C@H](NC(=O)c2cc(B(O)O)ccc2F)CC[C@H]1O 585007334 WWXRVRGTCCSQBR-ZDSQKVDBSA-N 295.119 -0.215 50 20 CBGD Cc1nc(CCNCc2ccc(B(O)O)cc2)n[nH]1 585033626 IAGQZGXIBLSLCA-UHFFFAOYSA-N 260.106 -0.875 50 20 CBGD CCO[C@@H]1C[C@](CO)(NCc2ccc(B(O)O)o2)C1(C)C 585036539 ICNCFJMLJOYFES-BXUZGUMPSA-N 297.160 -0.385 50 20 CBGD NC(=O)[C@H]1CC[C@H](CNCc2ccc(B(O)O)o2)CC1 585048488 QSYOLJOLFFZTMC-MGCOHNPYSA-N 280.133 -0.659 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)c2ccccn2)CCC1 729257875 VPWQKALMXFTIBG-UHFFFAOYSA-N 262.269 -0.502 50 20 CBGD Cn1cc(C(=O)NNC(=O)COC[C@@H]2CCCO2)cn1 735446459 YXDZPBHKNCUBFA-JTQLQIEISA-N 282.300 -0.623 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2C[C@@H]2C(=O)O)n1 738369702 PUVBZGKZHYXSSO-IUCAKERBSA-N 280.284 -0.632 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=S)NC1CC1 740771802 BNAUUMKRTMGHFJ-UHFFFAOYSA-N 272.374 -0.051 50 20 CBGD COCCOCC(C)=NNC(=O)[C@@H](C)NS(C)(=O)=O 741164380 JDGSAKYHMGTPIK-SECBINFHSA-N 295.361 -0.921 50 20 CBGD Cn1cc(C(=O)NNc2cccc(F)c2)c(=O)n(C)c1=O 748089079 AOZXLIWHJGCKFO-UHFFFAOYSA-N 292.270 -0.020 50 20 CBGD CC(=O)NC(C)(C)C(=O)NNC(=O)c1cc(C)[nH]n1 763121214 ZHFXLWVPOPYXTJ-UHFFFAOYSA-N 267.289 -0.606 50 20 CBGD CCCc1ccccc1NC(=O)C(=O)NNC(=O)CO 764421552 MJDMTUNDLGLLJN-UHFFFAOYSA-N 279.296 -0.283 50 20 CBGD C[C@@H](O)c1cn(CC(=O)NN=c2cc[nH]cc2Cl)nn1 768448932 SWEUMQJWXJGTOW-SSDOTTSWSA-N 296.718 -0.055 50 20 CBGD Cc1nc2ccccc2c(=O)n1CC(=O)NN(C)C(N)=O 778415277 CVCFRMDGRWRMII-UHFFFAOYSA-N 289.295 -0.253 50 20 CBGD COCCn1cc(C(=O)NNC(=O)NC2CC2)c(C)n1 782550867 SWHSLPHFLZVMSS-UHFFFAOYSA-N 281.316 -0.056 50 20 CBGD CCNC(=O)NNC(=O)[C@H](OC)c1cnn(C)c1 798930841 BGNWHQLGROBTIE-MRVPVSSYSA-N 255.278 -0.542 50 20 CBGD C=CCC(F)(F)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 814802242 XYNPAXWEMGFAPV-SSDOTTSWSA-N 296.295 -0.220 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C[C@H]1CCCOC1 814835728 ZWEYKMOFVYPOSI-DTWKUNHWSA-N 277.346 -0.547 50 20 CBGD CN1C[C@H](C(=O)NNC(=S)NCC2CCC2)CC1=O 819036763 GVNLSYPOVFMPBR-SECBINFHSA-N 284.385 -0.240 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@H]1CC(=O)N(C)C1)C1CC1 819037857 YSHWXPJEVOTTJN-CBAPKCEASA-N 284.385 -0.242 50 20 CBGD CCN(CCO)NC(=O)Cn1cc(C(=O)OC)cn1 823898365 VNZUJIVVWRCVTP-UHFFFAOYSA-N 270.289 -0.985 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1COCCN1CC(F)(F)F 823927845 HLTQGFUHROTOSC-RKDXNWHRSA-N 299.293 -0.407 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H](c1cncn1C)N(C)C 823929441 YLVZQWWLUWUBHG-GXSJLCMTSA-N 269.349 -0.633 50 20 CBGD Cc1nn(C)c(C)c1CC(=O)NN(C)[C@H](C)CO 823977501 YMQNPLWANBCAQI-MRVPVSSYSA-N 254.334 -0.077 50 20 CBGD C[C@H](CO)N(C)NC(=O)CNC(=O)c1cccs1 823992766 AMBXNCPJZPBLJC-MRVPVSSYSA-N 271.342 -0.178 50 20 CBGD CCn1ccc(NC(=O)NNC(=O)CN(C)C)n1 824943399 NAFLFFOVRHJUKN-UHFFFAOYSA-N 254.294 -0.383 50 20 CBGD CCN1C[C@H](C(=O)NNC(=O)[C@H]2CCCCO2)CC1=O 833256552 OQVFJFSCIXWGIW-NXEZZACHSA-N 283.328 -0.429 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@](C)(CN)C1 843382972 UOABKGHZACIXQA-SKDRFNHKSA-N 256.350 -0.397 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ncccn1 843651956 QGRJRBIXSXGMBY-YUMQZZPRSA-N 250.258 -0.337 50 20 CBGD Cc1cnc(S(C)(=O)=O)nc1C(=O)NN(C)C1CC1 854984890 JDYQRZLYLXVNCN-UHFFFAOYSA-N 284.341 -0.072 50 20 CBGD C=CCCO[C@H](C)C(=O)NNC(=O)CS(C)(=O)=O 863460510 AMMOPJLBUFCFLU-MRVPVSSYSA-N 278.330 -0.840 50 20 CBGD COC(=O)C(C)(C)CNCc1cccc(B(O)O)c1 863889269 XDKLNCPSAPYHKY-UHFFFAOYSA-N 265.118 -0.345 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H](CCO)C1 866805943 CIDLHFUKNVMIOU-NSHDSACASA-N 277.129 -0.399 50 20 CBGD O=C1NCCC[C@H]1C(=O)NNc1ncncc1F 868540058 FTCYQRSIWNZTPO-ZCFIWIBFSA-N 253.237 -0.415 50 20 CBGD O=C(CN1CCOCC1)NNc1ccc(F)cn1 874649229 KRJOKZXICFYFIX-UHFFFAOYSA-N 254.265 -0.004 50 20 CBGD CCOc1cnc(C(=O)NN(C)C[C@H](C)O)cn1 910161610 WWTDXSOMOBROLU-QMMMGPOBSA-N 254.290 -0.167 50 20 CBGD C[C@H](O)CN(C)NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 910183919 UTPRFMIAXHWMQT-GARJFASQSA-N 297.355 -0.495 50 20 CBGD CC(=O)NNC(=O)c1cc2c(=O)n3ccccc3nc2n1C 919405284 GQNAUSFCOWYAMQ-UHFFFAOYSA-N 299.290 -0.033 50 20 CBGD Cc1nnc(NNC(=O)c2n[nH]c3c2CCC3)nc1O 1115853102 ILFGENNVFSJGSP-UHFFFAOYSA-N 275.272 -0.146 50 20 CBGD Cc1nc(CC(=O)NNC(=O)CS(C)(=O)=O)cs1 1118953359 DILOKIBQLMCPQZ-UHFFFAOYSA-N 291.354 -0.814 50 20 CBGD CC(=O)N1CC[C@@](C)(C(=O)N2CC[C@@H](B(O)O)C2)C1 1118976707 ZAJQKEJSGHVNTG-ZYHUDNBSSA-N 268.122 -0.680 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cn(C)nc1CC 1255513086 QMAHYDSFSHWHDT-UHFFFAOYSA-N 296.331 -0.387 50 20 CBGD COCc1nocc1C(=O)NNC(=O)c1cc(C)[nH]n1 1261219263 XWYLTYVMPKQJOI-UHFFFAOYSA-N 279.256 -0.073 50 20 CBGD C=CCCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1318165975 FMJGMNSXZJIJHS-MRVPVSSYSA-N 275.330 -0.530 50 20 CBGD CCn1nc(C(=O)NNc2ncc(F)cn2)ccc1=O 1319646241 KAEMBJDEBPRTET-UHFFFAOYSA-N 278.247 -0.051 50 20 CBGD Cn1cc(S(=O)(=O)NNC(=O)Cc2cccnc2)cn1 1326381600 SMEVTRXIXGESOG-UHFFFAOYSA-N 295.324 -0.633 50 20 CBGD C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1cnnn1C 1327873624 ILAVKFFQABHGIL-RKDXNWHRSA-N 269.305 -0.158 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2c[nH]cc(Cl)c2=O)N1 1331807342 QWCUBGUFEURELD-ZETCQYMHSA-N 298.686 -0.932 50 20 CBGD Cn1ccnc(NNC(=O)c2cccc(C(N)=O)c2)c1=O 1339892199 OQOIMMPJBLGWCV-UHFFFAOYSA-N 287.279 -0.364 50 20 CBGD C[C@H](N)c1nc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cs1 1576176133 SDRSJPHLCHPIAF-WDSKDSINSA-N 297.340 -0.798 50 20 CBGD C[C@]1(C(=O)NNC(=O)Cc2ccsc2)C[C@@H](O)CN1 1576351092 WBMUFZMJNYPOPW-BXKDBHETSA-N 283.353 -0.449 50 20 CBGD CCc1noc(CCCC(=O)NNC(=O)CCCN)n1 1578336435 OUIHFVHETCYOTC-UHFFFAOYSA-N 283.332 -0.159 50 20 CBGD COC[C@H](N)C(=O)NNC(=O)c1ccc(OC)cc1 1579087036 UOQOZAUWDBGXGM-JTQLQIEISA-N 267.285 -0.570 50 20 CBGD O=C(NNC(=O)[C@@H]1CCN1)c1ccncc1Cl 1580735911 HOHRVPMFYVXCMP-QMMMGPOBSA-N 254.677 -0.142 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccc(C(=O)O)nc1 1589152268 MGQBOZXGCNPYFY-SSDOTTSWSA-N 253.258 -0.263 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccc(-c2nn[nH]n2)cc1 1589882175 KKMBGXXUOUROAI-QMMMGPOBSA-N 276.300 -0.176 50 20 CBGD O=C(NNC(=O)C1CCC1)c1cccc(-c2nn[nH]n2)n1 1593157864 HVQBUTBGBJPBJW-UHFFFAOYSA-N 287.283 -0.177 50 20 CBGD Cc1cc(NC(=O)NNC(=O)CO)ccc1C(=O)O 1594323279 SMNKTKZIVGKXHE-UHFFFAOYSA-N 267.241 -0.162 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnc(C(=O)O)c1 1594645218 QJZOGXUOGALNRT-CBAPKCEASA-N 293.279 -0.034 50 20 CBGD C[C@]1(C(=O)NNC(=O)C23CC(C(=O)O)(C2)C3)CCCO1 1604487089 BLZIBSCWIDOMIP-PNESKVBLSA-N 282.296 -0.042 50 20 CBGD CNC(=O)NNC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 1606280318 BPMHKXOHYBALBN-UHFFFAOYSA-N 282.212 -0.133 50 20 CBGD CNC(=S)NNC(=O)c1ccc(-n2cnnn2)cc1 7679053 JSABZZUDTQMMLX-UHFFFAOYSA-N 277.313 -0.599 50 20 CBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccs1 7958407 BJFKLJFQCFBQHI-ZETCQYMHSA-N 288.350 -0.056 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CCCO1 43108785 VPKVOHVBBNDSBQ-VIFPVBQESA-N 281.268 -0.664 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)[C@H]1COCCO1 55355342 FBQALSZSBIZKIP-GFCCVEGCSA-N 294.307 -0.200 50 20 CBGD CNC(=O)CN(C)S(=O)(=O)CBr 126649672 AYVPFOQVIUTRNS-UHFFFAOYSA-N 259.125 -0.654 50 20 CBGD COCCCNC(=O)NNC(=O)C(=O)Nc1ccccc1 139575114 MGWQVNIRZDPWIX-UHFFFAOYSA-N 294.311 -0.008 50 20 CBGD COC(=O)N[C@H](C(=O)NNC(=O)N(C)C)C(C)C 264477653 PJNVJQKPFOMGLV-ZETCQYMHSA-N 260.294 -0.331 50 20 CBGD NC(=O)c1ccc(NNC(=O)C[C@H]2CCCCO2)nn1 268231279 LBARENNXCJKSOO-MRVPVSSYSA-N 279.300 -0.022 50 20 CBGD CNC(=O)NNC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C 274158403 DVBVIVUGDFLULW-YFKPBYRVSA-N 284.238 -0.350 50 20 CBGD CO[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)C1CC1 279434819 DVHJUVGMSQVCNH-VIFPVBQESA-N 269.301 -0.819 50 20 CBGD COC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)Cc1ccncc1 286149867 OTOXYDFHLNICND-WDEREUQCSA-N 291.307 -0.029 50 20 CBGD C[C@@H]1CC(=O)N[C@H](C(=O)NNC(=O)CC2CC2)C1 293998624 AJQMLNPJOLRMMK-CBAPKCEASA-N 253.302 -0.151 50 20 CBGD COC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)CC2CC2)O1 294224187 RAXGSRQZJRUIBB-DTWKUNHWSA-N 270.285 -0.346 50 20 CBGD CCN1CCO[C@@H](C(=O)NNC(=O)Cc2cccnc2)C1 369928731 VPJKFOZIESPRCW-GFCCVEGCSA-N 292.339 -0.508 50 20 CBGD COC(=O)N(C)NC(=O)c1cc([N+](=O)[O-])cnc1N 496790402 BIVGJSJQLBPAAN-UHFFFAOYSA-N 269.217 -0.085 50 20 CBGD CC(C)(C)n1nnc(COc2ccc(B(O)O)cc2)n1 584910094 MPBJIPRBXZFZOL-UHFFFAOYSA-N 276.105 -0.313 50 20 CBGD NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1ccc(B(O)O)cc1 584961328 QPDRWOUIBQUSHP-NWDGAFQWSA-N 290.128 -0.860 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 584972835 HVINRNDCDUGUGU-DRZSPHRISA-N 275.113 -0.791 50 20 CBGD COCC1(C)CN(C(=O)c2cc(B(O)O)ccc2F)C1 584982213 FUWDPPUYJUZKJE-UHFFFAOYSA-N 281.092 -0.386 50 20 CBGD C[C@@H]1CC[S@@](=O)CCN1C(=O)c1ccc(B(O)O)cc1 584984188 YIVPISWYSARQAT-CFMSYZGJSA-N 295.169 -0.651 50 20 CBGD O=C(NC[C@H](CO)C1CC1)c1ccc(B(O)O)c(F)c1 584990917 OCNDVOLRNCPTTP-SNVBAGLBSA-N 281.092 -0.746 50 20 CBGD C[C@H](NC(=O)c1cccc(B(O)O)c1)C1(CO)CC1 585006270 KIOSNTNFMZODKN-VIFPVBQESA-N 263.102 -0.743 50 20 CBGD C[C@@H]([C@@H](C)NCc1ccccc1B(O)O)n1cncn1 585019553 CRFLRZONQFGMTA-MNOVXSKESA-N 274.133 -0.303 50 20 CBGD CC[C@@H](C)NC(=O)CCNCc1ccc(B(O)O)cc1 585020777 IUSSLKPOUDIAJW-LLVKDONJSA-N 278.161 -0.239 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCN(CC(F)(F)F)C2)o1 585021212 QRVCGVQTHQAQEN-QMMMGPOBSA-N 292.066 -0.314 50 20 CBGD Cc1nc2n(n1)CCC[C@@H]2NCc1ccc(B(O)O)o1 585030709 IMJGIDALTNTEFQ-JTQLQIEISA-N 276.105 -0.516 50 20 CBGD COC1CCN(CCNCc2cccc(B(O)O)c2)CC1 585033599 HVTIVTTXMUPBLB-UHFFFAOYSA-N 292.188 -0.433 50 20 CBGD Cc1ccoc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729274739 BNEGBJUSJVBEET-ZETCQYMHSA-N 289.313 -0.713 50 20 CBGD Cn1nnnc1SCCC(=O)NNc1cnccn1 734243859 DCCULPQBCMOQNI-UHFFFAOYSA-N 280.317 -0.374 50 20 CBGD CN(CCNC(=O)NNC(=O)c1cnn(C)c1)C1CC1 735582386 ZATRRZFOQYJWGT-UHFFFAOYSA-N 280.332 -0.542 50 20 CBGD CC(=O)NNC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 743286367 YOZINXLEEVWGDQ-NSHDSACASA-N 289.291 -0.327 50 20 CBGD Cc1ccc(C(=O)NNS(=O)(=O)c2cnn(C)c2)o1 753081569 HLLDSWPZSOJPMX-UHFFFAOYSA-N 284.297 -0.055 50 20 CBGD CCC(C)(C)N[C@H](C)C(=O)NNC(=O)C(=O)NC(C)C 771929480 PNNBFYUTCJFCPO-SECBINFHSA-N 286.376 -0.175 50 20 CBGD C=CCS(=O)(=O)CCNC(=O)NNc1cccnn1 783012623 VSYZVHVQIXDCOF-UHFFFAOYSA-N 285.329 -0.297 50 20 CBGD Cc1nn(C)c(C)c1CCC(=O)NNC(=O)C(C)(C)O 787949184 KFVWTAWHSCXIEZ-UHFFFAOYSA-N 282.344 -0.112 50 20 CBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCO[C@H]1C 823475242 PFFDSLPMSWIAIT-AXTSPUMRSA-N 284.312 -0.242 50 20 CBGD C[C@@H](CO)N(C)NC(=O)Cc1nc(C2CC2)nn1C 823913257 QVXBBXPURFSRKW-QMMMGPOBSA-N 267.333 -0.421 50 20 CBGD CCN(CC)C(=O)CCC(=O)NN(C)[C@H](C)CO 823945974 BGYUQYUGZBZNMN-SNVBAGLBSA-N 259.350 -0.021 50 20 CBGD Cc1cc(O)cc(=O)n1CC(=O)NN(C)[C@@H](C)CO 823946199 FMDCBMXZINTAAH-VIFPVBQESA-N 269.301 -0.794 50 20 CBGD Cc1nnccc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843659658 IKIYBTCEVZLCNJ-SCZZXKLOSA-N 264.285 -0.029 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCCS2(=O)=O)o1 847554451 DUKLLJYTCWWOOA-SECBINFHSA-N 286.309 -0.074 50 20 CBGD COC(=O)CNC(=O)NN=C1CCCn2ccnc21 848408348 KFLUCRQADGJVQT-UHFFFAOYSA-N 265.273 -0.147 50 20 CBGD COC(=O)NNS(=O)(=O)N1CCC(OC)CC1 849306133 RTSJZVQNKYDSKQ-UHFFFAOYSA-N 267.307 -0.797 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCC2(N)CCCC2)cn1 851671684 SLEGUSKBNBFSDY-UHFFFAOYSA-N 280.332 -0.364 50 20 CBGD C[C@@H](NC(=S)NNC(=O)C[C@H]1CCC(=O)N1)C1CC1 855101325 UWRNFESRMUCUCW-VXNVDRBHSA-N 284.385 -0.051 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@@H]2CCCS2)N1 858292170 CXHIUTJVOXBSLS-JGVFFNPUSA-N 286.357 -0.509 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1F 862448302 BYORZPFOLLRUCM-SECBINFHSA-N 295.270 -0.126 50 20 CBGD O=C(CC1CCCC1)NNC(=O)[C@H]1CCC(=O)N1 862449465 PNZULLRMLZETSF-SECBINFHSA-N 253.302 -0.007 50 20 CBGD CCC(=O)N1CC[C@@H](C(=O)NNC(=O)c2cn[nH]c2)C1 862472566 MXNCLAYSEVGCQG-MRVPVSSYSA-N 279.300 -0.571 50 20 CBGD C[C@@H](CC(=O)NNC(=O)CS(C)(=O)=O)C1CC1 863459779 GMZHKUPQZWODNG-ZETCQYMHSA-N 262.331 -0.385 50 20 CBGD CC(=O)CC(C)(C)CC(=O)NNC(=O)CS(C)(=O)=O 863465071 RNUIXFWSTFRLJK-UHFFFAOYSA-N 292.357 -0.426 50 20 CBGD COCCOCC(=O)NNC(=O)Cc1ccncc1C 869907560 ODRHGXPYJZEKSX-UHFFFAOYSA-N 281.312 -0.257 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=S)Nc2ccccn2)C1 874956462 YIJZTERQYFEYRC-UHFFFAOYSA-N 293.352 -0.123 50 20 CBGD CCC1(C(=O)NNC(=O)c2cccnn2)COC1 882058841 RDRZUMYFRXUGJQ-UHFFFAOYSA-N 250.258 -0.336 50 20 CBGD Cn1nc(CNC(=O)c2ccc(B(O)O)cc2)cc1C1CC1 885899548 VKOKXZDLZSNBEH-UHFFFAOYSA-N 299.139 -0.093 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F 910158406 FBURTKYJPWYCFS-SFYZADRCSA-N 297.277 -0.117 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCN(c2nc[nH]n2)CC1 911973451 BLDALPJPRRXAPG-CSKARUKUSA-N 276.300 -0.103 50 20 CBGD O=C(N[C@@H]1CCCC12OCCO2)c1ccc(B(O)O)cc1 912818707 RBQITTJVXLEUQY-GFCCVEGCSA-N 291.112 -0.608 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=O)Cn1nc(C)cc1C 913025745 ACWHCOXREKCRIA-SECBINFHSA-N 281.316 -0.828 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1ncc(F)cc1F 913733124 WRIFUALKHVBPFQ-UHFFFAOYSA-N 298.249 -0.257 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)c1ccncc1 1261231669 JJLAJKPMEMOSRW-SNVBAGLBSA-N 286.295 -0.303 50 20 CBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)Cc1ccncc1 1261548427 PJKCYQLLGMJKMH-VHSXEESVSA-N 276.296 -0.717 50 20 CBGD N#CC1(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CCC1 1318649917 VXKNLGSNVCBNRN-QMMMGPOBSA-N 285.325 -0.738 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cnn(C)c1 1320596754 NLXYWVXIQQMQJU-UHFFFAOYSA-N 268.277 -0.949 50 20 CBGD COC1(C(=O)NNC(=O)C(C)(C)O)CCOCC1 1321889653 QIXQRKSQOBHFCS-UHFFFAOYSA-N 260.290 -0.900 50 20 CBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)c2ccc[nH]2)nn1 1322603926 ADGZLXGRIXQWDE-SSDOTTSWSA-N 278.272 -0.879 50 20 CBGD COC[C@H](C)CC(=O)NNC(=O)C(=O)Nc1ccccn1 1323814636 WAXHWDQPWTTWPP-SECBINFHSA-N 294.311 -0.160 50 20 CBGD CC(C)(C)C(=O)NNC(=O)C(=O)Nc1cnn(CCF)c1 1329091490 ASKNEBMWCUBTJW-UHFFFAOYSA-N 299.306 -0.015 50 20 CBGD Cc1csc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 1329139479 FUOZLAKOPPJKSC-ZETCQYMHSA-N 297.340 -0.439 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@H]1CCC(=O)[C@H]1C 1329608875 PQGPVPFGCBAHNA-VHSXEESVSA-N 286.328 -0.198 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 1329981546 UOVBGSRGWCFIAS-UHFFFAOYSA-N 264.216 -0.197 50 20 CBGD Cc1ccncc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331803492 OPLPVJRUIUUPLK-VIFPVBQESA-N 262.269 -0.570 50 20 CBGD C#CCCCC(=O)NNC(=O)CCCS(C)(=O)=O 1334022602 LGCSHFGXNXXEII-UHFFFAOYSA-N 274.342 -0.238 50 20 CBGD O=C(NNC(=O)C(F)(F)c1nccs1)[C@H]1CCN1 1580732455 CXQJJOZPWXRMGU-RXMQYKEDSA-N 276.268 -0.256 50 20 CBGD CSCCNC(=S)NNC(=O)[C@]1(C(=O)O)C[C@H]1C 1594186668 UKWKRXJDPOLXGZ-LDWIPMOCSA-N 291.398 -0.045 50 20 CBGD O=C(O)CC[C@H]1C[C@@H](C(=O)NNC(=O)NCC2CC2)CO1 1595002850 BAOLNIUXWNHSJZ-ZJUUUORDSA-N 299.327 -0.003 50 20 CBGD Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNC(=O)C(C)C 1605453124 UKYNUHCGJLOWHN-UHFFFAOYSA-N 277.288 -0.080 50 20 CBGD CC[C@H](C(=O)O)C(=O)NNC(=O)N1CCOCC1 1609886766 UOQYNLZGJMWAAA-ZETCQYMHSA-N 259.262 -0.830 50 20 CBGD CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1795330294 LWEZURIZOIRJEP-LMLFDSFASA-N 290.747 -0.804 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(F)cc1O 123661415 IUMTTZOBOQBUQR-UHFFFAOYSA-N 255.249 -0.146 50 20 CBGD O=S1(=O)CC[C@@H](NS(=O)(=O)CBr)C1 157714722 DGAJKLAEUHRVTL-RXMQYKEDSA-N 292.176 -0.555 50 20 CBGD CC[C@@H](C(=O)NNC(=O)c1cc(C)n[nH]1)C(=O)OC 276924363 ZFYKDDUFXHRFRK-ZETCQYMHSA-N 268.273 -0.322 50 20 CBGD CC(C)[C@H](O)C(=O)NNC(=O)Cc1ccncc1 292016118 UWTSUYKAXAWZSM-NSHDSACASA-N 251.286 -0.212 50 20 CBGD CO[C@H](C)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 298836369 DODRNOLRMAXGJU-MRVPVSSYSA-N 290.283 -0.542 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1nc(C)cc(C)n1 299083104 YPQYSCCQEZKLEG-UHFFFAOYSA-N 273.318 -0.914 50 20 CBGD CC#CCNC(=O)NNC(=O)CNC(=O)OC(C)(C)C 494553481 FIXVLBOMUWQNOA-UHFFFAOYSA-N 284.316 -0.135 50 20 CBGD C[C@H](CN1CCCCC1)NC(=O)c1cccc(B(O)O)c1 584930259 YOWYFVFOALZSAF-GFCCVEGCSA-N 290.172 -0.029 50 20 CBGD Cc1nc([C@@H](C)NC(=O)c2cc(B(O)O)ccc2F)no1 584964971 MFYIETGMOOLIFJ-ZCFIWIBFSA-N 293.063 -0.312 50 20 CBGD CC(C)(O)[C@H]1CCCN1C(=O)c1ccc(B(O)O)c(F)c1 584965947 WKRXDYQCOFLKMW-GFCCVEGCSA-N 295.119 -0.119 50 20 CBGD C[C@H](NC(=O)c1ccc(B(O)O)cc1)C1(CO)CC1 585005569 CHDHTLLDGYSKJF-VIFPVBQESA-N 263.102 -0.743 50 20 CBGD C[C@@H](Cn1ccnc1)NCc1ccc(B(O)O)cc1 585017679 HRUGTCVWYBMXRZ-NSHDSACASA-N 259.118 -0.259 50 20 CBGD O=C(CNCc1ccc(B(O)O)o1)NC1CCCCC1 585020855 BJJUBMNOYVWEBR-UHFFFAOYSA-N 280.133 -0.502 50 20 CBGD CCO[C@@H]1COCC[C@@H]1NCc1cccc(B(O)O)c1 585034593 KHLLHDBPQKLTSH-UONOGXRCSA-N 279.145 -0.350 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc2ncccc2c1 585055800 JJRLZCOQRXQHLS-UHFFFAOYSA-N 266.087 -0.475 50 20 CBGD COCCC(=O)NNC(=O)CNC(=O)c1ccco1 727091058 OVIKVDRVUFUNSK-UHFFFAOYSA-N 269.257 -0.807 50 20 CBGD CCCS(=O)(=O)CC(=O)NNC(=O)C1CCC1 732142570 YGXULBIHWYFYQW-UHFFFAOYSA-N 262.331 -0.241 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2C[C@@H]2C(=O)O)n1 738142685 DXUBRIUMJFAPRE-RITPCOANSA-N 252.230 -0.351 50 20 CBGD C[C@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)N(C)C 746014708 NKDZNMCDRHHLRF-IUCAKERBSA-N 259.306 -0.127 50 20 CBGD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NNc1ncccn1 748706474 UJOWONIDTIGELH-UHFFFAOYSA-N 290.239 -0.310 50 20 CBGD CS(=O)(=O)N1CC[C@H](CNC=C(C#N)C#N)C1 753644612 KLOUQANVCOJOID-SECBINFHSA-N 254.315 -0.211 50 20 CBGD Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=O)C(C)(C)O 756804997 NFBSVNQWDQUHFB-UHFFFAOYSA-N 270.245 -0.535 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)Cc1cccnc1 759490592 SRKBQKXRZWWMMB-SNVBAGLBSA-N 293.327 -0.392 50 20 CBGD C[C@H](O)C[C@@H]1COCCN1CC(=O)NNC(=O)C1CC1 767032393 XJOOEXQWUGLZIL-GXSJLCMTSA-N 285.344 -0.985 50 20 CBGD CC(=O)NCC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C 771889299 KAEBGWZNFDEAFV-MRVPVSSYSA-N 287.316 -0.752 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)NC(=O)OC 772229431 CMZLOLZLJBYHHH-NKWVEPMBSA-N 289.288 -0.780 50 20 CBGD COCCC1(C(=O)NNC(=O)C(=O)NC(C)C)CC1 773258582 CCGGXXKNNYLNIT-UHFFFAOYSA-N 271.317 -0.525 50 20 CBGD CCOC(=O)Oc1ccc(C(=O)NNC(=O)CO)cc1 800694837 DDKPYAPKSZBBRF-UHFFFAOYSA-N 282.252 -0.025 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)c1cccn1C 807183953 LOQKOPINSPOFKE-UHFFFAOYSA-N 252.274 -0.100 50 20 CBGD COC(=O)N1CCC(C(=O)NNC(=O)NC2CC2)CC1 823763037 OSLIEOVGJDQGBT-UHFFFAOYSA-N 284.316 -0.042 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCCCS1(=O)=O 823934246 DZZSJSDOOQJZBM-RKDXNWHRSA-N 264.347 -0.703 50 20 CBGD COC(=O)C[C@@H]1CCCN1CC(=O)NNC(=O)C(C)C 828428049 HDLXHXMJBCEJGV-JTQLQIEISA-N 285.344 -0.183 50 20 CBGD O=C(NNC(=O)c1cnn[nH]1)c1ccc(C(=O)O)c(F)c1 833149288 LSDMFKNJEMAHBR-UHFFFAOYSA-N 293.214 -0.283 50 20 CBGD CCCC[C@@H](NC(N)=O)C(=O)NN(C)CCOC 837623208 NKLCKKWWFKFLBP-SECBINFHSA-N 260.338 -0.177 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ncn(C)n1 843659276 XKVLSEFMPLCNBY-RNFRBKRXSA-N 253.262 -0.999 50 20 CBGD CC(C)C(=O)NNC(=O)NCC[C@@]1(O)CCCOC1 845719892 XBSOWMPFWXENKY-LBPRGKRZSA-N 273.333 -0.096 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CCCS1(=O)=O 847285296 HBXZGRTVLVGACR-ZETCQYMHSA-N 277.371 -0.755 50 20 CBGD O=S(=O)(CBr)N1CC[C@@H]2CNC[C@@H]21 850588734 NGUPQOPDYQGZPL-RQJHMYQMSA-N 269.164 -0.038 50 20 CBGD CN1CC[C@@]2(CCCN(CC(=O)NNC(=O)C3CC3)C2)C1 852106040 SRJMFVKBCWGFPM-HNNXBMFYSA-N 294.399 -0.039 50 20 CBGD CCOC(=O)[C@@H](CC(=O)NN(C)CCOC)C(C)=O 854413555 RSDDLYFAMRLVQR-JTQLQIEISA-N 274.317 -0.246 50 20 CBGD C=C[C@@H](O)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 854516044 GHLZSOCWHMLMTR-DTWKUNHWSA-N 262.331 -0.974 50 20 CBGD CCCNC(=O)CCCC(=O)NNC(=O)c1cc[nH]n1 855358549 OAXKOLKEXVTWOW-UHFFFAOYSA-N 281.316 -0.133 50 20 CBGD Cc1cc(C(=O)NNC(=O)CO)c(C)n1-c1cnn(C)c1 857169359 HHEOSWSETXAJMK-UHFFFAOYSA-N 291.311 -0.419 50 20 CBGD Cc1csc(C(=O)NNC(=O)[C@H]2CCNC2=O)c1 862480559 XXLSJZLKZHQZHT-ZETCQYMHSA-N 267.310 -0.046 50 20 CBGD CNC(=O)c1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)cc1 863145130 KEAFYMWTTFYIDE-LLVKDONJSA-N 288.307 -0.225 50 20 CBGD O=C(/C=C\CN1CCOCC1)NNC(=O)c1ccc[nH]1 864588554 GTTFARULGSLABU-RQOWECAXSA-N 278.312 -0.336 50 20 CBGD O=C(N[C@@H](CCO)C(F)(F)F)c1cccc(B(O)O)c1 868542286 JDSKXIWVTOOQCK-VIFPVBQESA-N 291.034 -0.591 50 20 CBGD COCCOCC(=O)NNC(=O)C1(O)CCSCC1 869907534 NYQSATGYSRKDJW-UHFFFAOYSA-N 292.357 -0.945 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@@]12CCOC2)c1cccnn1 882057180 PWCJEMDSECTEGI-PRHODGIISA-N 262.269 -0.336 50 20 CBGD CN(C)CC(=O)NNC(=O)c1c2c(nn1C)CCC2 894133141 GUJDWYXJGMNSDR-UHFFFAOYSA-N 265.317 -0.769 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCN1C(C)(C)C 900007515 MZVUMTMTOFEIKX-VIFPVBQESA-N 284.360 -0.469 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 910174111 QIZPDNLXJPVDCS-MNOVXSKESA-N 295.339 -0.028 50 20 CBGD C[C@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)CN1CCCC1=O 913732613 CJNDPHLQSSUCSM-NXEZZACHSA-N 295.339 -0.239 50 20 CBGD NC(=O)NN=C1C(=O)Nc2cc(N3CCOCC3)ccc21 915933612 FKOBJAMOBJKLSM-UHFFFAOYSA-N 289.295 -0.152 50 20 CBGD CN1CCN(C(=O)CN(C)S(=O)(=O)CCl)CC1 919314089 VXVDTJKBFXHJKW-UHFFFAOYSA-N 283.781 -0.782 50 20 CBGD O=C(CN1CCCNC1=O)NNC(=O)NCc1ccco1 920855929 HFYWGZGEVVXBGJ-UHFFFAOYSA-N 295.299 -0.475 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1cncn1C 1119276547 XCVHGCMFFPKNCP-VIFPVBQESA-N 299.331 -0.698 50 20 CBGD C[C@@H]1[C@@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)C1(F)F 1123580182 DMYSHRHFDILTBA-VQVTYTSYSA-N 296.295 -0.530 50 20 CBGD CC(C)(C)C(=O)NNC(=O)Cc1nc2ncccn2n1 1251181235 ZQHZPEPGBUIBHL-UHFFFAOYSA-N 276.300 -0.140 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccnn1C 1318722574 KQTWKNHAKAYCQE-UHFFFAOYSA-N 281.316 -0.514 50 20 CBGD O=Cc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)[nH]1 1318953245 BHOKEPLGOIZTIS-UHFFFAOYSA-N 278.268 -0.789 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)Cc2cccnc2)o1 1319576661 DSLOMNDXDRLWAN-UHFFFAOYSA-N 288.263 -0.223 50 20 CBGD COc1ccc(NC(=O)C(=O)NNC(C)=O)cc1[N+](=O)[O-] 1320224845 XTXFHKRKHBKYKX-UHFFFAOYSA-N 296.239 -0.291 50 20 CBGD CC(=O)N1CCC[C@H](C(=O)NNc2nc[nH]n2)C1 1324555470 UQYRBKUYFIQRBA-QMMMGPOBSA-N 252.278 -0.494 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@H]1COC(=O)C1 1325725230 IJKISVVVKVSEQX-SFYZADRCSA-N 286.284 -0.571 50 20 CBGD Cc1noc(CN(C)CC(=O)NNC(=O)C2CC2)n1 1327589194 JGTOTRZXXBJEDE-UHFFFAOYSA-N 267.289 -0.633 50 20 CBGD CC(C)CC(=O)NNC(=O)C(=O)Nc1cnn(CCF)c1 1329014655 PBYRKODKTFCUJR-UHFFFAOYSA-N 299.306 -0.015 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C(=O)C(C)(C)C 1330271825 WKHXAFXQAJEKBZ-UHFFFAOYSA-N 257.290 -0.726 50 20 CBGD COCCOCC(=O)NNC(=O)/C=C/c1cn(C)cn1 1333526209 XOMYQVMQARMTHW-ONEGZZNKSA-N 282.300 -0.756 50 20 CBGD CC1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCOCC1 1336171527 PEWLAGHWXUILEG-SECBINFHSA-N 298.343 -0.588 50 20 CBGD Cn1nncc1C(=O)NNC(=O)N=c1cc[nH]cc1 1340043121 SRGCDINAECNAIA-UHFFFAOYSA-N 261.245 -0.902 50 20 CBGD O=C(CC[C@H]1NC(=O)NC1=O)NNc1ncc(Cl)cn1 1348045860 LPVQNJFMEURQFM-ZCFIWIBFSA-N 298.690 -0.439 50 20 CBGD CSC1(C(=O)NNC(=O)CS(C)(=O)=O)CC1 1351665870 HJEMRMDBVHHORA-UHFFFAOYSA-N 266.344 -0.926 50 20 CBGD CC1(C(=O)NNC(=O)[C@@H]2CCN2)CCC(=O)CC1 1576349428 DBKJQPUKGYLUQP-VIFPVBQESA-N 253.302 -0.355 50 20 CBGD CC(C)(CCNC(=O)c1cccc(B(O)O)c1)C(=O)O 1588775489 OLQFATSITGZFCA-UHFFFAOYSA-N 279.101 -0.403 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@@H](C)[C@H](C(=O)O)C1 1590939511 XPKKBQKXZDRMLK-RKDXNWHRSA-N 271.317 -0.558 50 20 CBGD COC(=O)N(C)NC(=O)c1cc(O)cc(-c2nn[nH]n2)c1 1591273053 QXSBCIVHZGRFJX-UHFFFAOYSA-N 292.255 -0.085 50 20 CBGD COCCN(C)NC(=O)c1cc(-c2nn[nH]n2)[nH]c1C 1591420697 MYHGYYJNEIYKOW-UHFFFAOYSA-N 279.304 -0.274 50 20 CBGD C[C@H]1C[C@H](NC(=O)NNC(=O)C(=O)O)CCS1 1594254438 ABSMPQLHZQGDAO-NTSWFWBYSA-N 261.303 -0.315 50 20 CBGD COC(=O)c1ccc(O)c(C=NNC(=O)C(=O)O)c1 1598984632 PXFHFZUKVIGQFY-UHFFFAOYSA-N 266.209 -0.287 50 20 CBGD O=C(Cn1cc(C(=O)O)cn1)NNC(=O)c1cccnc1 1601379449 RHDKYUKYAXZFGF-UHFFFAOYSA-N 289.251 -0.563 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)C(=O)O)CN1CCCC1 1609746268 JEGUCYIQNRDIEX-QMMMGPOBSA-N 272.305 -0.867 50 20 CBGD COc1ccc(CCNC(=O)NNC(=O)C(=O)O)cc1 1610330404 KIESUHBALZJDOC-UHFFFAOYSA-N 281.268 -0.347 50 20 CBGD Nc1nccnc1C(=O)NNC(=O)c1cccnc1 22242761 GAULUTDKHURMGP-UHFFFAOYSA-N 258.241 -0.471 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(-c2ncn[nH]2)cc1 184470058 GEAYYTAJKOVYHZ-UHFFFAOYSA-N 288.311 -0.206 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1)c1ccc(O)cc1 276119931 LMQTWHDOBPZMDH-ZJUUUORDSA-N 294.263 -0.215 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H](OC)c1cnn(C)c1 282514753 XSVBBUNDGBASKZ-SECBINFHSA-N 269.305 -0.200 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1 283044581 NQOXIBUMMGBVEZ-ZETCQYMHSA-N 286.288 -0.567 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1COCCN1CC 368530256 KBGKIEUCRBTFOC-SECBINFHSA-N 272.374 -0.612 50 20 CBGD COC[C@@H](C)CC(=O)Nc1cccc(B(O)O)c1 405004850 QKILPTIRQZEZAS-VIFPVBQESA-N 251.091 -0.023 50 20 CBGD CCOC(=O)NCC(=O)NNC(=O)c1c[nH]nc1C 491509182 IVVWDGJWIDRFRQ-UHFFFAOYSA-N 269.261 -0.775 50 20 CBGD CCOC(=O)NNC(=O)[C@H](NC(N)=O)C(C)(C)C 495711533 LCACTTMPTNRSDB-LURJTMIESA-N 260.294 -0.153 50 20 CBGD CC(C)(C)n1cc(C(=O)Nc2cccc(B(O)O)c2)nn1 584914267 UAQJJXFIOFCJNP-UHFFFAOYSA-N 288.116 -0.035 50 20 CBGD CC(C)N1CC[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1=O 584947132 HASUHRNXNBLRSS-GFCCVEGCSA-N 290.128 -0.895 50 20 CBGD C[C@@H]1C[S@@](=O)CCN1C(=O)c1cc(B(O)O)ccc1F 584951867 ZYAXJRJTYUQJKF-SQFXPLBJSA-N 299.132 -0.902 50 20 CBGD CO[C@@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)C1(C)C 584957656 KHXHLHNBPLABNN-NWDGAFQWSA-N 277.129 -0.090 50 20 CBGD CC[C@](NC(=O)c1cccc(B(O)O)c1)(C(N)=O)C(C)C 584973512 NYIFEBRFWFEXJX-CQSZACIVSA-N 292.144 -0.614 50 20 CBGD C[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CC[C@H]1O 584974368 NVXQWMOKNVTYIW-PRHODGIISA-N 281.092 -0.652 50 20 CBGD CO[C@H](C)[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F 584991400 XZILZGPSPUGEJP-HTQZYQBOSA-N 269.081 -0.341 50 20 CBGD CC#CC[C@@H](CO)NC(=O)c1cc(B(O)O)ccc1F 585003161 NGXVNVONHGHGHS-JTQLQIEISA-N 279.076 -0.990 50 20 CBGD OCC[C@@H](NCc1ccc(B(O)O)cc1F)C1CC1 585024766 CDSANMSRDIVXJL-CYBMUJFWSA-N 267.109 -0.244 50 20 CBGD CN(C)[C@]1(CNCc2ccc(B(O)O)o2)CCSC1 585026475 NMLQZAPLIPKNIW-LBPRGKRZSA-N 284.190 -0.514 50 20 CBGD O=C(NCB(O)O)c1ccccc1Cn1cccn1 585060880 GJIWMXWNFQFXRM-UHFFFAOYSA-N 259.074 -0.327 50 20 CBGD O=C(NCB(O)O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 585062376 HOKZHMRXNIFSTE-SSDOTTSWSA-N 298.054 -0.554 50 20 CBGD C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](B(O)O)C1 585070066 VVPBZFRCSAGXSG-DTWKUNHWSA-N 270.138 -0.388 50 20 CBGD C[C@H](CN1CCN(C)CC1)NC(=O)NNc1ncccn1 730133616 CAPOLCFPJUOKST-LLVKDONJSA-N 293.375 -0.261 50 20 CBGD C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)N1CCOCC1 746179261 SZVKZXWNKJIXNH-PHIMTYICSA-N 284.360 -0.068 50 20 CBGD CNS(=O)(=O)c1cc(C(=O)NNC(C)=O)c(C)o1 751363436 FWMVGQZWIHZCIT-UHFFFAOYSA-N 275.286 -0.723 50 20 CBGD O=C(CO)NNC(=O)c1ccncc1Br 753440005 ONGNGTOUCDLEOE-UHFFFAOYSA-N 274.074 -0.403 50 20 CBGD COc1cc(C(=O)NNC(=O)CO)cc2c1O[C@@H](C)C2 753440092 WKYXROLBSCMWLD-ZETCQYMHSA-N 280.280 -0.228 50 20 CBGD O=C(CO)NNC(=O)c1ccc2c(c1)CCC(=O)N2 753451795 IYFYKOHQCQTBGL-UHFFFAOYSA-N 263.253 -0.675 50 20 CBGD CCn1nccc1C=NNC(=O)CN1CCCC1=O 753689018 AEDGTTNFILQQGY-UHFFFAOYSA-N 263.301 -0.025 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H](C)[C@H](O)C1 768767809 FTMNJMJGPIIHDV-GARJFASQSA-N 271.361 -0.119 50 20 CBGD C[C@H](NC(=O)NNC(=O)c1ccc[nH]1)[C@@H]1CN(C)CCO1 770437305 HCJJSLDOMADANK-ONGXEEELSA-N 295.343 -0.322 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCCN1C 772141543 GKKWLRQIJKAEEO-VHSXEESVSA-N 285.344 -0.040 50 20 CBGD O=C(NNC(=O)[C@H]1COCCO1)[C@@H]1CCCCO1 772155414 ZUWGWADXNWPFDV-DTWKUNHWSA-N 258.274 -0.882 50 20 CBGD C[C@@H]1CCN(S(=O)(=O)NNC(=O)c2cnccn2)C1 777915240 JVNGXWNHMSVQLI-MRVPVSSYSA-N 285.329 -0.702 50 20 CBGD COc1ccnc(NNC(=O)c2cccc(C(N)=O)n2)n1 781940806 XMIIGZIFYDDHDR-UHFFFAOYSA-N 288.267 -0.264 50 20 CBGD COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NNC(=O)CO)c1 788591888 WWLIGEPIBUZZIC-MWLCHTKSSA-N 294.307 -0.053 50 20 CBGD Cn1cnc(C=NNC(=O)CNC(=O)c2cccnc2)c1 794520052 JNQGYDRBYHXVBB-UHFFFAOYSA-N 286.295 -0.305 50 20 CBGD COCCCNC(=O)NNC(=O)COCc1cccnc1 805172439 WWYYOQPCGBASPJ-UHFFFAOYSA-N 296.327 -0.035 50 20 CBGD CNC(=O)CCCNC(=O)NNc1ncncc1F 814310890 ZIPHUYLHWYTJKH-UHFFFAOYSA-N 270.268 -0.232 50 20 CBGD C[C@@H](O)CN(C)NC(=O)/C=C\CN1CCOCC1 821218095 UQPXFCHAPIZDTF-DLRQAJBASA-N 257.334 -0.781 50 20 CBGD CN(C)N(C(=O)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 823014974 YCTPRNFEKYYXQL-NSHDSACASA-N 289.401 -0.426 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@](C)(C(=O)O)C1 828570435 DUOTZFACRXGRRE-PRHODGIISA-N 271.317 -0.271 50 20 CBGD C[C@H]1COCCN1CCNS(=O)(=O)CCl 830395725 WAACZZXGBXCFPI-QMMMGPOBSA-N 256.755 -0.177 50 20 CBGD COCC1(CC(=O)NNc2ccc(C(N)=O)nn2)CC1 844134253 CTWJBELRDORREO-UHFFFAOYSA-N 279.300 -0.165 50 20 CBGD CCS(=O)(=O)N[C@H](CCSC)C(=O)NNC(C)=O 849174575 YHONAQGQNSURDB-MRVPVSSYSA-N 297.402 -0.785 50 20 CBGD CC(=O)N1CC[C@@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)C1 856914624 UFLUIFPJBNGTTO-MNOVXSKESA-N 298.343 -0.493 50 20 CBGD CCOC(=O)[C@H](CC)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862461592 QGJLVUVPXFDTCN-HTQZYQBOSA-N 285.300 -0.998 50 20 CBGD CCC[C@@H](CCO)NC(=O)c1cccc(B(O)O)c1 869870194 WHKSJSWWYAIFOA-LBPRGKRZSA-N 265.118 -0.353 50 20 CBGD CNC(=O)CCCNC(=O)NN=c1cc[nH]c(C)c1 875133824 SKTIJMRECSUDDB-UHFFFAOYSA-N 265.317 -0.036 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1COC[C@@H]1C 884427200 MCNNGLXQQDGBSA-BQBZGAKWSA-N 263.319 -0.937 50 20 CBGD C[C@@H]1CCc2[nH]nc(C(=O)NNC(=O)CN(C)C)c2C1 896128860 NHNPAUWBBHKQMO-MRVPVSSYSA-N 279.344 -0.143 50 20 CBGD C[C@H](C(=O)NNC(=O)CN1CCCC1=O)C(F)(F)F 913731442 IQYJCHXBIXSQGZ-ZCFIWIBFSA-N 281.234 -0.045 50 20 CBGD CCOC(=O)/C(C#N)=C\NNC(=O)CCN1CCOCC1 1115816956 PREWIWAETLDRPP-KHPPLWFESA-N 296.327 -0.700 50 20 CBGD O=C(CCc1cncs1)NNC(=O)[C@@H]1CCC(=O)N1 1118942480 FDTJAKFUOTXZAQ-QMMMGPOBSA-N 282.325 -0.498 50 20 CBGD O=C(/C=C\c1nccs1)NNC(=O)[C@H]1CCC(=O)N1 1121186507 OKDJTYSAGQXFRR-KFOINNEUSA-N 280.309 -0.418 50 20 CBGD COCCS(=O)(=O)NNC(=O)c1ccc(OC)cc1 1252008910 CWCJRFFZBPPQBE-UHFFFAOYSA-N 288.325 -0.094 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccccc1OC 1252439030 UXJARPLCQYYYQI-UHFFFAOYSA-N 281.268 -0.301 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1C=C[C@H](CO)C1 1261452424 CIPVBVRCYPWLCC-MMWGEVLESA-N 283.328 -0.321 50 20 CBGD CCC1(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1318938457 LAEAJBVPGRMRGK-MRVPVSSYSA-N 274.342 -0.241 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccc(F)cc1 1319002994 FSOCJFRIEHSDDC-UHFFFAOYSA-N 269.232 -0.171 50 20 CBGD COCCNC(=O)CN1CCN(C(=O)CCl)CC1 1320465997 BRAHUCYNJORPAH-UHFFFAOYSA-N 277.752 -0.868 50 20 CBGD Cc1ccc(C(=O)NNC(=O)NCc2nnn(C)n2)o1 1320951222 CPVLKUGXOWVSTC-UHFFFAOYSA-N 279.260 -0.744 50 20 CBGD Cn1nc([C@H]2CCCO2)cc1NC(=O)NNC(=O)CCO 1320958501 LLQCKLKWFOXDBG-SECBINFHSA-N 297.315 -0.193 50 20 CBGD CC(F)(F)CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1324591372 CLVQHDTZJAALHL-ZCFIWIBFSA-N 299.299 -0.451 50 20 CBGD CC(=NNC(=O)CN1CCCC1=O)c1cc(CO)on1 1324676620 MFLLTQXXJFWTJK-UHFFFAOYSA-N 280.284 -0.371 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CCc2nncn2C1 1324884563 WPQZXPPVFYQPLJ-QMMMGPOBSA-N 280.357 -0.478 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NNc1ncncc1F 1328147616 QLWDZVLJYCGCHI-NKWVEPMBSA-N 298.278 -0.302 50 20 CBGD C#CCN(CC1CC1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329755993 SSOACJWWODWLKN-JTQLQIEISA-N 278.312 -0.649 50 20 CBGD C[C@H](CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)n1ccnc1 1330107990 LIPYMGCRTNDCQZ-BDAKNGLRSA-N 279.300 -0.740 50 20 CBGD O=C(C[C@H]1CCCOC1)NNC(=O)CN1CCCC1=O 1335091163 XPZBOQXKAJCDAN-SNVBAGLBSA-N 283.328 -0.427 50 20 CBGD O=C(NNc1ncccn1)c1ccc2nnc(O)n2c1 1335645885 GLIVQNKYOCDUIK-UHFFFAOYSA-N 271.240 -0.018 50 20 CBGD COC(=O)c1cnc(C(=O)NNC(=O)NCC2CC2)cn1 1341982852 ISDMJJDSAYHAFM-UHFFFAOYSA-N 293.283 -0.383 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC1(OC)CCCC1 1344552649 LAOZIXZQAOKUAX-UHFFFAOYSA-N 273.289 -0.551 50 20 CBGD C[C@H](CNC(=O)NNc1ncccn1)N1CCN(C)CC1 1349878988 HDEXHCSIGRENCG-LLVKDONJSA-N 293.375 -0.261 50 20 CBGD C[C@@H](CNC(=O)NNc1ncccn1)N1CCN(C)CC1 1349878991 HDEXHCSIGRENCG-NSHDSACASA-N 293.375 -0.261 50 20 CBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNc1ncccc1C(=O)O 1574496175 GCHJQACMIPPRMA-NKWVEPMBSA-N 278.268 -0.266 50 20 CBGD C[C@@H](O)[C@H](N)C(=O)NNC(=O)CCc1ccccc1 1579419988 NLVCDAKEIPVDMD-SKDRFNHKSA-N 265.313 -0.525 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1sccc1-c1nn[nH]n1 1589882818 SQZGMIUSHXCZMB-LURJTMIESA-N 282.329 -0.114 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CC[C@H]1C(=O)O 1594442405 VTGUDYUPJJSHBY-NKWVEPMBSA-N 266.257 -0.410 50 20 CBGD O=C(CN1CCC[C@@H](C(=O)O)C1=O)NNc1ncccn1 1601312332 OCDNPRMLSDQCMX-MRVPVSSYSA-N 293.283 -0.757 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1c2ccccc2OC[C@H]1F 1601552711 FOBZCHXVXPWDRK-APPZFPTMSA-N 297.242 -0.127 50 20 CBGD O=C(NNC(=O)C(=O)O)Nc1cccc([N+](=O)[O-])c1 1601553065 SGSGYQDJJCVNGU-UHFFFAOYSA-N 268.185 -0.168 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccc(C(=O)O)cc1 1610965186 REXGRSWZBAVBLH-UHFFFAOYSA-N 295.251 -0.612 50 20 CBGD CCOC(=O)[C@H]1CCCN(CC(=O)NNC(C)=O)C1 48580857 OLFXZVVCERIDOD-JTQLQIEISA-N 271.317 -0.571 50 20 CBGD CCCCNC(=O)NNC(=O)CN1C(=O)CN(C)C1=O 49143812 WBKPTFSWHJPISW-UHFFFAOYSA-N 285.304 -0.989 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 130155359 UIWRQJVNYITFBS-UWVGGRQHSA-N 284.360 -0.022 50 20 CBGD CCN1C[C@@H](C(=O)NNC(=O)c2cc(C)n[nH]2)CC1=O 151221432 HWCOSCCYFDOVPM-QMMMGPOBSA-N 279.300 -0.652 50 20 CBGD Cc1nn(C)c(C)c1OCC(=O)NNC(=O)CN(C)C 161827250 OSYVOOMMPLXVMO-UHFFFAOYSA-N 283.332 -0.875 50 20 CBGD COC[C@@H](CCO)NS(=O)(=O)CBr 227982497 BMCOLIXEJXPQOZ-ZCFIWIBFSA-N 276.152 -0.344 50 20 CBGD CO[C@H](C)CS(=O)(=O)NNC(=O)c1ccccc1O 278723140 UPDJRXMYYDPFBN-MRVPVSSYSA-N 288.325 -0.009 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CCn2cncn2)n1 279833893 QYJGLBCKGLSEOI-UHFFFAOYSA-N 274.284 -0.167 50 20 CBGD COC(=O)[C@H]1CC[C@@H](C(=O)NNc2cnccn2)O1 291363923 SUTHEGOGTFCIPS-JGVFFNPUSA-N 266.257 -0.360 50 20 CBGD O=C(CNS(=O)(=O)CCCCl)N1CCOCC1 303566190 RBKKPPLAMRZQPX-UHFFFAOYSA-N 284.765 -0.607 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 376879788 JBMCLPKNDPHRLG-LBPRGKRZSA-N 293.323 -0.973 50 20 CBGD C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1cccc(B(O)O)c1 404965651 IFOWYWNUSSENRO-VIFPVBQESA-N 292.144 -0.144 50 20 CBGD CN1C(=O)C[C@@H](NC(=O)/C(C#N)=C/c2cnn(C)c2)C1=O 491005641 BIYAEJSFKPBCAT-OTVCUZDGSA-N 287.279 -0.799 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H]1CCOC1 494642239 WKNQCGRIJHLNCN-QMMMGPOBSA-N 287.316 -0.305 50 20 CBGD O=C1CCCC[C@H](C(=O)Nc2cccc(B(O)O)c2)N1 584913789 JZHRRBMROPKCMH-LLVKDONJSA-N 276.101 -0.636 50 20 CBGD C[C@H]1[C@H](CO)CCN1C(=O)c1ccc(B(O)O)cc1 584982287 MVUYLAJJHLCNCJ-ONGXEEELSA-N 263.102 -0.791 50 20 CBGD CC[C@H](NC(=O)c1cccc(B(O)O)c1)[C@H](C)O 585000190 YDWUGBGARLDUPS-KWQFWETISA-N 251.091 -0.744 50 20 CBGD C[C@@H]1CN(C2CC2)C[C@H]1NCc1ccc(B(O)O)cc1 585028688 OHBFSBRETZVKMX-IAQYHMDHSA-N 274.173 -0.061 50 20 CBGD OB(O)c1ccc(CNC[C@@H](O)C2CCCC2)o1 585029809 VIJLUBRUVNTKCW-LLVKDONJSA-N 253.107 -0.400 50 20 CBGD COCc1nc(CNCc2ccc(B(O)O)o2)cs1 585040200 BUJNUVSBICIWFC-UHFFFAOYSA-N 282.130 -0.148 50 20 CBGD CC(C)c1n[nH]c(CNCc2ccc(B(O)O)o2)n1 585043603 PCRMCEKCJDDABM-UHFFFAOYSA-N 264.094 -0.509 50 20 CBGD OC[C@H](NCc1ccc(B(O)O)cc1F)[C@@H]1CCCOC1 585046963 XVXVILRQKSWMON-RISCZKNCSA-N 297.135 -0.617 50 20 CBGD Cc1nnnn1/C(=C/c1ccccc1)C(=O)NCB(O)O 585056020 NKISSDGQDLOUHB-YRNVUSSQSA-N 287.088 -0.892 50 20 CBGD CCS(=O)(=O)CCNC(=O)NNC(=O)C(C)C 727943551 NUJLHHXDGSNJKS-UHFFFAOYSA-N 265.335 -0.593 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)NCc2ccco2)CC1 729968769 RGQZOEHVLMPQPP-UHFFFAOYSA-N 280.284 -0.364 50 20 CBGD C[C@H](CS(C)(=O)=O)NC(=O)NNc1ncccn1 733662791 PGPTYUGSXFDYQS-SSDOTTSWSA-N 273.318 -0.464 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)[C@H]1C[C@@H]1C(=O)O 739336825 JOEYASOOWZAZRZ-YUMQZZPRSA-N 294.263 -0.361 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CCc2c[nH]nc2C1 742585728 NFORGSGJEJFXMH-SSDOTTSWSA-N 251.290 -0.135 50 20 CBGD COCCOCC(=O)NNC(=O)c1ncccc1C 752237727 DNKNXRRJGHPRMY-UHFFFAOYSA-N 267.285 -0.186 50 20 CBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)CO 753440535 TZINUJQDOSIUGE-UHFFFAOYSA-N 259.306 -0.931 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 768245692 DLIJSDZLZQJPNR-SFYZADRCSA-N 271.317 -0.804 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C1CCC1)[C@H]1CN(C)CCO1 770116273 FFRFOBKHZKUMQZ-MWLCHTKSSA-N 284.360 -0.164 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)Cc2ccccc2F)C1=O 772938787 NOGNWGQUNADSSQ-SNVBAGLBSA-N 293.298 -0.006 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@](O)(CC)C1 778390724 BSZCRLNADGOHDE-SKDRFNHKSA-N 257.334 -0.221 50 20 CBGD CN(NC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)C(N)=O 778411622 HPLYPTWHFGQUFO-CQSZACIVSA-N 292.339 -0.335 50 20 CBGD CCNC(=O)N(C)NC(=O)CCCN1C(=O)CNC1=O 781063808 MYCIYLGVMFTYSH-UHFFFAOYSA-N 285.304 -0.989 50 20 CBGD CC[C@](C)(C#N)C(=O)NNC(=O)C(=O)NC(C)C 794620889 LICFQVHZNALXNE-LLVKDONJSA-N 254.290 -0.402 50 20 CBGD C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)O1 800327853 AFFZPUPEPOXKPO-BBBLOLIVSA-N 283.328 -0.430 50 20 CBGD CCCNC(=O)NNC(=O)[C@H]1COCCN1CC(F)F 822799297 ABAANONNGGLNRR-MRVPVSSYSA-N 294.302 -0.307 50 20 CBGD CN1C(=O)CC[C@H]1CC(=O)NNC(=O)NCC1CC1 823805001 WUYXGVIMKXNUON-VIFPVBQESA-N 268.317 -0.262 50 20 CBGD CCN(CCO)NC(=O)C(C)(C)CN1CCOCC1 823897965 OVAGBJUJHHORTB-UHFFFAOYSA-N 273.377 -0.310 50 20 CBGD CCC[C@@H](C(=O)NN(C)C(=O)NCC)S(N)(=O)=O 831853925 KKJSTFVUFIGKQC-ZETCQYMHSA-N 280.350 -0.864 50 20 CBGD CO[C@@H]1COC[C@@H]1NC(=O)NNC(=O)[C@H]1CCCCO1 838776487 AXIFVZQKYWTMMW-IVZWLZJFSA-N 287.316 -0.700 50 20 CBGD CC1CCN(S(=O)(=O)NNC(=O)c2ncccn2)CC1 841677480 WAIDQJGOYNCYTJ-UHFFFAOYSA-N 299.356 -0.312 50 20 CBGD Cc1nn(C)cc1CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843657972 FKHADEDFYIQNGK-MWLCHTKSSA-N 280.328 -0.157 50 20 CBGD C=C(CN(C)C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843971753 RIPKWIZNDSGFNA-ZJUUUORDSA-N 255.318 -0.323 50 20 CBGD COCCN(C)NC(=O)c1nnn(-c2ccn(C)n2)c1C 848378169 JYIRISXHPOKKMD-UHFFFAOYSA-N 293.331 -0.468 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)CC2 848449933 GEIRRPGPKNNCEU-UHFFFAOYSA-N 283.309 -0.062 50 20 CBGD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCCSC#N 854360959 IPZVAUUKVWLPDH-WPRPVWTQSA-N 285.369 -0.017 50 20 CBGD CN1CCN(CC(=O)NCCCSC#N)CC1=O 854361417 WKOANCLTKSSOMR-UHFFFAOYSA-N 270.358 -0.519 50 20 CBGD O=C(C[C@@H]1CCC(=O)N1)NNC(=O)N=c1cc[nH]cc1 854377694 UPIJEIKLGURVAN-VIFPVBQESA-N 277.284 -0.675 50 20 CBGD COC[C@@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(C)C 858246686 BLAIIWPAASQFOH-DTWKUNHWSA-N 286.332 -0.734 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)N(C)C1CC1 858283906 USZYVQLQLABASZ-WCBMZHEXSA-N 297.359 -0.922 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NO[C@H]2CCCCO2)N1 858409949 RIIZQRQFNLQVBF-APPZFPTMSA-N 286.288 -0.946 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NO[C@@H]2CCCCO2)N1 858409951 RIIZQRQFNLQVBF-IONNQARKSA-N 286.288 -0.946 50 20 CBGD CN(CC(C)(C)C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858698637 XJLUOWMFCUWOSP-QMMMGPOBSA-N 270.333 -0.016 50 20 CBGD CC(C)SCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862451640 ONCSHNJSTPZROC-ZETCQYMHSA-N 259.331 -0.446 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)C2=CCCCC2)N1 862460762 JBIGDKGMCKNBKV-SECBINFHSA-N 251.286 -0.087 50 20 CBGD CCN(CC(=O)NNC(=O)c1cn[nH]c1)C1CC1 862472615 OIGSWSHWDGFUOR-UHFFFAOYSA-N 251.290 -0.345 50 20 CBGD C[C@H]1CC(=NNC(=O)[C@H]2CCC(=O)N2)CCN1C 863148609 GAXWGVDCANRIQS-WCBMZHEXSA-N 252.318 -0.149 50 20 CBGD C[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)CS(C)(=O)=O 863463904 YJOQUJWBWSGSJX-IUCAKERBSA-N 291.373 -0.949 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC(C(F)F)C1 863875768 FUPNWPMSQHAPGS-UHFFFAOYSA-N 255.029 -0.297 50 20 CBGD COC(=O)[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1C 863880098 NYAFZPIEMGSOEF-BXKDBHETSA-N 291.112 -0.610 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@H]1COc2ccccc2O1)N(C)C 873751141 NQJSLEDKRNEXBN-BXKDBHETSA-N 293.323 -0.076 50 20 CBGD Cc1cc(F)ncc1C(=O)NNC(=O)CN(C)C 878681487 SSXSVOXNHZIYPY-UHFFFAOYSA-N 254.265 -0.148 50 20 CBGD NC(=O)NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 912764962 NKCOEEAOHOAWRT-UHFFFAOYSA-N 281.228 -0.976 50 20 CBGD CO[C@H]1CCC[C@@H](C(=O)NNC(=O)CN2CCCC2=O)C1 913733179 YOADMJTUOLQBNO-MNOVXSKESA-N 297.355 -0.039 50 20 CBGD CN(C)C(=O)CNC(=S)NNC(=O)C(C)(C)C 918720841 YCJQCCXZOIJNBV-UHFFFAOYSA-N 260.363 -0.384 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@]12CCC(=O)N1CCS2 920859633 VJNIKTVOZYIPLV-GFCCVEGCSA-N 298.368 -0.208 50 20 CBGD Cn1cnc(/C=C\C(=O)NNC(=O)N2CCOCC2)c1 931114086 MGIFPFGZTKYENU-IHWYPQMZSA-N 279.300 -0.494 50 20 CBGD N#CC1(C(=O)NNC(=O)C(=O)Nc2ccccn2)CCC1 1116257873 JFDIBPLCRURVPA-UHFFFAOYSA-N 287.279 -0.139 50 20 CBGD O=C(Cc1ccco1)NNC(=O)C(=O)NC1CC1 1116399234 QGWNONMEBCHXBO-UHFFFAOYSA-N 251.242 -0.752 50 20 CBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)CC(F)(F)F 1118772788 ADTVNPAHHQDXLG-CRCLSJGQSA-N 267.207 -0.402 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CCCS(=O)(=O)C1 1119103699 DFJGFMSCXOYCHM-VIFPVBQESA-N 264.347 -0.843 50 20 CBGD CC(C)(O)CC(=O)NNC(=O)C(=O)Nc1ccccn1 1256301857 NTFKBESTEONAAD-UHFFFAOYSA-N 280.284 -0.672 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H](C)c1nnc2n1CCC2 1318361834 BSXJPLUVNGCBIE-MRVPVSSYSA-N 296.331 -0.348 50 20 CBGD Nc1cnnc(NNC(=O)CCc2nc[nH]n2)c1Cl 1319777406 RQKMPUTWNBERLL-UHFFFAOYSA-N 282.695 -0.094 50 20 CBGD CNC(=O)Cc1ccccc1NC(=O)NNC(=O)COC 1320126664 WZBMAQPMEFGTGY-UHFFFAOYSA-N 294.311 -0.226 50 20 CBGD C#CCCCNC(=O)NNC(=O)C(=O)NC1CC1 1320663886 CWOXYMGRACYXPO-UHFFFAOYSA-N 252.274 -0.991 50 20 CBGD O=C(CCO)NN=Cc1ccc(O)c(C(=O)O)c1 1321463809 LOAANZMVYPXNKB-UHFFFAOYSA-N 252.226 -0.077 50 20 CBGD NC(=O)c1nccnc1C(=O)NNC(=O)c1ccccn1 1322211711 QOZGLTFAFZYPSN-UHFFFAOYSA-N 286.251 -0.955 50 20 CBGD CC(=O)NNC(=O)c1cnc2sccn2c1=O 1323971648 DDNDHKYCZRIZOW-UHFFFAOYSA-N 252.255 -0.463 50 20 CBGD Cn1nnc2c1C[C@H](C(=O)NNC(=O)NC1CC1)CC2 1326052742 BBWHPMZTFFOKFA-SSDOTTSWSA-N 278.316 -0.587 50 20 CBGD Cc1nn(C)c(N)c1C=NNC(=O)c1cnccn1 1327802039 QGUDJGLFWBYULU-UHFFFAOYSA-N 259.273 -0.135 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCc2nccn2C1 1328128786 GAMUKZVWQVVEGF-SECBINFHSA-N 288.311 -0.441 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2cccc(F)n2)N1 1336172084 ULGZYRUAEDGAON-QMMMGPOBSA-N 295.274 -0.670 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1[C@H]2CCNC[C@H]21 1575722226 IRSCORAWMXMNRB-DJLDLDEBSA-N 256.375 -0.254 50 20 CBGD COC(=O)c1cc(NNC(=O)CC2(O)CNC2)ccc1F 1578860314 LVNINMOIHBHYMA-UHFFFAOYSA-N 297.286 -0.220 50 20 CBGD COC[C@](C)(O)C(=O)NNc1ncccc1C(=O)O 1593954561 OTPVLLKNKZVNSY-NSHDSACASA-N 269.257 -0.380 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1ccc(C(=O)O)nc1 1601553845 XMYSSQNCPARQFQ-UHFFFAOYSA-N 294.267 -0.534 50 20 CBGD CC(C)(CNC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)C(=O)O 1603632509 SRVDLHQUPXTPJR-IWSPIJDZSA-N 299.327 -0.005 50 20 CBGD O=C(NNC(=O)C1CCC1)c1cc(-c2nn[nH]n2)ccn1 1606849741 WWWKSJQTJHFOCO-UHFFFAOYSA-N 287.283 -0.177 50 20 CBGD C=CCNC(=S)NNC(=O)Cn1cc([N+](=O)[O-])nc1C 49458123 BPPNYKIAVCJBDT-UHFFFAOYSA-N 298.328 -0.219 50 20 CBGD NC(=O)NCCC(=O)NNC(=O)CCOc1ccccc1 61650919 IYMLNBJHCWHDGQ-UHFFFAOYSA-N 294.311 -0.339 50 20 CBGD Cc1ccc(CC(=O)NNC(=O)C(=O)N2CCCC2)cn1 132194082 OCDNIMCLAMRTEK-UHFFFAOYSA-N 290.323 -0.298 50 20 CBGD Cc1nn(C)c(C)c1CC(=O)NNC(=O)N1CCOCC1 194898902 LWNWZESNMARLOG-UHFFFAOYSA-N 295.343 -0.348 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C(C)(C)C#N 265892801 QXNPXHKPIKQVAV-UHFFFAOYSA-N 268.317 -0.012 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCCO2)cnn1 294576750 HHRYLLLTNPYKDS-VIFPVBQESA-N 250.258 -0.275 50 20 CBGD O=S(=O)(CCCCl)NCCN1CCC(O)CC1 321171129 PCBJBFYFEYSERH-UHFFFAOYSA-N 284.809 -0.009 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)CN1CCCNC1=O 490754178 NERTYWFGYIHPPJ-UHFFFAOYSA-N 272.305 -0.042 50 20 CBGD COC(=O)N(C)NC(=O)c1ccc2nnc(O)n2c1 496133123 JWSJJVGFVAOLRY-UHFFFAOYSA-N 265.229 -0.222 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1OC[C@H]2COCC[C@@H]21 584910703 DCFZQSYGAMMCCY-JIMOISOXSA-N 291.112 -0.644 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1C[C@@]12CCOC2 584911927 ATMPATGVTBETJK-DGCLKSJQSA-N 261.086 -0.269 50 20 CBGD CCN1CCC(NC(=O)c2cccc(B(O)O)c2)CC1 584924946 AVDMKYAQCJCTJR-UHFFFAOYSA-N 276.145 -0.420 50 20 CBGD CCNC(=O)CN(CC)C(=O)c1ccc(B(O)O)c(F)c1 584932033 FFVODVUWVZWENR-UHFFFAOYSA-N 296.107 -0.896 50 20 CBGD C[C@@H](CNC(=O)c1ccc(B(O)O)c(F)c1)N(C)C1CC1 584938962 FMUYDNQCBZEOLZ-VIFPVBQESA-N 294.135 -0.282 50 20 CBGD CN(C[C@@H]1CCC[C@H]1O)C(=O)c1ccc(B(O)O)c(F)c1 584966623 GOBIHPFYCUIOQV-GXFFZTMASA-N 295.119 -0.262 50 20 CBGD CC(C)[C@H](NC(=O)c1ccc(B(O)O)cc1)C(C)(C)O 584981299 VGZXMCJEBIDTNV-LBPRGKRZSA-N 279.145 -0.108 50 20 CBGD OC[C@H]1CC[C@@H](NCc2ccc(B(O)O)o2)CC1 585028237 HPCGBZSFQHYOGL-AOOOYVTPSA-N 253.107 -0.400 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCn3ccnc3C2)c(F)c1 585037323 YVXJESWHKNAADJ-LBPRGKRZSA-N 289.119 -0.193 50 20 CBGD C[C@H](NCc1cccc(B(O)O)c1)C(=O)N1CCCC1 585038712 DIHTVZONTQUWPJ-NSHDSACASA-N 276.145 -0.533 50 20 CBGD C[C@@H]1[C@@H](CNCc2ccccc2B(O)O)N(C)CCN1C 585043354 NHTBOVBYHBBQRS-IUODEOHRSA-N 291.204 -0.910 50 20 CBGD CN1CC[C@H](c2nc(-c3ccc(B(O)O)cc3)no2)C1=O 585054949 OMOHOUYOMRXVHX-SNVBAGLBSA-N 287.084 -0.638 50 20 CBGD O=C(NCB(O)O)c1ccc2c(c1)OCCCO2 585057503 FWEKTEJBSVUWOP-UHFFFAOYSA-N 251.047 -0.410 50 20 CBGD CN(C)CC(=O)NNC(=O)CCNC(=O)C1CCCCC1 733359707 OGTOPISJOIRYOI-UHFFFAOYSA-N 298.387 -0.218 50 20 CBGD O=C(COC1CCOCC1)NNC(=O)N1CCOCC1 735272105 RNQIUDBOFZJBEX-UHFFFAOYSA-N 287.316 -0.745 50 20 CBGD CC(=O)N1CCC[C@H](C(=O)NNC(=O)NC(C)C)C1 745146545 ZKJJOWKEIPBRAF-JTQLQIEISA-N 270.333 -0.016 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNc1cccnn1 753090330 BUXCEBHRDXNGFY-SSDOTTSWSA-N 252.278 -0.243 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cc(C(=O)OC)co1 758126487 JYMOWMFFSLXVLD-UHFFFAOYSA-N 283.240 -0.128 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H]1CCC(=O)NC1 770245284 DTBIPYXCGAJBEI-SSDOTTSWSA-N 290.414 -0.629 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@@H]1CCCCS1(=O)=O 772422528 FZRRAUWBFHNWKD-VIFPVBQESA-N 289.357 -0.306 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1CO[C@H](C)C1 784149681 PYUUNXMQLHLZFJ-BDAKNGLRSA-N 259.306 -0.222 50 20 CBGD CCNC(=O)NNC(=O)C(C)(C)S(=O)(=O)C1CC1 785956201 OPSROZVPYRDBHD-UHFFFAOYSA-N 277.346 -0.308 50 20 CBGD CCCS(=O)(=O)CC(=O)NN(CC)CCO 823852774 PCZLFRJKHYBOOZ-UHFFFAOYSA-N 252.336 -0.843 50 20 CBGD CC1=NO[C@H](C(=O)NNC(=O)Cc2cc[nH]n2)C1 826667854 SGBRFEGPCRTXEH-QMMMGPOBSA-N 251.246 -0.736 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21 843657650 QAQLFLLULIMMJK-FBDQPXRJSA-N 268.313 -0.016 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)Cc1cccnc1 844375953 ACSWPMNKQIIHJP-UHFFFAOYSA-N 292.339 -0.066 50 20 CBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)N1)Nc1ccccc1 846096000 TVMMATJHKANGBP-VIFPVBQESA-N 298.324 -0.469 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccc(C(=O)OC)[nH]1 854920756 HWBZOTKVDCXLRL-UHFFFAOYSA-N 270.314 -0.118 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@@H]1CCCN1C(N)=O)C1CC1 855100778 IXXHDGARRBDAAU-CBAPKCEASA-N 299.400 -0.177 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCOC(=O)N2)o1 859955600 RNIUJZAXBRMHNW-SSDOTTSWSA-N 267.241 -0.152 50 20 CBGD Cc1cccc(NNC(=O)C2=NN3CCCN=C3N2)n1 862519399 FCVGGBCJPUPBAK-UHFFFAOYSA-N 273.300 -0.188 50 20 CBGD C[C@@H]1CC[C@H](C(=O)NNC(=O)CS(C)(=O)=O)C1 863464593 QYXMDHCBFJAPAS-SFYZADRCSA-N 262.331 -0.385 50 20 CBGD COC(=O)[C@]1(C)CCCN1C(=O)c1cccc(B(O)O)c1 863879043 MOUBUAMCJWZBSN-AWEZNQCLSA-N 291.112 -0.466 50 20 CBGD O=C1[C@@H](NS(=O)(=O)CCl)CCN1C1CCOCC1 867591930 JURVFNZVYBJTDU-VIFPVBQESA-N 296.776 -0.118 50 20 CBGD O=C(/C=C\CN1CCOCC1)NNC(=O)CC(F)(F)F 869019306 ACRCSROGVDJOJV-UPHRSURJSA-N 295.261 -0.025 50 20 CBGD CCOC(=O)[C@@H](C)NCc1ccc(B(O)O)cc1 877471636 VQDKIJQMXWOWFH-SECBINFHSA-N 251.091 -0.592 50 20 CBGD COC(=O)NNC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F 878000954 NUHHPBZQPHHSGI-UHNVWZDZSA-N 283.206 -0.312 50 20 CBGD C[C@@H]1OCCN(C(=O)NNC(=O)c2cccnn2)[C@H]1C 883851375 QVBBLXIOMRRBBN-IUCAKERBSA-N 279.300 -0.060 50 20 CBGD C[C@H](NCc1cccc(B(O)O)c1)[C@@H](C)C(=O)O 901444744 IWKSQNOUAGVFSH-BDAKNGLRSA-N 251.091 -0.435 50 20 CBGD CO[C@@]1(C(=O)N2CC[C@@H](B(O)O)C2)CCSC1 902552495 NELYGGPSWSLFLF-SCZZXKLOSA-N 259.136 -0.416 50 20 CBGD CO[C@]1(C(=O)NNC(=O)C(C)(C)O)CCSC1 907627234 PTXBOEKNAKAABA-SNVBAGLBSA-N 262.331 -0.573 50 20 CBGD C[C@]1(C(=O)N2C[C@@H](CO)[C@@H](O)C2)C[C@@H]1Br 909885333 UCTZJWQYTSWNKK-GHCJXIJMSA-N 278.146 -0.029 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccnn1CCN(C)C 909994614 YKQPSYMIPOTSSW-UHFFFAOYSA-N 284.389 -0.474 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)COC(F)(F)F 929445360 QJHACDKVEVJEJG-UHFFFAOYSA-N 271.195 -0.805 50 20 CBGD C[C@H](C#N)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1117678917 JNMAIXBRGGGABI-BDAKNGLRSA-N 259.331 -0.362 50 20 CBGD CCCNC(=O)NNC(=O)c1ccn(COC)n1 1118636450 QLNMFAJKKIKMQO-UHFFFAOYSA-N 255.278 -0.159 50 20 CBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1c(C)cccc1F 1255507830 IJPSKWXHMVCSHO-UHFFFAOYSA-N 297.242 -0.607 50 20 CBGD Cc1nn[nH]c1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1261500816 HLXHYUSANJNYFY-RNFRBKRXSA-N 253.262 -0.701 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCCCn1ccnc1 1319300527 XSUOKINYUWBRNN-UHFFFAOYSA-N 283.288 -0.833 50 20 CBGD Cc1nc[nH]c1C=NNC(=O)[C@@H](C)NS(C)(=O)=O 1319491869 YLCXNNSDKBZISS-SSDOTTSWSA-N 273.318 -0.894 50 20 CBGD COCc1cccc(NC(=O)C(=O)NNC(=O)CCO)c1 1320521072 LOJCEXKOSIYQAZ-UHFFFAOYSA-N 295.295 -0.699 50 20 CBGD COc1ccnc(NNC(=O)C[C@@H]2COC(=O)C2)n1 1322668215 RXUJHGVCSDMYQG-ZETCQYMHSA-N 266.257 -0.119 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1c([N+](=O)[O-])cnn1C 1326383634 SDQOMRRCUYXSSS-BQBZGAKWSA-N 297.271 -0.486 50 20 CBGD NC(=O)C(=O)NNC(=O)c1nc2ccccc2s1 1332400843 DRBOCNKLXAVHEH-UHFFFAOYSA-N 264.266 -0.457 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCCNC2=O)cc1 1333680378 SZSDQFYRZKGYOV-LLVKDONJSA-N 291.307 -0.018 50 20 CBGD CC(C)(C)n1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)nn1 1335329477 JLRJVJIITOIRSP-SSDOTTSWSA-N 294.315 -0.927 50 20 CBGD Cn1cc(C(=O)NNC(=O)NC2CC2)ccc1=O 1335851595 MJOBLXQRUURLJC-UHFFFAOYSA-N 250.258 -0.508 50 20 CBGD CCc1cc(C(=O)NNC(=O)C(=O)NC(C)C)c(C)nn1 1337828692 KVFYAQHQCWHUFP-UHFFFAOYSA-N 293.327 -0.367 50 20 CBGD CC(=O)NNC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 1338502258 VQHQPJRUQRSQDI-UWVGGRQHSA-N 278.268 -0.876 50 20 CBGD COC(=O)Cc1cccc(NC(=O)NNC(=O)CCO)n1 1338966213 JFNDPBCMABCZAN-UHFFFAOYSA-N 296.283 -0.668 50 20 CBGD CC(=O)NNC(=O)c1ccc(CNC(N)=O)cc1 1342655256 FXCCZIHCSHJJQS-UHFFFAOYSA-N 250.258 -0.364 50 20 CBGD Cc1nccc(CCC(=O)NNC(=O)Cc2cc[nH]n2)n1 1347802645 IHEAVSDJCQIBDV-UHFFFAOYSA-N 288.311 -0.169 50 20 CBGD CC1(C)C[C@@]1(C(=O)O)C(=O)NNC(=O)[C@H]1COCCO1 1589219650 PQZNUTZMLHRWTM-KRTXAFLBSA-N 286.284 -0.950 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CC=CC1)C1CCOCC1 1594779212 MHMUQSCKYCQVFC-UHFFFAOYSA-N 282.296 -0.019 50 20 CBGD O=C(O)CCC(=O)NNC(=O)NCC(F)(F)F 1594996874 SPFBHMPFVXVQSF-UHFFFAOYSA-N 257.168 -0.256 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@]1(C(=O)O)C[C@H](O)C1 1596862804 KHNIRQKYKWZKTP-LLOBYHNASA-N 254.242 -0.475 50 20 CBGD O=C(O)C(=O)NN=Cc1cnc(N2CCCC2)nc1 1610714208 JTPBIIJFEXGINJ-UHFFFAOYSA-N 263.257 -0.389 50 20 CBGD CCCCO[C@H](C)C(=O)NNC(=O)C(=O)NC1CC1 68500742 DCHUEPYPFJJGRO-MRVPVSSYSA-N 271.317 -0.382 50 20 CBGD COCC(=O)NNC(=S)NCCc1ccccn1 102503814 KWHOBWUUSQTCNY-UHFFFAOYSA-N 268.342 -0.234 50 20 CBGD CCc1ncc(NC(=O)NNC(=O)CN(C)C)cn1 119750866 JLNHDTIWPGERNN-UHFFFAOYSA-N 266.305 -0.247 50 20 CBGD C[C@H](O)C(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C 273315978 WILWJIZBJKADHG-BQBZGAKWSA-N 275.305 -0.572 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)CN2CCOCC2)n1 273563828 WTXRQYNNXOVXJP-UHFFFAOYSA-N 286.723 -0.513 50 20 CBGD NC(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CCCO2)n1 292702453 NSCWKKLLRAKKBF-QMMMGPOBSA-N 293.283 -0.488 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=O)Cn1nc(C)cc1C 298588168 QSKBWBJUSURYFK-UHFFFAOYSA-N 297.315 -0.654 50 20 CBGD O=C(NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C(=O)N1CCCC1 377785943 UDSKVTLJWHALDU-GARJFASQSA-N 295.339 -0.429 50 20 CBGD C[C@@H](O)C[C@@H]1CCCN1C(=O)c1cccc(B(O)O)c1 584966081 VYIGTYHBCRDZKD-MFKMUULPSA-N 277.129 -0.258 50 20 CBGD CN1CC=C(CNC(=O)c2ccc(B(O)O)cc2)CC1 584971656 WQOSSYQPODQOPQ-UHFFFAOYSA-N 274.129 -0.642 50 20 CBGD C[S@@](=O)C1(CNC(=O)c2ccc(B(O)O)cc2)CCC1 584986543 ZNRUCIPDYHCVAX-HXUWFJFHSA-N 295.169 -0.603 50 20 CBGD CN(C(=O)c1cccc(B(O)O)c1)[C@@H]1CCCOC1 584988121 FBBSPVKTDKQHKD-GFCCVEGCSA-N 263.102 -0.383 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCO[C@H](CF)C1 585002563 YTBWNIYPOQVXKI-SECBINFHSA-N 285.055 -0.684 50 20 CBGD OC[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NCc1ccc(B(O)O)o1 585041488 YEEKLXPYRUJTOJ-LKAMGYQZSA-N 265.118 -0.544 50 20 CBGD Cc1ncccc1C=NNC(=O)[C@@H](C)NS(C)(=O)=O 728780879 DSQGRBIIBGNWOU-SECBINFHSA-N 284.341 -0.222 50 20 CBGD C[C@H](C(=O)NNC(=O)CNc1ccccc1)S(C)(=O)=O 729513749 NNRHDEJJFYQDQA-SECBINFHSA-N 299.352 -0.321 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)cn1 735446016 PBKREXZVHIAVIH-MRVPVSSYSA-N 291.311 -0.808 50 20 CBGD Cn1cccc1CNC(=O)NNC(=O)C(=O)N1CCCC1 745925787 VTNXAAGRYOGDPT-UHFFFAOYSA-N 293.327 -0.522 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CC(=O)N(C(C)C)C1 750643681 LDTAFWVBQFUNIA-SECBINFHSA-N 286.332 -0.637 50 20 CBGD COCC(C)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 750935902 JOCUUUVLMGZQQK-MRVPVSSYSA-N 263.319 -0.505 50 20 CBGD O=C(CN1CC[C@H](N2CCCC2=O)C1)NNC(=O)C1CC1 761115313 RBRAXAZPXZVYIY-NSHDSACASA-N 294.355 -0.760 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2C[C@]23CCOC3)cn1 763478412 CDLYKKSOELWAMK-SKDRFNHKSA-N 264.285 -0.392 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)N(C)CC2 763514989 CTBROGAJBBGXIS-UHFFFAOYSA-N 276.296 -0.215 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cc(C(N)=O)cs2)n[nH]1 768275951 FZARGAVRSPLSBI-UHFFFAOYSA-N 293.308 -0.047 50 20 CBGD CN(NC(=O)CCS(=O)(=O)C1CCCC1)C(N)=O 770439492 GWEAIEQFOXYISC-UHFFFAOYSA-N 277.346 -0.224 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1ccoc1 771931511 ZKULTXISRLWREE-UHFFFAOYSA-N 253.258 -0.506 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](O)C1CC1 772099355 VPVSAEMWXFLQTQ-HZGVNTEJSA-N 258.274 -0.754 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(C(=O)OC)CC1 772349724 GBYDHSDRHOYWCS-SSDOTTSWSA-N 286.284 -0.571 50 20 CBGD O=C(CO)NNC(=O)c1ccn(Cc2ccccc2)n1 776188787 MDIXAYCZWVHWDI-UHFFFAOYSA-N 274.280 -0.315 50 20 CBGD CN(NC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O)C(N)=O 778418583 NWAWDPXKCCMZJD-WHFBIAKZSA-N 282.222 -0.515 50 20 CBGD CCNC(=O)N(C)NC(=O)CCCS(C)(=O)=O 780708643 IHTUEBNRAUBVHZ-UHFFFAOYSA-N 265.335 -0.496 50 20 CBGD COC[C@@H](NS(=O)(=O)CBr)C(=O)OC 782477281 QOZAKIWSQATTSW-RXMQYKEDSA-N 290.135 -0.554 50 20 CBGD COCCCNC(=O)NNC(=O)c1cc([N+](=O)[O-])n[nH]1 795588279 NLABXWRFOJXKHG-UHFFFAOYSA-N 286.248 -0.702 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cc(C(=O)O)c(C)[nH]1 800815602 GYUKDFRDHZKXPJ-UHFFFAOYSA-N 282.256 -0.173 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H]1CCCN1S(C)(=O)=O 804123928 MGRGMIQAYVXIFU-ZETCQYMHSA-N 279.318 -0.860 50 20 CBGD CC(=NNC(=O)C(N)=O)c1cc2c(cc1[N+](=O)[O-])OCO2 814695743 PFQSYHLYZCKABJ-UHFFFAOYSA-N 294.223 -0.351 50 20 CBGD Cc1cc(C)nc(NNC(=O)C2(S(N)(=O)=O)CC2)n1 816837145 LHZQPWBQWXGNNJ-UHFFFAOYSA-N 285.329 -0.642 50 20 CBGD CCOC(=O)c1ccc(C(=O)NNC(=O)CN(C)C)nc1 825709342 UDOQAKHJTPDCFM-UHFFFAOYSA-N 294.311 -0.419 50 20 CBGD Cc1ccc(NNC(=O)NC2CN(C(=O)O)C2)nn1 830396108 UJNWIWHGHLEFMK-UHFFFAOYSA-N 266.261 -0.227 50 20 CBGD COc1cc(C)nc(NNC(=O)N[C@H]2COC[C@H]2OC)n1 838777575 FGJANUAITLNBDZ-DTWKUNHWSA-N 297.315 -0.166 50 20 CBGD C[C@@H](C(=O)NNC(=O)CN(C)C)C(=O)OC(C)(C)C 840857426 LQUYYYLUSJTNHX-QMMMGPOBSA-N 273.333 -0.327 50 20 CBGD CCC1(C(=O)NNC(=O)c2ncccn2)COC1 841349938 BZSMVBBLRDSXCF-UHFFFAOYSA-N 250.258 -0.336 50 20 CBGD C[C@@H](N)CNC(=O)NNC(=O)COc1ccccc1F 841983683 FPOBJJLTCRQYSU-MRVPVSSYSA-N 284.291 -0.118 50 20 CBGD O=C(CN1CC[C@H]2CC[C@@H](C1)N2)NNC(=O)C1CC1 843352784 VDBCLCFKQQJTAK-MNOVXSKESA-N 266.345 -0.630 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(CO)cc1 853303303 LDEBESNLHWBWII-SECBINFHSA-N 299.352 -0.433 50 20 CBGD COCCCNC(=S)N(C)NC(=O)c1ccn(C)n1 854281605 YLAQHWPWWASQLL-UHFFFAOYSA-N 285.373 -0.092 50 20 CBGD C[C@@H]1CCCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858690614 AQZSUNQSSKTBGI-RKDXNWHRSA-N 268.317 -0.262 50 20 CBGD CCC(C#N)(CC)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862463749 LDROMMTYJSYTAS-MRVPVSSYSA-N 266.301 -0.258 50 20 CBGD CC(C)CC(=O)NCCC(=O)NNC(=O)c1cn[nH]c1 862471606 HVMBYWIXIUWYHV-UHFFFAOYSA-N 281.316 -0.277 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cnn(C(F)F)c1 867672168 CRTBCJNENZDEOP-UHFFFAOYSA-N 262.216 -0.190 50 20 CBGD O=C(c1cc(F)cnc1O)N1CC[C@H](B(O)O)C1 902552364 JRKWFUWASDOQIO-LURJTMIESA-N 254.026 -0.385 50 20 CBGD CN1C[C@H](NC(=O)[C@@]2(C)C[C@@H]2Br)C(=O)N1 907221756 XZLNKTAGCZMNAS-WATHFIQWSA-N 276.134 -0.379 50 20 CBGD O=C(C[C@H]1CCCC[C@@H]1O)NNC(=O)CN1CCCC1=O 913732827 KGKNVESNIPVDRS-MNOVXSKESA-N 297.355 -0.303 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1c2c(nn1C)CCC2 1116604668 UHDDRPHHBXXLHB-UHFFFAOYSA-N 295.299 -0.375 50 20 CBGD CN1CC[C@@H](NC(=O)NNC(=O)Cc2ccncc2)C1=O 1116630829 RJDDVVXSIVCPHJ-SNVBAGLBSA-N 291.311 -0.815 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccnc2c1ncn2C 1117705867 MDFQKBORMFBKFM-UHFFFAOYSA-N 262.273 -0.116 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@@H](C)c1nnnn1C 1120795721 BKQNAMZKDLSGDB-DGUDBNDOSA-N 250.262 -0.169 50 20 CBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNc2nc3ccccn3n2)O1 1154238940 MRNIWZKQRFHSHR-JGVFFNPUSA-N 290.283 -0.795 50 20 CBGD Cn1ccnc(NNC(=O)c2cncc(Cl)n2)c1=O 1255823394 IOYDWNIGOWZUBY-UHFFFAOYSA-N 280.675 -0.019 50 20 CBGD CNC(=O)NNC(=O)CCn1cc([N+](=O)[O-])nc1C 1318085751 GBSLRAPKEHUWKM-UHFFFAOYSA-N 270.249 -0.550 50 20 CBGD CC(=O)N1CC[C@](C)(C(=O)NNC(=O)N(C)C)C1 1318876720 MQQGWSYGOPNKQR-NSHDSACASA-N 256.306 -0.453 50 20 CBGD Cc1nnc(NNC(=O)C(=O)N2CCC[C@H](C)C2)nc1O 1321272608 XUGFHEQLWUJXSJ-ZETCQYMHSA-N 294.315 -0.413 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1csnn1 1322028132 FKBNAFROUQOLCS-UHFFFAOYSA-N 285.329 -0.396 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CCOC[C@@H]1C 1325017324 KZZPGGCUOGNMJL-YUMQZZPRSA-N 273.289 -0.838 50 20 CBGD O=C(CCC(=O)N1CCC(O)CC1)NNC(=O)CC1CC1 1325073835 QPPUUOQSCVTRST-UHFFFAOYSA-N 297.355 -0.303 50 20 CBGD CN(C)c1nc(N)nc(C(=O)NNc2ncccn2)n1 1327877349 ZCIZOBOTKHQJRN-UHFFFAOYSA-N 275.276 -0.933 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCn2ccnc2C1 1328150337 ULPVCSPDFMWNME-QMMMGPOBSA-N 266.301 -0.636 50 20 CBGD O=C(NNc1cccc(F)n1)c1cnn(C[C@H](O)CO)c1 1328317198 PXKJCACLNFVUEA-VIFPVBQESA-N 295.274 -0.473 50 20 CBGD O=C(NNC(=O)C1CCOCC1)N[C@@H]1CCOC1 1330846854 PSXUUFCCWMGORB-SECBINFHSA-N 257.290 -0.468 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCn2ccnc2C1 1332175273 MRSYWVYWPLMIOW-UWVGGRQHSA-N 252.318 -0.211 50 20 CBGD C[C@H](NNC(=O)C[C@@H]1CC(=O)NC1=O)C(F)(F)F 1333486086 YSZXPLIFAVFLLN-WHFBIAKZSA-N 267.207 -0.389 50 20 CBGD C[C@@H](NNC(=O)CN1C(=O)CCC1=O)C(F)(F)F 1350013874 FSZRPOLTTURXMT-RXMQYKEDSA-N 267.207 -0.293 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1CCCN1C=O 1350524362 COOGMFBFPGPSRD-QMMMGPOBSA-N 258.347 -0.489 50 20 CBGD Cn1cc(C(=O)NNC(=O)C2(C(=O)O)CCOCC2)cn1 1594530464 VJWTZVKADAMRCU-UHFFFAOYSA-N 296.283 -0.938 50 20 CBGD Cn1nc(C(=O)O)cc1C(=O)NNC(=O)c1cccnc1 1594568914 RPELLKGDGOIUFO-UHFFFAOYSA-N 289.251 -0.412 50 20 CBGD O=C(O)C1=NO[C@H](C(=O)NNc2cccnn2)C1 1594890739 SVHBSTHSQWXIFS-LURJTMIESA-N 251.202 -0.851 50 20 CBGD COC(=O)Cn1cccc1C=NNC(=O)C(=O)O 1598875113 RSSOUBXDNXLRIV-UHFFFAOYSA-N 253.214 -0.804 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCOC12CCCCC2 1601553138 VFTZFNURYINHPD-MRVPVSSYSA-N 285.300 -0.107 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@H]1C(=O)O)[C@@H]1Cc2ccccc2O1 1601555855 KLGJZFHIKFLFLC-NGZCFLSTSA-N 290.275 -0.142 50 20 CBGD O=C(O)CC(=O)NNC(=O)Cc1ccccc1O 1601888218 PFJWPMYTNSVOJJ-UHFFFAOYSA-N 252.226 -0.443 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCO[C@@H](C2CC2)C1 1608477555 LIDDPMHHVAVDQJ-JGVFFNPUSA-N 271.273 -0.641 50 20 CBGD CCO[C@@H]1C[C@H]1C(=O)NN=Cc1cn(CC(=O)O)nn1 1776102469 QQSKNRSOHNYIQO-RKDXNWHRSA-N 281.272 -0.762 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1cccs1 8389916 GTIBHXLBIXSYBZ-UHFFFAOYSA-N 269.326 -0.037 50 20 CBGD CNC(=O)NNC(=O)c1ccc([S@](C)=O)cc1 48950057 BVFSMQYREGMULX-QGZVFWFLSA-N 255.299 -0.002 50 20 CBGD C[C@@H](CC(=O)NNC(=O)C(=O)NC1CC1)C1CC1 49086626 VPDXDRSQXWJBCG-ZETCQYMHSA-N 253.302 -0.151 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CCOC2)n1 49353959 IWAZDTHHLZGCFK-JTQLQIEISA-N 266.301 -0.316 50 20 CBGD Cn1nc(C(=O)NNC(=O)NCc2ccco2)ccc1=O 138997260 WWPPMGBNUSRIDJ-UHFFFAOYSA-N 291.267 -0.483 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCOC 265888269 PBYBNVSVYYGQJJ-UHFFFAOYSA-N 259.306 -0.525 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccc(-n2cnnn2)cc1 272662632 HYSAGOGAFDOVNU-UHFFFAOYSA-N 289.299 -0.032 50 20 CBGD CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)C1CC1 285292025 XLDZRCKZUNRXSC-JTQLQIEISA-N 253.302 -0.055 50 20 CBGD C=C(C)COCCNC(=O)c1ccc(B(O)O)c(F)c1 584959942 MLWJDOLJWGYCDE-UHFFFAOYSA-N 281.092 -0.172 50 20 CBGD C[C@@H]1c2nncn2CCN1C(=O)c1ccc(B(O)O)cc1 584980656 GXTFNLBMRVYSRT-SECBINFHSA-N 286.100 -0.825 50 20 CBGD O=C(N[C@@H]1CCC[C@@H](CO)C1)c1ccc(B(O)O)c(F)c1 585000693 NOKNVZKPYIOIKS-MWLCHTKSSA-N 295.119 -0.214 50 20 CBGD OB(O)c1cccc(CNC[C@@H](O)COCC2CC2)c1 585020219 PSILXFXROFPSSQ-CQSZACIVSA-N 279.145 -0.757 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCN(C3CC3)C2)cc1 585022608 SJILUQIDHAJTNQ-ZDUSSCGKSA-N 260.146 -0.307 50 20 CBGD C[C@H](CCCO)NCc1ccc(B(O)O)cc1F 585028180 GAMNVIGSGWQJBW-SECBINFHSA-N 255.098 -0.244 50 20 CBGD OCCC1(CNCc2ccc(B(O)O)o2)CCC1 585030141 FMEUNJAUIHBJRD-UHFFFAOYSA-N 253.107 -0.398 50 20 CBGD CC[C@@H](C)NC(=O)[C@H](C)NCc1ccc(B(O)O)cc1 585032291 FDTLSKLAXUSDRN-MNOVXSKESA-N 278.161 -0.241 50 20 CBGD C[C@@H](CNCc1ccc(B(O)O)cc1F)N(C)C 585033063 WINZWYQVMOWHHW-VIFPVBQESA-N 254.114 -0.455 50 20 CBGD OC[C@H](C1CC1)[C@H](NCc1ccc(B(O)O)o1)C1CC1 585043387 LETSEYIZCNXIGG-TZMCWYRMSA-N 279.145 -0.154 50 20 CBGD OB(O)c1ccc(CN2CCc3n[nH]cc3C2)cc1 585050302 WOULRGHUJHSERQ-UHFFFAOYSA-N 257.102 -0.352 50 20 CBGD O=C(NCB(O)O)c1cnc(S)n1-c1ccccc1 585056007 NABGGWGUHKMMCQ-UHFFFAOYSA-N 277.114 -0.097 50 20 CBGD Cc1cc(S(=O)(=O)NCB(O)O)c(F)cc1F 585056183 QGIFKQZWCITPLL-UHFFFAOYSA-N 265.046 -0.436 50 20 CBGD O=C(NCB(O)O)[C@@H]1CC(=O)N(c2ccccc2F)C1 585058042 RLVGJNDNEIPFNH-MRVPVSSYSA-N 280.064 -0.693 50 20 CBGD O=C(CCN1CCCS1(=O)=O)NNC(=O)C1CCC1 732143851 GYISGWINUHHRRX-UHFFFAOYSA-N 289.357 -0.641 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1cccc2c1CCCC2 764421098 FORLDWSQQCDKRX-UHFFFAOYSA-N 291.307 -0.356 50 20 CBGD O=C(NCC1(N2CCOCC2)CC1)NNc1cccnn1 764831805 VAPVRADTLXXNBL-UHFFFAOYSA-N 292.343 -0.033 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@](C)(O)C(C)C 771328583 WLLNFGCDNYWKSN-NSHDSACASA-N 254.290 -0.114 50 20 CBGD NC(=O)N[C@H](CO)C(=O)NNc1c(F)cccc1Cl 771673956 JRIUXZAYNOYMAB-SSDOTTSWSA-N 290.682 -0.049 50 20 CBGD COc1cc(C(=O)NNC(=O)c2ccc[nH]2)nn1C 771880696 IZRXXQOIFCXNMV-UHFFFAOYSA-N 263.257 -0.168 50 20 CBGD COC1(CNC(=O)NNC(=O)C(=O)N2CCCC2)CCC1 780858383 GEPOWEPATPPVMN-UHFFFAOYSA-N 298.343 -0.492 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)N=c1cc[nH]cc1 802036409 WENWPHMKWAGCSL-VIFPVBQESA-N 277.284 -0.723 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cn[nH]c2)CC1 807380981 YWGBWEFNQWSIQD-UHFFFAOYSA-N 252.278 -0.989 50 20 CBGD CC1CCN(S(=O)(=O)NNC(=O)c2cnccn2)CC1 808072505 JEXJTCFAILBUJM-UHFFFAOYSA-N 299.356 -0.312 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN[C@@]1(C)CCOC1=O 810098576 RJBVHLAYLBWDNY-LBPRGKRZSA-N 271.317 -0.525 50 20 CBGD C[C@@H](NC(=O)NNc1ncncc1F)[C@@H]1CN(C)CCO1 814313584 CROJGIXTPVEOSY-SCZZXKLOSA-N 298.322 -0.039 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)N(C)C)n1C 815146933 MMGMZPFWLQZBAO-UHFFFAOYSA-N 268.273 -0.272 50 20 CBGD COCCN(C)NC(=O)CNC(=O)Cc1ccccc1 816561054 JXNWWBDQJGFKKL-UHFFFAOYSA-N 279.340 -0.045 50 20 CBGD CCN(CCO)NC(=O)Cc1ccc(OC)cn1 823879919 XPZVUYPHUWEXRU-UHFFFAOYSA-N 253.302 -0.022 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cccc(C(N)=O)c1 823977251 RQUYWQBTJAEEGT-MRVPVSSYSA-N 251.286 -0.257 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CCN(c2ccccc2)C1 827895870 WRKDREFEXQSJTJ-JTQLQIEISA-N 263.297 -0.347 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ncoc1-c1ccon1 832749229 FKYYMURCVMMCOI-UHFFFAOYSA-N 280.240 -0.139 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1 843657528 PMOIRRXVOXUKNM-XVKPBYJWSA-N 269.301 -0.963 50 20 CBGD CNC(=S)N(C)NC(=O)CCCC(=O)N(C)C 854923857 LIDQXKLFBKODRY-UHFFFAOYSA-N 260.363 -0.288 50 20 CBGD CCS(=O)(=O)CC(=O)NNC(=S)N[C@@H](C)C1CC1 855103006 PMGBFIQJLVPIOW-ZETCQYMHSA-N 293.414 -0.285 50 20 CBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)NCC(F)(F)F 861514366 BZHAVJZJNUCIBB-LURJTMIESA-N 284.238 -0.350 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCN1C1CC1)c1cn[nH]c1 862470649 UEHJHLCJYCZIIG-JTQLQIEISA-N 263.301 -0.203 50 20 CBGD CC(C)(C)N1C[C@H](C(=O)NNC(=O)c2cn[nH]c2)CC1=O 862473236 KERBQFFGHXGHDZ-MRVPVSSYSA-N 293.327 -0.182 50 20 CBGD COC(=O)[C@@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F 863868652 CRZUFOKBVKGKED-NSHDSACASA-N 295.075 -0.717 50 20 CBGD CN1CCC(ONC(=O)c2cc(B(O)O)ccc2F)CC1 863881259 ONBXNUGYBOIGFT-UHFFFAOYSA-N 296.107 -0.739 50 20 CBGD C#CCO[C@H](C)C(=O)NNC(=O)Cc1cc(C)[nH]n1 869017934 VHRBWACPAXOEES-SECBINFHSA-N 264.285 -0.554 50 20 CBGD CCOC(C)(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 869385537 NNQIYODFJGRCQE-ZETCQYMHSA-N 257.290 -0.773 50 20 CBGD COC(OC)C(=O)NNC(=O)Cn1cnc2ccccc21 873781305 YRTJPVQTAZUYJZ-UHFFFAOYSA-N 292.295 -0.197 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@@H](O)C1)c1ccc2c(c1)OCCO2 873877181 LILRGJCQFZIDQD-AOOOYVTPSA-N 292.291 -0.010 50 20 CBGD CC(C)NC(=O)NNC(=O)CCN1CCOCC1 914851717 MPQUACZNMLMMQH-UHFFFAOYSA-N 258.322 -0.553 50 20 CBGD CNC(=O)NNC(=O)c1c([N+](=O)[O-])c(C)nn1C 1115887930 JNURBUWHUOIBBY-UHFFFAOYSA-N 256.222 -0.789 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cnsn1 1116116014 VROBDCKVIOTXFA-UHFFFAOYSA-N 285.329 -0.396 50 20 CBGD CCNC(=O)N(C)NC(=O)c1csc(CCN)n1 1118269287 BGJHGPRBBAWZGH-UHFFFAOYSA-N 271.346 -0.050 50 20 CBGD CCNC(=O)NNC(=O)c1cnc2c(cnn2C)c1 1318891326 WMLNGEFMEFARKD-UHFFFAOYSA-N 262.273 -0.068 50 20 CBGD Cc1ccnc(NNC(=O)CN2C(=O)CNC2=O)c1 1319561941 KMKRFLLXIQDGHK-UHFFFAOYSA-N 263.257 -0.615 50 20 CBGD Cc1ccc(C(=O)NNC(=O)COCc2nncn2C)o1 1324312288 LASULKSYPDPMOD-UHFFFAOYSA-N 293.283 -0.306 50 20 CBGD C=CCNC(=S)NNC(=O)C(=O)NCC(F)F 1326979864 XUIABUOOZLJMTF-UHFFFAOYSA-N 266.273 -0.951 50 20 CBGD Cc1n[nH]cc1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1327705957 JHJZLACPDMCAHR-SECBINFHSA-N 286.357 -0.176 50 20 CBGD C[C@@H](C(=O)NNC(=O)N(C)C)n1cnc2c(N)ncnc21 1330237888 PWBIPVMQGHDMES-LURJTMIESA-N 292.303 -0.728 50 20 CBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NN=c1cc[nH]cc1 1521309056 RWYHMWFKBDDJGI-CMPLNLGQSA-N 261.329 -0.665 50 20 CBGD COC(=O)c1cccc(NNC(=O)[C@@H]2COCCN2)c1 1573941433 FZHJTNZGGGKHSI-NSHDSACASA-N 279.296 -0.095 50 20 CBGD CO[C@@H]1CN[C@@](C)(C(=O)NNC(=O)c2cccn2C)C1 1573960219 HJEITUJUFBHIDX-TVQRCGJNSA-N 280.328 -0.447 50 20 CBGD C[C@@H]1CCN[C@@H](C(=O)NNC(=O)c2ncon2)C1 1576745850 WMHKLWVHZZSYJZ-RNFRBKRXSA-N 253.262 -0.781 50 20 CBGD Nc1ccnc(CNC(=O)c2cccc(B(O)O)c2)c1 1580462850 QZIUCRMUOZUDGX-UHFFFAOYSA-N 271.085 -0.726 50 20 CBGD C#CCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1588354072 PDNFBRBAUMHTBB-UHFFFAOYSA-N 285.267 -0.556 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1C[C@@H](C(=O)O)C1 1589414783 BIFLQNSRMMEGQL-RBXMUDONSA-N 285.300 -0.395 50 20 CBGD Cn1nc(C(=O)O)cc1C(=O)NNc1ccncn1 1594568226 JXCYHMRDSGXTPC-UHFFFAOYSA-N 262.229 -0.335 50 20 CBGD C[C@@H]1C[C@H](C(=O)O)CCN1C(=O)c1cccc(B(O)O)c1 1599877958 QBZRLPGLRASCEN-MWLCHTKSSA-N 291.112 -0.308 50 20 CBGD O=C(O)c1ccc(NNC(=O)[C@H]2COCCO2)nc1 1602384911 MMPAMBVQTJOBEM-MRVPVSSYSA-N 267.241 -0.362 50 20 CBGD COC[C@](C)(NS(=O)(=O)CBr)C(=O)O 1606792068 VKUNUTIWWZMNIW-LURJTMIESA-N 290.135 -0.252 50 20 CBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl)C(O)O 1796804698 OAYJGZCDZKOIKP-YWIQKCBGSA-N 294.710 -0.530 50 20 CBGD CCn1cc(C(=O)NNC(=O)[C@@H]2CCCO2)cn1 114318013 YOTOEYZZQYKCKC-VIFPVBQESA-N 252.274 -0.157 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cc(C(=O)OC)c(C)o1 267509819 JVVHAGDRHNLEJT-UHFFFAOYSA-N 291.285 -0.503 50 20 CBGD COCCC(=O)NNC(=S)NCCSC 271333458 VWPIJLZBMXBTHH-UHFFFAOYSA-N 251.377 -0.119 50 20 CBGD CC(C)CC(=O)NNC(=O)NCC(=O)N1CCOCC1 272148754 YALJYJWGWYDBFM-UHFFFAOYSA-N 286.332 -0.778 50 20 CBGD COc1ccc(C(=O)NNC(=O)C(C)(C)O)c(O)c1 278005991 RFCQEWQTZDURKQ-UHFFFAOYSA-N 268.269 -0.067 50 20 CBGD CC(C)n1cnc(C(=O)NNC(=O)CN(C)C)c1 282134185 YZWZUFZVLKMGTF-UHFFFAOYSA-N 253.306 -0.213 50 20 CBGD COC(=O)COCC(=O)NNC(=O)c1ccccc1F 287281400 VMCPPEJEJLGJBO-UHFFFAOYSA-N 284.243 -0.224 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cn(C)cn2)O1 293783546 BPOYWRHZSPHXQQ-CBAPKCEASA-N 252.274 -0.251 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H](O)c2ccccn2)O1 293982241 SZDVBNHRRVVFNQ-LSJOCFKGSA-N 279.296 -0.170 50 20 CBGD CS(=O)(=O)C1(C(=O)Nc2cccc(B(O)O)c2)CCC1 584914497 YICHTZWKCAARSD-UHFFFAOYSA-N 297.141 -0.728 50 20 CBGD C[C@@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)CN1C1CC1 584956837 BRZYPOQKYJOXBA-MFKMUULPSA-N 288.156 -0.279 50 20 CBGD CC(C)(O)C1CN(C(=O)c2cc(B(O)O)ccc2F)C1 584979012 INTIHVRDOIAPRM-UHFFFAOYSA-N 281.092 -0.652 50 20 CBGD CCC[C@]1(CO)CCN(C(=O)c2ccc(B(O)O)cc2)C1 584994101 XLFQHQNCXGJBRU-HNNXBMFYSA-N 291.156 -0.009 50 20 CBGD CCN(CC)C(=O)CNCc1ccc(B(O)O)cc1 585019471 NLJDVHZQBJCYEC-UHFFFAOYSA-N 264.134 -0.676 50 20 CBGD C[C@H](NCc1cccc(B(O)O)c1)c1cnn(C)c1 585025150 MUCKSNHPQLJBBQ-JTQLQIEISA-N 259.118 -0.049 50 20 CBGD CC(C)[C@H](O)CNCc1ccc(B(O)O)cc1F 585025613 YPXWLZUMVKRBPM-GFCCVEGCSA-N 255.098 -0.388 50 20 CBGD OB(O)c1ccc(CNCCN2CCSCC2)c(F)c1 585032931 RMQNSEJAIZWCRH-UHFFFAOYSA-N 298.192 -0.356 50 20 CBGD CCN(C)C(=O)[C@H](C)NCc1ccccc1B(O)O 585037525 APOPUNIIPYPWDZ-JTQLQIEISA-N 264.134 -0.677 50 20 CBGD NS(=O)(=O)C[C@H]1CCCCN1S(=O)(=O)CCl 694902812 WVLCBAPAIQRROQ-SSDOTTSWSA-N 290.794 -0.345 50 20 CBGD CNC(=O)NNC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O 726528352 STAWRQIZINAHJV-ZETCQYMHSA-N 297.315 -0.800 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=S)NCC1CCC1 727867133 QPWZWMOWQSDRRL-SSDOTTSWSA-N 272.374 -0.194 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CS(=O)(=O)C(C)C 732084440 HQDVDDWVAYCYEC-UHFFFAOYSA-N 288.329 -0.698 50 20 CBGD CO[C@H](C)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 732262391 SBDLCVYDZXMUOG-OUAUKWLOSA-N 287.360 -0.332 50 20 CBGD CN(CCNC(=O)NNC(=O)C(=O)N1CCCC1)C1CC1 732891819 URLZAGQWTXRUPE-UHFFFAOYSA-N 297.359 -0.967 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 733359445 PDWJMEFASIEHSH-SECBINFHSA-N 284.360 -0.658 50 20 CBGD CCCCCS(=O)(=O)CC(=O)NNC(=O)CN(C)C 733359729 YZWFKIZPWZZNJX-UHFFFAOYSA-N 293.389 -0.700 50 20 CBGD O=C(Cc1ccccn1)NNC(=O)[C@H]1C[C@@H]1C(=O)O 739349435 MPEUUYSXOMVWIO-IUCAKERBSA-N 263.253 -0.508 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NC2CCCC2)N1 744060528 IBIRDINYRABBGQ-QMMMGPOBSA-N 254.290 -0.462 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@H](CO)C1 746461933 GJEVPGWLIKBCKE-MNOVXSKESA-N 271.361 -0.117 50 20 CBGD COc1nccnc1NNC(=O)CN(C)C(C)=O 764462850 AAPPDHGKYHBMNF-UHFFFAOYSA-N 253.262 -0.593 50 20 CBGD CCC(CC)N1C[C@@H](C(=O)NNC(=O)C(C)(C)O)CC1=O 768260943 YTTIRZAYYVAVPH-VIFPVBQESA-N 299.371 -0.058 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H](C)N1C(=O)CCC1=O 768409262 HAIXZOZOSLWATM-SSDOTTSWSA-N 270.289 -0.784 50 20 CBGD COc1cc2c(cc1OC)C(=NNC(=O)CO)C(=O)N2 776783073 MSSUXSHPCHIASU-UHFFFAOYSA-N 279.252 -0.532 50 20 CBGD CCSc1ccc(C(=O)NNC(=O)CO)cn1 777781513 XOHFBFQCPFRZOE-UHFFFAOYSA-N 255.299 -0.053 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc([N+](=O)[O-])cc1 782831412 QUWQBACPKCBBRN-UHFFFAOYSA-N 254.202 -0.260 50 20 CBGD CS(=O)(=O)C1(C(=O)NN=c2cc[nH]cc2)CC1 792303219 LEDDTVQXCMYLKE-UHFFFAOYSA-N 255.299 -0.476 50 20 CBGD C[C@H]1CC(=O)CC[C@H]1C(=O)NNC(=O)N1CCN(C)CC1 807379834 FWKNXGIFJZIUTL-CMPLNLGQSA-N 296.371 -0.020 50 20 CBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)N1CCN(C)CC1 807383351 VSTXSVLGRXZTTG-SECBINFHSA-N 286.332 -0.826 50 20 CBGD COCCN(C)NC(=O)c1ccc2nnc(O)n2c1 816561238 QCOFBRRDTTTYKZ-UHFFFAOYSA-N 265.273 -0.342 50 20 CBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)c1cccnc1 816817396 ASHMFCZZGDULBB-DTWKUNHWSA-N 262.269 -0.646 50 20 CBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCCCO1 820936231 IIWUNHSGTUANQD-OPRDCNLKSA-N 284.312 -0.098 50 20 CBGD CC[C@H](NC(=O)NNC(=O)C(=O)NC1CC1)C1CC1 822572759 SFHNFIFGJMVYOZ-VIFPVBQESA-N 268.317 -0.216 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCC[C@H](C(N)=O)C1 823935499 SGFRCZQGJHRPRK-UTLUCORTSA-N 257.334 -0.378 50 20 CBGD CC(C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 824185259 SRRGJDXYFFPOEH-UHFFFAOYSA-N 263.261 -0.388 50 20 CBGD C#CCO[C@@H](C)C(=O)NNC(=O)N1CCN(C)CC1 830240609 FHEKIAHAOAFGGF-JTQLQIEISA-N 268.317 -0.987 50 20 CBGD O=C(NNc1nc(-c2cccnc2)no1)[C@@H]1CNCCO1 831890569 MMUNQEZKOZNULL-VIFPVBQESA-N 290.283 -0.437 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(=O)n(C)c1 843641268 BHEQEGWLQGZAFT-PSASIEDQSA-N 279.296 -0.429 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(N)=O)o1 843977079 FORNHLYRMVTDRJ-RNFRBKRXSA-N 281.268 -0.436 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CC(N2CC[C@@H](O)C2)C1 843997464 GCUUSJKGEZNRMV-ZWLSGLHFSA-N 265.313 -0.292 50 20 CBGD Cc1nccnc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 855005933 KLRKLHSDQNVFHX-DTWKUNHWSA-N 264.285 -0.029 50 20 CBGD O=C(C[C@@H]1CC[C@@H]2C[C@@H]12)NNC(=O)[C@@H]1CCC(=O)N1 862461182 OEMPENDHFINKHG-RGOKHQFPSA-N 265.313 -0.151 50 20 CBGD CCCCCC(=O)NNC(=O)CS(C)(=O)=O 863458752 FUGKLZFPDFYWIP-UHFFFAOYSA-N 250.320 -0.241 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccc(Cl)o1 863459194 PAWMYIDUBUJDPE-UHFFFAOYSA-N 280.689 -0.261 50 20 CBGD CC1(C)C[C@@H](NC(=O)c2cc(B(O)O)ccc2F)C(=O)O1 863877788 JQOYIVPFLFLUSP-SNVBAGLBSA-N 295.075 -0.671 50 20 CBGD COCCOCC(=O)NN=C(C)CS(C)(=O)=O 872403181 RKTDOEKSZNFNPK-UHFFFAOYSA-N 266.319 -0.814 50 20 CBGD CCN1C[C@H](CNC(=O)NN(C)C(=O)OC)CC1=O 875696723 SIHDVRQARABEEG-QMMMGPOBSA-N 272.305 -0.233 50 20 CBGD O=C(CN1CCCCS1(=O)=O)NN=c1cc[nH]cc1 879420550 NEEGWDXEWPALDK-UHFFFAOYSA-N 284.341 -0.628 50 20 CBGD CN(CC(=O)NNC(=O)c1cccnn1)[C@@H]1CCSC1 882057220 QXOCGEVZBYAHRV-SECBINFHSA-N 295.368 -0.325 50 20 CBGD CN1CCCC[C@H](C(=O)NNC(=O)C2CCOCC2)C1=O 883072114 ZRDGDWOFRDEZPJ-LLVKDONJSA-N 297.355 -0.181 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@H]2C=CCC2)N1 883738244 UJEIRACEJGZJLV-DTWKUNHWSA-N 266.301 -0.438 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1116242835 GLLAFBXDGCILFJ-ZDUSSCGKSA-N 296.327 -0.553 50 20 CBGD C[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)c1cnn(C)c1 1116560588 RPOVEAKKGCCHLK-MRVPVSSYSA-N 276.300 -0.363 50 20 CBGD CC(=NNC(=O)CN1CCCC1=O)c1ccc(O)nn1 1116744043 JOHHVMXUANNVQQ-UHFFFAOYSA-N 277.284 -0.355 50 20 CBGD CCn1nccc1CNC(=O)NNC(=O)c1cnn(C)c1 1118567402 XLDNOCGCIJMIJH-UHFFFAOYSA-N 291.315 -0.219 50 20 CBGD CCn1ccc(C(=O)NNC(=O)C(=O)NC(C)C)n1 1261497684 HLVIGBYPSKGHNF-UHFFFAOYSA-N 267.289 -0.811 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1262629469 AWVOGQNBWPPTEZ-CSYMLDBXSA-N 298.339 -0.390 50 20 CBGD CCc1nocc1C(=O)NNC(=O)C(=O)NC(C)C 1328625604 MGFQYYSOMYYBRG-UHFFFAOYSA-N 268.273 -0.477 50 20 CBGD CCCn1nccc1C(=O)NNc1ccc(C(N)=O)nn1 1328989108 KZQGXKPJYRWCBF-UHFFFAOYSA-N 289.299 -0.061 50 20 CBGD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@H](B(O)O)C1 1329214297 FEYBWSSGBGCKEJ-ZCFIWIBFSA-N 253.023 -0.388 50 20 CBGD O=C(CCn1ccccc1=O)N1CC[C@@H](B(O)O)C1 1329292107 HOHVGRXRAYGCBP-SNVBAGLBSA-N 264.090 -0.686 50 20 CBGD Cc1ncsc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329523275 WXFLECDUPXDLAW-LURJTMIESA-N 268.298 -0.509 50 20 CBGD CCCNC(=O)NNC(=O)[C@H]1CCc2nncn2C1 1330290873 FZCRXEJAQDANCT-QMMMGPOBSA-N 266.305 -0.419 50 20 CBGD O=C(NNS(=O)(=O)C[C@H]1CCCOC1)c1cn[nH]c1 1331736134 HXOXGPKFJOPJHS-QMMMGPOBSA-N 288.329 -0.600 50 20 CBGD O=C(NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)C1CCOCC1 1336080089 IWITUCGZBUDFNG-GMTAPVOTSA-N 268.313 -0.015 50 20 CBGD C[C@@H]1CCOCCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1339908347 UNOSGZJKCUENIM-RKDXNWHRSA-N 284.316 -0.883 50 20 CBGD C[C@@]1(CNC(=O)C(=O)NCCN)C[C@H]1Br 1347977481 GZKLYRAZQYVDQU-MUWHJKNJSA-N 278.150 -0.649 50 20 CBGD C[C@]1(CNC(=O)[C@H](N)CO)C[C@@H]1Br 1354355807 BVSOJKUUQVFZBC-GKROBHDKSA-N 251.124 -0.404 50 20 CBGD C#CC[C@@]1(C(=O)NNC(=O)NCC2CC2)CCCN1 1574517368 NETSGGRLJKZDDS-ZDUSSCGKSA-N 264.329 -0.128 50 20 CBGD CCc1nc(C)ncc1C(=O)NNC(=O)[C@H]1CCN1 1578292007 XKTHUIXMVBJOLT-SNVBAGLBSA-N 263.301 -0.530 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)[C@H]2CCCN2)n1 1580468661 IKPWEPUHBFCMRT-RXMQYKEDSA-N 256.697 -0.093 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)[C@@H]1CCN1 1580736593 YTIWNMFQUZCKLH-KZVJFYERSA-N 251.286 -0.889 50 20 CBGD CC(C)C(=O)NNC(=O)CN[C@@]1(CC(=O)O)CCOC1 1590939452 VBXWZHSEUQQNQG-GFCCVEGCSA-N 287.316 -0.987 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@H]1C[C@@H](C(=O)O)C1 1601479645 SSOUHULYCSEIJV-OCAPTIKFSA-N 255.274 -0.162 50 20 CBGD C[C@H](CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)C(=O)O 1603183726 AHCHLTPEKTVMIE-BWZBUEFSSA-N 273.289 -0.538 50 20 CBGD CSCC1(CCNC(=O)NNC(=O)C(=O)O)CC1 1607393346 NJHNTHFGYISLLN-UHFFFAOYSA-N 275.330 -0.065 50 20 CBGD CC1(C)[C@H](NC(=O)NNC(=O)C(=O)O)[C@@H]2CCO[C@H]21 1609813397 CZSLUTCXJVYBFO-RRKCRQDMSA-N 271.273 -0.785 50 20 CBGD O=C(NC[C@@H]1Cc2ccccc21)NNC(=O)C(=O)O 1610691053 STCPCSNOTOJDDD-QMMMGPOBSA-N 263.253 -0.259 50 20 CBGD NC(=O)NCCCCC(=O)NNC(=O)c1ccccn1 21001256 VGPQZTVCSSVFTB-UHFFFAOYSA-N 279.300 -0.319 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(C)c(C(=O)O)c1 48962101 ZFZCXNCWONJUHL-UHFFFAOYSA-N 287.297 -0.184 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cncn2C)n1 278572768 IWLQOQHNFCJMKD-UHFFFAOYSA-N 276.300 -0.305 50 20 CBGD COc1nccnc1NNC(=O)CCn1ccnn1 279206599 NIUQKRCDFIBFPT-UHFFFAOYSA-N 263.261 -0.390 50 20 CBGD NC(=O)[C@@H]1CC[C@H](CNC(=O)NNc2ncccc2F)O1 287287198 YTHBAICLKSPAIN-APPZFPTMSA-N 297.290 -0.120 50 20 CBGD CCOC(=O)NNC(=O)c1ccnc(N)c1[N+](=O)[O-] 495526394 XHTOKMUTXPOMRY-UHFFFAOYSA-N 269.217 -0.037 50 20 CBGD CN1CC[C@@H](CNC(=O)c2cc(B(O)O)ccc2F)C1 584934264 QQOSDPWJZJHWTN-VIFPVBQESA-N 280.108 -0.813 50 20 CBGD CN(C)C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584972107 NFVZAJFRIUSTRN-NSHDSACASA-N 276.145 -0.610 50 20 CBGD C[C@H](CO)N(CC1CCC1)C(=O)c1cccc(B(O)O)c1 584974428 OSUAFDVEUUYMJR-LLVKDONJSA-N 291.156 -0.011 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N(C1CC1)C1COC1 584994777 NVNFRVRIQAIIGV-UHFFFAOYSA-N 261.086 -0.630 50 20 CBGD C[C@]1(O)C[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 585001283 VQYQKMHEQRJJBK-LYWQIFSTSA-N 267.065 -0.851 50 20 CBGD C[C@H](O)CN(C(=O)c1cccc(B(O)O)c1)C1CC1 585009530 ZWDYTMGMAZLWIJ-VIFPVBQESA-N 263.102 -0.648 50 20 CBGD CSCC[C@H](CO)NCc1ccc(B(O)O)cc1F 585030634 WKZAVFFMEUOYFP-LLVKDONJSA-N 287.165 -0.291 50 20 CBGD OC[C@H](CC1CCCC1)NCc1ccc(B(O)O)o1 585032426 UNSQDZXNTDVFBQ-NSHDSACASA-N 267.134 -0.010 50 20 CBGD OC[C@H](CNCc1ccc(B(O)O)o1)CC1CCC1 585038916 KKRIZCTYAGSDHW-NSHDSACASA-N 267.134 -0.152 50 20 CBGD CCCN1C[C@@H](CNCc2ccccc2B(O)O)CC1=O 585048198 KTIPABBFPHVFJV-GFCCVEGCSA-N 290.172 -0.286 50 20 CBGD CCn1cc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cn1 585057433 DQXABEZLGUODAZ-QMMMGPOBSA-N 273.123 -0.860 50 20 CBGD CCNC(=O)NNC(=O)c1c(C)nn(C)c1OC 732754782 JTHIBVVHQPSTJT-UHFFFAOYSA-N 255.278 -0.299 50 20 CBGD O=C(CC1(O)CCCCC1)NNC(=O)C(=O)NC1CC1 746103862 YAMCSOYPTXACGI-UHFFFAOYSA-N 283.328 -0.502 50 20 CBGD CCC[C@H](O)CC(=O)NNC(=O)C(=O)N1CCCC1 750276783 LUMZSJPYLWJMDX-VIFPVBQESA-N 271.317 -0.693 50 20 CBGD CCCN(C)S(=O)(=O)NN(C)C(=O)NCC 768493502 DUJNOZFRKSZETP-UHFFFAOYSA-N 252.340 -0.261 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1ccncn1 770763070 MGFBVSNVUZXMLX-MRVPVSSYSA-N 283.288 -0.319 50 20 CBGD CN(NC(=O)Cc1csc2nccn12)C(N)=O 778417500 AKEMDCKXCRMGHJ-UHFFFAOYSA-N 253.287 -0.020 50 20 CBGD CNS(=O)(=O)CCNC(=O)NNc1cccc(C#N)c1 784667825 MDODRMWEFLPEDR-UHFFFAOYSA-N 297.340 -0.266 50 20 CBGD CCCN1CCCN([C@@H](C)C(=O)NNC(=O)CC)CC1=O 788280727 YQLLCNHFMSTROW-NSHDSACASA-N 298.387 -0.123 50 20 CBGD Cn1ccc(CCC(=O)NNC(=O)N2CCOCC2)n1 794254778 LPFYRHNWQKLXGV-UHFFFAOYSA-N 281.316 -0.574 50 20 CBGD CC(C)[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CC1CC1 819104350 JOGPQIZHVWTWOV-SNVBAGLBSA-N 291.373 -0.492 50 20 CBGD CO[C@H](C)CNC(=O)NNC(=O)Cn1nc(C)cc1C 821722149 HJWXNIXLRZVBSO-SNVBAGLBSA-N 283.332 -0.135 50 20 CBGD CCCNC(=O)NNC(=O)C[C@@H](C(C)=O)C(=O)OCC 823951538 RTLPNTVSZNOIEL-VIFPVBQESA-N 287.316 -0.115 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 823976186 AOBZPMXEJKUVRA-LNLATYFQSA-N 287.385 -0.216 50 20 CBGD O=C(CCOc1ccccc1)NNC(=O)[C@H]1CC(=O)N1 824701693 DOGNXZBKTHSEIC-SNVBAGLBSA-N 277.280 -0.509 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)C[C@H]2CCC(=O)N2)c1 826090069 VFJBWRRLGCNPHH-LLVKDONJSA-N 286.291 -0.012 50 20 CBGD C#C[C@H](NCC(=O)NNC(=O)C(C)C)[C@H]1CCCO1 828953925 MQDODQNRNVYBJU-WDEREUQCSA-N 267.329 -0.440 50 20 CBGD O=C(O)NNS(=O)(=O)c1cccc2nonc12 833280063 AEWVALNDUPXPDG-UHFFFAOYSA-N 258.215 -0.316 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843647631 UFQCSEMPNIGMBA-SFYZADRCSA-N 273.289 -0.743 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cncn1C 843660280 WEYURQQNWRTZDL-SFYZADRCSA-N 252.274 -0.394 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCS1(=O)=O)C1CCCC1 846812860 CCKDEADFDFNFNA-VIFPVBQESA-N 274.342 -0.099 50 20 CBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)NCc1ccco1 847390287 FNHPREGCDWPEGZ-BDAKNGLRSA-N 280.284 -0.379 50 20 CBGD CC(C)(C)n1nnc(C=NNC(=O)c2ccnnc2)n1 853359429 NREYPYLTYLNAQS-UHFFFAOYSA-N 274.288 -0.018 50 20 CBGD C=C[C@H](O)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 854606215 ADWIPISDISTVOL-JTQLQIEISA-N 299.352 -0.073 50 20 CBGD O=C(Cc1ncc[nH]1)NNC(=O)[C@@H]1CCCCO1 854682408 AHUJRZXZJLNYJG-QMMMGPOBSA-N 252.274 -0.331 50 20 CBGD O=C1NCC[C@H]1C(=O)NNc1ncc(F)cc1F 854899159 JFECREHTCAKAFJ-ZCFIWIBFSA-N 256.212 -0.061 50 20 CBGD CCC(=O)N1CC[C@H](C(=O)NN(C)C(=S)NC)C1 854923463 WQJNHSKRGZEOIC-QMMMGPOBSA-N 272.374 -0.288 50 20 CBGD CCCN1CC[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)C1 858618811 GPNUAPNFPGABDC-SNVBAGLBSA-N 280.332 -0.162 50 20 CBGD CC(=O)NC[C@H]1CCCCN1CC(=O)NNC(=O)C1CC1 860176564 GVKRSUJBGIXJCU-GFCCVEGCSA-N 296.371 -0.466 50 20 CBGD C=CCC(C)(C)C(=O)NNC(=O)CS(C)(=O)=O 863465639 HDUJGTIWBRBFQO-UHFFFAOYSA-N 262.331 -0.219 50 20 CBGD C#C[C@H](NC(=O)c1cc(B(O)O)ccc1F)[C@H]1CCCO1 863879209 OKXIRFMHVDYKQM-QWHCGFSZSA-N 291.087 -0.584 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N(CCO)CC(F)F 863880890 HZZQKCXHMAUGPX-UHFFFAOYSA-N 273.044 -0.934 50 20 CBGD C#CC[C@@H](CCOC)NCc1ccc(B(O)O)cc1 863891663 ADBSNWWXOTYDDG-AWEZNQCLSA-N 261.130 -0.116 50 20 CBGD O=C1CN(CCCNS(=O)(=O)CCCCl)CCN1 882032824 TYPYOAUNJWZSOI-UHFFFAOYSA-N 297.808 -0.643 50 20 CBGD CC(=O)c1ccc(C(=O)NNC(=O)CO)cc1C 897607122 ZISUJOOZMZNKPU-UHFFFAOYSA-N 250.254 -0.049 50 20 CBGD C/C(Cl)=C/C(=O)NNC(=O)C(=O)N1CCCC1 900454163 KURBYJGDVWDUBR-SREVYHEPSA-N 259.693 -0.101 50 20 CBGD N#CSCCCNC(=O)[C@@H]1CSCC(=O)N1 935843398 SWWUWJLECXWSDD-ZETCQYMHSA-N 259.356 -0.061 50 20 CBGD COCc1cc(C(=O)NNC(=O)c2cnn(C)c2)no1 1116145393 GHDKCSCYQAYOPY-UHFFFAOYSA-N 279.256 -0.371 50 20 CBGD CNC(=O)c1ccc(NC(=O)NNC(=O)CCO)cc1 1116609186 GRTKBFBKLMVZNH-UHFFFAOYSA-N 280.284 -0.419 50 20 CBGD Cc1cnn(C)c1C=NNC(=O)[C@H](C)NS(C)(=O)=O 1117132967 SUCAMWMJBPEKCN-QMMMGPOBSA-N 287.345 -0.884 50 20 CBGD Cn1nncc1NNC(=O)COCc1ccncc1 1118827979 SOQSTYFHPNPZJX-UHFFFAOYSA-N 262.273 -0.130 50 20 CBGD COc1ccnc(NNC(=O)N[C@H](C)c2nnnn2C)n1 1123737732 HTRFIKKTBVLWGH-ZCFIWIBFSA-N 293.291 -0.604 50 20 CBGD O=C(NNc1ncncc1F)[C@@H]1CCCS(=O)(=O)C1 1261515513 JWLNNEYDJHBGOB-SSDOTTSWSA-N 288.304 -0.116 50 20 CBGD C[C@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)C[C@@H](C)N1C 1261792334 ULSUXLXYAGRIIA-DTORHVGOSA-N 280.332 -0.212 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1ncn(C)c1Cl 1318049989 JQBCNZAUQIUNJT-UHFFFAOYSA-N 281.725 -0.462 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)Cc1ccc(O)cc1 1319298385 BZMLHVZOYPVRGO-QMMMGPOBSA-N 295.295 -0.173 50 20 CBGD CCn1cc(NC(=O)C(=O)NNC(=O)C(C)C)ccc1=O 1320234378 DDNVUHOOVHMKMD-UHFFFAOYSA-N 294.311 -0.390 50 20 CBGD O=C(NCc1ccncc1)NNC(=O)C(=O)N1CCCC1 1320950571 BSBPNDDUQNOPNY-UHFFFAOYSA-N 291.311 -0.466 50 20 CBGD O=C(NNC(=O)c1cnc(Cl)cn1)C(=O)N1CCCC1 1321100244 HAYBZKZWYKMKMX-UHFFFAOYSA-N 297.702 -0.487 50 20 CBGD C[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)[C@H]1CCOC1 1322565931 VRCVASIJKNZITK-BDAKNGLRSA-N 281.316 -0.211 50 20 CBGD COCCc1nc(C)c(C(C)=NNC(=O)C(N)=O)s1 1323346095 RZESUTQJQDRZKS-UHFFFAOYSA-N 284.341 -0.034 50 20 CBGD O=C(NNC(=O)[C@H](F)C(F)(F)F)C(=O)NC1CC1 1327519155 WFUBENUYGSFNBW-BYPYZUCNSA-N 271.170 -0.687 50 20 CBGD CO[C@@]1(C(=O)NNC(=O)c2cn[nH]c2)CCSC1 1338076722 TXVGXXMXTWWIQX-JTQLQIEISA-N 270.314 -0.307 50 20 CBGD CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1csnn1 1343881456 HIBQZPZFFCWWQW-ZETCQYMHSA-N 288.354 -0.187 50 20 CBGD CC(C)n1cc(C=NNC(=O)CS(C)(=O)=O)nn1 1351652317 WRNOKMBQGHHLQL-UHFFFAOYSA-N 273.318 -0.646 50 20 CBGD C[C@@]1(C(=O)NNC(=O)Cc2ccccc2O)C[C@H](O)CN1 1576350437 OOYHVNNFMHFQGW-HZMBPMFUSA-N 293.323 -0.805 50 20 CBGD O=C(NNC(=O)[C@]1(C(=O)O)CCCO1)[C@@H]1CCCCO1 1594783288 YMNSCTIZLBWZHY-UFBFGSQYSA-N 286.284 -0.663 50 20 CBGD CNC(=S)N(C)NC(=O)CCc1ocnc1C(=O)O 1598661918 OVLDBDNVURNTPV-UHFFFAOYSA-N 286.313 -0.227 50 20 CBGD COC1(C=NNC(=O)NCC(=O)O)CCOCC1 1599087641 QQBAAKTWRRZDEE-UHFFFAOYSA-N 259.262 -0.448 50 20 CBGD NC(=O)C(=O)NN=Cc1cc(C(=O)O)ccc1Cl 1601137899 ZDIPLPTZNANASJ-UHFFFAOYSA-N 269.644 -0.026 50 20 CBGD C=C(CCC(=O)O)C(=O)NNC(=O)NCCCOC 1602784295 OZFIYAJLHKJAPN-UHFFFAOYSA-N 273.289 -0.226 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)O)cc1 1606774181 IBXRMQTZYFCEQW-UHFFFAOYSA-N 295.251 -0.883 50 20 CBGD Cc1ccc(C(=O)NNC(=O)Cn2cc(C(=O)O)cn2)o1 1607733257 FZRIHBWNWGAQNP-UHFFFAOYSA-N 292.251 -0.056 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H]1CCCO1 49376722 ULRKXUKUEFVAQF-MRVPVSSYSA-N 287.316 -0.163 50 20 CBGD COCCOCCC(=O)NNC(=O)c1ccc[nH]1 194204269 YFNIVASBPQOCBB-UHFFFAOYSA-N 255.274 -0.171 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NCC(=O)N1CCOCC1 271838328 BEPRWCPEHXIEIA-UHFFFAOYSA-N 286.332 -0.778 50 20 CBGD COC(=O)NCC(=O)NNc1cc(Cl)nc(N)n1 272536803 GKVMTYLTBASIJT-UHFFFAOYSA-N 274.668 -0.489 50 20 CBGD Cc1ncncc1C(=O)NNC(=O)N1CCN(C)CC1 287738217 HKLURQPRJWHQID-UHFFFAOYSA-N 278.316 -0.613 50 20 CBGD O=C(C[C@H]1CCCC(=O)N1)NNC(=O)c1cccnc1 289134945 OYCVXFVUQPWDTG-SNVBAGLBSA-N 276.296 -0.099 50 20 CBGD O=C(NNC(=O)c1ccc[nH]1)c1cc2n(n1)CCO2 377885009 QSCYPUNWVNVBGD-UHFFFAOYSA-N 261.241 -0.322 50 20 CBGD COC[C@]1(C(=O)Nc2cccc(B(O)O)c2)CCOC1 584912611 SOEWPTPKFJCKQD-CYBMUJFWSA-N 279.101 -0.642 50 20 CBGD C[C@@H](CNC(=O)c1ccc(B(O)O)cc1)N(C)C 584935354 HPUWDOLGZDUEHT-VIFPVBQESA-N 250.107 -0.954 50 20 CBGD N#CC1(NC(=O)c2cc(B(O)O)ccc2F)CCC1 584935443 KOCSOJCTXZCCBT-UHFFFAOYSA-N 262.049 -0.318 50 20 CBGD CN(C[C@H]1CCCOC1)C(=O)c1cccc(B(O)O)c1 584943461 IQDCHVMNIYNWBF-LLVKDONJSA-N 277.129 -0.135 50 20 CBGD CC1(C)CN(C(=O)c2cccc(B(O)O)c2)C[C@H]1O 584983386 NTDFRMQIIUBSJH-LLVKDONJSA-N 263.102 -0.791 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 584986605 HBJLZJQMHCNHJX-YRASXDPISA-N 287.124 -0.792 50 20 CBGD C[C@@H]1[C@H](N(C)C)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584991468 AZNBOGONAFGDFI-NOZJJQNGSA-N 294.135 -0.330 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@H](F)[C@H](F)C1 584998190 NVHQOXFAMBKUPK-AOOOYVTPSA-N 273.019 -0.363 50 20 CBGD O=C(N[C@H]1C[C@H](O)C12CCC2)c1ccc(B(O)O)c(F)c1 585005212 BIDYTQBGDLPJIQ-RYUDHWBXSA-N 293.103 -0.461 50 20 CBGD OB(O)c1ccccc1CNC[C@@H]1CCN(C2CC2)C1 585017658 HBTMTPWTUSYTJO-LBPRGKRZSA-N 274.173 -0.060 50 20 CBGD OB(O)c1ccc(CNCCOC[C@@H]2CCCO2)cc1 585027604 CBLHHHICHYKGOY-AWEZNQCLSA-N 279.145 -0.348 50 20 CBGD C[C@@H](CN(C)C)NCc1ccc(B(O)O)cc1F 585040666 PDBBRSIKJFDHFZ-VIFPVBQESA-N 254.114 -0.455 50 20 CBGD O=C1C[C@H](CNCc2ccc(B(O)O)o2)CN1C1CC1 585045224 FOZJHZGTDUEIOG-SECBINFHSA-N 278.117 -0.940 50 20 CBGD CC(C)(CC#N)CS(=O)(=O)N1CC[C@@H](B(O)O)C1 585056149 KMTISFGTYLBKOR-SECBINFHSA-N 274.151 -0.195 50 20 CBGD O=C(Nc1c(F)cccc1F)C(=O)N1CC[C@H](B(O)O)C1 585067470 SRWNVZAUUDMNLW-ZETCQYMHSA-N 298.054 -0.021 50 20 CBGD O=C(NCB(O)O)c1ccc(Cl)c([N+](=O)[O-])c1 585072565 OCDYKWHEOHAHQZ-UHFFFAOYSA-N 258.426 -0.010 50 20 CBGD CCN1CCCC[C@@H]1C(=O)NNC(=O)C(=O)N1CCCC1 729351910 XYYSTQKXQMTHQS-LLVKDONJSA-N 296.371 -0.369 50 20 CBGD C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)CN(C)C 733359790 RESBBDHEPRPIRG-MNOVXSKESA-N 287.360 -0.330 50 20 CBGD C[C@]1(CNC(=O)NNC(=O)C(=O)N2CCCC2)CCOC1 733651422 OCMFEMQKOGJURZ-CYBMUJFWSA-N 298.343 -0.634 50 20 CBGD CCOCCCC(=O)NNC(=O)N1CCOCC1 745986210 NPVUSYBUUOPHNZ-UHFFFAOYSA-N 259.306 -0.124 50 20 CBGD Cc1nnc2n1C[C@H](C(=O)NNC(=O)NCC1CC1)CC2 750728826 YZSKOTXXJGJVHU-SNVBAGLBSA-N 292.343 -0.111 50 20 CBGD C#CCOCCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 753381303 KOILNEGAEGWRQL-NSHDSACASA-N 289.357 -0.983 50 20 CBGD O=C(CN1CCCC1=O)NNc1ncc(F)cn1 760908798 UXFQQFDTKXGELG-UHFFFAOYSA-N 253.237 -0.319 50 20 CBGD CO[C@@H](C)C(C)=NNC(=O)N[C@H]1CCS(=O)(=O)C1 763164717 YOLLOKSEYLDNDF-IUCAKERBSA-N 277.346 -0.117 50 20 CBGD CC(=O)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)NNC(C)=O 763387767 KIPDMMHUUUIRER-NXEZZACHSA-N 284.316 -0.873 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc(OC(C)C)nc1 763516189 ZUJNHMDNZPNGGR-UHFFFAOYSA-N 280.284 -0.025 50 20 CBGD COc1nccnc1NNC(=O)c1coc(C(N)=O)c1 764465971 PDVVHVXJTABFRZ-UHFFFAOYSA-N 277.240 -0.066 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cnc(Cl)c(OC)c1 767449025 DGSHWWMBCOQGKV-UHFFFAOYSA-N 294.720 -0.134 50 20 CBGD COc1cc(C(=O)NNC(=O)Cc2cccnc2)nn1C 772843993 GYFUVBVVCOKNNR-UHFFFAOYSA-N 289.295 -0.173 50 20 CBGD CCOc1cnc(C(=O)NNC(=O)CN(C)C)cn1 779379324 JUGCCUNUEZAWHX-UHFFFAOYSA-N 267.289 -0.802 50 20 CBGD CC(C)C(=O)NNC(=O)Nc1ncn(CC(=O)N(C)C)n1 782579227 GXPPYIDKYUSLAF-UHFFFAOYSA-N 297.319 -0.825 50 20 CBGD CO[C@](C)(C(=O)NNC(=O)Cc1cc[nH]n1)C1CC1 812502554 YHZULCGJIPCRML-LBPRGKRZSA-N 266.301 -0.085 50 20 CBGD Cn1cc(C(=O)NN=Cc2ccc(-c3nn[nH]n3)o2)cn1 822669440 KDZSBHILKPLTJJ-UHFFFAOYSA-N 286.255 -0.043 50 20 CBGD CC(C)CN1C[C@H](C(=O)NN(C)[C@H](C)CO)CC1=O 823977263 SDGKBKRJSDOIOF-GHMZBOCLSA-N 271.361 -0.165 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CN1CCOC1=O 824016866 UKGQWXZHIZBCDF-YUMQZZPRSA-N 271.273 -0.989 50 20 CBGD CC1=NO[C@H](C(=O)NNC(=O)Cc2ccncc2)C1 829561548 PGEXHVDHDAMVOU-JTQLQIEISA-N 262.269 -0.064 50 20 CBGD CCO[C@H]1C[C@H]1C(=O)NNC(=O)c1ncccn1 841354318 MOJZHAWCNHVSMH-SFYZADRCSA-N 250.258 -0.337 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H]2NCC[C@@H]2C1 843386980 MWWNVJIRIMCZPK-AXFHLTTASA-N 268.361 -0.384 50 20 CBGD COC(=O)NCCCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843652074 QUAMZJNMTRHYPU-DTWKUNHWSA-N 287.316 -0.305 50 20 CBGD CNC(=O)CCSCC(=O)NNC(=O)C(C)C 845331466 DELPCIPNBSYOMV-UHFFFAOYSA-N 261.347 -0.341 50 20 CBGD C[C@@H]1C[C@@H](N)CCN1CC(=O)NNC(=O)C1CC1 846707290 FDCZZDRDKUNFMH-SCZZXKLOSA-N 254.334 -0.645 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=S)NCC1CC1 849252838 KMHLTYMZQOPLDK-UHFFFAOYSA-N 258.347 -0.584 50 20 CBGD CC[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CC1 858616875 QPHXTJZEBORQFQ-DTWKUNHWSA-N 268.317 -0.216 50 20 CBGD Cc1ccnn1CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 862095816 PPONYEYWPYEHTM-ZJUUUORDSA-N 266.301 -0.236 50 20 CBGD Cc1cccc(NNC(=O)CN2CCS(=O)(=O)CC2)n1 862523471 FKRXLCMWOJMYQE-UHFFFAOYSA-N 298.368 -0.436 50 20 CBGD O=C1C[C@@H](C(=O)NNCC(F)(F)C(F)(F)F)N1 863101831 JGGJMLNHZSSKIU-VKHMYHEASA-N 261.150 -0.307 50 20 CBGD COC(=O)[C@](C)(CO)NS(=O)(=O)CBr 867381670 PFGFSJCWDLPXLS-LURJTMIESA-N 290.135 -0.818 50 20 CBGD CCCn1nccc1C(=O)NNC(=O)COCCOC 869901750 YDHFAJOJOSGHDP-UHFFFAOYSA-N 284.316 -0.283 50 20 CBGD CCOCc1cn(CC(=O)NNC(=O)C2CC2)nn1 881294599 YXPUEGRRZNCXKY-UHFFFAOYSA-N 267.289 -0.628 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cccc2c1NC(=O)CO2 910141798 ZOBJGLALCXTMQK-QMMMGPOBSA-N 279.296 -0.025 50 20 CBGD CCNC(=O)NC1(C(=O)NN(C)C[C@H](C)O)CCCC1 910168220 MGMZQBJUNUDTOD-JTQLQIEISA-N 286.376 -0.038 50 20 CBGD COC1(OC)CC(NC(=O)c2cccc(B(O)O)c2)C1 911049914 OZEOBWYKGHYHFH-UHFFFAOYSA-N 279.101 -0.752 50 20 CBGD C[C@H]1COC[C@@H]1NC(=O)NNC(=O)c1ccc[nH]1 925992543 AMXXDRYXERWVFD-CBAPKCEASA-N 252.274 -0.006 50 20 CBGD CC(C)(C)NCCC(=O)NNC(=O)Cc1cc[nH]n1 932157744 PVDYRJCULAZTSY-UHFFFAOYSA-N 267.333 -0.122 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)Cc2cc[nH]n2)on1 1116581619 OCMQJBMOEKFXBY-UHFFFAOYSA-N 293.239 -0.812 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H](C)c1ncn(C)n1 1116687155 STUFIGSVYDGXIE-SSDOTTSWSA-N 270.293 -0.757 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCSSC 1117403655 QFGSMLYSFFBRFF-UHFFFAOYSA-N 267.332 -0.499 50 20 CBGD CC1(C)CN(C(=O)NNC(=O)c2cn[nH]c2)CCO1 1118863928 GZKXSVFLIACFLD-UHFFFAOYSA-N 267.289 -0.125 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cncnc2C2CC2)N1 1118885375 ZABJIOOMGCJEAX-SECBINFHSA-N 289.295 -0.606 50 20 CBGD Cc1nc(C)c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)[nH]1 1118910814 LSCWMLVFCCWVSO-SSDOTTSWSA-N 265.273 -0.934 50 20 CBGD CN(C)N(C(=O)[C@@H]1C[C@@H]1F)[C@@H]1CCS(=O)(=O)C1 1123832399 YSRHMCBNNAUYIZ-HLTSFMKQSA-N 264.322 -0.163 50 20 CBGD CN1CCC[C@@H](CNC(=O)NNC(=O)c2cnn(C)c2)C1 1252749496 ZVRNQTSVQOLQQT-JTQLQIEISA-N 294.359 -0.294 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@@H]1CCS(=O)(=O)C1 1253374197 GYCSXOHHCNZXMZ-BNICOGTQSA-N 258.299 -0.266 50 20 CBGD CC(=O)NC(C)(C)C(=O)NNC(=S)NC(C)C 1318345208 CIDPCZZKZYDCOV-UHFFFAOYSA-N 260.363 -0.195 50 20 CBGD CCCN1CC[C@@H](CNC(=O)NNC(=O)C(=O)OC)C1 1319002956 DHEBLAVQHDEJKP-VIFPVBQESA-N 286.332 -0.778 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCO[C@H](C(C)C)C1 1320574887 ZRYWXYNYDNTZKH-BDAKNGLRSA-N 287.316 -0.307 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1cccc[n+]1[O-] 1321306830 KQYUAXFYWFCYJT-UHFFFAOYSA-N 273.252 -0.397 50 20 CBGD CN1CCN(CC(=O)NNc2ncccn2)CC1 1321683802 UTRPNEQWJAOVNY-UHFFFAOYSA-N 250.306 -0.833 50 20 CBGD Cc1csc([C@H](C)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 1329171623 FXPKVAPUWOQOGQ-SFYZADRCSA-N 296.352 -0.019 50 20 CBGD Cc1nc(C(=O)N2CC[C@@H](B(O)O)C2)ccc1C#N 1329672999 UNYNFIHUXUMECD-SNVBAGLBSA-N 259.074 -0.049 50 20 CBGD CN1CCC(C=NNC(=O)[C@@H]2CCC(=O)N2)CC1 1329730893 JAWFSGWKHRUUAU-JTQLQIEISA-N 252.318 -0.291 50 20 CBGD Cc1[nH]c(C=O)cc1C(=O)N1CC[C@H](B(O)O)C1 1332529452 WUIHLIIWJCDGPS-QMMMGPOBSA-N 250.063 -0.175 50 20 CBGD CNC(=S)N(C)NC(=O)CCc1nccn1C 1348726355 FNBHABGJBAKURD-UHFFFAOYSA-N 255.347 -0.180 50 20 CBGD CC[C@@H](C#N)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1349522145 OICPXNVQZUEFHY-YUMQZZPRSA-N 288.329 -0.946 50 20 CBGD CCc1cc(C(=O)NNc2nccn(C)c2=O)n(C)n1 1349674714 UTISPWPPMFUIHY-UHFFFAOYSA-N 276.300 -0.167 50 20 CBGD N#Cc1ccc(NNC(=O)NC[C@H]2CNCCCO2)nc1 1580070443 XGSSRGJAXBFYPZ-LLVKDONJSA-N 290.327 -0.042 50 20 CBGD NCCCCCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 1580293003 IXHVAOGZIQRVKD-SECBINFHSA-N 270.333 -0.678 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNC(=S)NC(C)(C)C 1593912187 ZKSBEPAOCPGRHC-RXMQYKEDSA-N 263.319 -0.620 50 20 CBGD O=C(O)Cn1cc(C(=O)NNc2ccc(F)cn2)nn1 1595143733 SMWMLOZAIJCPOK-UHFFFAOYSA-N 280.219 -0.346 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)CCn2cncn2)n1 78493012 XDGBEUHLZFNJCP-UHFFFAOYSA-N 291.315 -0.671 50 20 CBGD CN1CCC[C@@H]2CN(CC(=O)NNC(=O)C3CC3)CC[C@@H]21 139936711 ZZEQHKAYUOBBCR-OLZOCXBDSA-N 294.399 -0.040 50 20 CBGD COCCN(C)CCNC(=O)NNC(=O)c1ccc[nH]1 171213306 GOMYBJOAYUIFTH-UHFFFAOYSA-N 283.332 -0.463 50 20 CBGD C[C@@]1(O)CCN(CC(=O)NNC(=O)c2ccccc2)C1 178025348 IMCKEIXRDSWYKM-CQSZACIVSA-N 277.324 -0.096 50 20 CBGD COCCn1ccc(C(=O)NNC(=O)c2cc(C)n[nH]2)n1 190354844 QJFOFLMOFSHHGA-UHFFFAOYSA-N 292.299 -0.364 50 20 CBGD COCC(=O)N(C)CC(=O)NNC(=O)C(C)(C)C 270239535 KUCKVPYPUAVUAA-UHFFFAOYSA-N 259.306 -0.715 50 20 CBGD COc1ccccc1C(=O)NNC(=O)C1(NC(N)=O)CC1 271197947 DXGTYOUWGORKEV-UHFFFAOYSA-N 292.295 -0.343 50 20 CBGD CCS(=O)(=O)CC(=O)NNc1cccc(OC)n1 272532014 NHUOJVFTWPHFET-UHFFFAOYSA-N 273.314 -0.032 50 20 CBGD COCCC(C)(C)C(=O)NNC(=O)C(=O)NC(C)C 273613645 YVQKGFMFZJUUPM-UHFFFAOYSA-N 273.333 -0.279 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)no1 293999088 UXFDXKPFWUMGEV-XPUUQOCRSA-N 297.267 -0.210 50 20 CBGD C#CCO[C@H](C)C(=O)NNC(=O)[C@H]1CCCCO1 295646793 UMQXXKAGFVRHCF-NXEZZACHSA-N 254.286 -0.259 50 20 CBGD CCOC(=O)NCCC(=O)NNC(=O)[C@@H]1CCCCO1 295682706 YFLLMIGLZAXMFF-VIFPVBQESA-N 287.316 -0.161 50 20 CBGD CNC(=O)NNC(=O)/C=C/CN(C)CC(F)(F)F 492952845 MLFXXXDZTYXKGP-ONEGZZNKSA-N 268.239 -0.003 50 20 CBGD COCCN(CCOC)C(=O)c1ccc(B(O)O)c(F)c1 584923093 CWVBTYXIKFLYPX-UHFFFAOYSA-N 299.107 -0.760 50 20 CBGD COC[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584951481 QUQAWJPDYRKZLD-VIFPVBQESA-N 281.092 -0.386 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 584956214 YQYPAOCHAHHDMO-IGQOVBAYSA-N 287.124 -0.384 50 20 CBGD O=C(N[C@H](CO)CC(F)F)c1cc(B(O)O)ccc1F 584984020 WBHDPCOMQOYNJH-ZETCQYMHSA-N 291.034 -0.749 50 20 CBGD COCC1(C)CN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584984248 WGYAWJPJZOFKST-UHFFFAOYSA-N 281.092 -0.386 50 20 CBGD O=C(N[C@H](CO)C1CCCC1)c1ccc(B(O)O)cc1 584991408 YGOIHMMKDPLMOS-CYBMUJFWSA-N 277.129 -0.353 50 20 CBGD C[C@@H](F)CCNC(=O)c1ccc(B(O)O)c(F)c1 584992800 ORRZFIMMAYLOJF-SSDOTTSWSA-N 257.045 -0.017 50 20 CBGD C[C@H](CC(C)(C)O)NC(=O)c1ccc(B(O)O)cc1 584995637 PAEBLOCJWWWEDE-SECBINFHSA-N 265.118 -0.354 50 20 CBGD Cc1ccccc1C[C@H](CO)NCc1ccc(B(O)O)o1 585037184 UCMDIZFVKMKUNL-CYBMUJFWSA-N 289.140 -0.039 50 20 CBGD CC(=O)N1CCC[C@@H](CNCc2ccc(B(O)O)o2)C1 585038541 BKFXDYVQWPCAAT-NSHDSACASA-N 280.133 -0.693 50 20 CBGD OB(O)c1ccc(CNC[C@H]2CCN2C2CC2)o1 585049869 LOGFBBIPLYVYHG-SNVBAGLBSA-N 250.107 -0.714 50 20 CBGD COc1c(C(=O)NNC(=O)c2c[nH]nc2C)c(C)nn1C 732766373 IIDKWWCJQZRJJZ-UHFFFAOYSA-N 292.299 -0.157 50 20 CBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)C(C)C 740739028 XNOGUKFKQRKLPU-UHFFFAOYSA-N 279.362 -0.539 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@]2(C)CCOC2)cn1 754295230 ZBPODUFWPDNVOI-LLVKDONJSA-N 252.274 -0.392 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cc(F)ccc1OC 764300302 XMOLNJGBUAIHHD-UHFFFAOYSA-N 299.258 -0.433 50 20 CBGD Cc1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)CO 764420419 ALSRAQOGPFPMEA-UHFFFAOYSA-N 285.687 -0.273 50 20 CBGD CN(NC(=O)CNC(=O)NC1CCCCC1)C(N)=O 770438157 KUZRYOPADVFKQN-UHFFFAOYSA-N 271.321 -0.340 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CCCCS1(=O)=O 772401248 ACMJHXXPCMGHOG-ZETCQYMHSA-N 263.319 -0.696 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H]1CCN(C)C1=O 772409729 RFUOIZOYQQLBDL-QMMMGPOBSA-N 256.306 -0.405 50 20 CBGD CN(NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C(N)=O 778417334 SDCHKMNRNPGPGC-IUCAKERBSA-N 296.327 -0.407 50 20 CBGD Cn1ncc(C(=O)NNC(=O)Cn2cnc3ccccc32)n1 785686552 IZDXSTDGMOQDLA-UHFFFAOYSA-N 299.294 -0.374 50 20 CBGD Cn1ncc(C(=O)NNC(=O)c2ccc(C#N)cc2)n1 786017097 OXKUWTBQRBFGKD-UHFFFAOYSA-N 270.252 -0.238 50 20 CBGD COc1cc(C)nc(NNC(=O)NCc2nnn(C)n2)n1 787437090 NFESGDLJQPHBRH-UHFFFAOYSA-N 293.291 -0.857 50 20 CBGD Cn1cnc(C=NNC(=O)CNC(=O)c2ccco2)c1 794501413 GPPVZJJZRABFEM-UHFFFAOYSA-N 275.268 -0.107 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NN=C1C(=O)OC[C@H]1C 794879480 MQUARQXDNRUUFA-VHSXEESVSA-N 283.328 -0.380 50 20 CBGD O=C(CN1CCOC[C@@H]1[C@H]1CCCO1)NNC(=O)C1CC1 796346673 RNNRBBUBLGTLDG-VXGBXAGGSA-N 297.355 -0.576 50 20 CBGD CNC(=O)NNC(=O)c1nn(C)cc1Br 814620164 GKYPVVCIDOMYJF-UHFFFAOYSA-N 276.094 -0.244 50 20 CBGD O=C(NNc1ncncc1F)[C@H]1CN2CCCN1CC2 817078468 GDHYSSQIQAZEIQ-SNVBAGLBSA-N 280.307 -0.551 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@](C)(C#N)CC(=O)O)cn1 821287273 GXJKZQHPUOGTFB-LLVKDONJSA-N 279.256 -0.814 50 20 CBGD CCN(CCO)NC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 823885184 ZMQLLICBGMMSLI-OAHLLOKOSA-N 291.351 -0.210 50 20 CBGD C[C@@H](CO)N(C)NC(=O)Cn1nnnc1-c1ccsc1 823913647 YXTLMKGXBSBVMR-QMMMGPOBSA-N 296.356 -0.255 50 20 CBGD CSCCNC(=S)NNC(=O)C(C)(C)CO 847643859 IRQHWQDLDSGDPF-UHFFFAOYSA-N 265.404 -0.137 50 20 CBGD O=C(NNC(=O)[C@H]1CCNC1=O)Nc1ccccc1 854377717 XGJZNTYTOSRZON-VIFPVBQESA-N 262.269 -0.025 50 20 CBGD COc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)sn1 857093812 QDGJOQFFQUXBIW-UHFFFAOYSA-N 298.324 -0.465 50 20 CBGD CCC1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 858272272 SMURWVOEPLIHAS-MRVPVSSYSA-N 268.317 -0.214 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)CN1C1CC1 858288962 STAYNDWPPBYKRI-PSASIEDQSA-N 292.343 -0.021 50 20 CBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNc2ncc(Cl)cn2)O1 862258778 RDLJICYFUVLNSG-NKWVEPMBSA-N 285.691 -0.394 50 20 CBGD N#Cc1cccc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862455390 FVXRIJBRJHSBIR-LLVKDONJSA-N 286.291 -0.473 50 20 CBGD O=C(CCc1ccoc1)NNC(=O)[C@@H]1CCC(=O)N1 862455705 IYNWCNBUTJCANO-VIFPVBQESA-N 265.269 -0.362 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CCCCS2)N1 862459935 BQVGKBRFKGXJFI-JGVFFNPUSA-N 271.342 -0.302 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CSC(F)(F)F 863460434 WTLUAILIRVCODY-UHFFFAOYSA-N 294.276 -0.569 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C(F)=C1CCCC1 863462106 HAHGIKBBYNCBRI-UHFFFAOYSA-N 278.305 -0.024 50 20 CBGD COC(=O)[C@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 863871237 FKDQQXUYDXWPDX-GFCCVEGCSA-N 291.112 -0.466 50 20 CBGD O=C(/C=C/CN1CCOCC1)NNC(=O)c1ccccn1 864390617 VXNPBXPPVWKWBW-HWKANZROSA-N 290.323 -0.269 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 869901752 YFGSWRIWLSUVAK-GMOBBJLQSA-N 288.344 -0.144 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CCCN1C1CC1 869905376 BSPJFLNTSQVJQN-LLVKDONJSA-N 285.344 -0.576 50 20 CBGD C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccnn1 882059476 MZIJBVLNBOUVAL-SCZZXKLOSA-N 262.269 -0.171 50 20 CBGD C=CC(=O)N(CC)CC(=O)NNC(=O)N1CCOCC1 900427435 ZTUOTHHERABKRU-UHFFFAOYSA-N 284.316 -0.906 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21 906889822 VLCHXCNTLIXGAY-OASPWFOLSA-N 273.292 -0.003 50 20 CBGD CC[C@H](C)[C@H](NC(C)=O)C(=O)NN(C)C[C@H](C)O 910154418 CZKLQZKFHVXDJU-QXEWZRGKSA-N 259.350 -0.119 50 20 CBGD Cc1cc(=NNC(=O)C2CN(S(C)(=O)=O)C2)cc[nH]1 912981614 MKOPWEWEPFYUBT-UHFFFAOYSA-N 284.341 -0.854 50 20 CBGD CCCN1C(=O)C(=NNC(=O)C(N)=O)c2ccccc21 916272162 AFCCFZYWPFHZIK-UHFFFAOYSA-N 274.280 -0.251 50 20 CBGD Cn1nc(C(=O)NNC(N)=O)c2ccccc2c1=O 1115863403 BGPIHDZNRYZTEM-UHFFFAOYSA-N 261.241 -0.753 50 20 CBGD CC(=O)CCCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1251260736 HGSWFSMGLYVNLA-SECBINFHSA-N 290.341 -0.672 50 20 CBGD CC(C)C(=O)NNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 1319283734 IPMVOVCSXYJWFY-YUMQZZPRSA-N 272.305 -0.994 50 20 CBGD COCC1(C(=O)NNc2nc(O)c3cnn(C)c3n2)CC1 1320014968 FBMCVDGKCISSAW-UHFFFAOYSA-N 292.299 -0.061 50 20 CBGD Cn1cc(C(=O)NNC(=O)NO[C@@H]2CCCCO2)cn1 1321202695 OUFNTWFOSQNVBH-SECBINFHSA-N 283.288 -0.178 50 20 CBGD CO[C@@H](C)CCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1323668553 ZHLMKTNKGCYRGZ-IUCAKERBSA-N 292.357 -0.616 50 20 CBGD CN(C)C(=O)CNC(=O)C(=O)NNc1cccc(C#N)c1 1329388678 TWNPXKYTXNQWCF-UHFFFAOYSA-N 289.295 -0.794 50 20 CBGD C[C@@H](NNC(=O)c1nccnc1C(N)=O)C(F)(F)F 1335314874 VEAPVNRKXLXJNT-SCSAIBSYSA-N 277.206 -0.239 50 20 CBGD CNC(=S)N(C)NC(=O)CCCS(C)(=O)=O 1351033837 XCAXBCZGKXCAGW-UHFFFAOYSA-N 267.376 -0.722 50 20 CBGD CN(N)C(=O)CCC(=O)N1CCN(c2ccccn2)CC1 1573877308 MNZPAUNIKARKLY-UHFFFAOYSA-N 291.355 -0.158 50 20 CBGD COCCCNC(=S)N(C)NC(=O)CNCCOC 1579017067 UDOAYGWMLAJAGI-UHFFFAOYSA-N 292.405 -0.904 50 20 CBGD COCCN(CC(C)C)NC(=O)CC1(N)COC1 1579025594 DQERMOXVSSICGD-UHFFFAOYSA-N 259.350 -0.260 50 20 CBGD O=C(O)CC1CC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)C1 1601939913 GEAGNJIATQTBHZ-MQWKRIRWSA-N 288.325 -0.222 50 20 CBGD COC(=O)c1cc(C=NNC(=O)C(=O)O)cn1C 1606540138 OMULOWGBIIYHPY-UHFFFAOYSA-N 253.214 -0.654 50 20 CBGD Cn1c(C(=O)O)ccc1C(=O)NNC(=O)[C@H]1CCCO1 1610596584 UJVNNABNQRRKQV-SECBINFHSA-N 281.268 -0.337 50 20 CBGD O=C(Cc1ccc(F)cc1)NNC(=O)C(=O)NC1CC1 48390983 DGRQUEGAQSIZAB-UHFFFAOYSA-N 279.271 -0.206 50 20 CBGD CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1ccccn1 48442392 YAVAAUXQMDCSHT-LLVKDONJSA-N 276.296 -0.147 50 20 CBGD CNC(=O)NNC(=O)CCCNC(=O)C(C)(C)C 48949893 HKLBXISFHJKFPR-UHFFFAOYSA-N 258.322 -0.111 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc2c([nH]c1=O)CCCC2 113424780 HARLYGBUDLLNAD-UHFFFAOYSA-N 292.339 -0.424 50 20 CBGD O=C(CCc1ccoc1)NNC(=O)C(=O)N1CCCC1 177631054 FWIVMWRXBXXCLQ-UHFFFAOYSA-N 279.296 -0.018 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@H]2COCCN2)n1 269194290 PRVZGLMCMFWXSZ-SECBINFHSA-N 251.290 -0.475 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)C1(NC(N)=O)CC1 270930975 KRMPISOYJUNDFZ-UHFFFAOYSA-N 258.278 -0.257 50 20 CBGD CSCCNC(=S)NNC(=O)[C@H]1CC(=O)N(C)C1 271503540 ZCRJGBODNJXMKJ-ZETCQYMHSA-N 290.414 -0.677 50 20 CBGD COc1cccc(C(=O)NCC(=O)NN(C)C(N)=O)c1 273033302 FXVWSRWXISAZJN-UHFFFAOYSA-N 280.284 -0.533 50 20 CBGD COc1cc(C(=O)NNC(=O)c2cc(C)n[nH]2)nn1C 274813939 PGILJEXZJXCDJN-UHFFFAOYSA-N 278.272 -0.465 50 20 CBGD O=C(CNC(=O)c1cccs1)NNC(=O)C1(O)CCC1 274865150 KTMPAWGXDDURJU-UHFFFAOYSA-N 297.336 -0.460 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@H]2CN(C)CCO2)n1 279785047 JLSMXCQJRWXXPN-LLVKDONJSA-N 278.312 -0.518 50 20 CBGD CNS(=O)(=O)CCNC(=O)NNC(=O)OC(C)(C)C 492571500 DGYQCHDUZWXFJT-UHFFFAOYSA-N 296.349 -0.726 50 20 CBGD COC(=O)NCCC(=O)NNC(=O)Cc1ccncc1 493159299 UDDPDPQLDKNDSM-UHFFFAOYSA-N 280.284 -0.482 50 20 CBGD COC(=O)N(C)NC(=O)COCc1ccnn1C 495626906 RTQAWOVIIYVGMM-UHFFFAOYSA-N 256.262 -0.334 50 20 CBGD COC(=O)N(C)NC(=O)[C@H](C)N1C(=O)CCC1=O 495821770 ALZCNNIEDCQRCS-LURJTMIESA-N 257.246 -0.747 50 20 CBGD CC(C)[C@@](C)(O)C(=O)Nc1cccc(B(O)O)c1 584914186 RLTHULJYMNVZKW-GFCCVEGCSA-N 251.091 -0.288 50 20 CBGD CCC(CC)(NC(=O)c1cccc(B(O)O)c1)C(N)=O 584937538 PWGDXHFZDKWNOO-UHFFFAOYSA-N 278.117 -0.860 50 20 CBGD COC[C@](C)(C#N)NC(=O)c1ccc(B(O)O)c(F)c1 584961801 BADQSSDKINWRCX-LBPRGKRZSA-N 280.064 -0.836 50 20 CBGD CC[C@H](CNC(=O)c1ccc(B(O)O)c(F)c1)OC 584991463 ZEJLGOBNRJGQNY-SECBINFHSA-N 269.081 -0.340 50 20 CBGD C[C@@H]1[C@@H](N(C)C)CCN1C(=O)c1cc(B(O)O)ccc1F 584992891 PWGLDOLPMRTCNQ-RNCFNFMXSA-N 294.135 -0.330 50 20 CBGD CC1(C)CCCN1CCNC(=O)c1cccc(B(O)O)c1 584998431 FEZXOQZKQNVMRN-UHFFFAOYSA-N 290.172 -0.029 50 20 CBGD CCCN1C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC1=O 585003166 NJPZQPQLHMQMQL-LBPRGKRZSA-N 290.128 -0.893 50 20 CBGD CC(=O)N1CCC(CNCc2ccc(B(O)O)o2)CC1 585021460 LATXUEYXNDPBMV-UHFFFAOYSA-N 280.133 -0.693 50 20 CBGD CC(C)N1CC[C@@H](CNCc2ccc(B(O)O)o2)C1 585040476 KXEYDCITEONHSW-NSHDSACASA-N 266.150 -0.221 50 20 CBGD C[C@@H]1C[C@H](CNCc2ccc(B(O)O)o2)[C@@H](C)O1 585046320 PSPNUUIGWBJAHB-OPRDCNLKSA-N 253.107 -0.138 50 20 CBGD C[C@H](NC(=O)c1cccs1)C(=O)N1CC[C@H](B(O)O)C1 585068544 DHXJAKCPUIGOLE-IUCAKERBSA-N 296.157 -0.058 50 20 CBGD CC(C)C(=O)NNC(=O)CCCN1C(=O)CN(C)C1=O 726711777 UINYORQHSGQEIC-UHFFFAOYSA-N 284.316 -0.536 50 20 CBGD C[C@@H]1CN(CCNC(=O)NNC(=O)C2CCC2)CCO1 732458674 QJLDLMBRKPYFFL-SNVBAGLBSA-N 284.360 -0.162 50 20 CBGD CC(C)NC(=O)C(=O)NN=Cc1ccc2c(c1)nnn2C 737428357 YGQGLSVMZMCZQE-UHFFFAOYSA-N 288.311 -0.057 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)CC(F)(F)F)C1 754421929 ANAMKXIWVHNRDQ-ZCFIWIBFSA-N 269.223 -0.583 50 20 CBGD CC(C)[C@H](C(=O)NNC(=O)C(C)(C)O)N1CCCC1=O 787951213 PYSKJNDYHKZJJK-SNVBAGLBSA-N 285.344 -0.448 50 20 CBGD O=C(CO)NNC(=O)Cn1ccc2ccccc2c1=O 790919528 OUMZNDWKJUSAPV-UHFFFAOYSA-N 275.264 -0.859 50 20 CBGD Cc1cccc(C(=O)NNC(=O)c2cnn(C)c2N)n1 794089066 AOBHYVUWSAHXMS-UHFFFAOYSA-N 274.284 -0.219 50 20 CBGD O=C(CN1CCCNC1=O)NNC(=O)N=c1cc[nH]cc1 802027671 RDJXRPCFOQSRBB-UHFFFAOYSA-N 292.299 -0.929 50 20 CBGD CC1(C(=O)NNC(=O)N=c2cc[nH]cc2)COC1 802030910 XMWDACDTDRNLBJ-UHFFFAOYSA-N 250.258 -0.307 50 20 CBGD N#CCNC(=O)CNC(=O)NNc1ccc(Cl)nn1 807553797 YJKVJTZJGWFDNM-UHFFFAOYSA-N 283.679 -0.604 50 20 CBGD Cc1oc(S(N)(=O)=O)cc1C(=O)NN(C)C1CC1 819652112 BEQGSLVDBVULRK-UHFFFAOYSA-N 273.314 -0.026 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cccnc1N1CCOCC1 821218267 WWTQOTANOHYBDF-LLVKDONJSA-N 294.355 -0.124 50 20 CBGD O=C(NCCc1cccs1)NNC(=O)[C@H]1CCNC1=O 823809706 AMBCJIUKASGJSS-VIFPVBQESA-N 296.352 -0.243 50 20 CBGD CN(C)C(=O)NNC(=O)COc1ccc(CO)cc1 824627850 ZBKXUXIIURROIU-UHFFFAOYSA-N 267.285 -0.140 50 20 CBGD N#CC1=CCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CC1 831488378 PZGMSAWBJGEWHU-NSHDSACASA-N 298.368 -0.416 50 20 CBGD C[C@H]1NCCN(CC(=O)NNC(=O)C2CC2)[C@@H]1C 843377877 WFQYOTPGRXLIMA-RKDXNWHRSA-N 254.334 -0.774 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](CCN)C1 843378292 NKSRDOZYBISQLP-WDEREUQCSA-N 270.377 -0.007 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@H](N)CCN(C)C)n1 846668477 ULEHBGONKMEJNO-SNVBAGLBSA-N 266.349 -0.184 50 20 CBGD O=S(=O)(CCl)N[C@H](CO)[C@@H]1CCCOC1 849399585 NRPHQVQZOKHXKE-HTQZYQBOSA-N 257.739 -0.110 50 20 CBGD COc1nccnc1NNC(=O)[C@H]1CCCN1C=O 854953421 UJGCACPEOQBFGB-MRVPVSSYSA-N 265.273 -0.451 50 20 CBGD O=C(COC1CCCC1)NNC(=O)[C@@H]1CCC(=O)N1 862451809 GXJKHLOTLHNSTL-VIFPVBQESA-N 269.301 -0.628 50 20 CBGD CCCN1C[C@H](C(=O)NNC(=O)c2cn[nH]c2)CC1=O 862469315 GPXDUVWKRLIORZ-MRVPVSSYSA-N 279.300 -0.571 50 20 CBGD N#Cc1c(F)cccc1S(=O)(=O)N1CC[C@@H](B(O)O)C1 864230987 IEOQTGNYLRRIKO-MRVPVSSYSA-N 298.104 -0.065 50 20 CBGD CC[C@]1(O)CCCN(C(=O)c2ccc(B(O)O)cc2)C1 870678152 NDLIFMQGYGEOHA-AWEZNQCLSA-N 277.129 -0.257 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCc2ncncc2C1 880597633 ALTUAWPQXXSTAN-UHFFFAOYSA-N 277.328 -0.362 50 20 CBGD CCN1CCO[C@@H](C(=O)NNC(=O)C2CCOCC2)C1 883064336 YNBZPAWOVCVSHZ-LLVKDONJSA-N 285.344 -0.719 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cncc(-n2ccnn2)c1 910156266 LBGFDRMTXOMMRO-VIFPVBQESA-N 276.300 -0.380 50 20 CBGD CCOCCO[C@@H](C)C(=O)NNC(=O)C(=O)NC(C)C 918147400 JCFUPHDDNVHLQV-VIFPVBQESA-N 289.332 -0.900 50 20 CBGD CCCNC(=O)NNC(=O)CS(=O)(=O)CC(C)C 921038213 KCEGUIVLWJZGMX-UHFFFAOYSA-N 279.362 -0.202 50 20 CBGD CC(C)C(=O)NNC(=S)NCCS(C)(=O)=O 1115992324 MKKGANYRFZPPNY-UHFFFAOYSA-N 267.376 -0.818 50 20 CBGD COc1ccc(C(=O)NNS(=O)(=O)N(C)C)cc1 1116133802 KEWMROJJEWAIPQ-UHFFFAOYSA-N 273.314 -0.264 50 20 CBGD O=C(CO[C@H]1CCOC1)NNC(=O)NCC(F)(F)F 1116910105 WLJLDMYKDINJFF-LURJTMIESA-N 285.222 -0.315 50 20 CBGD CC(C)NC(=S)NNC(=O)Cc1nnn(C(C)(C)C)n1 1118546525 QJGUDGUELVWUSW-UHFFFAOYSA-N 299.404 -0.126 50 20 CBGD COCC(=O)NNC(=O)Nc1ccnn1C[C@H]1CCOC1 1255198861 BUQHRSKXNZNGQL-SECBINFHSA-N 297.315 -0.281 50 20 CBGD COC(=O)NNC(=O)c1c(Br)nnn1C 1261200223 QCOKIJMYECDLHD-UHFFFAOYSA-N 278.066 -0.422 50 20 CBGD CC(=O)CCCC(=O)NNC(=O)C(=O)NC(C)C 1317729512 YAUMTWHTCMKDPO-UHFFFAOYSA-N 257.290 -0.582 50 20 CBGD O=C(CCCNC(=O)C1CC1)NNC(=O)Cc1cc[nH]n1 1318333890 XMALFNKXJIZGEO-UHFFFAOYSA-N 293.327 -0.594 50 20 CBGD Cc1nnc(NNC(=O)Cc2cccnc2)nc1O 1319483486 FEPQCWMBILZJLW-UHFFFAOYSA-N 260.257 -0.034 50 20 CBGD CCCn1cc(C(=O)NNc2ccc(C(N)=O)nn2)cn1 1319992532 WVQPYGZPRXJJTK-UHFFFAOYSA-N 289.299 -0.061 50 20 CBGD COC(=O)NNC(=O)Cn1ncc2ccccc2c1=O 1320388846 YBDGFKKBCKOORL-UHFFFAOYSA-N 276.252 -0.216 50 20 CBGD COC(=O)C(=O)NN[C@H](C(=O)OC)c1ccsc1 1321182840 CPODRBCVEXQEHO-ZETCQYMHSA-N 272.282 -0.244 50 20 CBGD COc1cc(C=NNC(=O)CCO)cc(O)c1O 1322320485 MBYLRMDNFCGIET-UHFFFAOYSA-N 254.242 -0.061 50 20 CBGD COC(=O)C(=O)NN=C1CCCc2nc(N)ccc21 1324551306 ORVULQAQRWCKIE-UHFFFAOYSA-N 262.269 -0.007 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)NC2CC2)[nH]1 1329209226 WFEBUBHAXPVFSG-UHFFFAOYSA-N 251.246 -0.780 50 20 CBGD CC(C)CS(=O)(=O)CCC(=O)N1CC[C@@H](B(O)O)C1 1329673033 UZLDZPJTUQUHCM-SNVBAGLBSA-N 291.178 -0.477 50 20 CBGD CC(C)NC(=S)NNC(=O)c1cnn(CCN(C)C)c1 1329683032 UNIDGIXZRUGJJY-UHFFFAOYSA-N 298.416 -0.038 50 20 CBGD CCOc1cc(C(=O)NNC(=O)N2CCN(C)CC2)[nH]n1 1330224089 JGGHMPKAYNTNTH-UHFFFAOYSA-N 296.331 -0.590 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2c[nH]nc2C2CC2)N1 1330225112 FDMGDBVAMCMANW-MRVPVSSYSA-N 277.284 -0.673 50 20 CBGD O=C(NN=C1CCS(=O)(=O)CC1)c1cn[nH]c1 1331722349 HBXNZHZAOGIOMG-UHFFFAOYSA-N 256.287 -0.296 50 20 CBGD CCCNC(=O)NNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1334867831 LCGVTIDNXLMMMQ-UHFFFAOYSA-N 297.271 -0.503 50 20 CBGD Cn1cnnc1COCC(=O)NNC(=O)c1ccc[nH]1 1343883264 ZBJOBBIYUQGQME-UHFFFAOYSA-N 278.272 -0.879 50 20 CBGD CC(C)NC(=S)NNC(=O)c1ccn(CCN(C)C)n1 1346444057 OCVSOPINZKCIID-UHFFFAOYSA-N 298.416 -0.038 50 20 CBGD O=C(NNc1ncccn1)[C@H]1CCc2nncn2C1 1347600830 TUBLNWLILHDIGP-QMMMGPOBSA-N 259.273 -0.226 50 20 CBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 1348111417 WCJOZCQLNSYMMF-IWSPIJDZSA-N 284.316 -0.837 50 20 CBGD COc1cccc(NNC(=O)[C@H]2CN3CCN2C[C@H]3C)n1 1348212355 MCYHHMKHNSRPMN-GHMZBOCLSA-N 291.355 -0.078 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CNCCC12CCC2 1575378617 PVFHONJVZSGBIX-SECBINFHSA-N 269.345 -0.316 50 20 CBGD C#CCCCC(=O)NNC(=O)Cn1cc(C(=O)O)cn1 1588435512 TWKLNPGTPOQYCH-UHFFFAOYSA-N 278.268 -0.468 50 20 CBGD CC(C)[C@H](C(=O)O)C(=O)NNC(=O)c1ccc(=O)n(C)c1 1588807983 HWIAMBMOVTVLLY-JTQLQIEISA-N 295.295 -0.497 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccc(C(=O)O)nc1 1593797652 VPDKAQKQQLQGSX-UHFFFAOYSA-N 268.298 -0.139 50 20 CBGD COc1nccnc1C=NNC(=O)NCC(=O)O 1599738551 JSFOSYWRSPKNQK-UHFFFAOYSA-N 253.218 -0.797 50 20 CBGD O=C(NNC(=O)c1cnc(C(=O)O)cn1)NC1CC1 1601555804 PIFMNRPPYCJZPO-UHFFFAOYSA-N 265.229 -0.719 50 20 CBGD C[C@@H](C(=O)O)C(=O)NNC(=O)NCc1ccco1 1602804027 DLUHQJYQEUSYET-ZCFIWIBFSA-N 255.230 -0.169 50 20 CBGD COc1cc(CNC(=O)NNC(=O)C(=O)O)ccc1C 1607161668 JEICUSQBXPBNKZ-UHFFFAOYSA-N 281.268 -0.081 50 20 CBGD CC(C)CCNC(=O)NNC(=O)C(=O)NC1CC1 42905981 BRDLDPCDNHRXMK-UHFFFAOYSA-N 256.306 -0.359 50 20 CBGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccccc1 263953564 BMPGDGMXCXPYFE-JTQLQIEISA-N 276.296 -0.009 50 20 CBGD C[C@@H](Oc1cccnc1)C(=O)NNC(=O)C(=O)NC1CC1 265600899 UUBPWFYXIQYYDH-MRVPVSSYSA-N 292.295 -0.725 50 20 CBGD COc1ccccc1C(=O)NNC(=O)C(=O)NCC1CC1 276442788 HUGRQXRHEKUHOY-UHFFFAOYSA-N 291.307 -0.018 50 20 CBGD COC(=O)N(C)NC(=O)c1c([N+](=O)[O-])cnn1C 495990973 RNWWTQRMDBCQAN-UHFFFAOYSA-N 257.206 -0.329 50 20 CBGD CC[C@H](C)[C@H](O)CNC(=O)c1cccc(B(O)O)c1 584959764 LAFXQDAZKJYIAC-JOYOIKCWSA-N 265.118 -0.497 50 20 CBGD CC[C@H](C)[C@@H](O)CNC(=O)c1ccc(B(O)O)c(F)c1 584961067 XLLKTAPZJAZAAE-UFBFGSQYSA-N 283.108 -0.358 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCCC[C@@H](CO)C1 584964152 ICWKLZLOYCIWRH-SNVBAGLBSA-N 295.119 -0.260 50 20 CBGD CS[C@@H](C)CNC(=O)c1cc(B(O)O)ccc1F 584965456 OLSQZBQUWPIKLK-ZETCQYMHSA-N 271.122 -0.013 50 20 CBGD CC[C@]1(O)CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584974810 RDUOKFICNJLWBT-ZDUSSCGKSA-N 281.092 -0.508 50 20 CBGD COCC(C)(C)CNC(=O)c1cccc(B(O)O)c1 584993537 ZQCWTNUCBAPZOH-UHFFFAOYSA-N 265.118 -0.231 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2[C@@H](CF)[C@@H]2C1 584998768 AJKXTTWJROTEMZ-CNDDSTCGSA-N 263.077 -0.346 50 20 CBGD C[C@@H]1SCC[C@@H]1NC(=O)c1cccc(B(O)O)c1 585003595 UTSNQICYKJMKDG-KWQFWETISA-N 265.143 -0.010 50 20 CBGD OB(O)c1ccc(CN[C@H]2C[C@@H](O)C23CCC3)o1 585046801 BXNDCFQBPMHYSZ-VHSXEESVSA-N 251.091 -0.648 50 20 CBGD C[C@H]1NC(=O)CC[C@H]1CNCc1cccc(B(O)O)c1 585046844 WLUNXMAULZBRSP-PWSUYJOCSA-N 276.145 -0.629 50 20 CBGD O=S(=O)(NCB(O)O)c1cccc2ccoc12 585057107 LRVSEQCSPXTZGO-UHFFFAOYSA-N 255.060 -0.277 50 20 CBGD C[C@@H](CS(C)(=O)=O)NC(=O)NNc1ncccn1 733662792 PGPTYUGSXFDYQS-ZETCQYMHSA-N 273.318 -0.464 50 20 CBGD CCC(COC)=NNC(=O)N[C@H]1CCS(=O)(=O)C1 735972224 RCXNBFXWVKUJBJ-VIFPVBQESA-N 277.346 -0.115 50 20 CBGD COCC(=O)N[C@H](C(=O)NNC(=O)C(C)(C)C)C(C)C 741214461 ZOAAUXZNFUZEMI-JTQLQIEISA-N 287.360 -0.033 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)Cc1ccncc1 747428174 IBRRPBHSDALNNW-ZDUSSCGKSA-N 286.335 -0.131 50 20 CBGD Cn1ccc(CNC(=O)NNC(=O)C(=O)N2CCCC2)c1 747955445 PZACVHMFDZIPLH-UHFFFAOYSA-N 293.327 -0.522 50 20 CBGD O=C(COC1CCCC1)NNC(=O)C(=O)N1CCCC1 748240264 QZKIDFIHBBESTO-UHFFFAOYSA-N 283.328 -0.285 50 20 CBGD CC(C)OCCS(=O)(=O)NNC(=O)N(C)C 749011342 JZXAMUJJLRDLJW-UHFFFAOYSA-N 253.324 -0.483 50 20 CBGD CC1=C(C(=O)NNC(=O)Cc2cc[nH]n2)C(=O)OC1(C)C 755284888 GLZHPFDUFLVEBO-UHFFFAOYSA-N 292.295 -0.249 50 20 CBGD O=C(NNC(=O)c1ccc2nnnn2c1)c1ccncc1 758148726 NXXDWXQFBFWGIY-UHFFFAOYSA-N 283.251 -0.406 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@H](C)CC(=O)OCC 760875866 OZWSGSDUXQGIIN-SECBINFHSA-N 289.332 -0.057 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)C[C@@H](O)C1CC1 764282050 BWDPPQTXLWRQPM-WCBMZHEXSA-N 257.334 -0.365 50 20 CBGD C#CCC(C)(C)C(=O)NNC(=O)C(=O)NC1CC1 767295011 XANXKESYEZWRTR-UHFFFAOYSA-N 251.286 -0.538 50 20 CBGD COC(=O)CC(C)(C)CC(=O)NNC(=O)C(C)(C)O 768244827 OPXUYDZZEULLCO-UHFFFAOYSA-N 274.317 -0.116 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)c2ccncc2)C1=O 771841113 USICOFYEPKVFFC-VIFPVBQESA-N 262.269 -0.679 50 20 CBGD C[C@H]1C(=O)N(C)CCN1S(=O)(=O)CBr 778117213 AJVBKRLMDFYTRL-LURJTMIESA-N 285.163 -0.169 50 20 CBGD Cc1cnc(C(=O)NNC(=O)C(=O)NC(C)C)c(C)c1 779878245 CQFTZZYFBOXLFH-UHFFFAOYSA-N 278.312 -0.016 50 20 CBGD CN(CC(=O)NNC(=O)N=c1cc[nH]cc1)C(=O)C1CC1 802026758 JRTAKRXXKYYSNV-UHFFFAOYSA-N 291.311 -0.475 50 20 CBGD Cn1cnc(C(=O)NNC(=O)CNc2ccccc2)n1 809992174 KBULGLMQMJOILC-UHFFFAOYSA-N 274.284 -0.312 50 20 CBGD N#Cc1ccc(C(=O)NN=C2C(=O)NC(=O)NC2=O)cc1 814219292 LETUMVUSMSTWNL-UHFFFAOYSA-N 285.219 -0.990 50 20 CBGD O=C(CN1C(=O)c2ccccc2C1=O)NNc1nc[nH]n1 816633289 WJMIBWPALGBOKO-UHFFFAOYSA-N 286.251 -0.456 50 20 CBGD C[C@@](C#N)(CC(=O)O)C(=O)NNC(=O)c1ccccn1 819847840 PIOVQPYJXBPSGF-LBPRGKRZSA-N 276.252 -0.153 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cnn2c1OCCC2 823923960 WJRSBUZWGDYRST-MRVPVSSYSA-N 254.290 -0.377 50 20 CBGD O=C1CC[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)N1 826480295 WZWXJTVZUAFQMO-SECBINFHSA-N 287.283 -0.412 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2ccc(C(=O)O)cn2)n[nH]1 832864414 CTRWWJWWLKPOQS-UHFFFAOYSA-N 289.251 -0.114 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2CCCN2C=O)n1 834815798 LVEBMRIOEJXUPN-NSHDSACASA-N 276.296 -0.228 50 20 CBGD C[C@H](N)CNC(=O)NNC(=O)COc1ccccc1F 841983684 FPOBJJLTCRQYSU-QMMMGPOBSA-N 284.291 -0.118 50 20 CBGD CCn1ccc(CC(=O)NNC(=O)NC2CC2)n1 845298148 BFOYUSUCJIHHOO-UHFFFAOYSA-N 251.290 -0.062 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cncnc1C 848405807 ZMHBYPXGCFFWAX-VIFPVBQESA-N 299.356 -0.437 50 20 CBGD CNC(=S)N(C)NC(=O)c1cncc(C(=O)OC)c1 854923275 PDSZIVUFSMONIS-UHFFFAOYSA-N 282.325 -0.051 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cc(F)cnc2O)CC1 857190236 HGFJNTXOOCFPPO-UHFFFAOYSA-N 297.290 -0.472 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1ncc(Cl)cn1 857355808 OBNPLFLFGHTOJQ-YFKPBYRVSA-N 293.736 -0.489 50 20 CBGD CCn1nncc1CNC(=O)NNC(=O)[C@H]1CCCCO1 858646406 SUPXDTCPTJXBPE-SNVBAGLBSA-N 296.331 -0.303 50 20 CBGD COC(=O)COCCNC(=O)NNC(=O)C(C)C 858835716 OXLSDCNSPDACGS-UHFFFAOYSA-N 261.278 -0.838 50 20 CBGD O=C(NNC(=O)C(F)(F)C1(O)CCC1)c1cn[nH]c1 862471947 CZUYXTMKRYQSGW-UHFFFAOYSA-N 274.227 -0.279 50 20 CBGD CC[S@](=O)CCNCc1ccc(B(O)O)cc1 863887988 BXVWQXHJZKMHQZ-KRWDZBQOSA-N 255.148 -0.775 50 20 CBGD O=C(NNCC(F)(F)C(F)(F)F)c1n[nH]c(O)n1 863942629 WAFUAHIGRAVFBY-UHFFFAOYSA-N 275.137 -0.058 50 20 CBGD CC(C)(CNCc1ccc(B(O)O)cc1)C(=O)O 901507001 RFKGEAOMWDIDHS-UHFFFAOYSA-N 251.091 -0.433 50 20 CBGD CC[C@H](O)[C@H](C)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 908281948 YKMHFWMJLSFVQA-DCAQKATOSA-N 292.401 -0.114 50 20 CBGD CC[C@H](O)[C@@H](C)C(=O)NNC(=O)COCCOC 913432980 CWAMSBQRNMHCDT-BDAKNGLRSA-N 262.306 -0.796 50 20 CBGD O=C(CC[C@@H]1CCOC1)NNC(=O)[C@@H]1CCC(=O)N1 1118884238 CSMOJXXQBWIPII-BDAKNGLRSA-N 269.301 -0.771 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cn(C2CCOCC2)nn1 1119105571 SDZMHLQEZKIQBD-SECBINFHSA-N 283.332 -0.413 50 20 CBGD CCn1cc(NC(=S)NNC(=O)C(=O)NC(C)C)cn1 1251478593 HPTYSKNJENMWFL-UHFFFAOYSA-N 298.372 -0.255 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 1317762359 URHACNZRIIOUJA-UHFFFAOYSA-N 285.281 -0.653 50 20 CBGD CCNC(=O)CCCC(=O)NNc1nnc(C)c(O)n1 1318316648 XCSWZRTZJGEREP-UHFFFAOYSA-N 282.304 -0.365 50 20 CBGD CC(C)NC(=S)NNC(=O)Cn1cc([C@@H](C)O)nn1 1319172574 ZFWIJWPQOZMKCF-SSDOTTSWSA-N 286.361 -0.765 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1nc(C)c(C)s1 1319299478 KDLASOGJWLUHOR-UHFFFAOYSA-N 286.313 -0.237 50 20 CBGD COCC[C@@H](NC(=O)NNC(=O)C(=O)OC)c1ccco1 1320062323 ZEFOBTYOTQSYDQ-MRVPVSSYSA-N 299.283 -0.139 50 20 CBGD CNC(=O)Cc1ccccc1NC(=O)NNC(=O)CCO 1320280465 VNCXBWBYNSCGEY-UHFFFAOYSA-N 294.311 -0.490 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC[C@H]1CCCCO1 1320793545 VXRYCPCIYFIRHH-MRVPVSSYSA-N 273.289 -0.551 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc2nn[nH]c2c1 1322595338 YNAIDCHXVHKFTC-UHFFFAOYSA-N 290.283 -0.757 50 20 CBGD COC[C@@H](C)CC(=O)NNC(=O)C(=O)Nc1ccccn1 1323814637 WAXHWDQPWTTWPP-VIFPVBQESA-N 294.311 -0.160 50 20 CBGD C[C@@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)C(=O)N(C)C 1326279130 JUUQLLULADPXEP-IWSPIJDZSA-N 286.332 -0.782 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@H]2NC(=O)O[C@H]2C)cc1 1331434724 QTDPTQJVMRFYMB-XVKPBYJWSA-N 293.279 -0.047 50 20 CBGD COCCN(C)NC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1 1338999453 UKNKNQYTXGWLEW-NSHDSACASA-N 281.316 -0.478 50 20 CBGD CN(C)C(=O)c1ccc(C=NNC(=O)CCO)[nH]1 1340058354 JGFBGGUPBXGNPO-UHFFFAOYSA-N 252.274 -0.451 50 20 CBGD CCc1nn(C)cc1C(=O)NNc1nccn(C)c1=O 1341633143 IVLRKNACRWWMJI-UHFFFAOYSA-N 276.300 -0.167 50 20 CBGD CCn1cnc(C(=O)NNC(=O)C(=O)N2CCCC2)c1 1351132235 KLKGYXNMONBTBS-UHFFFAOYSA-N 279.300 -0.714 50 20 CBGD CNC[C@H](O)[C@H](C)C(=O)NNC(=O)c1ccccc1F 1578646226 QNTJXGXZXUFFGI-KWQFWETISA-N 283.303 -0.197 50 20 CBGD NCc1ncc(C(=O)NNC(=O)N=c2cc[nH]cc2)s1 1580354847 LJTNJIKAQAURNQ-UHFFFAOYSA-N 292.324 -0.115 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccc(-c2nn[nH]n2)o1 1589883088 WOCMUPUMVJHNDK-ZCFIWIBFSA-N 266.261 -0.583 50 20 CBGD O=C(Cc1cnc[nH]1)NNc1ccc(-c2nn[nH]n2)cn1 1592928576 ISVXASMJSDATCK-UHFFFAOYSA-N 285.271 -0.329 50 20 CBGD COc1nccnc1NNC(=O)c1cc(C(=O)O)n[nH]1 1594159075 CCEBLJYEAVELGY-UHFFFAOYSA-N 278.228 -0.337 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNc1ccc(CC(=O)O)cc1 1599901010 GWGPMKKRTJJAPU-ZETCQYMHSA-N 280.284 -0.186 50 20 CBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)nc1)NC1CC1 1606853843 HZGXTMOCUJRKHK-UHFFFAOYSA-N 288.271 -0.632 50 20 CBGD COc1cc(F)ccc1NC(=O)C(=O)NNC(=O)C(=O)O 1610295972 FFESTVROOJROOH-UHFFFAOYSA-N 299.214 -0.995 50 20 CBGD C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796370920 RMOYQESMXQGPDE-OEIWMXHLSA-N 288.706 -0.256 50 20 CBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 7239690 VXVKLNKOTBPLGZ-SNVBAGLBSA-N 282.321 -0.118 50 20 CBGD O=C(CN1CC[C@@H](CO)C1)NNC(=O)c1ccccc1 51887395 DDCSJIHGCSBQLQ-LLVKDONJSA-N 277.324 -0.238 50 20 CBGD CC(=O)NNC1=c2cc(C)cc(Br)c2=NC1=O 137293683 KTPSJJDSHDAYNQ-UHFFFAOYSA-N 296.124 -0.334 50 20 CBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NN(C)C(N)=O 271244773 CLJJPIUUYIFOBF-LURJTMIESA-N 260.294 -0.059 50 20 CBGD CN(NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C(N)=O 271357163 PEKKBZBGMZRPNN-YUMQZZPRSA-N 282.300 -0.797 50 20 CBGD Cc1ncccc1C(=O)NNC(=O)N1CCN(C)CC1 278518471 BRHAWDYSSMCWNY-UHFFFAOYSA-N 277.328 -0.008 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cccnc2O)CC1 278777362 YPZBVWKKFFBILB-UHFFFAOYSA-N 279.300 -0.611 50 20 CBGD COC(=O)COCC(=O)NNC(=O)c1ccc(C)o1 287917796 VSHLIMHVIHHEGI-UHFFFAOYSA-N 270.241 -0.461 50 20 CBGD O=C(C[C@H]1CCCC(=O)N1)NNC(=O)c1ccncc1 289212480 WRWRWRYCRDXDOR-SNVBAGLBSA-N 276.296 -0.099 50 20 CBGD CO[C@H]1COC[C@@H]1NC(=O)NNc1ncccn1 291115869 DWVDWLDMGCGAKW-YUMQZZPRSA-N 253.262 -0.484 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNc1nc2ccccn2n1 365147242 FRBAXKOVNGZYQL-SNVBAGLBSA-N 290.327 -0.107 50 20 CBGD C[C@H]1CCN(C(=O)C(=O)Nc2cccc(B(O)O)c2)C1 584912554 GXLZXZFDFTYCNY-VIFPVBQESA-N 276.101 -0.827 50 20 CBGD O=C(NCCC1CCOCC1)c1ccc(B(O)O)cc1 584947254 JYKCMKJTPNOLTQ-UHFFFAOYSA-N 277.129 -0.087 50 20 CBGD C=CCO[C@H](C)CNC(=O)c1cccc(B(O)O)c1 584987262 SKZAPBDIYKMCPG-SNVBAGLBSA-N 263.102 -0.313 50 20 CBGD C[C@H](CCCCO)NC(=O)c1ccc(B(O)O)cc1 584994611 BKBSKFHEIDUPLT-SNVBAGLBSA-N 265.118 -0.353 50 20 CBGD CC1(C)C[C@H](O)CCN(C(=O)c2cccc(B(O)O)c2)C1 584996768 PGRZXMJYWGCMKW-CYBMUJFWSA-N 291.156 -0.011 50 20 CBGD C[C@@H](CCNCc1ccc(B(O)O)cc1F)[S@@](C)=O 585034960 WAGMKBBOTASGTL-ZRNGKTOUSA-N 287.165 -0.248 50 20 CBGD CC[C@H](NCc1ccc(B(O)O)o1)[C@@H](O)C(F)(F)F 585035665 WMNYVSHWYUBNCM-IONNQARKSA-N 281.039 -0.249 50 20 CBGD NC(=O)[C@@H]1CC[C@H](NCc2ccc(B(O)O)cc2F)C1 585044717 RBOBFPRELCTUBR-KCJUWKMLSA-N 280.108 -0.751 50 20 CBGD CO[C@@H](CNCc1ccc(B(O)O)cc1F)[C@H]1CCOC1 585046578 WPGMPJFYSYXSNL-FZMZJTMJSA-N 297.135 -0.353 50 20 CBGD C[C@H]1NC(=O)CC[C@H]1CNCc1ccc(B(O)O)cc1F 585046805 WEDUTBPKUXKOGR-ZJUUUORDSA-N 294.135 -0.490 50 20 CBGD CNc1ccc(C(=O)NCB(O)O)cc1[N+](=O)[O-] 585058897 SRZYZIOHDFSEHC-UHFFFAOYSA-N 253.023 -0.622 50 20 CBGD O=C(NCB(O)O)c1ccc(-c2csnn2)cc1 585062517 KBEUUOZSZZGQSQ-UHFFFAOYSA-N 263.087 -0.053 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cc(C(=O)O)ccc1O 751210608 HHAPPOXRRYVQOF-UHFFFAOYSA-N 289.269 -0.787 50 20 CBGD O=C(CO)NNC(=O)c1ccc([N+](=O)[O-])c(O)c1 753453049 WWSVJQBVUWTDQS-UHFFFAOYSA-N 255.186 -0.946 50 20 CBGD O=C(CCn1cccc1)NNC(=O)Cc1cc[nH]n1 755269674 VKISIZPGDRIFLW-UHFFFAOYSA-N 261.285 -0.009 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@H]2CCNC(=O)C2)nc1 759724805 HQEATBFXLVHAHO-QMMMGPOBSA-N 292.295 -0.163 50 20 CBGD CN(C)c1cccc(NC(=O)NNC(=O)CO)n1 764723119 AZCSJRXWJNISFP-UHFFFAOYSA-N 253.262 -0.707 50 20 CBGD O=C(NCC1(N2CCOCC2)CC1)NNC(=O)C1CCC1 764827267 DHNDRJFGWHYGAS-UHFFFAOYSA-N 296.371 -0.018 50 20 CBGD CN(C)c1nccc(NNC(=O)C(C)(C)C(N)=O)n1 769990330 LPXOUAUCSFHGAS-UHFFFAOYSA-N 266.305 -0.503 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC(O)(C(C)C)C1 773895142 GATDFXJVPFBOEM-VIFPVBQESA-N 257.334 -0.365 50 20 CBGD C/C=C(\CC)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 789743296 GSTBOLSGOAFISF-IPQKIJNHSA-N 289.357 -0.140 50 20 CBGD C[C@@H](C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)N(C)C 792856489 ZFJJVENUQCPTRZ-UWVGGRQHSA-N 277.390 -0.571 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CC(=O)N(CC(C)C)C1 823846913 ORCSFGDZLIVEQY-NSHDSACASA-N 271.361 -0.164 50 20 CBGD CCS(=O)(=O)CC(C)=NNC(=O)NCC(=O)O 833665084 DERWLPIWULLNCD-UHFFFAOYSA-N 265.291 -0.819 50 20 CBGD COc1cncc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n1 843655707 KUTNRQMNONUOAR-SFYZADRCSA-N 280.284 -0.329 50 20 CBGD O=C(NNS(=O)(=O)N1C[C@H]2CC[C@H]1C2)c1ncccn1 844662799 AJJPDCJMGYKOKB-IUCAKERBSA-N 297.340 -0.560 50 20 CBGD O=C(CC1CC1)NNC(=O)[C@@H]1CCc2nnnn2CC1 846227626 BQZHMXGEZGVGCH-SECBINFHSA-N 278.316 -0.427 50 20 CBGD CNC[C@H](C)NC(=O)NNc1nc2ccccn2n1 851680422 IJTYPGRKUCPGTL-QMMMGPOBSA-N 263.305 -0.037 50 20 CBGD CC(C)(C)n1nnc(CC(=O)NNC(=O)C2CC2)n1 854180667 PPAWXBXUZXFSRA-UHFFFAOYSA-N 266.305 -0.472 50 20 CBGD CNC(=S)N(C)NC(=O)C[C@@H]1CCC(=O)N1C 854927295 BSIOLOJCFQHOKK-ZETCQYMHSA-N 258.347 -0.535 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)C2CC3(CCC3)C2)N1 862460625 IRIBWFTXJNVGLN-SECBINFHSA-N 265.313 -0.007 50 20 CBGD CCOCCO[C@H](C)C(=O)NNC(=O)c1cn[nH]c1 862474986 VDXYOVFGDCYHIQ-MRVPVSSYSA-N 270.289 -0.388 50 20 CBGD OB(O)c1cccc(CN[C@H]2CCN(CC(F)F)C2)c1 863890007 LZYCCXMJDBAHBZ-LBPRGKRZSA-N 284.115 -0.205 50 20 CBGD COC1CC(C(=O)NNC(=O)Cc2cc(C)[nH]n2)C1 869018462 KPLPNLZCOBJMML-UHFFFAOYSA-N 266.301 -0.167 50 20 CBGD CCc1c(C(=O)NNC(=O)COCCOC)cnn1C 869909806 JUNBLSZXQDKZJZ-UHFFFAOYSA-N 284.316 -0.594 50 20 CBGD COC(=O)N(C)NC(=O)NC1CCN(OC)CC1 875681262 ZRUIMUTYZWTENE-UHFFFAOYSA-N 260.294 -0.075 50 20 CBGD O=C(CCN1CCOCC1)NNC(=O)C1CCC1 912852411 UNQJCOAUXLPZSG-UHFFFAOYSA-N 255.318 -0.344 50 20 CBGD CCNC(=O)NNC(=O)CCn1cc([N+](=O)[O-])cn1 920857434 LUYCMFCCPAUDRP-UHFFFAOYSA-N 270.249 -0.468 50 20 CBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)NCC1CC1 930734728 QQFNDLUVCXMRKF-RKDXNWHRSA-N 269.301 -0.074 50 20 CBGD CCn1nc(C(=O)NNc2ncncc2F)ccc1=O 1117791185 QZMKPUPHUQDEHL-UHFFFAOYSA-N 278.247 -0.051 50 20 CBGD CC(C)NC(=S)NNC(=O)c1cc(B(O)O)ccc1F 1118920102 LGGMWRNVPZNBEH-UHFFFAOYSA-N 299.136 -0.977 50 20 CBGD Cc1nnc(COCC(=O)NN(C)C[C@@H](C)O)s1 1119581404 GADYMWGWMZTHBF-SSDOTTSWSA-N 274.346 -0.293 50 20 CBGD CCc1nn(C)cc1NC(=O)C(=O)NNC(=O)C1CCC1 1321152820 YANRVGTVGKVPKA-UHFFFAOYSA-N 293.327 -0.132 50 20 CBGD COC(=O)C(=O)NN=Cc1cccc(OCC(=O)O)c1 1322286312 ODQIYCFAOUVBLV-UHFFFAOYSA-N 280.236 -0.227 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCNC2=O)c(O)c1 1331051272 SGIAIBPHIVLUTL-SECBINFHSA-N 277.280 -0.402 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)C1CCOCC1 1335347369 PJVFVVBZYGUXRZ-UHFFFAOYSA-N 262.331 -0.050 50 20 CBGD O=C(NNC(=O)c1ccc(F)cn1)C(=O)NC1CC1 1337700290 OCRMPFVMIDRMMJ-UHFFFAOYSA-N 266.232 -0.740 50 20 CBGD CN(C)S(=O)(=O)/C(C#N)=C/c1cn(CC(=O)O)nn1 1339671129 WCYFJZWNQNDMRT-FPYGCLRLSA-N 285.285 -0.881 50 20 CBGD CC[C@H](C#N)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1349522131 OICPXNVQZUEFHY-HTQZYQBOSA-N 288.329 -0.946 50 20 CBGD C[C@H](NC(=S)NNC(=O)c1ccc(=O)n(C)n1)C1CC1 1351044632 PDOCCAKOZMMCOL-ZETCQYMHSA-N 295.368 -0.312 50 20 CBGD CO[C@@H](C(=O)N1CC[C@H](B(O)O)C1)c1cnn(C)c1 1351728241 CWCSCRMALYALLI-VHSXEESVSA-N 267.094 -0.817 50 20 CBGD CON1CCC(=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)CC1 1549314510 LQOZMRFFUFUULQ-QWHCGFSZSA-N 296.371 -0.021 50 20 CBGD CC(C)(C)OC(=O)NC1(C(=O)NNC(=O)[C@@H]2CCN2)CC1 1575208997 XUXDCKOJPBNPKI-QMMMGPOBSA-N 298.343 -0.447 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@H](C(=O)O)C1 1588799485 LAEPJHXHSVUYTA-QMMMGPOBSA-N 257.290 -0.804 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H](C1CCOCC1)C1CC1 1601553192 XGXIVYXIEKAQAY-SECBINFHSA-N 285.300 -0.393 50 20 CBGD CO[C@H](C(=O)O)C(=O)NN(C)C(=O)OC(C)(C)C 1604433695 GRULFWLHSWTXJJ-LURJTMIESA-N 262.262 -0.016 50 20 CBGD CC[C@@H](C)N(CC(=O)O)C(=O)c1cccc(B(O)O)c1 1604960514 KXPPZHWUHSILSK-SECBINFHSA-N 279.101 -0.308 50 20 CBGD OB(O)[C@@H]1CCN(c2ncccc2-c2nn[nH]n2)C1 1607091282 FWGJLQVDTZYHTN-SSDOTTSWSA-N 260.066 -0.685 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cc(C(=O)O)co1 1610140757 ITBRATBDGGCDQJ-UHFFFAOYSA-N 263.231 -0.900 50 20 CBGD CO[C@H]1c2ccccc2C[C@H]1NC(=O)NNC(=O)C(=O)O 1610276462 ONGGJHDQHAABMM-ZJUUUORDSA-N 293.279 -0.286 50 20 CBGD N#CC(C#N)=C(N)/C(C#N)=C\c1cn(CC(=O)O)nn1 1776117852 KGXYYTRNMBSSJP-XFSBKJJWSA-N 269.224 -0.470 50 20 CBGD CCOC(=O)NNC(=O)CCn1cc([N+](=O)[O-])cn1 67286938 NQBDUIOELVXVSL-UHFFFAOYSA-N 271.233 -0.041 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NCCNC(=O)C1CC1 79252328 PGPKBIBYDFYBRH-UHFFFAOYSA-N 270.333 -0.111 50 20 CBGD CN1CCN(CC(=O)NNC(=O)C2CC2)C(C)(C)C1=O 129733106 WEMRPUGQYXBGCI-UHFFFAOYSA-N 282.344 -0.904 50 20 CBGD CC[C@@H](C(=O)NNC(=O)CNC(=O)c1ccco1)N(C)C 160120812 BAVZSLJLLCIXOD-VIFPVBQESA-N 296.327 -0.503 50 20 CBGD CCc1ccnc(C(=O)NNC(=O)CN(C)C)c1 182608676 AGAWEDKMJKCLQH-UHFFFAOYSA-N 250.302 -0.033 50 20 CBGD COCCN(C)NC(=O)COc1ccc(C(N)=O)cc1 294424845 OOYFPXHFRDHAAH-UHFFFAOYSA-N 281.312 -0.226 50 20 CBGD CNC(=O)NCCC(=O)NNC(=O)c1ccc(C)o1 294917442 KEARPCACSTTWKZ-UHFFFAOYSA-N 268.273 -0.332 50 20 CBGD NC(=O)CCCCC(=O)Nc1cccc(B(O)O)c1 584911991 BPJXHEATNSLYOZ-UHFFFAOYSA-N 264.090 -0.649 50 20 CBGD O=C(NC[C@H]1CCCC[C@@H]1O)c1cc(B(O)O)ccc1F 584948609 DQHRZZMHIOGVGO-RNCFNFMXSA-N 295.119 -0.214 50 20 CBGD CC[C@@H](NC(=O)c1cccc(B(O)O)c1)[C@@H]1CCOC1 584951531 JJPYYLFFBQJFPW-DGCLKSJQSA-N 277.129 -0.089 50 20 CBGD CC[C@@H]1COCCN1C(=O)c1cccc(B(O)O)c1 584951799 PCGTZKAPLLKSAT-GFCCVEGCSA-N 263.102 -0.383 50 20 CBGD COC[C@H](NC(=O)c1cccc(B(O)O)c1)C1CC1 584965652 UHPGGFYRZRBBHT-LBPRGKRZSA-N 263.102 -0.479 50 20 CBGD O=C(NCCC1CC(O)C1)c1cc(B(O)O)ccc1F 584983787 TVCFLLCNLNFZQH-UHFFFAOYSA-N 281.092 -0.604 50 20 CBGD Nc1c(C(=O)NCB(O)O)cc(F)cc1[N+](=O)[O-] 585055442 AGQMECQFVFVREJ-UHFFFAOYSA-N 256.986 -0.942 50 20 CBGD O=C(COc1ccc(F)cc1Cl)NCB(O)O 585057943 OVCZYTQGNSABDN-UHFFFAOYSA-N 261.445 -0.014 50 20 CBGD CC(C)C(=O)NNC(=O)NCCCN1C(=O)CCC1=O 730029977 ZAKAEDBGCLXTON-UHFFFAOYSA-N 284.316 -0.488 50 20 CBGD O=C(COC(=O)[C@@H](O)C1CC1)NNC(=O)c1cccs1 730883215 MCWSQWMBGDLAMS-JTQLQIEISA-N 298.320 -0.177 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]1C(=O)O)NC1CCCC1 739454119 QLEGSZDTHHSCGE-HTQZYQBOSA-N 255.274 -0.020 50 20 CBGD O=C(O)CSCCC(=O)NNC(=O)NC1CC1 739846901 TUIPJWUMVNEWEQ-UHFFFAOYSA-N 261.303 -0.313 50 20 CBGD O=C(NN=Cc1cc[nH]c1)[C@H]1CCS(=O)(=O)C1 745199085 GOZAAKZHSBRJQI-VIFPVBQESA-N 255.299 -0.101 50 20 CBGD CN(C)C(=O)NNC(=O)[C@]12CCC(=O)N1CCS2 746005954 FKAIJZGJHAWAIE-SNVBAGLBSA-N 272.330 -0.646 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)NCCn1cccn1 747582056 BTSVWASRDONDKU-UHFFFAOYSA-N 288.311 -0.149 50 20 CBGD N#Cc1cccc(NNC(=O)CCn2cc[nH]c(=O)c2=O)c1 748045338 IKRBNROJLDHIHW-UHFFFAOYSA-N 299.290 -0.058 50 20 CBGD O=Cc1ccc(C(=O)NNC(=O)N2CCOCC2)[nH]1 749936361 XFTYIRPPTZEGNS-UHFFFAOYSA-N 266.257 -0.486 50 20 CBGD CS[C@@H](C)CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758035951 OQMPXBDGIVJKCU-BQBZGAKWSA-N 297.402 -0.787 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCCCCNC(N)=O)n[nH]1 765583848 RJYUVHSHOAKDST-UHFFFAOYSA-N 296.331 -0.292 50 20 CBGD CCC(=O)NNS(=O)(=O)c1cn(C)c(Cl)n1 769822028 FXXAITZSXDNXFM-UHFFFAOYSA-N 266.710 -0.207 50 20 CBGD CC(C)(C(N)=O)C(=O)NNC(=O)CCc1ccccc1O 769942561 XNJWYSJMANKCFX-UHFFFAOYSA-N 293.323 -0.016 50 20 CBGD CCc1cncc(C(=O)NNC(=O)C(=O)NC(C)C)c1 789879744 ARFVZLKAUKRBAO-UHFFFAOYSA-N 278.312 -0.070 50 20 CBGD C=CCNC(=S)NNC(=O)c1ccc2nnnn2c1 798306840 WHSLAAAIKWWJKB-UHFFFAOYSA-N 277.313 -0.581 50 20 CBGD C[C@@H]1CC(=O)CC[C@H]1C(=O)NNC(=O)N1CCN(C)CC1 807379837 FWKNXGIFJZIUTL-ZYHUDNBSSA-N 296.371 -0.020 50 20 CBGD O=C(CO)NNC(=O)[C@H]1C[C@H](c2ccccc2)OC1=O 809749386 GWMXIHSSRIHLME-NXEZZACHSA-N 278.264 -0.570 50 20 CBGD O=C(C[C@@H]1CCCC(=O)N1)NNC(=O)N=c1cc[nH]cc1 813573668 GESBCIOQLITJKE-JTQLQIEISA-N 291.311 -0.285 50 20 CBGD NC(=O)C(=O)NN=Cc1cccc(C(=O)O)c1Cl 814695500 FMTPBPLIMDRPFM-UHFFFAOYSA-N 269.644 -0.026 50 20 CBGD CN(C)CC1(C(=O)NNC(=O)N=c2cc[nH]cc2)CC1 822760728 RMJCNHJFLUIRBL-UHFFFAOYSA-N 277.328 -0.002 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCc2nn[nH]c21)NC1CC1 823767831 JORLEFBQOJBIHI-SSDOTTSWSA-N 264.289 -0.283 50 20 CBGD CCN(CCO)NC(=O)Cn1nnnc1-c1ccsc1 823893249 BDVATWIJUCHQAU-UHFFFAOYSA-N 296.356 -0.253 50 20 CBGD COC(=O)[C@]1(C)CCN(CC(=O)NNC(=O)C(C)C)C1 828047341 KUQZDDJPJFLRKO-CYBMUJFWSA-N 285.344 -0.325 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccn(C)n1 831401456 VFQGLMXQLUCMSP-HTQZYQBOSA-N 267.289 -0.002 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)[C@H]1CCCCO1 844551682 GFTRQJMWNZWBQH-SNVBAGLBSA-N 285.344 -0.135 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@H]1CCc2nnnn2CC1 845324218 XFOWFUGSMHASON-QMMMGPOBSA-N 281.320 -0.636 50 20 CBGD O=C(NNc1ccncn1)[C@@H]1CCc2nnnn2CC1 846235874 KAEGULGHQLVZCX-MRVPVSSYSA-N 274.288 -0.441 50 20 CBGD CN(NC(=O)Cn1nc2n(c1=O)CCCC2)C1CC1 846267945 GCKBUPRCOQNYRN-UHFFFAOYSA-N 265.317 -0.494 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCc2cnc(N)nc2C1 857924224 CUHRARLUAQKBBF-MRVPVSSYSA-N 292.343 -0.637 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CCOC(=O)N1 858126064 RDYWTZDRRMILKZ-ZCFIWIBFSA-N 258.303 -0.834 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(F)(F)F 858461813 XFBCLZKXESTGAO-WHFBIAKZSA-N 282.222 -0.454 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1cn(C)nc1C 863188608 YSBZQSUJUFGWIH-UHFFFAOYSA-N 272.330 -0.387 50 20 CBGD O=C(/C=C\CN1CCOCC1)NNc1ncc(F)cn1 867042991 FEHMVNSAOGMOMM-UPHRSURJSA-N 281.291 -0.053 50 20 CBGD CO[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CCO1 878970273 MHVCKGUOCLUONE-JTQLQIEISA-N 273.333 -0.515 50 20 CBGD Cc1nc(CC(=O)NNC(=S)NC(C)(C)C)n[nH]1 899998526 RGQKBXNLLFMCPT-UHFFFAOYSA-N 270.362 -0.051 50 20 CBGD CCO[C@@H]1CC(=NNC(=O)c2ncon2)[C@H]1OC 901287152 PIOZUQIUHINGMN-HTQZYQBOSA-N 254.246 -0.021 50 20 CBGD Cc1cc(=NNC(=O)[C@H]2OCCN(C)C2=O)cc[nH]1 912981218 FUHARLHMVHKSJC-SNVBAGLBSA-N 264.285 -0.888 50 20 CBGD CC(=O)NCC(=O)NNC(=O)COc1ccc(C#N)cc1 913455139 MUNGOQUJHXUAGZ-UHFFFAOYSA-N 290.279 -0.779 50 20 CBGD CCc1cc(C(=O)NNC(=O)CN2CCCC2=O)n(C)n1 913730267 ONCWWJMMBFBELV-UHFFFAOYSA-N 293.327 -0.634 50 20 CBGD O=C(C[C@@H]1CCCCO1)NNC(=O)CN1CCCC1=O 913731552 MSOBWWZTFIHFRU-JTQLQIEISA-N 283.328 -0.285 50 20 CBGD COC(=O)N(C)NC(=O)NCCO[C@@H]1CCOC1 927527647 SKPVRNJXHKKJLE-MRVPVSSYSA-N 261.278 -0.296 50 20 CBGD CCOC(=O)[C@@H]1CCN([C@H](C)C(=O)NNC(=O)CC)C1 932640410 AFYVHWUCVFOSQR-NXEZZACHSA-N 285.344 -0.183 50 20 CBGD O=C(CN1CC[C@@H]1CO)NNC(=O)c1cccs1 934023127 QJYRGNDYCKKZOS-MRVPVSSYSA-N 269.326 -0.424 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCc1nc(C(C)C)no1 1116187285 NEZUEEBERALXQQ-UHFFFAOYSA-N 299.287 -0.761 50 20 CBGD CN(NC(=O)c1n[nH]cc1Br)C(N)=O 1123640283 NLBXZEUNHTXGMS-UHFFFAOYSA-N 262.067 -0.173 50 20 CBGD NC(=O)c1ccc(C(=O)NNc2ncccn2)nc1 1251343603 VGGHVYUPEPGSJQ-UHFFFAOYSA-N 258.241 -0.273 50 20 CBGD NC(=O)C1(NS(=O)(=O)CCCCl)CCOCC1 1260059074 ASXHXQSXTANACS-UHFFFAOYSA-N 284.765 -0.431 50 20 CBGD CCOC1(C(=O)N2CC[C@@H](B(O)O)C2)CCOCC1 1261843557 KSDAYWWJUJVTEI-SNVBAGLBSA-N 271.122 -0.353 50 20 CBGD CN(C)C(=O)NNC(=O)c1csc(S(N)(=O)=O)c1 1318220915 KSTWQMRMYUFHRC-UHFFFAOYSA-N 292.342 -0.689 50 20 CBGD CS(=O)(=O)c1cccc(NNC(=O)[C@H]2CCC(=O)N2)c1 1320668662 AFWFUMYWUZLDPK-SNVBAGLBSA-N 297.336 -0.188 50 20 CBGD COC(=O)NNC(=O)c1ccc(-n2ccnc2)nn1 1321186092 SSVNTMWWIDUPPM-UHFFFAOYSA-N 262.229 -0.337 50 20 CBGD Cn1ccc(CNC(=O)NNC(=O)C(=O)NC2CC2)c1 1322297416 YRTMXCFOVIJEMH-UHFFFAOYSA-N 279.300 -0.866 50 20 CBGD Cc1nnc2ccc(C(=O)NNC(=O)N(C)C)cn12 1322303464 KQARGUYKWIOGTH-UHFFFAOYSA-N 262.273 -0.046 50 20 CBGD Cn1ccnc(NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c1=O 1323508258 IZFYENVWVCPGMH-HRDYMLBCSA-N 264.285 -0.209 50 20 CBGD COC(=O)C(=O)NN=Cc1cc(C(=O)O)c(C)[nH]1 1325204999 CTGYFCYEMYFITL-UHFFFAOYSA-N 253.214 -0.356 50 20 CBGD CN(C)C(=O)NNC(=O)c1cnc(C2CC2)nc1N 1328744375 FWNVEGKGRQWPIJ-UHFFFAOYSA-N 264.289 -0.148 50 20 CBGD O=C(CCOCC(F)F)NNC(=O)[C@@H]1CCC(=O)N1 1330107950 KUHHLFFQTOARKI-LURJTMIESA-N 279.243 -0.916 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cnc2n1CCC2 1330643276 DILIHJPXKNVOMY-QMMMGPOBSA-N 299.356 -0.783 50 20 CBGD O=S(=O)(CC1CCOCC1)N1CC[C@@H](B(O)O)C1 1331894202 AYWNIQUSZZKQKB-SNVBAGLBSA-N 277.151 -0.709 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cc[n+]([O-])cc2)n[nH]1 1340599582 IJJYFKRXXAIRCM-UHFFFAOYSA-N 261.241 -0.574 50 20 CBGD Cn1nncc1NNC(=O)c1ccoc1CC(=O)O 1601045050 SNJAADLVIKWHNI-UHFFFAOYSA-N 265.229 -0.208 50 20 CBGD O=C(NNC(=O)[C@H](C(=O)O)C1CCCC1)c1cnn[nH]1 1605814644 MAHPSPJZPYHLIR-MRVPVSSYSA-N 281.272 -0.543 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cc(C(=O)O)ccc1C 1609622490 ZURRTGMDBDSNMF-UHFFFAOYSA-N 279.252 -0.201 50 20 CBGD CC(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1842762771 RWFSBXPUAMKDRZ-VIFPVBQESA-N 260.721 -0.191 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 21050343 HFCBOUOMQJCXIE-AOOOYVTPSA-N 293.323 -0.259 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)CCNS(C)(=O)=O 47666113 YCBRHAMPAOQSGX-UHFFFAOYSA-N 299.352 -0.305 50 20 CBGD O=C(CN1CCC(O)CC1)NNC(=O)c1ccccc1 47865824 LZOMMXPLIZOMSS-UHFFFAOYSA-N 277.324 -0.096 50 20 CBGD CCN1C[C@@H](C(=O)NNC(=O)C2CCC2)CC1=O 264750022 KXTJDKOKTVZUBB-VIFPVBQESA-N 253.302 -0.198 50 20 CBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cnc[nH]2)C[C@@H](C)O1 264852300 NHFSJSPXKIJOOR-AOOOYVTPSA-N 295.343 -0.330 50 20 CBGD COC(=O)NNS(=O)(=O)c1cc(C(=O)O)oc1C 266190319 HCOPBOGWLBUJLB-UHFFFAOYSA-N 278.242 -0.164 50 20 CBGD CCNC(=O)N(C)NC(=O)CCC(=O)N1CCOCC1 272661712 HSMLRFWJVPLWDQ-UHFFFAOYSA-N 286.332 -0.682 50 20 CBGD COc1ccc(NNC(=O)[C@@H](C)NS(C)(=O)=O)nc1 275498183 HDMGEDXEDLERFR-SSDOTTSWSA-N 288.329 -0.529 50 20 CBGD COC(=O)NNC(=O)CCNC(=O)c1ccco1 298308727 PJNFGVRAPNGLQG-UHFFFAOYSA-N 255.230 -0.213 50 20 CBGD COc1cccc(C(=O)NNC(=O)CNC(C)=O)c1O 299276792 LBLKDWCZOOYKMA-UHFFFAOYSA-N 281.268 -0.702 50 20 CBGD CCN1CCO[C@H](C(=O)NNc2nccnc2Cl)C1 376699845 KPLGMIHTRPPYSV-QMMMGPOBSA-N 285.735 0.294 50 20 CBGD CC(=NNC(=O)C(N)=O)c1cccc(N2CCOC2=O)c1 490728584 APJPUSHCFYKWIX-UHFFFAOYSA-N 290.279 -0.031 50 20 CBGD CN(C/C=C\C(=O)NNC(=O)C(C)(C)O)CC(F)(F)F 492926734 PQUGARIDTWWIBQ-PLNGDYQASA-N 297.277 -0.045 50 20 CBGD C[C@@H]1C[C@H]1CNC(=O)c1cc(B(O)O)ccc1F 584929168 JWYDDIHFVHCNFH-SFYZADRCSA-N 251.066 -0.109 50 20 CBGD CCNC(=O)CN(CC)C(=O)c1cc(B(O)O)ccc1F 584932477 MHYPFGKTMHLYII-UHFFFAOYSA-N 296.107 -0.896 50 20 CBGD O=C(NCC1CCOCC1)c1ccc(B(O)O)c(F)c1 584936580 JTKGPFLRMJTYGF-UHFFFAOYSA-N 281.092 -0.338 50 20 CBGD CN(C)C[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 584944190 PRVSUMJWJSSBAS-AWEZNQCLSA-N 290.172 -0.077 50 20 CBGD CCO[C@@H](C)CNC(=O)c1ccc(B(O)O)cc1 584953331 UJSWHNWBYXVXNE-VIFPVBQESA-N 251.091 -0.479 50 20 CBGD CC(C)COC[C@@H](O)CNC(=O)c1cccc(B(O)O)c1 584963263 WYBMPXJEPZNTCO-ZDUSSCGKSA-N 295.144 -0.870 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)[C@@H]1C 584992881 PQZRQTWZYBBWCJ-JGVFFNPUSA-N 251.066 -0.014 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)cc1F)C(=O)NC(C)(C)C 585021894 FDSSRRATRLZTJI-SECBINFHSA-N 296.151 -0.102 50 20 CBGD COCC1(NCc2ccc(B(O)O)cc2)CCOCC1 585043680 SKKUSZBQDBDOMX-UHFFFAOYSA-N 279.145 -0.348 50 20 CBGD Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCB(O)O)cc1 585059695 XEZCJWLABVMJKX-LBPRGKRZSA-N 290.128 -0.386 50 20 CBGD O=C(NCB(O)O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 585059877 DTJMCTZRKFSNAE-NXEZZACHSA-N 277.085 -0.311 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCCN1C 733870778 WUDMWZREUHWGDN-SECBINFHSA-N 251.290 -0.427 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=S)NCCOC 740772857 RKVUHBDFZJXCTI-UHFFFAOYSA-N 290.389 -0.567 50 20 CBGD O=C(NNc1ncccn1)C1(C(=O)NC2CC2)CC1 749401474 KQENZDODHAYKLM-UHFFFAOYSA-N 261.285 -0.022 50 20 CBGD CS(=O)(=O)NNC(=O)CNC(=O)c1cccs1 751278977 FRCNGHDPBDIYIY-UHFFFAOYSA-N 277.327 -0.942 50 20 CBGD CNC(=O)CCCN(C)CC(=O)NNC(=O)C(C)(C)C 753204836 RRPMGMHTXARGJE-UHFFFAOYSA-N 286.376 -0.362 50 20 CBGD C[C@H](C[S@@](C)=O)NC(=O)NNc1ncccn1 753359817 SIMBZTYOWZKNPG-IWEMQMMOSA-N 257.319 -0.130 50 20 CBGD O=C(CO)NNC(=O)c1cc(=O)c2ccccc2o1 753443844 CVGGHSSXRROOPJ-UHFFFAOYSA-N 262.221 -0.454 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H](O)c1cccnc1 768245809 YPWHMALFACLLGI-MRVPVSSYSA-N 253.258 -0.967 50 20 CBGD CCNC(=O)N(C)NC(=O)C1(O)CCSCC1 768409902 MNIRWSCBZQNCHA-UHFFFAOYSA-N 261.347 -0.063 50 20 CBGD COc1cccc([C@H](O)C(=O)NN(C)C(N)=O)c1 778417768 FMJFEVRDLFZKLG-VIFPVBQESA-N 253.258 -0.230 50 20 CBGD O=C(NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)C(=O)N1CCCC1 780451037 KZZYLTZVNYZEPZ-OPRDCNLKSA-N 281.312 -0.819 50 20 CBGD CN1C(=O)C(=O)N(CC(=O)NNc2ccnc(F)c2)C1=O 781363263 MATNLFUJRBNPIY-UHFFFAOYSA-N 295.230 -0.916 50 20 CBGD NC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)C2CC2)C1 786681800 BVBBYGZSBZBGET-BDAKNGLRSA-N 253.302 -0.165 50 20 CBGD COCC(=O)NNC(=O)Nc1cccc(CC(=O)OC)n1 792408251 DGQOVQHWSNPADG-UHFFFAOYSA-N 296.283 -0.404 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cnnn1C 798797654 GLZOFOYIKOXOTJ-QMMMGPOBSA-N 297.315 -0.446 50 20 CBGD O=C(CC1OCCCO1)NNC(=O)N=c1cc[nH]cc1 802036502 YTQNDEINKFKPNT-UHFFFAOYSA-N 280.284 -0.191 50 20 CBGD O=C(CO)NNC(=O)c1ccnc(NC(=O)C2CC2)c1 807195705 LIWFTNPBCIDRKM-UHFFFAOYSA-N 278.268 -0.817 50 20 CBGD O=C(NNC(=O)c1cnc2[nH]c(O)nc2c1)NC1CC1 813423524 GJEDUTMSHYEQKG-UHFFFAOYSA-N 276.256 -0.230 50 20 CBGD C[C@@H](CO)N(C)NC(=O)C(=O)NCc1ccc(F)cc1 823952954 VRZDVTRJKGEZDU-VIFPVBQESA-N 283.303 -0.214 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 825470698 IKWWCYNOZKXRKR-UHFFFAOYSA-N 278.276 -0.499 50 20 CBGD C#CCN(CC(=O)NN(C)C(N)=O)C(=O)OC(C)(C)C 831525900 VLOWKVMOCXLSBI-UHFFFAOYSA-N 284.316 -0.102 50 20 CBGD C=C[C@@](C)(O)C(=O)NNC(=S)NCCSC 831575309 FNPCAJKNZAHVDH-SECBINFHSA-N 263.388 -0.218 50 20 CBGD NCC(F)(F)CNC(=O)NNC(=O)[C@@H]1CCCCO1 841970860 HHWJHORDGBBKLT-ZETCQYMHSA-N 280.275 -0.520 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCN(C)C(=O)C1 843646495 WFILLWKBYYQGKK-IVZWLZJFSA-N 283.328 -0.573 50 20 CBGD COC(=O)C[C@H](C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843652430 JIFVRHAEZBCBJK-CIUDSAMLSA-N 272.301 -0.242 50 20 CBGD COC[C@H]1CCCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858702039 WSPKLVMFVSRBBZ-BDAKNGLRSA-N 284.316 -0.883 50 20 CBGD C[C@H](NNC(=O)CN1CCN(C)CC1)C(F)(F)F 862313685 MPAXPXCKEIKVSR-QMMMGPOBSA-N 268.283 -0.195 50 20 CBGD C[C@@H](NNC(=O)CN1CCN(C)C(=O)C1)C(F)(F)F 862317114 DTHGHZMDOBERQL-SSDOTTSWSA-N 282.266 -0.668 50 20 CBGD COCCC(C)(C)C(=O)NNC(=O)CS(C)(=O)=O 863464607 ITAVTCHODDVKTO-UHFFFAOYSA-N 280.346 -0.759 50 20 CBGD CN1C(=O)CN(CC(=O)NNC(=O)CC2CCCC2)C1=O 863864080 SRLUTJFXNIMLMV-UHFFFAOYSA-N 296.327 -0.392 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccc(OC)o1 869903132 KJNSDHQUHBQPIQ-UHFFFAOYSA-N 272.257 -0.288 50 20 CBGD COCCOCC(=O)NNC(=O)/C=C/C1CCOCC1 869910424 SBJNWXVMSRZCMU-NSCUHMNNSA-N 286.328 -0.220 50 20 CBGD O=C1CN(CC(=O)NNc2cc(F)ccc2F)CCN1 885139686 GOAHCXWBJIABTG-UHFFFAOYSA-N 284.266 -0.160 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1NC(=O)O[C@H]1C 887148124 OWKKWVREDPDHIR-CBAPKCEASA-N 253.258 -0.566 50 20 CBGD CS(=O)(=O)N1CCCC[C@H]1C(=O)NNC(=O)C1CC1 887567927 FHQIHYUZHTXTCR-VIFPVBQESA-N 289.357 -0.642 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCCCC[C@@H]1CO 911947819 UCHMSBQGJXKNIU-CYBMUJFWSA-N 277.129 -0.257 50 20 CBGD Cc1ncc(C(=O)NNC(=O)CN2CCCC2=O)n1C 913729860 BLNXZAKLGKKSQC-UHFFFAOYSA-N 279.300 -0.888 50 20 CBGD C[C@H](OCC1CC1)C(=O)NNC(=O)CN1CCCC1=O 920805647 QXWNXGPTUNQPHV-VIFPVBQESA-N 283.328 -0.429 50 20 CBGD O=C(NC[C@H]1CCCO1)NNC(=O)[C@@H]1CCOC1 921207994 ATTOIPYGOKKFEV-RKDXNWHRSA-N 257.290 -0.468 50 20 CBGD N#CC1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 1118864347 OLJXKGZUFDCPBV-SECBINFHSA-N 279.300 -0.759 50 20 CBGD O=C(CCCn1cccn1)N1CC[C@@H](B(O)O)C1 1118914590 CBLLVNIQHHRXCW-SNVBAGLBSA-N 251.095 -0.261 50 20 CBGD CC(C)C(=O)NNC(=O)[C@@H](C)CN1CCOCC1 1323236636 BFFSVXZGTRBFQK-JTQLQIEISA-N 257.334 -0.242 50 20 CBGD Cn1nccc1CCNC(=O)NNC(=O)c1cn[nH]c1 1329745182 IZGHQVZGBSUDQI-UHFFFAOYSA-N 277.288 -0.670 50 20 CBGD CC(=O)N1CC[C@@H](NC(=O)NNC(=O)CC(F)(F)F)C1 1331049568 NIYUOXAZHCBDMK-SSDOTTSWSA-N 296.249 -0.110 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CCc1cccnc1 1351654029 RCAOGPMLAALTIS-UHFFFAOYSA-N 285.325 -0.794 50 20 CBGD C[C@@H]1CN(C)CC1=NNC(=O)[C@H]1CN2CCC[C@H]2CO1 1549320255 YPUUKEWBLVYLPK-NTZNESFSSA-N 280.372 -0.097 50 20 CBGD CCNC1CCN(CC(=O)NNC(=O)C(C)C)CC1 1577818662 XPSHQWXCFFDEFL-UHFFFAOYSA-N 270.377 -0.136 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@@]23CNC[C@@H]2COC3)n1 1578429932 JVGJYYSZJFGHSN-NOZJJQNGSA-N 292.343 -0.778 50 20 CBGD N[C@@H]1C[C@H]2C[C@@]2(C(=O)NNC(=O)C2CCOCC2)C1 1580405277 USWRONGVQXNZQH-OPQQBVKSSA-N 267.329 -0.312 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(C(=O)O)nc1 1589908763 JCFVIKCRXZAWEJ-UHFFFAOYSA-N 252.230 -0.256 50 20 CBGD O=C(CC1COC1)NNc1ccc(-c2nn[nH]n2)cn1 1592826756 VZLUPPPKXFHRQB-UHFFFAOYSA-N 275.272 -0.259 50 20 CBGD CCC(=O)NNS(=O)(=O)c1ccc(O)c(C(=O)O)c1 1594712669 XVFUFCUWRFITIT-UHFFFAOYSA-N 288.281 -0.190 50 20 CBGD CONC(=O)CNC(=O)NNc1ccc(CC(=O)O)cc1 1599321202 WHFOIGHMAZVFRX-UHFFFAOYSA-N 296.283 -0.383 50 20 CBGD C[C@@H]1C[C@H](C(=O)NN=c2cc[nH]cc2F)O[C@H]1C(=O)O 1599875704 AJJSIDYGKUVJCE-BDODKLCJSA-N 283.259 -0.036 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cn1cc(C(=O)O)cn1 1604834520 LGSXYGLSAGDBGO-VXNVDRBHSA-N 296.283 -0.846 50 20 CBGD O=C(N[C@H](C(=O)O)c1ccccc1)c1ccc(B(O)O)cc1 1605825559 LELSOYKYFMSMPX-ZDUSSCGKSA-N 299.091 -0.078 50 20 CBGD O=C(O)CCS(=O)(=O)NNC(=O)C1CCC1 1610775053 FMMSLQMVBSZSSB-UHFFFAOYSA-N 250.276 -0.788 50 20 CBGD O=C(NNC(=O)[C@@H]1COCCO1)c1ccc(Cl)nc1 48791854 FDINCUWSKJLOJK-QMMMGPOBSA-N 285.687 -0.089 50 20 CBGD C[C@H]1OCC[C@@]1(O)CNS(=O)(=O)CBr 228083383 LEZUGZCKWZLEDU-RNFRBKRXSA-N 288.163 -0.202 50 20 CBGD C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)CN(C)C 263917623 PQFQOQJZXIJJSI-ZANVPECISA-N 293.323 -0.076 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)c1cccc(C)n1 279823955 PSNDRHLWQISOIQ-SECBINFHSA-N 293.327 -0.012 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 490555381 AERYIOOFEWLIRG-SSDOTTSWSA-N 278.330 -0.023 50 20 CBGD COC(=O)NNC(=O)CNC(=O)Cc1ccccc1 490634111 QBVLMXIDTLZRRZ-UHFFFAOYSA-N 265.269 -0.268 50 20 CBGD Cn1c(N)c(C=NNC(=O)OC(C)(C)C)c(=O)n(C)c1=O 493202590 SZIMYYAYOBWTNI-UHFFFAOYSA-N 297.315 -0.475 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CCN1C(=O)OC(C)(C)C 495498167 REXGZAUUULAYRR-SSDOTTSWSA-N 272.305 -0.044 50 20 CBGD CC(C)(C)NC(=O)CNC(=O)c1cccc(B(O)O)c1 584925502 IADUCBLQFZHMIQ-UHFFFAOYSA-N 278.117 -0.989 50 20 CBGD CC[C@@](C)(C#N)NC(=O)c1cc(B(O)O)ccc1F 584937642 WPUSLGAZMNSOBO-LBPRGKRZSA-N 264.065 -0.072 50 20 CBGD CCO[C@H]1COCC[C@@H]1NC(=O)c1cccc(B(O)O)c1 584974659 HYGQDHIABYFGHJ-STQMWFEESA-N 293.128 -0.710 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCOCC12CC2 584986797 BBMSGQLYJXWJDZ-UHFFFAOYSA-N 261.086 -0.629 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@@]12CCOC2 584991802 ANKWUWIACVHXAC-AWEZNQCLSA-N 293.103 -0.099 50 20 CBGD CC(C)(CO)CCNC(=O)c1cc(B(O)O)ccc1F 584996150 YWXGUHVAUMFRDD-UHFFFAOYSA-N 283.108 -0.356 50 20 CBGD CC(C)NC(=O)[C@@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 585000376 LXKZLHGRVXUCJJ-MRVPVSSYSA-N 296.107 -0.852 50 20 CBGD OCCCN1CCC[C@@H](NCc2cccc(B(O)O)c2)C1 585043180 IPJHRPYMJPNJNN-OAHLLOKOSA-N 292.188 -0.697 50 20 CBGD CCCN1CC[C@H](NCc2ccc(B(O)O)o2)C1 585049417 GIJNZRKTSCWJOC-JTQLQIEISA-N 252.123 -0.467 50 20 CBGD CN1CCCC[C@H](CNCc2ccc(B(O)O)o2)C1 585049880 YVTAMWLWNCUHRP-LLVKDONJSA-N 266.150 -0.219 50 20 CBGD CN(C)c1cc(C(=O)NCB(O)O)cc(Cl)n1 585062665 VKFMRXMJJFEIKN-UHFFFAOYSA-N 257.486 -0.457 50 20 CBGD CN1CC[C@@H]1CNS(=O)(=O)CBr 710284152 AFRWXEPKIHOISL-ZCFIWIBFSA-N 257.153 -0.038 50 20 CBGD C[C@H](C(=O)NNc1ncccn1)N1C(=O)CCC1=O 727724741 RUZQTJBMKMXDIE-SSDOTTSWSA-N 263.257 -0.543 50 20 CBGD COCCOCC(C)=NNC(=O)C(=O)NC(C)C 741164037 UYXYGYCMSCNPEF-UHFFFAOYSA-N 259.306 -0.334 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNC(=S)N[C@H](C)C1CC1 751616573 FOPKQCLNOIGZOV-RITPCOANSA-N 273.362 -0.663 50 20 CBGD COCC(=O)NNC(=O)Nc1ccc(OC)nc1 761853633 UWRSUZWXYIDNHC-UHFFFAOYSA-N 254.246 -0.111 50 20 CBGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1 764429737 XBLCBDJWZRMWIR-UHFFFAOYSA-N 295.295 -0.448 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1=COCCO1 771875088 NUFRSWZGCLTNOH-SSDOTTSWSA-N 272.257 -0.636 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(OC)no1 772339972 SFXUHBSVASWXOM-ZCFIWIBFSA-N 285.256 -0.214 50 20 CBGD CC[C@H](CO)NC(=O)NNC(=O)Cc1cccnc1 775735666 AXBIBMBGFFQISK-SNVBAGLBSA-N 266.301 -0.275 50 20 CBGD Cc1nnc(-c2ccc(C(=O)NNC(=O)CO)cc2)o1 777782549 HYHDASBSVGPQRQ-UHFFFAOYSA-N 276.252 -0.202 50 20 CBGD CCCNC(=O)NNC(=O)c1cccn2c(O)nnc12 780915226 QLQAJXGWXQFXPI-UHFFFAOYSA-N 278.272 -0.211 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cc(C(=O)OC)no1 781430723 DXOZHBHOLIWFNK-UHFFFAOYSA-N 270.245 -0.233 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)Cc1ccn(C)n1 782707785 DDKUXTKRJHIZNR-UHFFFAOYSA-N 295.343 -0.585 50 20 CBGD CNC(=O)CCCC(=O)NNC(=O)N=c1cc[nH]cc1 802034479 PNRJSUOYSQKDQP-UHFFFAOYSA-N 279.300 -0.428 50 20 CBGD Cc1cnn(CC(=O)NNC(=O)N2CCN(C)CC2)c1 807383101 KLMCNRWEJRDQRX-UHFFFAOYSA-N 280.332 -0.820 50 20 CBGD CN(C)c1noc(CNC(=O)NNC(=O)C2CCC2)n1 812217709 AASGDIVLKJYDPZ-UHFFFAOYSA-N 282.304 -0.234 50 20 CBGD O=C(CCn1ccnn1)NNc1ncncc1F 817077699 LGEUPCLAHYQIED-UHFFFAOYSA-N 251.225 -0.259 50 20 CBGD CN1CC[C@H](C(=O)NNc2ncncc2F)CC1=O 817079045 FWCLSUJCHAKYQC-ZETCQYMHSA-N 267.264 -0.073 50 20 CBGD C[C@@](C#N)(CC(=O)O)C(=O)NNC(=O)Cc1ccccn1 819848982 WHXIAFCHUULCOI-ZDUSSCGKSA-N 290.279 -0.224 50 20 CBGD CC(C)C(=O)NNS(=O)(=O)c1cnn2c1OCCC2 821127328 GJKSZTNCPMYDHR-UHFFFAOYSA-N 288.329 -0.369 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCCc2nn[nH]c21 823921980 GLDDANJZJKIPKW-YUMQZZPRSA-N 253.306 -0.432 50 20 CBGD CN(C)CC(=O)NNc1cccc(-c2nn[nH]n2)c1 825855588 HYEVJUOJWYIATE-UHFFFAOYSA-N 261.289 -0.129 50 20 CBGD CCOC(=O)C(=O)N1CCN(S(=O)(=O)CCl)CC1 830704239 ORZYBKNRBWYORH-UHFFFAOYSA-N 298.748 -0.780 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1ccc(C#N)o1 842589660 KRNPRMZCEJGQDL-IONNQARKSA-N 299.308 -0.114 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)COCC1CC1 843646392 QBDRGMUXDJJFOX-SCZZXKLOSA-N 256.302 -0.015 50 20 CBGD CCC[C@@H](C(=O)NNC(=O)CC1CC1)S(N)(=O)=O 854666623 ZJCBAYSIOYLRFG-QMMMGPOBSA-N 277.346 -0.609 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CCc2nccn2C1 854921597 MBDGHNZZQQOSMC-QMMMGPOBSA-N 267.358 -0.087 50 20 CBGD O=C(NNC(=O)c1n[nH]c2c1CCC2)c1cc[nH]n1 855359136 GWXZZXXNEGNCSW-UHFFFAOYSA-N 260.257 -0.304 50 20 CBGD CN1N=C(C(=O)NNC(=O)OCC(F)(F)F)CCC1=O 856024676 FQZYJVNFLLHJAZ-UHFFFAOYSA-N 296.205 -0.086 50 20 CBGD CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)c1cn[nH]c1 858170412 JZNFLETVEQVMIJ-HTQZYQBOSA-N 296.331 -0.343 50 20 CBGD Cc1ccoc1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858483659 VSQUFYVNICSTPZ-MRVPVSSYSA-N 280.284 -0.303 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1cn(C2CC2)nn1 861852648 IVYIAYUBSZDXCD-JTQLQIEISA-N 279.300 -0.057 50 20 CBGD CC[C@@H]1CC[C@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)O1 862457021 YQJLYULRFPLFDS-IWSPIJDZSA-N 269.301 -0.630 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cnc3n2CCCC3)N1 862457124 BDTFQFVVNKVDHP-MRVPVSSYSA-N 291.311 -0.741 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)nc1C 862461792 RHEJTWUMIVWAAW-SNVBAGLBSA-N 276.296 -0.262 50 20 CBGD CC1(C)CC(C(=O)NNC(=O)CS(C)(=O)=O)C1 863466495 UIQZEEAXIQNMRI-UHFFFAOYSA-N 262.331 -0.385 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)c1cccc(B(O)O)c1 863870545 IVCVRSRZCNSGCY-UHFFFAOYSA-N 280.089 -0.464 50 20 CBGD CC(C)[C@H](CO)ONC(=O)c1ccc(B(O)O)cc1 863886127 UWOOMGOGLWEXDC-NSHDSACASA-N 267.090 -0.955 50 20 CBGD O=C(N[C@@H]1CCN2CCC[C@@H]2C1)c1cccc(B(O)O)c1 864906625 QRMHSOWKXZVGNG-ZIAGYGMSSA-N 288.156 -0.277 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccc(C)n1C 869912654 NKZZXAZUQPAVNP-UHFFFAOYSA-N 269.301 -0.242 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccn(CCn2cccn2)n1 910144406 HQNXJQVULMDAIP-NSHDSACASA-N 292.343 -0.263 50 20 CBGD CC(=O)NNC(=O)Nc1ccc(OCC(N)=O)cc1 916375890 MBBBXXPZJFZZDG-UHFFFAOYSA-N 266.257 -0.277 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)C(=O)NC1CC1)C1CC1 920054473 QAEODGLYPYRTSN-ZETCQYMHSA-N 268.317 -0.359 50 20 CBGD CC(=O)NNC(=O)CN(C)C(=O)c1cccs1 920430401 MWYUSMXCKPHMOF-UHFFFAOYSA-N 255.299 -0.013 50 20 CBGD CC(C)NC(=S)NNC(=O)CCCS(C)(=O)=O 1116016481 YYFUVYQSCLFZCU-UHFFFAOYSA-N 281.403 -0.285 50 20 CBGD CNC(=O)c1cccc(C(=O)NNC(=O)NC2CC2)n1 1116276529 SFIHFHLEJYNPQQ-UHFFFAOYSA-N 277.284 -0.452 50 20 CBGD Cc1nnc(NNC(=O)[C@@H]2CCO[C@H]2C)nc1O 1116457110 HOKCHLUEYVOPPK-NKWVEPMBSA-N 253.262 -0.246 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@]1(F)CCOC1 1117414686 KXRQBVIBTADQPJ-SNVBAGLBSA-N 256.237 -0.392 50 20 CBGD C=CCCn1cc(C(=O)N2CC[C@H](B(O)O)C2)nn1 1118973484 ANPPVCKGDABZMJ-VIFPVBQESA-N 264.094 -0.457 50 20 CBGD CCNC(=O)NNC(=O)c1ccnc2c1nnn2C 1256639540 VSRGGEJGTCKIPU-UHFFFAOYSA-N 263.261 -0.673 50 20 CBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)Cc1ccncc1 1261548428 PJKCYQLLGMJKMH-ZJUUUORDSA-N 276.296 -0.717 50 20 CBGD Cn1cccc1CNC(=O)NNC(=O)C(=O)NC1CC1 1318841904 OXABFVJQSUWRLF-UHFFFAOYSA-N 279.300 -0.866 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCCC[C@@H]1N(C)C 1318877044 ONJQIDLCAJOWGT-IUCAKERBSA-N 286.332 -0.637 50 20 CBGD O=C1CC2(CCN(CC(=O)NNC(=O)C3CC3)CC2)CN1 1319338983 PVIQBDKNGCEEPI-UHFFFAOYSA-N 294.355 -0.854 50 20 CBGD COC(=O)c1cc(F)ccc1NC(=O)C(=O)NNC(C)=O 1320235292 USNIVVHNOPEENP-UHFFFAOYSA-N 297.242 -0.282 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCO[C@@H](C(C)C)C1 1320574890 ZRYWXYNYDNTZKH-RKDXNWHRSA-N 287.316 -0.307 50 20 CBGD NC(=O)c1ccc(NNC(=O)c2cc(C3CC3)[nH]n2)nn1 1322495714 QIPDRVYATCRGDE-UHFFFAOYSA-N 287.283 -0.067 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CCCCN1Cc1cccnc1 1325300898 WFHIHYPWDXKJDR-LBPRGKRZSA-N 292.339 -0.424 50 20 CBGD COCCCNC(=O)NNC(=O)c1cnc(C)nc1N 1327864315 TWSWPQJEDKPPOP-UHFFFAOYSA-N 282.304 -0.652 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCCN2CCC[C@@H]2C1 1329259443 MDXGSHUDRBRPAZ-CQSZACIVSA-N 288.156 -0.323 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H](C)n1cccc1 1332145603 DSRWZFVDXFCBJJ-JTQLQIEISA-N 269.301 -0.141 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(C(N)=O)c(C)c1 1342591463 MQGCRCJNJWHNDC-UHFFFAOYSA-N 292.295 -0.410 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)NC1CC1 1353548729 DFPAVPSWHJNGDO-SECBINFHSA-N 256.306 -0.800 50 20 CBGD CC1(C)CCCN[C@H]1C(=O)NNC(=O)[C@H]1COCCO1 1576439394 FNHFJJKFWABTBP-ZJUUUORDSA-N 285.344 -0.673 50 20 CBGD COC(=O)CC[C@@H](N)C(=O)NNc1ccn(C)n1 1578810001 UYXUKHFRKMYRLB-SSDOTTSWSA-N 255.278 -0.856 50 20 CBGD O=C(CSCc1ccccn1)NNC(=O)[C@H]1CCN1 1580564918 JGXIIYSZIXIMND-SNVBAGLBSA-N 280.353 -0.176 50 20 CBGD CCN(C(=O)c1ccc(B(O)O)cc1)[C@H](C)C(=O)O 1589706454 VGTUKIPWROGJHX-MRVPVSSYSA-N 265.074 -0.698 50 20 CBGD O=C(CN1C[C@@H](F)C[C@H]1C(=O)O)NNC(=O)C1CC1 1601317858 LSNVRIFKSAXLHN-YUMQZZPRSA-N 273.264 -0.959 50 20 CBGD O=C(Cn1cnnn1)NNc1cccc(F)c1C(=O)O 1601391136 QBSXMYKNKAIVBL-UHFFFAOYSA-N 280.219 -0.346 50 20 CBGD O=C(N[C@@H](C(=O)O)c1ccccc1)c1cccc(B(O)O)c1 1601564635 JWLKIPLUWCIBKT-CYBMUJFWSA-N 299.091 -0.078 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CO[C@@H](CCC(=O)O)C1 1603202667 QIIBWXHXBYGOOR-BBBLOLIVSA-N 274.317 -0.400 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 48949416 YJPSDYLZWTUJTE-MRVPVSSYSA-N 280.284 -0.412 50 20 CBGD COc1ccnc(NNC(=O)N[C@H](C)C[S@](C)=O)n1 273575083 YKYXUNTXXHFUIE-XJZHNMMOSA-N 287.345 -0.122 50 20 CBGD COC(=O)N(C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 495825061 LPLIQOCDBAIDJT-UHFFFAOYSA-N 284.228 -0.514 50 20 CBGD CN(C)C(=O)C(C)(C)NC(=O)c1ccc(B(O)O)c(F)c1 584942700 CVDGOAUQWQWXIB-UHFFFAOYSA-N 296.107 -0.898 50 20 CBGD C[C@H](O)[C@@H]1CCCCN1C(=O)c1cc(B(O)O)ccc1F 584971024 JKBRKUCMKMOQGN-ZANVPECISA-N 295.119 -0.119 50 20 CBGD O=C(NC[C@H](O)C1CCC1)c1cccc(B(O)O)c1 584998290 DWIFFAUFTNGAFE-LBPRGKRZSA-N 263.102 -0.743 50 20 CBGD C[C@@H](CN1CCCC1=O)NCc1ccccc1B(O)O 585018050 GASVACNZEWOYKT-NSHDSACASA-N 276.145 -0.533 50 20 CBGD Cn1cc(CCCNCc2cccc(B(O)O)c2)cn1 585020948 MLVJXGYXTFUIMB-UHFFFAOYSA-N 273.145 -0.178 50 20 CBGD CC(C)(O)CSCCNCc1ccccc1B(O)O 585023410 KYXOSJWLKMIXOW-UHFFFAOYSA-N 283.202 -0.040 50 20 CBGD CCNC(=O)C(C)(C)CNCc1ccc(B(O)O)cc1 585030190 OTWPOJLOOZLBBH-UHFFFAOYSA-N 278.161 -0.382 50 20 CBGD CC[C@](C)(CO)NCc1ccc(B(O)O)cc1F 585032093 BBWXWGAZBZTQLV-GFCCVEGCSA-N 255.098 -0.244 50 20 CBGD OC[C@@H](CNCc1cccc(B(O)O)c1)[C@H]1CCOC1 585039285 PVIALUJPASWYMU-QWHCGFSZSA-N 279.145 -0.899 50 20 CBGD Cc1nccnc1CCNCc1ccccc1B(O)O 585043697 SWLJWDNBGQRWPG-UHFFFAOYSA-N 271.129 -0.203 50 20 CBGD O=C(NCB(O)O)c1cccc(Nc2ncccn2)c1 585061845 JNIAFCDFUUDSBC-UHFFFAOYSA-N 272.073 -0.038 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)C1=NNC(=O)C1 732276704 XTURJWIKNPHICB-UHFFFAOYSA-N 290.279 -0.739 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cc(C#N)c[nH]1 748308870 BLTLRBIPOVWSBS-UHFFFAOYSA-N 258.241 -0.007 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCC1CC1 758038688 GBXDJDNVHIQULR-SSDOTTSWSA-N 277.346 -0.738 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@@H](C)NC(C)=O)nc1 759729821 MZHUKKAHONLRDV-SSDOTTSWSA-N 280.284 -0.164 50 20 CBGD Cn1ncc(C(=O)NNC(=O)C(C)(C)O)c1C(F)F 768243106 DRYLUTKMZUWVSZ-UHFFFAOYSA-N 276.243 -0.110 50 20 CBGD COCCCNC(=O)NNC(=O)[C@](C)(O)C(C)C 771272501 KNDAPHPLFMEKIR-LLVKDONJSA-N 261.322 -0.240 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNc1ccc(C(N)=O)nn1 771393358 ZVOKRQCFFBVLLE-BQBZGAKWSA-N 265.273 -0.556 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C(F)F 787388032 TWYWDHSTRBSRSL-UHFFFAOYSA-N 251.233 -0.296 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H](OC)C1CC1 792082968 CPSDJCLQORPCFF-VIFPVBQESA-N 259.306 -0.222 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=O)c1cccc(C)n1 794084151 NYPZWJYUPCFPIW-LBPRGKRZSA-N 267.285 -0.452 50 20 CBGD COc1cc(C)nc(NNC(=O)c2cnnn2C)n1 798973361 WSJDJBZPIFHUDC-UHFFFAOYSA-N 263.261 -0.321 50 20 CBGD COc1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)on1 802026110 MKMHTCDHOZLXNT-UHFFFAOYSA-N 277.240 -0.033 50 20 CBGD C[C@H](C(=O)NNC(=O)CO)n1ccc2ccccc2c1=O 807195302 BEMJHKHJSVKKTG-SECBINFHSA-N 289.291 -0.298 50 20 CBGD CN1CCN(C(=O)NNC(=O)CCn2cccc2)CC1 807381356 OXVVSWXJWCKZCA-UHFFFAOYSA-N 279.344 -0.134 50 20 CBGD CC(C[C@@H]1CCC(=O)N1)=NNC(=O)CN1CCCC1=O 811635177 ODUURGGNJDSACD-JTQLQIEISA-N 280.328 -0.230 50 20 CBGD CCN1CCN(CC(=O)NCCCSC#N)C(=O)C1=O 819698865 OFYDNMDPOBJZSA-UHFFFAOYSA-N 298.368 -0.602 50 20 CBGD C[C@@](C#N)(CC(=O)O)C(=O)NNC(=O)c1cccnc1 819848936 VMJRQXVCUPIBAP-LBPRGKRZSA-N 276.252 -0.153 50 20 CBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)C(C)(C)C 822245586 VVNSIYAESPHSJU-ZETCQYMHSA-N 279.362 -0.492 50 20 CBGD CNC(=S)N(C)NC(=O)Cc1cc(=O)n(CC(C)C)[nH]1 822547758 PEGMYGVBYWVUPH-UHFFFAOYSA-N 299.400 -0.158 50 20 CBGD CCOCCn1cc(C(=O)NN(CC)CCO)cn1 823897490 DNKFJWFLOIJRMQ-UHFFFAOYSA-N 270.333 -0.121 50 20 CBGD Cc1cc(O)cc(=O)n1CC(=O)NN(C)[C@H](C)CO 823946197 FMDCBMXZINTAAH-SECBINFHSA-N 269.301 -0.794 50 20 CBGD C[C@H](CO)N(C)NC(=O)C1(S(C)(=O)=O)CCCC1 823965520 OEZRZBNLBOXGJO-SECBINFHSA-N 278.374 -0.312 50 20 CBGD COc1cccc(NNC(=O)C2(S(N)(=O)=O)CC2)n1 845928517 NPZGDZLOPZQBBU-UHFFFAOYSA-N 286.313 -0.646 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@@H](C)[C@@](C)(CO)C1 852705452 WWHARHFYFURHGU-ZWNOBZJWSA-N 271.361 -0.260 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=S)NCC1CCC1 855091896 IGDJSDFUCGYWRV-UHFFFAOYSA-N 288.373 -0.020 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCOC3(CCC3)C2)N1 858698393 ZHVACTIMMUPDQI-VIFPVBQESA-N 296.327 -0.739 50 20 CBGD COC1CC(C(=O)NNC(=O)C(=O)N2CCCC2)C1 858935298 HYTVZVSQGBXEJZ-UHFFFAOYSA-N 269.301 -0.819 50 20 CBGD COCCCn1cc(C(=O)NNC(=O)C(C)(C)O)cn1 861205625 HQDZBZGDLDAIOQ-UHFFFAOYSA-N 284.316 -0.549 50 20 CBGD O=C(NC[C@@H]1COCCN1)NNC(=O)c1ccccc1F 861679636 BMTHEBAWWUKHQV-SECBINFHSA-N 296.302 -0.242 50 20 CBGD COC(=O)Cn1cccc1C=NNC(=O)[C@H]1CCC(=O)N1 863148103 SXAQBQVLOZTGCF-SNVBAGLBSA-N 292.295 -0.610 50 20 CBGD C[C@@H]1CC/C(=C/C(=O)NNC(=O)CS(C)(=O)=O)C1 863462217 LLOGDRHFTVUKRJ-WSQKDGNHSA-N 274.342 -0.075 50 20 CBGD CC(C)[C@H](CO)ONC(=O)c1cc(B(O)O)ccc1F 863885528 JTHICRNJZNKJSS-NSHDSACASA-N 285.080 -0.816 50 20 CBGD COC[C@]1(C(=O)O)CCN(S(=O)(=O)CCl)C1 864500423 PMVYZFABFJMALH-QMMMGPOBSA-N 271.722 -0.064 50 20 CBGD CNc1nc(C(=O)NNC(=O)N2CCOCC2)cs1 900427074 SPHSDBZXZLPIQI-UHFFFAOYSA-N 285.329 -0.129 50 20 CBGD O=C(CNC(=O)N1CCCC1)NNC(=O)CC1CC1 908448217 IRKZHKJQLALEFV-UHFFFAOYSA-N 268.317 -0.261 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 910171227 VFZAZJQRUQJUIL-ZJUUUORDSA-N 271.361 -0.023 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@H]1C(F)(F)F 912095296 ZPFSPASMVUVQSO-JTQLQIEISA-N 289.018 -0.273 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CN(C)CC(N)=O)cc1 919674251 MUZJWWKWNJFPSK-UHFFFAOYSA-N 278.312 -0.827 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@H]2CC[C@H]1[C@H](O)C2 925065904 VFYDBYJYEBYJOE-TVYUQYBPSA-N 275.113 -0.648 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2[nH]nnc2C)n1 1116759475 ALCSZSDVNLDQPJ-UHFFFAOYSA-N 277.288 -0.612 50 20 CBGD CN(NC(=O)CCCCCS(N)(=O)=O)C1CC1 1118320661 BJXKSHOMBYRDGB-UHFFFAOYSA-N 263.363 -0.039 50 20 CBGD COC(=O)c1cccc(C(=O)N2CC[C@@H](B(O)O)C2)n1 1118975912 RYNAVCQRWKOJLH-MRVPVSSYSA-N 278.073 -0.443 50 20 CBGD Cc1nn(C)c(C)c1C(=O)C(=O)NNC(=O)C1CC1 1317738585 VDTHLFJIXURVKB-UHFFFAOYSA-N 264.285 -0.223 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1CCC(=O)N1C 1320050545 WCEBKKMXSFDUNX-ZETCQYMHSA-N 258.347 -0.489 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(CO)cc1 1321403112 CRNBCIGYUVOCNL-UHFFFAOYSA-N 279.296 -0.536 50 20 CBGD O=C1CC[C@H](C(=O)NNc2ncncc2F)CN1 1325041814 LIYQHIHHLNANGX-LURJTMIESA-N 253.237 -0.415 50 20 CBGD COCCONC(=O)NNC(=O)c1cccc(F)n1 1327897609 UFKLDIYAJIMFAL-UHFFFAOYSA-N 272.236 -0.257 50 20 CBGD COC(=O)COCC(=O)NNC(=S)NC(C)C 1328614139 ALQQLYKNIJAVNJ-UHFFFAOYSA-N 263.319 -0.920 50 20 CBGD CN(C)C(=O)NNC(=O)c1cncc(N2CCCC2)n1 1330306288 ZBFVGKKNJIBZPP-UHFFFAOYSA-N 278.316 -0.007 50 20 CBGD NC(=O)CC1CCN(C(=O)NNC(=O)c2cn[nH]c2)CC1 1334931627 UYEWZIGFTKQNPW-UHFFFAOYSA-N 294.315 -0.649 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)NCCCn1cncn1 1336708778 NKBSGNBGHISFDT-UHFFFAOYSA-N 294.237 -0.049 50 20 CBGD Cn1nccc1COCC(=O)NNC(=O)Cc1cc[nH]n1 1340322173 QYRHPBWCMFPFTO-UHFFFAOYSA-N 292.299 -0.950 50 20 CBGD Cc1noc(CCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n1 1346068227 KFHLLCUMFAHDLS-APPZFPTMSA-N 282.300 -0.117 50 20 CBGD CNC(=O)NNC(=O)c1ccc(CN2CCOCC2)o1 1350577859 AGPTUYNHEJOKDQ-UHFFFAOYSA-N 282.300 -0.314 50 20 CBGD C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](B(O)O)C1 1351730317 WIHVTEHASLFPOG-IUCAKERBSA-N 275.139 -0.986 50 20 CBGD COc1ccc(NNC(=O)[C@@H]2CN3CCN2C[C@@H]3C)nc1 1521364569 ISYOZUAXYGNQHI-JQWIXIFHSA-N 291.355 -0.078 50 20 CBGD O=C(NN=Cc1cncnc1)[C@H]1CN2CCC[C@H]2CO1 1549321391 SEPWXBGKPZRJHD-NWDGAFQWSA-N 275.312 -0.210 50 20 CBGD COCC[C@@H](N)C(=O)NNC(=O)c1ccc(OC)cc1 1573978787 YQUOLGNJLRCLOQ-LLVKDONJSA-N 281.312 -0.180 50 20 CBGD CN(NC(=O)c1cnnn1C1CNC1)c1ccccn1 1578506796 YGZHXPZKGVIDGA-UHFFFAOYSA-N 273.300 -0.401 50 20 CBGD CNC[C@@H](O)[C@H](C)C(=O)NNC(=O)c1ccccc1F 1578646219 QNTJXGXZXUFFGI-GZMMTYOYSA-N 283.303 -0.197 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCC[C@H]1C(=O)O 1588799627 WQVNANKQXNHJAI-QMMMGPOBSA-N 257.290 -0.661 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cscc1-c1nn[nH]n1 1589882690 QVGJQUHPJFGCGF-ZCFIWIBFSA-N 282.329 -0.114 50 20 CBGD COCCOCC(=O)NNC(=O)[C@]1(C(=O)O)CC1(C)C 1594018631 WQXMKZFUQVCSMS-LBPRGKRZSA-N 288.300 -0.702 50 20 CBGD O=C(NCC1CC1)NNC(=O)c1cnc(C(=O)O)cn1 1594745578 GNPWSSPNHWJKEB-UHFFFAOYSA-N 279.256 -0.471 50 20 CBGD O=C(O)CC[C@H]1C[C@@H](C(=O)NNC(=O)NC2CC2)CO1 1595005496 NUNAPUGZEULMHX-APPZFPTMSA-N 285.300 -0.251 50 20 CBGD Cc1cccc(F)c1NC(=O)C(=O)NNC(=O)C(=O)O 1600535940 PKLHQIZUAVCZFK-UHFFFAOYSA-N 283.215 -0.695 50 20 CBGD Cc1nnc(NNC(=O)c2ccnc(C(=O)O)c2)nc1O 1600798611 OKBXACMGJNJTMD-UHFFFAOYSA-N 290.239 -0.264 50 20 CBGD O=C(Cn1ncnn1)NNc1cccc(F)c1C(=O)O 1601391889 UYBXISMGLVJQJJ-UHFFFAOYSA-N 280.219 -0.346 50 20 CBGD CC(C)(O)[C@@H](O)C(=O)NNc1cccc(-c2nn[nH]n2)c1 1603166114 KEMXKNCPAVOULB-VIFPVBQESA-N 292.299 -0.558 50 20 CBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C(=O)O 1609758461 PKTJPOKDOIXXMB-UHFFFAOYSA-N 289.288 -0.477 50 20 CBGD CN1CCN(CCNS(=O)(=O)CCl)CC1 82512432 WJKMMXQOQCFFGT-UHFFFAOYSA-N 255.771 -0.651 50 20 CBGD COC(=O)c1ccc(Br)c(B(O)O)c1 238379548 DISRQTOWJXBYLZ-UHFFFAOYSA-N 258.864 -0.085 50 20 CBGD C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)C(C)(C)O 276328643 XTVWCVJWNWHMLT-ZETCQYMHSA-N 273.333 -0.545 50 20 CBGD CC1CCN(C(=O)C(=O)NNC(=O)C(C)(C)O)CC1 277975319 NSKQZFPIIOQVMK-UHFFFAOYSA-N 271.317 -0.837 50 20 CBGD COCCN(C)NC(=O)CNC(=O)c1cccc(O)c1 293717842 VIQJNONMJNAJED-UHFFFAOYSA-N 281.312 -0.269 50 20 CBGD CCC[C@H](NS(=O)(=O)CBr)C(N)=O 308130379 DJVRUFYNWLXUNZ-YFKPBYRVSA-N 273.152 -0.088 50 20 CBGD CC[C@H]1CN(C(=O)c2cccc(B(O)O)c2)CCO1 584926818 CJXPEWAGWKQEGF-LBPRGKRZSA-N 263.102 -0.383 50 20 CBGD CN(C)[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584943769 NEUBBGSTMUQGSK-SNVBAGLBSA-N 280.108 -0.718 50 20 CBGD C[C@@H](O)[C@H]1CCCCN1C(=O)c1cc(B(O)O)ccc1F 584971021 JKBRKUCMKMOQGN-NOZJJQNGSA-N 295.119 -0.119 50 20 CBGD CC[C@@H]1CN(C)CCCN1C(=O)c1cccc(B(O)O)c1 584982353 FOXDPVVZOHFTOY-CQSZACIVSA-N 290.172 -0.077 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@H]2CCOC[C@H]2C1 585004511 GMCPDQGVXDALDZ-VXGBXAGGSA-N 275.113 -0.525 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@H]2COCC[C@H]2C1 585004979 UADKVMZOPIUHMY-UWVGGRQHSA-N 293.103 -0.386 50 20 CBGD C[C@@H]1CN(CCNCc2ccc(B(O)O)cc2F)CCO1 585022637 UJUAYODRIPEHCC-LLVKDONJSA-N 296.151 -0.684 50 20 CBGD CNC(=O)[C@@H]1CCCC[C@H]1NCc1ccccc1B(O)O 585029034 BFMQIKDHJFTUEC-TZMCWYRMSA-N 290.172 -0.239 50 20 CBGD OB(O)c1ccc(CNC[C@@H](O)c2cccnc2)o1 585030264 QHSOHLPVSIVXQO-LLVKDONJSA-N 262.074 -0.822 50 20 CBGD C[C@@H]1COCCN1CCNCc1ccc(B(O)O)cc1F 585032374 GGENEIGUFAXGPP-LLVKDONJSA-N 296.151 -0.684 50 20 CBGD CC[C@H](C)[C@H](NCc1cccc(B(O)O)c1)C(=O)N(C)C 585039497 VYJAOSOYALSWAD-FZMZJTMJSA-N 292.188 -0.041 50 20 CBGD CCn1nncc1CNCc1ccccc1B(O)O 585050144 SKAQAFNVVLXTNQ-UHFFFAOYSA-N 260.106 -0.732 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1CCCOC1 727737216 RHZMMJULXPDPTM-SECBINFHSA-N 257.290 -0.514 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H](C)Cn1cccn1 732201959 RREZGZAZPQCBGO-ZJUUUORDSA-N 267.333 -0.193 50 20 CBGD O=C(O)NCCC(=O)NNC(=O)Cc1cccnc1 738657901 RHKDLEQWXBNUIG-UHFFFAOYSA-N 266.257 -0.571 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@H]2CCC(=O)N2)nc1 759722119 YVDXXRFOIPPXNJ-MRVPVSSYSA-N 278.268 -0.410 50 20 CBGD CC(C)C(=O)NNC(=O)Nc1ccn(CC(=O)N(C)C)n1 782568353 XDFXVAAQGUFAQH-UHFFFAOYSA-N 296.331 -0.220 50 20 CBGD CO[C@@](C)(C(=O)NNC(=O)Cc1cc[nH]n1)C1CC1 812502553 YHZULCGJIPCRML-GFCCVEGCSA-N 266.301 -0.085 50 20 CBGD COCCCNC(=O)NNC(=O)C[C@H]1CCC(=O)N1C 823809764 BKJYNCXHUKLSLL-SECBINFHSA-N 286.332 -0.636 50 20 CBGD CCN(CCO)NC(=O)c1cc(C(N)=O)cs1 823853060 YSMHRWQPTSGZII-UHFFFAOYSA-N 257.315 -0.194 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCCc2nn[nH]c21 823921974 GLDDANJZJKIPKW-HTQZYQBOSA-N 253.306 -0.432 50 20 CBGD C=C(C)CONC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 845591942 BGKSKWDOESJICK-JTQLQIEISA-N 277.346 -0.125 50 20 CBGD CC(C)C(=O)NNC(=O)C(=O)Nc1cccc2nonc12 847503014 FQNCGTAXBZVXKB-UHFFFAOYSA-N 291.267 -0.035 50 20 CBGD O=C(C[C@H]1CC(=O)N1)NNC(=O)c1ccccc1F 854180556 MXTGDFGTRIGTKP-SSDOTTSWSA-N 265.244 -0.135 50 20 CBGD CC(C)(C)n1nnc(CC(=O)NNC(=O)c2ccc[nH]2)n1 854278076 OEWKGHIAIHZIFF-UHFFFAOYSA-N 291.315 -0.240 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CCc2c[nH]nc2C1 854924116 DMMZINHQXFPWJO-ZETCQYMHSA-N 267.358 -0.018 50 20 CBGD CCOC(=O)N[C@H](C(=O)NNC(=O)c1cc[nH]n1)C(C)C 855359206 JSEMIIHEMCRULT-VIFPVBQESA-N 297.315 -0.059 50 20 CBGD C[C@@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CCC1 858323896 KHARXCFDQHKWND-APPZFPTMSA-N 268.317 -0.216 50 20 CBGD C[C@H](COCC1CC1)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858588648 LOELKLAWKFBGPO-SCZZXKLOSA-N 298.343 -0.590 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2C[C@H]2C2CCC2)N1 862461216 OHHCKDAWVKQXRP-AEJSXWLSSA-N 265.313 -0.151 50 20 CBGD COCc1csc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862463466 FEJJPTHLOWYBCA-MRVPVSSYSA-N 297.336 -0.066 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1CCCCS1 863464254 AJYKOBBUVLPOQF-ZETCQYMHSA-N 280.371 -0.536 50 20 CBGD CC[C@@](C)(CC(=O)OC)NC(=O)c1cccc(B(O)O)c1 863877479 YLYWGNZISBBIQB-AWEZNQCLSA-N 293.128 -0.172 50 20 CBGD O=[N+]([O-])c1cnn(CCNCc2ccccc2B(O)O)c1 863888033 DIGADSRBPOKZKD-UHFFFAOYSA-N 290.088 -0.739 50 20 CBGD O=C(CN1C[C@H]2CC[C@H]1[C@@H](O)C2)NNC(=O)C1CC1 887042164 PURKBSIKSRUMIN-LSJOCFKGSA-N 267.329 -0.611 50 20 CBGD COCCN(C)NC(=O)c1nc(OC)cc(OC)n1 908116329 XTHKOEJEPRPPPX-UHFFFAOYSA-N 270.289 -0.283 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cccc2c1NC(=O)CO2 910141797 ZOBJGLALCXTMQK-MRVPVSSYSA-N 279.296 -0.025 50 20 CBGD CC1=C(C)C(=O)N(CCC(=O)NN(C)[C@H](C)CO)C1=O 911444796 KERDTHXJGJPQBM-MRVPVSSYSA-N 283.328 -0.575 50 20 CBGD O=C1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H](C2CC2)C1 912178955 IFNKACKKWZMCCJ-AWEZNQCLSA-N 287.124 -0.050 50 20 CBGD CNC(=O)NNC(=O)CCCS(=O)(=O)N1CCCC1 919878003 YYWOGYQQWUVSQJ-UHFFFAOYSA-N 292.361 -0.848 50 20 CBGD CCN(CC)C[C@@H](C)NC(=O)NNC(=O)C(=O)NC1CC1 921122167 SBEMOUCPLDCBLS-SECBINFHSA-N 299.375 -0.674 50 20 CBGD CN(C)C1(CNC(=O)NNC(=O)C(=O)N2CCCC2)CC1 923010298 YONOZZIQYMGJPT-UHFFFAOYSA-N 297.359 -0.967 50 20 CBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)CCN1C 1116168414 OCNMRUZNSBBZSM-PSASIEDQSA-N 297.359 -0.922 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1ccn(C)n1 1118236722 IMCSRUDDAASUBZ-YUMQZZPRSA-N 288.329 -0.845 50 20 CBGD O=C(/C=C\c1ccc[nH]1)NNC(=O)[C@H]1CCC(=O)N1 1118884617 LBYFWSYLYCRQAE-AZVKUDOFSA-N 262.269 -0.546 50 20 CBGD COCCOCC(=O)NNC(=O)Cc1cncs1 1119045562 PRKKLEWKKTZUDC-UHFFFAOYSA-N 273.314 -0.504 50 20 CBGD CN1C[C@@H](NC(=O)/C(C#N)=C/c2cnn(C)c2)CC1=O 1123990326 LXSIUMBIQLYXSW-LFJXOHPOSA-N 273.296 -0.326 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNC(=O)NCc1ccco1 1262604693 AHXFYOKZUTXULQ-NSHDSACASA-N 296.327 -0.169 50 20 CBGD C=CCNC(=S)NNC(=O)C1CCN(C(C)=O)CC1 1317703892 DQYVMVSKVYGLEX-UHFFFAOYSA-N 284.385 -0.074 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H](OC)c1ccccc1 1318941205 GCQMOYQQTPERQA-JTQLQIEISA-N 295.295 -0.123 50 20 CBGD NS(=O)(=O)CC1CCN(C(=O)CCl)CC1 1319682717 VOKMJLBKNIPLPH-UHFFFAOYSA-N 254.739 -0.248 50 20 CBGD CCC(=O)N1CC[C@@H](C(=O)NNC(=O)Cc2cc[nH]n2)C1 1320114308 WNKOSWRVJYUJJD-SECBINFHSA-N 293.327 -0.642 50 20 CBGD O=S(=O)(CBr)NCc1nnc2n1CCC2 1322539760 IOODIPMMIXLMRF-UHFFFAOYSA-N 295.162 -0.004 50 20 CBGD CC(C)(O)CN1CCC(=NNC(=O)CCO)CC1 1324883180 MRAWVHXKGYISEF-UHFFFAOYSA-N 257.334 -0.292 50 20 CBGD COCCCOCC(=O)NNC(=S)NC(C)C 1324903892 GBMMNNCLGBGBGK-UHFFFAOYSA-N 263.363 -0.057 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc[n+]([O-])c1 1326428541 ZJSDSZPGUFAWDH-WCBMZHEXSA-N 265.269 -0.494 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccn1 1328690024 TURJCPRPFNCYAN-WPRPVWTQSA-N 291.311 -0.248 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=O)Cc1cccnc1 1330808785 PUUPLNZFODBOJN-SNVBAGLBSA-N 267.285 -0.567 50 20 CBGD O=C(C[C@@H]1COC(=O)C1)NNC(=O)c1ccc[nH]1 1333397414 FHMICWOEBZMHEN-ZETCQYMHSA-N 251.242 -0.271 50 20 CBGD COCc1cncc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 1351716420 NCWCEARARCPVDD-SNVBAGLBSA-N 292.295 -0.732 50 20 CBGD COc1ccc(NNC(=O)[C@@H]2CN3CCN2C[C@H]3C)nc1 1521364570 ISYOZUAXYGNQHI-PWSUYJOCSA-N 291.355 -0.078 50 20 CBGD Cc1cccc(NC(=S)NNC(=O)C2(O)CNC2)c1C 1574165097 BXBOITWCDRDXIB-UHFFFAOYSA-N 294.380 -0.045 50 20 CBGD N[C@@H]1CCCC[C@H]1C(=O)NNC(=O)CN1CCCC1=O 1580177763 VSZUTHIFFGSCSQ-NXEZZACHSA-N 282.344 -0.726 50 20 CBGD O=C(NC1(C(=O)O)CCCC1)c1cc(B(O)O)ccc1F 1594719937 SCAMTNLHQVWKCE-UHFFFAOYSA-N 295.075 -0.367 50 20 CBGD O=C(NNC(=O)c1ncon1)N[C@H]1CC[C@@H](C(=O)O)C1 1594780183 MRGXJCWXFFTSPW-RITPCOANSA-N 283.244 -0.733 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@H]1CCCC[C@H]1C(=O)O 1601553330 CKSQJRMBJQAVMB-VHSXEESVSA-N 299.327 -0.050 50 20 CBGD Cc1cccc2nc(CNC(=O)NNC(=O)C(=O)O)cn12 1607868524 MAVBHMCZDOESOU-UHFFFAOYSA-N 291.267 -0.442 50 20 CBGD CC[C@@H](C)[C@@H](CNC(=O)NNC(=O)C(=O)O)OC 1609898605 HIDFPRLNAORUCC-RNFRBKRXSA-N 261.278 -0.538 50 20 CBGD COC(=O)C(=O)NN=Cc1cc(C(=O)O)c(C)n1C 1610149585 JZDCVRKTVSGURX-UHFFFAOYSA-N 267.241 -0.345 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1ccccc1)S(C)(=O)=O 46897201 LYXJWGGQZNLYKP-QMMMGPOBSA-N 270.310 -0.119 50 20 CBGD Cc1c(F)cccc1NC(=O)C(=O)NNC(=O)CN(C)C 126494840 NAZPYBKUGWFEBZ-UHFFFAOYSA-N 296.302 -0.218 50 20 CBGD COC(=O)CCCNC(=O)NNC(=O)Cc1cccnc1 264137386 XGRAKOUAEUJSEQ-UHFFFAOYSA-N 294.311 -0.092 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2CSCN2)n1 269071952 UJKMMMGQCFBYOQ-ZETCQYMHSA-N 269.330 -0.101 50 20 CBGD CO[C@H](C)C(=O)NNC(=S)NCCSC 271379356 HHNGMTRKNYEZPG-ZCFIWIBFSA-N 251.377 -0.120 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CN1CCc2ccccc21 276265008 NVAOKDJJKATTFP-UHFFFAOYSA-N 277.324 -0.033 50 20 CBGD C[C@H]1CN(S(=O)(=O)CBr)C[C@H]1O 306407004 WTOPVULAOQUFLF-NTSWFWBYSA-N 258.137 -0.019 50 20 CBGD C[C@@H]1CCN(CC(=O)Nc2cccc(B(O)O)c2)C1 584910508 BUCAEJDPXABADE-SNVBAGLBSA-N 262.118 -0.353 50 20 CBGD CC(C)[C@H](O)CC(=O)Nc1cccc(B(O)O)c1 584913606 ZQFJULUKQZGBJO-LLVKDONJSA-N 251.091 -0.288 50 20 CBGD C[C@H]1CCN(CCNC(=O)c2cccc(B(O)O)c2)C1 584956062 WVHDCARQUAJQMD-NSHDSACASA-N 276.145 -0.562 50 20 CBGD CCN1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@H](C)C1 584988016 AYGPEULEFAZVSA-SNVBAGLBSA-N 294.135 -0.328 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@H](CF)C1 585002056 LHDWGMLKRIMUCG-LLVKDONJSA-N 267.065 -0.823 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)c2cc(B(O)O)ccc2F)CC[C@@H]1O 585007332 WWXRVRGTCCSQBR-DVYJOKAKSA-N 295.119 -0.215 50 20 CBGD C[C@@H](CCn1cncn1)NCc1ccc(B(O)O)o1 585018518 XHVZWZHSPPCWEG-VIFPVBQESA-N 264.094 -0.881 50 20 CBGD C[C@@H]1CN(C)CC[C@@H]1NCc1ccc(B(O)O)cc1 585022436 NYYXSNNKMWMZMZ-RISCZKNCSA-N 262.162 -0.204 50 20 CBGD O=C1[C@H](NCc2ccccc2B(O)O)CCN1C1CC1 585038537 HMAFPQBEVGYCIH-CYBMUJFWSA-N 274.129 -0.781 50 20 CBGD Cc1cc(C)n2nc(C)c(C(=O)NCB(O)O)c2n1 585055510 DCMLOTUSCIRNRE-UHFFFAOYSA-N 262.078 -0.604 50 20 CBGD N#Cc1ccc(CS(=O)(=O)N2CC[C@H](B(O)O)C2)cc1 585058884 SKHRMUGIPNSCCT-LBPRGKRZSA-N 294.141 -0.063 50 20 CBGD O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCB(O)O 585061239 SWFPLFHEGZXIBI-UHFFFAOYSA-N 281.077 -0.085 50 20 CBGD O=C(NCB(O)O)c1ccc([N+](=O)[O-])c(Cl)c1 585063350 XGZWUHABCXGYIW-UHFFFAOYSA-N 258.426 -0.010 50 20 CBGD COCCOCCNC(=O)NNC(=O)Cc1cccnc1 728950584 UNRYERCCDMKYOT-UHFFFAOYSA-N 296.327 -0.383 50 20 CBGD O=C(CCC1CC1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 734316731 TYSJEGYAGHXPHM-SECBINFHSA-N 274.342 -0.241 50 20 CBGD CCN(CC(=O)O)[C@H](C)C(=O)NNC(=O)CC(C)C 737076241 XHWCMUHNBJJCEL-SECBINFHSA-N 273.333 -0.025 50 20 CBGD O=C(CC[C@@H]1CCOC1)NNC(=O)N1CCOCC1 751362310 BYGWQZOOTCKLKM-SNVBAGLBSA-N 271.317 -0.124 50 20 CBGD NC(=O)C(=O)NN=Cc1cnn(-c2ccccc2)c1 751381384 WLFSTXBUAONUPW-UHFFFAOYSA-N 257.253 -0.192 50 20 CBGD O=C(CO)NNC(=O)c1ncccc1C(F)(F)F 753444275 IHVKBSGTIPGXCX-UHFFFAOYSA-N 263.175 -0.146 50 20 CBGD CCC(CC)(NCC(=O)NNC(=O)C1CC1)C(=O)OC 754924210 OCVFEQVSNLSTEA-UHFFFAOYSA-N 285.344 -0.135 50 20 CBGD O=C(CO)NNC(=O)Nc1nc2c(s1)CCC2 755475460 IODNPPJFPMDJOE-UHFFFAOYSA-N 256.287 -0.223 50 20 CBGD NC(=O)[C@H]1CC[C@H](CNC(=O)NNc2ccc(F)cn2)O1 759777811 XCLRSMGFAHQNLB-RKDXNWHRSA-N 297.290 -0.120 50 20 CBGD CC(C)(C)C(=O)NNC(=O)[C@@H]1CN2CCCN1CC2 763892604 ZRDRPVAATOTXER-JTQLQIEISA-N 268.361 -0.430 50 20 CBGD CC(C)NC(=O)NNC(=O)CS(=O)(=O)C(C)(C)C 767360506 JBZYPDWOTNBDOI-UHFFFAOYSA-N 279.362 -0.062 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1CCCCO1 772222753 VZTPUZAKHOXDKZ-VIFPVBQESA-N 257.290 -0.372 50 20 CBGD O=C(NNc1ccccn1)C1=NN(CCO)C(=O)CC1 777471555 PGNKQGRXNVAATF-UHFFFAOYSA-N 277.284 -0.505 50 20 CBGD CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)NNC(=O)C1CC1 794576156 HFNKCNZJWQLMKB-NXEZZACHSA-N 282.344 -0.952 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cc(O)ccc1[N+](=O)[O-] 803159760 QSUFXAVIAULJAX-UHFFFAOYSA-N 283.240 -0.168 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCC1CC1 812500371 VTYDUDPKNZTRGZ-QMMMGPOBSA-N 291.373 -0.348 50 20 CBGD CN1CC[C@@H](CNS(=O)(=O)CCl)CC1=O 819895948 WDVKEYZBQLRGQY-SSDOTTSWSA-N 254.739 -0.030 50 20 CBGD COC(OC)C(=O)NNC(=O)Cc1cn2ccccc2n1 820521138 SMIWZMOTEAIZNY-UHFFFAOYSA-N 292.295 -0.357 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cnc2c(c1)nnn2C 823939798 PMYZXQCYGXLKSC-ZETCQYMHSA-N 264.289 -0.679 50 20 CBGD CC(C)(NC(=O)O)C(=O)NNC(=O)Cc1ccncc1 824025339 OHJJXASGAANDLA-UHFFFAOYSA-N 280.284 -0.182 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H](C(=O)O)C1 826135106 XVPYHKGCGZNXFT-VIFPVBQESA-N 285.344 -0.024 50 20 CBGD COC(=O)[C@H]1CCN(CC(=O)NNC(=O)C(C)C)[C@H]1C 829146238 JBNFHBSDZBCYCI-UWVGGRQHSA-N 285.344 -0.327 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)nn1C 843645355 MSYNURMTRNJMRZ-IUCAKERBSA-N 266.301 -0.085 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843655701 WFBGAQJFUXCUGP-HLTSFMKQSA-N 292.357 -0.761 50 20 CBGD CO[C@@H](CC(=O)NNC(=O)CN(C)C)C(F)(F)F 846633175 IMVQYOVXLARKEJ-LURJTMIESA-N 271.239 -0.337 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H](NC(=O)OC)C(C)C 854923828 JZYJHVALJJJPRI-ZETCQYMHSA-N 276.362 -0.166 50 20 CBGD O=C(NCC1CC1)C(=O)NNC(=S)NCC1CCC1 855089336 MVNFNOXSFSYNRA-UHFFFAOYSA-N 284.385 -0.192 50 20 CBGD CC/C=C/CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858511382 YMUQAYOXTUSQSW-RTMURIBGSA-N 254.290 -0.438 50 20 CBGD CCn1cc(C(=O)NNC(=O)C(=O)N2CCCC2)c(C)n1 858936238 WCMBFACBVMRVIH-UHFFFAOYSA-N 293.327 -0.405 50 20 CBGD Cc1nc(C)c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 862450104 OCMRPAMWALVMJI-SSDOTTSWSA-N 282.325 -0.200 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)N1 863203817 JECIJEPWRCEFEW-AATLWQCWSA-N 296.396 -0.051 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CC1)OCCO2 863869727 RHOONAQKOSKUSG-UHFFFAOYSA-N 291.112 -0.655 50 20 CBGD O=C(NO[C@H]1CCCCO1)c1cccc(B(O)O)c1 863872317 QTNAYVMAYHEBKI-NSHDSACASA-N 265.074 -0.446 50 20 CBGD CCCN(CC(=O)OCC)C(=O)c1cccc(B(O)O)c1 863873041 UIGPDYIFRALKOX-UHFFFAOYSA-N 293.128 -0.218 50 20 CBGD CCNC(=O)NNC(=O)/C=C1\SCC(=O)N1C 874193855 PULBOQPZUOIYBQ-YWEYNIOJSA-N 258.303 -0.617 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@@H]2C=CCC2)N1 883738246 UJEIRACEJGZJLV-RKDXNWHRSA-N 266.301 -0.438 50 20 CBGD C[C@H](CCNCc1cccc(B(O)O)c1)N(C)C 895290586 NAHJAHDUHAYZNE-LLVKDONJSA-N 250.151 -0.204 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CC(N2CCOCC2)C1 911646264 VNHCKDLGDHYJJU-KHPPLWFESA-N 265.313 -0.027 50 20 CBGD CCCN1CCC[C@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 912978693 VQHAASWMLIJUKD-QWRGUYRKSA-N 296.371 -0.466 50 20 CBGD O=C(NN=Cc1cc2c(cc1O)OCO2)C(=O)NC1CC1 920372984 LSJZJWXCSTUSCD-UHFFFAOYSA-N 291.263 -0.150 50 20 CBGD CN1CC[C@@H]1CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 925405665 YUDGJTBBLOEQHV-MWLCHTKSSA-N 290.389 -0.929 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@H](C)CS(C)(=O)=O 1116237998 VGUKFZYPJKANJL-SSDOTTSWSA-N 265.335 -0.594 50 20 CBGD Cn1ccnc(NNC(=O)CCCCc2cnn[nH]2)c1=O 1116639501 ZAULDLPCNBZJLT-UHFFFAOYSA-N 291.315 -0.246 50 20 CBGD N#Cc1ncn(CC(=O)NNC(=O)CC(F)(F)F)n1 1118773502 MMEHAWYTTDUDNJ-UHFFFAOYSA-N 276.178 -0.750 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1318050572 FSLQIHMHRPGDIP-UHFFFAOYSA-N 284.297 -0.697 50 20 CBGD CCCn1nc(C)c(C=NNC(=O)C(N)=O)c1C 1319705197 GDJAOBJVLSGSTK-UHFFFAOYSA-N 251.290 -0.155 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCO[C@@H](C)C1 1319972035 FBKSLCVYXSHYLD-NKWVEPMBSA-N 259.262 -0.943 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1cn(C)nc1CC 1320231819 CZOAQTMXAZYIAX-UHFFFAOYSA-N 297.315 -0.895 50 20 CBGD CC(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O 1324295775 XKBPEPZUBUOQJO-MRVPVSSYSA-N 289.332 -0.182 50 20 CBGD Cc1ccn(CC(=O)NNc2cnnn2C)c(=O)c1 1325023262 LYJAUXPSZRRZQM-UHFFFAOYSA-N 262.273 -0.571 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)[C@@H]3CCC(=O)C3)nc21 1326655231 XUKRPJNQSUCSEI-ZCFIWIBFSA-N 290.283 -0.119 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cnnc(O)c1 1328368808 DUCCBDJVNAFTDQ-UHFFFAOYSA-N 298.299 -0.268 50 20 CBGD CCn1ncc(C)c1NC(=O)NNC(=O)CCO 1330791551 VPJKKTLGXJGCOP-UHFFFAOYSA-N 255.278 -0.253 50 20 CBGD C[C@H](C(=O)NNC(=O)Cc1ccncc1)[C@@H]1CCC(=O)N1 1331666856 RRBCVVYYBZNEQD-ONGXEEELSA-N 290.323 -0.314 50 20 CBGD N#C[C@H]1CC[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1 1332031008 XOZFMUJKGCOONO-IONNQARKSA-N 279.300 -0.712 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cn(C)nn1 1332574830 XPLMYTRZHSVRIZ-VXNVDRBHSA-N 282.304 -0.930 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CN2CCC(=O)NC2=O)o1 1340086572 CONUQNXAJCBZHW-UHFFFAOYSA-N 294.267 -0.709 50 20 CBGD O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)NNC(=O)[C@H]1CCC(=O)N1 1351628694 SUGSERTVPYKTJV-SGIHWFKDSA-N 281.312 -0.630 50 20 CBGD Cn1cc(C(=O)NNC(=O)CC[C@H](N)C(F)(F)F)nn1 1574211887 PACZWDUCCZOYGA-LURJTMIESA-N 294.237 -0.754 50 20 CBGD C[C@@H](CC(=O)NNC(=O)[C@H]1CCN1)c1cnn(C)c1 1575924718 AGHNJTJELHKTHG-WCBMZHEXSA-N 265.317 -0.577 50 20 CBGD Cc1ccc(NCC(=O)NNC(=O)COCCN)cc1 1579723752 KQBZGMANNRJQHF-UHFFFAOYSA-N 280.328 -0.470 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccc(-c2nn[nH]n2)o1 1589883085 WOCMUPUMVJHNDK-LURJTMIESA-N 266.261 -0.583 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C2CCC1(C(=O)O)CC2 1590940036 JRXHFZLQLDJSGF-UHFFFAOYSA-N 283.328 -0.129 50 20 CBGD O=C(NNC(=O)[C@@H]1CC[C@H]1C(=O)O)c1ccncc1 1594782663 FDWDFRXXVBNJRQ-RKDXNWHRSA-N 263.253 -0.047 50 20 CBGD Cc1cc(C(=O)O)nc(N2CC[C@H](B(O)O)C2)n1 1600127525 QEDSPCXSOVGLBC-ZETCQYMHSA-N 251.051 -0.464 50 20 CBGD O=C(O)C[C@@H]1CCC[C@H]1NC(=O)c1ccc(B(O)O)cc1 1602106524 LUFCEAIHRPFKFR-CMPLNLGQSA-N 291.112 -0.260 50 20 CBGD CNC(=O)NNC(=O)/C=C/c1cc(C(=O)O)co1 1606281273 RJXPCWVVZAKZJV-NSCUHMNNSA-N 253.214 -0.049 50 20 CBGD C[C@H](C(=O)NNC(=O)c1ccccc1)S(C)(=O)=O 46897204 LYXJWGGQZNLYKP-MRVPVSSYSA-N 270.310 -0.119 50 20 CBGD CNC(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1C 49464242 HQRQHKXJIAOTFF-UHFFFAOYSA-N 286.313 -0.784 50 20 CBGD O=C1CN(S(=O)(=O)CBr)CCCN1 127506174 XJZDKTOEYVIEAH-UHFFFAOYSA-N 271.136 -0.510 50 20 CBGD CN1CCC[C@H]2CN(CC(=O)NNC(=O)C3CC3)CC[C@@H]21 139936571 ZZEQHKAYUOBBCR-STQMWFEESA-N 294.399 -0.040 50 20 CBGD CC(C)(C)C(=O)NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 178128508 LZAYOGVUCVBWIV-QMMMGPOBSA-N 293.327 -0.044 50 20 CBGD COC(=O)NCCCC(=O)NNc1ncnc2nc[nH]c12 266503036 WBGQRERNBICALT-UHFFFAOYSA-N 293.287 -0.068 50 20 CBGD COCCCNC(=O)NNC(=O)CNC(=O)C(C)(C)C 299237740 HCGZRXMFZPRPOT-UHFFFAOYSA-N 288.348 -0.484 50 20 CBGD COC(=O)NNC(=O)CNC(=O)c1cccc(F)c1 490633957 MPGPQVZWHJGFRM-UHFFFAOYSA-N 269.232 -0.057 50 20 CBGD CCOC(=O)NNC(=O)c1cnc(N(C)C)cn1 494676658 JZADJVJRZLTHNC-UHFFFAOYSA-N 253.262 -0.067 50 20 CBGD CC(C)[C@@H](O)CNC(=O)c1ccc(B(O)O)cc1 584961052 WWYVMAJYRDRPAO-NSHDSACASA-N 251.091 -0.887 50 20 CBGD C[C@H]1[C@@H](C)OCCN1C(=O)c1ccc(B(O)O)cc1 584962908 MFAGLIBCSBXPCT-VHSXEESVSA-N 263.102 -0.384 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]([C@@H]2CCOC2)C1 584965853 SFXWDQLNKDBFLN-QWHCGFSZSA-N 289.140 -0.135 50 20 CBGD CC[C@]1(O)CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584974363 NSFYKMWYGQBSIO-ZDUSSCGKSA-N 281.092 -0.508 50 20 CBGD CC(C)OC[C@@H](CO)N(C)C(=O)c1ccc(B(O)O)cc1 584983771 SXTHOLAIDKKBEM-CYBMUJFWSA-N 295.144 -0.776 50 20 CBGD C[C@H]1CSC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584988766 UBFMTECGMVJBAB-WRWORJQWSA-N 283.133 -0.013 50 20 CBGD COCCOC[C@@H](C)NCc1cccc(B(O)O)c1 585025939 AEJDTXWXEAMTLX-LLVKDONJSA-N 267.134 -0.493 50 20 CBGD OB(O)c1ccccc1CN[C@H]1COc2ccccc2[C@@H]1O 585041079 MUEIHFSQOKYKEV-HOCLYGCPSA-N 299.135 -0.049 50 20 CBGD O=C1[C@H](NCc2cccc(B(O)O)c2)C[C@H]2CCCCN12 585044721 RBVMFPVAYVURNN-ZIAGYGMSSA-N 288.156 -0.391 50 20 CBGD OB(O)c1ccc(CNCC[C@@]2(O)CCCOC2)cc1 585045557 ITEUSHQOVVICQR-AWEZNQCLSA-N 279.145 -0.612 50 20 CBGD COc1ccc([N+](=O)[O-])cc1C(=O)NCB(O)O 585054801 RDCVHVMGKBSRGT-UHFFFAOYSA-N 254.007 -0.655 50 20 CBGD O=C(NCB(O)O)c1ccc(N=c2cc[nH]cc2)cc1 585060296 DDOGILIKQDEVQK-UHFFFAOYSA-N 271.085 -0.011 50 20 CBGD CC(=O)N1CCC[C@@H](C(=O)NNC(=O)C2CC2)C1 727942906 JIONBOHQUMNDEN-SNVBAGLBSA-N 253.302 -0.198 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)NC(C)C)CCC1 729968257 LNGKFPICLODKKI-UHFFFAOYSA-N 256.306 -0.359 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCCCN1C 735516691 WOHDFOYTRGMJGQ-JTQLQIEISA-N 265.317 -0.037 50 20 CBGD O=C(CO)NNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 753445163 VCMFVMMZGJGKCG-UHFFFAOYSA-N 278.224 -0.171 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1 753721438 SWKRKUMQUFRKQK-JTQLQIEISA-N 299.233 -0.403 50 20 CBGD C[C@@H]1CC(=NNC(=O)C(=O)NC2CC2)CN1C1CC1 753954654 HBRBHBGBPMVHAV-MRVPVSSYSA-N 264.329 -0.006 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1CC(=O)N(C)C1 764483500 BSNFZUVTXDALQT-SSDOTTSWSA-N 265.273 -0.593 50 20 CBGD CC1CCN(C(=O)C(=O)NNC(=O)c2cnn(C)c2)CC1 767932329 YXXDXILQHCMUSO-UHFFFAOYSA-N 293.327 -0.560 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc(O)nc(C2CC2)c1 771739945 FOISKBBLFYFYEH-UHFFFAOYSA-N 278.312 -0.013 50 20 CBGD CC(=NNC(=O)CO)c1cccc(-n2cnnn2)c1 776779864 MKHHCFHWXKKLCE-UHFFFAOYSA-N 260.257 -0.505 50 20 CBGD Cn1cc([C@@H](O)CNS(=O)(=O)CBr)cn1 782454730 NJECEZPKRYCBKH-ZETCQYMHSA-N 298.162 -0.275 50 20 CBGD C[C@@H](OC[C@H]1CCCO1)C(=O)NNC(=O)C(C)(C)O 787947521 RWERTJXVVCOJEL-RKDXNWHRSA-N 274.317 -0.511 50 20 CBGD COc1ccnc(NNC(=O)c2cc3n(n2)CCO3)n1 810090364 MQGNLDPHBDCCKB-UHFFFAOYSA-N 276.256 -0.169 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cnn(CCF)c1 813427323 DNOKOQKMERVCCX-UHFFFAOYSA-N 285.279 -0.461 50 20 CBGD C[C@@](C#N)(CC(=O)O)C(=O)NNC(=O)c1ccc[nH]1 819846988 IZWKGUBVMOGPKA-NSHDSACASA-N 264.241 -0.220 50 20 CBGD O=C(CN1CCC[C@H](n2ccnn2)C1)NNC(=O)C1CC1 823468619 IZQOKGIGVUIROH-NSHDSACASA-N 292.343 -0.528 50 20 CBGD C=CCN(CC(=O)NNC(=O)C(C)C)CC(=O)OCC 827516446 WQKZMGPJOOBXDH-UHFFFAOYSA-N 285.344 -0.159 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cc(C(F)(F)F)n[nH]1 830696655 JFIHEBQMKYDUQC-UHFFFAOYSA-N 280.206 -0.040 50 20 CBGD COC[C@H](OC)C(=O)NNc1ccc(C(=O)OC)cn1 831290425 ISQCYNYQDCGZJF-VIFPVBQESA-N 283.284 -0.027 50 20 CBGD COCCO[C@@H](C)C(=O)NN[C@@H](C(=O)O)c1cccnc1 831757449 PTKRSAFNBGVSHJ-GXSJLCMTSA-N 297.311 -0.120 50 20 CBGD C[C@H](C(=O)NNC(=O)c1ncccn1)N1CCSCC1 841350632 PAMYOYMJHIWAGY-SECBINFHSA-N 295.368 -0.325 50 20 CBGD CCONC(=O)CNC(=O)NNc1ccncn1 846724105 IZTYBISNPQFLSM-UHFFFAOYSA-N 254.250 -0.830 50 20 CBGD CCCSCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862452469 LLCLBFUQWDMHAA-ZETCQYMHSA-N 259.331 -0.444 50 20 CBGD C[C@H](C(=O)NNC(=O)CS(C)(=O)=O)C(C)(C)C 863463762 SWBHNLIOLNEEKY-SSDOTTSWSA-N 264.347 -0.139 50 20 CBGD CCO[C@H](C(=O)NNc1ccc(C(N)=O)nn1)C1CC1 863894746 BLSNQHLGJOJYKX-JTQLQIEISA-N 279.300 -0.166 50 20 CBGD COCC1(S(=O)(=O)NNC(=O)C2CCC2)CC1 882700065 VMUNPTADOGCFNP-UHFFFAOYSA-N 262.331 -0.084 50 20 CBGD COCC1(S(=O)(=O)NNC(=O)[C@H]2CCCCO2)CC1 882729776 LYBBEVOOJHRKST-SECBINFHSA-N 292.357 -0.315 50 20 CBGD CCOC(=O)N(C)CCCC(=O)NNC(=O)CN(C)C 896127827 CERGASVODWGDQZ-UHFFFAOYSA-N 288.348 -0.436 50 20 CBGD CCOC(=O)N(C)CCCC(=O)NNC(=O)NC 900352725 JCAURMXKCCTCMF-UHFFFAOYSA-N 260.294 -0.185 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc2nc(O)oc2c1 916643818 IOPKWVFLAIFCRC-UHFFFAOYSA-N 271.254 -0.137 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1c[nH]c2ccccc12 919683795 QKEFPYRQINSFOQ-UHFFFAOYSA-N 295.320 -0.027 50 20 CBGD CCn1cnc2c1CCN(CC(=O)NNC(=O)C1CC1)C2 933257798 NZEXCEIJPHGFEK-UHFFFAOYSA-N 291.355 -0.182 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@@H]1CCCOC1 1118980367 FNQZKGOVCAWSPI-JTQLQIEISA-N 274.317 -0.387 50 20 CBGD Cn1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 1319722325 SZGKCMZNQZCPSX-VIFPVBQESA-N 285.325 -0.779 50 20 CBGD CC(C)C(=O)NNS(=O)(=O)c1cnc2c(cnn2C)c1 1320430156 LCQMCGOAESZYNA-UHFFFAOYSA-N 297.340 -0.066 50 20 CBGD O=C(CCO)NNC(=O)Nc1ccn(CC(F)(F)F)n1 1320567152 PLEQZEFDJBXGTG-UHFFFAOYSA-N 295.221 -0.020 50 20 CBGD CS(=O)(=O)CCCC(=O)NNc1ncccn1 1321633935 GUKJACLYXXKJRD-UHFFFAOYSA-N 258.303 -0.256 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CC23CCOCC3)N1 1329532011 YHVKFNZENUHJPH-BDAKNGLRSA-N 281.312 -0.771 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CCc2nnc(C)n2C1 1332469096 IHOVHPUVBNFKSS-SNVBAGLBSA-N 267.333 -0.506 50 20 CBGD Cc1nnc(CC(=O)NNC(=O)c2c[nH]nc2C)s1 1333963497 QIWHEXQWHPJLND-UHFFFAOYSA-N 280.313 -0.118 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H](C)CS(C)(=O)=O 1334998721 UWWNYOYKGGWQNZ-SFYZADRCSA-N 252.336 -0.989 50 20 CBGD O=C(NN=c1cc[nH]cc1Cl)c1nnc(O)nc1O 1338076320 YOXVQYVKNSUSIX-UHFFFAOYSA-N 282.647 -0.490 50 20 CBGD O=C(CCCc1nn[nH]n1)NNc1ncccc1C(=O)O 1574524086 HSKFQZYGAXJQNS-UHFFFAOYSA-N 291.271 -0.241 50 20 CBGD O=C(C[C@@]1(O)CCCNC1)NNC(=O)[C@@H]1CCCS1 1580497665 FYLXIFNQRCMMQY-CABZTGNLSA-N 287.385 -0.466 50 20 CBGD O=C(NNC(=O)C12CCCN1CCC2)C1CCNCC1 1580732636 FXTLITMBNFHUMD-UHFFFAOYSA-N 280.372 -0.238 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCNC1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 1580735720 DLNKXMSMRXGWNA-ZDCRXTMVSA-N 279.340 -0.251 50 20 CBGD CCCCNC(=O)NNC(=O)Cn1ccc(C(=O)O)n1 1595758309 AJICYKHLULJMNW-UHFFFAOYSA-N 283.288 -0.288 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1cc(C(=O)O)co1 1596463426 ZSUYUNBCPOMJAP-UHFFFAOYSA-N 291.285 -0.168 50 20 CBGD NC(=O)CC(=O)NNc1ccc(C(=O)O)cc1F 1601145929 NNPOGRNDPQEWLI-UHFFFAOYSA-N 255.205 -0.158 50 20 CBGD CCC(=NNC(=O)C(N)=O)c1ccc(-c2nn[nH]n2)cc1 1603964490 FGBKSLOLGWOOGM-UHFFFAOYSA-N 287.283 -0.418 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1cc(C(=O)O)ccn1 1604057629 KSTHABPIPLRMDT-UHFFFAOYSA-N 281.272 -0.506 50 20 CBGD OB(O)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)c2)C1 1607092118 QGMRBZBQQXPDNV-SSDOTTSWSA-N 260.066 -0.685 50 20 CBGD Cn1cc(C(=O)O)cc1C=NNC(=O)c1ncon1 1776105685 AJSGFXFDNRUCEZ-UHFFFAOYSA-N 263.213 -0.130 50 20 CBGD CCCNC(=O)NNC(=O)Cn1ccc([N+](=O)[O-])n1 49279053 QNRMPQYKGFBTJU-UHFFFAOYSA-N 270.249 -0.468 50 20 CBGD CNC(=O)NNC(=O)CNC(=O)c1cccc(F)c1 126035684 MGLIGFQLRLWMMA-UHFFFAOYSA-N 268.248 -0.484 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1nccnc1Cl 265132875 GJXCLOIUSUJHNE-RXMQYKEDSA-N 293.736 -0.489 50 20 CBGD CN1C[C@@H](NC(=O)NNC(=O)c2ccccc2O)CC1=O 267525313 WSIGYBVBTOEMTL-QMMMGPOBSA-N 292.295 -0.433 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1ccncc1 272503108 FAAZVIUTEJIUPL-SSDOTTSWSA-N 258.303 -0.538 50 20 CBGD Cc1cccnc1NNC(=O)CN1CCS(=O)(=O)CC1 276684028 FZCWNSQQXIAWPX-UHFFFAOYSA-N 298.368 -0.436 50 20 CBGD COC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)c2cccn2C)O1 289335792 IMIFVLNKOOOGHE-VHSXEESVSA-N 295.295 -0.493 50 20 CBGD C[C@H](O)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 492697967 VDXDUXPGXBXOEO-LURJTMIESA-N 261.278 -0.961 50 20 CBGD CCN1CCC(CNC(=O)c2ccc(B(O)O)cc2)CC1 584935067 XGAYYJMIKQMIKI-UHFFFAOYSA-N 290.172 -0.172 50 20 CBGD CC[C@H](CCO)NC(=O)c1ccc(B(O)O)cc1 584962881 LRLQWLNHNPDZSB-LLVKDONJSA-N 251.091 -0.743 50 20 CBGD COC[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@@H](C)O1 584979514 WCYVLDNIFWBVCB-MFKMUULPSA-N 293.128 -0.758 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H](n2cccn2)C1 584992660 QWSXLBWGWKQRNU-ZDUSSCGKSA-N 285.112 -0.350 50 20 CBGD O=C(N[C@@H]1C[C@H]2CCCCN2C1)c1cccc(B(O)O)c1 584997743 ITJDKRBGBFHOQD-ZIAGYGMSSA-N 288.156 -0.277 50 20 CBGD COCCOCCCNCc1ccc(B(O)O)cc1F 585015278 VRXWGRJRNKTCBD-UHFFFAOYSA-N 285.124 -0.352 50 20 CBGD OB(O)c1cccc(CN[C@@H]2COc3ccccc3[C@@H]2O)c1 585040243 CVVXNWJCFGCWKA-ZBFHGGJFSA-N 299.135 -0.049 50 20 CBGD CO[C@@H]1COCC[C@@H]1CNCc1ccc(B(O)O)cc1F 585043508 NORARGWNKJXFIP-BXUZGUMPSA-N 297.135 -0.353 50 20 CBGD CCS(=O)(=O)CCCNCc1cccc(B(O)O)c1 585046021 LHSCELPTMQIEEF-UHFFFAOYSA-N 285.174 -0.719 50 20 CBGD O=S(=O)(CBr)N1C[C@@H](CO)[C@@H](CO)C1 705322350 GWDZOPXFEJLAGY-KNVOCYPGSA-N 288.163 -0.799 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC2(CC1)OCCO2 731849186 UCZHBBXXEXJIIU-SNVBAGLBSA-N 285.344 -0.229 50 20 CBGD O=C(NNC(=O)C1CCC1)c1ccc(-c2nn[nH]n2)nc1 738130132 LALXLQGYWSWPEO-UHFFFAOYSA-N 287.283 -0.177 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@@H]1C[C@@H]1C(=O)O 739348856 FSQZYAAEXLWDCP-BDAKNGLRSA-N 263.253 -0.508 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CC1(O)CCCC1 746103865 YEHDCLHMCCAVCR-UHFFFAOYSA-N 271.317 -0.646 50 20 CBGD O=C(NNC(=O)N1CCOCC1)C1=CCCCO1 746178029 ISZBNIJLHXXNOG-UHFFFAOYSA-N 255.274 -0.246 50 20 CBGD Cc1onc(-c2ccccn2)c1C(=O)NNC(=O)CO 753445042 DMZKUUFQVSRDCO-UHFFFAOYSA-N 276.252 -0.202 50 20 CBGD COc1ccc(NC(=O)NNC(=O)CO)cc1F 755923226 JBASUJDJJXFHIC-UHFFFAOYSA-N 257.221 -0.021 50 20 CBGD CC(C)(C)NC(=O)NNC(=O)C(=O)N1CCCC1 759613292 WVEQDYHNKOOMEL-UHFFFAOYSA-N 256.306 -0.262 50 20 CBGD Cc1cc(C)nc(NNC(=O)CN2CCN(C)C(=O)C2)n1 763239508 WOAPWJAZXCEWNH-UHFFFAOYSA-N 292.343 -0.689 50 20 CBGD CO[C@]1(CNC(=O)NNc2ncccn2)CCOC1 764802725 BWKFFTSLCUQABQ-NSHDSACASA-N 267.289 -0.092 50 20 CBGD Cc1[nH]nc(C(=O)NNC(=O)c2ccncc2)c1O 769537122 ZYWYLULAJYDRGW-UHFFFAOYSA-N 261.241 -0.106 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C(N)=O)o1 772213689 IAQQXEBRSRXQTA-LURJTMIESA-N 297.267 -0.519 50 20 CBGD CCONC(=O)NNC(=O)CNC(=O)c1ccco1 776216152 OJMWDFFXJHJJRI-UHFFFAOYSA-N 270.245 -0.709 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)N1[C@@H](C)CC[C@H]1C 780226869 KXQNCJBLXAMHIF-OUAUKWLOSA-N 298.387 -0.080 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1C[C@@H]2C[C@]2(CO)C1 782627280 ZPBBEXMYUPKYKY-TVQRCGJNSA-N 269.345 -0.506 50 20 CBGD CC(C)[C@H](F)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 784032473 JPGXSGBDOZKIMY-SFYZADRCSA-N 280.321 -0.437 50 20 CBGD CCC(=O)NNS(=O)(=O)c1cncc(C(=O)OC)c1 788479085 XJWWOHIDGAJDFP-UHFFFAOYSA-N 287.297 -0.412 50 20 CBGD CC[C@@H](CO)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 792855781 SXDHRVJGMLEKEM-VHSXEESVSA-N 278.374 -0.503 50 20 CBGD CC(=O)NC(C)(C)C(=O)NNC(=O)N=c1cc[nH]cc1 802026664 UUIJTFZVRYDALP-UHFFFAOYSA-N 279.300 -0.429 50 20 CBGD CS(=O)(=O)NCCC(=O)NNc1ncccc1F 804216961 MFRFUEAJIAPRAZ-UHFFFAOYSA-N 276.293 -0.397 50 20 CBGD O=C(CCCN1C(=O)CNC1=O)NNc1ncccc1F 804218424 UDYMBCUPBFTVLU-UHFFFAOYSA-N 295.274 -0.004 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)[C@@H]1CCc2nncn2C1 816886807 HXZANSITRIABPC-NXEZZACHSA-N 293.327 -0.443 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CC(=O)N(C)C1 818386702 CYQNHVBLHBNCFG-YIZRAAEISA-N 269.301 -0.963 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CN1CCOC1=O 824016864 UKGQWXZHIZBCDF-JGVFFNPUSA-N 271.273 -0.989 50 20 CBGD C[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CCO1 827268441 OQGQELRXZACZHL-BBBLOLIVSA-N 271.317 -0.127 50 20 CBGD CCNC(=O)NN=C(C)c1cn(CC(=O)O)nn1 829800010 WJOBBZMAIKONHO-UHFFFAOYSA-N 254.250 -0.594 50 20 CBGD CCC[C@H](O)CCNC(=O)c1cc(B(O)O)ccc1F 832695852 PBEZJYYVJOXYBT-JTQLQIEISA-N 283.108 -0.214 50 20 CBGD CC1(C)CNCCN1CC(=O)NNC(=O)C1CC1 843352645 QTAUFADFRIGDRN-UHFFFAOYSA-N 254.334 -0.772 50 20 CBGD Cc1nnc(NNC(=O)[C@@H]2CCN(C)[C@@H]2C)nc1O 844128278 MDEONAAXXCCWOV-HTQZYQBOSA-N 266.305 -0.331 50 20 CBGD CN(CC(Cl)Cl)C(=O)[C@H]1CCS(=O)(=O)N1 848084670 FBXDIUOENARNMT-RXMQYKEDSA-N 275.157 -0.060 50 20 CBGD COC[C@H](OC)C(=O)NNC(=S)N[C@@H](C)C1CC1 855094696 FLSJXJKBLHHUJS-CBAPKCEASA-N 275.374 -0.058 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)OCC(F)(F)F)C1 856021882 UZVCKTWUTQKORM-ZCFIWIBFSA-N 285.222 -0.363 50 20 CBGD O=C(NNC(=O)[C@]1(O)CCOC1)OCC(F)(F)F 856026037 JLJVRQIKGOAYHX-ZETCQYMHSA-N 272.179 -0.543 50 20 CBGD CCN1CCO[C@@H](C(=O)NN=c2cc[nH]c(C)c2)C1 862513300 QWMNRFXMQSIJPH-GFCCVEGCSA-N 264.329 -0.024 50 20 CBGD COCCn1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cn1 869069041 XWXPPJXCHLKGBU-KOLCDFICSA-N 296.327 -0.285 50 20 CBGD COCCOCC(=O)NN=Cc1cnc2ncccn12 872401292 OGSIFQDCPCFIEX-UHFFFAOYSA-N 277.284 -0.158 50 20 CBGD O=C1CNC(=O)N1CCNS(=O)(=O)CCCCl 881892709 XCSYNDFAKFLFRL-UHFFFAOYSA-N 283.737 -0.914 50 20 CBGD CN1C(=O)CS/C1=C\C(=O)N1CC[C@@H](B(O)O)C1 902552926 ZKIYCHPZMIVUGN-GDRUQYFBSA-N 270.119 -0.892 50 20 CBGD CCNC(=O)NNC(=O)c1c2c(nn1C)CCC2 906416846 HIQDKJMUJPPRGF-UHFFFAOYSA-N 251.290 -0.127 50 20 CBGD C[C@@H](C(=O)NNC(=O)N1CCOCC1)c1cnccn1 906446656 BHLFRYHECNHRIY-SECBINFHSA-N 279.300 -0.347 50 20 CBGD O=C(NCCC(=O)N1CCOCC1)NNc1ccccn1 916251411 NAIHISCDRFFBAP-UHFFFAOYSA-N 293.327 -0.043 50 20 CBGD COc1cc2c(cc1C=NNC(=O)C(N)=O)O[C@@H](C)C2 916541496 YFSSFDBYTOXBKW-ZETCQYMHSA-N 277.280 -0.046 50 20 CBGD COCC(=NNC(=O)CS(C)(=O)=O)C1CCOCC1 1118892511 MGDDOBKYRKQHLM-UHFFFAOYSA-N 292.357 -0.424 50 20 CBGD COCCn1cc(NC(=O)NNC(=O)CCO)cn1 1321213577 NUBSZHSUVCACJR-UHFFFAOYSA-N 271.277 -0.935 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cn2c(n1)CCCC2 1325058500 SNURNEARFPXMOU-UHFFFAOYSA-N 273.318 -0.658 50 20 CBGD CCc1cc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)on1 1329174376 UZQXGARUBCWHHR-VIFPVBQESA-N 295.299 -0.654 50 20 CBGD CC(C)C(=O)NNC(=O)NC[C@H](C)S(C)(=O)=O 1330544117 CIUJKPVSBQGSHT-ZETCQYMHSA-N 265.335 -0.594 50 20 CBGD CCNC(=O)N(C)NC(=O)CN1CCC(CO)CC1 1336435512 WBSKKANWNLBVQU-UHFFFAOYSA-N 272.349 -0.617 50 20 CBGD CCC(=O)N1CC[C@@H](C(=O)NNC(=O)N(C)C)C1 1340819323 UWURMROBSHBNAQ-MRVPVSSYSA-N 256.306 -0.453 50 20 CBGD CC1(C)C[C@@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 1348110588 LETFHAUHHVHXOJ-DTWKUNHWSA-N 298.343 -0.447 50 20 CBGD CCOC(=O)c1cnc(NNC(=O)C2(N)CC2)nc1C 1573793434 GXQTZTXUBJWNTG-UHFFFAOYSA-N 279.300 -0.104 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@@H]2CC[C@H]2C(=O)O)nn1 1574503217 VCONWNDUQZSHPI-PHDIDXHHSA-N 279.256 -0.871 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@@H]1CC[C@H]1C(=O)O 1594710843 AXSBIUIPNYHKBY-NXEZZACHSA-N 277.280 -0.118 50 20 CBGD Cn1c(C=NNC(=O)NCC(=O)O)cnc1Cl 1600911030 CFWISRGICQDTQT-UHFFFAOYSA-N 259.653 -0.209 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(C(=O)O)nn1C 1604834309 JNRJIVJJPFMUFG-RNFRBKRXSA-N 296.283 -0.696 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCC[C@@H](CC(=O)O)C1 1609789542 PNQBDSBVNXXUGI-JTQLQIEISA-N 285.344 -0.024 50 20 CBGD O=C(CNC(=O)c1ccccc1)NNC(=O)C1CC1 41781377 YRFSPZCHAAMXNN-UHFFFAOYSA-N 261.281 -0.026 50 20 CBGD CNC(=O)NNC(=O)c1ccc(NC(N)=O)cc1 48949283 HIAXDJUJLQIUDG-UHFFFAOYSA-N 251.246 -0.249 50 20 CBGD C[C@H](CC(N)=O)NS(=O)(=O)CBr 163931419 SYLGJSJBBZOBOL-SCSAIBSYSA-N 259.125 -0.478 50 20 CBGD CN(CC(=O)NNC(=O)CO)Cc1ccccc1 180948740 SYCLZFYXGISWGO-UHFFFAOYSA-N 251.286 -0.742 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 277082617 KSGNZJCAHPUKQM-UHFFFAOYSA-N 290.283 -0.806 50 20 CBGD COc1ncccc1C(=O)NNC(=O)N1CCN(C)CC1 278604523 LJDVGKZNVPCCJQ-UHFFFAOYSA-N 293.327 -0.308 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CC(=O)N(CC)C1 281078656 FULKJXIEULHLLS-MRVPVSSYSA-N 270.358 -0.464 50 20 CBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=O)c1ccccc1 291404938 FQLKVESUIRMUNN-NSHDSACASA-N 293.323 -0.419 50 20 CBGD C[C@@H](C(=O)NNc1nnc[nH]1)n1nnnc1C(C)(C)C 293826053 GCSIWPJKFUQKQW-LURJTMIESA-N 279.308 -0.207 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@@H]1CCCO1)n1cccn1 294784020 ZMYUDERUPCMAAT-BDAKNGLRSA-N 252.274 -0.230 50 20 CBGD CC(=O)NNC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 298204166 XBIMGBOCPSUPMB-UJNFCWOMSA-N 281.312 -0.283 50 20 CBGD COCCN1C[C@@H](C(=O)NNc2ncccn2)CC1=O 298410505 RKQQWYPHHLWAHW-VIFPVBQESA-N 279.300 -0.585 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccc([N+](=O)[O-])[nH]1 299225946 CPSBMERNVLKTSM-UHFFFAOYSA-N 285.260 -0.097 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)N2CCCC2)c(=O)n(C)c1=O 490587190 DWETUVUFWQEIDH-YFHOEESVSA-N 288.307 -0.387 50 20 CBGD COc1ncc(/C=C/C(=O)NNC(=O)N(C)C)cn1 493038597 JADFJPQVMYWOPM-SNAWJCMRSA-N 265.273 -0.199 50 20 CBGD CCOC(=O)NNC(=O)COCc1ccnn1C 495887647 TWQKTOLHONAUPJ-UHFFFAOYSA-N 256.262 -0.286 50 20 CBGD CC(C)[C@]1(C(=O)Nc2cccc(B(O)O)c2)CNC(=O)C1 584910314 ALKVFWNHYYGDRT-CQSZACIVSA-N 290.128 -0.533 50 20 CBGD C[C@@H]1CN(C)CC[C@@H]1NC(=O)c1cccc(B(O)O)c1 584937927 RJDIQTPEGUIIHN-MFKMUULPSA-N 276.145 -0.564 50 20 CBGD C[C@@H]([C@@H](C)NC(=O)c1ccc(B(O)O)cc1)n1cccn1 584945871 MKZGEICVTJGYQS-MNOVXSKESA-N 287.128 -0.058 50 20 CBGD C[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C[C@@H]1O 584969143 CHXSSXJLHCSHOZ-SKDRFNHKSA-N 263.102 -0.791 50 20 CBGD C[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C[C@H]1O 584969728 IHJVOZRULWKJFG-QPUJVOFHSA-N 281.092 -0.652 50 20 CBGD C[C@H](CO[C@@H]1CCOC1)NCc1ccc(B(O)O)cc1 585030921 LFZQKANLTJYMIE-BXUZGUMPSA-N 279.145 -0.350 50 20 CBGD Cc1c(/C=C/C(=O)N2CC[C@H](B(O)O)C2)cnn1C 585064165 CWARUIOAGBBZCU-UFFNRZRYSA-N 263.106 -0.183 50 20 CBGD COCCOCC(=O)NNC(=S)N[C@@H](C)COC 733123698 ANTDVHJRJIZJLO-QMMMGPOBSA-N 279.362 -0.820 50 20 CBGD COc1ncc(C(=O)NNC(=O)c2cccnc2)cn1 733947636 AWKGEIWMUVRJJI-UHFFFAOYSA-N 273.252 -0.045 50 20 CBGD O=C(NNc1cnccn1)[C@H]1CC(=O)N(C2CC2)C1 734245461 FIONKLBFSAVSMS-QMMMGPOBSA-N 261.285 -0.069 50 20 CBGD COc1ncnc(N)c1C=NNC(=O)c1c[nH]nc1C 747632568 NNUSLLJOYRPEAX-UHFFFAOYSA-N 275.272 -0.137 50 20 CBGD O=C(NNS(=O)(=O)c1c[nH]c(C(=O)O)c1)c1ccoc1 751276140 KGPHYFPHYNAXDZ-UHFFFAOYSA-N 299.264 -0.071 50 20 CBGD CS(=O)(=O)CC1(CNC(=O)NNc2cccnn2)CC1 752019919 MQEINXKQSTXFCY-UHFFFAOYSA-N 299.356 -0.073 50 20 CBGD CC(C)c1cc(C(=O)NNC(=O)CO)cc(O)n1 753439137 KIXKQABUGYIAHD-UHFFFAOYSA-N 253.258 -0.336 50 20 CBGD O=C(CCC1CCCC1)NCC(=O)NNC(=O)CO 753439401 MUUKNOZXNZPDAC-UHFFFAOYSA-N 271.317 -0.787 50 20 CBGD COC(=O)NCCC(=O)NNc1ncc(F)cn1 760912250 SLRYHLMYLOWALL-UHFFFAOYSA-N 257.225 -0.195 50 20 CBGD CCCc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1 764428164 CFSWSSULQKRFKC-UHFFFAOYSA-N 279.296 -0.283 50 20 CBGD CC(=O)NNC(=O)C(=O)NCc1ccc(F)cc1 765990074 KNZMZHUCFCCLAA-UHFFFAOYSA-N 253.233 -0.391 50 20 CBGD COc1cccc(C(=O)NNC(=O)c2nc[nH]n2)c1O 781420982 NJNRQRNEIUZGIV-UHFFFAOYSA-N 277.240 -0.406 50 20 CBGD O=C(NNC(=O)N1CCOCC1)C1CCN(C2CC2)CC1 787268815 ZKKMIRXFKCFIMO-UHFFFAOYSA-N 296.371 -0.066 50 20 CBGD CC(C)[C@H](F)C(=O)NNC(=O)N1CCN(C)CC1 807381632 BFYYOUPELHILFX-VIFPVBQESA-N 260.313 -0.031 50 20 CBGD COCCN(C)NC(=O)CCCN1C(=O)CN(C)C1=O 808075686 XCGQSPSMABHGAZ-UHFFFAOYSA-N 286.332 -0.730 50 20 CBGD O=C(CCc1ccccc1)NNC(=O)[C@H]1CCNC1=O 825090016 NABGGHHHSMXETP-NSHDSACASA-N 275.308 -0.097 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN(CC#N)CC(=O)O 826134850 CXQNOHGGWPEASI-UHFFFAOYSA-N 270.289 -0.910 50 20 CBGD O=C1CC(C(=O)NNc2cccc(-c3nn[nH]n3)c2)=NN1 826478672 HOXHBLCQUSKZKM-UHFFFAOYSA-N 286.255 -0.814 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccnn1C 831661793 NQKVNNGAZNCWFN-HTQZYQBOSA-N 267.289 -0.002 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NN=C1CCN(CCO)CC1 842549810 RHAISVMESRVOAG-PWSUYJOCSA-N 269.345 -0.028 50 20 CBGD CC(=O)NC(C)(C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843647804 NUCXAQRSNXYWTD-APPZFPTMSA-N 271.317 -0.527 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)c1ncccn1 844585361 NTJPMPYRLYOCSG-UHFFFAOYSA-N 279.300 -0.600 50 20 CBGD CNC(=S)N(C)NC(=O)c1n[nH]c2c1CCC2 854925793 MRHIUNQHBWTXNG-UHFFFAOYSA-N 253.331 -0.021 50 20 CBGD C[C@]1(C#N)CCCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858699353 ORZUMFIACXWCSK-NOZJJQNGSA-N 293.327 -0.369 50 20 CBGD CCS(=O)(=O)CC(=O)NN[C@@H](C)C(F)(F)F 862309644 SDHIJFCCNLJCFN-YFKPBYRVSA-N 262.253 -0.007 50 20 CBGD CCc1occc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862459561 VVCFILCAMIPVER-MRVPVSSYSA-N 265.269 -0.118 50 20 CBGD Cc1cc(=NNC(=O)[C@H]2CCCN2S(C)(=O)=O)cc[nH]1 862509550 PNXSLEATMGJXQH-LLVKDONJSA-N 298.368 -0.321 50 20 CBGD N#Cc1ncn(CC(=O)NNCC(F)(F)C(F)(F)F)n1 863097753 PARGGZXKTWVYRQ-UHFFFAOYSA-N 298.175 -0.032 50 20 CBGD CC(C)OC(=O)CCCNC(=O)c1cccc(B(O)O)c1 863878228 BUHDVYKDNDNVRB-UHFFFAOYSA-N 293.128 -0.172 50 20 CBGD CCN1CCO[C@@H](C(=O)NNC(=O)Cc2cc(C)[nH]n2)C1 869014397 RYWRDYWCCZDWBB-LLVKDONJSA-N 295.343 -0.871 50 20 CBGD CCC[C@@H](CCO)NC(=O)c1ccc(B(O)O)cc1 869870225 XJLKXJHGLIOANW-LBPRGKRZSA-N 265.118 -0.353 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1C[C@H]2[C@@H](O)CC[C@H]2C1 886575550 ZQHWNPIGVGZWML-AXFHLTTASA-N 283.372 -0.117 50 20 CBGD CC[C@H](C)[C@H](NC(C)=O)C(=O)NN(C)C[C@@H](C)O 910154417 CZKLQZKFHVXDJU-NGZCFLSTSA-N 259.350 -0.119 50 20 CBGD CNC(=O)COc1cccc(CC(=O)NNC(C)=O)c1 1117777746 CYYHZTCHWXXCPY-UHFFFAOYSA-N 279.296 -0.479 50 20 CBGD NC(=O)c1csc(CNC(=O)NNC(=O)C2CCC2)n1 1118566337 IGXMYNQNYYXBAG-UHFFFAOYSA-N 297.340 -0.128 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ncc(OC)cn1 1261239184 HCBMRTVAJQSYDL-SSDOTTSWSA-N 296.283 -0.412 50 20 CBGD CC(C)C(=O)NNC(=O)C(=O)Nc1cccc(C(N)=O)c1 1320348747 BFJXEVSVTSBTEY-UHFFFAOYSA-N 292.295 -0.473 50 20 CBGD Cn1c(=O)cc(C(=O)NNC(=O)CO)c2ccccc21 1320377867 PREALSVEFLLVCJ-UHFFFAOYSA-N 275.264 -0.708 50 20 CBGD CN(C)C(=O)NNC(=O)c1cc(N2CCOCC2)ccn1 1321655362 LZSSBYAKJSCTIP-UHFFFAOYSA-N 293.327 -0.166 50 20 CBGD Cc1nnc(NNC(=O)Cn2ccccc2=O)nc1O 1322111402 VWVLIYRPSFVFJV-UHFFFAOYSA-N 276.256 -0.809 50 20 CBGD CCCCNC(=O)NNC(=O)C(=O)c1cnn(C)c1 1325758520 UOQAIZIRXPKGMR-UHFFFAOYSA-N 267.289 -0.267 50 20 CBGD Cc1onc(CO)c1C(=O)NNC(=S)NC(C)C 1326742672 WJNPSPICYOANMT-UHFFFAOYSA-N 272.330 -0.007 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1nccn1C 1328121198 YUHKTOHCBSXUSJ-RKDXNWHRSA-N 281.316 -0.325 50 20 CBGD C[C@@]1(CNC(=O)NNC(=O)c2cn[nH]c2)CCC(=O)N1 1328720003 ZVTRZMLCQBQUMK-NSHDSACASA-N 280.288 -0.978 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCc2cccnc2)N1 1329871710 RJFSYQLVDSHJAC-JTQLQIEISA-N 291.311 -0.767 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)C1CCOCC1 1330828844 FSDKTBZMPXVSNT-QMMMGPOBSA-N 271.317 -0.525 50 20 CBGD CO[C@H]1COCC[C@@H]1CNC(=O)NNC(=O)c1cn[nH]c1 1334932603 DCDSEYQMXUQRBA-SCZZXKLOSA-N 297.315 -0.595 50 20 CBGD CNC(=O)CCCNC(=O)NNC(=O)Cc1ccncc1 1339878403 UAWQQPGNBQPYEK-UHFFFAOYSA-N 293.327 -0.519 50 20 CBGD C=CCC[C@H](NCc1cccc(B(O)O)c1)C(=O)O 1353909484 FSLSJDVJPQSJCO-LBPRGKRZSA-N 263.102 -0.125 50 20 CBGD C[C@@]1(C(=O)NNC(=O)c2cccc(F)n2)C[C@@H](O)CN1 1576350686 RPBVEAARBPPLGR-KRTXAFLBSA-N 282.275 -0.905 50 20 CBGD COc1ccc(CC(=O)NNC(=O)CN)cc1O 1579206805 WEQCGBPEBKVXJM-UHFFFAOYSA-N 253.258 -0.951 50 20 CBGD O=C1NCC[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1 1593409193 UOGIBGSPBUEKDJ-VIFPVBQESA-N 287.283 -0.554 50 20 CBGD C[C@@]1(C(=O)NNC(=O)N[C@H]2C[C@H](C(=O)O)C2)CCCO1 1593755429 RBJUZBSOIFACPL-UBJUHAIHSA-N 285.300 -0.251 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)CC(=O)O 1594712524 QKIOLBGUTNNJTO-BQBZGAKWSA-N 274.273 -0.414 50 20 CBGD COC(=O)CCN(CC(=O)O)S(=O)(=O)CCl 1604317151 ASNKAVSMPDIHEC-UHFFFAOYSA-N 273.694 -0.538 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)COc1ccc(C)cc1 1604433916 IHWPNJSCVXDCPF-LLVKDONJSA-N 296.279 -0.379 50 20 CBGD O=C(CCO)NNC(=O)Nc1ccc(-c2nn[nH]n2)cc1 1606524227 QRFMVVQOROTOGC-UHFFFAOYSA-N 291.271 -0.598 50 20 CBGD Cn1c(C(=O)O)ccc1C(=O)NNC(=O)c1cc[nH]n1 1608083636 LWRMXVFDTFUDKD-UHFFFAOYSA-N 277.240 -0.479 50 20 CBGD O=C(CO)NNC(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 1609528798 RXJZPYBVAZWYBW-UHFFFAOYSA-N 296.674 -0.727 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cncc(O)c2)cn1 117987644 YPTNVYSDWQCORI-UHFFFAOYSA-N 261.241 -0.405 50 20 CBGD O=C(NNC(=O)c1nc(=O)[nH][nH]1)c1ccc2ccccc2n1 126654268 XVIXEIHUFQYUIC-UHFFFAOYSA-N 298.262 -0.279 50 20 CBGD CN(C)C(=O)CNC(=O)C(=O)NNc1ccc(Cl)cc1 131081323 DVSLABBRBVFFJZ-UHFFFAOYSA-N 298.730 -0.013 50 20 CBGD O=C1CCCC[C@@H](C(=O)NNC(=O)c2ccncc2)N1 193661988 KFECNUFTTMOYIM-JTQLQIEISA-N 276.296 -0.099 50 20 CBGD CCN(CCCO)C(=O)c1ccc(B(O)O)cc1 584966647 GWASYJZXDRFFIS-UHFFFAOYSA-N 251.091 -0.789 50 20 CBGD CC[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@H]1O 584968213 USQJSVJZDNFIIV-PRHODGIISA-N 281.092 -0.652 50 20 CBGD CC[C@H](C)[C@H](CO)NC(=O)c1ccc(B(O)O)c(F)c1 584968756 DNTWVUIUMKOLRN-UFBFGSQYSA-N 283.108 -0.358 50 20 CBGD O=C(NCC1(CO)CCC1)c1cc(B(O)O)ccc1F 584977753 ZGRZFLWHBPHUIH-UHFFFAOYSA-N 281.092 -0.602 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](c2nc[nH]n2)C1 585000263 IQSGUVIKUIUHGH-SNVBAGLBSA-N 286.100 -0.886 50 20 CBGD CN(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(B(O)O)cc1 585001348 WKTLGANGOBIFTC-ZIAGYGMSSA-N 290.172 -0.031 50 20 CBGD CC(C)C[C@H](CO)NCc1cccc(B(O)O)c1 585018973 YKUHGEFMTYDGTF-CYBMUJFWSA-N 251.135 -0.137 50 20 CBGD CN1CCC[C@H](CNCc2ccc(B(O)O)cc2)C1 585023237 FLSOVSHVGMMIPX-CYBMUJFWSA-N 262.162 -0.202 50 20 CBGD CNC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(B(O)O)o1 585029907 LWCLCDSHBSSKLC-MNOVXSKESA-N 280.133 -0.646 50 20 CBGD CCCCOCCOCCNCc1ccc(B(O)O)o1 585033274 CHYBTIGGOQTPKF-UHFFFAOYSA-N 285.149 -0.118 50 20 CBGD Cc1noc([C@H](C)NCc2ccccc2B(O)O)n1 585038231 WXWUFXMSEDIMFW-QMMMGPOBSA-N 261.090 -0.091 50 20 CBGD C[C@@H]1OCC[C@]1(O)CNCc1ccc(B(O)O)cc1F 585038471 GDEDRNNGCNDKIN-ZANVPECISA-N 283.108 -0.865 50 20 CBGD CO[C@H](CNCc1ccc(B(O)O)o1)[C@H]1CCOC1 585045140 CHVLEWNCQUJZTA-GXSJLCMTSA-N 269.106 -0.900 50 20 CBGD Cc1cc(S(=O)(=O)N2CC[C@H](B(O)O)C2)sn1 585057755 ZDTUDGWFAVNRMB-ZETCQYMHSA-N 276.148 -0.311 50 20 CBGD Cc1ccc(CS(=O)(=O)NCB(O)O)cc1F 585059313 IYVCLZHSKHNJPG-UHFFFAOYSA-N 261.083 -0.434 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1CCCOC1 727732984 XKSGVBUQZBMDIY-VIFPVBQESA-N 259.306 -0.220 50 20 CBGD CCOCC(=O)NNC(=S)NCCCN(C)C 731161277 STDIVUYVQYXRFO-UHFFFAOYSA-N 262.379 -0.530 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)N1 732257106 DLWXGTMTXVIERW-VIFPVBQESA-N 292.251 -0.366 50 20 CBGD CC(C)NC(=O)CCCC(=O)NNC(=O)N(C)C 732755395 UPPBVMPOPJIQIV-UHFFFAOYSA-N 258.322 -0.016 50 20 CBGD CN(C)CC(=O)NNC(=O)Cc1ccc2c(c1)OCCO2 733359444 PDAJRECWGWESKD-UHFFFAOYSA-N 293.323 -0.291 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)CC(=O)O 738801369 DUYPGAUXAFQAPK-QMMMGPOBSA-N 259.306 -0.415 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 746005947 DYDMBNNZQDUSCF-ZETCQYMHSA-N 254.290 -0.700 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 747845348 VUNRPEBJOBGKDW-UHFFFAOYSA-N 297.336 -0.075 50 20 CBGD CS(=O)(=O)CC1(CNC(=O)NNc2ncccn2)CC1 753035764 IXIKKHSTFXOEBS-UHFFFAOYSA-N 299.356 -0.073 50 20 CBGD O=C(CO)NNC(=O)[C@H](c1ccccc1)n1cccn1 753443101 RVJCWKWSOSXNCD-LBPRGKRZSA-N 274.280 -0.388 50 20 CBGD COC1(C(=O)NNC(=O)C(=O)NC2CC2)CCCC1 754164829 UHMCKCCOANBUKL-UHFFFAOYSA-N 269.301 -0.628 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=O)c1ccccn1 754975831 DZJSTFRWFCBARG-LLVKDONJSA-N 253.258 -0.760 50 20 CBGD O=C(NNC(=O)[C@H]1CC12CCC2)C(=O)N1CCCC1 759769010 SQZSDOVTTKCMAR-SECBINFHSA-N 265.313 -0.054 50 20 CBGD CC(C)(C)[C@H](O)C(=O)NNC(=O)N1CCOCC1 764934384 MVPKFLGUSCZZFF-MRVPVSSYSA-N 259.306 -0.534 50 20 CBGD CN(C)N(C(=O)Cn1cccn1)[C@@H]1CCS(=O)(=O)C1 766249266 PGAXXGRCIBQTHW-SNVBAGLBSA-N 286.357 -0.625 50 20 CBGD NC(=O)NC1(C(=O)NNC(=O)NC2CCCC2)CC1 767335202 URDVOQANHZOCRT-UHFFFAOYSA-N 269.305 -0.540 50 20 CBGD CCc1cc(C(=O)NNC(=O)C(C)(C)O)c(C)nn1 768260314 VMLCQQBVIPSMTF-UHFFFAOYSA-N 266.301 -0.121 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc2cc[nH]c2n1 782853086 DYQHZVFJWYOVAT-UHFFFAOYSA-N 261.285 -0.115 50 20 CBGD Cc1cc(O)cc(=O)n1CCC(=O)NNC(=O)N(C)C 783585094 OTXAJSUBMJUKEA-UHFFFAOYSA-N 282.300 -0.445 50 20 CBGD C[C@@H]([C@H](C)C(=O)NNC(=O)c1ccccn1)S(C)(=O)=O 788262820 YOHBKTJKPJOJHM-IUCAKERBSA-N 299.352 -0.088 50 20 CBGD COCCOCC(C)=NNC(=O)N1CCN(C)CC1 790182398 UYGATLYWTMIOMP-UHFFFAOYSA-N 272.349 -0.018 50 20 CBGD CCNC(=O)NNC(=O)[C@](C)(O)Cn1c(C)cccc1=O 792085530 OTCHZSMAHZWUGD-CYBMUJFWSA-N 296.327 -0.742 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H](C)S(C)(=O)=O 798306940 DCCPFZDKWKVLDT-ZCFIWIBFSA-N 265.360 -0.899 50 20 CBGD O=C(NC[C@H]1COCCO1)NNc1ncncc1F 814285953 SOBNMIMSXVXXBZ-ZETCQYMHSA-N 271.252 -0.343 50 20 CBGD CN(C)CCn1nccc1C(=O)NNC(=O)C1CC1 823703481 DNGYRTYTWMQDLN-UHFFFAOYSA-N 265.317 -0.384 50 20 CBGD CCN(CCO)NC(=O)[C@H](C(C)C)N1CCCC1=O 823856742 YIQIDQKHBISAAN-LBPRGKRZSA-N 271.361 -0.021 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)OCC(F)(F)F 825519245 JISPIEWXNKTQLP-RXMQYKEDSA-N 283.206 -0.073 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCCn1cncn1 825685972 AVCZQLXPTYHBCW-VHSXEESVSA-N 296.331 -0.576 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ncn(C)n1 831835168 LAVSWFFVRRJLQL-BQBZGAKWSA-N 268.277 -0.607 50 20 CBGD C[C@H]1CC(=NNC(=O)C(=O)NN=C2CO[C@@H](C)C2)CO1 842522838 QSAUKVPZHNGUCT-YUMQZZPRSA-N 282.300 -0.452 50 20 CBGD COc1ncc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cn1 843653116 WDQIMSPANXCHLR-CBAPKCEASA-N 280.284 -0.329 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc2cccnn12 846276847 XTXUPYFBXSVMCV-DTWKUNHWSA-N 289.295 -0.085 50 20 CBGD CCCNC(=O)NNC(=O)Cn1nnc2c1CCCC2 847392879 BEXUQNDIZLJRNW-UHFFFAOYSA-N 280.332 -0.103 50 20 CBGD CC(C)C(=O)NNC(=O)CN[C@@H](CCO)C(F)(F)F 852080872 HLEOVRWCFSFHCG-ZETCQYMHSA-N 285.266 -0.307 50 20 CBGD CC[C@H]1COCC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 853292737 WMGZWMCYLXGCOK-DTWKUNHWSA-N 289.357 -0.115 50 20 CBGD O=CN1CCC[C@H]1C(=O)NNC(=O)c1ccncc1 854117921 QAKYFYWFMKUGGT-JTQLQIEISA-N 262.269 -0.537 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H](NC(N)=O)C(C)(C)C 854921040 MEYFQPVGZNHOFG-LURJTMIESA-N 275.378 -0.463 50 20 CBGD CNC(=S)N(C)NC(=O)CCN1CCCC1=O 854924295 TWRURFXHRJHCMZ-UHFFFAOYSA-N 258.347 -0.534 50 20 CBGD O=C(CC[C@@H]1CCCO1)NNC(=O)[C@H]1CCC(=O)N1 862450881 CSXUETHYZMNLPO-DTWKUNHWSA-N 269.301 -0.628 50 20 CBGD CC(C)NC(=O)NNC(=O)c1cnn(CCN(C)C)c1 865042858 ZLNXUFUPVWGBOH-UHFFFAOYSA-N 282.348 -0.203 50 20 CBGD COCCOCC(=O)NNC(=O)C#Cc1ccccc1 869909738 HZFGUARTXYRUNB-UHFFFAOYSA-N 276.292 -0.152 50 20 CBGD CSSCCNC(=O)N(C)CCS(N)(=O)=O 873007208 YGXUUVQPMKXQLW-UHFFFAOYSA-N 287.432 -0.073 50 20 CBGD O=C(CN1C[C@H]2CC[C@H]1[C@H](O)C2)NNC(=O)C1CC1 887042163 PURKBSIKSRUMIN-INTQDDNPSA-N 267.329 -0.611 50 20 CBGD C#CCCCC(=O)NNC(=O)CN(C)CC(=O)NC(C)C 887140639 MSQJRBPNYRXSTD-UHFFFAOYSA-N 296.371 -0.606 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCN2C(C)(C)C)CC1 897536063 QOLUDTWCJWNJNX-LLVKDONJSA-N 297.403 -0.153 50 20 CBGD COC(=O)N(C)NC(=O)CCN1C(=O)C(C)=C(C)C1=O 908112486 BVOAATNCJAIZIH-UHFFFAOYSA-N 283.284 -0.189 50 20 CBGD Cc1cn2ccnc(C(=O)NN(C)C[C@H](C)O)c2n1 910151979 ICYXOVGSXJTFHN-VIFPVBQESA-N 263.301 -0.005 50 20 CBGD CC(C)CC(=O)NNC(=O)CCSc1nnnn1C 918018151 QDBBTCJHZSNTBJ-UHFFFAOYSA-N 286.361 -0.114 50 20 CBGD C[C@@H]1[C@H](N(C)C)CCN1CC(=O)NNC(=O)C1CC1 931039927 UMGGWIBVNRRUMN-MWLCHTKSSA-N 268.361 -0.432 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)Cc2cccnc2)cn1 1115985176 SABSZVHMNJSHIH-UHFFFAOYSA-N 299.290 -0.421 50 20 CBGD C[C@H](NC(=S)NNC(=O)CCn1cnnn1)C1CC1 1119592125 YEILMMJPEPOWJH-ZETCQYMHSA-N 283.361 -0.643 50 20 CBGD COC(=O)C[C@H](C)C(=O)NNC(=O)C1CCOCC1 1119600688 LGEQGKWNCPFSOC-QMMMGPOBSA-N 272.301 -0.240 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)CN1C(=O)CCC1=O 1317702195 ATDCSVVSAJXJRD-UHFFFAOYSA-N 271.273 -0.309 50 20 CBGD Cn1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1=O 1318333872 XGIAPADEEMZOPK-UHFFFAOYSA-N 275.268 -0.888 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](C)C(C)(C)CN(C)C 1323691080 KFDVEZLADWBQQQ-MRVPVSSYSA-N 288.348 -0.534 50 20 CBGD CN1C(=O)CCc2cc(C=NNC(=O)C(N)=O)ccc21 1324136848 UHFKMEVMKVSPRH-UHFFFAOYSA-N 274.280 -0.469 50 20 CBGD Cn1nncc1NNC(=O)CCOC[C@H]1CCCO1 1325023643 UXZXRTWPOOLWQU-SECBINFHSA-N 269.305 -0.156 50 20 CBGD COC(=O)N(C)NC(=O)c1cn(Cc2noc(C)n2)nn1 1326042683 MFGXMFFORNTHEX-UHFFFAOYSA-N 295.259 -0.639 50 20 CBGD O=C(NNC(=O)c1ccnc2ccnn12)NC1CC1 1329207639 KNTFAGVGYIYDQM-UHFFFAOYSA-N 260.257 -0.164 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1ncc[nH]1 1329340125 VGICNVSFMGFSMI-HTQZYQBOSA-N 252.274 -0.475 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cncn1C 1330512723 HMPYVWFLXMVJMR-PSASIEDQSA-N 281.316 -0.325 50 20 CBGD COC(=O)C(=O)NN=Cc1ccc(S(C)(=O)=O)cc1 1339879125 NARGBOMOOZHUFS-UHFFFAOYSA-N 284.293 -0.287 50 20 CBGD Cn1nncc1NNC(=O)C1(C(=O)NC2CC2)CCC1 1347988560 VFJLJFSNDVRKCW-UHFFFAOYSA-N 278.316 -0.293 50 20 CBGD Cc1noc(C)c1CCC(=O)NNC(=O)[C@H]1CCC(=O)N1 1349543419 RFUPVCQHTVIVEW-SNVBAGLBSA-N 294.311 -0.350 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@]12CCNC2)c1cccc(F)n1 1574333700 HXTYBDTXJNCYDN-SDBXPKJASA-N 278.287 -0.019 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@H]1CC(C(=O)O)=NO1 1588660998 LUGWNMLSYAKLPP-ZCFIWIBFSA-N 288.329 -0.490 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@]1(C(=O)O)CCCO1 1588928233 VNFBXTDIVWFIOC-JTQLQIEISA-N 275.330 -0.476 50 20 CBGD C[C@@H](Cc1cccnc1)NC(=O)NNC(=O)C(=O)O 1592897509 CJAZLUFIEBYMET-ZETCQYMHSA-N 266.257 -0.572 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)c1cccc(Cl)n1 1593910807 AWRZZAQBULFAQQ-SSDOTTSWSA-N 287.659 -0.404 50 20 CBGD CO[C@](C)(C(=O)O)C(=O)NCCSS(C)(=O)=O 1593926051 WHPPSBZGQQFHBE-QMMMGPOBSA-N 285.343 -0.715 50 20 CBGD COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)C(=O)O)C2 1599241648 RELKQTAQPIBZCH-UWVGGRQHSA-N 269.301 -0.184 50 20 CBGD COc1cc2c(cc1C=NNC(=O)C(=O)O)OCO2 1599463603 PJAIKDPAGMQAJS-UHFFFAOYSA-N 266.209 -0.041 50 20 CBGD CNC(=O)C1(C(=O)NNc2ncccc2C(=O)O)CC1 1604232643 UXLFJSVMXHYYLJ-UHFFFAOYSA-N 278.268 -0.251 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNc1ncccc1[N+](=O)[O-] 1604435529 WENKGPNROSWDDE-LURJTMIESA-N 270.201 -0.468 50 20 CBGD CSCCNC(=S)NNC(=O)C(C)(C)C(=O)O 1604958902 YLFOYIAUPHUJRV-UHFFFAOYSA-N 279.387 -0.045 50 20 CBGD O=C(NCc1nc2c(s1)CCCC2)NNC(=O)C(=O)O 1608476444 OYQAIOGGHRALEN-UHFFFAOYSA-N 298.324 -0.063 50 20 CBGD CS(=O)(=O)CC(=O)NNc1ccc(C(=O)O)cn1 1610372571 QGDFDEPZFPCAON-UHFFFAOYSA-N 273.270 -0.733 50 20 CBGD CCN1CCC[C@H]1CNC(=S)NNC(=O)NC 63792219 ADRIVQOXQOLSJC-QMMMGPOBSA-N 259.379 -0.221 50 20 CBGD CC(C)NC(=O)NNC(=O)Cn1cc(C2CC2)nn1 151012663 XWBWOGIGPJNZFU-UHFFFAOYSA-N 266.305 -0.106 50 20 CBGD O=C1C[C@@H](C(=O)NNC(=O)CNc2ccccc2)CCN1 151325140 MUQLIUWOMOLTDB-JTQLQIEISA-N 290.323 -0.228 50 20 CBGD CN(NC(=O)[C@H]1COCCN1C1CCCC1)C(N)=O 193728157 GUEKZKQDVCIFQY-SNVBAGLBSA-N 270.333 -0.329 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCN(C(=O)COC)CC1 269449331 BXRLPIKBAKKQRE-PKNBQFBNSA-N 281.312 -0.252 50 20 CBGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CO)cc1 270796102 YLWJYZUPPNKKOF-VIFPVBQESA-N 282.296 -0.008 50 20 CBGD CC(=O)NNC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O 277121340 NTUJSJKQWIBOHN-AWEZNQCLSA-N 291.307 -0.439 50 20 CBGD CC(C)[C@H](O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 291476316 QALYPMFZMFOIJB-NEPJUHHUSA-N 294.307 -0.009 50 20 CBGD CN1C[C@H](C(=O)NNC(=O)c2ccccn2)CC1=O 298284810 JYYMWEQFSCKLBU-MRVPVSSYSA-N 262.269 -0.679 50 20 CBGD C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(B(O)O)c1 584910982 FGSUOXWZBCAPRG-NEPJUHHUSA-N 261.086 -0.104 50 20 CBGD CC(C)[C@@H]1CN(C)CCN1C(=O)c1ccc(B(O)O)cc1 584947941 ABBRNPCAOXQJGW-AWEZNQCLSA-N 290.172 -0.221 50 20 CBGD OCC1(CNCc2ccc(B(O)O)cc2F)CCOCC1 585029289 DWWDSRIPOUBLKM-UHFFFAOYSA-N 297.135 -0.616 50 20 CBGD CC(C)C(=O)NNC(=O)[C@H](C)N1CCN(C)CC1 725879238 DVBUKMKGDQLZPS-JTQLQIEISA-N 256.350 -0.574 50 20 CBGD COc1ccc(C(=O)NNC(=O)CNC(=O)O)c(OC)c1 737930210 MYSKSSGKOKZXAZ-UHFFFAOYSA-N 297.267 -0.268 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1cc(C)nn1C 748661588 MFBKQCLYKBKBRY-SECBINFHSA-N 299.331 -0.067 50 20 CBGD O=C(NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C1CCC1 748849153 JGMFACCQZXFIGK-VIFPVBQESA-N 291.311 -0.290 50 20 CBGD CN(C)CC(=O)NNC(=O)C[C@H]1CSCCS1 752623665 PQQMGWFHAKEIGA-QMMMGPOBSA-N 277.415 -0.066 50 20 CBGD NC(=O)c1ccc(CNC(=O)NNc2ncccn2)cn1 753953171 GJOTWVDDGJCHRK-UHFFFAOYSA-N 287.283 -0.203 50 20 CBGD Cc1nn(C)c(C)c1C(=O)NNC(=O)CN(C)C 757384959 XOBDBSMNTIJRKH-UHFFFAOYSA-N 253.306 -0.640 50 20 CBGD NC(=O)NCCC(=O)NN=c1cc[nH]cc1Cl 757406119 QYKWQRFVTIQPJV-UHFFFAOYSA-N 257.681 -0.342 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2coc(C(N)=O)c2)n[nH]1 760005720 VHMYLDVFEYNHCU-UHFFFAOYSA-N 277.240 -0.515 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1cccc(C(F)F)c1 764421078 FMJHMPFNMUZUSN-UHFFFAOYSA-N 287.222 -0.298 50 20 CBGD CN(NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)C(N)=O 770439677 SZCTYXBWPLTMSP-SECBINFHSA-N 268.317 -0.323 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H](CCO)C(C)C 771786241 RCRZGLSVOMYDQV-VHSXEESVSA-N 259.350 -0.071 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cn1cccn1 771915749 YVKBGVSEHIXLEC-MRVPVSSYSA-N 268.273 -0.628 50 20 CBGD C=CCOCC(=O)O[C@@H](C)C(=O)NNC(=O)CC 772093372 WHZKHVIUZKZLNJ-QMMMGPOBSA-N 258.274 -0.322 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CS(=O)(=O)C(C)C)n1 794079815 FHGNPVBIJSPNSC-UHFFFAOYSA-N 299.352 -0.026 50 20 CBGD CC1=C(C(=O)NNc2ncccn2)S(=O)(=O)CCO1 798280028 ZKPAMLMEGWQDJA-UHFFFAOYSA-N 284.297 -0.404 50 20 CBGD Cn1ccc(C=NNC(=O)CNC(=O)c2cccnc2)n1 814873605 JRCZFMWELIGMPY-UHFFFAOYSA-N 286.295 -0.305 50 20 CBGD C=C[C@@H](O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 816831345 OXLUFPSIRAYBFX-SECBINFHSA-N 278.264 -0.234 50 20 CBGD Cc1nn(C)cc1C1=NO[C@@H](C(=O)NN(C)[C@@H](C)CO)C1 823384307 HYVYUBDFPZWHCA-QPUJVOFHSA-N 295.343 -0.435 50 20 CBGD COC(=O)c1cc(C(=O)NN(C)[C@@H](C)CO)n(C)n1 823908114 TXHHIRVYTAKPBG-ZETCQYMHSA-N 270.289 -0.836 50 20 CBGD CC(C)S(=O)(=O)CC(=O)NN(C)[C@@H](C)CO 823970905 MTFAOIAHPKAGSG-QMMMGPOBSA-N 252.336 -0.847 50 20 CBGD O=C1N[C@H]2CN(S(=O)(=O)CCl)CC[C@@H]2CO1 828394994 DPYRNTBIBIFFLF-RQJHMYQMSA-N 268.722 -0.057 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H](O)C1CC1 831575248 CDKZKNQWQXBWCR-ZETCQYMHSA-N 263.388 -0.384 50 20 CBGD COC(=O)C1(CNC(=O)NNC(=O)[C@H]2CCCCO2)CC1 836412982 BPZLKPFLNNTHOY-SECBINFHSA-N 299.327 -0.161 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1=COCCO1 843640818 PWNFNBLWKUPLRG-SFYZADRCSA-N 256.258 -0.553 50 20 CBGD Cc1nn(C)cc1CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843657945 FKHADEDFYIQNGK-GXSJLCMTSA-N 280.328 -0.157 50 20 CBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1O2 845440982 ACKUKXGUYLBTOL-BBBLOLIVSA-N 296.327 -0.741 50 20 CBGD CN(C)CCn1ccc(C(=O)NNC(=O)C2CC2)n1 847284197 BNGXGBOQYZRLFI-UHFFFAOYSA-N 265.317 -0.384 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)C[C@H]1CC(=O)N1 854509971 GNOIARYSGZQHRZ-SNVBAGLBSA-N 291.307 -0.336 50 20 CBGD COC(=O)NNC(=O)C1CCN(C(=O)OC)CC1 856757622 QXDXYEMYYIVPQH-UHFFFAOYSA-N 259.262 -0.148 50 20 CBGD O=C(NNC(=O)[C@H]1CCNC1=O)c1cccc(Cl)n1 857324762 MOFSPHZGMASCCF-LURJTMIESA-N 282.687 -0.368 50 20 CBGD C[C@@H]1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)[C@@H]1C 858696397 KQSYTHRDUFQHKD-HLTSFMKQSA-N 268.317 -0.264 50 20 CBGD CN1C(=O)CN(CC(=O)NNc2cccc(F)n2)C1=O 861686640 QHHWXISJFUKOLC-UHFFFAOYSA-N 281.247 -0.442 50 20 CBGD C=CCC(F)(F)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862459887 BVCPAWVTBGYTSC-LURJTMIESA-N 261.228 -0.376 50 20 CBGD COC(=O)c1coc(C=NNC(=O)[C@H]2CCC(=O)N2)c1 863148288 YSJBENMBOHWMLO-SECBINFHSA-N 279.252 -0.205 50 20 CBGD CC(C)CCO[C@@H](C)C(=O)NNC(=O)CS(C)(=O)=O 863460797 MZIAZCOSAVLPGM-VIFPVBQESA-N 294.373 -0.370 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2c(O)cccc2O)N1 863935248 NAUOMXBGOMZHNU-ZCFIWIBFSA-N 279.252 -0.863 50 20 CBGD CC[C@]1(C(=O)NNC(=O)NCC2CC2)CCNC1=O 865015660 FXUQUAKLFKOADM-LBPRGKRZSA-N 268.317 -0.357 50 20 CBGD COC(=O)[C@@H](NNC(=O)C1CCOCC1)C1CC1 905816295 NJYXTZPEGAEFTA-JTQLQIEISA-N 256.302 -0.015 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)NC(C)C)c(C)[nH]1 914751261 RTEKXKURZXEBTI-UHFFFAOYSA-N 266.301 -0.083 50 20 CBGD O=C(NNc1ccccn1)N[C@@H]1CCS(=O)(=O)C1 915880396 LJRSXWVXXNXKQY-MRVPVSSYSA-N 270.314 -0.105 50 20 CBGD C=CCC1(O)CCN(C(=O)c2ccc(B(O)O)cc2)CC1 924428332 QZYNRQTZRSIGPM-UHFFFAOYSA-N 289.140 -0.090 50 20 CBGD Cn1nc(C(=O)NNC(=O)C(C)(C)O)cc1C(F)F 935564277 YTOCVGTVJMXHIC-UHFFFAOYSA-N 276.243 -0.110 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1CCc2c[nH]nc2C1 1116143119 PPNKIKLNVGZKKL-ZETCQYMHSA-N 251.290 -0.183 50 20 CBGD CC(=O)NNC(=O)c1ccc(CS(N)(=O)=O)cc1 1117778041 LSDYHSSPYDPWGL-UHFFFAOYSA-N 271.298 -0.744 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ncoc2C2CC2)N1 1119222323 SVLKOZZGQLETKO-ZETCQYMHSA-N 278.268 -0.408 50 20 CBGD CN(C)C(=O)CNC(=S)NNC(=O)N=c1cc[nH]cc1 1256381497 FDBBEIYFBKUXCB-UHFFFAOYSA-N 296.356 -0.908 50 20 CBGD C=C[C@H](COC)NC(=O)NNC(=O)[C@H]1CCO[C@H]1C 1261454085 XWOMTRWSVLWXFQ-AEJSXWLSSA-N 271.317 -0.057 50 20 CBGD CCc1cc(C(=O)NNc2nnc(C)c(O)n2)n[nH]1 1317803439 JCDFFIVYMYPZOV-UHFFFAOYSA-N 263.261 -0.072 50 20 CBGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)NCC(F)(F)F 1321299339 UAYGANDHCOPHMI-YFKPBYRVSA-N 297.237 -0.578 50 20 CBGD Cn1nncc1NNC(=O)CCn1ccccc1=O 1324568754 MVZOURCUPHRZSI-UHFFFAOYSA-N 262.273 -0.490 50 20 CBGD CC(C)NC(=S)NNC(=O)C1(O)CCOCC1 1325721885 HAGAZPHSWOTRDH-UHFFFAOYSA-N 261.347 -0.568 50 20 CBGD O=C(CCc1ccon1)NNC(=O)Cc1cc[nH]n1 1327902666 VADCWOGKDDIXSS-UHFFFAOYSA-N 263.257 -0.280 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@@H]1CCC(=O)[C@@H]1C 1329608877 PQGPVPFGCBAHNA-ZJUUUORDSA-N 286.328 -0.198 50 20 CBGD O=C(CCO)NNC(=O)Nc1cnn(CCF)c1 1331716017 HNZPUXWOHYXZFD-UHFFFAOYSA-N 259.241 -0.612 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1nccnc1C 1331822974 WTHQGYVEOULVEZ-UHFFFAOYSA-N 270.314 -0.330 50 20 CBGD CCn1nc(C)c(C(=O)NNC(=O)C2CCOCC2)n1 1333149518 QCCXVRXUJFJDBX-UHFFFAOYSA-N 281.316 -0.206 50 20 CBGD CNC(=O)NNC(=O)c1cncc(OCCOC)c1 1344657980 VPZGMDMDJRPAFM-UHFFFAOYSA-N 268.273 -0.319 50 20 CBGD CCn1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)n1 1346854931 GQKNSGFZNGPHGY-UHFFFAOYSA-N 279.300 -0.211 50 20 CBGD C[C@@H](NNC(=O)CCCN1C(=O)CNC1=O)C(F)(F)F 1348383009 GXXGNEPIYLNPSZ-ZCFIWIBFSA-N 296.249 -0.110 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCn2ccnc2C1 1352231127 SRAINTDMDZMWBO-NXEZZACHSA-N 252.318 -0.211 50 20 CBGD Cc1cc(Br)cnc1NNC(=O)[C@H](N)CO 1574126549 BLLMUZAKLOOEMU-SSDOTTSWSA-N 289.133 -0.085 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1cc(C(=O)O)nn1C 1574456768 RZZPKHGJOIVXIT-UHFFFAOYSA-N 291.267 -0.468 50 20 CBGD C[C@@]1(C(=O)NNC(=O)NCC2CC2)C[C@@H](N)CCO1 1576349687 GPPWJZUOERNOJZ-CABZTGNLSA-N 270.333 -0.377 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)C(C)(C)CN 1578071831 OGWRZZHACWXVIC-UHFFFAOYSA-N 275.349 -0.092 50 20 CBGD CCN1CC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1578217478 JTQNVBSWYBTRQS-VIFPVBQESA-N 288.315 -0.201 50 20 CBGD CCc1noc2ncc(C(=O)NNC(=O)[C@@H]3CCN3)cc12 1578336468 PZFBHTLVLPANQM-JTQLQIEISA-N 289.295 -0.092 50 20 CBGD NCC(=O)NNC(=O)c1ncccc1-c1ccccn1 1580213942 PNSYODONVZKRNN-UHFFFAOYSA-N 271.280 -0.137 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CO[C@@H](CCC(=O)O)C1 1593797453 IRDXBUSEAKIBAW-SFYZADRCSA-N 289.357 -0.276 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CC(n2cc(C(=O)O)nn2)C1 1596862078 MPRBJHIYBJASDE-BQYQJAHWSA-N 291.267 -0.196 50 20 CBGD O=C(NC[C@H]1C[C@H]1C(=O)O)NNC(=O)c1cccnn1 1601527447 DGDZMXGNVZBYCQ-RNFRBKRXSA-N 279.256 -0.859 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1C[C@@H]2CCCC[C@@H]21 1601553107 UNXBNOCSTQYSNJ-BIIVOSGPSA-N 255.274 -0.020 50 20 CBGD CCCNC(=O)NNC(=O)C1(CC(=O)O)CCOCC1 1603675953 SXHKWLBVHMOBCW-UHFFFAOYSA-N 287.316 -0.002 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@]1(C(=O)O)CCOC1 1603835471 VNOMMNYGZBKGBA-LXSSAFMLSA-N 254.242 -0.210 50 20 CBGD O=C(NCc1cc2c(nc1O)CCC2)NNC(=O)C(=O)O 1608462932 YOXVOUAWJUMWNW-UHFFFAOYSA-N 294.267 -0.809 50 20 CBGD COC(=O)[C@H](NNC(=O)C(=O)O)c1ccc(F)cc1 1610155417 FEZIEXJKVKXIDW-MRVPVSSYSA-N 270.216 -0.255 50 20 CBGD Cn1cc(C(=O)O)cc1C=NNC(=O)C(C)(C)O 1776054887 BKASDTMOZOZERI-UHFFFAOYSA-N 253.258 -0.056 50 20 CBGD O=C(NCC(=O)N1CCCC1)NNc1ncccn1 45429081 YYUCXTXZIIEXCJ-UHFFFAOYSA-N 264.289 -0.275 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)c2ccc[nH]2)cn1 122390535 WUWSGENABXFHTM-UHFFFAOYSA-N 273.252 -0.417 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@@H]1C1CC1)C(=O)N1CCCC1 175915349 DPCOCJJFXAYVSO-NXEZZACHSA-N 265.313 -0.198 50 20 CBGD O=C(CO)NNC(=O)c1c[nH]nc1-c1ccccc1 180959087 NRCMORZMJKIBJD-UHFFFAOYSA-N 260.253 -0.170 50 20 CBGD COC[C@@H](CNS(=O)(=O)CBr)OC 227983367 KSQGAAXPDJQSKR-ZCFIWIBFSA-N 276.152 -0.080 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@H]1CCc2[nH]ncc2C1 270111060 DOZBICZOEKIPLF-VIFPVBQESA-N 293.327 -0.412 50 20 CBGD COC(=O)C[C@@H](C)CC(=O)NNc1ccc(C(N)=O)nn1 289233092 DFRMEELRQNATOO-ZETCQYMHSA-N 295.299 -0.392 50 20 CBGD CN(NC(=O)Cn1cnnn1)C(=O)OC(C)(C)C 297647524 MFGUHPDLBMWWHZ-UHFFFAOYSA-N 256.266 -0.429 50 20 CBGD CN(C)C(=O)NNC(=O)CN1CCCCCC1=O 298294826 AQPFYCWGFSYODG-UHFFFAOYSA-N 256.306 -0.309 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1cc(C(=O)O)cs1 299463530 YKPDYLGBWUQHLH-UHFFFAOYSA-N 293.326 -0.089 50 20 CBGD Cc1noc(COCC(=O)Nc2cccc(B(O)O)c2)n1 584913118 OOORVKKXGAABLG-UHFFFAOYSA-N 291.072 -0.787 50 20 CBGD C[C@@H](C(=O)Nc1cccc(B(O)O)c1)[C@H](C)S(C)(=O)=O 584914323 UZFLSSAWEKQKTD-BDAKNGLRSA-N 299.157 -0.626 50 20 CBGD O=C(NCCCN1CCCC1)c1ccc(B(O)O)cc1 584925971 WCPAPSJMFCSKGN-UHFFFAOYSA-N 276.145 -0.418 50 20 CBGD CC(C)NC(=O)CCNC(=O)c1ccc(B(O)O)cc1 584931058 XOVAUTBRQJTDBF-UHFFFAOYSA-N 278.117 -0.989 50 20 CBGD Cc1noc(CCNC(=O)c2ccc(B(O)O)c(F)c2)n1 584938381 ZTVIGHTTYYBEAA-UHFFFAOYSA-N 293.063 -0.831 50 20 CBGD Cc1nc(CCCNC(=O)c2ccc(B(O)O)cc2)n[nH]1 584954452 LCBKVVSYKYMKQU-UHFFFAOYSA-N 288.116 -0.844 50 20 CBGD CN(C[C@H](O)C(F)(F)F)C(=O)c1cccc(B(O)O)c1 584970450 OSCWOPKDNXGROT-VIFPVBQESA-N 291.034 -0.638 50 20 CBGD O=C(NCCCCCO)c1cc(B(O)O)ccc1F 584983604 QDODFWXTLRXCPQ-UHFFFAOYSA-N 269.081 -0.602 50 20 CBGD CN(CC(C)(C)CO)C(=O)c1cc(B(O)O)ccc1F 584996162 ZGSGPQNQDOISTN-UHFFFAOYSA-N 283.108 -0.404 50 20 CBGD O=C(NCC[C@]1(O)CCCOC1)c1ccc(B(O)O)cc1 585004937 RZFKKIMZOSRFJZ-CQSZACIVSA-N 293.128 -0.972 50 20 CBGD COc1ccccc1[C@H](O)CNCc1ccc(B(O)O)o1 585018443 LOIUWOXDCPVAPG-GFCCVEGCSA-N 291.112 -0.209 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)o1)[C@@H](C)n1cccn1 585021388 JUUZHYLYNYKBBL-NXEZZACHSA-N 263.106 -0.105 50 20 CBGD CC(C)N1C[C@H](CNCc2ccc(B(O)O)o2)CC1=O 585043863 UTXFVZZNICVKHZ-JTQLQIEISA-N 280.133 -0.694 50 20 CBGD Cc1ccccc1C(=O)N[C@H](C(=O)NCB(O)O)C(C)C 585053986 FHEBUWPDOKCOMO-LBPRGKRZSA-N 292.144 -0.122 50 20 CBGD Cc1ccc(C(=O)N[C@H](C(=O)NCB(O)O)C(C)C)cc1 585054171 IWWFAAHFYVDKST-LBPRGKRZSA-N 292.144 -0.122 50 20 CBGD CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NCB(O)O 585059582 SXLBCWHIENTMKS-JGVFFNPUSA-N 274.151 -0.938 50 20 CBGD C[C@@H](Oc1cccnc1)C(=O)N1CC[C@@H](B(O)O)C1 585069280 KQGWDOYRHIVCNC-NXEZZACHSA-N 264.090 -0.076 50 20 CBGD CC(C)NC(=O)CNC(=S)NNC(=O)N(C)C 727278547 HDTIMPQTQKIQED-UHFFFAOYSA-N 261.351 -0.839 50 20 CBGD CN(C)c1nccc(NNC(=O)Cn2ccccc2=O)n1 740108220 URZPEXUBBQEXAL-UHFFFAOYSA-N 288.311 -0.152 50 20 CBGD COC(=O)c1cc(C=NNC(=O)C(=O)NC(C)C)c[nH]1 753164209 YNOWUCQZCIHZAZ-UHFFFAOYSA-N 280.284 -0.224 50 20 CBGD CCn1nccc1C=NNC(=O)C(=O)N1CCCC1 753697525 NVVAUHSRBSZHNJ-UHFFFAOYSA-N 263.301 -0.025 50 20 CBGD Cn1ccnc(NC(=O)NNC(=O)c2cccnc2)c1=O 757907446 URIQLSCYDQVDDS-UHFFFAOYSA-N 288.267 -0.358 50 20 CBGD CS[C@H](C)CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758035953 OQMPXBDGIVJKCU-RNFRBKRXSA-N 297.402 -0.787 50 20 CBGD COc1nccnc1NNC(=O)CCN1CCCC1=O 764469856 PYMCFUKFLNRSFT-UHFFFAOYSA-N 279.300 -0.059 50 20 CBGD CC(C)(C)[C@@H](O)C(=O)NNC(=O)N1CCOCC1 764934387 MVPKFLGUSCZZFF-QMMMGPOBSA-N 259.306 -0.534 50 20 CBGD CCC[C@@](C)(O)C(=O)NNC(=O)NCCCOC 770895923 YHRCHNVZQUYSBQ-LLVKDONJSA-N 261.322 -0.096 50 20 CBGD COCC[C@]1(NCC(=O)NNC(=O)C2CC2)CCOC1 773942397 CKZQTOZYXCHZSW-ZDUSSCGKSA-N 285.344 -0.671 50 20 CBGD O=C(CO)NNC(=O)CCCNC(=O)c1ccsc1 777782863 SZUPBUMTJCUDIR-UHFFFAOYSA-N 285.325 -0.602 50 20 CBGD COC(=O)CNC(=O)NNC(=S)NCCCSC 779721564 QSCCHHDVCSZLPW-UHFFFAOYSA-N 294.402 -0.409 50 20 CBGD COC(=O)CNC(=O)NN=Cc1ccc(C(N)=O)cc1 779824075 ZNIHODKOGPZZSQ-UHFFFAOYSA-N 278.268 -0.408 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cnc(OC)nc1 780711304 MGEPJONQCJRUMF-UHFFFAOYSA-N 253.262 -0.209 50 20 CBGD CC[C@H](CNC(=O)NNC(=O)[C@@H](C)OCCOC)OC 812589842 IRTPEMHBZPQLHM-NXEZZACHSA-N 291.348 -0.207 50 20 CBGD O=C(CCC(=O)N1CCOCC1)NNC(=O)CC1CC1 819140759 OLTNMNSLMWAHBM-UHFFFAOYSA-N 283.328 -0.427 50 20 CBGD CCN(CCO)NC(=O)Cn1ccc(C)cc1=O 823879682 RLBZYVWRJUBRMF-UHFFFAOYSA-N 253.302 -0.498 50 20 CBGD CO[C@@H]1COC[C@H]1NC(=O)NNC(=O)Cc1cccnc1 825906395 DFKWQMKFRXSTIB-GHMZBOCLSA-N 294.311 -0.632 50 20 CBGD CC(C)C1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)COC1 827015065 CUFHSDBMYVDBHQ-QMMMGPOBSA-N 269.301 -0.915 50 20 CBGD CCCONC(=O)NNC(=O)[C@@H](C)OCCOC 828283579 VKEJTUMHDJOMDO-MRVPVSSYSA-N 263.294 -0.290 50 20 CBGD C[C@H]1SCC[C@H]1NC(=O)NNC(=O)C(=O)NC1CC1 828525451 RJYWRVOVVZJCDR-HTRCEHHLSA-N 286.357 -0.511 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)[nH]1 843971797 RJIAKYOHLUIDRJ-SFYZADRCSA-N 295.295 -0.013 50 20 CBGD C=C[C@@H](C)ONC(=O)NNC(=O)[C@@H](C)OCCOC 845630544 RXCRGESHLALYOD-RKDXNWHRSA-N 275.305 -0.126 50 20 CBGD CCn1ncnc1C=NNC(=O)[C@@H](C)CN1CCOCC1 848401995 QMNRKWFUPVRKLV-NSHDSACASA-N 294.359 -0.284 50 20 CBGD O=C(COc1ccc(F)cc1)NNC(=O)[C@@H]1CCNC1=O 854218325 SXADGQDRANVKBP-SNVBAGLBSA-N 295.270 -0.512 50 20 CBGD CC1=NO[C@@H](C(=O)NNC(=O)[C@@H]2CCCCO2)C1 854682796 GUIBNTVFRTZGKE-DTWKUNHWSA-N 255.274 -0.132 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@H]1CC[C@H]1C(N)=O)C1CC1 855097872 ZCMWGLOXTRHHQZ-ZQARSLAVSA-N 284.385 -0.208 50 20 CBGD COCC(=O)N(C)CC(=O)NN[C@H](C)C(F)(F)F 862314508 CWXIPTAVZIJHBI-ZCFIWIBFSA-N 271.239 -0.337 50 20 CBGD CO[C@](C)(C(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CC1 862461959 NOLDOHSUOVTFSB-PELKAZGASA-N 269.301 -0.773 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2c(O)cccc2F)N1 862462693 ZOXRRJMLCFTFMU-ZETCQYMHSA-N 281.243 -0.429 50 20 CBGD C[C@H]1CC(=NNC(=O)[C@@H]2CCC(=O)N2)CN1C1CC1 863148665 HLIJNMYAJXXWLT-KWQFWETISA-N 264.329 -0.006 50 20 CBGD CCOC(=O)[C@H](C)CNC(=O)c1cc(B(O)O)ccc1F 863877346 WULVZODXAPYKMP-MRVPVSSYSA-N 297.091 -0.566 50 20 CBGD COc1cccnc1C(=O)NNC(=O)N1CCN(C)CC1 868120532 HMHPRKRUWHVCRR-UHFFFAOYSA-N 293.327 -0.308 50 20 CBGD COCCOCC(=O)NNC(=O)C1(CC(C)=O)CCC1 869907017 ZBDGZNCNPZUKNC-UHFFFAOYSA-N 286.328 -0.054 50 20 CBGD CCO/C=C(/C#N)C(=O)N1[C@@H](CO)CC[C@@H]1CO 912234701 RHKAIFZNYFJOAC-DLXGREBBSA-N 254.286 -0.225 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)C1[C@@H]2CCC[C@@H]12 913731870 ZLVWKPHGHLZBLJ-RKDXNWHRSA-N 265.313 -0.198 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccc(CC(=O)O)cc1 915934433 ALFSCQMTYYWBIO-UHFFFAOYSA-N 263.253 -0.361 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CCCN(C(C)=O)C1 920858244 UXOOQKBGOQWGKN-VIFPVBQESA-N 256.306 -0.405 50 20 CBGD CN1CC[C@H]1CNC(=O)NNC(=O)Cc1ccncc1 925413359 JZNJCHMXJLKZHK-NSHDSACASA-N 277.328 -0.341 50 20 CBGD Nc1cnnc(NNC(=O)[C@@H]2C[C@H]3C[C@H]3N2)c1Cl 1118268311 WKZIAOFTYCWQFS-QXRNQMCJSA-N 268.708 -0.094 50 20 CBGD Cn1nncc1NNC(=O)CCCNC(=O)C1CC1 1261245530 FVFUXWQSJIGSLE-UHFFFAOYSA-N 266.305 -0.435 50 20 CBGD C[C@]1(NNC(=O)N[C@@H]2CCOC2)CCS(=O)(=O)C1 1319658529 VOYLCVHTSOQXDK-SCZZXKLOSA-N 277.346 -0.844 50 20 CBGD Cc1cccc(F)c1NC(=O)C(=O)NNC(=O)CCO 1320240816 IMPLSZDVVXKALC-UHFFFAOYSA-N 283.259 -0.398 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccnn2C)o1 1320358778 XQARCGFGVTYYMW-UHFFFAOYSA-N 291.267 -0.279 50 20 CBGD CC(C)n1ccc(NC(=O)NNC(=O)CCO)n1 1321106782 MXKWVYTXWJYIOI-UHFFFAOYSA-N 255.278 -0.001 50 20 CBGD Cn1nnc2c1C[C@H](C(=O)NNc1ncc(F)cn1)CC2 1324315229 AGLVDUDYNHIUAI-SSDOTTSWSA-N 291.290 -0.008 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2nnnn2CC1)NC1CC1 1326495750 BKCRKIXFADPLIS-SSDOTTSWSA-N 279.304 -0.882 50 20 CBGD CCn1nncc1CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1332649089 BKVKUBOZQTWIBG-PSASIEDQSA-N 296.331 -0.447 50 20 CBGD COC(=O)NNC(=O)c1cccn2c(O)nnc12 1338025629 YOJRMEBWVXYMPN-UHFFFAOYSA-N 251.202 -0.564 50 20 CBGD C[C@H]1CCOCCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1339908346 UNOSGZJKCUENIM-IUCAKERBSA-N 284.316 -0.883 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cn(C)cn1 1341306799 BUCDTBALFKDLQY-WPRPVWTQSA-N 281.316 -0.325 50 20 CBGD O=C(/C=C\c1nccs1)NNC(=O)C(=O)N1CCCC1 1346271030 DPOXWRPBOJMKSQ-ARJAWSKDSA-N 294.336 -0.074 50 20 CBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)CC1CC1 1347017266 UJNHNAABZVBEQH-ONGXEEELSA-N 266.345 -0.678 50 20 CBGD C[C@H](C(=O)NNC(=O)c1cnn(C)c1)[C@@H]1CCC(=O)N1 1351441340 GWQATDDGSDHXAW-CBAPKCEASA-N 279.300 -0.904 50 20 CBGD O=S(=O)(Cc1ccon1)N1CC[C@@H](B(O)O)C1 1351729129 MWXBHLDHLMYNGL-SSDOTTSWSA-N 260.080 -0.947 50 20 CBGD CCCN(CC(=O)O)[C@H](C)C(=O)NNC(=O)CC 1589667635 GYFKZBQILKUNHK-MRVPVSSYSA-N 259.306 -0.271 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cnc(C(=O)O)cn1 1593456466 HCNVEKCEFIOANO-LURJTMIESA-N 254.246 -0.868 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNC(=O)NCc1ccco1 1593908568 HYBTULAEKYGPEU-ZETCQYMHSA-N 271.229 -0.790 50 20 CBGD O=C(O)C[C@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 1594984615 PPCRQKFJJUEORR-GFCCVEGCSA-N 291.112 -0.164 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1coc(-c2nn[nH]n2)c1 1603699275 FSHZWSSTBSADIN-LURJTMIESA-N 266.261 -0.583 50 20 CBGD Cc1ccsc1CNC(=O)NNC(=O)C(=O)O 1607899937 PWZHMASNUJVPFC-UHFFFAOYSA-N 257.271 -0.028 50 20 CBGD O=C(NCCC1CC(F)(F)C1)NNC(=O)C(=O)O 1608438320 FPDZJVMHCTXFKK-UHFFFAOYSA-N 265.216 -0.163 50 20 CBGD CC(=O)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841349640 FFAYBMBBSAUUDX-VIFPVBQESA-N 288.731 -0.622 50 20 CBGD O=C(COC1CCCC1)NNC(=O)C(=O)NC1CC1 44350001 ZDHNFOSDNBRVJZ-UHFFFAOYSA-N 269.301 -0.628 50 20 CBGD CCN1C[C@H](C(=O)NNC(=O)Cc2cccnc2)CC1=O 103423938 TWOLLIYPVIPRRM-LLVKDONJSA-N 290.323 -0.360 50 20 CBGD O=C1NCCCC[C@H]1NS(=O)(=O)CBr 126694811 QYQJHOGZWNXEBR-ZCFIWIBFSA-N 285.163 -0.073 50 20 CBGD O=C(CO)NNC(=O)c1ccc([N+](=O)[O-])cc1F 180948627 ZPBVPPXAQQOTKI-UHFFFAOYSA-N 257.177 -0.513 50 20 CBGD CCCc1cc(NC(=O)NNC(=O)CO)n(C)n1 183723171 FTVMGRGDGWRURB-UHFFFAOYSA-N 255.278 -0.482 50 20 CBGD CC(C)OC(=O)/C(C#N)=C\c1cn(C)c(=O)n(C)c1=O 255893301 LNBZMUJYWMNLOG-UITAMQMPSA-N 277.280 -0.057 50 20 CBGD CN1CCC[C@H]1C(=O)NNC(=O)Cc1cccnc1 264169881 VOHRNROTCSPKQC-NSHDSACASA-N 262.313 -0.134 50 20 CBGD CCc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)c(O)c1 276054138 BGVGAPSPDKPZMH-UHFFFAOYSA-N 291.307 -0.006 50 20 CBGD C=CCNC(=S)NNC(=O)C(C)(C)N1CCOCC1 282865487 RFDVNNQVFFXOFD-UHFFFAOYSA-N 286.401 -0.222 50 20 CBGD C#CCO[C@H](C)C(=O)NNC(=O)C(=O)NC(CC)CC 294850701 GIAHROQMBHGPRA-SECBINFHSA-N 283.328 -0.523 50 20 CBGD COC(=O)NCC(=O)NNC(=O)COc1ccccc1F 299175429 WYOPOPFLJTYVQT-UHFFFAOYSA-N 299.258 -0.292 50 20 CBGD O=S(=O)(CCCCl)N(CCO)CCCO 385346002 NUOWIHPSKRSIJR-UHFFFAOYSA-N 259.755 -0.378 50 20 CBGD COC(=O)NNC(=O)CNc1ccccc1C(N)=O 496147742 QUCQDVGHUNWSRP-UHFFFAOYSA-N 266.257 -0.415 50 20 CBGD COCCCN(C)C(=O)c1cc(B(O)O)ccc1F 584935348 HMRLLHQOHRIAFR-UHFFFAOYSA-N 269.081 -0.386 50 20 CBGD O=C(NC[C@@H](O)C1CCCC1)c1cc(B(O)O)ccc1F 584960725 UBBUPGRQNJXSEA-CYBMUJFWSA-N 295.119 -0.214 50 20 CBGD C[C@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)[C@@H]1CO 584970215 MSUUAEUDOVEIPG-TVQRCGJNSA-N 295.119 -0.262 50 20 CBGD CC[C@]1(CO)CCCN1C(=O)c1cc(B(O)O)ccc1F 584979528 WMBBNTOXQDABAY-CQSZACIVSA-N 295.119 -0.117 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@H](O)CC1 584994210 DQAKIEUDFJEVBV-LBPRGKRZSA-N 263.102 -0.647 50 20 CBGD CN(CCCCNC(=O)c1cccc(B(O)O)c1)C1CC1 584998951 TWIWOWUOYFAEMF-UHFFFAOYSA-N 290.172 -0.029 50 20 CBGD O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1ccc(B(O)O)c(F)c1 585005213 BIDYTQBGDLPJIQ-VXGBXAGGSA-N 293.103 -0.461 50 20 CBGD CN1CC[C@@H](N(C)C(=O)c2cc(B(O)O)ccc2F)C1 585009427 UZUNQKJCDDQKJI-SNVBAGLBSA-N 280.108 -0.718 50 20 CBGD CC(C)CC[C@@H](CO)NC(=O)c1cccc(B(O)O)c1 585010689 WWNVWQHVMZMDME-ZDUSSCGKSA-N 279.145 -0.107 50 20 CBGD Cc1noc(C)c1CCNCc1ccc(B(O)O)o1 585022256 VRIXOXGKDVGGSZ-UHFFFAOYSA-N 264.090 -0.103 50 20 CBGD CC(C)(O)CSCCNCc1ccc(B(O)O)o1 585023774 PXPVTBGGPKNGPU-UHFFFAOYSA-N 273.163 -0.447 50 20 CBGD C[C@H](CCO)CNCc1ccc(B(O)O)cc1F 585027024 NHSRFCRITUONMW-SECBINFHSA-N 255.098 -0.386 50 20 CBGD C[C@@H]1CCN(CCNCc2ccc(B(O)O)cc2F)C1 585034489 PVMXZZTYEAMODJ-LLVKDONJSA-N 280.152 -0.063 50 20 CBGD C[C@@H](NCc1ccccc1B(O)O)c1ncn(C)n1 585037368 VOAURXGLIHUNMS-SECBINFHSA-N 260.106 -0.654 50 20 CBGD COc1cc(OC)c(C(=O)NCB(O)O)cc1OC 585053711 BYOCXRNWIAORTG-UHFFFAOYSA-N 269.062 -0.546 50 20 CBGD O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NCB(O)O 585063093 ZBTUAKBRLKZVGG-FPYGCLRLSA-N 288.112 -0.280 50 20 CBGD CN(C)CC(=O)NN=Cc1ccc(OCC(N)=O)cc1 727647681 CFFKPONDAXJWDU-UHFFFAOYSA-N 278.312 -0.438 50 20 CBGD CN(C)CC(=O)NNC(=O)CCOC[C@H]1CCCO1 733359248 JJDFWOIJNJKSNX-SNVBAGLBSA-N 273.333 -0.719 50 20 CBGD O=C(CN1CCC[C@H](OCCO)C1)NNC(=O)C1CC1 734485449 ITDMEJLMDZNKTL-NSHDSACASA-N 285.344 -0.983 50 20 CBGD O=C(NNc1cccnn1)C1(C(=O)NC2CC2)CC1 736710815 NUXIKSKKSDKSEW-UHFFFAOYSA-N 261.285 -0.022 50 20 CBGD COc1cccc(-c2cc(C(=O)NNC(=O)CO)n[nH]2)c1 753436690 BNMPKVYFTWVFFR-UHFFFAOYSA-N 290.279 -0.161 50 20 CBGD C[C@@H](CC(=O)NNC(=O)CO)NC(=O)OC(C)(C)C 753444274 IGRNAQOECPEMAD-ZETCQYMHSA-N 275.305 -0.571 50 20 CBGD COCCOc1cccc(CC(=O)NNC(=O)CO)c1 753445427 IWDKAXUJHYJLQE-UHFFFAOYSA-N 282.296 -0.606 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1cnns1 755363813 PIUFKCHHHOOTIB-ZCFIWIBFSA-N 289.317 -0.258 50 20 CBGD COC(=O)CCC(C)=NNC(=O)[C@@H](C)NS(C)(=O)=O 756888570 DKKVQISFTOTWKV-MRVPVSSYSA-N 293.345 -0.631 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCc2c[nH]nc2C1 758906812 XBSZXZBITHBKBY-SECBINFHSA-N 281.316 -0.366 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)C)CC(C)(CO)CO 759168828 RPUDQZLKOCSSHT-UHFFFAOYSA-N 289.376 -0.897 50 20 CBGD O=C(Cn1cc([N+](=O)[O-])cn1)NNc1ncc(F)cn1 760923383 VLRTWXTULRUGEQ-UHFFFAOYSA-N 281.207 -0.136 50 20 CBGD CCCCNC(=O)NNC(=O)Cn1cc([C@@H](C)O)nn1 763031352 WLLXDMYXAXGGFO-MRVPVSSYSA-N 284.320 -0.538 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cnn3ncccc23)cn1 765339723 LRTAMMWPIYFQHG-UHFFFAOYSA-N 285.267 -0.462 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)C(C)C)on1 777840737 JJCWRDHYFIMMKZ-UHFFFAOYSA-N 255.230 -0.122 50 20 CBGD CCNC(=O)N(C)NC(=O)c1c([N+](=O)[O-])cnn1C 780709811 PAXFZVVLBIUUFB-UHFFFAOYSA-N 270.249 -0.366 50 20 CBGD Cc1cccnc1C=NNC(=O)[C@@H](C)NS(C)(=O)=O 781592368 AKZOIGLTOUOROG-SECBINFHSA-N 284.341 -0.222 50 20 CBGD C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)Cc2cc[nH]n2)O1 800485692 NAUZKVRDNNNMOM-SOCHQFKDSA-N 266.301 -0.087 50 20 CBGD C[C@@H](C(=O)NNC(=O)N=c1cc[nH]cc1)S(C)(=O)=O 802032310 PPXJMNSMCYTHGF-ZETCQYMHSA-N 286.313 -0.911 50 20 CBGD Cn1cc(C(=O)NNC(=O)CC2CC2)c(O)nc1=O 819105061 WWJLOLGSULTBDX-UHFFFAOYSA-N 266.257 -0.953 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@H]1CCCc2nn[nH]c21 824404369 OWKSXASYWYUHLO-ZETCQYMHSA-N 266.305 -0.037 50 20 CBGD C[C@@H]1C[C@@H](CN)CN1CC(=O)NNC(=O)C1CC1 843363065 YGFLENDQBVPJAH-BDAKNGLRSA-N 254.334 -0.787 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)COC[C@H]1CCCO1 843651128 LQWIPQKAZAKCAS-AXFHLTTASA-N 286.328 -0.246 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc2n(n1)CCCO2 843655106 HYGUKAJQWCRCCF-BDAKNGLRSA-N 294.311 -0.148 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C(C)(C)CO 847517722 FWAFZHIFPVELLI-UHFFFAOYSA-N 273.333 -0.543 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cccc(F)n2)N1 856421761 FWQVJQXOESALTP-SSDOTTSWSA-N 266.232 -0.740 50 20 CBGD C[C@H](N)CCNC(=O)NNC(=O)[C@H]1CCCCO1 857109050 HCDVPESURGRAKU-DTWKUNHWSA-N 258.322 -0.377 50 20 CBGD CS(=O)(=O)N1CCC[C@H](C(=O)NNc2cccnn2)C1 860752147 NTAYEBLNAXZVAT-VIFPVBQESA-N 299.356 -0.409 50 20 CBGD Cc1ccnn1CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 862095812 PPONYEYWPYEHTM-NXEZZACHSA-N 266.301 -0.236 50 20 CBGD COc1csc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862457038 ZGTRVQKVZMYONP-ZETCQYMHSA-N 283.309 -0.204 50 20 CBGD O=C(CSC1CC1)NNC(=O)[C@@H]1CCC(=O)N1 862458685 CRVUOLGHHQGFJU-ZETCQYMHSA-N 257.315 -0.692 50 20 CBGD CCC[C@H](OCC)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862464376 XQXVPVXHUBCWAL-IUCAKERBSA-N 271.317 -0.382 50 20 CBGD CCC(=NNC(=O)CS(C)(=O)=O)c1ccn(C)n1 863187137 ZIBTVKUGTAGWGK-UHFFFAOYSA-N 272.330 -0.305 50 20 CBGD C[C@@H]1CCN(S(=O)(=O)NNC(=O)c2cn[nH]c2)C1 863413990 PJCSLMAQSMNPGK-SSDOTTSWSA-N 273.318 -0.769 50 20 CBGD CCCN(CC(=O)OCC)C(=O)c1ccc(B(O)O)cc1 863872368 FMKRDKYFCGPHGO-UHFFFAOYSA-N 293.128 -0.218 50 20 CBGD COC(=O)CC1(NC(=O)c2ccc(B(O)O)cc2)CCC1 863876523 DQMUXQQNUKARQY-UHFFFAOYSA-N 291.112 -0.418 50 20 CBGD O=C(c1cccc(B(O)O)c1)N(CCCO)C1CC1 867091650 QHNFIWFPKWUCNK-UHFFFAOYSA-N 263.102 -0.647 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)cn1 906732420 VNOLTYGRLNSOSV-FKTZTGRPSA-N 262.269 -0.594 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccn(CCN(C)C)n1 910145343 AHIVSQOQZIVHOK-JTQLQIEISA-N 269.349 -0.598 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NNC(=O)C1CC1 913248067 XHNXXIPXCIPEGO-VIFPVBQESA-N 255.318 -0.488 50 20 CBGD CC(Cl)(Cl)C(=O)NNC(=O)CN1CCCC1=O 913731958 BXBCNMOFZHDCLG-UHFFFAOYSA-N 282.127 -0.050 50 20 CBGD CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 920432606 CWJNWZOKRZVPFH-DTWKUNHWSA-N 269.301 -0.819 50 20 CBGD CCOCC(=O)NNC(=O)NCCO[C@@H]1CCOC1 927516184 WZNASMPRHGFYCY-SECBINFHSA-N 275.305 -0.841 50 20 CBGD CC(C)C(=O)NNC(=O)C1(S(C)(=O)=O)CCOCC1 1117697867 PPPVKVLSPRFXHV-UHFFFAOYSA-N 292.357 -0.616 50 20 CBGD O=C(NNc1ncccn1)[C@H]1CCCS1(=O)=O 1118378786 RWZPAAHSABTRPC-SSDOTTSWSA-N 256.287 -0.503 50 20 CBGD CS(=O)(=O)CCC(=O)NNC(=O)CC(F)(F)F 1317912059 KCROOTNTYWEFQW-UHFFFAOYSA-N 276.236 -0.479 50 20 CBGD C[C@H](C(=O)NNC(=O)c1ccncc1)S(C)(=O)=O 1318981543 JHOQQNOLDREWBA-SSDOTTSWSA-N 271.298 -0.724 50 20 CBGD COCC(=O)NNc1nc(O)c2cnn(C)c2n1 1319288798 FGERUNYKOPSLSY-UHFFFAOYSA-N 252.234 -0.842 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC1(C2CC2)CC1 1320097787 HESPMPGHBNTQLW-UHFFFAOYSA-N 255.274 -0.320 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cnn(C)c1C(F)(F)F 1320523510 BYIUIPCTIAUMAM-UHFFFAOYSA-N 293.205 -0.455 50 20 CBGD COC(=O)C(=O)NN=Cc1cnc([C@@H](C)O)s1 1320865028 HHBVYZNYEAHASO-RXMQYKEDSA-N 257.271 -0.181 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)Sc1nnc(CC#N)n1C 1321219075 AQPDPYBQUQSNBG-SSDOTTSWSA-N 296.356 -0.081 50 20 CBGD O=C1C[C@@H](C(=O)NNC(=O)NCC2CC2)CCN1 1322556939 JFYUTXYDSOLHEZ-QMMMGPOBSA-N 254.290 -0.747 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ncc(F)cc1F 1326340890 GIXDKFKSUYPJAI-UHFFFAOYSA-N 286.238 -0.355 50 20 CBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC2(CC2)C1 1330117928 BVNYFNIDUOAFBI-MRVPVSSYSA-N 286.353 -0.241 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2CCC(F)(F)C2)N1 1331298467 VLDXYFXJLQVQHI-NKWVEPMBSA-N 290.270 -0.217 50 20 CBGD C[C@H]1C[C@@H](C(=O)NNC(=O)CN2CCCC2=O)CCO1 1332708347 UIQYBVSMXVEJET-UWVGGRQHSA-N 283.328 -0.429 50 20 CBGD O=C(NNC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ncccn1 1336464460 IPKINHZCLMEIGS-QMMMGPOBSA-N 289.295 -0.752 50 20 CBGD C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNC(=O)C(=O)OC 1339789325 UFASRBZOBDCFNV-RKDXNWHRSA-N 285.300 -0.529 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@@H]1CCCOC1 1344367163 SWJNBIOXISEQIQ-VIFPVBQESA-N 271.317 -0.525 50 20 CBGD COCCN1CC[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)C1 1351341945 STQABOFBCDCSBV-SNVBAGLBSA-N 296.331 -0.926 50 20 CBGD CN(C[C@H]1CCCN1C)C(=O)NNC(=O)c1cccnn1 1353042900 GGZZVSSSJOYGQX-SNVBAGLBSA-N 292.343 -0.143 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@H](C(=O)O)C2CC2)n[nH]1 1574326840 YZGNGFIRKMFUSI-SNVBAGLBSA-N 280.284 -0.481 50 20 CBGD C[C@@H](N)[C@@H](C)C(=O)NCCSS(C)(=O)=O 1576089352 WLPZGAKFVJTHSM-RNFRBKRXSA-N 254.377 -0.221 50 20 CBGD NCCCCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1580293319 PPPJVDFXTFAFIA-VIFPVBQESA-N 285.348 -0.886 50 20 CBGD CC(=O)N(C)CC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1588800958 AYNNKLQGMSNXFT-UHFFFAOYSA-N 290.287 -0.817 50 20 CBGD O=C(NNC(=O)c1cccc(-c2nn[nH]n2)n1)c1cc[nH]n1 1593158936 NBPRJRZIRRWOBF-UHFFFAOYSA-N 299.254 -0.940 50 20 CBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)Cc1cccnc1 1594228164 MLIUTNSHICOVIL-OQPBUACISA-N 277.280 -0.118 50 20 CBGD O=C(NNC(=O)C1CC1)C(=O)Nc1ccccc1C(=O)O 1594783203 VVRCBOPGFPCIIM-UHFFFAOYSA-N 291.263 -0.119 50 20 CBGD COc1ccccc1[C@@H]1C[C@H]1NC(=O)NNC(=O)C(=O)O 1599718930 JXBKURARWDZMHA-DTWKUNHWSA-N 293.279 -0.034 50 20 CBGD O=C(C[C@@H]1NC(=O)NC1=O)NNc1cccc(C(=O)O)c1 1601352837 QCRTVYKABAIUGK-QMMMGPOBSA-N 292.251 -0.574 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CCC[C@@H](C(=O)O)C2)N1 1602637721 FADROUVSADEQDO-IWSPIJDZSA-N 297.311 -0.697 50 20 CBGD CC[C@H](CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)C(=O)O 1603560457 AEJFMSVCFWPJOT-HLTSFMKQSA-N 287.316 -0.147 50 20 CBGD COC(=O)CNC(=O)NN=C(C)c1cncc(C(=O)O)c1 1776052476 OKIFCVWSSVBPKR-UHFFFAOYSA-N 294.267 -0.024 50 20 CBGD O=C(NCc1ccco1)NNC(=O)C(=O)NC1CC1 48455508 SFDSHOJBPRTIPU-UHFFFAOYSA-N 266.257 -0.611 50 20 CBGD CNC(=O)NNC(=O)c1cnn(C)c1-n1cccc1 48950568 OTFXNMYJMKQVBC-UHFFFAOYSA-N 262.273 -0.215 50 20 CBGD CCNC(=O)NNC(=O)c1cccc(OCC(N)=O)c1 49165119 GQHNRDXZEMELLM-UHFFFAOYSA-N 280.284 -0.485 50 20 CBGD CNC(=O)NNC(=O)Cn1c(=O)n(C)c2ccccc21 56375810 QHNAKRZXDDYSAL-UHFFFAOYSA-N 277.284 -0.700 50 20 CBGD CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)C1CCC1 264672713 HBVCPJURNMXPSU-SNVBAGLBSA-N 253.302 -0.055 50 20 CBGD CC(C)(O)C(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1 276313515 VKZNHUIBRKZCII-UHFFFAOYSA-N 297.267 -0.108 50 20 CBGD C[C@H](O)C(=O)NNC(=O)COc1ccc(F)cc1 281170871 IVCFADXOIQKSSZ-ZETCQYMHSA-N 256.233 -0.267 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)c1ncnc2nc[nH]c12 299209888 CARVIHXAMVLKRQ-UHFFFAOYSA-N 289.299 -0.654 50 20 CBGD O=S(=O)(CCCCl)NCCn1ncnn1 379967981 MIZZSJHPVBYMIT-UHFFFAOYSA-N 253.715 -0.779 50 20 CBGD CC[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CCO1 584926762 ATYVEGZWYBTRSO-JTQLQIEISA-N 281.092 -0.244 50 20 CBGD C[C@@H]1OCC[C@@]1(C)NC(=O)c1ccc(B(O)O)c(F)c1 584973075 LDFQAHHKYWDJBG-ISVAXAHUSA-N 281.092 -0.197 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCOC(F)(F)C1 584991824 DGQKKPACPPHWGJ-UHFFFAOYSA-N 271.028 -0.568 50 20 CBGD C[C@]1(CNC(=O)c2cccc(B(O)O)c2)CCC(=O)NC1 585002863 CMNBOHQCIZEIOB-AWEZNQCLSA-N 290.128 -0.988 50 20 CBGD Cc1nnc(CN(C)C(=O)c2ccc(B(O)O)cc2)o1 585006250 KADPWCUBAMNPAD-UHFFFAOYSA-N 275.073 -0.670 50 20 CBGD OB(O)c1ccccc1CN[C@@H]1COc2ccccc2[C@H]1O 585041077 MUEIHFSQOKYKEV-GDBMZVCRSA-N 299.135 -0.049 50 20 CBGD Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCB(O)O)cc1C 585054117 IIMMWAAMBSZRGA-UHFFFAOYSA-N 288.090 -0.498 50 20 CBGD Cc1ccc(Nc2cccc(C(=O)NCB(O)O)c2)nn1 585060769 YDLXZGVHDKSGCY-UHFFFAOYSA-N 286.100 0.270 50 20 CBGD CC(C)NC(=O)C(=O)NN=C1CCCS(=O)(=O)C1 731924449 BRDZDAFOONTUFT-UHFFFAOYSA-N 275.330 -0.808 50 20 CBGD O=C(COC[C@@H]1CCCO1)NNC(=O)N1CCOCC1 733257266 WKKLUKHIYYFNDW-JTQLQIEISA-N 287.316 -0.745 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)C[C@@H]1CCCCO1 740811406 FZBOIHFCGXPWCZ-QMMMGPOBSA-N 265.335 -0.339 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cc[nH]c1 745203155 FOXMTWIRSIFWRE-SSDOTTSWSA-N 258.303 -0.598 50 20 CBGD C[C@]1(NNC(=O)N[C@@H]2CCSC2)CCS(=O)(=O)C1 745899290 MFFRPWVZTGVGQQ-SCZZXKLOSA-N 293.414 -0.127 50 20 CBGD CS(=O)(=O)c1cccc(NC(=O)NNC(=O)CO)c1 755557694 NMAQYYPZOJISCH-UHFFFAOYSA-N 287.297 -0.765 50 20 CBGD CC[C@H](SC)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758030314 PQLBMLMQJFTSHJ-RQJHMYQMSA-N 297.402 -0.787 50 20 CBGD CCNC(=O)CCC(=O)NNc1ncc(F)cn1 762099606 QKIBWXHZFJWZLK-UHFFFAOYSA-N 255.253 -0.025 50 20 CBGD O=C(NNC(=O)[C@H](O)c1cccnc1)c1ccncc1 764581664 WOWKAAJHVPNQET-LLVKDONJSA-N 272.264 -0.029 50 20 CBGD Cn1nnc(CNC(=O)NNC(=O)c2ccccc2F)n1 787440028 GWPZHJFMGUJOQT-UHFFFAOYSA-N 293.262 -0.507 50 20 CBGD Cn1nncc1NC(=O)NNc1ncc(F)cn1 809909003 MEPGMEOTLLNETN-UHFFFAOYSA-N 252.213 -0.107 50 20 CBGD CNC(=O)NCCC(=O)NNC(=O)C1CCCC1 814300923 UKETZJVQOQRRQW-UHFFFAOYSA-N 256.306 -0.357 50 20 CBGD CC(=NNC(=O)C(N)=O)c1cc(C(=O)O)cs1 814695541 HFVJKSDRJGEQOQ-UHFFFAOYSA-N 255.255 -0.228 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ccn(C)n1 814762759 JSVIUHMSCMBVKY-NSHDSACASA-N 279.344 -0.162 50 20 CBGD COC(=O)[C@H]1C[C@H](NC(=O)NNC(=O)[C@H]2CCCCO2)C1 824166621 LRZMIPYMZMUCJQ-OPRDCNLKSA-N 299.327 -0.163 50 20 CBGD CC(=O)NCCCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 825589899 GGGGHXKLXNLWNT-SCZZXKLOSA-N 286.332 -0.732 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H]1CCCO1 826897213 GYCAVGBUOQGBBE-BBBLOLIVSA-N 271.317 -0.079 50 20 CBGD O=C(NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1)c1cnn[nH]1 833149443 QKGVOQCZESMCPM-RQJHMYQMSA-N 281.272 -0.543 50 20 CBGD CCCc1c(C(=O)NNC(=O)CO)[nH]c(C)c1C(=O)O 833652998 LRKGILFAJWIXOW-UHFFFAOYSA-N 283.284 -0.273 50 20 CBGD C=CCn1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)nn1 843657175 DJFPGXKJKPSVBW-RKDXNWHRSA-N 279.300 -0.350 50 20 CBGD COc1coc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1=O 843657287 QDUNSDVVPDHCQQ-HTQZYQBOSA-N 296.279 -0.166 50 20 CBGD CCONC(=O)CNC(=O)NNc1nc(C)cc(C)n1 845556326 WHUNCOFYPZAWQU-UHFFFAOYSA-N 282.304 -0.213 50 20 CBGD CCC1CCN(S(=O)(=O)NNC(=O)NC)CC1 849307010 GAAYYQDXZNQVQQ-UHFFFAOYSA-N 264.351 -0.213 50 20 CBGD CN(C)CCN(CC(=O)N(C)C)S(=O)(=O)CCl 849451214 GMKROOIWCOQLMB-UHFFFAOYSA-N 285.797 -0.536 50 20 CBGD COCCCNC(=S)N(C)NC(=O)C(C)(C)O 854284111 XEHJZJQGXPZGLG-UHFFFAOYSA-N 263.363 -0.369 50 20 CBGD C[C@H](NNC(=O)Cn1cccnc1=O)C(F)(F)F 862306948 GLGSXYRRJYPZHU-LURJTMIESA-N 264.207 -0.185 50 20 CBGD C[C@H](NNC(=O)CCn1ncn(C)c1=O)C(F)(F)F 862319808 AQQRUXHTGHPOLY-LURJTMIESA-N 281.238 -0.457 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)C2(F)CCCC2)N1 862460244 DUQMOGQKJDYGQS-SSDOTTSWSA-N 257.265 -0.305 50 20 CBGD O=C(NNC(=O)[C@@]12CCC(=O)N1CCS2)c1cn[nH]c1 862473035 BDDVBDNWULNHOL-NSHDSACASA-N 295.324 -0.764 50 20 CBGD COC(=O)c1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)[nH]1 863148600 FTRPUTNPDGORSF-QMMMGPOBSA-N 278.268 -0.470 50 20 CBGD CCC[C@H](CC)S(=O)(=O)NNC(=O)[C@H]1CCC(=O)N1 863413699 XHFRVBYSAVZZAM-DTWKUNHWSA-N 291.373 -0.206 50 20 CBGD C#CCC(C)(C)C(=O)NNC(=O)COCCOC 869907579 ONJMGDDGQHICSW-UHFFFAOYSA-N 256.302 -0.154 50 20 CBGD Cc1sccc1NC(=O)C(=O)NNC(=O)CN(C)C 873805199 XFNHTRGFBWKFRH-UHFFFAOYSA-N 284.341 -0.296 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccc(N2CCOCC2)nc1 910175292 MMVTWXPVEMQJDR-NSHDSACASA-N 294.355 -0.124 50 20 CBGD CO[C@H](C(=O)NNC(=O)CN1CCCC1=O)C(C)C 913731981 CVESQTDIFLSCNK-NSHDSACASA-N 271.317 -0.573 50 20 CBGD O=C(Cn1cncn1)NNC(=O)c1ccc(Cl)nc1 917253388 IIHFDNZCIJLDLS-UHFFFAOYSA-N 280.675 -0.212 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(N)nc(Cl)c1 1251514589 VAGBWMCFESFBEX-UHFFFAOYSA-N 299.718 -0.397 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H]1CCCN(C(N)=O)C1 1318039319 IKPCKYQDEVMNRK-MRVPVSSYSA-N 271.321 -0.483 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccccc1OCC(N)=O 1318160902 RJDWERHRVPVZJF-UHFFFAOYSA-N 280.284 -0.533 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCc1c(C)noc1C 1318940790 CCOHIJVCBLODHE-UHFFFAOYSA-N 284.272 -0.663 50 20 CBGD CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(F)nc1 1320234952 NXGMLSVRBRAVMW-UHFFFAOYSA-N 268.248 -0.037 50 20 CBGD CC(=O)OC(C)(C)C(=O)NNc1nnc(C)c(O)n1 1323049596 UBMQVRUNVHPFPJ-UHFFFAOYSA-N 269.261 -0.330 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)c1ccc[nH]1 1323085130 OZEYJTWUIRMZGW-LURJTMIESA-N 254.246 -0.421 50 20 CBGD CCCNC(=O)NNC(=O)C(=O)c1c(C)nn(C)c1C 1324434503 DKSIYYFIWLRITM-UHFFFAOYSA-N 281.316 -0.040 50 20 CBGD CCS(=O)(=O)CC(C)=NNC(=O)[C@H]1CCC(=O)N1 1329190709 HPRCFZHRNBOKHT-MRVPVSSYSA-N 275.330 -0.808 50 20 CBGD O=C(c1nnc2ccccc2n1)N1CC[C@H](B(O)O)C1 1330262230 MLMOBDHYUZSHMX-QMMMGPOBSA-N 272.073 -0.286 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CCc2ncncc2C1 1332481031 JPDUDNPTTMFCML-QMMMGPOBSA-N 263.301 -0.068 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NN(C)C[C@@H](C)O 1334998719 UWWNYOYKGGWQNZ-HTQZYQBOSA-N 252.336 -0.989 50 20 CBGD CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)C(=O)N1CCCC1 1335771455 GNZBWUVWBPAWHL-UWVGGRQHSA-N 283.328 -0.429 50 20 CBGD CCCn1cc(C(=O)NNC(=O)C(=O)NC2CC2)cn1 1337533393 BURQZUVYPNJMNM-UHFFFAOYSA-N 279.300 -0.667 50 20 CBGD Cc1ccc(NNC(=O)N[C@@H](C)c2nnnn2C)nn1 1341933627 GIZFTQXXUNLJBV-ZETCQYMHSA-N 277.292 -0.304 50 20 CBGD CN1CC[C@H](NC(=O)NNC(=O)c2ccc[nH]2)C1=O 1342823982 FQDSYVLRJAUBOF-QMMMGPOBSA-N 265.273 -0.811 50 20 CBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNc1cccnn1 1346734688 FDKADGIOMKJGOJ-VHSXEESVSA-N 262.317 -0.692 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1C[C@H]1c1cncn1C 1348957026 ZENNFNSPPSMUOW-OPRDCNLKSA-N 252.318 -0.133 50 20 CBGD CC[C@]1(C(=O)NNc2ccn(C)n2)CCNC1=O 1349689015 WBWXAYJWYGFPOF-NSHDSACASA-N 251.290 -0.221 50 20 CBGD O=C(NNC(=O)[C@]1(C(=O)O)CCCO1)c1ccc[nH]1 1574578404 GTUSHOGQGKPONK-NSHDSACASA-N 267.241 -0.591 50 20 CBGD N[C@H](Cc1ccccn1)C(=O)NNC(=O)Cc1ccccn1 1580409441 IEKFMFGUPWOWLY-CYBMUJFWSA-N 299.334 -0.264 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H](C(=O)O)C(C)(C)C 1588795574 GPZBEOUGBCOGMW-ZCFIWIBFSA-N 260.290 -0.348 50 20 CBGD CC(C)C(=O)NNC(=O)CN[C@H](C(=O)O)C(C)C 1588799488 LHKQKHKGDCQSFD-VIFPVBQESA-N 259.306 -0.511 50 20 CBGD CC(C)CN1CC[C@H](CNC(=O)NNC(=O)C(=O)O)C1 1591356760 NKUXAWWSUOPYGI-SECBINFHSA-N 286.332 -0.621 50 20 CBGD Cc1nc(CC(=O)NNc2cccc(-c3nn[nH]n3)c2)n[nH]1 1592326432 FBHMDGZTGPHJIQ-UHFFFAOYSA-N 299.298 -0.021 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNc1ccnc(N(C)C)n1 1593911943 VARGOVFWAVFLCG-ZETCQYMHSA-N 269.261 -0.915 50 20 CBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)[C@H]1CCCCO1 1594228301 YGDITYALGSTLAW-RWYTXXIDSA-N 270.285 -0.186 50 20 CBGD O=C(O)CC[C@@H]1C[C@@H](C(=O)NNC(=O)NCC2CC2)CO1 1595002847 BAOLNIUXWNHSJZ-NXEZZACHSA-N 299.327 -0.003 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@@H](Cn1cncn1)C(=O)O 1596860517 AFKVOIDWYCRXIF-RDOCRHDPSA-N 279.256 -0.709 50 20 CBGD CCN(CC(=O)NNC(=O)C(C)C)[C@H](C)C(=O)O 1603724212 PXYQKXQNSHNIDG-MRVPVSSYSA-N 259.306 -0.415 50 20 CBGD CC[C@H](C)[C@@H](NNC(=O)c1nnn(C)c1C)C(=O)O 1604946235 NZIQXVHYDPFRKH-POYBYMJQSA-N 269.305 -0.143 50 20 CBGD Cc1cc(=NNC(=O)c2cn(CC(=O)O)nn2)cc[nH]1 1605213607 XWPYWQPVMCLFIK-UHFFFAOYSA-N 276.256 -0.755 50 20 CBGD O=C(NCc1ccc2c(c1)COC2)NNC(=O)C(=O)O 1610697910 DHORHVXICYYPDD-UHFFFAOYSA-N 279.252 -0.368 50 20 CBGD C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847563527 OMXSVUNHIXDVRZ-LPEHRKFASA-N 270.716 -0.579 50 20 CBGD O=C(C[C@H]1C=CCC1)NNC(=O)C(=O)NC1CC1 8402472 RJVFVJJSTYDQOA-QMMMGPOBSA-N 251.286 -0.231 50 20 CBGD CC(C)[C@H]1C(=O)NCCN1CC(=O)NNC(=O)C1CC1 112979876 YKNDPZCAGVSMJE-NSHDSACASA-N 282.344 -1.000 50 20 CBGD C[C@@H](NC(=O)NNc1ncccn1)[C@@H]1CN(C)CCO1 152449049 BBQIINYGFSNFOX-ZJUUUORDSA-N 280.332 -0.178 50 20 CBGD O=C(Cn1cnnn1)NNC(=O)NC1CCCCC1 171330138 FIVPEZDUFOUTNY-UHFFFAOYSA-N 267.293 -0.664 50 20 CBGD CN(NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(N)=O 181062570 QTNPOGAWVSXEHO-QMMMGPOBSA-N 280.284 -0.330 50 20 CBGD Cc1ccc(NCC(=O)NNC(=O)[C@H]2COCCO2)cc1 264019308 NYZSRJVNMXOMJB-GFCCVEGCSA-N 293.323 -0.030 50 20 CBGD COCCCOCC(=O)NNc1ncnc2nc[nH]c12 271798409 IIKZARAYXQNYFN-UHFFFAOYSA-N 280.288 -0.151 50 20 CBGD CCO/C=C(\C#N)C(=O)NC1CN(C(=O)OC)C1 276030525 ZFUCFJRMJJWUND-BQYQJAHWSA-N 253.258 -0.003 50 20 CBGD CCc1nnsc1C(=O)NNC(=O)C(C)(C)O 276340308 ZSOYMILWNMRYEK-UHFFFAOYSA-N 258.303 -0.368 50 20 CBGD C=CCOCCCC(=O)NNC(=O)N1CCN(C)CC1 278533736 DRSOPUIQWCWLPI-UHFFFAOYSA-N 284.360 -0.043 50 20 CBGD C=C(C)[C@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)N1CCCC1 278694962 FILRJTKUJUMIMR-GHMZBOCLSA-N 295.339 -0.263 50 20 CBGD CC(C)NC(=O)CNC(=O)NNc1ncncc1F 292567235 YPGZBWCPIYNQDA-UHFFFAOYSA-N 270.268 -0.234 50 20 CBGD CC(C)NC(=O)NNC(=O)CN1CSCC1=O 299308321 RJOYLLGZTDGFMI-UHFFFAOYSA-N 260.319 -0.742 50 20 CBGD NNC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 361764482 UYUPAQOIQHVKNO-ZJUUUORDSA-N 283.328 -0.042 50 20 CBGD CC1CN([C@H](C)C(=O)Nc2cccc(B(O)O)c2)C1 584911855 NTTDCEHFWHDWBO-SNVBAGLBSA-N 262.118 -0.355 50 20 CBGD CC(C)N1C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC1=O 584938073 IDUJVIDTSIDOFM-LBPRGKRZSA-N 290.128 -0.895 50 20 CBGD CC(=O)N1CCN(C(=O)c2cccc(B(O)O)c2)[C@H](C)C1 584961018 VZNCCHNOPGMHAD-SNVBAGLBSA-N 290.128 -0.941 50 20 CBGD CCn1nc(C)c(CNC(=O)c2cccc(B(O)O)c2)n1 585001672 YAQSMJACBNAVME-UHFFFAOYSA-N 288.116 -0.784 50 20 CBGD C[C@H]1C[C@H](NCc2ccc(B(O)O)o2)CCN1C 585026620 IUKBLHAHZACQOC-VHSXEESVSA-N 252.123 -0.468 50 20 CBGD O=C1NCCCC[C@H]1NCc1ccccc1B(O)O 585035633 XDUYYMVSCLGGOY-GFCCVEGCSA-N 262.118 -0.875 50 20 CBGD C[S@](=O)C1(CNCc2cccc(B(O)O)c2)CCC1 585039799 VVWHXXGZSRVMBS-IBGZPJMESA-N 281.186 -0.243 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1F)C1(CO)CC1 585047919 XRCJPXXQCMFZMC-VIFPVBQESA-N 267.109 -0.244 50 20 CBGD COC[C@@H](C)CS(=O)(=O)N1CC[C@@H](B(O)O)C1 585058558 ISKIUCJPLZKNCI-RKDXNWHRSA-N 265.140 -0.853 50 20 CBGD O=C(O)C1(C(=O)N2CC[C@H](B(O)O)C2)CC=CC1 585068227 YWUABMVEUOQBPU-QMMMGPOBSA-N 253.063 -0.517 50 20 CBGD CC(C)(C)n1cc(C(=O)C(=O)N2CC[C@@H](B(O)O)C2)cn1 585074635 BYUAJKURCKQGCP-SNVBAGLBSA-N 293.132 -0.104 50 20 CBGD O=S(=O)(CCCCCl)N1C[C@@H](CO)[C@H](CO)C1 705325002 TVYCKKWZOSSHFB-UWVGGRQHSA-N 285.793 -0.132 50 20 CBGD COCCCNC(=S)N(C)NC(=O)c1cnn(C)c1 726078968 VJVYCNNXKNCBOK-UHFFFAOYSA-N 285.373 -0.092 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1nccs1 732622061 MEXHGUMRMWYHNN-LURJTMIESA-N 290.370 -0.079 50 20 CBGD CC(C)(C(=O)NNC(=O)c1ccncc1)S(C)(=O)=O 733123593 UICJCGVXPCYNTI-UHFFFAOYSA-N 285.325 -0.334 50 20 CBGD CCNC(=O)NNC(=O)CCCn1ccccc1=O 735039449 VNUJUINTIPCXHP-UHFFFAOYSA-N 266.301 -0.021 50 20 CBGD Cc1nn2cccnc2c1C(=O)NNC(=O)c1cnn(C)c1 735444745 UCDMKSNZQRIBBV-UHFFFAOYSA-N 299.294 -0.154 50 20 CBGD CN(C)c1nccc(NNC(=O)CN2CCCNC2=O)n1 740107928 QPNGOPXYQGRYBD-UHFFFAOYSA-N 293.331 -0.599 50 20 CBGD CON(C)CC(=O)NNC(=O)Cc1nc(C)cs1 740609317 HPRIGZQFEZSDLA-UHFFFAOYSA-N 272.330 -0.365 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H](O)C1 744384122 IQZOXCDDVXHZSG-SECBINFHSA-N 257.334 -0.363 50 20 CBGD CC[C@@H](C)NC(=S)NNC(=O)[C@H]1CCS(=O)(=O)C1 749761861 IBKBRNBYYOABSK-SFYZADRCSA-N 293.414 -0.285 50 20 CBGD CC[C@H](C)C(=O)NNS(=O)(=O)CCOCCOC 754749108 XGMGUFFWRPMBRC-VIFPVBQESA-N 282.362 -0.354 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCSC[C@@H]1CO 767118117 ABASLHMVPQKTLS-VIFPVBQESA-N 289.401 -0.410 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1CCCCO1 772222735 VHJNGBNVUMRNGD-VIFPVBQESA-N 259.306 -0.078 50 20 CBGD CN1CC[C@H](C(=O)NNc2ncc(F)cn2)C1=O 773518044 VZKSNBFDUXZRMA-SSDOTTSWSA-N 253.237 -0.463 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNc1cnccn1 775277633 OHNJJDCJGPTALV-SSDOTTSWSA-N 252.278 -0.243 50 20 CBGD CN(NC(=O)c1ccc(Cn2cncn2)cc1)C(N)=O 778415396 VDAIJLAVHSDDFF-UHFFFAOYSA-N 274.284 -0.018 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(F)c(OC)c1 782116935 IHOJOJPKRWQHSI-UHFFFAOYSA-N 299.258 -0.433 50 20 CBGD CC(C)[C@@H](F)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 784143373 CMWNYKAMNWCSPE-JGVFFNPUSA-N 295.336 -0.502 50 20 CBGD O=C(NNc1nc2ccccn2n1)N[C@H]1CC[S@@](=O)C1 790425529 ONYXAGBPVQBRGY-FFVOIRBGSA-N 294.340 -0.124 50 20 CBGD C[C@H]1CCC(=NNC(=O)C(N)=O)[C@@H](n2cncn2)C1 794460473 SQDKWROJIOHZSK-CBAPKCEASA-N 264.289 -0.403 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H](C)S(C)(=O)=O 798306939 DCCPFZDKWKVLDT-LURJTMIESA-N 265.360 -0.899 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCOC[C@@]12CCOC2 799346613 GTRVAOCNABJFJG-AWEZNQCLSA-N 299.371 -0.329 50 20 CBGD O=C(CC1OCCO1)NNc1ccc(-n2ccnc2)nn1 804954793 IUDMOXMUSGAEHV-UHFFFAOYSA-N 290.283 -0.132 50 20 CBGD C#CCOCCC(=O)NNC(=O)C(C)(OCC)OCC 807371239 HPZKMKFNKIZTAU-UHFFFAOYSA-N 286.328 -0.037 50 20 CBGD CC(C)[C@@H](NCC(=O)NNC(=O)C1CC1)C(=O)O 820041530 INDVHNCXRPROOI-SECBINFHSA-N 257.290 -0.757 50 20 CBGD C=CCCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 820772111 ZSULZKMWZIKQNJ-JTQLQIEISA-N 261.347 -0.057 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 823921874 DLQKDRSIVDZUPP-IAQYHMDHSA-N 291.351 -0.212 50 20 CBGD O=C(NNc1ncc(F)cn1)c1ccc(-c2nn[nH]n2)[nH]1 826449981 RNQHLTGGXJIFJG-UHFFFAOYSA-N 289.234 -0.119 50 20 CBGD CCc1nc(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)n[nH]1 827114957 SEBWCDZJQNXONJ-YUMQZZPRSA-N 296.331 -0.378 50 20 CBGD COCCN(CC(=O)O)CC(=O)NNC(=O)C(C)(C)C 831719495 ALJDJHHQFCFJRN-UHFFFAOYSA-N 289.332 -0.787 50 20 CBGD CC(=NNC(=O)NCC(=O)O)c1c(C)nc(O)nc1O 833385459 ZDILHNDKPZVRQD-UHFFFAOYSA-N 283.244 -0.696 50 20 CBGD Cn1cc(C(=O)NCC(Cl)Cl)c(=O)n(C)c1=O 837649822 VREDIKRCTPMODY-UHFFFAOYSA-N 280.111 -0.383 50 20 CBGD COC(=O)C12CC(C(=O)NNC(=O)C(=O)NC(C)C)(C1)C2 843756136 VNCADFGWSHYXKO-UHFFFAOYSA-N 297.311 -0.998 50 20 CBGD CC1=NO[C@@H](C(=O)NNC(=O)[C@H]2CCCCO2)C1 854682798 GUIBNTVFRTZGKE-RKDXNWHRSA-N 255.274 -0.132 50 20 CBGD COCc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862450045 WDJMQAQNXVXGGA-LLVKDONJSA-N 291.307 -0.127 50 20 CBGD O=C1CC[C@@H](C(=O)NN=C2CCN3CCC[C@@H]23)N1 863148016 QXPXWSVKGZEQDX-UWVGGRQHSA-N 250.302 -0.395 50 20 CBGD Cc1cc(CC(=O)NNC(=O)CNCC(F)(F)F)n[nH]1 869012470 RYFAELMBVGIGMS-UHFFFAOYSA-N 293.249 -0.440 50 20 CBGD CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)N1CCN(C)CC1 908054686 ZRYZFXYKHNUPBB-NXEZZACHSA-N 272.349 -0.618 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCCCN(C)C1=O 910139976 WDIZYTMHDMFBPZ-NXEZZACHSA-N 257.334 -0.411 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@H]1CCN1C 925412697 HSEWVNQNYNXJGV-VHSXEESVSA-N 288.348 -0.928 50 20 CBGD C[C@@H]1NC(=O)[C@@H](C)N(CC(=O)NNC(=O)C(C)(C)C)[C@@H]1C 930839091 UXWZVOMSSZBLRP-IVZWLZJFSA-N 298.387 -0.223 50 20 CBGD CCC(=O)N1CC[C@H](NC(=O)NNC(=O)c2ccc[nH]2)C1 1116282094 JXLJZPIBZSEYSI-VIFPVBQESA-N 293.327 -0.030 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCCc2nccs2)N1 1118860605 PZJBOEWJHCTUNJ-SSDOTTSWSA-N 297.340 -0.705 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CCc2nnn(C)c2C1 1119048314 XEGBLVOLPVSBJE-SECBINFHSA-N 267.333 -0.735 50 20 CBGD CCn1cc(CC(=O)N2CC[C@@H](B(O)O)C2)cn1 1261843842 UECQZPIXLUYYKS-SNVBAGLBSA-N 251.095 -0.479 50 20 CBGD COCCCS(=O)(=O)N1CCN(C(=O)CCl)CC1 1319682460 SOFFTNMOBWVXHD-UHFFFAOYSA-N 298.792 -0.264 50 20 CBGD COCCCNC(=O)NNC(=O)c1cncnc1C 1320103449 XNNQAEBUFXYQAK-UHFFFAOYSA-N 267.289 -0.234 50 20 CBGD COc1ncncc1NC(=O)C(=O)NNC(=O)CC1CC1 1320233296 YFHIKWQXCXIQAH-UHFFFAOYSA-N 293.283 -0.629 50 20 CBGD O=C(NNC(=O)[C@H]1CCC(F)(F)C1)C(=O)NC1CC1 1322455222 HMIXLVUBWNMOJW-LURJTMIESA-N 275.255 -0.152 50 20 CBGD O=C(NNc1ncncc1F)C1=NN(CCO)C(=O)CC1 1324304910 PPCIDBOWSATUNP-UHFFFAOYSA-N 296.262 -0.971 50 20 CBGD Cn1nnc2c1C[C@H](C(=O)NNc1cccnn1)CC2 1326065482 BXKLNLHOSDDEGW-MRVPVSSYSA-N 273.300 -0.147 50 20 CBGD C=CCNC(=S)NNC(=O)C(=O)Nc1ccccn1 1332399259 HMELTPUYODYYPU-UHFFFAOYSA-N 279.325 -0.299 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@]2(CCOC2=O)C1 1336358621 WRRQWDHOOZAMFV-AWEZNQCLSA-N 289.096 -0.854 50 20 CBGD CCCc1cc(NC(=O)C(=O)NNC(=O)OC)n(C)n1 1338003123 AMXAHLQVYQAOIB-UHFFFAOYSA-N 283.288 -0.302 50 20 CBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)c1ccccn1 1350786809 UDALRJRDQAUUDL-JQWIXIFHSA-N 289.339 -0.769 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1NCCOc2ccccc21 1578413290 JWZKKRVVBJOFQU-CYBMUJFWSA-N 292.339 -0.581 50 20 CBGD Cc1nnc(NNC(=O)N[C@@H]2[C@@H]3C[C@@H]2CN3)n1C 1579912811 QBSLNXLYJVWURF-CSMHCCOUSA-N 251.294 -0.890 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cccc(F)c1-c1nn[nH]n1 1589881754 CXZCZJZMTVZSNA-ZETCQYMHSA-N 294.290 -0.037 50 20 CBGD CCN1CCCC[C@@H]1CNC(=O)NNC(=O)C(=O)O 1596425320 UDQVBBRLWMGSPQ-MRVPVSSYSA-N 272.305 -0.724 50 20 CBGD Cc1cc(C(=O)O)oc1C(=O)NNC(=O)[C@@H]1COCCO1 1600133526 IVWSCHCHBWYJFW-QMMMGPOBSA-N 298.251 -0.537 50 20 CBGD CC(C)[C@H](C(=O)O)C(=O)NNC(=O)c1cccnn1 1602970137 NMSDVWOGCVMNHS-QMMMGPOBSA-N 266.257 -0.406 50 20 CBGD CC[C@H](C(=O)O)C(=O)NNC(=O)NCC(F)(F)F 1609886287 HIFFRDWSZUBMCC-BYPYZUCNSA-N 271.195 -0.010 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccc(C(N)=O)cc1 139661453 XIQHCYAEOXRJML-UHFFFAOYSA-N 294.311 -0.234 50 20 CBGD Cn1nnc2cc(C(=O)NNC(=O)c3cccnc3)cnc21 182676353 KSMMZXNHMCUALU-UHFFFAOYSA-N 297.278 -0.167 50 20 CBGD CN1N=C(C(=O)NNc2nc3ccccn3n2)CCC1=O 191914099 YNOKUCGVKSNXDY-UHFFFAOYSA-N 287.283 -0.219 50 20 CBGD C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)CN(C)C 247249422 NMWLVWTVEBMROL-GMTAPVOTSA-N 270.377 -0.043 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@@H]2CSCCS2)nn1 268226072 KCXQYGBYUGJVLO-ZETCQYMHSA-N 299.381 -0.133 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CC(c2cccnc2)=NO1 276564339 CZBBQBZUACUNPM-JTQLQIEISA-N 277.284 -0.123 50 20 CBGD CSCCNC(=S)NNC(=O)CCCC(N)=O 280031179 YVQATIGQQDHDEW-UHFFFAOYSA-N 278.403 -0.500 50 20 CBGD O=C(Cn1ccc(O)nc1=O)NCC(Cl)Cl 288139391 AKGJFJLXKRQVSU-UHFFFAOYSA-N 266.084 -0.131 50 20 CBGD COCC[C@@H](CO)NS(=O)(=O)CBr 300904203 RFBNZWFRMUNWFK-LURJTMIESA-N 276.152 -0.344 50 20 CBGD COC(=O)NCC(=O)NNC(=O)NCC(F)(F)F 494508323 XHILYQGOTNQAED-UHFFFAOYSA-N 272.183 -0.765 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1ccon1 494541253 YGUHGYJQFGMZGL-UHFFFAOYSA-N 284.272 -0.040 50 20 CBGD COC(=O)N(C)NS(=O)(=O)c1cc(C(N)=O)n(C)c1 496291604 ILZFPYFNQDYTTQ-UHFFFAOYSA-N 290.301 -0.985 50 20 CBGD CCOC(=O)NNS(=O)(=O)N(C)CCOC 496441225 UXZZSFBINWEVBX-UHFFFAOYSA-N 255.296 -0.940 50 20 CBGD O=C(COC[C@H]1CCCO1)Nc1cccc(B(O)O)c1 584911030 GNZNTQBHVSPFJX-GFCCVEGCSA-N 279.101 -0.500 50 20 CBGD CC[C@@H]1C[C@H](C(=O)Nc2cccc(B(O)O)c2)CC(=O)N1 584911944 BBPUHPDWJJCOHQ-GXSJLCMTSA-N 290.128 -0.390 50 20 CBGD C[C@@H]1CSCCN1C(=O)c1cccc(B(O)O)c1 584951068 UIAIHYOBFHNODG-SECBINFHSA-N 265.143 -0.056 50 20 CBGD O=C(N[C@H](CO)C1CCCC1)c1ccc(B(O)O)c(F)c1 584990796 KVZZBUJVWWOCRJ-CYBMUJFWSA-N 295.119 -0.214 50 20 CBGD CC[C@@H]1OCC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584999512 WBPOAEUZKSNIPH-NEPJUHHUSA-N 281.092 -0.197 50 20 CBGD Cn1cc(CCCCNCc2ccc(B(O)O)o2)cn1 585020341 TUCDTBYJRKKZIO-UHFFFAOYSA-N 277.133 -0.195 50 20 CBGD C[C@H](CCN(C)C)NCc1ccccc1B(O)O 585021776 ZNFDVVDNZDQVJZ-LLVKDONJSA-N 250.151 -0.204 50 20 CBGD OB(O)c1ccc(CNC[C@H](O)Cc2ccccc2)o1 585022514 PKPJJGWIHCEBTE-GFCCVEGCSA-N 275.113 -0.347 50 20 CBGD Cc1nc([C@H](C)NCc2ccc(B(O)O)o2)no1 585041102 TZXJDSMHZNICFJ-LURJTMIESA-N 251.051 -0.498 50 20 CBGD Cc1cc(N2C[C@H](C(=O)NCB(O)O)CC2=O)ccc1F 585063447 ZUSSDADQXUDBFY-SECBINFHSA-N 294.091 -0.385 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](C(=O)O)C1 736848934 YYZYPGWDHQJRDQ-SFYZADRCSA-N 257.290 -0.661 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2C[C@@H]2C(=O)O)n1 738369700 PUVBZGKZHYXSSO-BDAKNGLRSA-N 280.284 -0.632 50 20 CBGD Cc1nn(C)c(C(=O)NNC(=O)NC(C)C)c1[N+](=O)[O-] 745135957 MZSVIIDCWSQEFG-UHFFFAOYSA-N 284.276 -0.011 50 20 CBGD CCNC(=O)NNC(=O)C(C)(C)NC(=O)C(F)(F)F 760162762 KCSAEJMACLDXBW-UHFFFAOYSA-N 284.238 -0.206 50 20 CBGD CCNC(=O)N(C)NC(=O)CCn1ccccc1=O 770545688 ZJGZESCSSFYZPS-UHFFFAOYSA-N 266.301 -0.069 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@H](CO)O1 787319140 PWFCEEXOIXHCKH-NXEZZACHSA-N 287.360 -0.739 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@@H](O)C(C)(C)C1 790449835 JRVAXRCBJUDENZ-RKDXNWHRSA-N 257.334 -0.365 50 20 CBGD CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)C(=O)N1CCCC1 793303986 IJWGMJUIWSBKDZ-NXEZZACHSA-N 285.344 -0.183 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)NCC(F)(F)F 798314473 NACZVCHWXIIQAP-RXMQYKEDSA-N 282.222 -0.500 50 20 CBGD CCOCC(=O)NNC(=O)NCc1cnn(CC)c1 807517746 LVUXMRGCUFBYAE-UHFFFAOYSA-N 269.305 -0.230 50 20 CBGD C[C@H](CO)N(C)NC(=O)Cc1nnn(C(C)(C)C)n1 823913524 WALLBKWEAGGAOU-MRVPVSSYSA-N 270.337 -0.686 50 20 CBGD C[C@H](CC(=O)O)C(=O)NNC(=O)c1cnn(C)c1 827303065 ANJYDWGNBCQIED-ZCFIWIBFSA-N 254.246 -0.708 50 20 CBGD CN(NC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21)C(N)=O 831519478 NIYIENNJUCTWCJ-DJLDLDEBSA-N 268.317 -0.277 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc2oc(O)nc2n1 832753828 ANVSIGICONVNDZ-UHFFFAOYSA-N 280.240 -0.540 50 20 CBGD CCO/C=C(\C#N)C(=O)N1C[C@H](O)C[C@@H](C(=O)OC)C1 844120524 ZIRISTJLIINLJO-YIVZINCLSA-N 282.296 -0.187 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCc2ncncc2C1 844133335 VZOFQLBZEGDUAN-SECBINFHSA-N 277.328 -0.710 50 20 CBGD O=C1C[C@H](C(=O)NNC(=O)c2cccc(F)n2)CCN1 856422966 IZPQKBYIGFEDCF-SSDOTTSWSA-N 280.259 -0.492 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@H]2CC[C@@H]2C(N)=O)n1 857132523 IZCXCJZTUMYBIC-YUMQZZPRSA-N 278.316 -0.503 50 20 CBGD O=C(Cn1cnnn1)NNCC(F)(F)C(F)(F)F 863091403 SOHWCMYQTQISDN-UHFFFAOYSA-N 274.153 -0.509 50 20 CBGD C#CC[C@H](CCOC)NC(=O)c1cccc(B(O)O)c1 863889927 HMVNEMGQMSJBCB-CYBMUJFWSA-N 275.113 -0.475 50 20 CBGD CNC(=O)NNC(=O)[C@H](C)OCc1ccncc1 864993064 QRDCSALBAAQAQO-QMMMGPOBSA-N 252.274 -0.053 50 20 CBGD COC/C=C\C(=O)NNC(=O)CNC(=O)c1cccs1 865099410 TUEHZFWRZXSYBS-DJWKRKHSSA-N 297.336 -0.172 50 20 CBGD CC(C)(CCl)CS(=O)(=O)NCCn1cnnn1 867455702 LJHGHOZUQWTCBW-UHFFFAOYSA-N 281.769 -0.143 50 20 CBGD COCCOCC(=O)NNC(=O)CCc1nccs1 869909181 LWZMNIMMZPOFAP-UHFFFAOYSA-N 287.341 -0.114 50 20 CBGD COc1ncnc(OC)c1C(=O)NN(C)C[C@@H](C)O 910163531 DXKDJOJZUKZBNN-SSDOTTSWSA-N 270.289 -0.549 50 20 CBGD O=C(CN1CSCC1=O)NNC(=O)CC(F)(F)F 918363772 FTDLQUKNUVHPGC-UHFFFAOYSA-N 285.247 -0.381 50 20 CBGD Cc1n[nH]c(C)c1C=NNC(=O)N[C@H]1CCS(=O)(=O)C1 920384712 OMWRTVAAWDXYGR-VIFPVBQESA-N 299.356 -0.153 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1cnn(C)c1C 1116627147 MGXSGGMHYYNERY-UHFFFAOYSA-N 269.261 -0.556 50 20 CBGD CCc1[nH]ccc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1117723285 COHALMASZRXCHP-QMMMGPOBSA-N 299.352 -0.227 50 20 CBGD C=CCNC(=O)CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1118187451 OTTXJTXIEZRQCM-BDAKNGLRSA-N 284.316 -0.956 50 20 CBGD C[C@@]1(CNC(=O)Cn2ncnn2)C[C@@H]1Br 1121227390 TYOCRBSUAIVJST-XPUUQOCRSA-N 274.122 -0.037 50 20 CBGD CCN1C[C@@H](C(=O)NNC(=S)NC(C)C)CC1=O 1317824777 LCHNTTNCNGFSMJ-QMMMGPOBSA-N 272.374 -0.242 50 20 CBGD Cc1cc(C)n2nc(C(=O)NNC(=O)N(C)C)nc2n1 1318160879 QLZBFHPVXWQTLP-UHFFFAOYSA-N 277.288 -0.343 50 20 CBGD CN1N=C(C(=O)NNc2nncc(N)c2Cl)CCC1=O 1319208017 JMNWFBSAUWBQLP-UHFFFAOYSA-N 297.706 -0.237 50 20 CBGD COC(=O)C(=O)NNC(=S)NCc1cccs1 1319347093 WYEYMIGLIJFMTN-UHFFFAOYSA-N 273.339 -0.084 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H]1CCCNC1=O 1329232782 XJLJASQTNYBUHN-ZETCQYMHSA-N 258.347 -0.584 50 20 CBGD Cc1nc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccc1C#N 1329645338 WKAYUWKQMLBREX-JTQLQIEISA-N 287.279 -0.699 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)c1ccc(O)cc1 1330503267 CZQONEVCWFSOQZ-UHFFFAOYSA-N 288.263 -0.312 50 20 CBGD N#CC[C@@H]1CCCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 1334930607 MSSQFGFMCSCYNF-VHSXEESVSA-N 293.327 -0.369 50 20 CBGD CCn1cc(S(=O)(=O)NNC(=O)c2ccc[nH]2)cn1 1338396806 XKPYMGCMVBKVQG-UHFFFAOYSA-N 283.313 -0.146 50 20 CBGD Cc1cccc(NNC(=O)[C@@H](N)CCS(C)(=O)=O)n1 1574166220 YCKSSNNTOMYCPR-VIFPVBQESA-N 286.357 -0.405 50 20 CBGD O=C(NNC(=O)c1cc(C(=O)O)no1)NC1CC1 1601554607 BXZLNCNBCUWZIS-UHFFFAOYSA-N 254.202 -0.521 50 20 CBGD CC(C)(C)[C@H]1C[C@H](NC(=O)NNC(=O)C(=O)O)CCO1 1609654832 LVAAVEUTKBMEST-HTQZYQBOSA-N 287.316 -0.005 50 20 CBGD C[C@@H](CC(=O)O)CC(=O)NNc1ccc(C(N)=O)nn1 1609733345 MVNYBBXHLRAOML-ZCFIWIBFSA-N 281.272 -0.481 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCC(F)(F)C1 1610699367 VFDNWSJEYJIQSC-BYPYZUCNSA-N 251.189 -0.411 50 20 CBGD CC(C)N(C)S(=O)(=O)NNC(=O)c1cnn(C)c1 267102858 XAWRNEHKAQAZOR-UHFFFAOYSA-N 275.334 -0.761 50 20 CBGD C[C@H](O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 270721761 ADQFTNFLMRIBSE-OIBJUYFYSA-N 266.253 -0.645 50 20 CBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CCC2)cc1 281660621 SLZNLFFCZDVVEQ-UHFFFAOYSA-N 297.336 -0.105 50 20 CBGD COC[C@H](O)CNC(=O)NNC(=O)c1ccccc1C 282946374 XLPRVFRHUDOHBF-SNVBAGLBSA-N 281.312 -0.054 50 20 CBGD O=C(O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)CBr 306333286 SSEVGBOBTNDRJS-UHNVWZDZSA-N 288.119 -0.812 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 490811649 GPACQNIEAFRJFI-UFGYOYAJSA-N 278.268 -0.807 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCN(O)C2=O)cn1 491130514 IYBLWIKSGGRFPD-GULOHRGCSA-N 289.295 -0.177 50 20 CBGD COC(=O)NNC(=O)CCC(=O)N1CCOCC1 495367083 MUTCCIKNVOULGS-UHFFFAOYSA-N 259.262 -0.987 50 20 CBGD C[C@H](O)CC(C)(C)CNC(=O)c1ccc(B(O)O)cc1 584953328 BEOGIDABAWTZNX-JTQLQIEISA-N 279.145 -0.107 50 20 CBGD CCO[C@H](C)CNC(=O)c1ccc(B(O)O)cc1 584953329 UJSWHNWBYXVXNE-SECBINFHSA-N 251.091 -0.479 50 20 CBGD CCN(C)C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584955769 WLKPYLYOUDXDPY-LBPRGKRZSA-N 290.172 -0.220 50 20 CBGD N#C[C@]1(F)CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584979049 JJKJKLHHBZWBTN-GFCCVEGCSA-N 280.039 -0.417 50 20 CBGD C[C@@H]1C[C@H](NC(=O)c2ccc(B(O)O)cc2)CS1 585002190 PURNULSDBJRYOE-KCJUWKMLSA-N 265.143 -0.010 50 20 CBGD Cc1nnc(CN(C)C(=O)c2cccc(B(O)O)c2)o1 585006913 RJAUOUHWLYYFEN-UHFFFAOYSA-N 275.073 -0.670 50 20 CBGD C[C@H]1CN(C2CC2)C[C@H]1NCc1ccc(B(O)O)cc1 585028690 OHBFSBRETZVKMX-XHDPSFHLSA-N 274.173 -0.061 50 20 CBGD C[C@@H]1C[C@@H](NCc2ccc(B(O)O)cc2F)CO1 585047661 FDNARSOAILYWNK-LDYMZIIASA-N 253.082 -0.228 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)c2ccc[nH]2)CC1 729966605 NPKZGBWABUWNPC-UHFFFAOYSA-N 250.258 -0.698 50 20 CBGD O=C1CC(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)=NN1 732259347 QEYZHWWOIOPLGL-UHFFFAOYSA-N 291.223 -0.768 50 20 CBGD COCCCN(C)CCNC(=O)NNC(=O)C(C)C 743642035 OJYVYWQCJDAPCX-UHFFFAOYSA-N 274.365 -0.059 50 20 CBGD C[C@@]1(C(=O)NNC(=O)Cc2cc[nH]n2)CCOC1 755287260 WJAHRNKEUIAXTQ-LLVKDONJSA-N 252.274 -0.474 50 20 CBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)NCC1CC1 758454412 YUVXQWPEGDCPPH-SSDOTTSWSA-N 257.290 -0.074 50 20 CBGD C[C@@H]1C(=O)NCCN1CC(=O)NNC(=O)c1cccs1 777572373 IXHZHNUOBGDLDX-MRVPVSSYSA-N 296.352 -0.671 50 20 CBGD CC(C)C(=O)NNC(=O)[C@@H](NC(=O)C1CC1)[C@@H](C)O 779473662 WTHQGEBDRIVNHF-APPZFPTMSA-N 271.317 -0.935 50 20 CBGD COC(=O)CNC(=O)NN=Cc1ccc(O)cc1O 779821298 SCVRXSDSUVGVDQ-UHFFFAOYSA-N 267.241 -0.096 50 20 CBGD O=C(CCCN1C(=O)CNC1=O)NNc1ccnc(F)c1 781364203 YYQAXVZRCXXJCF-UHFFFAOYSA-N 295.274 -0.004 50 20 CBGD C=CCNC(=S)NNC(=O)c1n[nH]cc1[N+](=O)[O-] 798304545 ZZXCANQDRUQBTF-UHFFFAOYSA-N 270.274 -0.387 50 20 CBGD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NN(C)C1CC1 819650344 IRGKPRLPOIXLBP-XCBNKYQSSA-N 255.318 -0.613 50 20 CBGD CCC[C@@H](O)CCNC(=O)c1cc(B(O)O)ccc1F 832695853 PBEZJYYVJOXYBT-SNVBAGLBSA-N 283.108 -0.214 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CS(=O)(=O)C1CC1 843964683 FUPUBYLDUHRIEB-IONNQARKSA-N 290.341 -0.864 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c[nH]1 843970101 BIJOIAOEXIKFDH-VXNVDRBHSA-N 295.295 -0.013 50 20 CBGD Cc1nn(CC(=O)NNc2ccccn2)c(=O)n1C 847668869 YEDLMUPODHZLDC-UHFFFAOYSA-N 262.273 -0.571 50 20 CBGD CN(C)c1noc(CCC(=O)NNC(=O)c2cc[nH]n2)n1 855356971 VZIGUDUGXJKPMB-UHFFFAOYSA-N 293.287 -0.748 50 20 CBGD C=C(CO)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C 855832941 MSENAWJHJQLUIE-UHFFFAOYSA-N 285.344 -0.375 50 20 CBGD COC(=O)COCCNC(=O)NNc1ccncn1 858830446 VRDMACCTWVFYRG-UHFFFAOYSA-N 269.261 -0.708 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2CCOC(=O)N2)n1 861460549 FNZHJHFBSSVQEN-VIFPVBQESA-N 278.268 -0.350 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(O)ncn1 862094961 FUVCOFJKEZPFHE-RNFRBKRXSA-N 266.257 -0.632 50 20 CBGD CCC1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCC1 862456923 WOEKOHRRICQWNV-QMMMGPOBSA-N 253.302 -0.007 50 20 CBGD C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862460643 IYKDAGYBQWFBBB-HLTSFMKQSA-N 267.285 -0.997 50 20 CBGD COC(=O)CSCCNC(=O)c1cccc(B(O)O)c1 863873865 IZOUGDQCQJBAAO-UHFFFAOYSA-N 297.141 -0.998 50 20 CBGD CCN1C[C@@H](CNC(=O)NN(C)C(=O)OC)CC1=O 875696722 SIHDVRQARABEEG-MRVPVSSYSA-N 272.305 -0.233 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H]1CCCN1C=O 887148904 BHOQTUNCNAIHCS-JTQLQIEISA-N 251.286 -0.442 50 20 CBGD CC(C)(CCNCc1cccc(B(O)O)c1)C(=O)O 901480872 INBSWXNGVNZBRV-UHFFFAOYSA-N 265.118 -0.043 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1c2c(nn1C)CCC2 911445638 ZTBMHMXPOQGDDM-MRVPVSSYSA-N 252.318 -0.134 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cccc2c1CNC2=O 1117430486 NETFSMJPIFAGJK-UHFFFAOYSA-N 290.279 -0.574 50 20 CBGD CNS(=O)(=O)N1CCC(C(=O)NN(C)C2CC2)CC1 1118154239 QFRPALLZFMVUBV-UHFFFAOYSA-N 290.389 -0.712 50 20 CBGD Cc1c(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cnn1C 1118186592 HGKYXGWEQNLYQX-MWLCHTKSSA-N 295.343 -0.016 50 20 CBGD CNC(=S)N(C)NC(=O)c1nc2ncc(C)cn2n1 1118770320 KNDWXAGUTVCBAH-UHFFFAOYSA-N 279.329 -0.486 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CN2CCN1C[C@H]2C 1123780988 UJYDSWIMFSSSDP-ZJUUUORDSA-N 269.349 -0.933 50 20 CBGD CC[C@H]1C[C@H](C(=O)NNC(=O)CS(C)(=O)=O)CCO1 1261835009 FIOIRRIHBOZSMB-BDAKNGLRSA-N 292.357 -0.616 50 20 CBGD O=C(NNc1cccnn1)c1cccn2c(O)nnc12 1320353972 XHVPPYUKOOEWRK-UHFFFAOYSA-N 271.240 -0.018 50 20 CBGD C=C[C@@H](COC)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 1320439352 LNSVPJCJNNKIGA-GXSJLCMTSA-N 291.373 -0.432 50 20 CBGD O=C(Cc1ccoc1)NNC(=O)C(=O)NC1CC1 1325788840 HOAZZAUNKLSHJK-UHFFFAOYSA-N 251.242 -0.752 50 20 CBGD Cn1ncc(C=NNC(=O)CN2CCCC2=O)c1N 1327801201 GSAQSQYAQQTWKE-UHFFFAOYSA-N 264.289 -0.925 50 20 CBGD CCOCCOCCCC(=O)N1CC[C@H](B(O)O)C1 1329291828 GTJFIHSZPCNAET-NSHDSACASA-N 273.138 -0.105 50 20 CBGD O=C(NC[C@H]1CCCS(=O)(=O)C1)NNc1ncccn1 1342632991 DKUPYHTZDZBWEF-SECBINFHSA-N 299.356 -0.073 50 20 CBGD O=C(CN1C(=O)CCC1=O)NNC(=O)NCc1ccco1 1346329663 QMNJKYQUTFNZDU-UHFFFAOYSA-N 294.267 -0.741 50 20 CBGD CCO/C=C(/C#N)C(=O)NC1CCN(CC(N)=O)CC1 1350812248 IIJZKBSUPITQNW-KTKRTIGZSA-N 280.328 -0.504 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ncoc1C1CCNCC1 1575377440 CBEJFSJTMZGWFC-UHFFFAOYSA-N 296.327 -0.327 50 20 CBGD Cc1ccccc1CC(=O)NNC(=O)[C@@]1(C)C[C@H](O)CN1 1579796340 AGWZBDCDCQCBQF-SWLSCSKDSA-N 291.351 -0.202 50 20 CBGD CC(C)[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)O 1588950095 BLXCGHGYNGAFHO-SNVBAGLBSA-N 265.074 -0.795 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCCC(=O)O)ccc1=O 1594530270 JAROZSQHQTVTIK-UHFFFAOYSA-N 281.268 -0.599 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCc2cc(O)ccc2C1 1601552919 NNVHBDSPZFYBHE-VIFPVBQESA-N 293.279 -0.336 50 20 CBGD O=C(O)CNC(=O)NNC(=S)NCC1CCC1 1602072135 RLJGDBYEMLYZNG-UHFFFAOYSA-N 260.319 -0.451 50 20 CBGD CC(C)(O)c1ccc(CNC(=O)NNC(=O)C(=O)O)cc1 1609681505 RISVHDKSTWYYMD-UHFFFAOYSA-N 295.295 -0.171 50 20 CBGD Cn1cc(C(=O)O)cc1C=NNC(=O)C[N+](C)(C)C 1776011710 HYIWPCBAIPJCMS-UHFFFAOYSA-O 267.309 -0.120 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCO[C@H](C#N)C1 111229773 IEWJQWCCCUEORI-GHMZBOCLSA-N 282.344 -0.207 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)c1ccccc1OC 270531313 ULTQYPWHFRECLZ-UHFFFAOYSA-N 280.284 -0.615 50 20 CBGD COCCOCC(=O)NNC(=O)c1cc(C)n[nH]1 270621262 HTFOKWYKMZTMSU-UHFFFAOYSA-N 256.262 -0.858 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)NCc2ccco2)C1 276438323 GYMKVYUVSKFTEI-UHFFFAOYSA-N 280.284 -0.412 50 20 CBGD CCOC(=O)NCC(=O)NNc1nc2ccccn2n1 276816460 ZSDVIZGZCGYKQG-UHFFFAOYSA-N 278.272 -0.082 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CC(=O)N(C)C1 281339263 UPMKNNGUGGEAKZ-ZETCQYMHSA-N 256.331 -0.854 50 20 CBGD COCCN(C)NC(=O)c1cccc(-n2cnnn2)c1 288546041 PFBUTUCNYILMIG-UHFFFAOYSA-N 276.300 -0.115 50 20 CBGD C#CCO[C@H](C)C(=O)NNC(=O)C(C)(OCC)OCC 295584972 ZULUDCNRGQOJGZ-SNVBAGLBSA-N 286.328 -0.039 50 20 CBGD C#CCn1ccnc1C=NNC(=O)NCC(=O)OC 491418732 RYRVLENQIJTFCH-UHFFFAOYSA-N 263.257 -0.678 50 20 CBGD CC(C)(C)OC(=O)NCC(C)(C)C(=O)NNC(=O)CO 495267545 ZCIWDSXMCZXXDU-UHFFFAOYSA-N 289.332 -0.323 50 20 CBGD CCC[C@@H](O)CC(=O)Nc1cccc(B(O)O)c1 584913241 RXLHKBYDELLTJP-LLVKDONJSA-N 251.091 -0.144 50 20 CBGD CC(C)C[C@@H](O)CNC(=O)c1ccc(B(O)O)c(F)c1 584959720 KLTBNOIJVIJELI-SNVBAGLBSA-N 283.108 -0.358 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCOC[C@@H]1C1CC1 584967318 JBHYNJDRFCDISK-CYBMUJFWSA-N 293.103 -0.244 50 20 CBGD CC[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@@H]1O 584967815 MWAGQHTUESHYCQ-SKDRFNHKSA-N 263.102 -0.791 50 20 CBGD CCCN1CC[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1 585006685 YPMLGVBJRQNNNJ-CYBMUJFWSA-N 276.145 -0.420 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCC[C@H](O)C2)c(F)c1 585032397 HKPLPBSNVYYVKB-NEPJUHHUSA-N 267.109 -0.101 50 20 CBGD CC(=O)Nc1ccc(/C=C/C(=O)NCB(O)O)cc1 585060591 HJERSDKVUDKJHR-QPJJXVBHSA-N 262.074 -0.214 50 20 CBGD CNC(=O)c1ccc(C(=O)NNC(=O)c2ccncc2)cn1 728512231 ORRWCXZAFVEYNR-UHFFFAOYSA-N 299.290 -0.089 50 20 CBGD CCCCNC(=O)NNC(=O)CCCS(C)(=O)=O 731184888 OLFBONSTUNKXBH-UHFFFAOYSA-N 279.362 -0.058 50 20 CBGD CC(C)C(=O)NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 748838341 QRLFAXRWLFGHSN-QMMMGPOBSA-N 279.300 -0.434 50 20 CBGD Cc1ccc(O)c(C(=O)NNC(=O)C(=O)NC(C)C)c1 752994565 GIVHIXGWYDZUGR-UHFFFAOYSA-N 279.296 -0.014 50 20 CBGD CCCn1ncc(C(=O)NNC(=O)CO)c1C1CC1 753439582 QSFGTKGAXRSHMC-UHFFFAOYSA-N 266.301 -0.076 50 20 CBGD Cc1nc2ccnn2c(C)c1CCC(=O)NNC(=O)CO 753445393 ZNQUJTCEOOELQJ-UHFFFAOYSA-N 291.311 -0.582 50 20 CBGD CC(C)CC(=O)NNS(=O)(=O)N1CCOCC1 765027190 HBSRTVBYRFISKZ-UHFFFAOYSA-N 265.335 -0.770 50 20 CBGD CC(=O)NC1(C(=O)NN(C)C(N)=O)CCCCC1 778417764 FJZXHPXUCBKQQT-UHFFFAOYSA-N 256.306 -0.133 50 20 CBGD CCNC(=O)N(C)NC(=O)C1(S(C)(=O)=O)CCC1 793785531 LNXNYBSHRJTQJH-UHFFFAOYSA-N 277.346 -0.354 50 20 CBGD CC(=NNC(=O)CO)c1ccc2c(c1)OCC(=O)N2 794923156 WWDUPEMPGKFDTJ-UHFFFAOYSA-N 263.253 -0.150 50 20 CBGD O=C(CO)NNC(=O)c1cncc(C(F)(F)F)c1 809751780 KIAFMEOENGOOLC-UHFFFAOYSA-N 263.175 -0.146 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc(N)nc1 814835725 ZSZJXNFMLNSJMB-MRVPVSSYSA-N 299.356 -0.558 50 20 CBGD COc1nccnc1NNC(=O)[C@H]1CC[C@H]1C(N)=O 816971015 QZXDLJKQJGZMQJ-RQJHMYQMSA-N 265.273 -0.560 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@@H](CO)OC(C)(C)C1 817279574 QHDZAVDSIPUGBC-JTQLQIEISA-N 287.360 -0.739 50 20 CBGD CC[C@H](O)[C@@H](C)C(=O)NNC(=O)c1cnn(C)c1 822576216 PKERFMHMNRPQBQ-APPZFPTMSA-N 254.290 -0.412 50 20 CBGD CCC(=O)N1CC[C@@H](C(=O)NN(C)[C@@H](C)CO)C1 823946299 GWNLODQZIZRPJP-VHSXEESVSA-N 257.334 -0.411 50 20 CBGD COC(=O)CNC(=O)NN=C(C)c1ccn(C)n1 841632747 GODYIYXTCVYLLZ-UHFFFAOYSA-N 253.262 -0.384 50 20 CBGD CNCC1CCN(CC(=O)NNC(=O)C2CC2)CC1 843351314 JOALUVJEDGLEOA-UHFFFAOYSA-N 268.361 -0.525 50 20 CBGD CCN1C[C@@H](CNC(=O)NNc2ncccn2)CC1=O 845491248 IVGJMQYMGPAMOJ-SECBINFHSA-N 278.316 -0.029 50 20 CBGD Cc1ccccc1COCC(=O)NNC(=O)CO 857170428 OXJKGJCDRZTNPY-UHFFFAOYSA-N 252.270 -0.349 50 20 CBGD CO[C@@]1(C)CCCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858699061 IDIWULWOVVWCPT-ZANVPECISA-N 298.343 -0.493 50 20 CBGD CN(C[C@H]1CC1(C)C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858702354 IINPVDLJFHOYQW-RKDXNWHRSA-N 282.344 -0.016 50 20 CBGD O=C(COc1ccccc1)NNC(=O)[C@H]1CCC(=O)N1 862449006 KJQDMCZNUNMCSJ-SNVBAGLBSA-N 277.280 -0.509 50 20 CBGD CC(C)(C)OC(=O)CNC(=O)c1ccc(B(O)O)cc1 863873142 XXUFDTZKEJHOGM-UHFFFAOYSA-N 279.101 -0.562 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2C[C@H]2C(F)(F)F)N1 868799968 GMLZFKGVMCAIRW-HSUXUTPPSA-N 294.233 -0.454 50 20 CBGD COCCOCC(=O)NN=C1CCN2CCC[C@H]12 872401268 NDADVYVJJRFQOC-LLVKDONJSA-N 255.318 -0.010 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)C2(CN(C)C)CC2)n1 873803808 VRICEKGTMLKABA-UHFFFAOYSA-N 293.371 -0.011 50 20 CBGD CO[C@@H]1CCOC[C@H]1NCc1ccccc1B(O)O 897888908 LFERHNNQWDRVDM-CHWSQXEVSA-N 265.118 -0.740 50 20 CBGD COC(=O)[C@@H](O)CNC(=O)[C@@]1(C)C[C@@H]1Br 907160755 DWCQVKHMXRNVBJ-WATHFIQWSA-N 280.118 -0.190 50 20 CBGD CC(C)N1CCN(CCC(=O)NN(C)C[C@H](C)O)CC1 910151192 ZPKNJXDMGRXOMK-ZDUSSCGKSA-N 286.420 -0.254 50 20 CBGD Cc1occc1C(=O)NCC(=O)NN(C)C[C@H](C)O 910152412 QDFPJTOESOWXBM-QMMMGPOBSA-N 269.301 -0.338 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H](C)OC[C@@H]1CCCO1 910168826 RFURULZXKMYUFL-AXFHLTTASA-N 260.334 -0.086 50 20 CBGD CC[C@@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)N(C)C 911505122 RILPCVHFRWVXHX-GUBZILKMSA-N 257.334 -0.101 50 20 CBGD O=C(CN1CC[C@H]1CO)NNC(=O)c1cccs1 934023128 QJYRGNDYCKKZOS-QMMMGPOBSA-N 269.326 -0.424 50 20 CBGD C[C@H](C#N)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1117678920 JNMAIXBRGGGABI-RKDXNWHRSA-N 259.331 -0.362 50 20 CBGD CC(Cn1cncn1)=NNC(=O)[C@H]1CCS(=O)(=O)C1 1118584647 AGIVFSQRETWHHI-VIFPVBQESA-N 285.329 -0.795 50 20 CBGD O=C(/C=C/c1ccc[nH]1)NNC(=O)[C@@H]1CCC(=O)N1 1118884620 LBYFWSYLYCRQAE-SGRBOOSSSA-N 262.269 -0.546 50 20 CBGD CCCCNC(=O)NNC(=O)CCNC(=O)COC 1251810863 OFGCPYRVLAOQEO-UHFFFAOYSA-N 274.321 -0.730 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCC(CO)CC1 1262568238 PLQOQLQFBLFVAK-UHFFFAOYSA-N 257.334 -0.506 50 20 CBGD COCCOCCC(=O)NNc1nnc(C)c(O)n1 1317974258 ACLFJENHMJITIL-UHFFFAOYSA-N 271.277 -0.618 50 20 CBGD O=C(NNC(=O)C1CC1)c1ccc2nnc(O)n2c1 1319601702 NXNCYQYSBBETTG-UHFFFAOYSA-N 261.241 -0.394 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1C[C@H](OC)C1(C)C 1323666985 DKEUZXBQKLKROY-BQBZGAKWSA-N 273.289 -0.697 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)NOC[C@@H]1CCOC1 1324446983 JWGUWGIUGPFHOW-LLVKDONJSA-N 294.311 -0.077 50 20 CBGD Cc1cc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)ncn1 1326191901 BOJUFGFCBOTHPD-VIFPVBQESA-N 297.340 -0.395 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(C(N)=O)c[nH]1 1326662007 RKADALMHULPGPJ-HTRCEHHLSA-N 280.284 -0.700 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccncn1 1326768084 ZXUARKGTFINUHD-PSASIEDQSA-N 279.300 -0.268 50 20 CBGD C=CCOCCNC(=O)NNC(=O)c1ncccn1 1327804284 RJYXDENSENHSQQ-UHFFFAOYSA-N 265.273 -0.377 50 20 CBGD CNC(=S)N(C)NC(=O)c1conc1COC 1328743806 IWLOABGSKFGMQL-UHFFFAOYSA-N 258.303 -0.098 50 20 CBGD CN(C)N(C(=O)C(F)F)[C@H]1CCS(=O)(=O)C1 1330175073 FLRPHIFLNYBWEI-LURJTMIESA-N 256.274 -0.256 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)C[C@H]1CC(=O)N1 1330836186 QSOTXWMDURLMOW-MRVPVSSYSA-N 293.279 -0.803 50 20 CBGD C/C=C\C[C@H](CO)NC(=O)NNC(=O)c1cn[nH]c1 1331313668 YRBMDGDPKFSQAI-PKRMOACSSA-N 267.289 -0.319 50 20 CBGD O=C(CCO)NNC(=O)Nc1ccn2ccnc2c1 1343501056 MOJGSMRLMGQAOX-UHFFFAOYSA-N 263.257 -0.131 50 20 CBGD COCCN(C)NC(=O)[C@H]1CCc2nnc(O)n2C1 1347067656 CXMBWGBEWOMCDK-QMMMGPOBSA-N 269.305 -0.845 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnn2c1NCCC2 1347704147 JRNGCKNGKKEQPT-RKDXNWHRSA-N 293.327 -0.115 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)NCCCOC 1357825045 AKFVHACVEIKBNW-SNVBAGLBSA-N 288.348 -0.926 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@@H]2C[C@]23CCNC3)n1 1573866078 WYVJDXVLVFJCPL-ZANVPECISA-N 276.344 -0.015 50 20 CBGD CCC[C@](C)(N)C(=O)NNC(=O)NCCCOC 1577328429 MRBLTSCCCAFNCS-NSHDSACASA-N 260.338 -0.129 50 20 CBGD Nc1cc(C(=O)NNC(=O)C2CCOCC2)ccn1 1580434113 HPCPAXXXKMOIKP-UHFFFAOYSA-N 264.285 -0.149 50 20 CBGD O=C(CC1(O)CNC1)NNC(=O)c1ccccc1Cl 1580513965 BJTROPMCAFBXRJ-UHFFFAOYSA-N 283.715 -0.175 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(CCOC)CCC(=O)O 1589425124 YGAPIVYBLADKAF-SECBINFHSA-N 289.332 -0.645 50 20 CBGD CCC(CC)(C(=O)O)C(=O)NNC(=O)c1cn(C)nn1 1589476124 YNAQUTAEFQAIDW-UHFFFAOYSA-N 283.288 -0.533 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(F)c(-c2nn[nH]n2)c1 1590744038 FITJYLXECNUULV-UHFFFAOYSA-N 293.262 -0.030 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)C(=O)O)c2nccn21 1594255901 SJCHJVLFXOXLHA-PHDIDXHHSA-N 267.245 -0.696 50 20 CBGD O=C(NNC(=O)[C@@H]1CC(C(=O)O)=NO1)NC1CCCC1 1594783283 YKUCGMUXWNTIQR-QMMMGPOBSA-N 284.272 -0.511 50 20 CBGD CSSCCNC(=O)NNC(=O)C(=O)O 1599803926 FXJRBCIIZMOJHI-UHFFFAOYSA-N 253.305 -0.587 50 20 CBGD Cc1cc(C=NNC(=O)CS(C)(=O)=O)oc1C(=O)O 1600185136 IDMRGGKUGNTVIH-UHFFFAOYSA-N 288.281 -0.219 50 20 CBGD O=C(NCCCN1CCCCC1)NNC(=O)C(=O)O 1601497067 KSNSYNZAONKCLN-UHFFFAOYSA-N 272.305 -0.723 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCN2CCCC[C@@H]12 1601552879 MBQZMMLIKNJUMT-YUMQZZPRSA-N 270.289 -0.972 50 20 CBGD CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)C(O)O)C2 1845162574 ATJSZYAFJGXYQX-MRVPVSSYSA-N 290.747 -0.482 50 20 CBGD COCCNC(=O)NNc1ccc(-n2cccn2)nn1 42842484 MYGRANPUIHMXPQ-UHFFFAOYSA-N 277.288 -0.065 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(C(N)=O)nc1 49427658 FSJUXJJAMXZZAY-UHFFFAOYSA-N 251.246 -0.856 50 20 CBGD CCN1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 204405021 JQRVQDDJKIDABJ-UHFFFAOYSA-N 262.118 -0.856 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1cc(C)nc(C)n1 270483759 LBIZOFAGBPFXLD-UHFFFAOYSA-N 281.316 -0.359 50 20 CBGD COC1(C(=O)NNC(=O)C(=O)NC(C)C)CCC1 273004989 QDZJCULNUYUKTB-UHFFFAOYSA-N 257.290 -0.773 50 20 CBGD CCOCC1(C(=O)NNC(=O)C(=O)NC(C)C)CC1 283092683 VRCYVAXALZNLKL-UHFFFAOYSA-N 271.317 -0.525 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1n[nH]c2c1CCC2 299393862 SJAOBPKESZIXLF-UHFFFAOYSA-N 279.300 -0.415 50 20 CBGD CCNC(=O)NC(C)(C)C(=O)Nc1cccc(B(O)O)c1 584912300 MNXKQFVQIJKCJY-UHFFFAOYSA-N 293.132 -0.597 50 20 CBGD CC(C)[C@H](O)CCNC(=O)c1ccc(B(O)O)cc1 584949284 DFSZBRAGIYPFKU-GFCCVEGCSA-N 265.118 -0.497 50 20 CBGD CN(C(=O)c1ccc(B(O)O)cc1)C1(C(N)=O)CCCC1 584967210 RTUSTMITGPLFOI-UHFFFAOYSA-N 290.128 -0.764 50 20 CBGD CN(C)[C@@]1(CNCc2ccc(B(O)O)o2)CCSC1 585026472 NMLQZAPLIPKNIW-GFCCVEGCSA-N 284.190 -0.514 50 20 CBGD C[C@](O)(CNCc1cccc(B(O)O)c1)C(F)(F)F 585032485 VOVXMCGKTVJSOC-JTQLQIEISA-N 277.051 -0.231 50 20 CBGD C[C@H]1[C@H](NCc2ccc(B(O)O)o2)CCCN1C 585034626 KVLVXFPPDUYOPP-GXSJLCMTSA-N 252.123 -0.468 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCc3nc[nH]c3C2)c(F)c1 585041435 PCVJIUFJQKKGMP-NSHDSACASA-N 289.119 -0.124 50 20 CBGD O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCB(O)O 585055443 AILSLWQYNIUGNT-UHFFFAOYSA-N 288.090 -0.931 50 20 CBGD Cc1c(C(=O)NCB(O)O)cnn1CCC(C)C 585062934 PWAKGIBBUQKLRG-UHFFFAOYSA-N 253.111 -0.021 50 20 CBGD O=C(NNC(=O)c1cocn1)c1ccc(-n2cnnn2)cc1 729299293 NXNTXMMBKGIBRX-UHFFFAOYSA-N 299.250 -0.275 50 20 CBGD CCOCC(=O)NNC(=O)NCCCCC(=O)O 737161632 IAYHAQCEVISWDZ-UHFFFAOYSA-N 261.278 -0.392 50 20 CBGD O=C(O)NCC(=O)NNC(=O)COc1ccccc1O 738650513 DRDXOQNPCYCOJL-UHFFFAOYSA-N 283.240 -0.814 50 20 CBGD O=C(NNC(=O)[C@@H]1CC12CCC2)C(=O)N1CCCC1 759769015 SQZSDOVTTKCMAR-VIFPVBQESA-N 265.313 -0.054 50 20 CBGD CCNC(=O)CCC(=O)NNC(=S)NCCSC 770242553 DUHMOJSKQHXITR-UHFFFAOYSA-N 292.430 -0.239 50 20 CBGD CN1CCN(C(=O)NNC(=O)C[C@@H]2CCCO2)CC1 773673872 QNMVXEUMTJBGBB-JTQLQIEISA-N 270.333 -0.456 50 20 CBGD CCn1nccc1C(=O)NNC(=O)NCCCOC 775820825 VPKWHSRYFMROGG-UHFFFAOYSA-N 269.305 -0.117 50 20 CBGD CCNC(=O)N(C)NC(=O)CS(=O)(=O)CC 780708912 KOFHZUAHZZEGRJ-UHFFFAOYSA-N 251.308 -0.886 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1C[C@H]2C[C@]2(CO)C1 782627266 ZPBBEXMYUPKYKY-NOZJJQNGSA-N 269.345 -0.506 50 20 CBGD C[C@H]1C[C@@H](C(=O)NNC(=O)c2cnn(C)c2)CO1 784112766 ONCBGPHDKMUGSX-JGVFFNPUSA-N 252.274 -0.394 50 20 CBGD CC(C)OCCCC(=O)NNC(=O)C(=O)N1CCCC1 784638908 YWPPWLNEFDWOJC-UHFFFAOYSA-N 285.344 -0.039 50 20 CBGD CCOC(=O)[C@H](C)N(CC(=O)NNC(=O)C1CC1)C1CC1 787369693 RDJUEUIXFSJXOR-VIFPVBQESA-N 297.355 -0.040 50 20 CBGD Cn1nnc(CNC(=O)NNc2ccc(F)cn2)n1 787901808 YLHAZYKGWNNBHS-UHFFFAOYSA-N 266.240 -0.430 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccn(CC(F)F)n1 789935855 ZESMGBDNMJXRGT-UHFFFAOYSA-N 298.253 -0.125 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1C[C@@H](O)C(C)(C)C1 790452177 WUOQEIAYLDJMRS-SECBINFHSA-N 271.361 -0.117 50 20 CBGD Cc1cccc(C(=O)NNC(=S)NCC(=O)N(C)C)n1 795011758 HGHLXKCNBUIPGW-UHFFFAOYSA-N 295.368 -0.413 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42 795238618 LJPKTKMUFKJAKY-HLWQCTIYSA-N 262.309 -0.480 50 20 CBGD N#CSCCCNC(=O)CN1CCOCC1=O 816538762 FVPZNHPEJJQIQL-UHFFFAOYSA-N 257.315 -0.434 50 20 CBGD CCN(CCO)NC(=O)c1cncc(N2CCOCC2)c1 823869270 GPUWDJPCTQPULZ-UHFFFAOYSA-N 294.355 -0.123 50 20 CBGD COCCS(=O)(=O)c1ccc(C(=O)NN)cc1 825644863 IUCWFINGTQMTPE-UHFFFAOYSA-N 258.299 -0.290 50 20 CBGD O=C(NN[C@@H](C(=O)O)c1ccc(F)cc1)[C@@H]1COCCO1 833149590 VCSHDHXWCYQXOW-WDEREUQCSA-N 298.270 -0.012 50 20 CBGD CO[C@@H]1COC[C@@H]1NC(=O)NNC(=O)[C@@H]1CCCCO1 838776488 AXIFVZQKYWTMMW-LPEHRKFASA-N 287.316 -0.700 50 20 CBGD Cc1ncc2n1C[C@@H](C(=O)NNC(=O)C(C)(C)O)CC2 845993051 UKUWJMCNTXJCDX-VIFPVBQESA-N 280.328 -0.328 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CCc2nccn2C1 854921596 MBDGHNZZQQOSMC-MRVPVSSYSA-N 267.358 -0.087 50 20 CBGD CC(C)(C(=O)NNC(=O)CC(F)(F)F)S(C)(=O)=O 855002308 SDOCVPCMEZRKSW-UHFFFAOYSA-N 290.263 -0.091 50 20 CBGD O=C(NNc1ccc(Cl)nn1)C1(n2cnnn2)CC1 857131059 ZKZXMSBCXRAOLB-UHFFFAOYSA-N 280.679 -0.251 50 20 CBGD CNC(=O)c1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)cc1 863145131 KEAFYMWTTFYIDE-NSHDSACASA-N 288.307 -0.225 50 20 CBGD O=C1CC[C@H](C(=O)NN=Cc2cc(CO)ccc2O)N1 863150304 RIYIYRRWVVWFPP-SNVBAGLBSA-N 277.280 -0.387 50 20 CBGD O=C(N[C@@H]1CCN2CCC[C@H]2C1)c1cccc(B(O)O)c1 864906623 QRMHSOWKXZVGNG-KGLIPLIRSA-N 288.156 -0.277 50 20 CBGD CCO/C=C\C(=O)NNC(=O)Cc1cc(C)[nH]n1 869016632 NHFOYXDSPDGTTQ-PLNGDYQASA-N 252.274 -0.042 50 20 CBGD CO[C@@H]1CN(CC(=O)NNC(=O)C(C)C)CCO1 878970409 PEFICYBUYPSEIX-JTQLQIEISA-N 259.306 -0.906 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc(F)cc(F)c1O 894134688 RDLGONRYZNMZGI-UHFFFAOYSA-N 273.239 -0.007 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@@H]1CCCC(=O)N1C 906442581 JIUADNPAXXHOCA-QMMMGPOBSA-N 256.306 -0.264 50 20 CBGD C[C@@H](C(=O)NN(C)C[C@@H](C)O)n1nnnc1C(C)(C)C 910154555 DGKDYIPRCCYSEJ-BDAKNGLRSA-N 284.364 -0.125 50 20 CBGD Cc1ccn2c(=O)c(C(=O)NN(C)C[C@@H](C)O)cnc2c1 910169593 FBLYTDGOFNGXRL-SNVBAGLBSA-N 290.323 -0.040 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1CCCCO1 913731697 SIPPTQVFCFTFMQ-SECBINFHSA-N 269.301 -0.675 50 20 CBGD CCCCNC(=O)NNS(=O)(=O)c1cn[nH]c1 920757290 MLUPEGFPGARCCX-UHFFFAOYSA-N 261.307 -0.298 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)NC2CC2)nc1 920766415 JWVWUVCPJIQJDA-UHFFFAOYSA-N 278.268 -0.025 50 20 CBGD O=C(c1ccnc(-n2ccnc2)c1)N1CC[C@H](B(O)O)C1 1118916897 ZWMVAAWMCKCTPN-NSHDSACASA-N 286.100 -0.044 50 20 CBGD Cn1cc(C(=O)NN=C2CCS(=O)(=O)C2)cn1 1318567986 ZHPFZVBGYVGRJF-UHFFFAOYSA-N 256.287 -0.676 50 20 CBGD CC(C)c1cc(C(=O)NNC(=O)C(=O)NC2CC2)nn1C 1318874402 ZXBCAPYCLLGMNY-UHFFFAOYSA-N 293.327 -0.417 50 20 CBGD COC(=O)C(=O)NN=Cc1ccc2c(c1)nnn2C 1318902600 FMIAHGVDJDEMTH-UHFFFAOYSA-N 261.241 -0.409 50 20 CBGD COCCn1cc(C(=O)NNC(=O)NC(C)C)cn1 1330306356 ZHJCQLAXNUGQPQ-UHFFFAOYSA-N 269.305 -0.118 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1C[C@@H](OC(C)C)C1 1330864482 KBYGCVCGKAKVMD-OCAPTIKFSA-N 273.289 -0.554 50 20 CBGD COc1coc(C(=O)NN(C)C[C@@H](C)O)cc1=O 1332176705 WOFUNPTUBRAVSE-SSDOTTSWSA-N 256.258 -0.394 50 20 CBGD Cc1cc(C(=O)NNC(=O)CO[C@H]2CCOC2)n[nH]1 1336226982 FSRRVCCUMVMWQG-QMMMGPOBSA-N 268.273 -0.715 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@@H](CO)CC1CC1 1351352652 LQMMXBPPUWSSRJ-SECBINFHSA-N 267.289 -0.485 50 20 CBGD C#Cc1cccc(CNC(=O)NNC(=O)C(=O)O)c1 1588522196 HUEOYJGLCSPUHP-UHFFFAOYSA-N 261.237 -0.417 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)C(=O)O 1589425106 XJUAPFZJJYPIHH-NTSWFWBYSA-N 260.246 -0.804 50 20 CBGD CN1C[C@H](O)C[C@@]1(C)C(=O)NNc1ncccc1C(=O)O 1593773447 FYRPDDUSSHWRIF-OQPBUACISA-N 294.311 -0.322 50 20 CBGD Cc1cc(C(=O)NNC(=O)NCCOCC(=O)O)c(C)o1 1600095711 RBEIABOPPBZRAF-UHFFFAOYSA-N 299.283 -0.058 50 20 CBGD O=C1CC[C@H](C(=O)NNc2ncccc2C(=O)O)O1 1606560606 AHMQBODHCCZDPT-SSDOTTSWSA-N 265.225 -0.072 50 20 CBGD O=C(NCC1(C(F)(F)F)CC1)NNC(=O)C(=O)O 1610690917 MIJIAQBJZMFWTG-UHFFFAOYSA-N 269.179 -0.256 50 20 CBGD CC(=O)NNC(=O)CCNS(=O)(=O)c1ccccc1 36748005 KAJGVXTUUKTTLC-UHFFFAOYSA-N 285.325 -0.478 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)c1ccccn1 46304413 IFLNIXXQAMNRAK-UHFFFAOYSA-N 250.258 -0.679 50 20 CBGD CCc1nnsc1C(=O)NNC(=O)C(=O)NC(C)C 47831474 ITRCLUDAAIJDMG-UHFFFAOYSA-N 285.329 -0.614 50 20 CBGD COCCn1cc(NC(=O)NNC(=O)OC)cn1 47876049 BIIYDIDMHZYAMF-UHFFFAOYSA-N 257.250 -0.078 50 20 CBGD CC(C)CC(=O)NNC(=O)NCCN1CCOCC1 48730041 KKCPLZGHZNLTAO-UHFFFAOYSA-N 272.349 -0.305 50 20 CBGD CNC(=O)NNC(=O)CN(C)C(=O)c1cccs1 48950470 FDTFSUOOJBIGJP-UHFFFAOYSA-N 270.314 -0.220 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=O)c1ccc(C)o1 84284957 PYWCNTMEZNHPNU-SSDOTTSWSA-N 253.258 -0.126 50 20 CBGD CCCNC(=O)CCC(=O)NNC(=O)NCCCOC 264651625 GRCQEECUZYLNGP-UHFFFAOYSA-N 288.348 -0.340 50 20 CBGD C[C@@]1(C(=O)NNc2ccc(C(N)=O)nn2)CCCOC1 272716420 WLOWHPWLNOZVCW-GFCCVEGCSA-N 279.300 -0.165 50 20 CBGD CCN(CC)S(=O)(=O)CC(=O)NN(C)C(=O)OC 495824806 ZBOXTKXPZARXLQ-UHFFFAOYSA-N 281.334 -0.613 50 20 CBGD CSCC[C@H](O)C(=O)Nc1cccc(B(O)O)c1 584913611 ZVSHLKWHRCNSAO-JTQLQIEISA-N 269.131 -0.581 50 20 CBGD CNC(=O)C1(NC(=O)c2cccc(B(O)O)c2)CCCC1 584939013 QGRJXRLEZIRLBJ-UHFFFAOYSA-N 290.128 -0.845 50 20 CBGD CC(C)C(=O)NCCCNC(=O)c1cccc(B(O)O)c1 584966515 CFULAKKBWIPNHZ-UHFFFAOYSA-N 292.144 -0.742 50 20 CBGD COCC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584977077 WKALQXDMXNAXTN-NSHDSACASA-N 277.129 -0.135 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@H](C)S1=O 584981248 UUEJLSYKHCBZII-UWVGGRQHSA-N 295.169 -0.652 50 20 CBGD CC1(C)[C@H]2OCC[C@H]2[C@H]1NCc1ccc(B(O)O)o1 585025195 NZNAFJZSEAERBZ-WCQGTBRESA-N 265.118 -0.138 50 20 CBGD COC1CCN(CCNCc2ccc(B(O)O)o2)CC1 585033673 IYJNKTOKLXGPPG-UHFFFAOYSA-N 282.149 -0.840 50 20 CBGD O=C(NCB(O)O)c1cc([N+](=O)[O-])cc2c1OCCO2 585059226 FHXVXZKWZYFHMO-UHFFFAOYSA-N 282.017 -0.892 50 20 CBGD CC(C)(C)[C@@H](Br)C(=O)NCB(O)O 585063440 ZEJIHLWMNANVGB-YFKPBYRVSA-N 251.917 -0.076 50 20 CBGD O=C(O)[C@]1(C(=O)N2CC[C@H](B(O)O)C2)CC=CCC1 585063920 KOVGHXCRURHLSU-JOYOIKCWSA-N 267.090 -0.127 50 20 CBGD CC(=O)c1c[nH]c(C(=O)NNC(=O)Cc2cc[nH]n2)c1 730102631 IJPTURGPGWSIGJ-UHFFFAOYSA-N 275.268 -0.056 50 20 CBGD CCOCCCN1CCC(=NNC(=O)C(N)=O)[C@H](C)C1 735224274 PZHJKKJCQRIIEJ-SNVBAGLBSA-N 284.360 -0.288 50 20 CBGD C[C@@H]1[C@@H](C)[S@](=O)CCN1CC(=O)NNC(=O)C1CC1 736626655 ANRGWCMADOXJJM-IXGDSRDXSA-N 287.385 -0.615 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(C(=O)O)CC1 736847078 KEAWOKIXIWXSKS-MRVPVSSYSA-N 271.317 -0.271 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1CC=CCC1 737063503 GPSAVJAPAXRZRY-MRVPVSSYSA-N 266.301 -0.296 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CCCCN1S(C)(=O)=O 746004104 ZXXCNMRKTBFFLN-QMMMGPOBSA-N 292.361 -0.897 50 20 CBGD C[C@@H](OC[C@H]1CCCO1)C(=O)NNC(=O)N(C)C 746014709 NKDZNMCDRHHLRF-RKDXNWHRSA-N 259.306 -0.127 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](C)COC 748454900 SNPNPFPUPUEQIE-DTWKUNHWSA-N 277.321 -0.597 50 20 CBGD CC(C[C@@H]1CCOC1)=NNC(=O)[C@@H](C)NS(C)(=O)=O 751530169 YZCNMRFYIQMXQQ-ZJUUUORDSA-N 291.373 -0.157 50 20 CBGD CCn1nc(C(=O)NNC(=O)CO)c2ccccc2c1=O 753438294 CJNSYUAGFLUSED-UHFFFAOYSA-N 290.279 -0.830 50 20 CBGD O=C(Cc1cc(O)nc(O)n1)NN=C1CCN2CCC[C@@H]12 765580476 JFFOVXSWGVAFQY-JTQLQIEISA-N 291.311 -0.229 50 20 CBGD CCOCCC(=O)O[C@H](C)C(=O)NNC(=O)CC 772086826 DGOJOVUCZHYKQA-MRVPVSSYSA-N 260.290 -0.098 50 20 CBGD CCS(=O)(=O)c1ccc(C(=O)NNC(=O)CO)cc1 777781119 HIBCFVRVFXYQEF-UHFFFAOYSA-N 286.309 -0.767 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1cocn1 778433317 KRSXZNMINMDORJ-UHFFFAOYSA-N 284.272 -0.040 50 20 CBGD C[C@H]1C[C@@H](C(=O)NNC(=O)CNC(=O)c2ccco2)CO1 784091041 ZCXZDFDZPPYDBJ-DTWKUNHWSA-N 295.295 -0.418 50 20 CBGD CN(NC(=O)COCC(=O)NN(C)C1CC1)C1CC1 819647242 KNTWMUJCKOOUCM-UHFFFAOYSA-N 270.333 -0.746 50 20 CBGD CCn1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)nn1 823476142 WHPFOXNUDZPXJG-SFYZADRCSA-N 267.289 -0.516 50 20 CBGD C[C@@H](CO)N(C)NC(=O)C(C)(C)NC(=O)C(F)(F)F 823929390 YAFSGMNWCZSINL-LURJTMIESA-N 285.266 -0.213 50 20 CBGD O=C1CC[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)N1 826480296 WZWXJTVZUAFQMO-VIFPVBQESA-N 287.283 -0.412 50 20 CBGD Cc1nc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)nn1C 831827626 QXCYSYSUTYGFIU-HTRCEHHLSA-N 282.304 -0.299 50 20 CBGD O=C(C[C@@H]1CCC(=O)N1)NNc1nc2ccccn2n1 834350621 DCWSEIUXMAFYGY-QMMMGPOBSA-N 274.284 -0.159 50 20 CBGD CC(C)S(=O)(=O)CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843643468 IEFHWHYAOSOOSW-BDAKNGLRSA-N 292.357 -0.618 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc([N+](=O)[O-])n[nH]1 843972895 WCAPHDFDCOCPDC-NTSWFWBYSA-N 283.244 -0.496 50 20 CBGD CCONC(=O)CNC(=O)NNC(=O)c1cccc(C)n1 845534880 HIWYIMWWLYKYSE-UHFFFAOYSA-N 295.299 -0.598 50 20 CBGD CC(C)OCCS(=O)(=O)NNC(=O)c1cc[nH]n1 849310748 NELUGXISEQSJIP-UHFFFAOYSA-N 276.318 -0.601 50 20 CBGD O=S(=O)(CBr)N1CCCNCC1 850581314 BZQXDJLETKPCMM-UHFFFAOYSA-N 257.153 -0.036 50 20 CBGD CO[C@@H]1COC[C@H]1NC(=O)NNC(=O)c1cccc(F)n1 852392790 SOOBGPFMIDQLAF-RKDXNWHRSA-N 298.274 -0.422 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](N2CCOC2=O)C1 852436788 NJMZBBNLHZGDJE-NXEZZACHSA-N 298.343 -0.541 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)c1cc[nH]n1 855355336 XKNKGCOONOWURT-UHFFFAOYSA-N 267.289 -0.667 50 20 CBGD CN1CCN(CC(=O)NNc2ncc(Cl)cn2)CC1 857356811 YELTZVGXIHUGHU-UHFFFAOYSA-N 284.751 -0.180 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@]2(O)CCOC2)n1 857459904 SZDINSDEFKGQAH-LLVKDONJSA-N 268.273 -0.612 50 20 CBGD CN(CCC1CC1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858696165 KFFPJJCHLMTWFT-SECBINFHSA-N 268.317 -0.262 50 20 CBGD CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNC(=O)c1cn[nH]c1 862469943 WDFBFFBRCVXRFF-CBAPKCEASA-N 297.315 -0.059 50 20 CBGD Cc1cccc(NNC(=O)[C@@H]2CCS(=O)(=O)N2)n1 862517652 FBDIRMYQKADTJT-QMMMGPOBSA-N 270.314 -0.475 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@]12CCOC2=O 863879007 MEGKFQOGMOBRMH-AWEZNQCLSA-N 289.096 -0.712 50 20 CBGD COCCOCC(=O)NN=Cc1cccn1CC(=O)OC 872401364 RKPYSERHVTYZMI-UHFFFAOYSA-N 297.311 -0.226 50 20 CBGD COC(=O)N(C)NC(=O)N[C@@H]1CCN(C(C)C)C1=O 875291905 PYNYQQILQLSGEO-MRVPVSSYSA-N 272.305 -0.092 50 20 CBGD O=C(Cn1cc(CN2CCCC2)nn1)NNC(=O)C1CC1 881292573 KYQRZKLUQWMRIL-UHFFFAOYSA-N 292.343 -0.569 50 20 CBGD CC(C)N(C)CC(=O)NNC(=O)c1cccnn1 882058062 FGGLIBIJRZMQAA-UHFFFAOYSA-N 251.290 -0.422 50 20 CBGD C[C@]1(C(=O)NCCNS(C)(=O)=O)C[C@H]1Br 905841082 XDKZKOSRLBQVLP-SVRRBLITSA-N 299.190 -0.175 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccc2c(c1)CCC2 919683964 STCFVDOYKPGLIW-UHFFFAOYSA-N 296.348 -0.019 50 20 CBGD O=C(NN=Cc1ccc[nH]1)N[C@H]1CCS(=O)(=O)C1 920380204 HYXMFTTVZSTMQV-VIFPVBQESA-N 270.314 -0.165 50 20 CBGD CCNC(=O)NNC(=O)c1ccccc1-n1cnnn1 920858603 MXRJRBXEZZIHMU-UHFFFAOYSA-N 275.272 -0.374 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H]1C(=O)NCC1(C)C 931658827 PIOIXNLCZSJKDL-CBAPKCEASA-N 270.333 -0.954 50 20 CBGD Cn1cc(C(=O)NNC(=O)CSc2nncn2C)cn1 1262478888 HUMPLBAFFYMVDO-UHFFFAOYSA-N 295.328 -0.898 50 20 CBGD O=C(NNC(=O)C1CC=CC1)N[C@H]1CCS(=O)(=O)C1 1318716083 BRKIKEHKGPIYMS-VIFPVBQESA-N 287.341 -0.530 50 20 CBGD CC1(C(=O)NNc2ccc(C(N)=O)nn2)CCOCC1 1319072642 SVHVRNUEUDCNQA-UHFFFAOYSA-N 279.300 -0.165 50 20 CBGD Cc1c(C(=O)NNC(=O)Cc2ccncc2)nnn1C 1322268294 ZAHNQPHXWRPYCR-UHFFFAOYSA-N 274.284 -0.478 50 20 CBGD Cc1ccc(C(=O)NNC(=O)NCc2cnnn2C)o1 1325076172 FLBGUAFDSHEGPW-UHFFFAOYSA-N 278.272 -0.139 50 20 CBGD COC(=O)c1ccc(NNC(=O)c2ncn(C)n2)nc1 1325914288 RWAGFZGHOXQSPA-UHFFFAOYSA-N 276.256 -0.246 50 20 CBGD C=CCNC(=S)NNC(=O)c1c(CO)noc1C 1326775948 BILFHAVJMHLXNV-UHFFFAOYSA-N 270.314 -0.230 50 20 CBGD CN1CCC[C@@H]1CNC(=O)NNC(=O)c1cccnn1 1330845035 JJBUHJRXJWILKV-SECBINFHSA-N 278.316 -0.485 50 20 CBGD O=C1CCCN1C[C@@H](O)CNS(=O)(=O)CCCCl 1331897536 JNLMXBBRZFIMRH-VIFPVBQESA-N 298.792 -0.482 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2C=CCCC2)N1 1334906757 LQOSPXSWNGHPQH-DTWKUNHWSA-N 266.301 -0.296 50 20 CBGD COCCN(C)NC(=O)[C@H]1CCS(=O)(=O)C1 1342865274 OIGCDRLPWRDZEX-QMMMGPOBSA-N 250.320 -0.970 50 20 CBGD COCCn1cc(C(=O)N2CC[C@H](B(O)O)C2)cn1 1348490842 VFEIYWCOYKLLFQ-JTQLQIEISA-N 267.094 -0.782 50 20 CBGD Cn1cc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)nn1 1549317502 LUWLKNWOSPLBGC-WDEREUQCSA-N 278.316 -0.872 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cc2n(n1)CCC[C@@H]2N 1576037978 SKOFWUGRRAWUFC-IUCAKERBSA-N 267.333 -0.366 50 20 CBGD C[C@]1(C(=O)NNC(=O)NCC2CC2)C[C@@H](N)CCO1 1576349691 GPPWJZUOERNOJZ-JOYOIKCWSA-N 270.333 -0.377 50 20 CBGD CC[C@H]1NCC[C@H]1C(=O)NNC(=O)c1ncon1 1577307244 ARXXKDAXUDIJSU-RNFRBKRXSA-N 253.262 -0.781 50 20 CBGD CS(C)(=O)=Nc1ccccc1C(=O)NNC(=O)CN 1579362332 MLUWNZAGPFRYMQ-UHFFFAOYSA-N 284.341 -0.235 50 20 CBGD C=CCNC(=S)NNC(=O)c1coc(-c2nn[nH]n2)c1 1588663087 FWWWBPRMHRZQQM-UHFFFAOYSA-N 293.312 -0.245 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CC[C@H](C(=O)O)C1 1589416783 QQCZLHHDPSNEOX-AXTSPUMRSA-N 299.327 -0.005 50 20 CBGD O=C(NNC(=O)[C@@]1(C(=O)O)CC=CCC1)c1ncon1 1594779740 WDKBUQYEXPFNSA-LLVKDONJSA-N 280.240 -0.358 50 20 CBGD CN1C[C@@H](C(=O)NNc2ccc(C(=O)O)c(F)c2)NC1=O 1598559957 MVQJWBLGDQZYHH-VIFPVBQESA-N 296.258 -0.009 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)N2C[C@H](O)C[C@@H]2C(=O)O)cn1 1600945536 HLUVCGVYTOZULB-DZNGSNMXSA-N 290.279 -0.627 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@@]1(C(=O)O)CCCO1 1605765381 YQTPWFBMBCKDQY-LLVKDONJSA-N 271.273 -0.639 50 20 CBGD Cc1ccccc1OCC(=O)NNC(=O)C(=O)NC1CC1 8392282 NZXFLDUJHJFJFO-UHFFFAOYSA-N 291.307 -0.200 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1nccnc1Cl 265132877 GJXCLOIUSUJHNE-YFKPBYRVSA-N 293.736 -0.489 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NNc1cccnn1 273127673 UHLAXPUHRBJEJN-JTQLQIEISA-N 265.317 -0.112 50 20 CBGD Cc1ccc(CC(=O)NNC(=O)C(C)(C)O)cn1 276183912 CWGHVAFLGXMORK-UHFFFAOYSA-N 251.286 -0.149 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CCNC(N)=O)n1 279894183 YYBPXSFABKJBLI-UHFFFAOYSA-N 265.273 -0.791 50 20 CBGD CN1C[C@H](C(=O)NNC(=O)[C@H]2CCCCO2)CC1=O 295256775 ATYJYICQPCUTPE-RKDXNWHRSA-N 269.301 -0.819 50 20 CBGD C#CCO[C@@H](C)C(=O)NNC(=O)[C@H]1CCCCO1 295646796 UMQXXKAGFVRHCF-VHSXEESVSA-N 254.286 -0.259 50 20 CBGD C[C@@H]1CN(C(=O)COc2ccc(B(O)O)cc2)C[C@@H](C)O1 584909473 MBZBHDBJXZPIIK-GHMZBOCLSA-N 293.128 -0.619 50 20 CBGD Cc1ncc2c(n1)CCN(C(=O)c1ccc(B(O)O)cc1)C2 584930541 ZDZVAUMPCLQDNO-UHFFFAOYSA-N 297.123 -0.337 50 20 CBGD C[C@H]1OCC[C@]1(C)NC(=O)c1cccc(B(O)O)c1 584972564 AGOGNTKUFMVVMK-RNCFNFMXSA-N 263.102 -0.336 50 20 CBGD C[C@@H]1[C@@H](NC(=O)c2cc(B(O)O)ccc2F)CCCN1C 584972866 IOVAVIVVMVWFNO-RNCFNFMXSA-N 294.135 -0.282 50 20 CBGD O=C(NC[C@H](CO)C1CC1)c1cccc(B(O)O)c1 584990266 AFUGIOJTOVUWME-LLVKDONJSA-N 263.102 -0.885 50 20 CBGD CC1(F)CC(NC(=O)c2cccc(B(O)O)c2)C1 584995448 TZELBMHJKJGQRZ-UHFFFAOYSA-N 251.066 -0.013 50 20 CBGD C[C@@H](O)C1(NC(=O)c2ccc(B(O)O)c(F)c2)CC1 585005339 FGJZNTVXTJAYTG-SSDOTTSWSA-N 267.065 -0.851 50 20 CBGD CN1CCC(CNCc2ccc(B(O)O)o2)CC1 585022772 YYTLOFXHKCDMSH-UHFFFAOYSA-N 252.123 -0.609 50 20 CBGD O=S1(=O)CCC[C@H](NCc2ccc(B(O)O)cc2)C1 585025516 WEJCSVYIKPDLQW-LBPRGKRZSA-N 283.158 -0.967 50 20 CBGD CC(C)N1C[C@H](C)[C@@H](NCc2ccc(B(O)O)o2)C1 585030031 DBCSLYLOWBSALD-JQWIXIFHSA-N 266.150 -0.222 50 20 CBGD OB(O)c1cccc(CNCCC2(O)CCOCC2)c1 585040467 KUICUKJCQZFVLK-UHFFFAOYSA-N 279.145 -0.612 50 20 CBGD O=C1CC[C@H](CCNCc2ccccc2B(O)O)N1 585040924 SHPHVZDLBJXOLR-LLVKDONJSA-N 262.118 -0.875 50 20 CBGD CC(C)[C@H](NCc1ccc(B(O)O)o1)C(=O)N1CCCC1 585048451 PQAMKMKQNOFUSR-ZDUSSCGKSA-N 294.160 -0.304 50 20 CBGD O=S(=O)(NCB(O)O)c1cccnc1C(F)(F)F 585059422 NCKWEJNPXHUZJG-UHFFFAOYSA-N 284.024 -0.609 50 20 CBGD O=C(CN1C(=O)CCc2ccccc21)NCB(O)O 585059906 GETZSMDSGGACSA-UHFFFAOYSA-N 262.074 -0.906 50 20 CBGD CC(C)C(=O)NNC(=O)[C@@H](C)N1C(=O)CCC1=O 727723875 VCTZKWCNWVRYGX-SSDOTTSWSA-N 255.274 -0.673 50 20 CBGD C[C@@H](CN1CCOCC1)NC(=O)NNC(=O)C1CCC1 732238674 JQTHGYXXXSLQBG-JTQLQIEISA-N 284.360 -0.162 50 20 CBGD COC[C@H](C)CNC(=O)NNC(=O)c1cnn(C)c1 735512133 GPBBYVSFMFRCAQ-MRVPVSSYSA-N 269.305 -0.353 50 20 CBGD COCCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 736977225 WLIJULDZFOOYFQ-UHFFFAOYSA-N 290.283 -0.336 50 20 CBGD Cc1[nH]ccc1C(=O)NNC(=O)N1CCN(C)CC1 773657683 JUNGVTVCTUINBJ-UHFFFAOYSA-N 265.317 -0.075 50 20 CBGD COc1nccnc1NNC(=O)[C@H](O)c1cnn(C)c1 774465358 IZSYFEINSHKKTO-MRVPVSSYSA-N 278.272 -0.605 50 20 CBGD C[C@@]1(O)CCCN(CC(=O)NNC(=O)C2CC2)CC1 791627082 BDRAQXVKFQZXBL-CYBMUJFWSA-N 269.345 -0.219 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cnccn1 807956689 AXWYFVSZZIMXMX-NSHDSACASA-N 277.328 -0.105 50 20 CBGD CN(C)CC(=O)NN=C1CCN(CC(C)(C)O)CC1 814220898 LEOGDKPNWJDOEL-UHFFFAOYSA-N 270.377 -0.113 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 823846912 ORCSFGDZLIVEQY-LLVKDONJSA-N 271.361 -0.164 50 20 CBGD C[C@H](CO)N(C)NC(=O)CNC(=O)Cc1cccc(F)c1 823971222 QYWRZOJZKNPTDA-SNVBAGLBSA-N 297.330 -0.172 50 20 CBGD CC(C)[C@H](NC(=O)O)C(=O)NNc1nccn(C)c1=O 824136949 NDUDKVHLUJRBNA-ZETCQYMHSA-N 283.288 -0.484 50 20 CBGD C[C@@H](Oc1ccc(C=NNC(=O)C(N)=O)cc1)C(=O)O 827884552 RFVQJCDHXYLOJJ-SSDOTTSWSA-N 279.252 -0.526 50 20 CBGD COC(=O)[C@@H]1C[C@@H](O)CN(S(=O)(=O)CCl)C1 828382754 WGEICERWEIYJDW-RNFRBKRXSA-N 271.722 -0.632 50 20 CBGD COc1cc(C)nc(NNC(=O)Cc2n[nH]c(C)n2)n1 829481937 HBEZXHIDKFJEIR-UHFFFAOYSA-N 277.288 -0.094 50 20 CBGD C[C@@H](N)CNC(=O)NNC(=O)COCc1ccccc1 841989683 WDZSTIUWLWZZHW-SNVBAGLBSA-N 280.328 -0.119 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc2n(n1)CCO2 843652623 BLBGTBJTARBCDZ-HTQZYQBOSA-N 280.284 -0.539 50 20 CBGD Cc1cn(C)nc1C(=O)NNC(=O)N1CCN(C)CC1 854382158 ZFZAUWZXLQCNRJ-UHFFFAOYSA-N 280.332 -0.670 50 20 CBGD CNC(=S)N(C)NC(=O)c1c([N+](=O)[O-])cnn1C 854923443 WAHLLRDGXXWWJP-UHFFFAOYSA-N 272.290 -0.591 50 20 CBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNC(=O)CC(F)(F)F 855000426 IDXADLHCBZYHPY-NQXXGFSBSA-N 269.179 -0.417 50 20 CBGD Cn1ncc(C(=O)NNC(=S)NCC2CCC2)n1 855089802 HFEKWGYMHYACKN-UHFFFAOYSA-N 268.346 -0.276 50 20 CBGD CC[C@@H](C(=O)NNC(=O)CO)N(C)C(=O)OC(C)(C)C 857171268 XCVHLXAHKPRVOY-QMMMGPOBSA-N 289.332 -0.228 50 20 CBGD C#C[C@@H](CCC)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858391040 VKCJXMQMBBXEKB-DTWKUNHWSA-N 266.301 -0.603 50 20 CBGD COC1CC(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)C1 861767256 OUMGBMKLGHUYRO-HSOILSAZSA-N 290.385 -0.096 50 20 CBGD CCNc1ncc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 862463534 HBKKHINKQUTTCS-LURJTMIESA-N 297.340 -0.386 50 20 CBGD CC(=O)NCC(=O)NNC(=O)c1cc(C)cs1 862473982 JWYSPBPUIGGMGR-UHFFFAOYSA-N 255.299 -0.046 50 20 CBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1nccnc1C 863153385 SUANYPCBERPHIC-VIFPVBQESA-N 261.285 -0.096 50 20 CBGD CC[C@@H](C)N(CC(=O)OC)C(=O)c1ccc(B(O)O)cc1 863881315 QDOXYLWTMGUJKC-SNVBAGLBSA-N 293.128 -0.220 50 20 CBGD CCOC(=O)N1CC[C@@H](NCc2cccc(B(O)O)c2)C1 863890696 BVYFMDFPVCEJSP-CYBMUJFWSA-N 292.144 -0.313 50 20 CBGD O=C(/C=C/CN1CCOCC1)NNC(=O)C1CC1 864444046 RWAXWHHKEUFSKV-OWOJBTEDSA-N 253.302 -0.568 50 20 CBGD COCCOCC(=O)NN=C(C)c1cnn(C)c1 872403096 NNMDLOWTOJJVIR-UHFFFAOYSA-N 254.290 -0.077 50 20 CBGD CC[C@]1(C(=O)NNc2ccnc(N(C)C)n2)CCNC1=O 878920623 SUUWOVKAJJZURQ-ZDUSSCGKSA-N 292.343 -0.098 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CCN(Cc2ccccc2)C1=O 897605569 GFOIJZUCZQFJHW-LLVKDONJSA-N 291.307 -0.825 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 910159730 CBSYCQWVYYHDON-DTWKUNHWSA-N 295.405 -0.706 50 20 CBGD CC(=O)NCC(=O)NNC(=O)Cc1c[nH]c2ccccc12 915787616 GFSSCVBFGDFEJO-UHFFFAOYSA-N 288.307 -0.006 50 20 CBGD O=C(NN=C1C(=O)Nc2cc(O)ccc21)C(=O)NC1CC1 915956475 ZWRTYQWNXWVAJK-UHFFFAOYSA-N 288.263 -0.557 50 20 CBGD CN(CCCF)C(=O)c1cc(B(O)O)ccc1F 925558146 NNCCCXQGZMQMGC-UHFFFAOYSA-N 257.045 -0.063 50 20 CBGD CCN1CCC[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1=O 928863282 GEMFXYKJVNOYGE-GFCCVEGCSA-N 290.128 -0.893 50 20 CBGD CN(NC(=O)c1nnc2ccccc2c1O)C(N)=O 1116451142 QBXNYOOTKMBSEW-UHFFFAOYSA-N 261.241 -0.009 50 20 CBGD O=C(C[C@@H]1CCCOC1)NNC(=O)C(=O)NC1CC1 1116890393 WSAPBVXHOJSAIM-QMMMGPOBSA-N 269.301 -0.771 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H]1CCCN(C(N)=O)C1 1117157191 GXOBPSGHIRRUBL-SSDOTTSWSA-N 258.278 -0.494 50 20 CBGD N#CC1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 1118864348 OLJXKGZUFDCPBV-VIFPVBQESA-N 279.300 -0.759 50 20 CBGD O=S(=O)(N=S1(=O)CCCC1)N1CC[C@@H](B(O)O)C1 1261843712 PEFZNBJNGRLBGC-MRVPVSSYSA-N 296.179 -0.958 50 20 CBGD COC(=O)C(=O)NN=C(C)c1cccc(S(N)(=O)=O)c1 1319045536 LPJGWKHAZCFSFQ-UHFFFAOYSA-N 299.308 -0.653 50 20 CBGD CC(C)NC(=S)NNC(=O)COCc1ccnn1C 1321626306 UXFSAVRHBVKOPE-UHFFFAOYSA-N 285.373 -0.160 50 20 CBGD Cn1cc(C(=O)NNS(=O)(=O)c2ccoc2)cn1 1321826251 DBTCGCSHUGHWAL-UHFFFAOYSA-N 270.270 -0.364 50 20 CBGD O=C(NNc1ncnc2[nH]cnc12)[C@]1(F)CCOC1 1322979717 XACCYVVHGPDTQN-JTQLQIEISA-N 266.236 -0.075 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CCOC[C@H]1C 1325017321 KZZPGGCUOGNMJL-SFYZADRCSA-N 273.289 -0.838 50 20 CBGD Cn1nncc1NNC(=O)c1nnc2ccccc2n1 1325023077 KQIWXHMRTLMTEX-UHFFFAOYSA-N 270.256 -0.090 50 20 CBGD Cn1cc(C(=O)NNc2nc3ccccc3c(=O)n2C)nn1 1326066084 KRBAVACTMBTFAG-UHFFFAOYSA-N 299.294 -0.181 50 20 CBGD O=C(Cc1cnccc1Cl)NNC(=O)C(=O)NC1CC1 1327876567 NBLWLYRQTVRSFG-UHFFFAOYSA-N 296.714 -0.297 50 20 CBGD Nc1cnnc(NNC(=O)CN2CCOCC2)c1Cl 1328594044 DXTLDAAQGZVTLT-UHFFFAOYSA-N 286.723 -0.513 50 20 CBGD COC(=O)[C@@H](NNC(=O)[C@H]1CCC(=O)N1)c1cccnc1 1329571552 UXXGGRHBIDUOSV-KOLCDFICSA-N 292.295 -0.805 50 20 CBGD COC(OC)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1329805104 AOWGFIUJCMGKTO-QMMMGPOBSA-N 280.346 -0.902 50 20 CBGD O=C(Cn1cc(C2CC2)nn1)N1CC[C@@H](B(O)O)C1 1330262055 KNUWFEYJPURXGJ-SECBINFHSA-N 264.094 -0.769 50 20 CBGD O=C(C[C@H]1CCCS(=O)(=O)C1)NNC(=O)c1ccc[nH]1 1330310212 GAVMZAAABVOREY-SECBINFHSA-N 299.352 -0.009 50 20 CBGD NC(=O)c1cc(C(=O)NNC(=O)Cc2ccncc2)c[nH]1 1330693523 BUNIIUVNGLSWGS-UHFFFAOYSA-N 287.279 -0.488 50 20 CBGD Cc1n[nH]c(C)c1CCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331690211 IECRXOYDXKDONB-JTQLQIEISA-N 293.327 -0.615 50 20 CBGD COc1ccc(C)cc1NC(=O)C(=O)NNC(=O)CCO 1337981836 SWHWUUDSXJOSES-UHFFFAOYSA-N 295.295 -0.528 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)C(=O)NCC1CC1 1338846679 VEIMABLYDOVDJK-UHFFFAOYSA-N 276.296 -0.702 50 20 CBGD C[C@]1(CNC(=O)C[C@H](O)CN)C[C@H]1Br 1342286547 WDXRNXRJNZPLBR-LKEWCRSYSA-N 265.151 -0.014 50 20 CBGD Cn1cc(C(=O)NNc2cccc(S(C)(=O)=O)c2)nn1 1343353238 LAGWWONWYMTLDG-UHFFFAOYSA-N 295.324 -0.025 50 20 CBGD C[S@](=O)CCCNC(=O)NNC(=O)Cc1cccnc1 1521174094 XYMHPQSMHRRZIZ-FQEVSTJZSA-N 298.368 -0.277 50 20 CBGD Cc1cc(S(N)(=O)=O)cc(C(=O)N(C)N)c1C 1574144889 VFRYQTRWIQTTIP-UHFFFAOYSA-N 257.315 -0.103 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc(CN)nc1 1576903448 JTBOABWZNWCAJS-IONNQARKSA-N 279.300 -0.879 50 20 CBGD N[C@@H]1CC=C(C(=O)NNC(=O)c2cnsn2)C1 1580168309 GAIJWUYAJCODHQ-ZCFIWIBFSA-N 253.287 -0.653 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@]12CCCNC2)c1cnsn1 1580732826 KIRCVCMIDNGZEK-CPCISQLKSA-N 281.341 -0.311 50 20 CBGD Cc1nn(CCO)c(C)c1C=NNC(=O)NCC(=O)O 1600787965 DCKHDLDEIIFKGN-UHFFFAOYSA-N 283.288 -0.790 50 20 CBGD CC(=NNC(=O)NCC(=O)O)c1ccnc(C)n1 1602991114 XGCBFVUGKBMGRE-UHFFFAOYSA-N 251.246 -0.107 50 20 CBGD CCN(CC(=O)NNC(=O)N1CCOCC1)C1CC1 179163474 ZYYFVXBGLSXFQX-UHFFFAOYSA-N 270.333 -0.456 50 20 CBGD CCN(C)C(=O)[C@H](C)NC(=O)NNc1ncccn1 187937325 NMTWQXXNEWPJLG-QMMMGPOBSA-N 266.305 -0.031 50 20 CBGD COC[C@@H](CO)NC(=O)NNC(=O)c1ccccc1 279590801 HOYGMIGPXZCLFC-SNVBAGLBSA-N 267.285 -0.362 50 20 CBGD COC[C@@](C)(C#N)NC(=O)c1ccc(B(O)O)c(F)c1 584961800 BADQSSDKINWRCX-GFCCVEGCSA-N 280.064 -0.836 50 20 CBGD O=C(N[C@@H]1CCCOCC1)c1cccc(B(O)O)c1 584970998 IUHNOMYUTDLRRS-GFCCVEGCSA-N 263.102 -0.335 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H]1CCO 584997723 IHQGZNMRDUUJRZ-GFCCVEGCSA-N 263.102 -0.647 50 20 CBGD O=C(CCCNCc1ccc(B(O)O)cc1)NC1CC1 585024607 YSVMASPXSJLTNF-UHFFFAOYSA-N 276.145 -0.485 50 20 CBGD C[C@@H](CCN1CCN(C)CC1)NCc1ccc(B(O)O)o1 585036993 SSYOUBHSBADNDA-LBPRGKRZSA-N 295.192 -0.925 50 20 CBGD CC(C)[C@@H](CO)CNCc1ccc(B(O)O)cc1F 585040908 RNRYXADHPLWXKW-LLVKDONJSA-N 269.125 -0.140 50 20 CBGD CCCN1CC[C@@H](NCc2cccc(B(O)O)c2)C1 585049446 GWPRUWPIZIQJMU-CQSZACIVSA-N 262.162 -0.060 50 20 CBGD COc1ccc(C(=O)CCC(=O)NCB(O)O)cc1OC 585057970 PORGGWWMRVDTJB-UHFFFAOYSA-N 295.100 -0.205 50 20 CBGD O=S(=O)(CCCCCl)N1CC[C@H](B(O)O)C1 585058761 PCLVMPLXASELHV-QMMMGPOBSA-N 269.559 -0.116 50 20 CBGD O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCB(O)O 585063165 ZSYVETPNKSAAOR-DUXPYHPUSA-N 268.009 -0.125 50 20 CBGD CN1CCC[C@@H](NS(=O)(=O)CBr)C1=O 704346549 XIVOXTQADGPNCK-ZCFIWIBFSA-N 285.163 -0.121 50 20 CBGD CCn1cc(S(=O)(=O)NNC(=O)NC(C)C)cn1 727362004 LBPROIJBRGBMOP-UHFFFAOYSA-N 275.334 -0.196 50 20 CBGD Cn1nc(SCC(=O)NN=CC2CC2)c(=O)n(C)c1=O 755618762 CDYAOGPVRGONRA-UHFFFAOYSA-N 297.340 -0.917 50 20 CBGD CC[C@H](C)[C@@H](C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758041084 WGJZNPCBJDBEPA-DJLDLDEBSA-N 293.389 -0.246 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCCOC(C)C 758717562 DTLWGLNCXALOKZ-SNVBAGLBSA-N 291.348 -0.207 50 20 CBGD NC(=O)NC1(C(=O)NN=c2cc[nH]cc2Cl)CC1 768444601 RWHNFZGPNOKCEC-UHFFFAOYSA-N 269.692 -0.199 50 20 CBGD C[C@@H](O)[C@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 780359443 MKVLPKCBVDUTTK-SCZZXKLOSA-N 255.318 -0.754 50 20 CBGD Cn1cc([C@H](O)CNS(=O)(=O)CBr)cn1 782454657 NJECEZPKRYCBKH-SSDOTTSWSA-N 298.162 -0.275 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1ccccn1 782478321 MYKVOMDQMAIEOM-UHFFFAOYSA-N 258.303 -0.064 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)c1ccc[nH]1 785067951 ZSCOTHACBMRWJF-QMMMGPOBSA-N 250.258 -0.604 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCOC2)CC1 788165824 HFTMLGNHGYAZHA-VIFPVBQESA-N 256.306 -0.989 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NOCCSC 793423265 HBPBNRFNXSRLQJ-MRVPVSSYSA-N 295.361 -0.337 50 20 CBGD CN(C)CC(=O)NN=C1CC(=O)N2CCCC[C@H]12 799478725 NTNRMRGNNRNKSQ-SNVBAGLBSA-N 252.318 -0.195 50 20 CBGD COC(=O)COCC(=O)NNC(=O)c1ccncc1 806275280 AHXRSTLTRLKRCB-UHFFFAOYSA-N 267.241 -0.968 50 20 CBGD Cn1nncc1NC(=O)NNC(=O)Cc1cccnc1 809904392 WTHZUFAAGQYJFD-UHFFFAOYSA-N 275.272 -0.395 50 20 CBGD CS(=O)(=O)CCCNC(=O)NNc1ncncc1F 814291778 YSKLRENBZJJVBQ-UHFFFAOYSA-N 291.308 -0.324 50 20 CBGD CC(=O)N1CC(C(=O)NNc2ncncc2F)C1 817080726 CBWUYSBLBVSWLD-UHFFFAOYSA-N 253.237 -0.463 50 20 CBGD CNS(=O)(=O)CCNC(=O)[C@@]1(C)C[C@@H]1Br 824059128 CNDOVEKYHITKDH-XPUUQOCRSA-N 299.190 -0.175 50 20 CBGD CC(C)CC(=O)NNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 827315868 VXBLDCUUMYPGQH-RKDXNWHRSA-N 286.332 -0.181 50 20 CBGD CCOc1ncc(C)cc1NC(=O)NNC(=O)CO 836708679 OPIUSBLTMSPIGJ-UHFFFAOYSA-N 268.273 -0.066 50 20 CBGD C[C@]1(CN)CCN(CC(=O)NNC(=O)C2CC2)C1 843382915 UAFRGPITNFOVOM-GFCCVEGCSA-N 254.334 -0.786 50 20 CBGD CC[C@H](C#N)C(=O)NNC(=O)CNC(=O)c1ccco1 845378248 AOLQRYLHEZALAZ-MRVPVSSYSA-N 278.268 -0.293 50 20 CBGD CNC(=S)N(C)NC(=O)COc1ccc(C(N)=O)cc1 854925142 CMCOQLGBFIRIJC-UHFFFAOYSA-N 296.352 -0.368 50 20 CBGD C=CCSCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858176038 IPBGGHZLWBKUQO-MRVPVSSYSA-N 286.357 -0.485 50 20 CBGD CSC[C@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858233834 VSNCBXZGKRJGCN-NKWVEPMBSA-N 274.346 -0.653 50 20 CBGD CCn1cc(C(=O)NNC(=O)C(C)(C)O)c(C)n1 861205560 FXHNBJSMMMKJRK-UHFFFAOYSA-N 254.290 -0.257 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2csc([N+](=O)[O-])c2)N1 862452480 WSCOEIFVPPIQMS-LURJTMIESA-N 298.280 -0.304 50 20 CBGD COc1cc(C(C)=NNC(=O)[C@H]2CCC(=O)N2)on1 863149849 HIHDURWVOAHVIP-SSDOTTSWSA-N 266.257 -0.198 50 20 CBGD CC[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)N(CC)CC 863463061 CUECPPUTUNGBQF-VIFPVBQESA-N 293.389 -0.701 50 20 CBGD CSCC(C)(C)C(=O)NNC(=O)CS(C)(=O)=O 863465603 CRKQTTKWIDYSMS-UHFFFAOYSA-N 282.387 -0.432 50 20 CBGD CC(C)OC(=O)CNC(=O)c1cccc(B(O)O)c1 863873915 KHBFZYMPIQEQKD-UHFFFAOYSA-N 265.074 -0.952 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H](OC)C(C)C 869908146 XWIMBMYGIGXMDY-SNVBAGLBSA-N 262.306 -0.532 50 20 CBGD CS(=O)(=O)N1CC(C(=O)NNc2ccc(F)cn2)C1 913807757 SMOQTNFAEGZDRI-UHFFFAOYSA-N 288.304 -0.445 50 20 CBGD CCN1C[C@H](C(=O)NNC(=O)CC(F)(F)F)CC1=O 920458492 VPXROASROYDSLL-ZCFIWIBFSA-N 281.234 -0.045 50 20 CBGD C[C@H](C(=O)NNC(=O)C(=O)NC1CC1)C(F)(F)F 1116142156 VXVUWQOVZUIXNM-SCSAIBSYSA-N 267.207 -0.389 50 20 CBGD Cn1cc(C(=O)NNC(=O)NC[C@@H]2CCCOC2)cn1 1116793982 UPOSNGRVZCMXND-VIFPVBQESA-N 281.316 -0.209 50 20 CBGD Cc1ccnc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 1119084608 XYZXHWYRNZKGOX-SNVBAGLBSA-N 291.311 -0.501 50 20 CBGD O=C(CCn1cccn1)NNC(=O)C1CCOCC1 1119344491 NYVTXWFIPKBLRU-UHFFFAOYSA-N 266.301 -0.153 50 20 CBGD O=C(CCCN1C(=O)CNC1=O)NNC(=O)C1CCC1 1251771929 PYEHNHOLAADUGU-UHFFFAOYSA-N 282.300 -0.734 50 20 CBGD Cn1ccnc(NNC(=O)COC[C@H]2CCCO2)c1=O 1252517803 ANFZMDACKDGZLW-SECBINFHSA-N 282.300 -0.581 50 20 CBGD O=C(c1ccnc(N2CCCC2)n1)N1CC[C@H](B(O)O)C1 1330262951 VWCDDMLZINXVCG-JTQLQIEISA-N 290.132 -0.234 50 20 CBGD CN(C)C(=O)CCNC(=O)NNC(=O)C1CCOCC1 1330839233 BMPNMEAPVVLQNJ-UHFFFAOYSA-N 286.332 -0.778 50 20 CBGD C[C@H]1C[C@H](NC(=O)NNC(=O)C2CCOCC2)CO1 1333609443 ZDMCZDKCUJCKIU-WPRPVWTQSA-N 271.317 -0.079 50 20 CBGD Nc1ccc2c(N3CC[C@@H](B(O)O)C3)ncnc2n1 1335430526 HAKCCKXHUQPXMX-SSDOTTSWSA-N 259.078 -0.340 50 20 CBGD CCn1nc(C(=O)NNc2nccc(OC)n2)ccc1=O 1338826586 YRSRLYUCUMMMRA-UHFFFAOYSA-N 290.283 -0.181 50 20 CBGD CCCNC(=O)NNC(=O)CN1CCC(CO)CC1 1346764167 SNKGYAIXCRQZSL-UHFFFAOYSA-N 272.349 -0.569 50 20 CBGD OC[C@@H]1CN(CCI)C[C@H]1CO 1348209898 DXHULTPICUQPAS-YUMQZZPRSA-N 285.125 -0.046 50 20 CBGD O=C(NNc1cc(Br)ncn1)C1(O)CNC1 1574334955 XCTVSCQLSSGQEZ-UHFFFAOYSA-N 288.105 -0.984 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@@]12CCCNC2)c1ncon1 1580733582 YHXQVNTZALWRLU-RDDDGLTNSA-N 265.273 -0.780 50 20 CBGD CC(C)[C@H](C(=O)O)C(=O)NNC(=O)c1ncccn1 1588808345 POQFGQVUIFFVEI-ZETCQYMHSA-N 266.257 -0.406 50 20 CBGD C[C@]1(C(=O)NNc2ncccc2C(=O)O)CCNC1=O 1589181259 IYKADXVYVJIRHZ-LBPRGKRZSA-N 278.268 -0.251 50 20 CBGD O=C(CN1C[C@H]2CC[C@H]1[C@@H](C(=O)O)C2)NNC(=O)C1CC1 1601307042 SYLHQHCJZQVUOS-LSJOCFKGSA-N 295.339 -0.271 50 20 CBGD O=C(NCC1(C(=O)O)CCCC1)c1ccc(B(O)O)cc1 1601470703 GYTWQICAFSRMEQ-UHFFFAOYSA-N 291.112 -0.259 50 20 CBGD O=C(O)CCC(=O)NNc1ccc(-n2ccnc2)nn1 1606101849 UEXDEQKOTXLLRZ-UHFFFAOYSA-N 276.256 -0.030 50 20 CBGD Cn1nc(C(=O)O)cc1NC(=O)NNC(=O)[C@H]1CCCO1 1608144597 YJGDNPXEZMIXTE-SSDOTTSWSA-N 297.271 -0.550 50 20 CBGD O=C(NCc1ccc(Cl)nc1)NNC(=O)C(=O)O 1608468501 SNKLZCJSZAKTJD-UHFFFAOYSA-N 272.648 -0.350 50 20 CBGD O=C(CN1CSCC1=O)NNC(=O)c1ccccn1 7909613 FWYZEWQZTNWLGX-UHFFFAOYSA-N 280.309 -0.625 50 20 CBGD CC(C)(C)OC(=O)N1CCN(CCC(=O)NN)CC1 22016216 MBYNEXTUNOZKGW-UHFFFAOYSA-N 272.349 -0.081 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NCCN1CCOCC1 124850264 XHAWCTPBTWGLNK-UHFFFAOYSA-N 272.349 -0.305 50 20 CBGD CO[C@H](C)CCC(=O)NNC(=O)c1cnn(C)c1 181480354 PPKDGUAJNYXLJM-MRVPVSSYSA-N 254.290 -0.004 50 20 CBGD COc1ccc(CCC(=O)NNC(=O)CO)cc1F 182756891 NEKUOBZEFCSGLS-UHFFFAOYSA-N 270.260 -0.093 50 20 CBGD Cn1cnn(CC(=O)NNc2nnc(C3CC3)s2)c1=O 184510393 UBVGTJPAEYLWLY-UHFFFAOYSA-N 295.328 -0.546 50 20 CBGD CN(C)C(=O)NNC(=O)CNC(=O)Cc1ccccc1 194932721 WGESVQDIHSRLBX-UHFFFAOYSA-N 278.312 -0.352 50 20 CBGD COc1cc(C)nc(NNC(=O)CCn2ccnn2)n1 266982669 ZNGBRZVHSYAKRY-UHFFFAOYSA-N 277.288 -0.081 50 20 CBGD CCOC(=O)NCCC(=O)NNC(=O)c1cc(C)n[nH]1 269023826 KJXNLVPUUVCJNT-UHFFFAOYSA-N 283.288 -0.385 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CN3CCCN2CC3)o1 367037261 KORMUBMBUDIBFB-NSHDSACASA-N 292.339 -0.261 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=O)Cc1ccncc1 492847084 UWLHNMXADSQLSD-UHFFFAOYSA-N 280.284 -0.530 50 20 CBGD CN(CC(=O)Nc1cccc(B(O)O)c1)[C@H]1CCSC1 584910431 BNKQUKKYBVCGAD-LBPRGKRZSA-N 294.185 -0.258 50 20 CBGD Cc1c([C@H](C)NC(=O)c2cccc(B(O)O)c2)cnn1C 584930943 HATHBSJVSSMFQH-VIFPVBQESA-N 287.128 -0.101 50 20 CBGD O=C(NC[C@@H]1CCCC[C@H]1O)c1ccc(B(O)O)cc1 584950872 NESNJXNXKRFOFA-WCQYABFASA-N 277.129 -0.353 50 20 CBGD CN1CCC(C)(NC(=O)c2ccc(B(O)O)c(F)c2)CC1 584977066 WGTKLUWMODDGMD-UHFFFAOYSA-N 294.135 -0.280 50 20 CBGD O=C(N[C@H]1CC[C@@H](F)C1)c1cccc(B(O)O)c1 584990480 XGUDGJHSQOIFSN-MNOVXSKESA-N 251.066 -0.013 50 20 CBGD O=C(NC[C@@H](CO)CC1CC1)c1ccc(B(O)O)c(F)c1 585006176 SEDPQMSCVYCJQZ-JTQLQIEISA-N 295.119 -0.356 50 20 CBGD C[C@H](CCn1cncn1)NCc1cccc(B(O)O)c1 585018524 XKSRKZLQQHHCGM-LLVKDONJSA-N 274.133 -0.474 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCc3ncnn3C2)c(F)c1 585021661 NADTWCMQZYFROJ-LLVKDONJSA-N 290.107 -0.798 50 20 CBGD O=C1CCC[C@H](CNCc2ccccc2B(O)O)N1 585038392 CRZOUUJBAYESPU-LLVKDONJSA-N 262.118 -0.875 50 20 CBGD COCCCOCc1nc(-c2ccc(B(O)O)cc2)no1 585050622 FADFNDOILODYON-UHFFFAOYSA-N 292.100 -0.031 50 20 CBGD CC1(c2nc(-c3cccc(B(O)O)c3)no2)COC1 585053001 DNKFOMYXVNLKAD-UHFFFAOYSA-N 260.058 -0.296 50 20 CBGD N#Cc1cc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)ccc1F 585058068 SIZVAFUIFLXPED-SECBINFHSA-N 298.104 -0.065 50 20 CBGD C[C@@H](NC(=O)NNC(=O)Cc1cccnc1)C(=O)N(C)C 728957699 IEJCJLNQFUFFOT-SECBINFHSA-N 293.327 -0.569 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(C(=O)O)o1 737542839 KESLMIMVOMPWBT-UHFFFAOYSA-N 263.231 -0.900 50 20 CBGD CNC(=O)NNS(=O)(=O)C[C@@H]1CCCCO1 740811336 BTNBXQWJIRXWCT-ZETCQYMHSA-N 251.308 -0.681 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCO[C@@H]1C 747751513 MSAAJEMFKAAARM-NKWVEPMBSA-N 263.319 -0.795 50 20 CBGD Cc1cccnc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 749872770 BBXRLYUGKLXVPS-VIFPVBQESA-N 297.336 -0.414 50 20 CBGD Cc1oc(C(=O)NNC(=O)C2CC2)cc1S(N)(=O)=O 755626444 LVZLEDSWABROKO-UHFFFAOYSA-N 287.297 -0.594 50 20 CBGD C[C@@]1(C(=O)NNc2ccc(C(N)=O)nn2)CCOC1 758326808 VTECNGMLMQPXEP-LLVKDONJSA-N 265.273 -0.555 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCC[C@H](C(N)=O)C1 768245695 DLIJSDZLZQJPNR-YUMQZZPRSA-N 271.317 -0.804 50 20 CBGD O=C(NC[C@@H]1CCC=CO1)NNC(=O)C(=O)N1CCCC1 780743759 MHZPAQNCKBTLSG-JTQLQIEISA-N 296.327 -0.368 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cccc2nn[nH]c12 783585577 SMIUQODSBZMXSU-UHFFFAOYSA-N 290.283 -0.356 50 20 CBGD CC(C)C(C)(C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 784781095 XPFWFPQIBINUSQ-MRVPVSSYSA-N 293.389 -0.246 50 20 CBGD CC(C)C(=O)NNC(=O)COCc1ccnn1C 785691634 VPQKRBQRFDEOIZ-UHFFFAOYSA-N 254.290 -0.260 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)C1CC(=O)C1 788164803 SUUUMNHDQVIWFZ-UHFFFAOYSA-N 272.301 -0.098 50 20 CBGD CC1(C)CN(CC(=O)NNC(=O)C2CC2)C[C@H]1O 790451122 QUDTZHZHISWUDS-SECBINFHSA-N 255.318 -0.754 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnn(CCF)c1 806772491 QOZZLYHSNGVBSL-UHFFFAOYSA-N 257.269 -0.825 50 20 CBGD COC1(CC(=O)NNC(=O)N2CCN(C)CC2)CCC1 807381459 VKRSAOVXHAKJOO-UHFFFAOYSA-N 284.360 -0.066 50 20 CBGD CCCCS(=O)(=O)CC(=O)NN(C)[C@@H](C)CO 823384670 QYISJQVAFBFHJD-VIFPVBQESA-N 266.363 -0.455 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@H]2CCCCN2C)n[nH]1 823825020 VEOZKTCXKFILPP-NSHDSACASA-N 279.344 -0.108 50 20 CBGD COc1ccnc(NNC(=O)N[C@@H]2COC[C@H]2OC)n1 827919990 SFKBZHBPDHWFBY-HTQZYQBOSA-N 283.288 -0.475 50 20 CBGD NC1(CNC(=O)NNC(=O)C(=O)N2CCCC2)CCCC1 851671364 LTXRRRKHRAYKQT-UHFFFAOYSA-N 297.359 -0.789 50 20 CBGD N[C@@]12CCC[C@H]1CN(CC(=O)NNC(=O)C1CC1)C2 857086571 WCTJFEYQNYRTAL-GXFFZTMASA-N 266.345 -0.643 50 20 CBGD CCCN1CCC[C@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862453735 NBQDBCOMLSWLEV-UWVGGRQHSA-N 282.344 -0.713 50 20 CBGD Cc1cc(=NNC(=O)CCC(=O)N2CCOCC2)cc[nH]1 862508480 SIWDUDKFGYHVEQ-UHFFFAOYSA-N 292.339 -0.106 50 20 CBGD COC(=O)c1coc(C=NNC(=O)CS(C)(=O)=O)c1 863186734 JSZSLOBSCRYLPG-UHFFFAOYSA-N 288.281 -0.439 50 20 CBGD CSc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)o1 863463270 HXSWVMAZGSEXEP-UHFFFAOYSA-N 292.338 -0.193 50 20 CBGD CN1CCN(C(=O)NNC(=O)CCc2cn[nH]c2)CC1 863909096 OTCPSBQILJMKGH-UHFFFAOYSA-N 280.332 -0.670 50 20 CBGD O=C(/C=C\CN1CCOCC1)NNc1cccnn1 867356434 UGGPOWFYZRNROB-RQOWECAXSA-N 263.301 -0.192 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CCc2nccn2C1 869904499 ZTAVZIQLFRGNKB-SNVBAGLBSA-N 296.327 -0.744 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H](C)C(F)(F)F 869909572 BPNITLNMURVBKD-LURJTMIESA-N 272.223 -0.005 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@H](OC)C1 878970307 NCHSBNVLSGUTSZ-SCZZXKLOSA-N 259.306 -0.763 50 20 CBGD Cn1nccc1NC(=O)NNC(=O)C1CCOCC1 879183400 VFVHVUBIVYRWHW-UHFFFAOYSA-N 267.289 -0.001 50 20 CBGD C[C@]1(C(=O)NCCn2cnnn2)C[C@@H]1Br 906994525 UQMNDELRXWMKJH-XPUUQOCRSA-N 274.122 -0.037 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CC(=O)NCC(F)(F)F 910152136 LUEKVIVKUIOKJQ-ZCFIWIBFSA-N 271.239 -0.601 50 20 CBGD COc1ccc(NC(=O)C(=O)NN(C)C[C@@H](C)O)cc1 910167824 NLOGJGDCYMGBJL-SECBINFHSA-N 281.312 -0.023 50 20 CBGD CC(C)CC(=O)NNC(=O)CCNS(C)(=O)=O 914879311 UGHFIEYHJUNVPF-UHFFFAOYSA-N 265.335 -0.881 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)c1ccc(C)cc1O 918341067 LMKFOJHANLKNAB-QMMMGPOBSA-N 279.296 -0.014 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)NC[C@@H]2CCN2C)n1 925395550 WORRAKRPOLDCDS-NSHDSACASA-N 294.359 -0.466 50 20 CBGD CC[C@@](C)(O)C(=O)NNC(=O)N1CCN(C)CC1 935861001 YVUMMUWIXQTYIA-LLVKDONJSA-N 258.322 -0.864 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccoc1CC(N)=O 1118280295 UHNZOMUVKYWBKT-HTQZYQBOSA-N 295.295 -0.507 50 20 CBGD CC(=O)N1CC[C@@H](NC(=O)NNC(=O)C(C)C)C1 1118753474 ZDSNAHNBIGAEMW-SECBINFHSA-N 256.306 -0.406 50 20 CBGD CCOC1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 1118864359 OSBTYOQPXJIGEP-SNVBAGLBSA-N 298.343 -0.493 50 20 CBGD Cn1cc(CCC(=O)NNC(=O)c2cnn(C)c2)cn1 1251915433 VWOWYVLLIWWCFQ-UHFFFAOYSA-N 276.300 -0.453 50 20 CBGD NC(=O)C1(NS(=O)(=O)CCl)CCOCC1 1260936913 RIEYNBVTNQEGRY-UHFFFAOYSA-N 256.711 -0.863 50 20 CBGD O=C(NNC(=O)C1CC1)C(=O)Nc1cccnc1F 1261460287 YNGKCRYQRNPTCT-UHFFFAOYSA-N 266.232 -0.283 50 20 CBGD COC(=O)C(=O)NNC(=O)Nc1cccc(C#N)c1 1318892009 WPSLMDMGYCSUCN-UHFFFAOYSA-N 262.225 -0.116 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NC1CCOCC1 1318936537 XDVPDEUTAMNRFL-VIFPVBQESA-N 289.332 -0.453 50 20 CBGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNc1ncccn1 1321573906 PJSYANRFEJJPRZ-UHFFFAOYSA-N 299.294 -0.193 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1cnc(C)s1 1325519501 LRDMOGIJPYRXKQ-UHFFFAOYSA-N 286.313 -0.426 50 20 CBGD C[C@H]1C[C@H](NC(=O)NNC(=O)C2CCNCC2)CO1 1326063120 XTKLZTWOHDYDOA-WPRPVWTQSA-N 270.333 -0.506 50 20 CBGD CNC(=S)NNC(=O)C1CCN(c2ncccn2)CC1 1326362064 NTKGTMDFBLPAIL-UHFFFAOYSA-N 294.384 -0.182 50 20 CBGD O=C(NNC(=O)C12CCCN1CCC2)c1cc[nH]n1 1328391146 MBMKSPRMHNRJHQ-UHFFFAOYSA-N 263.301 -0.201 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CCc1ccco1 1329624960 COAMEEGQDVLONQ-UHFFFAOYSA-N 274.298 -0.596 50 20 CBGD COCC#CC(=O)NNC(=O)CCCNC(=O)C(C)(C)C 1330946509 URYPAFRFLZRNIM-UHFFFAOYSA-N 297.355 -0.274 50 20 CBGD C[C@@H](C(=O)NNC(=O)C1CCOCC1)N1CCN(C)CC1 1332255046 PGOAYYOESQOJSW-NSHDSACASA-N 298.387 -0.804 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C[C@@H]2CC(=O)N2)o1 1334250908 KPXIIJUYGABAIT-ZETCQYMHSA-N 251.242 -0.372 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1CC[C@@H]1C(N)=O 1349776410 GNKWHSYUTXUXLY-NKWVEPMBSA-N 258.347 -0.598 50 20 CBGD C[C@@H](CC(=O)NNC(=O)[C@H]1CCN1)n1cccn1 1575927567 ZZMUHSJXZNGKPM-DTWKUNHWSA-N 251.290 -0.657 50 20 CBGD CC1(C(=O)NCCSS(C)(=O)=O)CNC1 1576342998 ZXNQONAPFHWHNZ-UHFFFAOYSA-N 252.361 -0.595 50 20 CBGD Cn1ccc(NNC(=O)[C@@]2(CN)CCCOC2)n1 1579972568 GTNKSHNLDSQGBN-LLVKDONJSA-N 253.306 -0.381 50 20 CBGD NCCNC(=O)NNC(=O)c1cnc(CC2CC2)s1 1580312624 PJCZVHMFDGAWSS-UHFFFAOYSA-N 283.357 -0.002 50 20 CBGD CC1(C)C[C@]1(C(=O)O)C(=O)NNC(=O)CN1CCCC1=O 1589219614 OWIOFNJTNMZDDV-CYBMUJFWSA-N 297.311 -0.743 50 20 CBGD COC(=O)NNC(=O)c1cc(-c2nn[nH]n2)ccn1 1591274893 ASJPBQGRTLGMLQ-UHFFFAOYSA-N 263.217 -0.738 50 20 CBGD CC(C)NC(=O)C(=O)NN=Cc1cc(C(=O)O)co1 1591635867 SOZORFSFADVIJU-UHFFFAOYSA-N 267.241 -0.048 50 20 CBGD CC[C@@H](C(=O)O)C(=O)NNc1ncnc2[nH]cnc12 1594755283 FMQIIGBGBJKLNL-RXMQYKEDSA-N 264.245 -0.093 50 20 CBGD O=C(/C=C/c1ccc(C(=O)O)o1)NNC(=O)c1ncon1 1601235716 FYMNDBMXXLMQNA-DUXPYHPUSA-N 292.207 -0.165 50 20 CBGD O=C(CCc1ocnc1C(=O)O)NNC(=O)c1cn[nH]c1 1601297344 VYLACHZAZOOLFV-UHFFFAOYSA-N 293.239 -0.510 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)c2cn[nH]c2)O[C@H]1C(=O)O 1607442979 ZPZXRWKHBBKNEU-LPBLVHEISA-N 282.256 -0.951 50 20 CBGD Cc1cnn(CCC(=O)NNC(=O)c2cnn(C)c2)c1 117683302 ATJWKCPPBXVXNB-UHFFFAOYSA-N 276.300 -0.224 50 20 CBGD COc1nccnc1NNC(=O)CCn1cncn1 184370496 YIEBDQYOYQMNMG-UHFFFAOYSA-N 263.261 -0.390 50 20 CBGD COCCCNC(=O)NNC(=O)Cn1ccc(C)cc1=O 278140353 NKLVCEVOHIJWPS-UHFFFAOYSA-N 296.327 -0.476 50 20 CBGD C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)C(C)(C)O 281506589 GKFVWDLKMKJGTR-YUMQZZPRSA-N 256.302 -0.090 50 20 CBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)[C@@H]1CCCO1 292060723 COHCRLOXFZCPPV-SFYZADRCSA-N 258.274 -0.488 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)N1 298198668 FMKMVVRAZYLSPQ-VIFPVBQESA-N 292.251 -0.366 50 20 CBGD CC(C)NS(=O)(=O)c1ccc(NNC(N)=O)nc1 298851649 LICJJJVCOMIMOL-UHFFFAOYSA-N 273.318 -0.237 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNc1cnccn1 378438802 LFSHKGPXXWBLEI-VIFPVBQESA-N 251.290 -0.360 50 20 CBGD CC(=O)NNS(=O)(=O)c1csc(C(=O)O)c1 381249478 PANGWVSTIFOCEJ-UHFFFAOYSA-N 264.284 -0.224 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)/C=C/c1ccc[nH]1 491955802 PJDGINNBTSEOOV-AATRIKPKSA-N 264.285 -0.300 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)OC(C)(C)C)C1 492818007 GMWRODWTXIJMJH-MRVPVSSYSA-N 259.306 -0.127 50 20 CBGD COC(=O)NNC(=O)CNC(=O)c1ccc(O)cc1 495448001 KPUAAMDANQHNGS-UHFFFAOYSA-N 267.241 -0.491 50 20 CBGD CO[C@H]1COCC[C@H]1CC(=O)Nc1cccc(B(O)O)c1 584913000 YWVDHKABWOQRLD-GWCFXTLKSA-N 293.128 -0.254 50 20 CBGD COC[C@@H](C)CN(C)C(=O)c1ccc(B(O)O)cc1 584961847 YIXVYFULAIMHFS-JTQLQIEISA-N 265.118 -0.279 50 20 CBGD CO[C@@]1(CNC(=O)c2cc(B(O)O)ccc2F)CCOC1 584976043 PNVWAOPWPGGAFB-CYBMUJFWSA-N 297.091 -0.959 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC(OC(F)F)C1 584984649 WZGCMHJIXASKCD-UHFFFAOYSA-N 289.018 -0.431 50 20 CBGD CC1(C)COCCN1C(=O)c1cccc(B(O)O)c1 584984799 CIEDSFIMWIMFAT-UHFFFAOYSA-N 263.102 -0.383 50 20 CBGD O=C(NCCCOC(F)F)c1cc(B(O)O)ccc1F 584987498 PRXPXRXTBSLFJA-UHFFFAOYSA-N 291.034 -0.135 50 20 CBGD N#C[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)CC1(F)F 584991679 FRGAKZGHSUMVDY-SNVBAGLBSA-N 294.066 -0.013 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)CC[C@H]1O 585006926 RQPSEGQVOALHEW-DFAYQTQMSA-N 295.119 -0.215 50 20 CBGD CCN1CCC(NCc2cccc(B(O)O)c2)CC1 585014522 URFUGFJYKZPMNH-UHFFFAOYSA-N 262.162 -0.060 50 20 CBGD CN(C)C(=O)CCNCc1ccc(B(O)O)cc1F 585021877 FAOCYUKURWRWBJ-UHFFFAOYSA-N 268.097 -0.927 50 20 CBGD OB(O)c1ccc(CNCCc2cnc(C3CC3)nc2)o1 585032473 VJWIYGROWFXTFV-UHFFFAOYSA-N 287.128 -0.041 50 20 CBGD CCn1ccc(CNCc2ccccc2B(O)O)n1 585046500 RVCMSHSEELAQLC-UHFFFAOYSA-N 259.118 -0.127 50 20 CBGD Cn1nnc2c1CC[C@@H](NCc1ccccc1B(O)O)C2 585046788 YIKUXRXNCQHCHC-LLVKDONJSA-N 286.144 -0.858 50 20 CBGD O=C(NCB(O)O)c1cc(Br)ccc1O 585063361 YMTFCMYTWAZHIB-UHFFFAOYSA-N 273.879 -0.104 50 20 CBGD CN(C)c1ncccc1C(=O)N1CC[C@@H](B(O)O)C1 585069840 QEPQMFMBAARXIF-SECBINFHSA-N 263.106 -0.164 50 20 CBGD CC(C)(C)N1C[C@@H](C(=O)N2CC[C@H](B(O)O)C2)CC1=O 585074791 CQDCMCCBKRPGAY-UWVGGRQHSA-N 282.149 -0.291 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc2c(c1)OCO2 727364440 NSSJEXHGRONZBW-UHFFFAOYSA-N 265.269 -0.262 50 20 CBGD Cc1ccc(C)c(S(=O)(=O)NCC(=O)NN)c1 731450627 FNZQTVVJABZATE-UHFFFAOYSA-N 257.315 -0.428 50 20 CBGD CCOC(=O)/C(C#N)=C/NCC(C)(C)NS(C)(=O)=O 731595379 UQYTUFSVMISSPE-VQHVLOKHSA-N 289.357 -0.126 50 20 CBGD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NNc1cccnn1 736704402 WZCJXXHHBBTLPG-UHFFFAOYSA-N 290.239 -0.310 50 20 CBGD COCCS(=O)(=O)NNC(=O)c1cccc(C#N)c1 737757663 WGTYXCYLJMCNBR-UHFFFAOYSA-N 283.309 -0.231 50 20 CBGD CCOCCNC(=S)NNC(=O)C(=O)N1CCCC1 751007612 DVNQPRRCTBJUQG-UHFFFAOYSA-N 288.373 -0.859 50 20 CBGD Cn1cc([C@@H](CO)NC(=O)NNC(=O)C2CCCC2)cn1 753340068 PFXNWNBXSLEQBE-LLVKDONJSA-N 295.343 -0.026 50 20 CBGD O=C(CO)NNC(=O)c1ccnc(OCC(F)F)c1 753436576 AGCQMNPQTAUFSJ-UHFFFAOYSA-N 275.211 -0.521 50 20 CBGD C#CCOCCC(=O)NNC(=O)N1CCOCC1 755773011 ARTFZYLRZVLGGD-UHFFFAOYSA-N 255.274 -0.901 50 20 CBGD CCOCC(=O)NNC(=O)NCCC[C@@H](C)CO 759633662 ILHUQMIKSVELHE-SECBINFHSA-N 261.322 -0.238 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)c1cccc(C#N)c1 761157029 SGDQDTALHIXTOQ-UHFFFAOYSA-N 275.268 -0.752 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)c2cccnc2)C1=O 771845381 JCDYGUKMSMJVQW-SECBINFHSA-N 262.269 -0.679 50 20 CBGD CNC(=O)NNC(=O)COCCNC(=O)c1ccccc1 784626339 QJQXDANICIZXOR-UHFFFAOYSA-N 294.311 -0.607 50 20 CBGD CSC1(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 800813210 RXLPFSRUMVYIPV-SSDOTTSWSA-N 279.387 -0.078 50 20 CBGD NC(=O)CSCC(=O)NNc1cccc(F)n1 804765446 NYCCOORAJCRWBU-UHFFFAOYSA-N 258.278 -0.118 50 20 CBGD COC[C@@](C)(O)C(=O)NNc1ccc(-n2ccnc2)nn1 804959053 XNOBXZNGZCSEBE-GFCCVEGCSA-N 292.299 -0.497 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cn(C)nn1 808664487 ZCUKKMQFIMPLPS-QMMMGPOBSA-N 297.315 -0.446 50 20 CBGD CN(C)CC(=O)NNC(=O)c1c[nH]nc1-c1ccccn1 810333528 DKLUBTROTDXUFR-UHFFFAOYSA-N 288.311 -0.206 50 20 CBGD COC[C@H](C)[C@H](C)C(=O)NNC(=O)C(=O)NC(C)C 812532866 JJLXDNRYBAPMSS-IUCAKERBSA-N 273.333 -0.423 50 20 CBGD CCNC(=O)CNC(=O)NNc1ncncc1F 814271426 JVVWFWDJRPKXIC-UHFFFAOYSA-N 256.241 -0.622 50 20 CBGD CCOCCS(=O)(=O)NCC(=O)NN(C)C1CC1 819649429 PIRSOVDKROLRIP-UHFFFAOYSA-N 279.362 -0.932 50 20 CBGD CC(C)N(CC(=O)O)CC(=O)NNC(=O)C(C)(C)C 820015464 VDCIWEMBLVDFHN-UHFFFAOYSA-N 273.333 -0.025 50 20 CBGD CCN(CCO)NC(=O)[C@H](C)CN1CCOCC1 823869150 BCSLUBBFOOSZEZ-LLVKDONJSA-N 259.350 -0.700 50 20 CBGD C[C@H](CO)N(C)NC(=O)CCOC[C@H]1CCCO1 823971785 ZJHCRMFWEGMAFL-GHMZBOCLSA-N 260.334 -0.084 50 20 CBGD COc1cccc(NNC(=O)C[C@H]2CC(=O)N2)n1 831882339 YJVRRWGROLRTMW-SSDOTTSWSA-N 250.258 -0.188 50 20 CBGD CCN1C[C@@H](NC(=O)NNC(=O)[C@H]2CCCCO2)CC1=O 836608595 VOHVBCNVZNTKHL-VHSXEESVSA-N 298.343 -0.493 50 20 CBGD COCC1(C(=O)NNC(=O)C(=O)N2CCCC2)CCCC1 837377001 CIQKBVRGSWUXPH-UHFFFAOYSA-N 297.355 -0.037 50 20 CBGD C[C@@H]1[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)CCN1C 843880955 YPALFCOHBRVKFQ-MWLCHTKSSA-N 277.328 -0.004 50 20 CBGD O=C(NNc1ccc(F)cc1)[C@H]1CCS(=O)(=O)N1 845143731 FQXYNHXDOSBPQE-SECBINFHSA-N 273.289 -0.040 50 20 CBGD COc1ccc(NNC(=O)[C@H]2CCS(=O)(=O)N2)cc1 846634557 ZFRGOGWNWDWHCU-SNVBAGLBSA-N 285.325 -0.170 50 20 CBGD CC(=O)N[C@@H](CC(=O)NNc1ccc(Cl)cn1)C(N)=O 856093321 GGTQZFAPAWEWBM-QMMMGPOBSA-N 299.718 -0.442 50 20 CBGD COC(=O)NCC(=O)NNc1ncc(Cl)cn1 857356167 VEVVQYIIQITSCE-UHFFFAOYSA-N 259.653 -0.071 50 20 CBGD CN(NC(=O)[C@@]1(C2CCCC2)CCNC1=O)C(N)=O 860516672 JRINXCJOICYHAG-GFCCVEGCSA-N 268.317 -0.275 50 20 CBGD COc1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)cc(O)c1O 863144842 BUJOKOVMIZWBFW-QMMMGPOBSA-N 293.279 -0.165 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)N1 863203819 JECIJEPWRCEFEW-QEYWKRMJSA-N 296.396 -0.051 50 20 CBGD COCCOCC(=O)NNC(=O)Cn1cc(Cl)cn1 869905812 PLNCJNXZLNTJMB-UHFFFAOYSA-N 290.707 -0.653 50 20 CBGD CN(C)C(=O)NNC(=O)/C=C1/SCC(=O)N1C 874248847 LFBFKLOHZLUIOI-XBXARRHUSA-N 258.303 -0.665 50 20 CBGD CCn1cc(C=NNC(=O)[C@H](C)OCCOC)nn1 901194756 NONDUCJFUFPNPR-VIFPVBQESA-N 269.305 -0.200 50 20 CBGD O=C(NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)[C@H]1CCCCO1 908517359 JMPYSOMROHHJHY-CZULRBLNSA-N 266.297 -0.072 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccn2nnnc2c1 910138952 NQYPWGVYALKLBX-ZETCQYMHSA-N 250.262 -0.918 50 20 CBGD O=C(NNc1ncncc1F)C1(O)CCOCC1 1117730581 MAAVOPNXCDXNTK-UHFFFAOYSA-N 256.237 -0.400 50 20 CBGD CCc1nc(C(=O)NNC(=O)CS(C)(=O)=O)co1 1118895284 NMLUFVUBWIPYIR-UHFFFAOYSA-N 275.286 -0.957 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1cncc(F)c1 1256560970 XECMMJMSLFUQLG-UHFFFAOYSA-N 284.247 -0.657 50 20 CBGD COc1ncccc1NC(=O)C(=O)NNC(=O)C1CC1 1325505278 FFIRIQFKGXJRFW-UHFFFAOYSA-N 278.268 -0.414 50 20 CBGD NC(=O)NCCC(=O)NNc1ccc(-n2ccnc2)nn1 1328670961 ZEZMZTYUWYMNSM-UHFFFAOYSA-N 290.287 -0.836 50 20 CBGD CCN(CC)S(=O)(=O)N1CCN(C(=O)CCl)CC1 1329302417 BAPCDERQPAEGPO-UHFFFAOYSA-N 297.808 -0.044 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F 1329835685 YDEXPLYVZADTNX-NTSWFWBYSA-N 296.249 -0.397 50 20 CBGD Cc1nccnc1C(=O)NNC(=O)C(=O)N1CCCC1 1330789940 HSLGADRBLRSPIJ-UHFFFAOYSA-N 277.284 -0.832 50 20 CBGD CO[C@@]1(C=NNC(=O)c2cccnn2)CCOC1 1330889555 BFASDIIOHIFZOM-LLVKDONJSA-N 250.258 -0.002 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCCc2c[nH]nc21 1333550657 WVSXYNVZGJRTEL-SSDOTTSWSA-N 281.272 -0.710 50 20 CBGD NC(=O)NCCCCC(=O)NNC(=O)NCC(F)(F)F 1344524171 OTQWLEKCLHBPPV-UHFFFAOYSA-N 299.253 -0.282 50 20 CBGD CCC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](B(O)O)C2)C1 1348489754 BNSORAPWXZWCDB-GHMZBOCLSA-N 282.149 -0.290 50 20 CBGD O=C(c1cccc(-n2cnnn2)c1)N1CC[C@@H](B(O)O)C1 1348490105 MXXMUFKBNQIKOA-SNVBAGLBSA-N 287.088 -0.649 50 20 CBGD O=C(NNC(=O)C1CCC1)c1cnn(CCO)c1 1527694739 QUVOGBCDKCPKGL-UHFFFAOYSA-N 252.274 -0.564 50 20 CBGD O=C(NN=Cc1cncnc1)[C@H]1CN2CCC[C@@H]2CO1 1549321393 SEPWXBGKPZRJHD-VXGBXAGGSA-N 275.312 -0.210 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@H]1C(=O)O)c1ccc[nH]1 1574578320 FCDIFYVHHITPIC-NKWVEPMBSA-N 251.242 -0.114 50 20 CBGD C[C@@H](CO)N(C)NC(=O)C1([C@]2(O)CCCNC2)CCC1 1576036367 INSAWLPNCHLJIP-FZMZJTMJSA-N 285.388 -0.385 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCCCC(=O)O 1589415447 IDQOBCKEZBIXQJ-DTWKUNHWSA-N 287.316 -0.003 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cccc(-c2nn[nH]n2)c1 1590001512 XUSHOCBITDWMDB-MRVPVSSYSA-N 276.300 -0.176 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNC(=S)N[C@@H](C)C1CC1 1593911024 FYODGWDUZRGDRV-FSPLSTOPSA-N 275.330 -0.620 50 20 CBGD O=C(NCc1cnc2n1CCCC2)NNC(=O)C(=O)O 1601547213 XMOCMPPXDTWDCP-UHFFFAOYSA-N 281.272 -0.866 50 20 CBGD O=C(O)CC(=O)NNC(=O)Cc1cn2ccccc2n1 1601888081 LDVKRYVHVFGOSP-UHFFFAOYSA-N 276.252 -0.501 50 20 CBGD COc1cc(-c2nn[nH]n2)ccc1C(=O)NN(C)C(N)=O 1605161169 QILSVNVJDCDUCD-UHFFFAOYSA-N 291.271 -0.469 50 20 CBGD O=C(O)c1cnc(C(=O)NNc2ncccn2)cn1 1606537615 NUORLRKRBGGSEX-UHFFFAOYSA-N 260.213 -0.278 50 20 CBGD CON(C(=O)c1cc(B(O)O)ccc1F)[C@@H](C)CC(=O)O 1606986311 HIULEIXVLLFXMG-ZETCQYMHSA-N 299.063 -0.628 50 20 CBGD O=C(NCCc1cc(F)cc(F)c1)NNC(=O)C(=O)O 1608450656 VBWLPOZBCQTIHE-UHFFFAOYSA-N 287.222 -0.078 50 20 CBGD O=C1CN(CC(=O)NNC(=O)c2ccc(F)cc2)CCN1 19534651 FCFXGDDYUBSWJD-UHFFFAOYSA-N 294.286 -0.982 50 20 CBGD CNC(=O)NNC(=O)CN1CCCCCCC1=O 48950306 MLYVIJPDXWCAPB-UHFFFAOYSA-N 256.306 -0.261 50 20 CBGD Cn1cc(C(=O)NNC(=O)NC[C@H]2CCCO2)cn1 49162067 WDYLAGWGHMHAHY-SECBINFHSA-N 267.289 -0.457 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 247647474 VTUAGNUSLOPJSY-AKEJEFCPSA-N 292.339 -0.360 50 20 CBGD COc1cc(C)nc(NNC(=O)N[C@H](C)C(=O)N(C)C)n1 266965821 NRPLNMPBCVQFGW-MRVPVSSYSA-N 296.331 -0.104 50 20 CBGD COC(=O)c1ccc(NNC(=O)CN2CCCC2=O)nc1 270371836 MBTMUEDIPXHAKT-UHFFFAOYSA-N 292.295 -0.066 50 20 CBGD Cn1cnn(CC(=O)NNC(=O)OC(C)(C)C)c1=O 272273127 YSOFZGAKDGLYGV-UHFFFAOYSA-N 271.277 -0.862 50 20 CBGD COCCC(C)(C)C(=O)NNC(=O)C(=O)NC1CC1 273508086 CXBZWNPUXFMSRS-UHFFFAOYSA-N 271.317 -0.525 50 20 CBGD COc1nccnc1NNC(=O)[C@@H](C)CS(C)(=O)=O 274015989 AWDNHDCDCOWIFA-ZETCQYMHSA-N 288.329 -0.391 50 20 CBGD C=CCNC(=S)NNC(=O)C(=O)N1CCC[C@@H](C)C1 281309425 RZRYTKQXZKFDGN-SECBINFHSA-N 284.385 -0.074 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNC(=O)c1cc(C)[nH]n1 367716426 DYEVOTKADWNJMK-JTQLQIEISA-N 281.316 -0.800 50 20 CBGD C=CCNC(=S)NNC(=O)[C@]1(C)CCN(C(C)=O)C1 373940995 ZBARFDKTYZRTAI-GFCCVEGCSA-N 284.385 -0.074 50 20 CBGD O=C(NCC1(O)CCCCC1)c1ccc(B(O)O)cc1 584947978 AXTKWEJEIWAXML-UHFFFAOYSA-N 277.129 -0.209 50 20 CBGD O=C(N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1CO)c1ccc(B(O)O)cc1 584962837 LBCMMDQOIWMZNC-VTPLQMEGSA-N 289.140 -0.497 50 20 CBGD CO[C@@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584968282 ABGWCRTZDYQALV-SNVBAGLBSA-N 281.092 -0.244 50 20 CBGD C[C@H](CO)CCCNC(=O)c1cc(B(O)O)ccc1F 584968473 XJYJRELUYZCDGL-VIFPVBQESA-N 283.108 -0.356 50 20 CBGD C[C@@H]1[C@H](CO)CCN1C(=O)c1cccc(B(O)O)c1 584982706 PTAQNFSTYLGMNM-KOLCDFICSA-N 263.102 -0.791 50 20 CBGD CC[C@@H]1COC[C@H]1NC(=O)c1ccc(B(O)O)cc1 585008511 WFSRPKXZNIZSLG-BXKDBHETSA-N 263.102 -0.479 50 20 CBGD OB(O)c1ccc(CNC[C@@H]2CCN(C3CC3)C2)cc1 585018202 SAHPXCPYXGRZEM-ZDUSSCGKSA-N 274.173 -0.060 50 20 CBGD CNC(=O)[C@H]1CCCC[C@@H]1NCc1ccc(B(O)O)o1 585029908 LWCLCDSHBSSKLC-QWRGUYRKSA-N 280.133 -0.646 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)cc1)c1ccn(C)n1 585046169 OFWDICSIUYYLJU-SNVBAGLBSA-N 259.118 -0.049 50 20 CBGD CCN1C[C@@H](CNCc2ccc(B(O)O)cc2)CC1=O 585046465 VQROPLVVXAIASO-GFCCVEGCSA-N 276.145 -0.676 50 20 CBGD O=S(=O)(NCB(O)O)c1cccnc1OCC(F)F 585057157 NUDYYUWDQGSXKX-UHFFFAOYSA-N 296.060 -0.984 50 20 CBGD O=C(COc1ccc(N2CCCC2=O)cc1)NCB(O)O 585060330 CNQMGBNNWLFCND-UHFFFAOYSA-N 292.100 -0.680 50 20 CBGD O=C(c1ccc2nn[nH]c2c1)N1CC[C@@H](B(O)O)C1 585064177 CYNHJVNXUMENCA-MRVPVSSYSA-N 260.062 -0.353 50 20 CBGD Cc1nc(N2CC[C@H](B(O)O)C2)ncc1[N+](=O)[O-] 585079195 UPLLTTONBBUKSB-ZETCQYMHSA-N 252.039 -0.254 50 20 CBGD Cc1ccsc1C(=O)NNC(=O)CS(C)(=O)=O 727348388 CYIVOHYTBYBEED-UHFFFAOYSA-N 276.339 -0.138 50 20 CBGD C=C(C)CNC(=S)NNC(=O)[C@H]1CCS(=O)(=O)C1 730596563 QEEZFUJKSQAHAJ-QMMMGPOBSA-N 291.398 -0.508 50 20 CBGD CC(C)(NC(=O)O)C(=O)NNC(=O)N1CCOCC1 736336195 DWCHVHXSTVFEJK-UHFFFAOYSA-N 274.277 -0.894 50 20 CBGD CNC(=O)NN=C1CCC2(CC1)NC(=O)NC2=O 758115437 DBXDTNWQTUYUAA-UHFFFAOYSA-N 253.262 -0.576 50 20 CBGD COc1nccnc1NNC(=O)[C@H]1CC(=O)N(C)C1 764483502 BSNFZUVTXDALQT-ZETCQYMHSA-N 265.273 -0.593 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(COC)CC1 772240310 JNXBMLWWMLROFN-QMMMGPOBSA-N 272.301 -0.098 50 20 CBGD COc1c([N+](=O)[O-])ccc(C=NNC(=O)CO)c1O 773080651 WJWVVIAYHIWYBW-UHFFFAOYSA-N 269.213 -0.249 50 20 CBGD O=C(Cc1ccccc1CO)NNC(=O)N1CCOCC1 779754241 RDKLOGLKOKTYOX-UHFFFAOYSA-N 293.323 -0.206 50 20 CBGD CCOCC(=O)NN[C@H](Cc1ccc(F)cc1)C(N)=O 784063479 AJXKNHBXXJSZIJ-LLVKDONJSA-N 283.303 -0.121 50 20 CBGD C[C@@H](CN1CCOCC1)N(C)CC(=O)NNC(=O)C1CC1 789335119 PKZBYWKSLQRPAN-NSHDSACASA-N 298.387 -0.804 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](C)S(=O)[C@@H](C)C1 792391814 HWPKOQNRZDMABS-GUBZILKMSA-N 289.401 -0.226 50 20 CBGD CCNC(=O)CCC(=O)NNC(=O)NCC(F)(F)F 798316275 MOMZQFVCSDFTSU-UHFFFAOYSA-N 284.238 -0.205 50 20 CBGD O=C(CC1CC1)NNC(=O)[C@H]1CN2CCCN1CC2 819117815 FNHPAGGQAZKLNK-LLVKDONJSA-N 266.345 -0.676 50 20 CBGD COc1c(O)nc(O)nc1C(=O)NN(C)C1CC1 819651857 VYKKNFQQRNZGBM-UHFFFAOYSA-N 254.246 -0.365 50 20 CBGD Cn1c(C(=O)NNC(=O)C(C)(C)O)cnc1Cl 822316752 JUXAJTOBCCRECW-UHFFFAOYSA-N 260.681 -0.395 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCc2cnn(C)c2C1 823928040 JPRYDXNQNIZQNT-VHSXEESVSA-N 266.345 -0.131 50 20 CBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)O)cc1 828789116 PZOGGRWLPPOZRX-UHFFFAOYSA-N 274.254 -0.066 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@]2(CCNC2)C1 843367757 JZIZCSRUMFKJID-ZWNOBZJWSA-N 268.361 -0.382 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCN(C)C(=O)C1 843646496 WFILLWKBYYQGKK-LPEHRKFASA-N 283.328 -0.573 50 20 CBGD Cc1cnn(C)c1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843663154 XBBHSVMXFDWOPL-RKDXNWHRSA-N 266.301 -0.085 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnn2c1OCCC2 843970104 BJASBIKCZOQWEO-IUCAKERBSA-N 294.311 -0.148 50 20 CBGD CN1CCN(S(=O)(=O)CBr)[C@@H](CN)C1 850583709 GFFJOGIENUSNAB-ZETCQYMHSA-N 286.195 -0.757 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N2)cc1OC 854179735 FFYDZJIKBZUEJZ-MRVPVSSYSA-N 293.279 -0.647 50 20 CBGD CNC(=S)N(C)NC(=O)C1=C(C)OCCS1(=O)=O 854923493 XUEYCZISRZWXMF-UHFFFAOYSA-N 293.370 -0.870 50 20 CBGD CC(C)CN(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858695084 CSQUQCOOEXCRAK-MRVPVSSYSA-N 256.306 -0.406 50 20 CBGD C[C@H](NNC(=O)[C@@H]1CN2CCCN1CC2)C(F)(F)F 862315977 IMQOFFLOCRFIKM-IUCAKERBSA-N 280.294 -0.052 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2Cc3ccc(F)cc32)N1 862460082 ZLUZGOVVRJPAQH-WDEREUQCSA-N 291.282 -0.109 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)c2cn[nH]c2)CCC1 862471898 BTIQULVFUCFJSV-UHFFFAOYSA-N 280.284 -0.096 50 20 CBGD O=S(=O)(CCNCc1ccccc1B(O)O)CC1CC1 863888701 URYYGBQREPSAFC-UHFFFAOYSA-N 297.185 -0.719 50 20 CBGD C=CCOC[C@@H](NCc1ccccc1B(O)O)C(=O)OC 863890663 BMGNBROPGPEZIS-CYBMUJFWSA-N 293.128 -0.800 50 20 CBGD N#CC(C#N)=CNCCCN1CCCS1(=O)=O 864349924 YXRGLPVCVYPGRW-UHFFFAOYSA-N 254.315 -0.067 50 20 CBGD C=CCCOCC(=O)NNC(=O)c1cccnn1 882057774 ARXZTKJLOTWUJQ-UHFFFAOYSA-N 250.258 -0.170 50 20 CBGD CS(=O)(=O)N1CCCC[C@@H]1C(=O)NNC(=O)C1CC1 887567926 FHQIHYUZHTXTCR-SECBINFHSA-N 289.357 -0.642 50 20 CBGD C#CCCCC(=O)NNC(=S)NCC(=O)NC(C)C 899620293 JILIWTAOEKYJBJ-UHFFFAOYSA-N 284.385 -0.190 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)C1(C(N)=O)CC1 899995602 XKFVHXSJNVFAFJ-UHFFFAOYSA-N 258.347 -0.454 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)c2ccncc2)CC1=O 906308317 ACMXXLLYQPSAHE-SNVBAGLBSA-N 276.296 -0.289 50 20 CBGD CC(C)CN1C[C@H](C(=O)NN(C)C[C@H](C)O)CC1=O 910172973 IAIRYPLADAVCPA-WDEREUQCSA-N 271.361 -0.165 50 20 CBGD C=CC(=O)N(CC)CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 911502460 HIBZCQVJHKDAPM-NXEZZACHSA-N 283.328 -0.407 50 20 CBGD CNC(=O)NNC(=O)c1ccc2c(c1)nc(O)n2C 920293423 OYIMIBXQDUCRCS-UHFFFAOYSA-N 263.257 -0.147 50 20 CBGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cnn(C)c1 920829413 OIFGGCLREMMEQI-SNVBAGLBSA-N 299.356 -0.370 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CC[C@@H](SC)C1 1116182091 UCNOSDRIELKYSX-NKWVEPMBSA-N 275.330 -0.226 50 20 CBGD C[C@H](C(=O)NNC(=O)C(C)(C)C)N1C(=O)CCC1=O 1318261352 ASWHOURLXZBIPV-SSDOTTSWSA-N 269.301 -0.283 50 20 CBGD CC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1318319534 WJKKGFVIVDXNFZ-UHFFFAOYSA-N 263.301 -0.140 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)C)Cc1nc[nH]n1 1320963976 UROUYONJCHKEGF-UHFFFAOYSA-N 268.321 -0.570 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CCn2cncc2C1 1322895824 WSEFJFFJZIRCPV-MRVPVSSYSA-N 251.290 -0.204 50 20 CBGD CCOCC(=O)NN=C1CCC2(CC1)NC(=O)NC2=O 1323039209 QGDYBEXMHSWKFK-UHFFFAOYSA-N 282.300 -0.353 50 20 CBGD COCC(=O)NCCC(=O)NNC(=O)CC1CC1 1324331183 BOTXVAABBXGMQX-UHFFFAOYSA-N 257.290 -0.913 50 20 CBGD O=C(NNc1ccncn1)[C@H]1CCS(=O)(=O)C1 1329044097 LXFCYVXWDFSFRD-ZETCQYMHSA-N 256.287 -0.646 50 20 CBGD Cc1nc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C)s1 1329172966 QNIQFULSCAPTEW-MRVPVSSYSA-N 296.352 -0.272 50 20 CBGD CCCCNC(=O)NNC(=O)COCc1nncn1C 1330335347 XKJGCODGTSZFLO-UHFFFAOYSA-N 284.320 -0.538 50 20 CBGD Cc1noc(C2CC2)c1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1331617188 YMDZHXOAQYIHIL-MRVPVSSYSA-N 292.295 -0.100 50 20 CBGD O=C(CC1CC1)NNC(=O)C(=O)Nc1cnn(CCF)c1 1331762250 OATZONZXRDBHRM-UHFFFAOYSA-N 297.290 -0.261 50 20 CBGD Cn1ccnc(NNC(=O)C2(F)CCOCC2)c1=O 1333442464 XOGSEOAJWYDNCQ-UHFFFAOYSA-N 270.264 -0.258 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H]1CCCOCC1 1334930077 IWFMSUIESCHWLB-VIFPVBQESA-N 267.289 -0.077 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1cn2ccsc2n1 1339819755 VVEKCWOHYYFCTM-UHFFFAOYSA-N 297.296 -0.601 50 20 CBGD C[C@@]1(CCCC(=O)NN=c2cc[nH]cc2)NC(=O)NC1=O 1342036968 OZBDFMVWERSISF-ZDUSSCGKSA-N 291.311 -0.285 50 20 CBGD C[C@H](C(=O)NNC(=O)NC1CCNCC1)[C@H]1CCCO1 1575069698 PRYFPLPRKFLLCP-GXSJLCMTSA-N 284.360 -0.116 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1C[C@@H](C(=O)O)C1 1601555697 FUORCFVNNHZDJS-OCAPTIKFSA-N 278.268 -0.233 50 20 CBGD O=C(O)COCCNC(=O)NNc1ncccc1F 1602079904 OFQWRSIQWNCJRV-UHFFFAOYSA-N 272.236 -0.052 50 20 CBGD O=C(O)CCc1csc(NC(=O)NNC(=O)CO)n1 1608741604 YZKQACTWJLNLHH-UHFFFAOYSA-N 288.285 -0.695 50 20 CBGD CCO[C@H]1C[C@H]1C(=O)NN=Cc1cn(CC(=O)O)nn1 1776102466 QQSKNRSOHNYIQO-BDAKNGLRSA-N 281.272 -0.762 50 20 CBGD C[C@]1(NNC(=O)NC[C@@H]2CCCO2)CCS(=O)(=O)C1 42867914 NWZOSTGKGVBYOH-ONGXEEELSA-N 291.373 -0.454 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](CN(C)C)C1 114479455 GJEGANJLBLPJSW-GHMZBOCLSA-N 270.377 -0.184 50 20 CBGD CSC[C@@H](C)C(=O)NNC(=O)C(=O)NC(C)C 264509951 VDBDLGZSTZYRHZ-SSDOTTSWSA-N 261.347 -0.343 50 20 CBGD Cn1cc(C(=O)NNC(=O)C2(O)CCCCC2)cn1 267936652 QMMPUFUOVLNPDC-UHFFFAOYSA-N 266.301 -0.124 50 20 CBGD COC(=O)N1CC(NC(=O)NNC(=O)C2CCC2)C1 269257971 AIYJZZOKHPBTPO-UHFFFAOYSA-N 270.289 -0.433 50 20 CBGD CN(C)C(=O)NNC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 299401045 VRKIJRQPMGXCKH-DTORHVGOSA-N 296.327 -0.536 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1NC(=O)O[C@H]1C 496973622 IYCHSDPNNGUEPB-WDSKDSINSA-N 258.303 -0.835 50 20 CBGD C[C@H]1[C@@H](N(C)C)CCN1C(=O)c1cc(B(O)O)ccc1F 584992895 PWGLDOLPMRTCNQ-ZANVPECISA-N 294.135 -0.330 50 20 CBGD C[C@@H](O)[C@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 585007873 PUUQEJVSCDUBIT-BXKDBHETSA-N 263.102 -0.648 50 20 CBGD OB(O)c1ccc(CN[C@H]2C[C@@H](O)C23CCC3)c(F)c1 585047370 OCPYQXHSOVHBHD-QWHCGFSZSA-N 279.120 -0.101 50 20 CBGD O=S(=O)(c1cncc(Cl)c1)N1CC[C@H](B(O)O)C1 585057528 GJNBYJQFCBKKQX-ZETCQYMHSA-N 290.537 -0.028 50 20 CBGD COc1cc(C)c(S(=O)(=O)NCB(O)O)cc1Cl 585059447 OBXAECBIQVRCOY-UHFFFAOYSA-N 293.537 -0.053 50 20 CBGD O=S(=O)(c1cccs1)N1CC[C@@H](B(O)O)C1 585060312 CIIJGLFBFIXMOH-SSDOTTSWSA-N 261.133 -0.015 50 20 CBGD O=C(c1cn(-c2ccccc2)nn1)N1CC[C@H](B(O)O)C1 585074746 CJMNKZAEJRFZRM-JTQLQIEISA-N 286.100 -0.044 50 20 CBGD NC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 700868978 OZLBVYOGITUVTH-UHFFFAOYSA-N 254.202 -0.327 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)Cc1ccncc1 759502895 QJVRDCJMJURCTD-SNVBAGLBSA-N 293.327 -0.392 50 20 CBGD CCN1CCC[C@@H]1CNC(=S)NNC(=O)COC 761839532 WSXUADGACIYURB-SECBINFHSA-N 274.390 -0.388 50 20 CBGD CC(C)(C)S(=O)(=O)CC(=O)NNC(=O)C1CC1 767190348 ZJCFHSXSOBLJAI-UHFFFAOYSA-N 262.331 -0.243 50 20 CBGD CCCn1cc(C(=O)O[C@H](C)C(=O)NNC(=O)CC)nn1 772234104 DNASLRBXYGEVEH-MRVPVSSYSA-N 297.315 -0.209 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CC[C@@H]1O 778254415 CKEDPUBBIHYJEY-UWVGGRQHSA-N 271.361 -0.117 50 20 CBGD CN(NC(=O)COc1ccccc1C=O)C(N)=O 778415957 WCDOQTCNNNFDKZ-UHFFFAOYSA-N 251.242 -0.080 50 20 CBGD CC(=O)OC(C)(C)C(=O)NNC(=O)C(=O)N1CCCC1 779751809 FWOPPAWUILUQNE-UHFFFAOYSA-N 285.300 -0.902 50 20 CBGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ncc[nH]1 790159911 PBBVHVPLPHPQEF-MRVPVSSYSA-N 285.329 -0.380 50 20 CBGD CC(=NNC(=O)C(=O)NC1CC1)c1cc(C)n(C)n1 799872261 PNPDEGSQAXQLFZ-UHFFFAOYSA-N 263.301 -0.153 50 20 CBGD O=C(CO)NNC(=O)c1ccc2oc(O)nc2c1 807195613 IBYIVIPRDYMXKO-UHFFFAOYSA-N 251.198 -0.713 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNC(=O)[C@H]1CCCCO1 833241685 DMZFKASGRMATKY-WDEREUQCSA-N 285.344 -0.576 50 20 CBGD CCOCCONC(=O)NNC(=O)[C@H]1CCCCO1 836405169 XMSOOYNCQRATPW-SECBINFHSA-N 275.305 -0.146 50 20 CBGD CCNC(=O)NNC(=O)C1=C(C)N(C)c2nnnn2[C@@H]1C 847391413 YIBIGFVXMRFLDX-SSDOTTSWSA-N 294.319 -0.692 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H]1CC[C@@H]1C(N)=O 847392180 NYJXZAJAAMCOIY-JGVFFNPUSA-N 256.306 -0.372 50 20 CBGD CCOCCOC[C@H](O)CNS(=O)(=O)CCl 849390664 RSHBEEJXYXROHB-MRVPVSSYSA-N 275.754 -0.484 50 20 CBGD CO[C@@]1(C)C[C@H]1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 852394647 VTCJJWFCEXCKFZ-HNBLOZHYSA-N 271.317 -0.081 50 20 CBGD NC[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccccc1 852894084 MRJROXGKJWLSGI-MNOVXSKESA-N 263.297 -0.189 50 20 CBGD N#C[C@]1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC12CCCC2 862462823 YXLLSECQOMLUQS-OTYXRUKQSA-N 290.323 -0.114 50 20 CBGD O=C(COC[C@H]1CCCO1)NNC(=O)c1cn[nH]c1 862472030 SNXOXENQYVGOGH-SECBINFHSA-N 268.273 -0.634 50 20 CBGD COc1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)sn1 863150820 CEIMPYPYMWHXHV-ZETCQYMHSA-N 268.298 -0.120 50 20 CBGD COCCOCC(=O)NN=Cc1cnc(N(C)C)n1C 872400874 WHUKBIVCXBICOA-UHFFFAOYSA-N 283.332 -0.401 50 20 CBGD CC(C)c1nccnc1NNC(=O)[C@H]1OCCN(C)C1=O 907782502 IALVYTLZJZJUAB-SNVBAGLBSA-N 293.327 -0.100 50 20 CBGD C[C@]1(C(=O)NCC(=O)NCC#N)C[C@@H]1Br 908176489 PVLIUWYLVBQPPH-RCOVLWMOSA-N 274.118 -0.084 50 20 CBGD O=C(NNC(=O)C1CCSCC1)C(=O)NC1CC1 1116049339 QMFAAKXPSOKVAN-UHFFFAOYSA-N 271.342 -0.444 50 20 CBGD COCC1(C(=O)NNc2nnc(C)c(O)n2)CC1 1116507891 XHXPZFBDHBIPEO-UHFFFAOYSA-N 253.262 -0.245 50 20 CBGD C=CCNC(=S)NNC(=O)c1ccc(C(N)=O)nc1 1116896030 GKZXNKAKYBNLBA-UHFFFAOYSA-N 279.325 -0.525 50 20 CBGD O=C(CCCNC(=O)NNC(=O)c1cn[nH]c1)NC1CC1 1118800873 GJXNCUWSCCVKPR-UHFFFAOYSA-N 294.315 -0.588 50 20 CBGD COCc1nc(C(=O)N2CC[C@H](B(O)O)C2)cs1 1118975504 PFPLOFWENKVLLV-ZETCQYMHSA-N 270.119 -0.022 50 20 CBGD Cn1ncc([N+](=O)[O-])c1C(=O)NNC(=O)c1cccnc1 1253929748 FSYWMPKYWPAHPH-UHFFFAOYSA-N 290.239 -0.202 50 20 CBGD COCCCNC(=O)NNC(=O)C(=O)Nc1ccccn1 1319606482 RNKTUGLASNLAQD-UHFFFAOYSA-N 295.299 -0.613 50 20 CBGD CS(=O)(=O)C1(C(=O)NNC(=O)c2ccncc2)CC1 1321016673 RZIXLDYUBZNADV-UHFFFAOYSA-N 283.309 -0.580 50 20 CBGD CC(=O)NNS(=O)(=O)c1cnn(CC(F)F)c1 1322232813 GRRRTZCUMFFXKO-UHFFFAOYSA-N 268.245 -0.522 50 20 CBGD O=C(CCc1nc[nH]n1)NNC(=O)c1ccccn1 1323579764 JAWREXBPLZTWBZ-UHFFFAOYSA-N 260.257 -0.407 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1C[C@]12CCOC2 1323940585 GXTWFDGSDASUAD-UFBFGSQYSA-N 269.301 -0.915 50 20 CBGD C[C@H](C[S@](C)=O)NC(=O)NNC(=O)Cc1cccnc1 1325269603 UCVZSOLWZUHXFC-YBYGRFCBSA-N 298.368 -0.279 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCS[C@@H]1C 1326794286 ZFZVASQYYHMFGX-RITPCOANSA-N 261.303 -0.616 50 20 CBGD NC[C@@H]1OCC[C@@H]1C(=O)NNc1nncc(N)c1Cl 1330591581 LEQYBMMCFMLPIG-FSPLSTOPSA-N 286.723 -0.481 50 20 CBGD O=C(NNC(=O)C1CCOCC1)C1=COCCO1 1330829213 IYZXTNRONMROKN-UHFFFAOYSA-N 256.258 -0.551 50 20 CBGD CC(=O)NNC(=O)c1sccc1S(N)(=O)=O 1333672273 LHIJTMCFYBMXCS-UHFFFAOYSA-N 263.300 -0.824 50 20 CBGD C[C@H]1c2nncn2CCN1C(=O)NNC(=O)c1cn[nH]c1 1334930149 JBRUDAUCLICYPV-ZETCQYMHSA-N 290.287 -0.568 50 20 CBGD O=C(CCO)NNC(=O)C(=O)Nc1ccc(Cl)nc1 1337980895 NOBZFGOOCAZGOB-UHFFFAOYSA-N 286.675 -0.797 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H]1CCSC1 1351340273 BMYCBTKYISRFQV-ZETCQYMHSA-N 255.303 -0.141 50 20 CBGD COC[C@H](C)NC(=O)NNC(=O)C1CCNCC1 1353507969 UGJJFGUMLJZZOA-QMMMGPOBSA-N 258.322 -0.649 50 20 CBGD CCn1nncc1C(=O)NNC(=O)CCCCCN 1578365399 RQJJXSOKDYFZFN-UHFFFAOYSA-N 268.321 -0.422 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@@H]1CNC[C@H]1C 1579055414 CQKTVMLUQOKKOE-NXEZZACHSA-N 273.333 -0.958 50 20 CBGD C=CC[C@@H](NNC(=O)c1nnn(C)c1C)C(=O)O 1588750106 TYMKVPSKMBTIGD-SSDOTTSWSA-N 253.262 -0.613 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1csc(-c2nn[nH]n2)c1 1589326267 BDQRVZUNICIAQI-UHFFFAOYSA-N 296.312 -0.540 50 20 CBGD C[C@@H]1[C@@H](Cl)[C@H]1CNCCn1cnc(-c2nn[nH]n2)n1 1590169622 QEJHYLHLSJCSGV-BIIVOSGPSA-N 282.739 -0.079 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cc(C(=O)O)nn1C 1592761514 DASHPNONYAIJHF-ZCFIWIBFSA-N 256.262 -0.924 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccoc1CC(=O)O 1593457419 ULIYDKUUCHEYIX-ZETCQYMHSA-N 256.258 -0.136 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNC(=O)[C@@H]1CCCS1 1593908830 MDWYFBMKMAPAKD-WDSKDSINSA-N 262.287 -0.871 50 20 CBGD O=C(O)C(=O)NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2 1601635732 JSCSQHAMFDKYDP-ACZMJKKPSA-N 257.315 -0.245 50 20 CBGD C[C@@](O)(CNS(=O)(=O)CCCCCl)C(=O)O 1603262975 FNGYPPNRRMIIHY-MRVPVSSYSA-N 273.738 -0.240 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccc(C(=O)O)nc1 1604618328 RSMDAWINRBWQPQ-UHFFFAOYSA-N 297.267 -0.796 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cc(C)c(C(=O)O)o1 1606281275 RNVAKIYIEHTCEW-UHFFFAOYSA-N 277.258 -0.591 50 20 CBGD CC(C)C(=O)NNC(=O)CNC(=O)c1ccco1 26795749 BQOQAQBAMZZLCO-UHFFFAOYSA-N 253.258 -0.187 50 20 CBGD C[C@@H](NC(=O)c1ccoc1)C(=O)NNC(=O)C1CC1 48185174 LRSPEIHFENZHAK-SSDOTTSWSA-N 265.269 -0.045 50 20 CBGD CCN1C[C@H](C(=O)NNC(=O)NCc2ccco2)CC1=O 65176180 COXNGAJQRWTXLJ-SECBINFHSA-N 294.311 -0.022 50 20 CBGD CN(C)c1cccc(C(=O)NNC(=O)Cn2cnnn2)c1 97657500 GGMHYFMBLCZLNQ-UHFFFAOYSA-N 289.299 -0.800 50 20 CBGD O=C1C[C@@H](NS(=O)(=O)CCCCCl)CN1 232227911 CMPVGZDVYZHUDP-SSDOTTSWSA-N 254.739 -0.187 50 20 CBGD CCOCCC(=O)NNC(=O)CNC(=O)c1cccnc1 268899972 YFYPWNBNLHFZAP-UHFFFAOYSA-N 294.311 -0.615 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1cnn(CC)c1 275515114 UHKKABFNGVGLPM-UHFFFAOYSA-N 275.334 -0.242 50 20 CBGD COCCS(=O)(=O)CC(=O)NNc1ncccc1F 285915996 IOKXLOLVCBXDPK-UHFFFAOYSA-N 291.304 -0.275 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)NC1CCCC1 299363571 SUYJTLJMTAGAMZ-UHFFFAOYSA-N 268.317 -0.118 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H]1COCCN1CC(F)F 495628171 DEWPNWZCNYZNAE-ZETCQYMHSA-N 281.259 -0.318 50 20 CBGD COC(=O)NNC(=O)C(=O)N1CCc2ccc(C#N)cc21 496861605 DJQUSXYUAYVFAB-UHFFFAOYSA-N 288.263 -0.165 50 20 CBGD CC1(C)CN(C(=O)c2cccc(B(O)O)c2)CC[S@]1=O 584956825 BMDAJBBRZAZSLG-HXUWFJFHSA-N 295.169 -0.651 50 20 CBGD C[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)CC[S@]1=O 584981323 BYZUAMAKPGTVLU-WVDJIFEKSA-N 295.169 -0.651 50 20 CBGD CCN(C[C@@H](C)OC)C(=O)c1ccc(B(O)O)cc1 584992941 UAYNKAGORBKLFW-SNVBAGLBSA-N 265.118 -0.137 50 20 CBGD CC[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@H](C)N1 585008250 HNCUQMBOTIKOCC-GXSJLCMTSA-N 294.135 -0.282 50 20 CBGD CC(C)(C)NC(=O)CNCc1ccc(B(O)O)cc1 585018308 UQBYVWWJTYSSSF-UHFFFAOYSA-N 264.134 -0.629 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)cc1)c1nncn1C 585022338 MKAYLDMDRQXBKK-SECBINFHSA-N 260.106 -0.654 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCN(C3CC3)C2)c(F)c1 585022558 QJKDPPYQCQLMNX-LBPRGKRZSA-N 278.136 -0.168 50 20 CBGD CCCCn1nnnc1CNCc1ccccc1B(O)O 585028668 MSICLFXDFYZKQH-UHFFFAOYSA-N 289.148 -0.557 50 20 CBGD O=C(COC(=O)C1(O)CCC1)NNC(=O)c1cccs1 740228432 RUIWESVCECFSMJ-UHFFFAOYSA-N 298.320 -0.033 50 20 CBGD CC[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)N(CC)CC 746103132 HPXMZPLMRQDEQV-JTQLQIEISA-N 286.376 -0.221 50 20 CBGD CC(C)CNC(=S)NNC(=O)C(=O)N1CCCC1 748152662 XGLPDTATTIFBPV-UHFFFAOYSA-N 272.374 -0.240 50 20 CBGD C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)CO 753453008 VWDUBYSRHQVMKG-HQJQHLMTSA-N 266.253 -0.645 50 20 CBGD COCC(C)(C)C(=O)NNC(=O)Cc1cc[nH]n1 755284827 XORVGFJDWAKVOO-UHFFFAOYSA-N 254.290 -0.228 50 20 CBGD CCS(=O)(=O)NCC(=O)NNC(=O)C1CCCC1 758394448 UURGCSQFAHUJKZ-UHFFFAOYSA-N 277.346 -0.737 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1CCSC1 762174097 WGFJCWOWPONMEW-MRVPVSSYSA-N 259.331 -0.188 50 20 CBGD CC(C)[C@](C)(O)C(=O)NNC(=O)C(=O)Nc1ccccn1 771404646 BTOCUBWSBBWBQX-ZDUSSCGKSA-N 294.311 -0.426 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@](C)(O)C(C)C)n[nH]1 771439350 BIBBMODKWGMKQJ-LLVKDONJSA-N 254.290 -0.114 50 20 CBGD CCOC(=O)/C(C#N)=C\N[C@H]1CCC(=O)N(C)C1=O 818997291 XGBPJHPFQFSEBV-FUOZMLNRSA-N 265.269 -0.306 50 20 CBGD CCN(CCO)NC(=O)CNC(=O)c1ccccc1OC 823833783 IVLGJSNVIKDWLA-UHFFFAOYSA-N 295.339 -0.230 50 20 CBGD CCN(CCO)NC(=O)C1CCN(C(=O)OC)CC1 823897786 JUYIOMSWBZUPHB-UHFFFAOYSA-N 273.333 -0.190 50 20 CBGD C[C@@H](OCCc1ccccc1)C(=O)NNC(=O)CO 827893427 DMLVNPAEHGFLGI-SNVBAGLBSA-N 266.297 -0.226 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)c2ncccn2)CCC1 841350496 LFPOPLJVJLDRDR-UHFFFAOYSA-N 292.295 -0.029 50 20 CBGD C[C@@H]1CC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CO1 842524846 IJMJJRAOTXKURX-HTQZYQBOSA-N 275.330 -0.363 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CN(C)C(=O)C1CC1 843974328 CAOBVACLYCJBGG-WPRPVWTQSA-N 283.328 -0.573 50 20 CBGD C[C@@](O)(C(=O)NNC(=O)c1cc[nH]n1)C1CCC1 855355714 FMOYTPHITXMGTL-NSHDSACASA-N 252.274 -0.278 50 20 CBGD COc1ccnc(NNC(=O)[C@H](C)[C@@H]2CCC(=O)N2)n1 858404549 VJJURMXOFRRLKL-SFYZADRCSA-N 279.300 -0.157 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@]1(C2CCCC2)CCNC1=O 861206425 XTVHWJWFKQDKFJ-AWEZNQCLSA-N 297.355 -0.399 50 20 CBGD C[C@H](Oc1cccnc1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862453858 AESHHRTXRKKBLH-WCBMZHEXSA-N 292.295 -0.725 50 20 CBGD C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862454592 WKCURNVGFOLUMM-LMLFDSFASA-N 296.371 -0.326 50 20 CBGD C=CCOCCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862456035 LUIWDXUOOIOTQZ-SECBINFHSA-N 269.301 -0.605 50 20 CBGD CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1ccc(B(O)O)cc1 863879675 XUUPVUHTZXOHTC-UWVGGRQHSA-N 293.128 -0.316 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@]1(C)C[C@@H](OC)CN1 876884920 MEMRSJKKYWJTLR-LDYMZIIASA-N 258.322 -0.554 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 910159731 CBSYCQWVYYHDON-IUCAKERBSA-N 295.405 -0.706 50 20 CBGD CCC[C@](C)(O)C(=O)NNC(=O)CN1CCCC1=O 913731577 NNSIZEOPEDDXQN-LBPRGKRZSA-N 271.317 -0.693 50 20 CBGD CCOC(=O)N1CSC[C@H]1C(=O)NNC(=O)NC 930586646 PRMQHABJXURJLV-LURJTMIESA-N 276.318 -0.522 50 20 CBGD CC(C)[C@@H](C#N)C=NNC(=O)[C@H](C)NS(C)(=O)=O 1116348062 KXTVGLGVVRTVFS-IUCAKERBSA-N 274.346 -0.178 50 20 CBGD CCNc1ncc(C(=O)NNC(=O)C(=O)NC(C)C)s1 1118803975 UJUQQHMSUSXYEE-UHFFFAOYSA-N 299.356 -0.140 50 20 CBGD Cn1nnc2cc(C(=O)N3CC[C@@H](B(O)O)C3)ccc21 1118976014 TUHIZBVBTHNHIY-SECBINFHSA-N 274.089 -0.343 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1ccnc(O)c1 1319212122 GEFUXKWEJOTPCM-UHFFFAOYSA-N 266.257 -0.526 50 20 CBGD CNC(=O)CCCNC(=O)NNC(=O)c1ccc[nH]1 1321846402 XYFANQQXXMJLLD-UHFFFAOYSA-N 267.289 -0.515 50 20 CBGD CN(C)[C@H](C(=O)NNc1ncccn1)c1cncn1C 1326974186 YTRAYYQJXXFODO-JTQLQIEISA-N 275.316 -0.044 50 20 CBGD O=C(NNc1ccncn1)[C@@H]1CCCS(=O)(=O)C1 1328739732 JKCQCBWMQAJIOF-MRVPVSSYSA-N 270.314 -0.256 50 20 CBGD NC(=O)COc1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1 1329294216 ZSFICVKGQJWKMJ-JTQLQIEISA-N 292.100 -0.760 50 20 CBGD COCc1ncsc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1331805207 HGBXNIBOWGNRPB-ZCFIWIBFSA-N 298.324 -0.671 50 20 CBGD Cc1nc(S(=O)(=O)NNC(=O)N(C)C)cn1C 1338363397 DORQPXBTSVSCFS-UHFFFAOYSA-N 261.307 -0.807 50 20 CBGD C[S@@](=O)CCCNC(=O)NNC(=O)[C@@H]1CCCCO1 1344399513 NRQBQIZDMMFIDR-ZRNGKTOUSA-N 291.373 -0.346 50 20 CBGD Cc1cccc(C(=O)NNS(=O)(=O)c2cn(C)cn2)n1 1344415333 IGWXZYGZJGQHJW-UHFFFAOYSA-N 295.324 -0.253 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CN2CCN1C[C@H]2C 1345507140 MJUOLRLFYDOUIJ-NXEZZACHSA-N 283.401 -0.944 50 20 CBGD CO[C@@H]1CN[C@@](C)(C(=O)NNC(=O)Cc2ccccn2)C1 1573961883 VOVLZGSZERZOPN-SMDDNHRTSA-N 292.339 -0.462 50 20 CBGD O=C(O)CCCC(=O)NNC(=O)[C@@H]1CCCCO1 1601978944 PPQRNPMXMBPLBI-QMMMGPOBSA-N 258.274 -0.042 50 20 CBGD CCOC(=O)NNC(=O)Cn1nnc2ccccc2c1=O 21772505 FNBRTNYILRJDDP-UHFFFAOYSA-N 291.267 -0.431 50 20 CBGD C=CCNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 54029677 KJGXVLZBCNNIRP-UHFFFAOYSA-N 287.283 -0.208 50 20 CBGD COC(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCCO2)n1 58248431 BLPQEASZHMWDTB-JTQLQIEISA-N 293.279 -0.192 50 20 CBGD CN1C(=O)CC[C@@H](NS(=O)(=O)CCl)C1=O 84407308 ILJXKXBIPNNZFQ-RXMQYKEDSA-N 254.695 -0.751 50 20 CBGD CCCN1CCC[C@@H]1C(=O)NNC(=O)C(=O)NC(C)C 123926583 OEFVRULZTZSQBT-SNVBAGLBSA-N 284.360 -0.467 50 20 CBGD Cc1cc(C(=O)NNC(=O)Cc2cnn(C)c2C)[nH]n1 292526790 OPNSTSIHTYTIHY-UHFFFAOYSA-N 276.300 -0.236 50 20 CBGD CCOC(=O)NNC(=O)CCCN1C(=O)CCC1=O 490576115 KPXGXXYHMGIPKY-UHFFFAOYSA-N 271.273 -0.307 50 20 CBGD CCOCCCCNC(=O)c1ccc(B(O)O)cc1 584932291 SATXPVNBUSJYCG-UHFFFAOYSA-N 265.118 -0.087 50 20 CBGD CCCN(CCN(C)C)C(=O)c1cccc(B(O)O)c1 584950242 KZAWCOGRYQCXHH-UHFFFAOYSA-N 278.161 -0.220 50 20 CBGD CC[C@@H](C)[C@@H](O)CNC(=O)c1cc(B(O)O)ccc1F 584959727 KVIBQNVOVKZDNX-PELKAZGASA-N 283.108 -0.358 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1[C@H]2CC[C@H]1[C@H](CO)C2 584990275 AOJRXWIWIHHNHF-KWBADKCTSA-N 293.103 -0.509 50 20 CBGD C[C@H](CCNC(=O)c1ccc(B(O)O)cc1)N(C)C 585007723 ZLKIIFJIHVKFHH-SNVBAGLBSA-N 264.134 -0.564 50 20 CBGD O=C(CNCc1ccccc1B(O)O)NCC(F)(F)F 585021159 QBHHXFNJIWJUAV-UHFFFAOYSA-N 290.050 -0.866 50 20 CBGD COC[C@@H](CNCc1cccc(B(O)O)c1)OC 585034528 JUFFUNFRUKVGIN-GFCCVEGCSA-N 253.107 -0.883 50 20 CBGD C[C@H](Cc1cnn(C)c1)NCc1ccc(B(O)O)o1 585044808 VCFRPVJCLFLZCR-SECBINFHSA-N 263.106 -0.586 50 20 CBGD O=C(CCN1CCCC1=O)NNC(=O)C1CCC1 732141649 LXTCUZWDOBTYDW-UHFFFAOYSA-N 253.302 -0.054 50 20 CBGD CC(C)NC(=O)CCCC(=O)NNC(=O)c1cnn(C)c1 735470659 GSYNURDCETVAIZ-UHFFFAOYSA-N 295.343 -0.124 50 20 CBGD CC[C@H](SC)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 746774845 CXPSWHBDPGYJOO-YUMQZZPRSA-N 294.398 -0.290 50 20 CBGD CC(C)NS(=O)(=O)CCNC(=O)NNC(=O)C(C)C 746973453 UCWKVSDRTMNTHT-UHFFFAOYSA-N 294.377 -0.699 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)C2(C(N)=O)CCC2)cc1 747909158 SMRRYIYFJQPMME-UHFFFAOYSA-N 286.291 -0.025 50 20 CBGD CCC(C)(C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758048721 URBKMTYMEXIZDL-SSDOTTSWSA-N 279.362 -0.492 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)C[C@@H](O)C1CC1 764282049 BWDPPQTXLWRQPM-PSASIEDQSA-N 257.334 -0.365 50 20 CBGD COc1nccnc1NNC(=O)C1(C(N)=O)CC1 764483516 BWXKXHZKVHTSFV-UHFFFAOYSA-N 251.246 -0.806 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1nnn(C)c1C 772160758 XWVIIICDVNCQHA-ZETCQYMHSA-N 283.288 -0.774 50 20 CBGD C[C@H]1C(=O)NCCN1CC(=O)NNC(=O)c1cccs1 777572374 IXHZHNUOBGDLDX-QMMMGPOBSA-N 296.352 -0.671 50 20 CBGD CNC(=O)CCCC(=O)NNC(=O)c1ccc[nH]1 780215216 YAXLYJHATYOCTC-UHFFFAOYSA-N 252.274 -0.308 50 20 CBGD CN(CC(=O)NN=c1cc[nH]cc1)c1ncnc2[nH]cnc12 780761211 LBZKPHIFQKONCR-UHFFFAOYSA-N 298.310 -0.251 50 20 CBGD C#CCOCCNC(=O)NNC(=O)c1cccc(C)n1 793044665 HNSYTFIKQCLCNE-UHFFFAOYSA-N 276.296 -0.016 50 20 CBGD CC1(C)C[S@](=O)CCN1CC(=O)NNC(=O)C1CC1 794568600 RXANMOWBOBRFRQ-LJQANCHMSA-N 287.385 -0.613 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCc1ccn(C)n1 795792057 CXPGKSQHPQPLON-VIFPVBQESA-N 296.327 -0.158 50 20 CBGD COC(=O)C1(C(=O)NNC(=O)N=c2cc[nH]cc2)CC1 802025215 WVUVVRUAQDSEQE-UHFFFAOYSA-N 278.268 -0.391 50 20 CBGD COCCCn1nccc1C=NNC(=O)CN(C)C 802711656 UKYMICZLXWADFK-UHFFFAOYSA-N 267.333 -0.069 50 20 CBGD O=C(CCCN1C(=O)CCC1=O)NNc1ncncc1F 817083392 JCVVJMJSYZGFDM-UHFFFAOYSA-N 295.274 -0.012 50 20 CBGD CCN(CCO)NC(=O)[C@@](C)(NC(C)=O)C(C)C 823377972 ZEHUDGIMSFUMAE-LBPRGKRZSA-N 259.350 -0.117 50 20 CBGD Cc1cc(CC(=O)NNC(=O)C2(CN(C)C)CC2)n[nH]1 823825130 VJWOLWULDYUVAW-UHFFFAOYSA-N 279.344 -0.250 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cc2n(n1)CCCO2 823928641 PQODORDSDSVYTE-MRVPVSSYSA-N 254.290 -0.377 50 20 CBGD CCCNC(=O)NNC(=O)C[C@H]1CCC(=O)N1C 823950142 DHTUXSMOBCKCLP-MRVPVSSYSA-N 256.306 -0.262 50 20 CBGD CC(=O)N1CCC[C@H](C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1 843646584 WLOXVSNTGUCXLY-USWWRNFRSA-N 297.355 -0.183 50 20 CBGD CCN(CC)CC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843979640 PSCNCGCWVKNQBG-UWVGGRQHSA-N 257.334 -0.099 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@@]2(O)CCOC2)n1 857436298 VZGOQSWBWRCOBL-LLVKDONJSA-N 252.274 -0.312 50 20 CBGD CO[C@@H]1C[C@@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1(C)C 858273797 HKABYMJJPRZCNE-DJLDLDEBSA-N 298.343 -0.591 50 20 CBGD CN1CCC[C@@H]1CNC(=O)NNC(=O)c1cn[nH]c1 858279138 RYXPVHBYKVVCDW-SECBINFHSA-N 266.305 -0.552 50 20 CBGD NCCCC(=O)NNC(=O)Nc1cnn(CCF)c1 859733273 LOVOWLDLKLVHHW-UHFFFAOYSA-N 272.284 -0.256 50 20 CBGD C[C@@H](NNC(=O)CN(C)S(C)(=O)=O)C(F)(F)F 862306420 AAKVGJYZRRDFBZ-RXMQYKEDSA-N 277.268 -0.551 50 20 CBGD CNc1ccccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862452266 VBEURYOONNPJPD-SNVBAGLBSA-N 276.296 -0.232 50 20 CBGD N#CC1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCCCC1 862453343 TYVRELGNKRRPFB-VIFPVBQESA-N 278.312 -0.114 50 20 CBGD COc1ccc(NC(=S)NNC(=O)CN(C)C)cn1 874954170 PFRNWWVSTDAZBI-UHFFFAOYSA-N 283.357 -0.031 50 20 CBGD COCCOCCCNC(=O)NN(C)C(=O)OC 875231895 ZQUMPNPIQQQLHQ-UHFFFAOYSA-N 263.294 -0.048 50 20 CBGD CCO[C@@H]1COC[C@H]1NC(=O)NN(C)C(=O)OC 875650295 BAISFHTUVDXVFS-HTQZYQBOSA-N 261.278 -0.297 50 20 CBGD CCN1CCC[C@@H]1CNC(=O)NNC(=O)c1cccnn1 883423440 LEBJWTIXFQLLRR-SNVBAGLBSA-N 292.343 -0.095 50 20 CBGD COc1nn(C)cc1C(=O)NNC(=O)C1CCC1 883960945 NZNGYOHUEAMSJZ-UHFFFAOYSA-N 252.274 -0.010 50 20 CBGD CC(=O)N1CCCC[C@@H]1C(=O)NN(C)C[C@H](C)O 910170619 NQRJYOPLIMRNSQ-GXSJLCMTSA-N 257.334 -0.269 50 20 CBGD CCOC(=O)c1c(S(=O)(=O)NNC(C)=O)n[nH]c1C 917717373 DCGPWCHWYBCPQV-UHFFFAOYSA-N 290.301 -0.776 50 20 CBGD COC(=O)NNC(=O)c1cn(C)nc1-c1cnn(C)c1 1116711109 GZRBXJVTFSFBSE-UHFFFAOYSA-N 278.272 -0.179 50 20 CBGD CC(=O)c1c[nH]c(C(=O)NNC(=O)C(=O)N2CCCC2)c1 1251402430 SCFMHWZLSAPWLX-UHFFFAOYSA-N 292.295 -0.399 50 20 CBGD Cn1nccc1COCC(=O)NNC(=O)C1CCOCC1 1262030960 BSWDAFLIOXLUFM-UHFFFAOYSA-N 296.327 -0.489 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccccc1CCN(C)C 1320534136 BVWVOIVMXOBFGF-UHFFFAOYSA-N 292.339 -0.104 50 20 CBGD Cc1ccncc1CC(=O)NNC(=O)C(=O)NC1CC1 1328541458 HDRMEHRWFSTNDX-UHFFFAOYSA-N 276.296 -0.641 50 20 CBGD C#CCN(CC1CC1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1329755994 SSOACJWWODWLKN-SNVBAGLBSA-N 278.312 -0.649 50 20 CBGD CC(C)[C@]1(CO)CCN(C(=O)c2ccc(B(O)O)cc2)C1 1330575097 DEDURKXZTDJYDT-OAHLLOKOSA-N 291.156 -0.153 50 20 CBGD O=C(Cc1cccc(O)c1)NNC(=O)[C@@H]1CCC(=O)N1 1331692193 UNZIOCAZVAGWJE-JTQLQIEISA-N 277.280 -0.639 50 20 CBGD O=C(Cc1ccc(F)cn1)N1CC[C@H](B(O)O)C1 1331924160 HQKIOHBUZJKGBI-QMMMGPOBSA-N 252.054 -0.162 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1CN2CCN1C[C@H]2C 1349475345 XXSXRVIJUYRTNH-VXGBXAGGSA-N 278.356 -0.674 50 20 CBGD CC[C@]1(C(=O)NNC(=O)C2CCOCC2)CCNC1=O 1353029737 JZTSVMVYNRAUNI-ZDUSSCGKSA-N 283.328 -0.523 50 20 CBGD CC(C)C[C@@H](N)C(=O)NNC(=O)c1cnn(C)c1 1575626895 WCQDIKPXEFBBNN-SECBINFHSA-N 253.306 -0.446 50 20 CBGD CCNC(=O)N(C)NC(=O)CCNC(=O)[C@@H](N)C(C)C 1577793929 WSUVVPIDYGDGRE-JTQLQIEISA-N 287.364 -0.832 50 20 CBGD NCCCn1ccc(C(=O)NNC(=O)C2CCC2)n1 1580304413 PDUYTUIDDMZWBS-UHFFFAOYSA-N 265.317 -0.207 50 20 CBGD Cc1cc(=NNC(=O)c2cc(C(=O)O)n[nH]2)cc[nH]1 1594325394 VMFMHPSOSBXIEK-UHFFFAOYSA-N 261.241 -0.010 50 20 CBGD C[C@@H]1O[C@H](C)[C@H](NC(=O)NNC(=O)C(=O)O)[C@H]1C 1594636245 QXJNWWXINBKPSH-VWDOSNQTSA-N 259.262 -0.787 50 20 CBGD Cn1c(C(=O)O)ccc1C(=O)NNc1nc[nH]n1 1600903378 GSQLACWYEHBKRE-UHFFFAOYSA-N 250.218 -0.402 50 20 CBGD Cn1ccnc(NNC(=O)c2ccoc2CC(=O)O)c1=O 1600981131 MZHDOCGUPDRTFB-UHFFFAOYSA-N 292.251 -0.243 50 20 CBGD CC1(C)CC2(CO1)CC(NC(=O)NNC(=O)C(=O)O)C2 1604521028 MYGJRBCSHPZEKZ-UHFFFAOYSA-N 285.300 -0.251 50 20 CBGD CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 25416630 ZZTQGMYNPUFYAZ-UHFFFAOYSA-N 285.325 -0.282 50 20 CBGD CS(=O)(=O)N[C@@H]1CCCN(C(=O)CCl)C1 37831170 QLRBGQVDRBLYOY-SSDOTTSWSA-N 254.739 -0.235 50 20 CBGD CNC(=O)NNS(=O)(=O)c1c[nH]c2ncccc12 48961912 MJBMPNYOFZDQAV-UHFFFAOYSA-N 269.286 -0.315 50 20 CBGD CCNC(=O)NNC(=O)CS[C@H]1CCS(=O)(=O)C1 49165710 FBYLQFIJWJRKPT-ZETCQYMHSA-N 295.386 -0.743 50 20 CBGD Nc1nccnc1C(=O)NNC(=O)Cc1ccncc1 176775388 SHORWTNNCGKAHI-UHFFFAOYSA-N 272.268 -0.543 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cccc(F)n2)CC1 287660882 BAUFFKUFAROJNY-UHFFFAOYSA-N 281.291 -0.178 50 20 CBGD COCCN(C)NC(=O)c1sccc1-n1cnnn1 288330262 DWJHAZNICPCVHW-UHFFFAOYSA-N 282.329 -0.053 50 20 CBGD C#CCO[C@@H](C)C(=O)NNC(=S)NCCSC 295028673 VRIFDEKRUGIJOO-QMMMGPOBSA-N 275.399 -0.117 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1C[C@]12CCOC2 364092101 BZAFXSHRINUTJY-CABZTGNLSA-N 271.317 -0.220 50 20 CBGD COC(=O)NNC(=O)CCCCN1CCOCC1 492310294 WQWXUCMHKMTPFK-UHFFFAOYSA-N 259.306 -0.124 50 20 CBGD CC1(O)CCC(NC(=O)c2ccc(B(O)O)cc2)CC1 584960188 JHVQNVOLDDXLFU-UHFFFAOYSA-N 277.129 -0.210 50 20 CBGD CN1CCC(C)(CNC(=O)c2cccc(B(O)O)c2)CC1 584971952 IQVFHSLIHUCRJG-UHFFFAOYSA-N 290.172 -0.172 50 20 CBGD C[C@@H](NC(=O)c1cccc(B(O)O)c1)[C@H]1CCCOC1 584972103 NCGDMDSDPXALEK-PWSUYJOCSA-N 277.129 -0.089 50 20 CBGD CC1(C)CN(C(=O)c2ccc(B(O)O)cc2)C[C@@H]1O 584984245 WDIWRJDHWLPOHN-NSHDSACASA-N 263.102 -0.791 50 20 CBGD O=C(Nc1nncn1C1CC1)c1cccc(B(O)O)c1 584986978 FDYPFWPPVITWCG-UHFFFAOYSA-N 272.073 -0.455 50 20 CBGD C[C@@H](N(C)C(=O)c1cc(B(O)O)ccc1F)C(C)(C)O 584999447 VDQMIDWBHAGKGY-MRVPVSSYSA-N 283.108 -0.263 50 20 CBGD C[C@H](N(C)C(=O)c1cc(B(O)O)ccc1F)C(C)(C)O 584999448 VDQMIDWBHAGKGY-QMMMGPOBSA-N 283.108 -0.263 50 20 CBGD COCCN1CCC[C@@H]1CNCc1ccc(B(O)O)o1 585020395 VJUKVQQUWGPOCE-LLVKDONJSA-N 282.149 -0.840 50 20 CBGD C[C@H](CC[S@](C)=O)NCc1ccc(B(O)O)cc1F 585031628 WMBDLQRYYUCKTG-HOGDKLEQSA-N 287.165 -0.248 50 20 CBGD OC[C@H](CNCc1cccc(B(O)O)c1)C1CCC1 585040514 MBXHWQQKQSBJHY-ZDUSSCGKSA-N 263.146 -0.135 50 20 CBGD COc1ncc(S(=O)(=O)NCB(O)O)cc1Cl 585057693 XPGSCHUQVGXWOR-UHFFFAOYSA-N 280.498 -0.966 50 20 CBGD CN(C)C(=O)CNC(=O)NNc1ccc(F)cn1 731359747 ZRJDIZCFHRUXAJ-UHFFFAOYSA-N 255.253 -0.065 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CN1CSCC1=O 731852539 XQTNZJGLTKDMPD-UHFFFAOYSA-N 283.313 -0.988 50 20 CBGD COCCN1C[C@@H](C(=O)NNC(=O)C2CCC2)CC1=O 732140505 AOYDBONHXDDTNK-JTQLQIEISA-N 283.328 -0.571 50 20 CBGD CN(CC1CC1)S(=O)(=O)NNC(=O)C1CCC1 737756015 CNXIFNTZEMBASW-UHFFFAOYSA-N 261.347 -0.006 50 20 CBGD O=C(O)NCCC(=O)NNC(=O)c1ccc2c(c1)OCO2 739938751 ZELCBTKSVCEURW-UHFFFAOYSA-N 295.251 -0.166 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCCN1C 740850910 FKVAURNKZMNWEZ-JTQLQIEISA-N 284.360 -0.467 50 20 CBGD Cc1ccc(C(=O)NNC(=O)NC[C@@H]2COCCO2)o1 752363368 VJLQDUIDDLEXOW-SECBINFHSA-N 283.284 -0.053 50 20 CBGD O=C(CO)NNC(=O)c1cc(F)cc2nc(S)[nH]c12 753444600 NLYKZESPMVMDAM-UHFFFAOYSA-N 284.272 -0.256 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=O)c1ccc(C)o1 755022619 VHSXVUCUDVHCOF-NSHDSACASA-N 256.258 -0.254 50 20 CBGD Cn1cc(C(=O)NNC(=O)Nc2ccon2)cn1 757850826 DXTBRZKZPFVODI-UHFFFAOYSA-N 250.218 -0.125 50 20 CBGD O=C(NNc1ncc(F)cn1)[C@H]1CN2CCCN1CC2 765312091 VELZVDUHMDRBGY-SNVBAGLBSA-N 280.307 -0.551 50 20 CBGD CC(=NNC(=O)C(=O)N1CCCC1)c1ccnn1C 766013322 NCGKKNGKQUOORQ-UHFFFAOYSA-N 263.301 -0.117 50 20 CBGD CSCC[C@H](O)C(=O)NNC(=O)N1CCN(C)CC1 808033014 DPQFENRZBXPEKU-VIFPVBQESA-N 290.389 -0.911 50 20 CBGD COc1nccnc1NNC(=O)Nc1cnnn1C 809898661 MAJZHVKXIVMPNS-UHFFFAOYSA-N 264.249 -0.238 50 20 CBGD COc1cccc(C(=O)NNC(=O)c2ncn(C)n2)c1O 810191163 QWGPSMPYZZIUCL-UHFFFAOYSA-N 291.267 -0.396 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCCN1c1ncccn1 823912399 FDSWBWMAOLAFFV-QWRGUYRKSA-N 279.344 -0.211 50 20 CBGD CC(C)CS(=O)(=O)CC(=O)NN(C)[C@@H](C)CO 823970908 MTFICIGUGZBZFD-VIFPVBQESA-N 266.363 -0.599 50 20 CBGD Cc1ccncc1CC(=O)NNC(=O)C(=O)N1CCCC1 824877532 SVBCOCABJMPTHC-UHFFFAOYSA-N 290.323 -0.298 50 20 CBGD C[C@H](CC(=O)NN)/N=C1/NS(=O)(=O)c2ccccc21 825651630 GBKAREJOLLJGBK-SSDOTTSWSA-N 282.325 -0.506 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H](CO)CC1CC1 827276048 YCRSVCFCQIOGSA-JMJZKYOTSA-N 285.344 -0.097 50 20 CBGD C[C@@H]1C[C@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CO1 828422158 UAFCMONOMYONPX-YWVKMMECSA-N 291.373 -0.455 50 20 CBGD CC(CS(C)(=O)=O)=NNC(=O)[C@@H]1CCO[C@@H]1C 842558310 SCCXHXNDJHZITG-RKDXNWHRSA-N 262.331 -0.052 50 20 CBGD CN[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 843348743 PCIGZLJVAUDMTB-SNVBAGLBSA-N 254.334 -0.772 50 20 CBGD O=C(NNC(=O)[C@@]12CCC(=O)N1CCS2)c1ccc[nH]1 844371959 TVOFNUHYWRYNPZ-LBPRGKRZSA-N 294.336 -0.159 50 20 CBGD O=C(NNC(=O)c1cccc(F)n1)N[C@H](CO)C1CC1 852709303 RENUOGGSGBUOOI-SECBINFHSA-N 282.275 -0.064 50 20 CBGD CN(C)CCc1ccc(C(=O)NNC(=O)CO)cc1 857171274 XNDDVFYFSVPOCD-UHFFFAOYSA-N 265.313 -0.456 50 20 CBGD CC[C@H](C)N(C)CCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858195087 QZMJROHGILXHKI-UWVGGRQHSA-N 299.375 -0.674 50 20 CBGD CSC[C@@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858233835 VSNCBXZGKRJGCN-RNFRBKRXSA-N 274.346 -0.653 50 20 CBGD C[C@H](C(=O)NNC(=O)CC1CC1)[C@H]1CCC(=O)N1 861842277 GAXCPDLWPQCZKS-IONNQARKSA-N 253.302 -0.151 50 20 CBGD C=CCCOCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862453478 WBQYNOJEJKYEFF-MRVPVSSYSA-N 255.274 -0.995 50 20 CBGD CC(C)(C)n1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 862453723 YETLQXFZSYQSBB-SECBINFHSA-N 293.327 -0.322 50 20 CBGD COCC(C)(C)C=NNC(=O)CS(C)(=O)=O 863186978 SVSILHNHLYTRHM-UHFFFAOYSA-N 250.320 -0.194 50 20 CBGD CO[C@H]1CCC[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)C1 863465549 GONISWIGECAXHB-BDAKNGLRSA-N 292.357 -0.616 50 20 CBGD C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)CN(C)C)[C@H]1C 863864988 DSLRPSXYHDVDHJ-WYOJIJJFSA-N 257.334 -0.245 50 20 CBGD COCCOCC(=O)NNC(=O)CC(C)(F)F 869906701 PLWTWHOMPXNQCB-UHFFFAOYSA-N 254.233 -0.158 50 20 CBGD CO[C@@H]1COC[C@H]1NS(=O)(=O)CCCCl 882309220 UEXNWIMGNDYTBR-HTQZYQBOSA-N 257.739 -0.052 50 20 CBGD COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)CCCCl 882507206 JSYXOWXAUMQVGY-HTQZYQBOSA-N 285.749 -0.447 50 20 CBGD C=C/C=C/CCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 883737633 FZTCWPRPIICDJO-NWALNABHSA-N 266.301 -0.272 50 20 CBGD COc1ccc([C@H](NC(C)C)C(=O)NNC(=O)CO)cc1 897312266 BFIJJRVROBPCHS-ZDUSSCGKSA-N 295.339 -0.126 50 20 CBGD C#CC1(O)CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 912967213 SLEGGQYUPUSSGJ-UHFFFAOYSA-N 291.087 -0.894 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CN2CCCC2=O)nc1 913729165 IQUGZWNPNVRFKP-UHFFFAOYSA-N 276.296 -0.227 50 20 CBGD CN(NC(=O)C1CCN(S(C)(=O)=O)CC1)C1CC1 1118154034 KOVYPXQFBPXFAI-UHFFFAOYSA-N 275.374 -0.217 50 20 CBGD CCOC[C@H](NC(=O)NNC(=O)C(=O)OC)C(C)C 1320681399 UHTYFVWKEMGFEN-QMMMGPOBSA-N 275.305 -0.449 50 20 CBGD CCS(=O)(=O)/C(C#N)=C/c1cn(CC(=O)O)nn1 1320737348 LAOISKYVHKFNNQ-FPYGCLRLSA-N 270.270 -0.338 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cccc(O)n1 1321466235 MDUMKJYRBBKQSL-UHFFFAOYSA-N 266.257 -0.526 50 20 CBGD CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NN 1326663045 FYFNRHZPHAAHBY-UHFFFAOYSA-N 282.325 -0.429 50 20 CBGD COC(=O)NNC(=O)Cc1nc(C2CC2)nn1C 1327188930 LVMIMNFSUNHQDR-UHFFFAOYSA-N 253.262 -0.378 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CCc3cccnc32)N1 1329078966 RUSACDKTFMIGJI-VHSXEESVSA-N 288.307 -0.463 50 20 CBGD CC(C)(C(=O)NNc1ncncc1F)S(C)(=O)=O 1330458868 IJCUEXVCMOVZEZ-UHFFFAOYSA-N 276.293 -0.118 50 20 CBGD O=C(COCc1ccncc1)NNC(=O)C(=O)NC1CC1 1346327386 OQEZSJJTRFXAAK-UHFFFAOYSA-N 292.295 -0.976 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1nccn1C 1347048885 XHUBJNLBDFEMDJ-VHSXEESVSA-N 280.328 -0.075 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(N)=O)nc1 1349455943 NYIBFTHEPJTWJJ-VXNVDRBHSA-N 292.295 -0.634 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1[nH]c(O)nc1C 1349786293 MECLPVPSRQSKAW-UHFFFAOYSA-N 297.315 -0.510 50 20 CBGD COc1cccc(NC(=O)NNC(=O)C(=O)O)c1 1599676049 FEOWWTMDSSYHHT-UHFFFAOYSA-N 253.214 -0.068 50 20 CBGD NC(=O)CC(=O)NNc1cccc(F)c1C(=O)O 1601146935 WDTVDWFGVZHZAR-UHFFFAOYSA-N 255.205 -0.158 50 20 CBGD O=C(CCCn1ccc(C(=O)O)n1)NNc1nc[nH]n1 1601273425 ANUSUKUNNFAWDM-UHFFFAOYSA-N 279.260 -0.377 50 20 CBGD CNS(=O)(=O)c1ccc(C(C)=NNC(=O)C(=O)O)cc1 1606304212 FRSQXXCCILWLJU-UHFFFAOYSA-N 299.308 -0.481 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CCCO2)n1 47466065 ZXOVZZKVIAXRIL-SNVBAGLBSA-N 266.301 -0.174 50 20 CBGD C[C@H]1CNCCN1CC(=O)NNC(=O)c1cccs1 54373240 QHOSMEPPSXRFNB-VIFPVBQESA-N 282.369 -0.197 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)NC1CCC1 265682253 JPSQOAYLMSPWSF-UHFFFAOYSA-N 280.284 -0.108 50 20 CBGD Cc1nn(C)c(C)c1OCC(=O)NNC(=O)NC1CC1 268157822 GPCJUKLTVBMZAD-UHFFFAOYSA-N 281.316 -0.091 50 20 CBGD COC(=O)NC(C)(C)C(=O)NNC(=O)C(C)(C)O 277866681 CLGPOTHCHFXSHP-UHFFFAOYSA-N 261.278 -0.961 50 20 CBGD COC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)c1cccn1C 284907021 ATQSBDAKPOKODD-DTWKUNHWSA-N 279.296 -0.015 50 20 CBGD CN1C[C@@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)CC1=O 296505388 QFSFULGGDCKPRN-IUCAKERBSA-N 284.316 -0.883 50 20 CBGD COC[C@H](C)CC(=O)Nc1cccc(B(O)O)c1 405004849 QKILPTIRQZEZAS-SECBINFHSA-N 251.091 -0.023 50 20 CBGD C[C@@H](C(=O)Nc1cccc(B(O)O)c1)N1CCCCC1=O 584910135 NBSHOZYOTVOHMP-JTQLQIEISA-N 290.128 -0.294 50 20 CBGD CN(CC1(O)CCCC1)C(=O)c1ccc(B(O)O)c(F)c1 584965120 MLULEJZRNFJTJX-UHFFFAOYSA-N 295.119 -0.117 50 20 CBGD CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc(B(O)O)cc1 584969793 XKGRSUIIENVIRP-VXGBXAGGSA-N 290.128 -0.989 50 20 CBGD C[C@H]1C[C@@H](CNC(=O)c2ccc(B(O)O)cc2)CCO1 584970051 LBHAMMVOFFLGRP-QWRGUYRKSA-N 277.129 -0.089 50 20 CBGD CN(C[C@H]1CCCC[C@H]1O)C(=O)c1ccc(B(O)O)cc1 584972028 KZDMXOJYZSGCOW-TZMCWYRMSA-N 291.156 -0.011 50 20 CBGD CC(C)[C@H]1CN(C(=O)c2cccc(B(O)O)c2)CCO1 584972338 UFPGKCFWSYMRPC-CYBMUJFWSA-N 277.129 -0.137 50 20 CBGD CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(B(O)O)cc1 584982665 HPKCEMKDBNUXMF-CQSZACIVSA-N 290.172 -0.077 50 20 CBGD CC[C@@H]1CN(CC)CCN1C(=O)c1ccc(B(O)O)cc1 584996368 GISCEAIZEYWLRV-CQSZACIVSA-N 290.172 -0.077 50 20 CBGD C[C@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)CS1 585002250 RCIRRRLXASEQQT-GZMMTYOYSA-N 265.143 -0.010 50 20 CBGD C[C@H](CO[C@H]1CCOC1)NCc1ccc(B(O)O)cc1F 585030039 DEDJMOCRRNXZIS-MFKMUULPSA-N 297.135 -0.211 50 20 CBGD COC1CC(CCNCc2ccc(B(O)O)o2)C1 585046792 YIWLQPNFFNXTJX-UHFFFAOYSA-N 253.107 -0.136 50 20 CBGD Cc1ccc(N2C[C@@H](C(=O)NCB(O)O)CC2=O)cc1 585059014 XGYLYCGOQNXJGP-JTQLQIEISA-N 276.101 -0.524 50 20 CBGD CNC(=O)NNC(=O)COc1ccc(C=O)cc1 727374646 YLEBQJCLIRRKIZ-UHFFFAOYSA-N 251.242 -0.162 50 20 CBGD CS(=O)(=O)CCNC(=S)NNC(=O)C1CCCC1 729155621 XVWMZQGVPRWWJO-UHFFFAOYSA-N 293.414 -0.284 50 20 CBGD CCNC(=O)N1CCN([C@H](C)C(=O)NNC(=O)CC)CC1 732196593 CQWOYCGXIGWWIJ-SNVBAGLBSA-N 299.375 -0.721 50 20 CBGD CN1CC[C@H](NC(=O)NNC(=O)c2ccccc2O)C1=O 739059366 NAEJROVVSZRRQT-VIFPVBQESA-N 292.295 -0.433 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc2n[nH]cc2c1 746582236 QRZGXGQSNOIXCH-UHFFFAOYSA-N 289.295 -0.152 50 20 CBGD COCCNC(=S)NNC(=O)Cc1ccncc1 747672564 NLRAHPSLRKCUSI-UHFFFAOYSA-N 268.342 -0.234 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 753721442 SWKRKUMQUFRKQK-SNVBAGLBSA-N 299.233 -0.403 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C[C@](C)(O)C1CC1 755921664 TUYRDALVNUUMHL-AWEZNQCLSA-N 299.371 -0.010 50 20 CBGD CCC(=O)NNS(=O)(=O)c1csnc1C(=O)OC 755954986 GMZGDVWXMCVNCW-UHFFFAOYSA-N 293.326 -0.351 50 20 CBGD CCOCC(=O)NNC(=O)Nc1cc(C)n(C)n1 757754795 WCPRSVKXVUBDOI-UHFFFAOYSA-N 255.278 -0.082 50 20 CBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)c1c[nH]nc1C 758486081 LJYSBZDUUQRGKU-ZCFIWIBFSA-N 268.273 -0.322 50 20 CBGD C=C(C)COCCNC(=O)NNC(=O)COCC 762366357 ARXBAEGQJZMFEX-UHFFFAOYSA-N 259.306 -0.054 50 20 CBGD CC(C)(C)CC(=O)NNS(=O)(=O)N1CCOCC1 765075491 ACKKMQIHMHSMMT-UHFFFAOYSA-N 279.362 -0.380 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H](C)[C@H]1CN(C)CCO1 770436887 BKRMBZILCKDTFX-VHSXEESVSA-N 288.348 -0.928 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCCC(=O)OC 772321279 PKKYXKNCUBZXNH-MRVPVSSYSA-N 288.300 -0.181 50 20 CBGD C#CCOCCC(=O)NNC(=O)CNC(=O)OC(C)(C)C 778437950 IBJDAHARDJLIJC-UHFFFAOYSA-N 299.327 -0.302 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CO[C@@H](C)C1 784398813 VELPEOJCXQPULU-XPUUQOCRSA-N 252.274 -0.096 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)C(C)(OCC)OCC 807368981 MUWRTMLYRHHXAL-UHFFFAOYSA-N 289.332 -0.551 50 20 CBGD C=CCOCC(=O)NNC(=O)N1CCN(C)CC1 807381856 LXUBQMDTYFJEOS-UHFFFAOYSA-N 256.306 -0.823 50 20 CBGD CC(=O)NCC(=O)NCC(=O)N(C)CC(Cl)Cl 808248990 VJWXZRMVUSOXAZ-UHFFFAOYSA-N 284.143 -0.499 50 20 CBGD CC1(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)COC1 814814498 NFAWBLQJAGJHQD-QMMMGPOBSA-N 275.330 -0.505 50 20 CBGD C=CCCn1cc(C(=O)NNC(=O)c2c[nH]nc2C)nn1 819254710 SQVCWIJFSYACIZ-UHFFFAOYSA-N 289.299 -0.039 50 20 CBGD CCN(CCO)NC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 823853043 XZFQFKFFHWRUJW-LLVKDONJSA-N 297.359 -0.752 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccc(-c2nn[nH]n2)nc1 825470682 HWRYUTBKLZQFOZ-UHFFFAOYSA-N 290.287 -0.432 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=S)NCCSC 831575591 PNJFNZHSIJSFAV-SSDOTTSWSA-N 281.403 -0.494 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)C1 843964955 HCAVGXVBLAXYAQ-QXFUBDJGSA-N 254.286 -0.072 50 20 CBGD C[C@@H](CO)C1CCN(CC(=O)NNC(=O)C2CC2)CC1 844416535 PFTWDVRWLIEDHY-JTQLQIEISA-N 283.372 -0.116 50 20 CBGD COCCNC(=S)NNC(=O)c1cccc(F)n1 853052519 VQQNYEFUXGONBA-UHFFFAOYSA-N 272.305 -0.024 50 20 CBGD CNC(=S)N(C)NC(=O)Cn1ccc([N+](=O)[O-])n1 854926257 YJWMBPBUSGHGTM-UHFFFAOYSA-N 272.290 -0.741 50 20 CBGD COC(=O)C[C@H](C)CC(=O)NNc1cnnn1C 857271067 ZBXBWZRJXLBWBD-SSDOTTSWSA-N 255.278 -0.153 50 20 CBGD CCOC[C@H]1CN(CC(=O)NNC(=O)C(C)C)CCO1 859772876 VAJKCGDROAJHRR-LLVKDONJSA-N 287.360 -0.473 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2ccc(F)cn2)N1 860910835 UFYNEHPWHIKBHX-SSDOTTSWSA-N 281.247 -0.348 50 20 CBGD Cc1ccc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 862450523 VTMANFTUVGMJOG-LLVKDONJSA-N 275.308 -0.036 50 20 CBGD CCC[C@H](OC)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862462348 WNXZKDBDLGPLEH-YUMQZZPRSA-N 257.290 -0.773 50 20 CBGD COC(=O)c1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)n1C 863149485 AOXVAENREFMODY-VIFPVBQESA-N 292.295 -0.460 50 20 CBGD CC#CCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 875504169 NXOIDPWQNUJZAT-MRVPVSSYSA-N 252.274 -0.991 50 20 CBGD C#CCCCC(=O)NNC(=O)C[C@H]1CCC(=O)NC1 887150619 QLUZCOAMXYZBMP-SNVBAGLBSA-N 265.313 -0.146 50 20 CBGD C=CC(=O)N(CC)CC(=O)NNC(=O)NCCCOC 900385762 ZCKKIJNPJVAGPK-UHFFFAOYSA-N 286.332 -0.612 50 20 CBGD CC(=O)N(CC(=O)NNC(=O)C(C)(C)O)c1ccccc1 907624279 CFSIBVKGIDIVET-UHFFFAOYSA-N 293.323 -0.042 50 20 CBGD CC(C)[C@@H](C(=O)NN(C)C[C@@H](C)O)N1CCCC1=O 910170103 XZASKSYDPFZTMJ-PWSUYJOCSA-N 271.361 -0.023 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F 910183558 MKSTTZIVDLNPRC-RNJXMRFFSA-N 297.277 -0.355 50 20 CBGD Cc1ncc2n1CC[C@@H](C(=O)NNC(=O)CN(C)C)C2 1117676326 ZMKHRGHLMFNXOI-SNVBAGLBSA-N 279.344 -0.537 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc(C#N)n1 1118139794 WULWWWLGOWQYPQ-UHFFFAOYSA-N 290.283 -0.416 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)[C@@H]1CCCOC1 1118806341 VCZDTYDXXMURFF-IVZWLZJFSA-N 298.343 -0.590 50 20 CBGD CC(=O)NNC(=O)Cc1ccccc1NS(C)(=O)=O 1261253021 LDRWNEXTNLCSDN-UHFFFAOYSA-N 285.325 -0.232 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCn2cncc2C1 1261910847 KXVZIEANQKRACH-UWVGGRQHSA-N 252.318 -0.211 50 20 CBGD Cc1cnn(CCC(=O)NNc2nnc(C)c(O)n2)c1 1317911420 KOBJUYQKYYXUEI-UHFFFAOYSA-N 277.288 -0.076 50 20 CBGD C[C@@H](Cn1cccn1)NC(=O)NNC(=O)c1cnn(C)c1 1318669020 YRVSDFXKNXKNCY-VIFPVBQESA-N 291.315 -0.351 50 20 CBGD CS(=O)(=O)CCCNC(=O)NNc1ncccn1 1318757170 NSAPYCUPGMYRIK-UHFFFAOYSA-N 273.318 -0.463 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1C[C@@](C)(OC)C1(C)C 1319300236 UETASBYBGSVQLQ-JVXZTZIISA-N 287.316 -0.307 50 20 CBGD CC(C)(C)C(=O)C(=O)NNC(=O)Cc1cc[nH]n1 1320113439 NEOLMCLTCCWEBT-UHFFFAOYSA-N 252.274 -0.285 50 20 CBGD COCCCNC(=O)NNC(=O)CCc1ccncn1 1321925235 QWBODYMAADAQEI-UHFFFAOYSA-N 281.316 -0.224 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1cccc(F)c1 1322252995 HNVXQKIBBSFEPM-UHFFFAOYSA-N 269.232 -0.171 50 20 CBGD CCNC(=O)N(C)NC(=O)CCC[C@@]1(C)NC(=O)NC1=O 1324000957 UOOTXGSEYAWPTN-GFCCVEGCSA-N 299.331 -0.553 50 20 CBGD O=C(CO)NNC(=O)CCc1nnc(-c2ccccc2)o1 1325301239 YWLPDZOOIAJQNO-UHFFFAOYSA-N 290.279 -0.191 50 20 CBGD Cc1cnc(CC(=O)NNC(=O)CS(C)(=O)=O)s1 1329128670 VHYZZRCINHRUSR-UHFFFAOYSA-N 291.354 -0.814 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1cnc(CC)nc1 1342602067 VUBLMPBWHXKVQJ-UHFFFAOYSA-N 295.299 -0.839 50 20 CBGD Cn1cncc1C(=O)NNc1ncnc2[nH]cnc12 1347195351 PDPURCFQGYYREJ-UHFFFAOYSA-N 258.245 -0.157 50 20 CBGD O=C(NNC(=S)NC[C@@H]1CCOC1)C1CCOCC1 1350694092 WLDWBEZAZJXVPM-VIFPVBQESA-N 287.385 -0.055 50 20 CBGD CCn1cc(C(=O)NNC(=O)C(=O)NC2CC2)c(C)n1 1351694163 VVWAATLWUXNZPC-UHFFFAOYSA-N 279.300 -0.749 50 20 CBGD O=C(O)c1cccnc1NNC(=O)[C@H]1CCS(=O)(=O)C1 1574820517 RHJVAYMOBZRKGZ-ZETCQYMHSA-N 299.308 -0.342 50 20 CBGD CC1(C(=O)NNC(=O)CN)CCC2(CC1)OCCO2 1576349740 HTQAUVBVLIIVHP-UHFFFAOYSA-N 271.317 -0.584 50 20 CBGD CC(C)C(=O)NNC(=O)c1cc(C(=O)O)nn1C 1590939479 WFOPQMFNOUFKHZ-UHFFFAOYSA-N 254.246 -0.465 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)C2(C(=O)O)CCC2)n1 1594298101 AIOOTMZZCOWVEJ-UHFFFAOYSA-N 294.311 -0.098 50 20 CBGD O=C(O)Cn1cccc1C=NNC(=O)[C@@H]1COCCO1 1595158450 OIOPCKRLPOVITA-JTQLQIEISA-N 281.268 -0.562 50 20 CBGD COC(=O)NNC(=O)c1cc(C)c(-c2nn[nH]n2)cn1 1604951236 PIEOFGLRXZGIRO-UHFFFAOYSA-N 277.244 -0.429 50 20 CBGD CCC[C@@H](NC(=O)c1cccc(B(O)O)c1)C(=O)O 1605353840 HAOMCZPPEKABJU-SNVBAGLBSA-N 265.074 -0.651 50 20 CBGD O=C(NNC(=O)C12CC(C(=O)O)(C1)C2)[C@H]1CCCCO1 1610699040 CBTOGHOXMNTBAP-MWBRBAFOSA-N 282.296 -0.042 50 20 CBGD CCOC(=O)NCC(=O)NNC(=O)c1ccccn1 49081330 PCOKBIIYFPPCFE-UHFFFAOYSA-N 266.257 -0.411 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](CCC(N)=O)C1 109836775 MJADASZAHRHZJC-WDEREUQCSA-N 298.387 -0.090 50 20 CBGD CN1C[C@@H](C(=O)NNC(=O)c2ccc(C#N)cc2)CC1=O 129114667 DUFWURKZUAYGNF-NSHDSACASA-N 286.291 -0.202 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)c2ccc[nH]2)C1 173691476 NRKSVZIQLZJKKY-VIFPVBQESA-N 252.274 -0.894 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H](C)N2CCN(C)CC2)[nH]n1 268992979 FFHKPFWXUBVHDQ-JTQLQIEISA-N 294.359 -0.885 50 20 CBGD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NN)C2=O)cc1 270228034 NYLANKRZYYDWDV-ZDUSSCGKSA-N 276.296 -0.248 50 20 CBGD C[C@H](Cn1cccn1)NC(=O)NNC(=O)[C@@H]1CCCO1 291745386 ZEVVRPZZDPHGOV-ZJUUUORDSA-N 281.316 -0.219 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cnccn2)O1 292778769 QQSIERUFHIZHHB-CBAPKCEASA-N 250.258 -0.195 50 20 CBGD COc1ccc2c(c1)OC[C@@H](C(=O)NNC(=O)CO)C2 367734112 ZTMQEASAJFDXSP-VIFPVBQESA-N 280.280 -0.614 50 20 CBGD CC(C)NC(=O)/C(C#N)=C\c1cn(C)c(=O)n(C)c1=O 490587849 MKSRWQXERRRHNJ-UITAMQMPSA-N 276.296 -0.484 50 20 CBGD Cn1cc(CCC(=O)Nc2cccc(B(O)O)c2)nn1 584912317 RCDGVSOMYRPHEH-UHFFFAOYSA-N 274.089 -0.934 50 20 CBGD NC(=O)C[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584954482 JHQZRJONFHVEEX-SNVBAGLBSA-N 290.128 -0.906 50 20 CBGD C[C@@H](NC(=O)c1ccc(B(O)O)cc1)C1=CCN(C)CC1 584971850 GBTANEXQFWQPIL-LLVKDONJSA-N 288.156 -0.253 50 20 CBGD O=C(NCCC[C@H]1CCOC1)c1cccc(B(O)O)c1 584996204 AFTPADXPHYNQJH-NSHDSACASA-N 277.129 -0.087 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@H](CF)C1 585002153 OIOFBASDCDXTNM-NSHDSACASA-N 267.065 -0.823 50 20 CBGD CN(C)c1noc(CNCc2ccc(B(O)O)cc2F)n1 585036524 MIMUSIKEQDBTNW-UHFFFAOYSA-N 294.095 -0.756 50 20 CBGD O=C(CN1CCCC[C@H]1C(=O)O)NNC(=O)C1CC1 738467563 SBSCRBRCAHSKNG-VIFPVBQESA-N 269.301 -0.517 50 20 CBGD CCCCNC(=O)NNC(=O)C[C@H]1SC(=N)NC1=O 742586404 YLHJLNUGAFOHBI-ZCFIWIBFSA-N 287.345 -0.327 50 20 CBGD O=C(COCc1ccccc1)NNC(=O)c1nc[nH]n1 746192113 LUZRGROLAFUFMY-UHFFFAOYSA-N 275.268 -0.218 50 20 CBGD COc1cc(C)nc(NNC(=O)NC[C@H]2COCCO2)n1 746754876 DYOVFTPFCKAKCW-VIFPVBQESA-N 297.315 -0.165 50 20 CBGD CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)c2c[nH]nc2C)C1 746848713 MFNZXRHCXMWIKG-CYBMUJFWSA-N 293.327 -0.262 50 20 CBGD CCOCCCC(=O)NNC(=O)CNC(=O)c1ccco1 751202378 RWYPPVGMXBRWSZ-UHFFFAOYSA-N 297.311 -0.027 50 20 CBGD CN(C)C(=O)c1cccc(NC(=O)NNC(=O)CO)c1 755611217 JEARFHIVFWLLOI-UHFFFAOYSA-N 280.284 -0.467 50 20 CBGD CSCCNC(=S)NNC(=O)C(C)(C)O 756891800 GPPWUTSLPGZUPT-UHFFFAOYSA-N 251.377 -0.384 50 20 CBGD CC[C@@H]1CC[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)O1 756924751 OQPBZMUAYCHPJH-NXEZZACHSA-N 283.328 -0.286 50 20 CBGD NC(=O)[C@@H]1CC[C@@H](CNC(=O)NNc2ccc(F)cn2)O1 759777809 XCLRSMGFAHQNLB-IUCAKERBSA-N 297.290 -0.120 50 20 CBGD CC1(Cn2cc(C(=O)NNC(=O)C3CCC3)nn2)COC1 759856202 XXWQUXDHWILOQM-UHFFFAOYSA-N 293.327 -0.124 50 20 CBGD CCNC(=O)NNC(=O)c1cc(OC(F)F)n(C)n1 767251642 USVKDDUDAMTOFZ-UHFFFAOYSA-N 277.231 -0.015 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCCN1c1ncccn1 768260249 VEVVSZVLCHLOAV-SECBINFHSA-N 293.327 -0.636 50 20 CBGD CSCCNC(=S)NNC(=O)CN1CCOCC1 770241607 ZVQDDCGCTINBAU-UHFFFAOYSA-N 292.430 -0.823 50 20 CBGD CSCCNC(=S)NNC(=O)c1ccn(C)n1 770245852 HZNMVKSZWYTUPT-UHFFFAOYSA-N 273.387 -0.108 50 20 CBGD COC(=O)COc1ccc(C=NNC(=O)CO)cc1 782227449 LNWPOMQPAWHRHL-UHFFFAOYSA-N 266.253 -0.319 50 20 CBGD CCOC(=O)NNS(=O)(=O)C[C@@H]1CCCOC1 788140328 VJHURPKWMKCJIS-MRVPVSSYSA-N 266.319 -0.007 50 20 CBGD COCCO[C@H](C)C(=O)NN=C1C(=O)OC[C@H]1C 794914732 JAJIOFBCDWEYRM-HTQZYQBOSA-N 258.274 -0.297 50 20 CBGD CCOC(=O)CC(C)(C)CC(=O)NNC(=O)CO 807195927 NUZNTGQDPFDIND-UHFFFAOYSA-N 260.290 -0.504 50 20 CBGD CN1CCN(C(=O)NNC(=O)COCC(F)(F)F)CC1 807381196 IIHUIQLKCUKLFQ-UHFFFAOYSA-N 298.265 -0.447 50 20 CBGD CC(=NNC(N)=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 814686537 LXHROADECOOLNP-UHFFFAOYSA-N 298.324 -0.662 50 20 CBGD O=C(CC1CC1)NNC(=O)[C@@H]1CSCC(=O)N1 820758455 WDNNTADPRIKPGE-ZETCQYMHSA-N 257.315 -0.835 50 20 CBGD CCC(=O)N1CCC[C@H](C(=O)NN(CC)CCO)C1 823852995 WFYSVDDHZXSPEW-NSHDSACASA-N 271.361 -0.020 50 20 CBGD CC1CCN(C(=O)C(=O)NN(C)[C@@H](C)CO)CC1 823934614 IKUUILLSSIOJPU-JTQLQIEISA-N 257.334 -0.411 50 20 CBGD O=C(NN[C@H](C(=O)O)c1cccnc1)c1cnccn1 833148427 JEKAYEQKYFYMHH-JTQLQIEISA-N 273.252 -0.068 50 20 CBGD C#CCOCCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843662449 RCTPLXCOICUZLK-VHSXEESVSA-N 254.286 -0.401 50 20 CBGD COC/C(C)=C\C(=O)NNC(=O)c1ncccn1 844585370 OANZLKWJRZDJPP-VURMDHGXSA-N 250.258 -0.170 50 20 CBGD COC(=O)N(C)NC(=O)[C@H]1CCCS(=O)(=O)C1 846122201 KKGWTZTXYIJYJY-ZETCQYMHSA-N 264.303 -0.459 50 20 CBGD N#CSCCCNC(=O)CCn1cc[nH]c(=O)c1=O 854362441 OAQGVKXEYGKTJE-UHFFFAOYSA-N 282.325 -0.353 50 20 CBGD O=C(NNC(=O)[C@@H]1CC12CCOCC2)c1cc[nH]n1 855358058 ZQFDFXZYUAXKFL-QMMMGPOBSA-N 264.285 -0.013 50 20 CBGD O=C(CCCN1C(=O)CCC1=O)NNC(=O)c1cc[nH]n1 855359038 CRXJMNQJCHXQBV-UHFFFAOYSA-N 293.283 -0.900 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=O)CNc1ccccc1 856772901 JTPAGERMUVCUNW-LLVKDONJSA-N 281.312 -0.093 50 20 CBGD CC(C)C[C@@H](CO)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858694939 CUEFNZKIECMGPQ-IUCAKERBSA-N 286.332 -0.998 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](NC=O)C(C)C 859267665 HCICNWPAKJPWSH-VIFPVBQESA-N 267.289 -0.750 50 20 CBGD CN(C)CCCNC(=S)NNC(=O)c1cn[nH]c1 863204666 FZGWKQKCTXKXPP-UHFFFAOYSA-N 270.362 -0.530 50 20 CBGD CSCC1(CC(=O)NNC(=O)CS(C)(=O)=O)CC1 863466925 HDMLXTSMXDWASW-UHFFFAOYSA-N 294.398 -0.288 50 20 CBGD CC[C@@H](NC(C)=O)C(=O)NNC(=O)[C@H]1CCCCO1 868619737 RVPDKIQXLYKMKS-NXEZZACHSA-N 271.317 -0.382 50 20 CBGD CC(=NNC(=O)C(=O)NC(C)C)c1cn(C)cn1 872339052 WUAQIHPSGIHKKH-UHFFFAOYSA-N 251.290 -0.215 50 20 CBGD COCCOCC(=O)NNS(=O)(=O)N1CCCCC1 872383002 JQEHGVMOWXICPE-UHFFFAOYSA-N 295.361 -0.999 50 20 CBGD COCC(=O)NNC(=O)Nc1ccnc(CN(C)C)c1 880613283 RYWCARDKUYCLJG-UHFFFAOYSA-N 281.316 -0.058 50 20 CBGD COCC(=O)N[C@H](C(=O)NN(C)C[C@@H](C)O)C(C)C 910163532 QUPPBOXHPHIFLW-KOLCDFICSA-N 275.349 -0.883 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O 910180163 SODIKCUEWUQHFX-ZJUUUORDSA-N 293.389 -0.856 50 20 CBGD NC(=O)C(=O)NN=C1CCN(CC(F)(F)F)CC1 915934676 GIQUJVQPNJDFOJ-UHFFFAOYSA-N 266.223 -0.398 50 20 CBGD CCCNC(=O)NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 921039783 YVQWZRAMDMZKBY-QMMMGPOBSA-N 268.317 -0.262 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCc2nc[nH]n2)n[nH]1 1116304216 IFENOBAZRUOETM-UHFFFAOYSA-N 263.261 -0.770 50 20 CBGD CC(C)C(=O)N1CCC(C(=O)NNC(=O)C(C)(C)O)CC1 1116728774 WOXQRDXZWIXKQZ-UHFFFAOYSA-N 299.371 -0.201 50 20 CBGD CCCCNC(=O)NNC(=O)c1nc2ncccn2n1 1118634175 LSFYSYGSWPVVJH-UHFFFAOYSA-N 277.288 -0.132 50 20 CBGD CCn1cncc1C=NNC(=O)CS(C)(=O)=O 1118954410 ZYDBMYAHGKAKFM-UHFFFAOYSA-N 258.303 -0.602 50 20 CBGD O=C(CS(=O)(=O)C1CCCC1)N1CC[C@@H](B(O)O)C1 1261844175 FGJOXEFBPGIDNV-SECBINFHSA-N 289.162 -0.581 50 20 CBGD CCn1cc(NC(=S)NNC(=O)COC)cn1 1319235158 IGWZOHDXSOYODC-UHFFFAOYSA-N 257.319 -0.133 50 20 CBGD COc1ccc(NNC(=O)c2cn(CC(N)=O)nn2)cc1 1322254122 DDOVMTMWQGTRNI-UHFFFAOYSA-N 290.283 -0.471 50 20 CBGD Cc1cc(C(=O)NNC(=O)Cc2cc[nH]n2)n(C)n1 1322551256 XZEMSKIAJQDZPO-UHFFFAOYSA-N 262.273 -0.545 50 20 CBGD O=C(CCc1nc[nH]n1)NNC(=O)c1cccnc1 1323564490 IXRKKCIXPHZOPU-UHFFFAOYSA-N 260.257 -0.407 50 20 CBGD C[C@@H](Cn1cccn1)NC(=O)NNC(=O)c1cn[nH]c1 1330027331 ADXJZMPGSGRMCA-QMMMGPOBSA-N 277.288 -0.361 50 20 CBGD O=C(NCc1ncccn1)NNC(=O)[C@@H]1CCCCO1 1330096859 BIMBZEHTCQPLIF-VIFPVBQESA-N 279.300 -0.124 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1C[C@H]1c1cncn1C 1330787748 UPVBHZQAUKYGNC-HTQZYQBOSA-N 251.290 -0.126 50 20 CBGD COCCOCCC(=O)NNC(=O)C1CCOCC1 1331287066 ABBSESPMJGMZFT-UHFFFAOYSA-N 274.317 -0.387 50 20 CBGD Cc1nnc2n1C[C@H](C(=O)NNC(=O)C1CC1)CC2 1335285140 CKXRWRQRXFPFNE-SECBINFHSA-N 263.301 -0.294 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cnccc1C 1342591311 LUPVHZXSXVVTSF-UHFFFAOYSA-N 250.258 -0.114 50 20 CBGD Cc1noc(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n1 1345722724 NHFKGSRZMWWUIR-SVRRBLITSA-N 283.288 -0.367 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@H](N)CO)cc1F 1573940787 QDILWOGENOUPOA-SECBINFHSA-N 271.248 -0.625 50 20 CBGD CCCC[C@@H](N)C(=O)NNc1nnc(C)c(O)n1 1577410659 UMQROUOEQHZBPZ-SSDOTTSWSA-N 254.294 -0.154 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc(-c2nn[nH]n2)c(F)c1 1592879179 YZZOKDVQQUYEMI-UHFFFAOYSA-N 295.234 -0.849 50 20 CBGD COCCN(C)NC(=O)Nc1ccn(CC(=O)O)n1 1593995551 HJQUHSKSFSITDV-UHFFFAOYSA-N 271.277 -0.418 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C(C)(C)CC(=O)O 1594712555 RHUWBTKKANSACW-ZETCQYMHSA-N 288.300 -0.024 50 20 CBGD O=C(O)CN(CC1CC1)C(=O)c1cc(B(O)O)ccc1F 1595069847 JEFMNGSFLFKCDL-UHFFFAOYSA-N 295.075 -0.558 50 20 CBGD COCCN(C)NC(=O)CC[C@@H]1C[C@H](C(=O)O)CO1 1599232508 USZKXGYZPIVNJT-VHSXEESVSA-N 274.317 -0.134 50 20 CBGD O=C(Cn1ccc(C(=O)O)n1)NN=c1cc[nH]cc1F 1601385188 URKIZBKEJJVQQB-UHFFFAOYSA-N 279.231 -0.319 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)Cc1cnn(C)c1 112975918 RJBZJSZPFQZURO-UHFFFAOYSA-N 265.317 -0.591 50 20 CBGD COC(=O)NC(C)(C)C(=O)NNC(=O)c1ccncc1 264153864 AEWFDZYZKKYILY-UHFFFAOYSA-N 280.284 -0.023 50 20 CBGD CCS(=O)(=O)C[C@@H](C)NC(=O)NNc1ncccn1 264982192 FWTFMKLHOFATOC-MRVPVSSYSA-N 287.345 -0.074 50 20 CBGD COC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)C2CC2)O1 289526720 BMLVAHGIBDNBOH-JGVFFNPUSA-N 256.258 -0.736 50 20 CBGD COC(=O)N(C)NC(=O)c1cccn2c(O)nnc12 496807782 FRAMHQHGUNEQAE-UHFFFAOYSA-N 265.229 -0.222 50 20 CBGD O=C(N[C@H]1C[C@H]2CCCCN2C1)c1ccc(B(O)O)cc1 584997849 KPUMRQIAMMSSNN-UONOGXRCSA-N 288.156 -0.277 50 20 CBGD C[C@@H]1CN(C)CC[C@H]1NCc1ccccc1B(O)O 585022144 JVLUORNRUGLOSG-BXUZGUMPSA-N 262.162 -0.204 50 20 CBGD C[S@@](=O)CCCNCc1ccc(B(O)O)cc1 585030320 YVQPTFTVAQCPSB-QGZVFWFLSA-N 255.148 -0.775 50 20 CBGD COc1nn(C)cc1NCc1ccc(B(O)O)cc1F 585037749 IWUISENXXGZRKA-UHFFFAOYSA-N 279.080 -0.140 50 20 CBGD OB(O)c1ccc(CNCC[C@H](O)C(F)(F)F)c(F)c1 585041114 UKGCCTGGCYJGIC-JTQLQIEISA-N 295.041 -0.092 50 20 CBGD Cc1c(Cl)cccc1S(=O)(=O)NCB(O)O 585054076 HKIHOGIZBMGZLV-UHFFFAOYSA-N 263.511 -0.061 50 20 CBGD COc1ccnc(NNC(=O)c2ccc(C(N)=O)cn2)n1 748836707 WMCOXWVYUWIGOL-UHFFFAOYSA-N 288.267 -0.264 50 20 CBGD CN(C)C(=O)CCCC(=O)NNC(=O)C(C)(C)O 768256770 YLDMZAJXJSNKTB-UHFFFAOYSA-N 259.306 -0.837 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H]1CCCC[C@H]1C(N)=O 782536776 XIMBWMYZBGYHDC-AEJSXWLSSA-N 284.360 -0.434 50 20 CBGD COC(C)(C)CC(=O)NNC(=O)C(=O)NC1CC1 784832335 NZJGHPKSZSFMDD-UHFFFAOYSA-N 257.290 -0.773 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H](COC)[C@@H]1CCCO1 789380690 AWXFFXVTCUSDOC-AXFHLTTASA-N 287.360 -0.284 50 20 CBGD CS(=O)(=O)C1(C(=O)NNC(=O)C2CCC2)CCC1 793477758 KRLIJXCFBLDJCI-UHFFFAOYSA-N 274.342 -0.099 50 20 CBGD CCCNC(=O)NNC(=O)CCn1cnccc1=O 794249928 RHTOCNMJPSDFCG-UHFFFAOYSA-N 267.289 -0.626 50 20 CBGD Cn1ncc(C(=O)NNC(=O)N=c2cc[nH]cc2)n1 803394213 QEQJWXFOQWAKPU-UHFFFAOYSA-N 261.245 -0.902 50 20 CBGD COCc1ncsc1C(=O)NNC(=O)CN(C)C 806772013 YSZHZTSWXLLKFI-UHFFFAOYSA-N 272.330 -0.388 50 20 CBGD CN1CCN(C(=O)NNC(=O)C2CCC(O)CC2)CC1 807380075 OIEOWDHAASVHIQ-UHFFFAOYSA-N 284.360 -0.474 50 20 CBGD COC(=O)CNC(=O)NN=C(C)C[C@H]1CCC(=O)N1 811647527 PWAJKCJAJFGDBC-MRVPVSSYSA-N 270.289 -0.497 50 20 CBGD CCn1nncc1C(=O)NNC(=O)c1ccncc1 814682592 OFCCZZXHFPOFPE-UHFFFAOYSA-N 260.257 -0.232 50 20 CBGD Cn1cc(C=NNC(=O)c2ccncc2)c(=O)n(C)c1=O 839381920 ODQMYRDABYKALZ-UHFFFAOYSA-N 287.279 -0.757 50 20 CBGD CCOCC(=O)NNC(=O)NCc1nnn(C(C)(C)C)n1 847419346 SNZYRYKCJYEMAB-UHFFFAOYSA-N 299.335 -0.705 50 20 CBGD Cn1ncc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)n1 853390091 LDJLMPCENHHKAX-MNOVXSKESA-N 278.316 -0.872 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@](C)(O)C2CC2)CC1 854383108 WBWDGWGODOKYCJ-GFCCVEGCSA-N 270.333 -0.864 50 20 CBGD CNC(=S)N(C)NC(=O)CN1CCCCC1=O 854925445 GSTHIHRBAPBBPD-UHFFFAOYSA-N 258.347 -0.534 50 20 CBGD CC(C)(C)C(=O)NNC(=O)c1ccc(C(N)=O)[nH]1 856986347 SDWSDEMAIIELJR-UHFFFAOYSA-N 252.274 -0.079 50 20 CBGD O=C(NNC(=O)c1cc(F)cnc1O)C(=O)N1CCCC1 857091922 AYJTXMMBGZKWFF-UHFFFAOYSA-N 296.258 -0.690 50 20 CBGD O=C(CC1OCCCO1)NNC(=O)c1cn[nH]c1 862471258 XUKCTJJQKWSNKR-UHFFFAOYSA-N 254.246 -0.676 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNC(=O)Cc1cc(C)[nH]n1 869013931 BMSWXJUUOULIMW-NSHDSACASA-N 295.343 -0.871 50 20 CBGD Cn1c(C(=O)NNC(=O)CC(F)(F)F)cnc1O 869021344 SWSWZNQEPGYVEI-UHFFFAOYSA-N 266.179 -0.161 50 20 CBGD CO[C@@H]1CN[C@@](C)(C(=O)NNc2ncccn2)C1 876590374 UYMWUYWMKRZPNX-GZMMTYOYSA-N 251.290 -0.313 50 20 CBGD CCn1c(O)nc2cc(C(=O)NNC(C)=O)ccc2c1=O 918781032 DTQPJLLDWCUSJB-UHFFFAOYSA-N 290.279 -0.097 50 20 CBGD CN1CC(=O)N(CC(=O)NNC(=O)C(C)(C)C)C1=O 920436513 QTHPANLJIXDIFU-UHFFFAOYSA-N 270.289 -0.926 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)NCC2CC2)o1 1116338483 VTDYYHWRTOIMEN-UHFFFAOYSA-N 266.257 -0.268 50 20 CBGD CN(NC(=O)c1sccc1-n1cnnn1)C(N)=O 1116451190 RIFAGVBJTMNDJF-UHFFFAOYSA-N 267.274 -0.621 50 20 CBGD Cn1nncc1C(=O)NNc1ncnc2[nH]cnc12 1116915914 OSAGVQASDVRRGT-UHFFFAOYSA-N 259.233 -0.762 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)c1cc2n(n1)CCO2 1117709335 HJJOXEAETANRIP-UHFFFAOYSA-N 293.205 -0.218 50 20 CBGD CCOCCNC(=O)NNC(=O)C1CCOCC1 1119289522 OSKRHTYIFRYHKV-UHFFFAOYSA-N 259.306 -0.220 50 20 CBGD CN1C(=O)CCC[C@H]1C(=O)NNc1ccn(C)n1 1120071239 HJHYJXRECYORKQ-QMMMGPOBSA-N 251.290 -0.126 50 20 CBGD Cn1cc([C@@H]2C[C@H]2C(=O)NNc2cnnn2C)cn1 1183572786 ZENFNKKIIOOFME-DTWKUNHWSA-N 261.289 -0.205 50 20 CBGD C[C@H]1C[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)CCC1=O 1319601472 OEUVHLABMDKEST-UWVGGRQHSA-N 295.339 -0.239 50 20 CBGD O=C(CO)NNC(=O)c1cc(N2CCNC2=O)ccc1F 1320076274 FVUYLYFNTGCBLV-UHFFFAOYSA-N 296.258 -0.891 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ncn(C)n1 1326294343 AXOVXIUVVIDGHH-XHNCKOQMSA-N 296.331 -0.369 50 20 CBGD Cn1cc(C(=O)C(=O)NNC(=S)NCC2CCC2)cn1 1347818836 PRFUTVGITPPACN-UHFFFAOYSA-N 295.368 -0.102 50 20 CBGD Cc1ccc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 1348087148 WJLRGKGRNSOOPY-JTQLQIEISA-N 291.311 -0.501 50 20 CBGD CC1(C)CNC[C@H]1C(=O)NNC(=O)N1CCOCC1 1576473039 MDFMFUDZWSLUJB-VIFPVBQESA-N 270.333 -0.695 50 20 CBGD COc1cccc(C[C@H](N)C(=O)NN(C)[C@H](C)CO)c1 1579273941 CISBGRVUFNZGFO-MFKMUULPSA-N 281.356 -0.091 50 20 CBGD Cc1[nH]c(C=O)cc1C(=O)NN(C)C(=O)N1CCNCC1 1579513601 RKCRTLDMCSPAKS-UHFFFAOYSA-N 293.327 -0.263 50 20 CBGD Cn1c(NNC(=O)[C@H]2C[C@H]2N)nc2ccccc2c1=O 1579948455 ONVSUTHXKJFUMK-DTWKUNHWSA-N 273.296 -0.276 50 20 CBGD O=C(NNc1nc[nH]n1)c1ccc(-c2nn[nH]n2)[nH]1 1593167534 SZJRLQADLRAPEW-UHFFFAOYSA-N 260.221 -0.930 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1 1593457741 YICICTXSZUAQOI-FNCVBFRFSA-N 260.290 -0.792 50 20 CBGD O=C(O)Cc1ccccc1NC(=O)NNC(=O)CCO 1595137135 XWUKULSBEPJPQK-UHFFFAOYSA-N 281.268 -0.151 50 20 CBGD CC[C@@](COC)(NCC(=O)NNC(=O)C(C)C)C(=O)O 1595195146 POJQVCGVHPBGCH-LBPRGKRZSA-N 289.332 -0.741 50 20 CBGD CN(C(=O)c1cccc(B(O)O)c1)C(C)(C)CC(=O)O 1605981775 BPZPNZLDJJGFFG-UHFFFAOYSA-N 279.101 -0.308 50 20 CBGD NCc1ccc(CNC(=O)NNC(=O)C(=O)O)cc1 1610644986 KKTNDOQKNRVJIO-UHFFFAOYSA-N 266.257 -0.940 50 20 CBGD C[C@@H](O)CN(C)CC(=O)NNC(=O)c1cccs1 51822129 IFIJOZQJUGRHIB-MRVPVSSYSA-N 271.342 -0.178 50 20 CBGD CC(C)N(C)CCNC(=O)NNC(=O)c1cnn(C)c1 117965520 ZQJVAGJKUTZPFJ-UHFFFAOYSA-N 282.348 -0.296 50 20 CBGD O=C(NCCCN1CCOCC1)NNc1ncccn1 123795767 SGWODVYARJGDQM-UHFFFAOYSA-N 280.332 -0.175 50 20 CBGD Cn1cccc1C(=O)NNS(=O)(=O)C[C@H]1CCCO1 171806344 VTRICVJKRMVRRU-SECBINFHSA-N 287.341 -0.232 50 20 CBGD COC[C@@H](CO)NC(=O)NNC(=O)c1ccccc1C 279562065 FHTRDSPKDCGLGQ-SNVBAGLBSA-N 281.312 -0.054 50 20 CBGD C[C@@H](O)CN(CCO)S(=O)(=O)CBr 379367992 NFNVIIPWLBEDEH-ZCFIWIBFSA-N 276.152 -0.656 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@H]1CCCN(O)C1=O 491081575 HBQBLYICSWDGKO-FLOXNTQESA-N 253.258 -0.073 50 20 CBGD COC(=O)NNS(=O)(=O)c1ccc(CC(=O)O)cc1 493076593 ZMLCWMKEBIHTSV-UHFFFAOYSA-N 288.281 -0.137 50 20 CBGD C[C@H]1CN(C)C[C@@H]1C(=O)Nc1cccc(B(O)O)c1 584912923 XTSXGLVTIURFCY-CABZTGNLSA-N 262.118 -0.497 50 20 CBGD CC[C@H](CCO)CNC(=O)c1cc(B(O)O)ccc1F 584958238 NGTOVSOQHSHTTH-SECBINFHSA-N 283.108 -0.356 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC(O)(C(F)F)CC1 584973830 KBHRRSWCLDRTGF-UHFFFAOYSA-N 299.082 -0.401 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H](n2cccn2)C1 584992918 SZIYCJOZROWVLO-ZDUSSCGKSA-N 285.112 -0.350 50 20 CBGD O=C(N[C@H]1CCCSC1)c1cccc(B(O)O)c1 584993081 VVFDOPMTMAAINE-NSHDSACASA-N 265.143 -0.008 50 20 CBGD CCc1nc2n(n1)C[C@@H](NCc1ccc(B(O)O)o1)CC2 585021846 OVZZIYZSOPVKGX-VIFPVBQESA-N 290.132 -0.782 50 20 CBGD COc1ccccc1[C@@H](CO)NCc1ccc(B(O)O)o1 585023846 QNPBSFVZEFKYCJ-GFCCVEGCSA-N 291.112 -0.209 50 20 CBGD C[C@H](C[S@@](C)=O)NCc1cccc(B(O)O)c1 585035507 VHYUTMAGYCCZAE-VVVCHXIZSA-N 255.148 -0.777 50 20 CBGD COCC[C@H](COC)NCc1ccc(B(O)O)o1 585040970 LIRGTDGFTUAGKO-SECBINFHSA-N 257.095 -0.900 50 20 CBGD O=C(NCB(O)O)c1nc(N2CCCC2)ncc1Cl 585060870 LIVZNVFCFFZVAD-UHFFFAOYSA-N 284.512 -0.528 50 20 CBGD CCc1nc2ccccc2n1CC(=O)NCB(O)O 585061120 LMDMOWCNFMKAJQ-UHFFFAOYSA-N 261.090 -0.273 50 20 CBGD CC(C)(C)C(=O)NNC(=O)N[C@@H]1CCCS(=O)(=O)C1 758663603 QRYMCLKYZCRPRU-MRVPVSSYSA-N 291.373 -0.060 50 20 CBGD C[C@@H]1C[C@H](O)CN1CC(=O)NNC(=O)C(C)(C)C 761113069 MPJZMURTWAGTBK-BDAKNGLRSA-N 257.334 -0.365 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@]12CCOC2)C(=O)N1CCCC1 763758301 QWZVNOHNKPQMKU-ZANVPECISA-N 281.312 -0.817 50 20 CBGD CCCOc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1 764420205 AUKBBAIHFLYBGT-UHFFFAOYSA-N 295.295 -0.446 50 20 CBGD CNC(=O)NNC(=O)Cc1csc2nccn12 765069795 DCYTXCAWOFDODI-UHFFFAOYSA-N 253.287 -0.102 50 20 CBGD CC(C)(O)C(=O)NNC(=O)Cc1n[nH]c2c1CCCC2 768259040 DFQBRXXWDRBWOI-UHFFFAOYSA-N 280.328 -0.251 50 20 CBGD CC(=O)NNS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 799119952 GNEJGHZLHYHUIU-UHFFFAOYSA-N 291.716 -0.232 50 20 CBGD Cn1nnc2c(C(=O)NNC(=O)c3ccncc3)ccnc21 801102008 XGPVQCHMUHMMJK-UHFFFAOYSA-N 297.278 -0.167 50 20 CBGD C[C@H](NC(=O)c1ccoc1)C(=O)NNc1nc[nH]n1 816631629 YCVXDBJPJKDBAP-LURJTMIESA-N 264.245 -0.341 50 20 CBGD CCn1cc(C(=O)NNC(=O)[C@H]2CCCCO2)nn1 820942010 LUPKMTJKZQBXAL-SECBINFHSA-N 267.289 -0.372 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]21 823425606 YFHBVALEGHAHDQ-YIZRAAEISA-N 268.317 -0.359 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]21 824627737 VFHSUWQZNBWSRZ-AEJSXWLSSA-N 282.344 -0.016 50 20 CBGD CCCN1C[C@H](C(=O)NNC(=O)c2c[nH]nc2C)CC1=O 839666227 MQQCHBUUFOENQJ-SECBINFHSA-N 293.327 -0.262 50 20 CBGD Cc1onc(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1C#N 843980553 USOPCRNOXMHIRB-IONNQARKSA-N 292.295 -0.030 50 20 CBGD COCCN(C)NC(=O)[C@H](C)n1cnc(C#N)n1 848377769 APEUXTWGPAMLEL-QMMMGPOBSA-N 252.278 -0.680 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)[C@H]1CCCO1)C(=O)O 848583256 ARDJDULEEBHPJH-NKWVEPMBSA-N 259.262 -0.784 50 20 CBGD CCn1ccnc1C(=O)NNC(=O)N1CCN(C)CC1 854378799 CBLALKOKOBSSLO-UHFFFAOYSA-N 280.332 -0.495 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@@H]2CC(=O)N2)cc1F 854882850 PNIMGQSZEDWQGD-VIFPVBQESA-N 281.243 -0.056 50 20 CBGD CNC(=S)N(C)NC(=O)C(=O)N1CCC(C)CC1 854922746 PWHACBLFUGHOBZ-UHFFFAOYSA-N 272.374 -0.288 50 20 CBGD O=C(NCCOC1CCC1)NNC(=O)c1cn[nH]c1 858257083 HOHSYJXDWSEDPO-UHFFFAOYSA-N 267.289 -0.077 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc(F)ccc2O)N1 862457179 CMHFTPBGRCJPFS-MRVPVSSYSA-N 281.243 -0.429 50 20 CBGD C=CCNC(=S)NNC(=O)[C@]1(CC)CCNC1=O 864458261 ZDKOOIUPGPDQRV-LLVKDONJSA-N 270.358 -0.416 50 20 CBGD O=C1C[C@H](C(F)(F)F)[C@H](C(=O)NNC(=O)C2CC2)CN1 873750611 JAPZVDPEVYAPFP-RQJHMYQMSA-N 293.245 -0.142 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=S)Nc2ccccn2)C1 874957003 WZZZEBYGJGKIJC-SECBINFHSA-N 295.368 -0.270 50 20 CBGD COC(=O)COc1ccccc1C=NNC(=O)CO 901209883 BGBIAHGCJQEGMC-UHFFFAOYSA-N 266.253 -0.319 50 20 CBGD CN1CCO[C@H](C(=O)NCCCSC#N)C1=O 908032523 OYGFKBRJAGXSKJ-MRVPVSSYSA-N 257.315 -0.436 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H](C)Cc1cnn(C)c1 910149950 OHWBXVIKGKVQLA-ZJUUUORDSA-N 254.334 -0.058 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CC(c2cccnc2)=NO1 910151975 IASOWWOIPNWEAT-CABZTGNLSA-N 278.312 -0.082 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1sccc1-n1cnnn1 910169599 FDJMVZJESWMODY-ZETCQYMHSA-N 282.329 -0.319 50 20 CBGD CCNC(=O)NNC(=O)c1cnc2ccc(C)cn2c1=O 920858460 NBUIIXMNCYGVGV-UHFFFAOYSA-N 289.295 -0.033 50 20 CBGD CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 923314119 PIVRDLWUEHATOU-UONOGXRCSA-N 288.156 -0.325 50 20 CBGD C[C@@H]1CC(=O)CC[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 1119663452 PVPRSUUYQUOSTD-KOLCDFICSA-N 295.339 -0.239 50 20 CBGD O=C(Cc1cc(O)nc(O)n1)NN=C[C@@H]1CCOC1 1318835222 FATZISHHCMRYPQ-ZETCQYMHSA-N 266.257 -0.431 50 20 CBGD COC(=O)C(=O)NN=Cc1cc(C(=O)OC)n(C)c1 1320697842 VUMNVEJNPAKYBL-UHFFFAOYSA-N 267.241 -0.565 50 20 CBGD C[C@@H](O)c1ncc(C=NNC(=O)C(=O)NC2CC2)s1 1320995466 SJBWBMGCVKBUHU-ZCFIWIBFSA-N 282.325 -0.075 50 20 CBGD CCNC(=O)CCCC(=O)NNC(=O)Cc1cc[nH]n1 1321002456 KOINUDUQOGVOSP-UHFFFAOYSA-N 281.316 -0.594 50 20 CBGD CCCNC(=S)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1321414465 ADORFMJNMMDYQE-SSDOTTSWSA-N 279.387 -0.674 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)Cc1nnc2n1CCC2 1324254269 BCCKLFWLKRJWPG-UHFFFAOYSA-N 292.343 -0.787 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCn2ccnc2C1 1328106099 RATZSTMBASRSIL-SECBINFHSA-N 288.311 -0.062 50 20 CBGD CNC(=S)N(C)NC(=O)c1cc(C)c(C(N)=O)cn1 1328742588 CSWVUWYFPPYMGD-UHFFFAOYSA-N 281.341 -0.430 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@H]1CCCS(=O)(=O)C1 1329630960 MNFUZVIOKIAHLQ-QMMMGPOBSA-N 277.346 -0.450 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@@H](CO)CC1CCC1 1331313090 RQPHDXLFJQUZHO-SNVBAGLBSA-N 281.316 -0.095 50 20 CBGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)N(C)C)C1 1340819324 UWURMROBSHBNAQ-QMMMGPOBSA-N 256.306 -0.453 50 20 CBGD Cn1cc(C2=NO[C@@H](C(=O)NNC(=O)C3CCC3)C2)cn1 1357914115 SKSAWAIELHPLKD-LLVKDONJSA-N 291.311 -0.139 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H]1C[C@@H](C(=O)O)C1 1574578785 OWPJBTOSCVJAQJ-IAQIWYKVSA-N 267.245 -0.783 50 20 CBGD NCCNC(=O)NNC(=O)c1cccc2c1OCC2 1580312674 RRHMEXSSVFOKCO-UHFFFAOYSA-N 264.285 -0.476 50 20 CBGD O=C(NNc1ncccn1)Nc1cc2n(n1)CCNC2 1580742682 CBXOQMSFCOETFW-UHFFFAOYSA-N 274.288 -0.075 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H]1CCCN(CC(=O)O)C1=O 1588843920 SSTKSHAYEJHJEI-VIFPVBQESA-N 299.327 -0.497 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1 1594645261 QQCZLHHDPSNEOX-QCLAVDOMSA-N 299.327 -0.005 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@@H]1CC[C@H]1C(=O)O 1594711469 WGOYWEMIPMDXIA-NXEZZACHSA-N 277.280 -0.118 50 20 CBGD CCNC(=O)NNC(=O)c1sccc1-c1nn[nH]n1 1609229576 JGDFEAGIHZLKHS-UHFFFAOYSA-N 281.301 -0.108 50 20 CBGD CN(C)CC(=O)NN=Cc1cc(C(=O)O)nn1C 1776042027 DGHSWELGDJEJQX-UHFFFAOYSA-N 253.262 -0.870 50 20 CBGD CCCN1CCC[C@H]1C(=O)NNC(=O)C(=O)N1CCCC1 126194301 SAVIIWLDQPCFHS-NSHDSACASA-N 296.371 -0.369 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1F 126489022 CHPUBMLHXJIBGB-UHFFFAOYSA-N 296.302 -0.218 50 20 CBGD CCc1nnc(NC(=O)NNC(=O)CN(C)C)s1 155530577 SWPONSCILCZOSR-UHFFFAOYSA-N 272.334 -0.185 50 20 CBGD COCCN(CCO)S(=O)(=O)CBr 163929546 YCYDFFWQAPSVNV-UHFFFAOYSA-N 276.152 -0.391 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccccc2F)N1 264256236 CMPMCJDGXOWVBQ-SECBINFHSA-N 265.244 -0.135 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CSCN1C(=O)C(C)(C)C 264460288 PQENWSVUDGJDRL-SSDOTTSWSA-N 288.373 -0.106 50 20 CBGD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NN)C2=O)cc1 270228033 NYLANKRZYYDWDV-CYBMUJFWSA-N 276.296 -0.248 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@]1(C)CCCOC1 272694937 HHFASBCSDZBFGG-GFCCVEGCSA-N 271.317 -0.525 50 20 CBGD COc1ccnc(NNC(=O)N[C@H](C)C[S@@](C)=O)n1 273575079 YKYXUNTXXHFUIE-QOLSBQFWSA-N 287.345 -0.122 50 20 CBGD CCS(=O)(=O)NCC(=O)NNc1ncccc1F 286018240 PNXGHEDIYCOHJR-UHFFFAOYSA-N 276.293 -0.397 50 20 CBGD O=S(=O)(CCCCCl)N1C[C@@H](CO)[C@@H](O)C1 316482851 ZKXYGSXZBWCSFY-IUCAKERBSA-N 271.766 -0.380 50 20 CBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNC(=O)C1CCCC1 496870820 KAPVBHXWFSXYKK-HTRCEHHLSA-N 255.274 -0.179 50 20 CBGD CCCCNC(=O)COc1ccc(B(O)O)cc1 584909482 MCNFVUVXSCPQDS-UHFFFAOYSA-N 251.091 -0.339 50 20 CBGD CCC(O)(CC)CNC(=O)c1ccc(B(O)O)cc1 584952539 OYGKMYGWWODTKI-UHFFFAOYSA-N 265.118 -0.353 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 584954043 DRVFOYCCGNQCGE-IGQOVBAYSA-N 287.124 -0.384 50 20 CBGD O=C(N[C@H]1CC[C@H](CO)CC1)c1cc(B(O)O)ccc1F 584962357 DHJZITSDTONGEJ-HOMQSWHASA-N 295.119 -0.214 50 20 CBGD CC[C@@](C)(CO)CNC(=O)c1ccc(B(O)O)c(F)c1 584965175 OXXXNHMGRCAGKE-CYBMUJFWSA-N 283.108 -0.356 50 20 CBGD CC[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@@H]1O 584968536 YSLKIVVMZYYLHZ-CABZTGNLSA-N 263.102 -0.791 50 20 CBGD C[C@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)[C@H]1CO 584979623 ZPWGSDRAAAAAEO-UFBFGSQYSA-N 281.092 -0.652 50 20 CBGD CSCC[C@@H](CO)NCc1cccc(B(O)O)c1 585029594 HHPJBPJLZVNSNI-LBPRGKRZSA-N 269.175 -0.430 50 20 CBGD CN(C)C(=O)OCCNS(=O)(=O)CBr 689056015 WJRHZCMZVBOOMW-UHFFFAOYSA-N 289.151 -0.044 50 20 CBGD C=CCNC(=O)NNC(=O)CNC(=O)c1cccs1 726081506 CBUCVSSNTUMNCE-UHFFFAOYSA-N 282.325 -0.006 50 20 CBGD O=C(CN1CCCC1=O)NN=Cc1ccc(CO)o1 739413865 SKBQZIVKYDPLCU-UHFFFAOYSA-N 265.269 -0.156 50 20 CBGD COCCOCC(C)=NNC(=O)C(=O)NC1CC1 741162887 DNHZGYKYOHNALW-UHFFFAOYSA-N 257.290 -0.580 50 20 CBGD COc1ccnc(NNC(=O)N[C@@H]2CCCN(C)C2=O)n1 748664376 JANONKWLTJVKIP-MRVPVSSYSA-N 294.315 -0.268 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)C[C@H]1CCCO1 755288045 CCFQKIVCRXCMNO-SECBINFHSA-N 252.274 -0.331 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1CCN(C)C(=O)C1 764482172 TYHPEDNCIQWWHQ-MRVPVSSYSA-N 279.300 -0.203 50 20 CBGD COc1nc(N(C)C)sc1C=NNC(=O)C(N)=O 767034390 SWLFRAFBIWMZFY-UHFFFAOYSA-N 271.302 -0.847 50 20 CBGD COC(=O)c1ccc(C(C)=NNC(=O)C(N)=O)cc1 767746822 MJYGFLIJWSHKJU-UHFFFAOYSA-N 263.253 -0.201 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H]1CCCO1 770710177 GYCAVGBUOQGBBE-AEJSXWLSSA-N 271.317 -0.079 50 20 CBGD C[C@H]1C[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)CO1 784150065 YLCYTGZQFLUGDU-IUCAKERBSA-N 269.301 -0.819 50 20 CBGD NC(=O)CCCC(=O)NNC(=O)COc1ccccc1O 787335480 SANRNLQKSUIFPN-UHFFFAOYSA-N 295.295 -0.426 50 20 CBGD Cc1cc(C(=O)NNC(=O)C2(S(C)(=O)=O)CC2)n[nH]1 792284903 SPPFZKPAOSJLRR-UHFFFAOYSA-N 286.313 -0.944 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H]1CCC[C@@H]1C(=O)NC 794577430 QYXGDGZILKTJBT-GUBZILKMSA-N 284.360 -0.563 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 798306649 PTBAMDQQGWUCIB-MRVPVSSYSA-N 282.369 -0.321 50 20 CBGD CN1CC[C@@H](NS(=O)(=O)CBr)CC1=O 800132203 OMXBJFDGCFXJMY-ZCFIWIBFSA-N 285.163 -0.121 50 20 CBGD COc1ccnc(NNC(=O)NCC(=O)N(C)OC)n1 817792625 FWWRCTFLPMCWBL-UHFFFAOYSA-N 284.276 -0.869 50 20 CBGD CCN(CCO)NC(=O)C1=NN(CC(C)C)C(=O)CC1 823873674 FYUAUHJGHIFYMP-UHFFFAOYSA-N 284.360 -0.034 50 20 CBGD CCN(CCO)NC(=O)Cc1ccc(C(N)=O)cc1 823879576 PPFAUHMDJIKIBF-UHFFFAOYSA-N 265.313 -0.327 50 20 CBGD C[C@@H](CO)N(C)NC(=O)COc1ccc(CO)cc1 823924206 YJQXIWDIRCPMGG-JTQLQIEISA-N 268.313 -0.099 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CN1CCCC1 824016795 RYTATIUXSBIVTN-VHSXEESVSA-N 255.318 -0.345 50 20 CBGD CCCN(CC(=O)O)CC(=O)NNC(=O)C(C)(C)C 829473350 XCLNWGBUBQSLAW-UHFFFAOYSA-N 273.333 -0.024 50 20 CBGD COC(=O)c1ccc(NNC(=O)C[C@@H]2CCC(=O)N2)nc1 831292243 VRPSSKUPHDGFMB-VIFPVBQESA-N 292.295 -0.020 50 20 CBGD COc1ccnc(C=NNC(=O)N2CCOCC2)n1 842524207 AISSOBKHGSGYEL-UHFFFAOYSA-N 265.273 -0.139 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1cnn(C)c1 843642230 FGQQONYYOJXPSF-KOLCDFICSA-N 280.328 -0.075 50 20 CBGD CCOC(=O)/C(C#N)=C/N[C@H]1CCN(S(C)(=O)=O)C1 844269497 WNZAKTZXJRZXQB-PCYYEKQGSA-N 287.341 -0.420 50 20 CBGD O=S(=O)(CBr)N[C@H]1[C@@H]2CNC[C@@H]21 850588202 WXJNMTWHCQQSEV-FMCRUOTFSA-N 255.137 -0.524 50 20 CBGD CN1C(=O)CC[C@@H]1CC(=O)NNC(=O)c1cccn1C 854287698 KVAVBNWHXPDGEL-SECBINFHSA-N 278.312 -0.203 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ncc[nH]2)CC1 854381921 VAFMSJYMZRDWEL-UHFFFAOYSA-N 252.278 -0.989 50 20 CBGD CNC(=S)N(C)NC(=O)CCOCCCOC 854928899 QVIVEFQYFXLPAK-UHFFFAOYSA-N 263.363 -0.103 50 20 CBGD CC(C)[C@H](C(=O)NNC(=O)c1cc[nH]n1)N1CCCC1=O 855359388 PYGLRFQBBDYTNN-LLVKDONJSA-N 293.327 -0.182 50 20 CBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=O)c1cccc(F)n1 856427443 XPKLKSXBFGZSOZ-YLWLKBPMSA-N 282.231 -0.521 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCc2cnc(N)nc2C1 857924226 CUHRARLUAQKBBF-QMMMGPOBSA-N 292.343 -0.637 50 20 CBGD CC[C@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)OC 858471336 SYWWWMWCGDAMSQ-HTQZYQBOSA-N 272.305 -0.980 50 20 CBGD CNCCOCCNC(=O)NNc1ccc(C)nn1 861676579 HINOFGVQQQMMEB-UHFFFAOYSA-N 268.321 -0.353 50 20 CBGD O=C1CCCCC[C@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 862462917 UJVWJEHMWJWPBP-GXSJLCMTSA-N 295.339 -0.048 50 20 CBGD Cn1ncc2c1C[C@H](C(=O)NNC(=O)c1cn[nH]c1)CC2 862470250 LZOFYWUQLSHIOL-MRVPVSSYSA-N 288.311 -0.291 50 20 CBGD CC(=O)N1C[C@@H]2CN(CC(=O)NNC(=O)C(C)C)C[C@@H]2C1 880311901 HUTWPTHXFMDVFR-TXEJJXNPSA-N 296.371 -0.800 50 20 CBGD CN1CCC(NC(=S)NNC(=O)NC2CC2)CC1 920759450 MZFULPDHLFZWRM-UHFFFAOYSA-N 271.390 -0.079 50 20 CBGD CN1CC[C@@H]1CNC(=O)NNC(=O)Cc1cccnc1 925407258 JKTNWGFSZBHMCP-LLVKDONJSA-N 277.328 -0.341 50 20 CBGD C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 926024638 BPFIVWIIAZMXMI-IMSYWVGJSA-N 271.317 -0.223 50 20 CBGD Cc1ncc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)n1C 1118586164 MVYVCEZRXYKDOU-VIFPVBQESA-N 284.341 -0.387 50 20 CBGD Cn1ccnc(NNC(=O)c2cn(C(C)(C)C)nn2)c1=O 1255741491 OTENWEMLKMTDHN-UHFFFAOYSA-N 291.315 -0.116 50 20 CBGD NC(=O)C(=O)NN=Cc1ccc(N2CCOCC2)cc1 1317704735 YSTXMOMPHVGZPU-UHFFFAOYSA-N 276.296 -0.541 50 20 CBGD CN1CCC(NC(=O)NNC(=O)C(=O)N2CCCC2)CC1 1320950561 BLJKKIDHWNUKMC-UHFFFAOYSA-N 297.359 -0.967 50 20 CBGD O=C(CO)NNC(=O)C1CCN(CC(F)F)CC1 1323307420 NSNNUMCATJPJKG-UHFFFAOYSA-N 265.260 -0.897 50 20 CBGD NC(=O)NCCCCC(=O)NNc1cccnn1 1323745142 UCSJWUSDHKELPU-UHFFFAOYSA-N 252.278 -0.242 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H]1CCc2nnn(C)c2C1 1324295110 MXECSUXDNCMZCS-QMMMGPOBSA-N 296.400 -0.176 50 20 CBGD C=CCNC(=S)NNC(=O)c1c[nH]c(C)cc1=O 1325107755 LPTABLRIBAFAGV-UHFFFAOYSA-N 266.326 -0.022 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)N[C@]2(C(N)=O)CCOC2)cn1 1327126934 HXEPVURBXDIRGJ-MQSIBISMSA-N 289.295 -0.912 50 20 CBGD O=C(NNc1nc[nH]n1)c1ccc(N2CCCC2)nn1 1330424226 OKWSWRSDCKXPNE-UHFFFAOYSA-N 274.288 -0.048 50 20 CBGD C[C@@H](NNC(=O)CCn1cnnn1)C(F)(F)F 1333410214 REURWINMYVPHGD-RXMQYKEDSA-N 252.200 -0.365 50 20 CBGD COC(=O)N(C)NC(=O)CCc1c(C)nc(O)nc1O 1341209828 HIVLSNXLABVDNJ-UHFFFAOYSA-N 284.272 -0.142 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccc(F)cn1 1343895913 NLCUINNUTBTFGP-UHFFFAOYSA-N 256.193 -0.454 50 20 CBGD CC(C)[C@H]1C[C@H](C(=O)NNC(=O)C(=O)NC2CC2)CCO1 1351934916 MQBIISRXGCMWFY-MWLCHTKSSA-N 297.355 -0.136 50 20 CBGD CO[C@@H]1CN[C@@](C)(C(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)C1 1573960960 OMIWWAWOHUAPHC-AYDOGRCQSA-N 297.355 -0.532 50 20 CBGD C#CCCCC(=O)NNC(=O)c1cn(CCCN)nn1 1574545058 MNNVLSTWOFCRAL-UHFFFAOYSA-N 278.316 -0.809 50 20 CBGD Cn1cc(C(=O)NNC(=O)CON)c2ccccc21 1579953141 KWAOZZDBZIRVBS-UHFFFAOYSA-N 262.269 -0.170 50 20 CBGD C[C@H](CC(=O)O)NC(=O)NNC(=O)Cc1ccncc1 1589002221 SQXZHGNEGHDBEC-MRVPVSSYSA-N 280.284 -0.182 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CC=C(C(=O)O)C1 1594645960 VKBAPEDXLDTDCG-FXBDTBDDSA-N 297.311 -0.085 50 20 CBGD CN(C)Cc1cccc(CNC(=O)NNC(=O)C(=O)O)c1 1598253058 CQYGJXADHOOJGG-UHFFFAOYSA-N 294.311 -0.337 50 20 CBGD O=C(NNC(=O)C1CC1)Nc1ccc(C(=O)O)nn1 1601553318 BYUUMJGVWKAMRJ-UHFFFAOYSA-N 265.229 -0.263 50 20 CBGD O=C(NNC(=O)c1cc[nH]n1)Nc1ccc(C(=O)O)nc1 1601555729 MVQAPRPKGLAHNP-UHFFFAOYSA-N 290.239 -0.031 50 20 CBGD CCC(Cn1cncn1)=NNC(=O)NCC(=O)O 1605063971 WCCIPILPNMUNPH-UHFFFAOYSA-N 254.250 -0.572 50 20 CBGD Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NN(C)C[C@H](C)O 1605453217 XBJWWHSRBIDMER-LURJTMIESA-N 279.304 -0.539 50 20 CBGD CO[C@H](CNC(=O)NNC(=O)C(=O)O)c1ccccc1 1610226240 CWKGZMITEQEYGK-SECBINFHSA-N 281.268 -0.211 50 20 CBGD Cn1cc(C(=O)NN=Cc2cc(C(=O)O)cn2C)nn1 1776092539 RCBPVKYKJTWDNF-UHFFFAOYSA-N 276.256 -0.384 50 20 CBGD COCC(=O)NNC(=O)c1n[nH]c2c1CCCC2 26707127 DTRBQXQBOZXDQZ-UHFFFAOYSA-N 252.274 -0.304 50 20 CBGD CNC(=O)NNC(=O)c1[nH]c(C)c(C(=O)OC)c1C 48949327 KJFUNRLAPWOUFB-UHFFFAOYSA-N 268.273 -0.008 50 20 CBGD O=C(CCCCc1c[nH]nn1)NNC(=O)[C@@H]1CCCO1 139163620 AXROZZFKIGIROX-JTQLQIEISA-N 281.316 -0.156 50 20 CBGD Cc1cc(C(=O)NNC(=O)C2(O)CCCC2)[nH]n1 151150683 PUPYGMCRQNERRL-UHFFFAOYSA-N 252.274 -0.216 50 20 CBGD O=C(NCCC1CCC1)NNC(=O)C(=O)NC1CC1 152034388 YVOKPTUUBBMZAL-UHFFFAOYSA-N 268.317 -0.214 50 20 CBGD CS[C@H](C)CNC(=O)NNC(=O)C(=O)NC1CC1 269903052 NHSRTJZKOAIWIG-ZCFIWIBFSA-N 274.346 -0.653 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 289098991 MRGHWLUODHXHCE-JGVFFNPUSA-N 271.317 -0.397 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CC1(Cl)Cl 290850938 AMGBUZALASFQKX-YFKPBYRVSA-N 282.127 -0.148 50 20 CBGD CC(=O)C1(C(=O)NNC(=O)c2cc(C)n[nH]2)CC1 294607452 PAOUYEMZHUITFV-UHFFFAOYSA-N 250.258 -0.152 50 20 CBGD CC(=O)NNC(=O)c1cccnc1N1CCOCC1 298159827 MDHMVYIFSQOGMD-UHFFFAOYSA-N 264.285 -0.301 50 20 CBGD C#CCNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O 490699246 PMGKMBCKAABTAE-UHFFFAOYSA-N 278.224 -0.122 50 20 CBGD COC(=O)NNS(=O)(=O)CC(C)(C)C(=O)OC 496854830 OGXKVMULKNIALY-UHFFFAOYSA-N 268.291 -0.624 50 20 CBGD CC[C@@H](C)[C@H](O)CNC(=O)c1ccc(B(O)O)cc1 584961146 ZNDZBEXLZKAMHR-BXKDBHETSA-N 265.118 -0.497 50 20 CBGD O=C(N[C@H]1CCC[C@@H]1CCO)c1ccc(B(O)O)cc1 584974359 NRBCOJZYFCKFHQ-MFKMUULPSA-N 277.129 -0.353 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@]1(C)CO 585009116 PMAGDLUQEPLSHH-YMTOWFKASA-N 295.119 -0.404 50 20 CBGD CCN1CCC[C@H]1CNCc1ccc(B(O)O)cc1 585016732 XQXBPWKWOMRCGY-AWEZNQCLSA-N 262.162 -0.060 50 20 CBGD C[C@@H](NCc1ccccc1B(O)O)[C@@H](C)n1cncn1 585019551 CRFLRZONQFGMTA-GHMZBOCLSA-N 274.133 -0.303 50 20 CBGD C[C@@H](C[S@](C)=O)NCc1ccc(B(O)O)cc1 585034654 LAVGDHRCNHTHLG-XYZCENFISA-N 255.148 -0.777 50 20 CBGD OCC1(CCNCc2ccc(B(O)O)o2)CCC1 585046786 YGUWKFUAODZHHF-UHFFFAOYSA-N 253.107 -0.398 50 20 CBGD Cc1c(S(=O)(=O)NCB(O)O)c2ccccc2n1C 585059161 BCKIUGUKQSJFHC-UHFFFAOYSA-N 282.130 -0.223 50 20 CBGD Cc1cc(C)c(S(=O)(=O)NCB(O)O)cc1[N+](=O)[O-] 585059222 FGGYRMAPMWNAEI-UHFFFAOYSA-N 288.090 -0.498 50 20 CBGD COCCCNC(=S)N(C)NC(=O)C1=COCCO1 726075830 HJSFRSMXESTPDJ-UHFFFAOYSA-N 289.357 -0.251 50 20 CBGD CC(=O)NNC(=O)CS(=O)(=O)NC1CCC(C)CC1 728064980 JIJFXQLAZXHQDP-UHFFFAOYSA-N 291.373 -0.348 50 20 CBGD CCOC(=O)CSCC(=O)NNC(=O)C1CC1 742447546 SOWJBURRKHPQKL-UHFFFAOYSA-N 260.315 -0.160 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=O)COc1ccc(C)cc1 754972698 BXBUPKLIXRMWJU-CQSZACIVSA-N 296.323 -0.081 50 20 CBGD COC(=O)c1ccc(NC(=O)NNC(=O)CO)cc1F 757696847 VYYCFAXYABKDSC-UHFFFAOYSA-N 285.231 -0.243 50 20 CBGD CCNC(=O)N(C)NC(=O)COC[C@H]1CCCO1 770548309 GIAZOFJGFTUFEQ-SECBINFHSA-N 259.306 -0.126 50 20 CBGD COc1ccc(C=NNC(=O)CO)c(OCC(=O)O)c1 776780894 PZCKITSQMDHHOL-UHFFFAOYSA-N 282.252 -0.399 50 20 CBGD CN(NC(=O)CCC(=O)NC1CCCC1)C(N)=O 778418024 GORAUTZWSMMPAU-UHFFFAOYSA-N 256.306 -0.133 50 20 CBGD COc1ccccc1C(=O)NNC(=O)c1cnn(C)n1 786128692 FASPWDCFSOUUST-UHFFFAOYSA-N 275.268 -0.102 50 20 CBGD COC(=O)c1ccc(NNC(=O)c2cnn(C)n2)nc1 786465762 NHCMKWPDLAPNNS-UHFFFAOYSA-N 276.256 -0.246 50 20 CBGD CO[C@@H](C)CS(=O)(=O)NNC(=O)NCC1CC1 800833626 CMHPCKBOMKWZLT-ZETCQYMHSA-N 265.335 -0.435 50 20 CBGD CCc1nocc1C=NNC(=O)C(=O)NC1CC1 814777431 BERBYCFFEMSSIH-UHFFFAOYSA-N 250.258 -0.034 50 20 CBGD O=C(NN=C1COCCOC1)C(=O)Nc1ccccn1 814869526 MOCWBHPMCFWUMK-UHFFFAOYSA-N 278.268 -0.461 50 20 CBGD Cc1cc(C#N)cnc1C(=O)NNC(=O)Cc1cc[nH]n1 815475267 DJSVLQKWODUNJT-UHFFFAOYSA-N 284.279 -0.012 50 20 CBGD C[C@@H](O)CN(C)NC(=O)Cn1nnc2c1CCCC2 821216981 CCVSQGMWRVTWJM-SECBINFHSA-N 267.333 -0.499 50 20 CBGD Cc1cc(C(=O)NNC(=O)CN2CCCC2)n[nH]1 821406125 XDDPHYRXYPBYFW-UHFFFAOYSA-N 251.290 -0.425 50 20 CBGD CN1C(=O)CC[C@H](NC(=O)NNC(=O)C2CCCC2)C1=O 823502974 KYUKNLFMNCMSSJ-VIFPVBQESA-N 296.327 -0.346 50 20 CBGD CCN(CCO)NC(=O)c1ccnc(-n2cncn2)c1 823852965 VGLOKUBRECIDGP-UHFFFAOYSA-N 276.300 -0.379 50 20 CBGD CCNC(=O)N(C)NC(=O)Cc1nnn(C(C)(C)C)n1 831858102 LJTSLGYOBZSTRN-UHFFFAOYSA-N 283.336 -0.337 50 20 CBGD O=C(COCc1ccccc1)NNC(=O)[C@]1(O)CCOC1 840358570 XSUZCKLFUDLQLG-AWEZNQCLSA-N 294.307 -0.498 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccnc1O 843972098 FTKYEGNZXOZYAS-SFYZADRCSA-N 265.269 -0.027 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc(N(C)C)cn1 843977096 FSCYONRUKAUVKM-RKDXNWHRSA-N 293.327 -0.271 50 20 CBGD O=S(=O)(CCl)NCC1(OCCO)CCOCC1 849393292 SVRCZNNJWCXHGX-UHFFFAOYSA-N 287.765 -0.340 50 20 CBGD O=S(=O)(CCl)N1CCN([C@H]2CCOC2)CC1 849444992 OPYJBEWIGQUNAS-VIFPVBQESA-N 268.766 -0.081 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@]1(C)CO 852701892 GQMAOPGGWQFUKS-TVQRCGJNSA-N 269.345 -0.506 50 20 CBGD C=C[C@H](O)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 854516045 GHLZSOCWHMLMTR-IUCAKERBSA-N 262.331 -0.974 50 20 CBGD CCOCCO[C@@H](C)C(=O)NNC(=O)c1cc[nH]n1 855359040 CSJYUGBPACLYEK-QMMMGPOBSA-N 270.289 -0.388 50 20 CBGD C[C@@H]1SCC[C@@H]1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858577547 KXOMQHLINGXDLI-BIIVOSGPSA-N 286.357 -0.511 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccnn1 862095338 XMJIJBDYCPGBFB-JGVFFNPUSA-N 250.258 -0.337 50 20 CBGD O=C(Cc1cccc(F)c1)NNC(=O)[C@@H]1CCC(=O)N1 862448918 JBIBEILOSBHIHP-JTQLQIEISA-N 279.271 -0.206 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCN1C1CCCC1 862469116 ZABLMNPFKFHDDM-SNVBAGLBSA-N 269.345 -0.078 50 20 CBGD COC(=O)c1cc(C=NNC(=O)[C@H]2CCC(=O)N2)c[nH]1 863149170 SXVYQMAGJUFZTJ-MRVPVSSYSA-N 278.268 -0.470 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CC[C@H]1CCCCO1 863461367 FKMUMYQYCFUNLM-SECBINFHSA-N 292.357 -0.472 50 20 CBGD C#C[C@@H](NC(=O)c1cccc(B(O)O)c1)[C@H]1CCCO1 863878320 CXAJMUWGQRFKLN-CHWSQXEVSA-N 273.097 -0.723 50 20 CBGD N#Cc1c(N2CC[C@H](B(O)O)C2)cccc1S(N)(=O)=O 864233421 JIVMDLMOYWEUBW-QMMMGPOBSA-N 295.129 -0.741 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cnc2nccnc2c1 910161650 XVXKOLKWZRNOSU-QMMMGPOBSA-N 261.285 -0.018 50 20 CBGD Cc1nc(SCC(=O)NN(C)C[C@H](C)O)n[nH]1 910163015 JSGJZGFBUFLOAQ-LURJTMIESA-N 259.335 -0.451 50 20 CBGD N#CC1(C(=O)NNC(=O)C(=O)N2CCCC2)CCOCC1 1116019019 VXIANHXUSTWKIU-UHFFFAOYSA-N 294.311 -0.923 50 20 CBGD Nc1ncc(C=NNC(=O)CN2CCCC2=O)cn1 1116522562 PXABZPDSCIRPFP-UHFFFAOYSA-N 262.273 -0.869 50 20 CBGD CC(C)[C@]1(CO)CCN(CC(=O)NNC(=O)C2CC2)C1 1117626867 UFSJCIQYPGCPBZ-CQSZACIVSA-N 283.372 -0.116 50 20 CBGD CN(C)C(=O)N1CCC(C(=O)NNc2cnnn2C)CC1 1117724082 SRROTGYYHFBUSG-UHFFFAOYSA-N 295.347 -0.348 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)C[C@H]2CC(=O)N2)n1 1118752779 PCUWWXLEWRXRIH-SCSAIBSYSA-N 270.680 -0.566 50 20 CBGD COCCOCC(=O)NNC(=O)CCc1cncn1C 1118980258 ATJLJEZLQKHUDT-UHFFFAOYSA-N 284.316 -0.837 50 20 CBGD Cc1ncc(CO)c(C=NNC(=O)CCO)c1O 1319069373 WUYFYTINWCMMOB-UHFFFAOYSA-N 253.258 -0.580 50 20 CBGD COCCOCCC(=O)NNc1ccc(C(N)=O)nn1 1319142719 OJLLPCWCEKNILM-UHFFFAOYSA-N 283.288 -0.928 50 20 CBGD CN(NC(=O)CCc1nc2cccnc2[nH]1)C(N)=O 1319891262 GGOHMPWUMSEHCG-UHFFFAOYSA-N 262.273 -0.068 50 20 CBGD CSc1cccc(NC(=O)C(=O)NNC(=O)CCO)c1 1320357887 IYUIRHFFISMSDA-UHFFFAOYSA-N 297.336 -0.123 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cccc2c1OCCC2=O 1320510483 NGCAXCVNFRWNKF-UHFFFAOYSA-N 291.263 -0.242 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cocn1 1322028377 GRAXTDGQBTVWNP-UHFFFAOYSA-N 268.273 -0.260 50 20 CBGD CN1CCC(NC(=S)NNC(=O)N(C)C)CC1 1322100122 VBQHGXAADGTPJZ-UHFFFAOYSA-N 259.379 -0.269 50 20 CBGD CC(C)C(=O)NNC(=O)[C@@H]1CCCS(=O)(=O)C1 1326418386 QJNHNTCLQVUCQC-MRVPVSSYSA-N 262.331 -0.385 50 20 CBGD O=C(NNC(=O)N1CCO[C@@H](CF)C1)c1cn[nH]c1 1328731137 HRWZQDRQDUMWLW-QMMMGPOBSA-N 271.252 -0.566 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1cnn(CCF)c1 1329015178 VZMHNSKTNPJCFJ-UHFFFAOYSA-N 287.251 -0.432 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CCc3cccnc32)N1 1329078963 RUSACDKTFMIGJI-NXEZZACHSA-N 288.307 -0.463 50 20 CBGD CCOCCn1cc(C(=O)NNC(=O)NC)cn1 1331462215 XTTXYGOOBQAAJA-UHFFFAOYSA-N 255.278 -0.507 50 20 CBGD CCNC(=O)NNC(=O)c1ccn(CCN(C)C)n1 1332879625 SLHWQINTKBBMOE-UHFFFAOYSA-N 268.321 -0.591 50 20 CBGD COCCN(C)NC(=O)Cn1ccc(C(=O)OC)n1 1333488265 ZPQOQFGWUIJYKE-UHFFFAOYSA-N 270.289 -0.721 50 20 CBGD CNC(=O)[C@H](C)NC(=O)NNC(=O)c1cccc(F)n1 1333623262 XXOUWXOOQPPCDQ-LURJTMIESA-N 283.263 -0.701 50 20 CBGD C[C@@]1(C(=O)NNC(=O)C2CCOCC2)CCNC1=O 1339912756 GMRKFEJMDPJSBA-GFCCVEGCSA-N 269.301 -0.913 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1NCCOc2ccccc21 1578413291 JWZKKRVVBJOFQU-ZDUSSCGKSA-N 292.339 -0.581 50 20 CBGD CN(NC(=O)c1ccc(F)c(-c2nn[nH]n2)c1)C(N)=O 1591154423 PFMDZSYRGYYEBK-UHFFFAOYSA-N 279.235 -0.339 50 20 CBGD O=C(O)CCCCC(=O)NNC(=O)[C@@H]1COCCO1 1595032732 PDMMQEMIOGKGBU-QMMMGPOBSA-N 274.273 -0.806 50 20 CBGD COC(=O)N(C)NC(=O)Nc1c(C(=O)O)cnn1C 1598875302 AFDNIOYZVDZGAV-UHFFFAOYSA-N 271.233 -0.147 50 20 CBGD COc1ccccc1CNC(=O)NNC(=O)C(=O)O 1599711866 NTPOPHONZQZCLN-UHFFFAOYSA-N 267.241 -0.390 50 20 CBGD O=C(O)[C@@H]1C[C@@H]1CNS(=O)(=O)CBr 1602193729 YEDRJWSVECVYKC-RFZPGFLSSA-N 272.120 -0.021 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)C(=O)O)c1nccs1 1609746169 CFPXNCCZJUMIOX-YFKPBYRVSA-N 272.286 -0.338 50 20 CBGD CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NNC(=O)C(=O)O 1609813405 CZSLUTCXJVYBFO-XVMARJQXSA-N 271.273 -0.785 50 20 CBGD Cc1ncsc1CNC(=O)NNC(=O)C(=O)O 1610566195 PFQQNGPACQTOIT-UHFFFAOYSA-N 258.259 -0.633 50 20 CBGD CC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccccn1 48442395 YAVAAUXQMDCSHT-NSHDSACASA-N 276.296 -0.147 50 20 CBGD Cn1cc(S(=O)(=O)NNC(=O)c2ccccc2O)cn1 48653186 QFVBACGWLRLMLC-UHFFFAOYSA-N 296.308 -0.251 50 20 CBGD CCNc1ncc(C(=O)NNC(=O)CN(C)C)s1 128575880 AQOGGKMCHSZMBP-UHFFFAOYSA-N 271.346 -0.103 50 20 CBGD CCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)N(C)C 263912916 WEUCGGAEMUDVAO-MRVPVSSYSA-N 288.373 -0.010 50 20 CBGD COCC(=O)N[C@H](C(=O)NNC(=O)NC(C)C)C(C)C 265876379 JCLHYGJYXRAKGH-JTQLQIEISA-N 288.348 -0.488 50 20 CBGD CNC(=O)NNC(=O)[C@@](C)(O)Cc1ccccc1 266893086 WVNLSCWALAWSQO-LBPRGKRZSA-N 251.286 -0.060 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2CN(C)CCO2)n1 266937232 OZRGHRSYGQEMIQ-VIFPVBQESA-N 281.316 -0.433 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CCCC(=O)N2)n1 270199922 FSAOKGSYDYFYQH-SNVBAGLBSA-N 293.327 -0.684 50 20 CBGD CC[C@H](C(=O)NNC(=O)c1cc(C)n[nH]1)C(=O)OC 276924361 ZFYKDDUFXHRFRK-SSDOTTSWSA-N 268.273 -0.322 50 20 CBGD CCOc1ccccc1OCC(=O)NNC(=O)CNC 281552522 YZYVUPZNHYDDQC-UHFFFAOYSA-N 281.312 -0.169 50 20 CBGD CCc1cc(C(=O)NNC(=O)N2CCN(C)CC2)[nH]n1 282908416 MLHCIJURFJCCJA-UHFFFAOYSA-N 280.332 -0.426 50 20 CBGD O=C(NNC(=O)C1CCC1)c1cnc2[nH]c(=O)[nH]c2c1 289083252 BANXWMKDDNXXSY-UHFFFAOYSA-N 275.268 -0.188 50 20 CBGD NC(=O)[C@H]1CC[C@@H](C(=O)NCC(Cl)Cl)O1 294368234 LIHZEZZPWWBPCB-UHNVWZDZSA-N 255.101 -0.061 50 20 CBGD CN(NC(=O)NCCNS(C)(=O)=O)c1ccccc1 299047880 OELHJVQPBPOEJY-UHFFFAOYSA-N 286.357 -0.114 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)CC[S@@]1=O 584948328 BKMYUHZHSXSQIN-SQFXPLBJSA-N 299.132 -0.902 50 20 CBGD C=C(C)COCCNC(=O)c1ccc(B(O)O)cc1 584961043 WRDGAADRNMZIHA-UHFFFAOYSA-N 263.102 -0.311 50 20 CBGD CC[C@](C)(CO)CNC(=O)c1ccc(B(O)O)c(F)c1 584965176 OXXXNHMGRCAGKE-ZDUSSCGKSA-N 283.108 -0.356 50 20 CBGD N#C[C@@]1(F)CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584979050 JJKJKLHHBZWBTN-LBPRGKRZSA-N 280.039 -0.417 50 20 CBGD O=C(N[C@@H]1CCSC1)c1ccc(B(O)O)cc1 584985162 HKMYITQXCCJGIS-SNVBAGLBSA-N 251.116 -0.398 50 20 CBGD C[C@H]1CN(C)CC[C@H]1NCc1cccc(B(O)O)c1 585022178 KJNYCMXOSFEXMF-SMDDNHRTSA-N 262.162 -0.204 50 20 CBGD CC(C)CNC(=O)CNCc1ccccc1B(O)O 585022391 YJMRODXVFIBSJY-UHFFFAOYSA-N 264.134 -0.772 50 20 CBGD CC(C)N1C[C@@H](NCc2ccc(B(O)O)o2)CC1=O 585027437 AAPZFDRPXWOAKO-VIFPVBQESA-N 266.106 -0.942 50 20 CBGD CC(C)N1CCC(O)(CNCc2ccc(B(O)O)o2)CC1 585030798 IWKYLGQPSSETRI-UHFFFAOYSA-N 296.176 -0.716 50 20 CBGD C[C@@H](CCN1CCOCC1)NCc1ccc(B(O)O)o1 585032845 NWONCWDFPYPFBV-NSHDSACASA-N 282.149 -0.840 50 20 CBGD CNC(=O)[C@H](CCSC)NCc1cccc(B(O)O)c1 585040961 KZJUJFNCEMZSDK-LBPRGKRZSA-N 296.201 -0.676 50 20 CBGD COc1nccc(CNCc2ccc(B(O)O)o2)n1 585042914 GBUVZTYARUOLQM-UHFFFAOYSA-N 263.062 -0.952 50 20 CBGD CN1CCC[C@@H]1CCNCc1cccc(B(O)O)c1 585046866 CHVKSXORQAFLPZ-CQSZACIVSA-N 262.162 -0.060 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc(Cl)nc1 585054011 GAJYAAZLIGULBM-UHFFFAOYSA-N 250.472 -0.975 50 20 CBGD O=C(CCNC(=O)C1CCCCC1)NCB(O)O 585062145 QPKLHDVHUCSGJR-UHFFFAOYSA-N 256.111 -0.799 50 20 CBGD O=C1CN(CC(=O)NNC(=O)c2ccccc2)CCCN1 726792429 NXBFAPBZIAPIHK-UHFFFAOYSA-N 290.323 -0.731 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)c1c[nH]nc1C 732087297 ZDLDRTAVLSHSMU-ZETCQYMHSA-N 267.289 -0.606 50 20 CBGD O=C1CC(C(=O)NNC(=O)c2cc(Cl)ccc2O)=NN1 732263282 MWUUYNVTUVSOEC-UHFFFAOYSA-N 296.670 -0.318 50 20 CBGD CCn1cc(C=NNC(=O)CN2CCCC2=O)cn1 732528355 ICAPKLXIGUFLOX-UHFFFAOYSA-N 263.301 -0.025 50 20 CBGD CCN(CC(=O)NC)[C@H](C)C(=O)NNC(=O)CC(C)C 741787037 LNHHXSMKQBUJNA-SNVBAGLBSA-N 286.376 -0.364 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCO[C@H](C#N)C1 744397955 GSAQOKQABRPUNN-SECBINFHSA-N 268.317 -0.596 50 20 CBGD O=C(CN1CC[C@H]([C@@H]2CCOC2)C1)NNC(=O)C1CC1 750263272 TVQPBQYVIMBHMI-NWDGAFQWSA-N 281.356 -0.098 50 20 CBGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)N(C)C 759767948 QMASNHDBTPHWNJ-UHFFFAOYSA-N 268.273 -0.835 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)Cc2cncn2C)n1 776322145 WEHQFKUMBUFOEJ-UHFFFAOYSA-N 290.327 -0.376 50 20 CBGD COC(=O)CNC(=O)NN=Cc1ccc(OC)nc1 780242355 CIVUCHYTXRQMQW-UHFFFAOYSA-N 266.257 -0.104 50 20 CBGD CCS(=O)(=O)NCC(=O)NNc1ncncc1Cl 781830243 MWGHVTSQJRKZAM-UHFFFAOYSA-N 293.736 -0.488 50 20 CBGD O=C(CC1OCCO1)NNC(=O)c1ccccn1 788619051 IMGLDDHMSVMMRY-UHFFFAOYSA-N 251.242 -0.394 50 20 CBGD CSC1(C(=O)NNC(=O)C(=O)NC(C)C)CC1 789732239 JHQHOVURFROMKG-UHFFFAOYSA-N 259.331 -0.446 50 20 CBGD COC(=O)CNC(=O)NN=C(C)C(C)(C)n1cncn1 794532008 YLMGOUPSZQOWRX-UHFFFAOYSA-N 282.304 -0.139 50 20 CBGD CC(C)[C@@H](NCC(=O)NNC(=O)C(C)(C)C)C(=O)O 820041336 BUIUPVJNFPCQTJ-SECBINFHSA-N 273.333 -0.121 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1 826971218 IUGNUZPCFDTKNV-IUCAKERBSA-N 299.327 -0.451 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H]([C@H](C)N)C1 843365171 DNFTXOKJRGFNDU-GUBZILKMSA-N 256.350 -0.399 50 20 CBGD CC(C)[C@H](N)C(=O)NCC(=O)NNc1ncccn1 843382936 UCSQYPYQHFFCRW-VIFPVBQESA-N 266.305 -0.981 50 20 CBGD COCCOCCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843646816 KCGYOAZWYKENHO-ZJUUUORDSA-N 274.317 -0.388 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)COCc1ccnn1C 843653712 FNQCIOMNFWTGFS-ONGXEEELSA-N 296.327 -0.491 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CC[C@H]1C(N)=O 847285596 OVKPMBINKVARSL-RQJHMYQMSA-N 256.331 -0.821 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@](C)(OC)C(=O)O)n1 852948001 RYUMZHSTRMDIGB-LLVKDONJSA-N 284.272 -0.274 50 20 CBGD CCc1[nH]nc(C(=O)NN(C)C(=S)NC)c1[N+](=O)[O-] 854925804 MYFKYCCLVSGAPD-UHFFFAOYSA-N 286.317 -0.039 50 20 CBGD CN(NC(=O)[C@]1(C2CCCC2)CCNC1=O)C(N)=O 860516673 JRINXCJOICYHAG-LBPRGKRZSA-N 268.317 -0.275 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2cccnc2F)N1 861184813 JOWGEDVFDYGFDF-SSDOTTSWSA-N 281.247 -0.348 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cccc(F)n1)[C@H]1CCC(=O)N1 862236046 HPJRTNYMKKLSMD-HTQZYQBOSA-N 294.286 -0.104 50 20 CBGD C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)c2cn[nH]c2)O1 862470966 ZRGZXOXKNRVBCG-BHNWBGBOSA-N 252.274 -0.016 50 20 CBGD CCN1CCOC[C@H]1C(=O)NN=c1cc[nH]c(C)c1 862514869 ZTJDCYHGVMQFCC-LBPRGKRZSA-N 264.329 -0.024 50 20 CBGD O=C(NOC[C@@H]1CCOC1)c1cc(B(O)O)ccc1F 863880203 QSSZANFDDVUVSJ-MRVPVSSYSA-N 283.064 -0.797 50 20 CBGD CC[C@H](NC(C)=O)C(=O)NNC(=O)NCC1CC1 865016166 YFSPOIPBKZXMAN-VIFPVBQESA-N 256.306 -0.359 50 20 CBGD CC[C@H](NC(C)=O)C(=O)NNC(=S)NCCSC 867162303 KLLVVFANMFNSIJ-QMMMGPOBSA-N 292.430 -0.241 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccnn1C(C)C 869908698 VFIOEAAZWWITDP-UHFFFAOYSA-N 284.316 -0.112 50 20 CBGD C[C@]1(C(=O)NCCNS(C)(=O)=O)C[C@@H]1Br 905841083 XDKZKOSRLBQVLP-XPUUQOCRSA-N 299.190 -0.175 50 20 CBGD C[C@@H](O)CN(C)NC(=O)C(=O)Nc1ccccc1 910171017 QMVVSHQSPDATAF-SECBINFHSA-N 251.286 -0.031 50 20 CBGD CCOC(=O)NNS(=O)(=O)c1n[nH]cc1C(=O)OC 912521169 KKZMKOMHLLRSHW-UHFFFAOYSA-N 292.273 -0.864 50 20 CBGD O=C1CSC[C@@H](C(=O)NNC(=O)NC2CCCC2)N1 930965539 NCTNWKHTFUTNSA-QMMMGPOBSA-N 286.357 -0.509 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1nc[nH]n1 1118218980 RBXXSUFBZMOXAX-JGVFFNPUSA-N 267.289 -0.690 50 20 CBGD C[C@H](C(=O)NNC(=O)c1ccc[nH]1)[C@H]1CCC(=O)N1 1118803813 OUSPWISMEOQLKW-JGVFFNPUSA-N 264.285 -0.310 50 20 CBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)c1ccccc1 1263699339 MIIWDRZLCVMEAN-YPMHNXCESA-N 288.351 -0.164 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)c2ccncc2)nn1 1319328220 ISEPZQITPYALID-UHFFFAOYSA-N 274.240 -0.478 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccnn1CC1CC1 1320240821 INJSOSYHVKFXOA-UHFFFAOYSA-N 295.299 -0.975 50 20 CBGD CO[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)c1cnn(C)c1 1322586310 RJCFNCKOUIWMCX-NSHDSACASA-N 292.299 -0.779 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1ccnc(OC)c1 1323229992 MUSUJDHFJQGMST-UHFFFAOYSA-N 266.257 -0.414 50 20 CBGD Cn1cccc1C=NNC(=O)Cc1cc(O)nc(O)n1 1323268476 JBEGUDJJUYIRFK-UHFFFAOYSA-N 275.268 -0.081 50 20 CBGD Cc1nn(C)c(C)c1CC(=O)NNc1cnnn1C 1326340935 VQOIERILXQQHLC-UHFFFAOYSA-N 263.305 -0.149 50 20 CBGD COCc1nn(C)cc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C 1326678160 UOJGCLZKYDRGRG-IUCAKERBSA-N 296.327 -0.248 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccc(N(C)C)cc1 1330489309 LWYQVAMQYYSBIZ-UHFFFAOYSA-N 294.311 -0.244 50 20 CBGD O=C(CCO)NNC(=O)C(=O)Nc1ccc(F)c(F)c1 1337981945 VFBWBBOJGVUIGU-UHFFFAOYSA-N 287.222 -0.567 50 20 CBGD C[C@]1(NNC(=O)NCc2ccon2)CCS(=O)(=O)C1 1339877494 BVTCUUIQSUDVNT-JTQLQIEISA-N 288.329 -0.444 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N2C[C@H]3CCC[C@H]3C2)N1 1341973507 HFHLYWSGEPMKMD-AEJSXWLSSA-N 280.328 -0.262 50 20 CBGD CC(C)(C)S(=O)(=O)CC(=O)N1CC[C@@H](B(O)O)C1 1351728835 JMGOIGUOENREAR-MRVPVSSYSA-N 277.151 -0.725 50 20 CBGD O=C(NN=Cc1ncc[nH]1)[C@H]1CN2CCC[C@H]2CO1 1549319583 VZSWWCHFSLUJLV-VHSXEESVSA-N 263.301 -0.277 50 20 CBGD CN1C[C@@H](C(=O)NNC(=O)Nc2ccccc2)NCC1=O 1578518606 BYVDDHQOWNFQFI-JTQLQIEISA-N 291.311 -0.731 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)c2ccnnc2)CCN1 1579471183 KTFDRLKLWSMWSK-RKDXNWHRSA-N 263.301 -0.374 50 20 CBGD C=C[C@@H](NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)O 1588700074 DEVREROPRFXKBV-SNVBAGLBSA-N 288.267 -0.464 50 20 CBGD CC(=NNC(=O)C(C)(C)O)c1cc(-c2nn[nH]n2)ccn1 1588771871 BYORTJMXTWIFOA-UHFFFAOYSA-N 289.299 -0.127 50 20 CBGD CC[C@@H](CNC(=O)NNC(=O)N=c1cc[nH]cc1)C(=O)O 1589537873 CBJVJSMWETXSGB-QMMMGPOBSA-N 295.299 -0.050 50 20 CBGD COc1cccc(NCC(=O)NNC(=O)[C@H](C)C(=O)O)c1 1594131120 LVIOWNSLFGUIBN-QMMMGPOBSA-N 295.295 -0.025 50 20 CBGD O=C(NNC(=O)[C@@H]1CC[C@H]1C(=O)O)[C@H]1CCCO1 1605815747 UHUPIBRZAUSGDO-BWZBUEFSSA-N 256.258 -0.576 50 20 CBGD O=C(O)COCC(=O)NNc1ncccc1[N+](=O)[O-] 1606272786 IZNQIVYMUWOEJC-UHFFFAOYSA-N 270.201 -0.466 50 20 CBGD N#Cc1ccc(CCNC(=O)NNC(=O)C(=O)O)cc1 1608204603 LFVYINCMHSMYTP-UHFFFAOYSA-N 276.252 -0.484 50 20 CBGD O=C(NCCOc1ccccc1F)NNC(=O)C(=O)O 1608449611 WBWHOYUVTMVIBZ-UHFFFAOYSA-N 285.231 -0.381 50 20 CBGD Cn1nc(C(=O)NNC(=O)c2ccccn2)ccc1=O 48433107 TWVVTDCUADFYGX-UHFFFAOYSA-N 273.252 -0.750 50 20 CBGD COc1ccnc(NNC(=O)c2cccc[n+]2[O-])n1 48572693 RIZRWGDDEQLZSI-UHFFFAOYSA-N 261.241 -0.125 50 20 CBGD CCNC(=O)NNC(=O)c1ccc2[nH]c(=O)[nH]c2c1 49164979 XKUMLKBZNIWGRW-UHFFFAOYSA-N 263.257 -0.180 50 20 CBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cccn1C 171354380 CBZPWLGBZMYPES-JGVFFNPUSA-N 265.269 -0.405 50 20 CBGD COC(=O)c1cn(CC(=O)NNC(=O)C(C)(C)C)nn1 266973140 CENAZLXIEUOFBT-UHFFFAOYSA-N 283.288 -0.742 50 20 CBGD NNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 270197557 FACLEXLYRFSKLU-UHFFFAOYSA-N 286.309 -0.389 50 20 CBGD O=C(CN1CCCS1(=O)=O)NNc1ccncc1 272509845 GEKSFOQPFCIYHT-UHFFFAOYSA-N 270.314 -0.440 50 20 CBGD COC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)c1cccn1C 284907023 ATQSBDAKPOKODD-IUCAKERBSA-N 279.296 -0.015 50 20 CBGD COC(=O)NCC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 293899947 LHWVCRBGKFMKOJ-BQBZGAKWSA-N 259.262 -0.943 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 490811647 GPACQNIEAFRJFI-FLOXNTQESA-N 278.268 -0.807 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H]2NC(=O)OC[C@H]2C1 493712704 WEGMQVNHSUARKY-AEJSXWLSSA-N 298.343 -0.637 50 20 CBGD COCCc1nc(COc2ccc(B(O)O)cc2)no1 584909884 JPAFOBAYXWWZML-UHFFFAOYSA-N 278.073 -0.483 50 20 CBGD C[C@H](CN1CCCCC1)NC(=O)c1ccc(B(O)O)cc1 584929568 RPNMKXQETCPPPY-GFCCVEGCSA-N 290.172 -0.029 50 20 CBGD CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cccc(B(O)O)c1 584937839 CRUFDHKOWIPBEC-ZJUUUORDSA-N 292.144 -0.601 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H](N2CCCC2)C1 584940398 VCLLPKUVNRUAMZ-AWEZNQCLSA-N 288.156 -0.323 50 20 CBGD O=C(N[C@@H]1CCOC1)c1cc(B(O)O)ccc1F 584964334 CSPQDJWTEUIMHP-MRVPVSSYSA-N 253.038 -0.976 50 20 CBGD C[C@@H](NC(=O)c1ccc(B(O)O)cc1)C1(CO)CC1 585005568 CHDHTLLDGYSKJF-SECBINFHSA-N 263.102 -0.743 50 20 CBGD CC(C)[C@H](CNCc1ccc(B(O)O)o1)N1CCOCC1 585015456 ZGLBHRIJVZXKRD-ZDUSSCGKSA-N 296.176 -0.594 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCC[C@@H](O)C2)c(F)c1 585032400 HKPLPBSNVYYVKB-VXGBXAGGSA-N 267.109 -0.101 50 20 CBGD OB(O)c1cccc(CNCCN2CC=CCC2)c1 585039386 QXPVCHRVHJVOQU-UHFFFAOYSA-N 260.146 -0.282 50 20 CBGD CCCN1C[C@H](NCc2cccc(B(O)O)c2)CC1=O 585048004 IORPKOHBSMUARG-CYBMUJFWSA-N 276.145 -0.533 50 20 CBGD CC(C)CN1C[C@H](C(=O)N2CC[C@@H](B(O)O)C2)CC1=O 585077888 URMCOIRAPDXKNR-GHMZBOCLSA-N 282.149 -0.434 50 20 CBGD CCOCC(=O)NNC(=O)NCc1cc(CC)[nH]n1 739018873 GNFHVVFQBFDENN-UHFFFAOYSA-N 269.305 -0.161 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@]12CCC(=O)N1CCS2 746005953 FKAIJZGJHAWAIE-JTQLQIEISA-N 272.330 -0.646 50 20 CBGD COc1cc(NC(C)=O)ccc1C(C)=NNC(=O)C(N)=O 747744688 QLWJJEPZSVOWKY-UHFFFAOYSA-N 292.295 -0.021 50 20 CBGD CN(C)C(=O)NNC(=O)C1(S(C)(=O)=O)CCCC1 749850264 PDHOBJPIJFAMOS-UHFFFAOYSA-N 277.346 -0.354 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(C)[C@@H](C)C1 761078256 WORLSSQJAPJABW-UWVGGRQHSA-N 256.350 -0.432 50 20 CBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C(C)(C)O 768256633 USQMWFHYSUUWNF-UHFFFAOYSA-N 287.360 -0.153 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@H](C)[C@H]1CN(C)CCO1 770124242 PRTGAPFHHQPAKU-NXEZZACHSA-N 272.349 -0.308 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccn(C)c(=O)c1 772022128 TWUUKCBONRLUNR-QMMMGPOBSA-N 295.295 -0.512 50 20 CBGD CN(NC(=O)c1cc2c(N(C)C)ncnc2n1C)C(N)=O 778417686 CKMKJTNFJDSTQB-UHFFFAOYSA-N 291.315 -0.310 50 20 CBGD O=C(CN1C[C@H]2C[C@]2(CO)C1)NNC(=O)c1ccccc1 782633312 NYVVCHWOIIAWQH-IUODEOHRSA-N 289.335 -0.238 50 20 CBGD C[C@@H](OCC1CC1)C(=O)NNC(=O)N1CCN(C)CC1 788169990 VTIZGFKPMMRWCL-SNVBAGLBSA-N 284.360 -0.210 50 20 CBGD N#Cc1cccc(-c2cc(C(=O)NNC(=O)CO)on2)c1 790919195 KPZJNINOABPWMB-UHFFFAOYSA-N 286.247 -0.033 50 20 CBGD CC(C)C(CS(=O)(=O)N(C)C)=NN(C)C(N)=O 794921821 GLYFHOIVFSSFDR-UHFFFAOYSA-N 264.351 -0.100 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 798305671 ZPVFVPJBYABFEF-RKDXNWHRSA-N 284.385 -0.041 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCN(C)C1 807369870 NDZOZOCOKWQGRP-SNVBAGLBSA-N 287.360 -0.125 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCSC2)CC1 807383028 YZAUSFHAGQOKTO-VIFPVBQESA-N 272.374 -0.272 50 20 CBGD COCCN(C)NC(=O)CCN1C(=O)CCC1=O 808075692 XDVUALLNXZKKIP-UHFFFAOYSA-N 257.290 -0.865 50 20 CBGD COCCCn1cc(C(=O)NN(C)[C@H](C)CO)cn1 823907499 MFNKLXGGFYLXQC-SNVBAGLBSA-N 270.333 -0.123 50 20 CBGD CN1C(=O)CC[C@@H](NC(=O)NNc2ncccn2)C1=O 824794415 PVVCWZSEAQULMO-SSDOTTSWSA-N 278.272 -0.750 50 20 CBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNC(=O)c1ccc(Cl)nc1 841383198 ZTIYHWYXITUOED-SVGQVSJJSA-N 298.686 -0.007 50 20 CBGD COc1ccnc(C=NNC(=O)C(=O)NC(C)C)n1 842525431 PBEPOGDUPYZAFM-UHFFFAOYSA-N 265.273 -0.540 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=S)NC[C@H]1CCOC1 843276578 DILVXGBBIYLBCR-IVZWLZJFSA-N 287.385 -0.057 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843972426 GWNUTWQJJRJESX-WOPDTQHZSA-N 279.340 -0.344 50 20 CBGD CC(C)C(=O)NNC(=O)Cn1nc2n(c1=O)CCCC2 845084904 OUMCMJDNWHNGGY-UHFFFAOYSA-N 281.316 -0.816 50 20 CBGD CCONC(=O)CNC(=O)NNc1cccnn1 845547075 QMHKSNZSARQIAZ-UHFFFAOYSA-N 254.250 -0.830 50 20 CBGD NCCC1CCN(CC(=O)NNC(=O)C2CC2)CC1 846228065 YQQHJPGAKCDJSO-UHFFFAOYSA-N 268.361 -0.395 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCC=CO2)CC1 854379282 VMMBHEWUXIHGCU-SNVBAGLBSA-N 268.317 -0.333 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@]12CCOC2)c1cc[nH]n1 855356904 UKMFJYNZGBIPND-HQJQHLMTSA-N 250.258 -0.403 50 20 CBGD O=C(NNC(=O)C1SCCS1)c1cc[nH]n1 855357672 OORZSFPANHBQOV-UHFFFAOYSA-N 258.328 -0.023 50 20 CBGD C[C@@H]1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C[C@@H]1C 858696542 MWWUTIGNGWGYTQ-UTLUCORTSA-N 282.344 -0.016 50 20 CBGD C[C@@H](NNC(=O)CN1C(=O)CN(C)C1=O)C(F)(F)F 862305554 QEOOIVCBEGQCLB-RXMQYKEDSA-N 282.222 -0.548 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C[C@@H]1CCCCO1 863462866 ZRJKEDMAYBYZJU-QMMMGPOBSA-N 278.330 -0.862 50 20 CBGD CC(C)OC(=O)[C@H](C)CNC(=O)c1ccc(B(O)O)cc1 863874070 OQSGGJAHXHLWIJ-SNVBAGLBSA-N 293.128 -0.316 50 20 CBGD C[C@@H]1[C@H](O)CCN1C(=O)c1cc(B(O)O)ccc1F 863885079 HBLPSQCEEJBWSA-RDDDGLTNSA-N 267.065 -0.899 50 20 CBGD O=C1O[C@@H](C(=O)N2CC[C@H](B(O)O)C2)Cc2ccccc21 864231329 LUEKQZSAIQASDM-CMPLNLGQSA-N 289.096 -0.157 50 20 CBGD CCc1cc(C(=O)NNC(=O)N2CCOCC2)no1 900426811 MOYBKCIGZCFMGK-UHFFFAOYSA-N 268.273 -0.076 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CC(=O)N(C2CC2)C1 910174740 WOXHLYDWBYRVKS-BDAKNGLRSA-N 255.318 -0.659 50 20 CBGD C=C(C)[C@H]1OCC[C@H]1C(=O)NNC(=O)COCCOC 913433668 MWEJNLMYNKZYGP-ZYHUDNBSSA-N 286.328 -0.222 50 20 CBGD C[C@H](CN1CCOCC1)NC(=O)NNC(=O)c1ccc[nH]1 916470542 PFNIFCOSSRYHCZ-SNVBAGLBSA-N 295.343 -0.321 50 20 CBGD O=C(CCOC1CCOCC1)NNC(=O)Cc1cc[nH]n1 1116581318 IGDSHLYNOIKPLR-UHFFFAOYSA-N 296.327 -0.315 50 20 CBGD COc1nccnc1NNC(=O)CO[C@H]1CCOC1 1116625189 WGOBZDPOPNDESY-QMMMGPOBSA-N 268.273 -0.266 50 20 CBGD Nc1cnnc(NNC(=O)[C@@H]2CCNC(=O)C2)c1Cl 1253123996 NRQKGXRBORIWML-RXMQYKEDSA-N 284.707 -0.319 50 20 CBGD O=C(CCl)N1CCN(C(=O)CN2CCOCC2)CC1 1319923710 YPSKOSCXLWRTNU-UHFFFAOYSA-N 289.763 -0.772 50 20 CBGD COc1ncncc1NC(=O)C(=O)NNC(=O)C(C)C 1320349011 NIYZKKGWXDZDFL-UHFFFAOYSA-N 281.272 -0.773 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccc2nccnc2c1 1320377743 BVEPRPRGMQIXRB-UHFFFAOYSA-N 289.251 -0.045 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)C(=O)NCC(F)F 1321181003 FQRJXTLOPGSRSH-UHFFFAOYSA-N 286.238 -0.847 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cc2n(n1)CCCC2 1322943368 YMOHYBBNOYYNRQ-UHFFFAOYSA-N 281.272 -0.455 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1snnc1C1CC1 1326047875 GAMPTQNJPVGXEG-UHFFFAOYSA-N 297.340 -0.299 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H](CO)NC(=O)C(C)C 1326048940 XMQFAROLRFULLQ-QMMMGPOBSA-N 290.389 -0.977 50 20 CBGD O=C(C[C@@H]1CC(=O)N1)NNc1ncc(Cl)cn1 1329668526 WHORPLQPEDAXDW-LURJTMIESA-N 255.665 -0.148 50 20 CBGD CCN(CCO)NC(=O)C(=O)c1cnn(CC)c1 1330879525 KLYRAUSLZNZLKU-UHFFFAOYSA-N 254.290 -0.569 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@@H]2NC(=O)O[C@@H]2C)cc1 1331434721 QTDPTQJVMRFYMB-GMSGAONNSA-N 293.279 -0.047 50 20 CBGD COC1CCN(C(=O)NNC(=O)c2cccnn2)CC1 1340482791 BUSHSTCDJUEZDV-UHFFFAOYSA-N 279.300 -0.058 50 20 CBGD CNC(=O)CCCCC(=O)NNC(=O)c1c[nH]nc1C 1343128872 GUEGSJPHTAVBIF-UHFFFAOYSA-N 281.316 -0.214 50 20 CBGD Cc1cnn(CCC(=O)N2CC[C@H](B(O)O)C2)c1 1348490006 KFQDEDSBQCSCMC-JTQLQIEISA-N 251.095 -0.343 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccnc1F 1349138877 QVDXQNVCYGWXCS-UHFFFAOYSA-N 284.247 -0.657 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccsn1 1351239050 PJOJBLDZMLPNPM-UHFFFAOYSA-N 256.287 -0.571 50 20 CBGD O=C(NN=C1CCn2ccnc21)[C@H]1CN2CCC[C@@H]2CO1 1549314230 JXHZTUMXIHEMPW-ZYHUDNBSSA-N 289.339 -0.030 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1c[nH]nc1[C@@H]1CCNC1 1576036467 JUFDSJLGRNYNKU-DTWKUNHWSA-N 267.333 -0.556 50 20 CBGD CCC[C@@](C)(N)C(=O)NNC(=O)NCCCOC 1577328428 MRBLTSCCCAFNCS-LLVKDONJSA-N 260.338 -0.129 50 20 CBGD CCc1cnc(O)c(C(=O)NNC(=O)[C@@H]2CCN2)c1 1578245933 SMBCDAOIBRRERQ-VIFPVBQESA-N 264.285 -0.528 50 20 CBGD Cn1nc(C(=O)NNC(=O)C2CCCC2)cc1N 1579989794 NYYAGTGLMSZGAA-UHFFFAOYSA-N 251.290 -0.047 50 20 CBGD O=C(COCc1cccnc1)NNC(=O)[C@H]1CCN1 1580560826 IVRSTGFWPCCYAB-SNVBAGLBSA-N 264.285 -0.893 50 20 CBGD CCn1ccnc1[C@@H](C)NC(=O)NNC(=O)C(=O)O 1597914275 IXKJABVMXURAON-ZCFIWIBFSA-N 269.261 -0.621 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)CC(F)(F)F)O[C@H]1C(=O)O 1599875757 FEWMJYHBROYVOW-WYDQCIBASA-N 298.217 -0.036 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)CC2CC2)O[C@H]1C(=O)O 1599875978 MWCBVGUENZSRLQ-GTNGPMTGSA-N 270.285 -0.188 50 20 CBGD O=C(CC[C@@H]1C[C@H](C(=O)O)CO1)NNC(=O)NCC1CC1 1601284799 FBSORTFCVVRROR-VHSXEESVSA-N 299.327 -0.003 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1ccccc1C(=O)O 1605494935 KQKNLQSLDGLMEZ-UHFFFAOYSA-N 287.297 -0.103 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1sccc1-c1nn[nH]n1 1609085160 ZRHLAYPBFCSLAG-UHFFFAOYSA-N 296.312 -0.540 50 20 CBGD C[C@]1(C(=O)O)CN(S(=O)(=O)CCl)CCO1 1776507555 GDKXARXJFRPVEI-SSDOTTSWSA-N 257.695 -0.312 50 20 CBGD CNS(=O)(=O)c1ccc(C(=O)NNC(C)=O)cc1 47836487 VANFKDVZIIQLSL-UHFFFAOYSA-N 271.298 -0.624 50 20 CBGD CCOC(=O)/C(C#N)=C/NCCN1C(=O)CCC1=O 265074037 UATDQIXLHFHYIZ-CMDGGOBGSA-N 265.269 -0.304 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCOC1 265890712 PWMDBTALSKYDLK-QMMMGPOBSA-N 271.317 -0.525 50 20 CBGD C[C@H](NC(=O)c1ccoc1)C(=O)NNC(=O)C(C)(C)O 276195342 FGPHAMNENBVTNZ-ZETCQYMHSA-N 283.284 -0.684 50 20 CBGD Cc1cccnc1NNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 281885476 PAYXFALTJNCBBR-DTWKUNHWSA-N 264.285 -0.134 50 20 CBGD COCCCNC(=O)NNC(=O)Cn1cc(Cl)cn1 291457100 HTOUHEQULGFWNN-UHFFFAOYSA-N 289.723 -0.097 50 20 CBGD Cc1ccc2c(c1)CC[C@H](C(=O)NNC(=O)CO)O2 369798222 BWLGKSXQMKZOFC-LLVKDONJSA-N 264.281 -0.172 50 20 CBGD CCCCCS(=O)(=O)CC(=O)NNC(=O)OC 495368151 XYAULWIXXOIFTM-UHFFFAOYSA-N 266.319 -0.021 50 20 CBGD O=C(NCCCOCC1CC1)c1cccc(B(O)O)c1 584925246 FIRGICXKPHCCCM-UHFFFAOYSA-N 277.129 -0.087 50 20 CBGD CC[C@@H](COC)NC(=O)c1cccc(B(O)O)c1 584949449 LTMGBJVKOHSTSV-NSHDSACASA-N 251.091 -0.479 50 20 CBGD CC(C)(O)CCNC(=O)c1cccc(B(O)O)c1 584978171 UXQDRZLAAOYHGM-UHFFFAOYSA-N 251.091 -0.743 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCCOC1 584988941 WBNYEDHUVXNZLW-UHFFFAOYSA-N 253.038 -0.675 50 20 CBGD COCC[C@H](C)CNC(=O)c1ccc(B(O)O)c(F)c1 585002134 NLXVBGRSSNOBOD-VIFPVBQESA-N 283.108 -0.092 50 20 CBGD COCC[C@@H](C)CNC(=O)c1ccc(B(O)O)cc1 585002592 ZSHCINXVPCGBPR-SNVBAGLBSA-N 265.118 -0.231 50 20 CBGD OB(O)c1ccccc1CNCCCN1CCC(O)CC1 585018353 JXYZRKIDEILIRU-UHFFFAOYSA-N 292.188 -0.697 50 20 CBGD COCC[C@](C)(O)CNCc1cccc(B(O)O)c1 585023365 KIZRRMQEPZBUCH-ZDUSSCGKSA-N 267.134 -0.757 50 20 CBGD CC[C@@H](NCc1ccc(B(O)O)cc1F)[C@H](O)C(F)F 585043965 WDLGAWUXQICPKM-MNOVXSKESA-N 291.078 0.000 50 20 CBGD CN1CCN(S(=O)(=O)CBr)[C@H](CO)C1 699501135 SBBLQDGRYZFPMQ-ZETCQYMHSA-N 287.179 -0.723 50 20 CBGD O=C1CC(C(=O)NNC(=O)Cn2ccc3ccccc32)=NN1 732288636 UUMDUPORWCXGTA-UHFFFAOYSA-N 299.290 -0.335 50 20 CBGD CS(=O)(=O)NCCNC(=O)NNc1ccccc1 734267506 IYLAKGSGAUNFCB-UHFFFAOYSA-N 272.330 -0.138 50 20 CBGD CN1CC[C@H](C(=O)NNc2ncnc3[nH]cnc23)CC1=O 743468376 DRDHCJJADHWIEW-ZETCQYMHSA-N 289.299 -0.336 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H](C)CCOC 748628387 VBLPEPMSLRNGRF-NXEZZACHSA-N 291.348 -0.207 50 20 CBGD C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)CO 753443285 YOTHYIICIBOHIA-BDAKNGLRSA-N 260.290 -0.900 50 20 CBGD O=C(COc1cccnc1)NNC(=O)Cc1cc[nH]n1 755276166 KIKWXYCVHYIQCW-UHFFFAOYSA-N 275.268 -0.426 50 20 CBGD C#Cc1cccc(NC(=O)C(=O)NNC(=O)COCC)c1 764325254 GRUXVLCOHCKREO-UHFFFAOYSA-N 289.291 -0.210 50 20 CBGD N#C[C@@H]1COCCN1CC(=O)NNC(=O)c1cccs1 777619285 JNIDDWUAGCZZBV-SECBINFHSA-N 294.336 -0.267 50 20 CBGD COc1ccc(NNC(=O)[C@H]2CCC(=O)N2)nc1 781519986 WYHXWTYBOSIEPU-MRVPVSSYSA-N 250.258 -0.188 50 20 CBGD COC(=O)CNC(=O)NN=C(C)c1cc(C)nn1C 789036243 BAAFSAVVULEBAK-UHFFFAOYSA-N 267.289 -0.075 50 20 CBGD COCCCNC(=O)NNC(=O)c1n[nH]cc1C 799411861 RRXGDNLLACKHKH-UHFFFAOYSA-N 255.278 -0.301 50 20 CBGD O=C(CO)NNC(=O)c1ncsc1C(F)(F)F 802573887 VOFISNNHFJNCHU-UHFFFAOYSA-N 269.204 -0.085 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 823976988 LZYHPQONWZYPLV-YUMQZZPRSA-N 297.277 -0.259 50 20 CBGD O=C(Cc1cncc(O)c1)NNC(=O)N1CCOCC1 824621546 RPSJWIQWOIJHTR-UHFFFAOYSA-N 280.284 -0.597 50 20 CBGD O=C(CCCF)NNC(=O)CNC(=O)c1ccco1 825267919 ZUXYHXFTNQETDG-UHFFFAOYSA-N 271.248 -0.094 50 20 CBGD CCCN1C[C@H](C(=O)NNC(=O)C(C)(C)O)CC1=O 840432816 IHZYGALVCJMUIU-MRVPVSSYSA-N 271.317 -0.837 50 20 CBGD CCCn1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)nn1 843663965 ZYGOFRGHZGREFB-IUCAKERBSA-N 281.316 -0.126 50 20 CBGD CON1CCN(CC(=O)NNC(=O)c2ccccc2)CC1 846982188 RURGRHKCNUITIT-UHFFFAOYSA-N 292.339 -0.373 50 20 CBGD CNC(=S)N(C)NC(=O)Cc1nnc(C)s1 854927409 HEQCDDPNACTGSF-UHFFFAOYSA-N 259.360 -0.144 50 20 CBGD CC(C)[C@H](CO)ONC(=O)c1cccc(B(O)O)c1 863885988 RGQGMUVAOXPBTH-NSHDSACASA-N 267.090 -0.955 50 20 CBGD CC(C)(CCl)CS(=O)(=O)N1CCO[C@@H](C(N)=O)C1 866678743 XCSAQNUTWFDDOY-MRVPVSSYSA-N 298.792 -0.233 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)n[nH]1 869015948 DAUBXNKQWKXKEH-MXWKQRLJSA-N 278.312 -0.024 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CCCN1C1CC1 869905377 BSPJFLNTSQVJQN-NSHDSACASA-N 285.344 -0.576 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 910171222 VFZAZJQRUQJUIL-UWVGGRQHSA-N 271.361 -0.023 50 20 CBGD CCCCC[C@H](O)C(=O)NNC(=O)CN1CCCC1=O 913733799 WDHVPTBJOSNMIQ-JTQLQIEISA-N 285.344 -0.303 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@H](C2OCCO2)C1 932003704 UNXBLXZVANXMIF-JTQLQIEISA-N 299.371 -0.125 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)C(=O)Nc2ccccn2)CO1 1255491887 XMTHOOUJBHACOD-BDAKNGLRSA-N 292.295 -0.408 50 20 CBGD CN(C)C(=O)CNC(=S)NNC(=O)c1ccc[nH]1 1317927519 RENQEQODSILZSV-UHFFFAOYSA-N 269.330 -0.788 50 20 CBGD Cc1ncc(C(=O)NNc2ccc(C(N)=O)nn2)[nH]1 1319245777 XPUADJYZQHYNGX-UHFFFAOYSA-N 261.245 -0.636 50 20 CBGD N#Cc1c[nH]c(C(=O)NNC(=O)C(=O)N2CCCC2)c1 1319359937 HOECPBBMJFVTJF-UHFFFAOYSA-N 275.268 -0.730 50 20 CBGD O=C(CCO)NNC(=O)Nc1ccc(-n2cnnn2)cc1 1320274576 GNYXDYRYPUTQNY-UHFFFAOYSA-N 291.271 -0.803 50 20 CBGD COc1ccc(NC(=O)C(=O)NNC(=O)N(C)C)cc1 1321887048 QFZVNYFZIFVOQB-UHFFFAOYSA-N 280.284 -0.064 50 20 CBGD CC(=O)NCC(=O)NNc1ccc(-n2ccnc2)nn1 1323086607 BHORVFLGWYKDBB-UHFFFAOYSA-N 275.272 -0.759 50 20 CBGD CCNC(=O)NNC(=O)CCOC1CCOCC1 1323668292 LMGILKIHFFZWQM-UHFFFAOYSA-N 259.306 -0.078 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)[C@H]1CCC(=O)N1 1329222288 HAIPKPTZUZWZKY-HZGVNTEJSA-N 279.300 -0.606 50 20 CBGD C[C@H](CC(=O)NNC(=O)[C@H]1CCC(=O)N1)n1ccnc1 1330107996 LIPYMGCRTNDCQZ-RKDXNWHRSA-N 279.300 -0.740 50 20 CBGD Cn1ncc(C2CC2)c1C(=O)N1CC[C@@H](B(O)O)C1 1348490558 SNZOTYOILSNUEO-SECBINFHSA-N 263.106 -0.014 50 20 CBGD CN(CC1CCOCC1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1351354370 XFIRPUHEQPPLDI-SNVBAGLBSA-N 298.343 -0.636 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1noc2c1COCC2 1354052011 QBWXPUYYKLTLAI-SSDOTTSWSA-N 255.274 -0.295 50 20 CBGD O=C(CSCc1cnn[nH]1)NNC(=O)c1ccccn1 1577960061 ZFMCVCNNPXOYCQ-UHFFFAOYSA-N 292.324 -0.106 50 20 CBGD O=C(CCn1ccnc1)NNc1ccc(-c2nn[nH]n2)cn1 1582090561 VGVLZBRUVXVIFL-UHFFFAOYSA-N 299.298 -0.008 50 20 CBGD C=CCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1588658177 AQDVFCGQPVICHR-UHFFFAOYSA-N 287.283 -0.003 50 20 CBGD O=C(NNc1cccc(-c2nn[nH]n2)c1)c1n[nH]c(O)n1 1593167718 PPGSKCDDYXYQRA-UHFFFAOYSA-N 287.243 -0.553 50 20 CBGD Cc1cccc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c1 69901826 RPEAREDGEILTNP-UHFFFAOYSA-N 299.352 -0.171 50 20 CBGD C=CCNC(=O)NNC(=O)CNC(=O)c1ccco1 101763097 DMDXEWYPKQAZML-UHFFFAOYSA-N 266.257 -0.474 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)c2cc(C)n[nH]2)C1 153894161 INYHIYWOMVCSLF-JTQLQIEISA-N 281.316 -0.800 50 20 CBGD N#C[C@H]1CN(CC(=O)NNC(=O)c2cccs2)CCO1 155600984 LCMAECFMUYYIAG-VIFPVBQESA-N 294.336 -0.267 50 20 CBGD CC(=O)NNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 190822422 LYHWYYVXNPBJCP-VIFPVBQESA-N 253.302 -0.055 50 20 CBGD CC(=O)c1cc(C(=O)NNC(=O)CO)ccc1C 193153692 GTLURAHXBBTHQU-UHFFFAOYSA-N 250.254 -0.049 50 20 CBGD C[C@H]1CCCN(C(=O)C(=O)NNC(=O)C2CC2)C1 274404723 BCKZHLHHAHSGAS-QMMMGPOBSA-N 253.302 -0.198 50 20 CBGD COc1cc(C)nc(NNC(=O)CCCC(N)=O)n1 278391480 ADGCXDKXVXDXON-UHFFFAOYSA-N 267.289 -0.108 50 20 CBGD O=C1CCCC[C@H](C(=O)NNC(=O)NC2CC2)N1 279316359 WYBUKOQUXAPYSY-MRVPVSSYSA-N 254.290 -0.462 50 20 CBGD CSCC[C@@H](O)C(=O)NNC(=O)NCC(F)(F)F 280897987 DOLQKBWUYDEACT-RXMQYKEDSA-N 289.279 -0.007 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cc([N+](=O)[O-])[nH]n1 285775188 JSRNLCVTUOLZFH-UHFFFAOYSA-N 256.222 -0.376 50 20 CBGD CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)C(C)(C)O 286919846 ZESHVYCZIOAWNC-VIFPVBQESA-N 271.317 -0.694 50 20 CBGD CCN1CCO[C@@H](C(=O)NNC(=O)c2cccc(C)n2)C1 373621206 FMMQRTLLEYIHOW-GFCCVEGCSA-N 292.339 -0.128 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1cnc[nH]1 494639888 HFCDWIYVPCAGOI-UHFFFAOYSA-N 283.288 -0.305 50 20 CBGD CS(=O)(=O)N1CC[C@H](COc2ccc(B(O)O)cc2)C1 584910262 PARRKNGWHJDPNF-JTQLQIEISA-N 299.157 -0.973 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCC[C@@H](O)C1 584912488 GHAYINSDBKCARK-BXKDBHETSA-N 263.102 -0.144 50 20 CBGD CN1CC[C@@]2(CCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 584992592 PTXSSQHIDMBILV-OAHLLOKOSA-N 288.156 -0.466 50 20 CBGD COC[C@@]1(NC(=O)c2ccc(B(O)O)c(F)c2)CCOC1 584998056 OEHLMTQJOLRASU-ZDUSSCGKSA-N 297.091 -0.959 50 20 CBGD O=C(Nc1nnc(C2CC2)s1)c1ccc(B(O)O)cc1 585004811 OEBHEOAAAUZRGE-UHFFFAOYSA-N 289.125 0.348 50 20 CBGD C[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C[C@H]1CO 585010955 VFPYMXOMODBCIR-UWVGGRQHSA-N 295.119 -0.404 50 20 CBGD C[C@@H]([C@@H](C)NCc1ccc(B(O)O)o1)n1cccn1 585021391 JUUZHYLYNYKBBL-ZJUUUORDSA-N 263.106 -0.105 50 20 CBGD O=C1CC[C@@H](NCc2ccccc2B(O)O)C2(CCC2)N1 585042134 JKXKBJBXWVJXDK-CYBMUJFWSA-N 288.156 -0.343 50 20 CBGD O=C(NCB(O)O)c1ccc(Cl)cc1[N+](=O)[O-] 585057383 SGQOSVVKGAEOKQ-UHFFFAOYSA-N 258.426 -0.010 50 20 CBGD Cc1c(C(=O)NCB(O)O)nnn1Cc1ccc(F)cc1 585061985 AUADDKGAQSNXGD-UHFFFAOYSA-N 292.079 -0.484 50 20 CBGD O=C(O)[C@]1(C(=O)N2CC[C@@H](B(O)O)C2)CC=CCC1 585063918 KOVGHXCRURHLSU-BXKDBHETSA-N 267.090 -0.127 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C1(C(=O)NC2CC2)CC1 732084181 PRODKGAEWOKOOP-UHFFFAOYSA-N 291.311 -0.462 50 20 CBGD CC[C@@H]1CN(CC(=O)NNC(=O)C2CC2)CCO1 733193579 XSOUAWFPGRDQJY-SNVBAGLBSA-N 255.318 -0.345 50 20 CBGD O=C(O)NCC(=O)NNC(=O)Cc1ccccc1F 738651104 JSLKGLAVRQJQJU-UHFFFAOYSA-N 269.232 -0.217 50 20 CBGD O=C(O)NCC(=O)NNc1nc(-c2ccncc2)no1 738654860 VYPMOACPBOTMSR-UHFFFAOYSA-N 278.228 -0.158 50 20 CBGD COc1cc2c(cc1C=NNC(=O)CO)OCO2 758886220 WXHDAOIJSIZPJC-UHFFFAOYSA-N 252.226 -0.134 50 20 CBGD CCCOc1cccc(NC(=O)C(=O)NNC(=O)CO)c1 764430672 YSCSOGDHJXHBDK-UHFFFAOYSA-N 295.295 -0.446 50 20 CBGD CN(C)C(=O)Cn1ccc(NC(=O)NNC(=O)C2CC2)n1 764648776 DRLBVJJSBWNVRB-UHFFFAOYSA-N 294.315 -0.466 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CNC(=O)Nc1ccccc1 768261050 KQAUKTREAKLLAK-UHFFFAOYSA-N 294.311 -0.274 50 20 CBGD COc1cc(C(=O)NNC(=O)c2c[nH]nc2C)nn1C 772897793 NKISCEIBRILREL-UHFFFAOYSA-N 278.272 -0.465 50 20 CBGD O=C(CO)NNC(=O)Cc1ccc2c(c1)OCCO2 777781873 POVOXFPAHOBBDN-UHFFFAOYSA-N 266.253 -0.860 50 20 CBGD C[C@H]1C[C@@H](C(=O)NNC(=O)N2CCOCC2)CO1 784149016 DBYMRPMUOLTAEB-DTWKUNHWSA-N 257.290 -0.516 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1O 787865280 VCDNCUQFJMPTOO-UHFFFAOYSA-N 279.296 -0.014 50 20 CBGD C=CCN1CC[C@H](N(C)[C@H](C)C(=O)NNC(=O)CC)C1=O 799177151 IPDNJFIFKKXLNW-MNOVXSKESA-N 296.371 -0.349 50 20 CBGD Cn1cnn(CC(=O)NNc2cccc(F)n2)c1=O 804770280 XYFJQHSOWFTHLG-UHFFFAOYSA-N 266.236 -0.741 50 20 CBGD CO[C@@H]1COC[C@@H]1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 826963006 JAOLEWPYPKEEOL-DOLQZWNJSA-N 287.316 -0.844 50 20 CBGD CCCN1C[C@@H](C(=O)NNC(=O)[C@@H]2CCCCO2)CC1=O 839780791 FIRMJTGPACRHDT-QWRGUYRKSA-N 297.355 -0.039 50 20 CBGD C[C@H](COCC1CC1)NC(=O)NNC(=O)C(=O)NC1CC1 845577742 RODXTYJVHHBLOD-MRVPVSSYSA-N 298.343 -0.590 50 20 CBGD Cc1ccnc(NNC(=O)CCn2ncn(C)c2=O)c1 848372260 MDBHHXRZIPWMLB-UHFFFAOYSA-N 276.300 -0.181 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)C)Cc1nnc(O)o1 852188622 KSDDGOFCXHPKEY-UHFFFAOYSA-N 285.304 -0.600 50 20 CBGD Cc1cccc(OCC(=O)NNC(=O)[C@H]2CCNC2=O)c1 854188931 MUXYYHUIHZKKMF-NSHDSACASA-N 291.307 -0.343 50 20 CBGD CN1CCN(C(=O)NNC(=O)C(F)(F)C(F)F)CC1 854378867 GBCPKZRGZILXEH-UHFFFAOYSA-N 286.229 -0.125 50 20 CBGD CCO[C@@H]1CC(=NNC(=O)[C@H]2CCC(=O)N2)[C@H]1OC 863151734 SGPQLNLRPZTDTM-BCMRRPTOSA-N 269.301 -0.439 50 20 CBGD COC(=O)[C@@H](C)CN(C)C(=O)c1cc(B(O)O)ccc1F 863872193 BNFGGLDVCZZLFL-QMMMGPOBSA-N 297.091 -0.613 50 20 CBGD O=C1C[C@H](NS(=O)(=O)CBr)CO1 867288119 PNDSWNWYWMEFMD-BYPYZUCNSA-N 258.093 -0.426 50 20 CBGD CC(=O)CN(C(=O)c1cccc(B(O)O)c1)C(C)C 868597174 XHRYPRFMBDRPQG-UHFFFAOYSA-N 263.102 -0.194 50 20 CBGD O=C(NNC(=O)[C@H]1CCCNC1=O)OCC(F)(F)F 869281999 TVSDWZPWNMPRQX-YFKPBYRVSA-N 283.206 -0.168 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccn(C)c1 869908616 RUVJQUVGZQFHJM-UHFFFAOYSA-N 255.274 -0.551 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@]12CCOC2)c1cccnn1 882057182 PWCJEMDSECTEGI-UFBFGSQYSA-N 262.269 -0.336 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)CC1 908054850 JWOFBXWZONIUKS-FBIMIBRVSA-N 280.328 -0.800 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)c1ccncc1 920396071 ZKYKAHXFYPSQEK-QMMMGPOBSA-N 264.285 -0.243 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCCS(C)(=O)=O)cn1 1116087906 OEYYAEHISNZBJD-UHFFFAOYSA-N 288.329 -0.994 50 20 CBGD CC(=O)c1cc(NC(=O)C(=O)NNC(=O)CO)ccc1F 1117386607 CDCXNADVRCUASV-UHFFFAOYSA-N 297.242 -0.894 50 20 CBGD O=C(/C=C/c1ccc[nH]1)NNC(=O)[C@H]1CCC(=O)N1 1118884618 LBYFWSYLYCRQAE-HYYFJVDXSA-N 262.269 -0.546 50 20 CBGD CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)N1CCOCC1 1120683258 FEZBFLWCWYCXAO-NXEZZACHSA-N 271.317 -0.126 50 20 CBGD Nc1cnnc(NNC(=O)CO[C@H]2CCOC2)c1Cl 1253124671 XBNCZZPIXVICIL-LURJTMIESA-N 287.707 -0.039 50 20 CBGD Cn1cnnc1COCC(=O)NNc1ncncc1Cl 1261244186 GRCFSMPWUCUBLL-UHFFFAOYSA-N 297.706 -0.082 50 20 CBGD Cn1cnc(CNC(=O)NNC(=O)c2ccc(C#N)cc2)n1 1319693973 NDCHHZWLWGOFIA-UHFFFAOYSA-N 299.294 -0.169 50 20 CBGD COc1ccnc(NNC(=O)C(=O)NCC(F)F)n1 1320089136 XGACQJQGYSASNL-UHFFFAOYSA-N 275.215 -0.690 50 20 CBGD Cc1noc(CCC(=O)NNC(=O)C(C)(C)O)n1 1320652853 NTHVNXTZWUFYQO-UHFFFAOYSA-N 256.262 -0.771 50 20 CBGD O=C(CO)NNC(=O)c1ncoc1[C@H]1CCCO1 1320967182 BXNDMGGUXRBUOA-ZCFIWIBFSA-N 255.230 -0.721 50 20 CBGD Cc1nnc(COCC(=O)NNC(=O)C2CC2)s1 1323499767 CHIKXBIXOYEDSX-UHFFFAOYSA-N 270.314 -0.079 50 20 CBGD Cn1cnc(C(=O)NNc2cccc(S(C)(=O)=O)c2)n1 1324192084 HOYNABKESSBRJD-UHFFFAOYSA-N 295.324 -0.025 50 20 CBGD CS(=O)(=O)CCCCNC(=O)NNc1cccnn1 1329178994 JAVGRAJFBWBCPD-UHFFFAOYSA-N 287.345 -0.073 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)Cc1cn(C)nn1 1329911388 LMUFSUOZSJDRFL-WPRPVWTQSA-N 296.331 -0.587 50 20 CBGD C#CC[C@H](CCOC)NC(=O)NNC(=O)c1cn[nH]c1 1331312065 FEKZMGZARINJPK-SNVBAGLBSA-N 279.300 -0.218 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1339043151 GRYZVAUZRVVFGW-VIFPVBQESA-N 272.326 -0.628 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1cnc[nH]1 1345931659 TVSAREBWBHXYPG-RNFRBKRXSA-N 274.302 -0.856 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)Cc1nnc(C)o1 1350384911 FRGXHQSPRMRKSF-ZETCQYMHSA-N 269.305 -0.244 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1CCSC1 1351340272 BMYCBTKYISRFQV-SSDOTTSWSA-N 255.303 -0.141 50 20 CBGD COCCOCC(=O)NNC(=O)CC1CCOCC1 1352011456 WZGMBPITKUVECK-UHFFFAOYSA-N 274.317 -0.387 50 20 CBGD Cc1cccc(NC(=S)NNC(=O)[C@@H](N)CO)c1 1574165414 HTRGUXVZESLUKT-VIFPVBQESA-N 268.342 -0.368 50 20 CBGD Cn1ccc(NNC(=O)[C@]2(CN)CCCOC2)n1 1579972570 GTNKSHNLDSQGBN-NSHDSACASA-N 253.306 -0.381 50 20 CBGD CN1CCN(C(=O)NNC(=O)CCCCC(=O)O)CC1 1593780901 IBSYCWWXPXUPJZ-UHFFFAOYSA-N 286.332 -0.380 50 20 CBGD Cc1ccsc1S(=O)(=O)NNC(=O)NCC(=O)O 1600610501 VQEWDBOYWNCDFZ-UHFFFAOYSA-N 293.326 -0.366 50 20 CBGD O=C(NNC(=O)C(=O)O)NC1CCC2(CC1)OCCO2 1601552880 MBVVLLANDKDBLL-UHFFFAOYSA-N 287.272 -0.913 50 20 CBGD O=C(O)c1cccc(C(=O)NNC(=O)c2ncccn2)n1 1602433344 QPOPGRKNJJVJJC-UHFFFAOYSA-N 287.235 -0.355 50 20 CBGD O=C(O)C1=NO[C@H](C(=O)NNc2ncncc2Cl)C1 1605969687 FIIKOACMENKZMG-LURJTMIESA-N 285.647 -0.197 50 20 CBGD O=C1CC[C@H](C(=O)NNc2ncccc2C(=O)O)N1 1606561026 WPOYQKBYLRWUHE-SSDOTTSWSA-N 264.241 -0.499 50 20 CBGD COCC(=O)NNC(=O)Nc1cc(C(=O)O)ccn1 1606774193 ISAXZWLBCFLJRZ-UHFFFAOYSA-N 268.229 -0.421 50 20 CBGD CC(=O)NCCNC(=O)NNC(=O)Cc1ccc(F)cc1 10579632 OOOAQTSNYXQKCM-UHFFFAOYSA-N 296.302 -0.165 50 20 CBGD CNC(=O)NNC(=O)c1ccc(C(N)=S)cc1 57292332 YIMRJIKSNFITRX-UHFFFAOYSA-N 252.299 -0.105 50 20 CBGD COCCN(C)CCNC(=O)NNc1ncccn1 171212091 CZOFJXNFPUBCTH-UHFFFAOYSA-N 268.321 -0.319 50 20 CBGD CCC(=O)N1CCCC[C@H]1C(=O)NN(C)C(N)=O 181072658 LOZPWOYHGIQSFB-QMMMGPOBSA-N 256.306 -0.181 50 20 CBGD CN(C)C(=O)CNC(=O)NNc1nc2ccccn2n1 190510154 UMFZJQLERYBCKY-UHFFFAOYSA-N 277.288 -0.556 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)n1C 194791062 BMCRGWOOHVBKHQ-UHFFFAOYSA-N 278.312 -0.283 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc2nccn2c1 277893436 FZDVFLLJQIKXAZ-UHFFFAOYSA-N 262.269 -0.134 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 279832233 QWAHLXHRWDRCJY-VHSXEESVSA-N 292.295 -0.816 50 20 CBGD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CO 495513735 SEEZUUMUXGMYHV-SSDOTTSWSA-N 275.305 -0.571 50 20 CBGD CCN1CCOC[C@@H]1C(=O)Nc1cccc(B(O)O)c1 584913480 XSEDPJAWWFMYJF-GFCCVEGCSA-N 278.117 -0.974 50 20 CBGD CC[C@H](C#N)NC(=O)c1ccc(B(O)O)c(F)c1 584936645 KTERBXZUSDXETG-MRVPVSSYSA-N 250.038 -0.463 50 20 CBGD O=C(NCCOC[C@@H]1CCCO1)c1cccc(B(O)O)c1 584947673 XOYCOBFULHVYCO-ZDUSSCGKSA-N 293.128 -0.708 50 20 CBGD CCN1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H](C)C1 584988263 JMOIKHOCLCUZMC-NSHDSACASA-N 276.145 -0.467 50 20 CBGD CC(C)N1CCC(NCc2ccc(B(O)O)o2)CC1 585014625 AAVSIVNSROAAIT-UHFFFAOYSA-N 266.150 -0.078 50 20 CBGD O=C(NCB(O)O)[C@H](c1cccc(F)c1)N1CCOCC1 585060350 FALXQNHVKIHQPT-LBPRGKRZSA-N 296.107 -0.673 50 20 CBGD O=C(CCN1CCCC1=O)NNC(=O)N1CCOCC1 727737537 USEQWFOVSSLDFD-UHFFFAOYSA-N 284.316 -0.928 50 20 CBGD COCCOCC(=O)NNC(=O)c1scnc1C 729662219 RJJFGADUXDDKHE-UHFFFAOYSA-N 273.314 -0.124 50 20 CBGD O=C(NN=C1CCCS(=O)(=O)C1)N1CCOCC1 731926631 NTLHRKDCUUWGFU-UHFFFAOYSA-N 275.330 -0.407 50 20 CBGD CO[C@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 733199005 PSWIIYGUCPKJRN-JTQLQIEISA-N 255.318 -0.345 50 20 CBGD CC(C)C[C@@H](NC(=O)O)C(=O)NNC(=O)CN(C)C 736416280 OKCKSQOOXPMCBS-MRVPVSSYSA-N 274.321 -0.622 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCCOC1 740853042 SIKXNXGHDFRFNH-VIFPVBQESA-N 285.344 -0.135 50 20 CBGD COC(=O)[C@H](C)CN(C)CC(=O)NNC(=O)C(C)(C)C 744402798 KHPWVPBUWLJVPY-SECBINFHSA-N 287.360 -0.079 50 20 CBGD CC[C@@H](C(=O)NNC(=O)N1CCOCC1)N1CCCC1=O 746184142 GEYRJFIIKYFQHV-JTQLQIEISA-N 298.343 -0.540 50 20 CBGD Cc1cnn(CCC(=O)NNc2nccn(C)c2=O)c1 747941678 BSXPLNCNTDZHBJ-UHFFFAOYSA-N 276.300 -0.181 50 20 CBGD CCO[C@@H](CC)C(=O)NNC(=O)C(=O)N1CCCC1 748239178 FCDUHPRPBHPEFL-VIFPVBQESA-N 271.317 -0.429 50 20 CBGD CO[C@@H](C)CCC(=O)NNC(=O)Cc1cc[nH]n1 755275365 GTEJIKIWPCBSEV-QMMMGPOBSA-N 254.290 -0.085 50 20 CBGD CCn1nc(NC(=O)NNC(=O)CO)cc1C1CC1 756887369 SFHOURHZFCLFGB-UHFFFAOYSA-N 267.289 -0.075 50 20 CBGD CO[C@@H](C(=O)NNC(=O)c1cnn(C)c1)C(C)C 769948965 VVFAXSSQPUMXFY-SECBINFHSA-N 254.290 -0.148 50 20 CBGD CCOC(=O)c1cnc(NNC(=O)c2nc[nH]n2)nc1C 778421470 NOYBQYYUEKRXPI-UHFFFAOYSA-N 291.271 -0.163 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(C)nc1O 784916806 CVRGKKKTIMADDU-UHFFFAOYSA-N 295.299 -0.273 50 20 CBGD CN(C)N(C(=O)[C@H](O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 792849720 LEQUMZVVSGVCRW-UWVGGRQHSA-N 292.401 -0.114 50 20 CBGD CS(=O)(=O)C1(C(=O)NNC(=O)NCC2CC2)CCC1 793208281 VTWMUMPBWSLRAI-UHFFFAOYSA-N 289.357 -0.306 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@H](C(=O)OC)C1CC1 794565807 IVELAAGPIIQYPQ-XCBNKYQSSA-N 271.317 -0.527 50 20 CBGD CC(C)C(=O)NNS(=O)(=O)N1C[C@H]2CC[C@H]1C2 821126987 CRCNDYDTLNENKZ-IUCAKERBSA-N 261.347 -0.008 50 20 CBGD CN1C(=O)CC[C@@H](NC(=O)NNc2cccc(F)n2)C1=O 823906321 YOKKEKKPIPSFNU-SSDOTTSWSA-N 295.274 -0.006 50 20 CBGD C[C@@H](CN(C)CC(=O)NNC(=O)C(C)(C)C)C(=O)O 827442477 MMABZZPFKNQLSC-QMMMGPOBSA-N 273.333 -0.168 50 20 CBGD CCOC(=O)[C@H](C)N(C)CC(=O)NNC(=O)C(C)C 828292486 DCTYJBHBHVSVIX-VIFPVBQESA-N 273.333 -0.327 50 20 CBGD N#Cc1cccc(NNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)c1 830766349 DRSHVCCZXGPJKL-JHJVBQTASA-N 289.291 -0.586 50 20 CBGD COC(=O)C12CC(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)(C1)C2 843658412 KIFJCPHVVLKFGP-GIHOKJNXSA-N 296.323 -0.098 50 20 CBGD CN1CCN(C(=O)NNC(=O)/C=C\[C@H]2CCOC2)CC1 854381055 DSBBXDWKTWILTN-QUCGXOGASA-N 282.344 -0.433 50 20 CBGD CN(C)CCONC(=O)/C(C#N)=C/c1cnn(C)c1 854945057 IAVPNMLUITYABW-IZZDOVSWSA-N 263.301 -0.064 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@@H]2CCC=CO2)N1 858377542 XNSOABLLOZAGGQ-DTWKUNHWSA-N 282.300 -0.712 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NO[C@@H]2CCCCO2)N1 858409952 RIIZQRQFNLQVBF-VXNVDRBHSA-N 286.288 -0.946 50 20 CBGD COC1CC(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1 862096214 VKXODHGPDZQJDF-WOOKNIGNSA-N 256.302 -0.016 50 20 CBGD COCCOCC(=O)NNC(=O)Cc1ccc(OC)cn1 869907018 ZBNSMMJXDCVMSN-UHFFFAOYSA-N 297.311 -0.557 50 20 CBGD COC(=O)c1cc(C(=O)NN(C)C[C@H](C)O)ccn1 910163129 MCPVBSONKQAJDI-QMMMGPOBSA-N 267.285 -0.174 50 20 CBGD Cn1cc(C(=O)CNS(=O)(=O)CCl)cn1 921679423 BTNLQBUGFBWCNT-UHFFFAOYSA-N 251.695 -0.282 50 20 CBGD COCCN(C)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1117485104 JLWARRDUBGPTEI-SEYXRHQNSA-N 296.327 -0.488 50 20 CBGD CCOC1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 1118864356 OSBTYOQPXJIGEP-JTQLQIEISA-N 298.343 -0.493 50 20 CBGD COc1cccc(C(=O)NNc2nccn(C)c2=O)n1 1319482487 QCEYLYGCHCPASG-UHFFFAOYSA-N 275.268 -0.059 50 20 CBGD CNC(=O)NNC(=O)c1cc(OC)c(O)c(OC)c1 1323927814 FBNDUXJHLPXIEM-UHFFFAOYSA-N 269.257 -0.017 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCc2ncccn2)cn1 1324315638 HHXRSKBWQBQYHF-UHFFFAOYSA-N 274.284 -0.396 50 20 CBGD COc1cc(C(=O)NNC(=O)C(C)(C)O)ccn1 1326461637 WCNMPTXPZPSQFN-UHFFFAOYSA-N 253.258 -0.378 50 20 CBGD Cc1onc(N)c1S(=O)(=O)NNC(=O)C1CCC1 1328627008 DMZLAOPLPPQTSG-UHFFFAOYSA-N 274.302 -0.325 50 20 CBGD COCCOCC(=O)NNC(=O)Cc1c(C)nn(C)c1C 1329552693 YRIXCTCEEFLEFI-UHFFFAOYSA-N 298.343 -0.610 50 20 CBGD N#CCC1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 1331531162 GYRKSVJCQPFWSH-JTQLQIEISA-N 293.327 -0.369 50 20 CBGD C[C@@](O)(C(=O)NNC(=O)C(=O)Nc1ccccn1)C1CC1 1346044774 RQWLERKNKNMENR-ZDUSSCGKSA-N 292.295 -0.672 50 20 CBGD Cn1cc(NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cn1 1352767045 AHZKROXTVVCBEI-JTQLQIEISA-N 287.345 -0.377 50 20 CBGD Cc1nccn1CC(=O)NNC(=O)C1CCOCC1 1354183697 ZYVJXSPOESNCPX-UHFFFAOYSA-N 266.301 -0.234 50 20 CBGD COC(=O)[C@H]1C[C@@H](C(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1 1358353047 GTOUPAAWEPZZHM-QEYWKRMJSA-N 284.312 -0.242 50 20 CBGD CC(C)[C@H](N)C(=O)NCCC(=O)NNC(=O)C(C)(C)C 1575442504 TUGHBEKCFNMXQH-JTQLQIEISA-N 286.376 -0.331 50 20 CBGD NC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ncccc1C(=O)O 1594648072 QTCOZCPLDNFRMS-RQJHMYQMSA-N 264.241 -0.656 50 20 CBGD O=C(CC1CC1)NNC(=O)CN1CCC[C@H](C(=O)O)C1=O 1601248925 XLSLDBXANKNKMI-VIFPVBQESA-N 297.311 -0.743 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1csc(C(=O)O)n1 1604203084 NQMHJLJCDTVBFL-RXMQYKEDSA-N 259.287 -0.201 50 20 CBGD Cc1nnc(NNC(=O)c2ccc(C(=O)O)[nH]2)n1C 1608018479 HPTBEWBWHARHSS-UHFFFAOYSA-N 264.245 -0.093 50 20 CBGD O=C(CSc1ncc(C(=O)O)[nH]1)NNC(=O)C1CC1 1610672780 QTJYDNDVQUCYCE-UHFFFAOYSA-N 284.297 -0.243 50 20 CBGD NC(=O)NCc1ccc(C(=O)NNC(=O)NC2CC2)cc1 138662443 FHXAOGSZZADOLJ-UHFFFAOYSA-N 291.311 -0.039 50 20 CBGD CC1CCN(CC(=O)NNc2nccn(C)c2=O)CC1 156254728 JVLLIQYSHAPBAK-UHFFFAOYSA-N 279.344 -0.045 50 20 CBGD O=C(CO)NNC(=O)COc1ccc2c(c1)CCC2 180944829 WQSHBSFUZDRROY-UHFFFAOYSA-N 264.281 -0.306 50 20 CBGD CC(C)CNC(=O)/C(C#N)=C/c1cn(C)c(=O)n(C)c1=O 193112397 GCLPTBBOLYGJTG-BJMVGYQFSA-N 290.323 -0.237 50 20 CBGD CCS(=O)(=O)NCCNC(=O)NNc1cccnn1 265474969 MMHSJWRQEOQIDB-UHFFFAOYSA-N 288.333 -0.958 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)Cn1ccc(O)nc1=O 268942576 FUWZPRYBSJGJNK-UHFFFAOYSA-N 284.272 -0.495 50 20 CBGD COc1cccc(NNC(=O)CN2C(=O)CN(C)C2=O)n1 272959214 JKLYPLXCLLQPPC-UHFFFAOYSA-N 293.283 -0.573 50 20 CBGD COc1ccc(NNC(=O)CCn2ncn(C)c2=O)nc1 294389256 DVKWVCPDEVVIEM-UHFFFAOYSA-N 292.299 -0.481 50 20 CBGD O=C(NC[C@H]1CCCO1)c1cc(B(O)O)ccc1F 584923692 LELFIZIAYLSHPN-SECBINFHSA-N 267.065 -0.586 50 20 CBGD O=C(NC[C@H](O)C(F)(F)F)c1ccc(B(O)O)c(F)c1 584960181 JDFIKVBLCKSCGO-QMMMGPOBSA-N 294.997 -0.842 50 20 CBGD CCC1(CO)CN(C(=O)c2ccc(B(O)O)c(F)c2)C1 585000095 JGFSGVFMZHCXMU-UHFFFAOYSA-N 281.092 -0.650 50 20 CBGD CC[C@@](C)(CNC(=O)c1cccc(B(O)O)c1)OC 585000750 ZYZGDSRHGUSCLY-ZDUSSCGKSA-N 265.118 -0.089 50 20 CBGD CCN1CC[C@H](CNCc2ccc(B(O)O)cc2F)C1 585017075 KLCWGIYQLHQHGL-LLVKDONJSA-N 280.152 -0.063 50 20 CBGD CC(C)c1ncc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)[nH]1 585059097 YYGSFWRKHZCMBE-MRVPVSSYSA-N 287.150 -0.230 50 20 CBGD O=C(NCB(O)O)[C@H]1CC(=O)N(c2ccccc2)C1 585060694 IEFZYIZDQQMDEU-VIFPVBQESA-N 262.074 -0.832 50 20 CBGD CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](B(O)O)C1 585065247 WHVRLHCTZUIKEF-QWRGUYRKSA-N 297.164 -0.356 50 20 CBGD CC(C)C(=O)NNC(=O)NCC(C)(C)NS(C)(=O)=O 731688108 WLYSYEGBYIOWEG-UHFFFAOYSA-N 294.377 -0.699 50 20 CBGD CC[C@H](C(=O)NNC(=O)C(=O)NC(C)C)N(CC)CC 746103139 HPXMZPLMRQDEQV-SNVBAGLBSA-N 286.376 -0.221 50 20 CBGD COCCO[C@H](C)C(=O)NN=C(C)CS(C)(=O)=O 748252463 FHGUESUNAWKPFO-SECBINFHSA-N 280.346 -0.425 50 20 CBGD CC(C)CC(=O)NNS(=O)(=O)c1cn(C)cn1 751264599 WLVAHNUNGUPRKB-UHFFFAOYSA-N 260.319 -0.224 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)NC2)o1 752780735 HCDHRTFWWUNOAF-MRVPVSSYSA-N 265.269 -0.125 50 20 CBGD C[C@@H]1Oc2c(cccc2C(=O)NNC(=O)CO)NC1=O 753438653 PJAXIWFBOPTZKP-LURJTMIESA-N 279.252 -0.841 50 20 CBGD O=C(CO)NNC(=O)CNC(=O)c1cc2ccccc2[nH]1 753444365 LMSLYQAQFUPWOF-UHFFFAOYSA-N 290.279 -0.963 50 20 CBGD COc1ccnc(NNC(=O)Cn2cc([C@H](C)O)nn2)n1 762972601 GJAYOQRKLURWPG-ZETCQYMHSA-N 293.287 -0.727 50 20 CBGD CO[C@@]1(CNC(=O)NNc2ncccn2)CCOC1 764802722 BWKFFTSLCUQABQ-LLVKDONJSA-N 267.289 -0.092 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)COCC1CC1 772015766 JPIWYSPXRHGJAF-MRVPVSSYSA-N 272.301 -0.098 50 20 CBGD C[C@@H]1CCN(S(=O)(=O)NNC(=O)N2CCOCC2)C1 777930901 ODLBPRXLJYKQLT-SECBINFHSA-N 292.361 -0.881 50 20 CBGD Cc1ccn(C)c1C(=O)NNC(=O)C(=O)NC(C)C 784310730 NJARYOQLDSHRQH-UHFFFAOYSA-N 266.301 -0.381 50 20 CBGD CCS(=O)(=O)CC(C)=NNC(=O)C(C)(C)O 785461830 YXCWQELELNFOML-UHFFFAOYSA-N 250.320 -0.316 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CCC[C@H](C(N)=O)C1 786826675 GBUKGVDQFWGISQ-YUMQZZPRSA-N 256.306 -0.372 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCOC(F)(F)F)cn1 788846418 SNUJLAZUDPUJDV-UHFFFAOYSA-N 295.221 -0.100 50 20 CBGD COc1cncc(C(=O)NNC(=O)N2CCOCC2)n1 790534632 SPIQLLRVGGARKU-UHFFFAOYSA-N 281.272 -0.828 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)NCC(F)(F)F 798313378 GPVWBAHPEKXLQT-YFKPBYRVSA-N 284.238 -0.206 50 20 CBGD CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)NN(C)C1CC1 819652598 WXKSNAUZDIMEIX-SNVBAGLBSA-N 284.360 -0.482 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]21 823425603 YFHBVALEGHAHDQ-HLTSFMKQSA-N 268.317 -0.359 50 20 CBGD CCCCNC(=O)NNC(=O)C1(n2cnnn2)CC1 823763541 XGDNLFVIYJQUJC-UHFFFAOYSA-N 267.293 -0.707 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@](C)(C(=O)O)C1 826134944 KTJQWSZOHJNMDR-ZDUSSCGKSA-N 285.344 -0.024 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1nc[nH]n1 826447364 BRFUTYXFCTWMGB-UHFFFAOYSA-N 271.244 -0.258 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)[C@H](O)C1CC1 826774507 VEPQLFLFABMVQM-GFCCVEGCSA-N 280.280 -0.311 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccnn1C 831661797 NQKVNNGAZNCWFN-YUMQZZPRSA-N 267.289 -0.002 50 20 CBGD C=C[C@H](C)ONC(=O)NNC(=O)CNC(=O)c1ccco1 845642898 VHUWNDYHGWKRMB-QMMMGPOBSA-N 296.283 -0.154 50 20 CBGD O=C(NNc1cccnc1Cl)[C@@H]1CCS(=O)(=O)N1 846256261 JQHGZFGDVYNZTE-ZETCQYMHSA-N 290.732 -0.130 50 20 CBGD CCOCCCNC(=S)NNC(=O)c1cc[nH]n1 849276335 HMUXLNNYCGFRQF-UHFFFAOYSA-N 271.346 -0.055 50 20 CBGD CS(=O)(=O)N1CCC(=NNC(=O)c2cc[nH]n2)CC1 853393067 SBLFXJBPHPCUCA-UHFFFAOYSA-N 285.329 -0.449 50 20 CBGD C[C@H](NC(=S)NNC(=O)CCn1cncn1)C1CC1 855102739 MWRDSMVIJQMTQQ-QMMMGPOBSA-N 282.373 -0.038 50 20 CBGD CC1(CCNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 858408515 UZEACVZVLONYIW-QMMMGPOBSA-N 268.317 -0.214 50 20 CBGD CC[C@H](C)CN(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858695041 CIGQTHFEJLNPLG-IUCAKERBSA-N 270.333 -0.016 50 20 CBGD CCn1cc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 860329752 GPWGXIJGOKSYGC-MRVPVSSYSA-N 280.288 -0.666 50 20 CBGD O=C(CC1(O)CCCCC1)NNC(=O)[C@@H]1CCC(=O)N1 862454965 LUZIAVNIONPURT-VIFPVBQESA-N 283.328 -0.502 50 20 CBGD CC(C)c1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)n(C)n1 862455532 GPIMGWKHDTZRQY-MRVPVSSYSA-N 293.327 -0.417 50 20 CBGD CCCc1nc(C)c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)o1 862460796 GRKMKZKRSYLTJQ-MRVPVSSYSA-N 294.311 -0.025 50 20 CBGD C[C@]1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCCCO1 862460922 LHLHOSSYEALHCJ-QPUJVOFHSA-N 269.301 -0.628 50 20 CBGD CC1(C)CC(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 862461952 NIMRSQCFJLNVEN-QMMMGPOBSA-N 253.302 -0.151 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CCN2C2CCCC2)N1 862467018 KSEXRNYIRRRCJS-WDEREUQCSA-N 294.355 -0.571 50 20 CBGD CC1(C)C[C@H](NC(=O)c2ccc(B(O)O)cc2)C(=O)O1 863878004 MHVSRNGZFKVAIU-JTQLQIEISA-N 277.085 -0.810 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CO[C@@H](C)C1 869906528 NJMUZPAPSJFYFX-IUCAKERBSA-N 260.290 -0.778 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)cn1 906732423 VNOLTYGRLNSOSV-UJNFCWOMSA-N 262.269 -0.594 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CCC(=O)c1cnn(C)c1 910149315 CEGVHANRWCXJDP-SECBINFHSA-N 268.317 -0.273 50 20 CBGD C[C@H](O)CN(C)NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 910183920 UTPRFMIAXHWMQT-HBNTYKKESA-N 297.355 -0.495 50 20 CBGD COc1cc(OC)nc(C(=O)NN(C)C[C@@H](C)O)n1 910184740 VEXAGRTXFCHLEF-SSDOTTSWSA-N 270.289 -0.549 50 20 CBGD COc1ccc(S(=O)(=O)NNC(C)=O)cc1C(=O)O 917717836 LSNOWYKJSIHGBW-UHFFFAOYSA-N 288.281 -0.277 50 20 CBGD CCNC(=O)NNC(=O)CSc1cccc[n+]1[O-] 1115897460 DFXCBKVJFWIHHK-UHFFFAOYSA-N 270.314 -0.238 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2C[C@H]3[C@H](C2)C3(F)F)N1 1118864174 LVFKXANCOJJZRS-LYFYHCNISA-N 288.254 -0.797 50 20 CBGD C[C@H](C(=O)NNC(=O)OCC(F)(F)F)S(C)(=O)=O 1261754803 LIOMPRFTONWMCD-SCSAIBSYSA-N 292.235 -0.261 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@]1(C)CCO[C@@H]1C1CC1 1320413884 QRVIZZIDIAIHCK-RNCFNFMXSA-N 299.327 -0.305 50 20 CBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(OC)ncn1 1321153893 IEVRNDZJUKRRLJ-ZETCQYMHSA-N 295.299 -0.383 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCn2ccnc2)cn1 1322976610 VYIJBMQPKXYHLE-UHFFFAOYSA-N 277.288 -0.739 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)CS(C)(=O)=O 1323452022 VEJVHAZIJCCUAY-LURJTMIESA-N 288.329 -0.840 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 1329771145 PWDUYUBFQBPJRC-IUCAKERBSA-N 286.332 -0.732 50 20 CBGD N#CCCCCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331692226 VNUZKWPPMKLFPB-VIFPVBQESA-N 266.301 -0.114 50 20 CBGD O=C(NNC(=O)[C@@]12CCC[C@@H]1C2)[C@H]1CCS(=O)(=O)C1 1334107034 BUZHBJQYVXWVGW-YGOYTEALSA-N 286.353 -0.241 50 20 CBGD COC[C@@H](OC)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1334820684 JRCABWNQUKUZJZ-VHSXEESVSA-N 294.373 -0.860 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cn(C2CCOCC2)nn1 1350779044 WUFCXYICHQJJMG-SECBINFHSA-N 283.332 -0.413 50 20 CBGD COc1nccnc1NNC(=O)C[C@H]1CC(=O)N1 1351033192 NKOYOPRGFJBRDK-ZCFIWIBFSA-N 251.246 -0.793 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2ccoc2)N1 1351328538 FWYJKMFKBARIKJ-MRVPVSSYSA-N 266.257 -0.611 50 20 CBGD COC[C@H](C)NC(=S)NNC(=O)c1cn[nH]c1 1351653556 PFCISLDYIDEZHK-LURJTMIESA-N 257.319 -0.447 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H](C(C)C)[C@@H](C)N 1579016369 FWDHZRHXBLZCFI-ZJUUUORDSA-N 274.365 -0.027 50 20 CBGD O=C(NNC(=O)[C@@H]1CC(c2ccccc2)=NO1)[C@@H]1CCN1 1580732797 JTNMJLJJSKCPJV-JQWIXIFHSA-N 288.307 -0.311 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@]12CCCNC2)c1cnsn1 1580732827 KIRCVCMIDNGZEK-HQJQHLMTSA-N 281.341 -0.311 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)C1(C(=O)O)CCC1 1605814783 SXGJVXGDORXGAD-UHFFFAOYSA-N 278.268 -0.089 50 20 CBGD Cc1oc(C(=O)O)cc1C(=O)NNC(=O)c1cnn[nH]1 1608034402 YVGHUHCJYNFNKC-UHFFFAOYSA-N 279.212 -0.521 50 20 CBGD O=C(NNC(=O)C1CCNCC1)N[C@@H]1CC=C(C(=O)O)C1 1608477015 DWAJLKNIDNMEJZ-SNVBAGLBSA-N 296.327 -0.510 50 20 CBGD C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNC(=O)C(=O)O 1609226217 IQOUSKFPZSHQRS-SFYZADRCSA-N 271.273 -0.617 50 20 CBGD O=C(O)C(=O)NNC(=S)NCCc1ccc(F)cc1 1610714297 NGDJZTYAIXEKRR-UHFFFAOYSA-N 285.300 -0.052 50 20 CBGD Cn1cc(C(=O)O)cc1C=NNC(=O)c1ccc(O)nn1 1776047950 VSJJIIFCDDPOQA-UHFFFAOYSA-N 289.251 -0.017 50 20 CBGD O=C(CBr)N[C@@H]1CCS(=O)(=O)C1 41737794 FHHIVZJREYSLIJ-RXMQYKEDSA-N 256.121 -0.315 50 20 CBGD Cc1cnn(CCNC(=O)NNC(=O)[C@@H]2CCCO2)c1 118081997 BJYCLUYELORNAT-JTQLQIEISA-N 281.316 -0.299 50 20 CBGD CN(C)C(=O)NCCNS(=O)(=O)CCCCl 133478752 VJIYYZZZRGIJGD-UHFFFAOYSA-N 271.770 -0.194 50 20 CBGD CN(NC(=O)CCn1nnc2ccccc2c1=O)C(N)=O 271256017 FYAASQHXIWKDBO-UHFFFAOYSA-N 290.283 -0.777 50 20 CBGD CCS(=O)(=O)NCC(=O)NNc1nc2ccccn2n1 276890188 XSPWEGVLSYFIIQ-UHFFFAOYSA-N 298.328 -0.888 50 20 CBGD O=C(CC1CC1)NNC(=O)Cn1nc2ccccn2c1=O 294050436 FPOMUTRPFUPBKJ-UHFFFAOYSA-N 289.295 -0.557 50 20 CBGD C[C@@H](C[S@@](C)=O)N(C)Cc1ccccc1B(O)O 399911235 ATROJABJMNYXSC-XTZNXHDOSA-N 269.175 -0.435 50 20 CBGD CCO/C=C(\C#N)C(=O)N(CC)[C@@H]1CC(=O)NC1=O 491129081 FZXVTEXYJBJXFA-FCZSHJHJSA-N 265.269 -0.306 50 20 CBGD CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1ccc(B(O)O)cc1 584969791 XKGRSUIIENVIRP-RYUDHWBXSA-N 290.128 -0.989 50 20 CBGD C[C@@H](O)CCCNC(=O)c1cccc(B(O)O)c1 584981927 CONOWUDFMYAVIP-SECBINFHSA-N 251.091 -0.743 50 20 CBGD OB(O)c1ccccc1CNC[C@H]1CN2CCC[C@@H]2CO1 585022403 NJZIVKLRVOWKPY-KGLIPLIRSA-N 290.172 -0.681 50 20 CBGD CC[C@H](C)[C@@H](O)CNCc1ccc(B(O)O)cc1 585023947 OMMHVZXISZAIGO-GWCFXTLKSA-N 251.135 -0.137 50 20 CBGD OB(O)c1cccc(CNCCCN=c2cc[nH]cc2)c1 585025707 ANJRQSJOQVDPHS-UHFFFAOYSA-N 285.156 -0.225 50 20 CBGD CC(C)(C)N1C[C@H](NCc2ccc(B(O)O)o2)CC1=O 585027308 ZOJRDQRPKWWVKA-SECBINFHSA-N 280.133 -0.552 50 20 CBGD C[C@@H](CCN1CCOCC1)NCc1ccc(B(O)O)cc1 585033128 YGDYAFMFZRILPK-ZDUSSCGKSA-N 292.188 -0.433 50 20 CBGD CC(=O)NC(C)(C)C(=O)NNC(=O)c1ccc[nH]1 726768404 RSJIBHKNAIPIPE-UHFFFAOYSA-N 252.274 -0.310 50 20 CBGD C=CCNC(=S)NNC(=O)CCN1CCCC1=O 727864251 BMVWNKIZHAJEFG-UHFFFAOYSA-N 270.358 -0.320 50 20 CBGD CNC(=O)NNC(=O)c1cccc2c1O[C@@H](C)C(=O)N2 729341242 OVNKUKYEXFKTHI-LURJTMIESA-N 278.268 -0.020 50 20 CBGD CCC(=O)NNS(=O)(=O)c1ccc(C(=O)OC)o1 730765615 KXIXWWSXOQQGQG-UHFFFAOYSA-N 276.270 -0.214 50 20 CBGD CN(CC(=O)NNc1ccnc(N(C)C)n1)C(=O)O 737393454 MYEDUKPJTYXCER-UHFFFAOYSA-N 268.277 -0.405 50 20 CBGD CCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)[C@@H]1CCOC1 741841879 GNAXECNHFCCDEA-DTWKUNHWSA-N 291.373 -0.157 50 20 CBGD O=C(COC[C@@H]1CCCO1)NNC(=O)Cc1ccncc1 747324764 NGDHYVVMSVJBDG-LBPRGKRZSA-N 293.323 -0.033 50 20 CBGD NC(=O)c1ccc(NNC(=O)CC2(O)CCCC2)nn1 749262338 LOBPAQNWKQUOGD-UHFFFAOYSA-N 279.300 -0.286 50 20 CBGD CCC(=O)NNS(=O)(=O)c1cc(C(=O)O)ccc1O 751203177 QYYVABBNXIIKHH-UHFFFAOYSA-N 288.281 -0.190 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)[C@H]2CCC(=O)NC2)n1 753458231 XSNGFFUQTFTWPX-YFKPBYRVSA-N 284.707 -0.319 50 20 CBGD Cn1cc(C(=O)NNC(=O)Nc2nn(C)cc2C#N)cn1 756873396 YBGWVBLUVCFESB-UHFFFAOYSA-N 288.271 -0.508 50 20 CBGD CCC(CC)NC(=O)C(=O)NN=C1CCN(C)C1=O 761809071 DCNHSJJYOZXEBE-UHFFFAOYSA-N 268.317 -0.375 50 20 CBGD C[C@H]1CN(C)CC1=NNC(=O)CNC(=O)c1cccnc1 763204296 LEGWRXJUDHJJHE-JTQLQIEISA-N 289.339 -0.135 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H](C)OC 772065434 RLYXIYZNJXXNNL-SFYZADRCSA-N 260.290 -0.100 50 20 CBGD COC(=O)c1ccccc1NNC(=O)[C@H](C)NC(N)=O 775892943 ZUTGTJXZIUSXMT-ZETCQYMHSA-N 280.284 -0.027 50 20 CBGD COC(=O)CNC(=O)NN=Cc1ccccc1C(N)=O 788724664 CNXBHWKCJXZVCL-UHFFFAOYSA-N 278.268 -0.408 50 20 CBGD COCCCNC(=O)NNC(=O)C1CCC(O)CC1 792082883 BETHXDGVAPYXKP-UHFFFAOYSA-N 273.333 -0.096 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H](O)Cc2ccccc2)cn1 793526526 NSYWCVXKFBNHCJ-LBPRGKRZSA-N 288.307 -0.215 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@](C)(O)C1CC1 804398396 WWNCHIFTAWMJSK-CYBMUJFWSA-N 285.344 -0.400 50 20 CBGD CN1CCN(C(=O)NNC(=O)C[C@](C)(O)C2CC2)CC1 807381495 XAIFWOMGKPLPBG-ZDUSSCGKSA-N 284.360 -0.474 50 20 CBGD COCCN(C)NC(=O)CC1(CS(C)(=O)=O)CC1 808074129 YYGBITCJHLNCIC-UHFFFAOYSA-N 278.374 -0.189 50 20 CBGD O=C(Cc1cc[nH]n1)NN=C1CCS(=O)(=O)C1 814954046 TVRBTMBNGAZUHD-UHFFFAOYSA-N 256.287 -0.757 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](O)CC1 815299263 UWZIFMFNHYMDLN-VHSXEESVSA-N 257.334 -0.221 50 20 CBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)c1cccnc1 816817395 ASHMFCZZGDULBB-BDAKNGLRSA-N 262.269 -0.646 50 20 CBGD CC(C)(F)CCNC(=O)NNC(=O)C(=O)NC1CC1 822093917 BJTPECGBOORNKG-UHFFFAOYSA-N 274.296 -0.266 50 20 CBGD Cc1cc(NNC(=O)[C@H](C)N2CCN(C)CC2)nc(N)n1 828367510 RDTZMKSWZRNHEJ-JTQLQIEISA-N 293.375 -0.554 50 20 CBGD COCCCNC(=S)N(C)NC(=O)c1[nH]nnc1C 854284786 YFZBGHKPKCOATP-UHFFFAOYSA-N 286.361 -0.399 50 20 CBGD COC[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(C)C 858246685 BLAIIWPAASQFOH-BDAKNGLRSA-N 286.332 -0.734 50 20 CBGD COC[C@H](NC(=O)NNC(=O)c1cn[nH]c1)C1CC1 858311829 OEEINADAITXAAG-VIFPVBQESA-N 267.289 -0.221 50 20 CBGD CCO[C@@H]1COC[C@H]1NC(=O)NNC(=O)c1cn[nH]c1 858524401 MKZINJFZLIKQMK-RKDXNWHRSA-N 283.288 -0.842 50 20 CBGD CCN(C[C@H]1CCCO1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858699382 PIHNKJGWPZHKPS-NXEZZACHSA-N 298.343 -0.493 50 20 CBGD O=C(CC1CCSCC1)NNC(=O)[C@@H]1CCC(=O)N1 862455990 LIURONQAOZDFIU-VIFPVBQESA-N 285.369 -0.054 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2coc(C3CC3)n2)N1 862460301 FGPLUVBVCLZGAC-ZETCQYMHSA-N 278.268 -0.408 50 20 CBGD COCCOCC(=O)NNC(=S)NCC1CC1 865244736 VRQWQCZLWWIMFW-UHFFFAOYSA-N 261.347 -0.445 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@]1(C)CCOC1 869908087 WNXSAHOEVAKENV-NSHDSACASA-N 260.290 -0.777 50 20 CBGD O=C(CN1CCCCS1(=O)=O)NNc1ccccn1 879394582 LAFFIUOOROZXFB-UHFFFAOYSA-N 284.341 -0.050 50 20 CBGD O=C1CN(CC(=O)NNc2ncccc2F)CCN1 908126808 JHWMWRUVMQTCAH-UHFFFAOYSA-N 267.264 -0.904 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)C(N)=O)cc1C 917358842 SVQDBSGBXASUNE-UHFFFAOYSA-N 265.269 -0.685 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccccc1F 919678145 OZGKOCJEGLQRSN-UHFFFAOYSA-N 274.273 -0.369 50 20 CBGD Cc1nc(C)c(CCC(=O)NNC(=O)CN(C)C)c(O)n1 1116062307 PAKDYEDMYKJMIC-UHFFFAOYSA-N 295.343 -0.559 50 20 CBGD O=C(C[C@H]1CC(=O)N1)NNc1nc(-c2ccncc2)no1 1118575779 NKYWRUTUQANSRN-MRVPVSSYSA-N 288.267 -0.147 50 20 CBGD COc1cccnc1CC(=O)NNc1cnnn1C 1261245471 DETTXSZYCWIQKB-UHFFFAOYSA-N 262.273 -0.096 50 20 CBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)OC(C)(C)C 1263700466 XPUKTMIYYJFVNH-VHSXEESVSA-N 284.360 -0.069 50 20 CBGD CCCCOCCCNC(=O)NNC(=O)C(=O)OC 1319004829 XXKOYTPJIASKMT-UHFFFAOYSA-N 275.305 -0.303 50 20 CBGD COC(=O)C(=O)NN=Cc1ccc2c(c1)oc(=O)n2C 1320869321 OKBGRNDVUCHUTH-UHFFFAOYSA-N 277.236 -0.245 50 20 CBGD CN(NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C1CC1 1326637955 RWXGJKXRVADKOQ-SNVBAGLBSA-N 275.374 -0.769 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@@H]1CCc2nncn2C1 1327790551 XBZFGAUQLYKWOC-SECBINFHSA-N 278.316 -0.419 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1c(Cl)cnn1C 1330118087 DBHDOONCEWJUPJ-UHFFFAOYSA-N 287.707 -0.641 50 20 CBGD COC(=O)CCn1nc(C)c(C=NNC(=O)CCO)c1C 1330903199 OEEQCAZVOIIMKO-UHFFFAOYSA-N 296.327 -0.104 50 20 CBGD Nc1cnnc(NNC(=O)C[C@@H]2CNCCO2)c1Cl 1332450862 DZXWPEABZKRLEH-ZCFIWIBFSA-N 286.723 -0.466 50 20 CBGD N#CC[C@H]1CCCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 1334930609 MSSQFGFMCSCYNF-ZJUUUORDSA-N 293.327 -0.369 50 20 CBGD CN1CCCC[C@@H]1CNC(=O)NNC(=O)C1CCNCC1 1338782620 UUCVCMUWWONWQJ-GFCCVEGCSA-N 297.403 -0.199 50 20 CBGD COCc1nn(C)cc1C(=O)NN(C)C[C@@H](C)O 1339539444 MAUROBJIDRJOSU-MRVPVSSYSA-N 256.306 -0.476 50 20 CBGD CC(C)(C)C(=O)NCCC(=O)N1CC[C@@H](B(O)O)C1 1351729887 QABBCGAFIQQFPV-SECBINFHSA-N 270.138 -0.386 50 20 CBGD CN1CCCC[C@@H](C(=O)NNC(=O)[C@@H]2CCCNC2)C1=O 1578528040 BMTTZEOHUNJHBR-MNOVXSKESA-N 296.371 -0.608 50 20 CBGD Cc1cc(NNC(=O)[C@@]23CNC[C@@H]2COC3)ncn1 1579637968 LBUQGWRSTBMEBB-BXKDBHETSA-N 263.301 -0.536 50 20 CBGD C[C@H]1C[C@H](C(=O)O)CN(CC(=O)NNC(=O)C2CC2)C1 1589278448 FRWGEEBVBZFFCG-WPRPVWTQSA-N 283.328 -0.414 50 20 CBGD CC(C)NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)n1C 1589724833 YQVWPQDFWGFRRZ-UHFFFAOYSA-N 292.303 -0.442 50 20 CBGD COC[C@H](NC(=O)NNC(=O)C(=O)O)c1ccccc1 1599172941 FZPCAZUYLLFTEX-VIFPVBQESA-N 281.268 -0.211 50 20 CBGD Cc1nc(CCNC(=O)NNC(=O)C(=O)O)sc1C 1600699249 UPDAQOXSVYXNFZ-UHFFFAOYSA-N 286.313 -0.283 50 20 CBGD O=C(NC[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12)NNC(=O)C(=O)O 1601478608 IEWASFJANSWJDU-OFPUPOEVSA-N 267.285 -0.307 50 20 CBGD O=C(O)[C@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 1602211948 NMKCVYCGCFRQGL-QMMMGPOBSA-N 295.075 -0.558 50 20 CBGD C[C@@H](C(=O)O)n1cccc1C=NNC(=O)C(N)=O 1603222055 VWLHQTGTZXEYTN-LURJTMIESA-N 252.230 -0.931 50 20 CBGD CC[C@H](CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C)C(=O)O 1603560460 AEJFMSVCFWPJOT-YIZRAAEISA-N 287.316 -0.147 50 20 CBGD CS(=O)(=O)CC(=O)NN=C1CCC(C(=O)O)CC1 1604913821 IBRSERICVFRBEH-UHFFFAOYSA-N 276.314 -0.222 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H](C(=O)O)C(C)C)n[nH]1 1605120688 MVRPYRIABZNUQT-QMMMGPOBSA-N 268.273 -0.164 50 20 CBGD CCN1C[C@H](C(=O)NNC(=O)NC2CC2)CC1=O 49150540 BIXNFXIRILRFMG-SSDOTTSWSA-N 254.290 -0.652 50 20 CBGD O=C(Cn1cc(C2CC2)nn1)NNC(=O)c1ccc[nH]1 159205767 PSWUHVRCHXPPLW-UHFFFAOYSA-N 274.284 -0.055 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)c2ccc(C)cc2O)CC1 264366417 ICUYLXUEXZZTOK-UHFFFAOYSA-N 291.307 -0.012 50 20 CBGD COCCCNC(=O)NNC(=O)C1(C(=O)OC)CC1 274301372 CALPOEQQERMCKU-UHFFFAOYSA-N 273.289 -0.694 50 20 CBGD CCOc1ccc(S(=O)(=O)NNC(C)=O)cn1 274772131 VEGFNJAIMQTXQE-UHFFFAOYSA-N 259.287 -0.190 50 20 CBGD COCCN(C)NC(=O)c1cnc(O)c([N+](=O)[O-])c1 293711224 UTXWHIMKTLGMGP-UHFFFAOYSA-N 270.245 -0.082 50 20 CBGD O=C1NCCCN1NS(=O)(=O)CBr 306380065 QQUVOXDBMXKOCK-UHFFFAOYSA-N 272.124 -0.412 50 20 CBGD CCN1CCO[C@@H](C(=O)NNC(=O)c2ccc[nH]2)C1 362997851 OVPPTZSWWONIQB-SNVBAGLBSA-N 266.301 -0.504 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCN(C(=O)CO)CC1 490812620 LWHOMXZGLIWNNF-MDZDMXLPSA-N 267.285 -0.907 50 20 CBGD Cc1nc(CN(C)C(=O)c2ccc(B(O)O)cc2)no1 584971388 RBGPBQOQCUXPFK-UHFFFAOYSA-N 275.073 -0.670 50 20 CBGD CC(C)(O)CN(C(=O)c1ccc(B(O)O)c(F)c1)C1CC1 584973341 GDHNMHFLOBHPMT-UHFFFAOYSA-N 295.119 -0.119 50 20 CBGD O=C(NCC1(CO)CCC1)c1ccc(B(O)O)c(F)c1 584974743 JQUHCCNLVJXMQN-UHFFFAOYSA-N 281.092 -0.602 50 20 CBGD C[C@@H](CCCCO)NC(=O)c1ccc(B(O)O)c(F)c1 584994508 AEAAWAGZKBMNBU-VIFPVBQESA-N 283.108 -0.214 50 20 CBGD CC[C@H](O)[C@H](CC)NC(=O)c1ccc(B(O)O)c(F)c1 584997163 WTCQEMZPSKMTAE-RYUDHWBXSA-N 283.108 -0.215 50 20 CBGD OB(O)c1ccccc1CNCCCN1CCOCC1 585014307 NKGJGVUGEWIFNF-UHFFFAOYSA-N 278.161 -0.822 50 20 CBGD COCCOCCNCc1ccc(B(O)O)cc1F 585018628 NVNSSDXNCPMOIX-UHFFFAOYSA-N 271.097 -0.742 50 20 CBGD COCC[C@@](C)(O)CNCc1cccc(B(O)O)c1 585023364 KIZRRMQEPZBUCH-CYBMUJFWSA-N 267.134 -0.757 50 20 CBGD CN(C)C(=O)[C@H]1CCC[C@H](NCc2ccc(B(O)O)o2)C1 585030213 XWELEHVMLQAAOV-QWRGUYRKSA-N 294.160 -0.304 50 20 CBGD CC[C@@](C)(CO)CNCc1ccc(B(O)O)cc1 585030517 URQVISGEOLVPGL-CYBMUJFWSA-N 251.135 -0.135 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCO[C@]3(CCOC3)C2)o1 585034449 LCYZSPCOMUKSRU-ZWNOBZJWSA-N 281.117 -0.613 50 20 CBGD Cc1noc([C@H](C)NCc2cccc(B(O)O)c2)n1 585038298 ZEYDZYDVHDWDDX-QMMMGPOBSA-N 261.090 -0.091 50 20 CBGD NC(=O)CCCCc1nc(-c2ccc(B(O)O)cc2)no1 585055148 RVSXQMYBIJNYHB-UHFFFAOYSA-N 289.100 -0.386 50 20 CBGD C[C@@H]1Sc2ccc(C(=O)NCB(O)O)cc2NC1=O 585055723 DGVIFZUGFZITBM-LURJTMIESA-N 280.114 -0.139 50 20 CBGD O=C(NNC(=O)c1ccc[nH]1)c1ccc2c(c1)C(=O)NC2=O 729512982 ZSRIFARHADKSMG-UHFFFAOYSA-N 298.258 -0.027 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)NCCCOC)CCC1 729968520 UXXUAXJMAXYSMK-UHFFFAOYSA-N 286.332 -0.730 50 20 CBGD C[C@@H](C(=O)NNC(=O)C1CCC1)N1C(=O)CCC1=O 732141098 HWRWCYPLOGGOEG-ZETCQYMHSA-N 267.285 -0.529 50 20 CBGD CN1CCCC[C@H]1C(=O)NNC(=O)c1cnn(C)c1 735522578 UBSHOLCHOYQYHS-JTQLQIEISA-N 265.317 -0.335 50 20 CBGD CN1CC(=O)N(CC(=O)NNc2cccc(C#N)c2)C1=O 748033139 DRGRNBQQLCNUEV-UHFFFAOYSA-N 287.279 -0.105 50 20 CBGD CCN(CCCO)CC(=O)NNC(=O)C(C)(C)C 748822313 AZWGHILAFLKZNE-UHFFFAOYSA-N 259.350 -0.116 50 20 CBGD O=C(CO)NNC(=O)c1cccc([C@@H]2CCOC2)c1 753444791 AWXSMVWEJOZPIJ-LLVKDONJSA-N 264.281 -0.056 50 20 CBGD O=C(NNC(=O)C1(O)CCCCC1)N1CCOCC1 754994108 MIEUBJBHJYZBAS-UHFFFAOYSA-N 271.317 -0.245 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)c1c[nH]c2ccccc12 761134871 FFLAUCZQUTUQDR-UHFFFAOYSA-N 289.295 -0.142 50 20 CBGD Cc1cc(C(=O)NNC(=O)COC2CCOCC2)n[nH]1 768278176 JOWZXUNTRLTNTE-UHFFFAOYSA-N 282.300 -0.325 50 20 CBGD CN(CCc1cnccn1)CC(=O)NNC(=O)C1CC1 771462654 XHMKMTNQHDGZJV-UHFFFAOYSA-N 277.328 -0.492 50 20 CBGD O=C1CC(C(=O)NNc2cnc3ccccc3n2)=NN1 774779195 NIGPFZRGYLEHNW-UHFFFAOYSA-N 270.252 -0.051 50 20 CBGD C[C@@H]1Sc2ccc(C(=O)NNC(=O)CO)cc2NC1=O 777782038 VGHUNERWPSDBDV-LURJTMIESA-N 295.320 -0.127 50 20 CBGD C[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)[C@H](C(N)=O)C1 778295998 STYCQAUROTYILH-SCZZXKLOSA-N 282.344 -0.870 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CCc2nnc(C)n2C1 780708196 BXEFBIDODSQQQA-VIFPVBQESA-N 280.332 -0.159 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C[C@@H]1CCSC1 782222027 QTUGVKZSRGYPHR-YUMQZZPRSA-N 279.387 -0.221 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)Cc2cc[nH]n2)CO1 784399169 XNSHSUBYNOJPOM-SFYZADRCSA-N 252.274 -0.475 50 20 CBGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ncc[nH]1 790159913 PBBVHVPLPHPQEF-QMMMGPOBSA-N 285.329 -0.380 50 20 CBGD C[C@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)C(=O)N1CCCC1 793304910 PNZJUWOAYASUBR-NXEZZACHSA-N 295.339 -0.239 50 20 CBGD CC[C@@](C)(C#N)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 806788886 XODOOWRRVGUVHR-XCBNKYQSSA-N 290.345 -0.989 50 20 CBGD Cn1ccnc(NNC(=O)[C@H]2CCCC23OCCO3)c1=O 806998207 SNQSKIYQUCCZLC-SECBINFHSA-N 294.311 -0.233 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cnn(C)n1 807372011 YORUHDDEGNVXJC-UHFFFAOYSA-N 285.304 -0.635 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@H](F)C(F)(F)F)CC1 811421043 TVLGTMVYMRAKMC-LURJTMIESA-N 286.229 -0.125 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)CC[C@@H]1CCOC1 815033913 XKPANIMCBSSFBJ-VIFPVBQESA-N 279.362 -0.091 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cc(C=O)c[nH]2)cn1 815646616 NNRWJXXJCJZWAM-UHFFFAOYSA-N 261.241 -0.365 50 20 CBGD CNC(=O)NCCC(=O)NNc1ncc(F)cn1 815881759 YGGVCLWKSHLXJI-UHFFFAOYSA-N 256.241 -0.622 50 20 CBGD CC(=O)NNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F 819810260 DKAFWTFJCBUERP-UHFFFAOYSA-N 282.210 -0.074 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 823907588 NKEUCNHXALSZLB-NXEZZACHSA-N 295.343 -0.883 50 20 CBGD C[C@H](CO)N(C)NC(=O)CNC(=O)c1ccc(F)cc1 823994161 ZZFVGYMAWOZWED-SECBINFHSA-N 283.303 -0.101 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cnn(C)c1 825753443 LVFNLWWZEBBTKC-WPRPVWTQSA-N 281.316 -0.325 50 20 CBGD CNC(=O)CCCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 825876906 QFJIHDWACAQYHI-DTWKUNHWSA-N 286.332 -0.732 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CC(=O)N(C2CC2)C1 827274967 RGCJXKYEHOXCHO-PSASIEDQSA-N 296.327 -0.584 50 20 CBGD COC(=O)[C@H](C)CN(C)CC(=O)NNC(=O)C(C)C 827426510 SHAFUBXKDSLRPE-SECBINFHSA-N 273.333 -0.469 50 20 CBGD CCCN1C[C@@H](C(=O)NNC(=O)C2CC2)CC1=O 839461500 XSKJXOXFXWOGHD-VIFPVBQESA-N 253.302 -0.198 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H]2CC[C@@H](C1)N2 843352438 KZWXXVRWKZNEEQ-MXWKQRLJSA-N 268.361 -0.241 50 20 CBGD C[C@@H]1NCCN(CC(=O)NNC(=O)C2CC2)[C@@H]1C 843377874 WFQYOTPGRXLIMA-DTWKUNHWSA-N 254.334 -0.774 50 20 CBGD NCC[C@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 843378235 LBJINPKGTRFBHO-SNVBAGLBSA-N 268.361 -0.395 50 20 CBGD CC(=O)N[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)C(C)C 843644839 GJIMDALYXUDUCU-LSJOCFKGSA-N 285.344 -0.281 50 20 CBGD CN(C)C1(C(=O)NNC(=O)[C@@H]2CCCCO2)CC1 854683988 XWKIJZPHKXANIG-VIFPVBQESA-N 255.318 -0.203 50 20 CBGD CCN1C[C@@H](C(=O)NN(C)C(=S)NC)CC1=O 854925897 PCDJVUNSOFRUTQ-ZETCQYMHSA-N 258.347 -0.678 50 20 CBGD CC(C)(C)n1cnc(C(=O)NNC(=O)c2cc[nH]n2)n1 855356759 XOKXVJHXYLNKBT-UHFFFAOYSA-N 277.288 -0.169 50 20 CBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)c1cccc(F)n1 856427442 XPKLKSXBFGZSOZ-XRGYYRRGSA-N 282.231 -0.521 50 20 CBGD C[C@H](N)CCNC(=O)NNC(=O)Cc1ccncc1 857112226 IPVGAAZKUAYQAB-VIFPVBQESA-N 265.317 -0.308 50 20 CBGD CCC[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 858698332 ZBRGFKRFMLHZDF-ZJUUUORDSA-N 298.343 -0.493 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CCC1 862462564 XSYQSDSFCHRNFI-IONNQARKSA-N 253.302 -0.151 50 20 CBGD Cc1ncc(CO)c(C=NNC(=O)[C@@H]2CCC(=O)N2)c1O 863146687 UDPVYJZRLCWUQW-JTQLQIEISA-N 292.295 -0.683 50 20 CBGD COc1cncc(C=NNC(=O)[C@@H]2CCC(=O)N2)c1 863150882 DKRBXISJAAPPJB-JTQLQIEISA-N 262.269 -0.181 50 20 CBGD COc1ccc(C=NNC(=O)CS(C)(=O)=O)c(O)c1 863187641 DDDKEOGEXPTXNN-UHFFFAOYSA-N 286.309 -0.105 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccccc1-n1cnnn1 910175621 QAIIGZGKUPGUOS-SECBINFHSA-N 276.300 -0.380 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc1 919679021 LWOIRXAUJSJLPG-UHFFFAOYSA-N 270.310 -0.199 50 20 CBGD CC(=O)NNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 920430386 MHBSJRDDIULDOX-RITPCOANSA-N 267.207 -0.389 50 20 CBGD COCCN(C)NC(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1 935910667 NXVATEWIKFQQBD-LBPRGKRZSA-N 295.343 -0.169 50 20 CBGD O=C(CN1C(=O)CNC1=O)NNc1ccccc1[N+](=O)[O-] 1115812184 AODGNSFMNYTREY-UHFFFAOYSA-N 293.239 -0.410 50 20 CBGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(C)=O)cn1C 1116618118 IKLDSVUOBIGZGY-UHFFFAOYSA-N 296.283 -0.692 50 20 CBGD CNC(=O)NNC(=O)Cc1ccc([S@@](C)=O)cc1 1116903167 FNJRJPWICYDJRQ-GOSISDBHSA-N 269.326 -0.073 50 20 CBGD O=C(CC1COC1)NNC(=O)N=c1cc[nH]cc1 1119633258 JTEJNMXGDRMHMM-UHFFFAOYSA-N 250.258 -0.307 50 20 CBGD Cc1cnc(COCC(=O)NNC(=O)C(=O)NC(C)C)o1 1257400055 YZRLOVCJXAYUQE-UHFFFAOYSA-N 298.299 -0.828 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CCC(=O)C[C@H]1C 1261881120 XKGGKMANTUUSOT-KOLCDFICSA-N 286.328 -0.198 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H]1CC(=O)N(C)C1 1317799624 HZWYMEKDTFXDEA-ZETCQYMHSA-N 258.347 -0.632 50 20 CBGD Nc1nccnc1C(=O)NNC(=O)NCc1ccco1 1318615766 XBMPMMVTPKXHKP-UHFFFAOYSA-N 276.256 -0.204 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1cccn1C 1323453460 FYNJUVKAUSZJGJ-UHFFFAOYSA-N 254.246 -0.972 50 20 CBGD Cc1nnc(NNC(=O)CO[C@@H]2CCOC2)nc1O 1323511352 MVEWDGJSBKOIGM-SSDOTTSWSA-N 269.261 -0.866 50 20 CBGD O=C(Cc1nc2ncccn2n1)NNc1ncncc1F 1324582611 PVSLHFNDCBDTHQ-UHFFFAOYSA-N 288.246 -0.261 50 20 CBGD NC(=O)c1ccc(NNC(=O)c2cnn(CCF)c2)nn1 1324879299 WOVHHRAAHFBWOS-UHFFFAOYSA-N 293.262 -0.502 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCn1cnccc1=O 1326361920 BEBDATBGZMDWRJ-ZJUUUORDSA-N 294.311 -0.794 50 20 CBGD O=C(COCc1ccccn1)NNC(=O)C(=O)NC1CC1 1333682049 GBDIAHUNTNYHEX-UHFFFAOYSA-N 292.295 -0.976 50 20 CBGD Cc1noc(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1 1345722723 NHFKGSRZMWWUIR-POYBYMJQSA-N 283.288 -0.367 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2CC=CCC2)N1 1349343859 OCSOHRTXPLLDNP-DTWKUNHWSA-N 266.301 -0.296 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCc2ncncc2C1 1350779026 WMVPINKNALPBRT-NXEZZACHSA-N 264.329 -0.075 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccc2c(c1)COC2 1351668410 WXNMNTWTFCRVHN-UHFFFAOYSA-N 298.320 -0.478 50 20 CBGD CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1cnn(C)n1 1549313125 GVRRMDPEEASRTH-ZYHUDNBSSA-N 292.343 -0.482 50 20 CBGD CNCCC(=O)NNC(=O)COc1ccccc1OC 1573901888 JADYFVTWYCHNFQ-UHFFFAOYSA-N 281.312 -0.169 50 20 CBGD Cc1ccc(F)c(NC(=S)NNC(=O)[C@H](N)CO)c1 1574155150 SQJHUGCREWDOGX-MRVPVSSYSA-N 286.332 -0.229 50 20 CBGD C[C@@]1(C(=O)NNC(=O)[C@H]2CCCCO2)CNCCO1 1576351167 XLEYEVBRZUZFFJ-SKDRFNHKSA-N 271.317 -0.919 50 20 CBGD CC1(C)CCCN[C@@H]1C(=O)NNC(=O)[C@H]1COCCO1 1576439391 FNHFJJKFWABTBP-NXEZZACHSA-N 285.344 -0.673 50 20 CBGD N[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1 1580423284 BKXWESDJFQMNKQ-KNVOCYPGSA-N 267.264 -0.346 50 20 CBGD CC(=O)NCC1CCC(=NNC(=O)C(=O)O)CC1 1589129510 HAGRVNAJDOUEDZ-UHFFFAOYSA-N 255.274 -0.131 50 20 CBGD CN(C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1591003376 IARSVXIRTAADIR-UHFFFAOYSA-N 275.272 -0.217 50 20 CBGD CN(N=Cc1nc(-c2nn[nH]n2)cs1)C(N)=O 1591154039 CSTUASWLCQZECC-UHFFFAOYSA-N 252.263 -0.332 50 20 CBGD CCn1[nH]nnc1=NC(=O)NNc1cccc(C(=O)O)c1 1597981442 AUKMXMLDOLJHRO-UHFFFAOYSA-N 291.271 -0.038 50 20 CBGD CCNC(=O)NNC(=O)C1(C(=O)O)CCSCC1 1603770390 KOQVKJVNXYGJDN-UHFFFAOYSA-N 275.330 -0.065 50 20 CBGD Cc1cccc(C(=O)NNC(=O)NC[C@H](F)C(=O)O)n1 1607839266 BXWCJNUGBLPYKO-ZETCQYMHSA-N 284.247 -0.243 50 20 CBGD COc1ccc(CNC(=O)NNC(=O)C(=O)O)cc1OC 1610334508 CEJCDQXOQMPVBZ-UHFFFAOYSA-N 297.267 -0.381 50 20 CBGD CCOC(=O)NNC(=O)NCCN1CCOCC1 42951128 NEOKBVIULBRGLK-UHFFFAOYSA-N 260.294 -0.721 50 20 CBGD O=C(NNC(=O)c1cccc[n+]1[O-])c1cccnc1 47296097 YBKHIFDNQTZAFW-UHFFFAOYSA-N 258.237 -0.210 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 120024463 MMMPEWCBKYBPEG-UHFFFAOYSA-N 266.257 -0.083 50 20 CBGD CCNC(=O)NNC(=O)Cn1c(=O)cnc2ccccc21 139242935 CHHUNXCORIQZFJ-UHFFFAOYSA-N 289.295 -0.253 50 20 CBGD CCN(CC)CC(=O)NNc1ccc(C(N)=O)nn1 154402541 URNQSPVHADIARF-UHFFFAOYSA-N 266.305 -0.640 50 20 CBGD CC(=O)Nc1cccc(C(C)=NNC(=O)C(N)=O)c1 254443215 BIDXFTKOIIAFMB-UHFFFAOYSA-N 262.269 -0.030 50 20 CBGD C=CCCO[C@@H](C)C(=O)NNc1ccc(C(N)=O)nn1 268301074 XACXQGOAFFKKEV-QMMMGPOBSA-N 279.300 0.000 50 20 CBGD C[C@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)C(C)(C)O 281506579 GKFVWDLKMKJGTR-HTQZYQBOSA-N 256.302 -0.090 50 20 CBGD COCC(=O)N[C@H](C(=O)NN(C)C(=O)OC)C(C)C 286159097 AYYYFPWIZWIOQD-VIFPVBQESA-N 275.305 -0.497 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1cccc2nonc12 296676476 IFDRMXBRHISWPG-UHFFFAOYSA-N 278.272 -0.063 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CN3CCCN2CC3)o1 367037260 KORMUBMBUDIBFB-LLVKDONJSA-N 292.339 -0.261 50 20 CBGD CCn1nc(C)c(COc2ccc(B(O)O)cc2)n1 584910936 UUMQBKYLOWPCGL-UHFFFAOYSA-N 261.090 -0.135 50 20 CBGD C[C@H]1CSC[C@H]1NC(=O)c1cccc(B(O)O)c1 584988284 JVJAAEMUESQWER-GZMMTYOYSA-N 265.143 -0.152 50 20 CBGD CS[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584994891 GBNZYHPFVMSCEM-NSHDSACASA-N 265.143 -0.056 50 20 CBGD C[C@H]1CN(C)CC[C@@H]1NCc1ccc(B(O)O)cc1 585022435 NYYXSNNKMWMZMZ-FZMZJTMJSA-N 262.162 -0.204 50 20 CBGD CC[C@H](C)[C@H](CO)NCc1ccccc1B(O)O 585025442 UOZFYCKLISOYFB-GWCFXTLKSA-N 251.135 -0.137 50 20 CBGD C[C@@H]1O[C@H](C)[C@H](NCc2ccc(B(O)O)o2)[C@@H]1C 585048939 HGYNKQNOFIAWFH-JXVAYASWSA-N 253.107 -0.139 50 20 CBGD CN(C)[C@@H]1CC[C@H](NCc2ccc(B(O)O)o2)C1 585050082 QIPIEGAJSLMTSY-VHSXEESVSA-N 252.123 -0.468 50 20 CBGD O=S(=O)(CCCOCc1ccccc1)NCB(O)O 585059606 UMQRIGXLNJZWQJ-UHFFFAOYSA-N 287.146 -0.475 50 20 CBGD Cn1nccc1S(=O)(=O)NNC(=O)c1ccccc1O 727349614 FPPJUDRMZLURJN-UHFFFAOYSA-N 296.308 -0.251 50 20 CBGD O=C(NN=Cc1ccc(O)c(O)c1)[C@H]1CCS(=O)(=O)C1 730575829 IRZZVOHCKZATHK-VIFPVBQESA-N 298.320 -0.017 50 20 CBGD CCOC(=O)/C(C#N)=C/N[C@H]1CCS(=O)(=O)C1 730943026 RBBYMGGTGRHNGS-ORZBULNSSA-N 258.299 -0.266 50 20 CBGD Cc1cc(C)nc(NNC(=O)CSCC(N)=O)n1 733891161 NMVCTMGKHSUFDD-UHFFFAOYSA-N 269.330 -0.245 50 20 CBGD CNC(=O)CCCNC(=O)NNc1cccnn1 737038847 ZJTIHMTZEKFDMP-UHFFFAOYSA-N 252.278 -0.371 50 20 CBGD CCOC(=O)NNS(=O)(=O)c1n[nH]c(C)c1C(=O)O 737145837 GDMLENMOFWGISK-UHFFFAOYSA-N 292.273 -0.644 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CCSCC(=O)O 739041790 BCMJUDOZYWLUEH-UHFFFAOYSA-N 285.325 -0.006 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CC=CC1 758054142 NTQDXVCPPAJNSW-SSDOTTSWSA-N 275.330 -0.962 50 20 CBGD CCNC(=O)N(C)NC(=O)COC[C@@H]1CCCO1 770548311 GIAZOFJGFTUFEQ-VIFPVBQESA-N 259.306 -0.126 50 20 CBGD COC(=O)CNC(=O)NN=C1CN(C2CC2)C[C@H]1C 779818587 SGVZLRCIFJJQNR-MRVPVSSYSA-N 268.317 -0.071 50 20 CBGD O=C(CN1C[C@@H]2C[C@]2(CO)C1)NNC(=O)c1ccccc1 782633313 NYVVCHWOIIAWQH-SWLSCSKDSA-N 289.335 -0.238 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)Cc1ncccc1F 792144677 GGZWDAFLEWYDKG-UHFFFAOYSA-N 277.259 -0.124 50 20 CBGD C=C[C@@H](NNC(=O)CNC(=O)c1ccco1)C(=O)OC 799977965 RQEUMAOEFHHMHB-MRVPVSSYSA-N 281.268 -0.642 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1cncnc1 802032198 OCTBANWVTLZFIV-UHFFFAOYSA-N 258.241 -0.240 50 20 CBGD Cc1cc(C(=O)NNC(=O)COCc2ncc(C)o2)n[nH]1 802938688 WSHCIGQBRPNNPN-UHFFFAOYSA-N 293.283 -0.008 50 20 CBGD Cn1cnn(CCC(=O)NNc2ccccn2)c1=O 815969009 CCDMTRMYAHGSIL-UHFFFAOYSA-N 262.273 -0.490 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1COCCN1CC(F)(F)F 821218343 ZHDPHKPGYPSDFX-IUCAKERBSA-N 299.293 -0.407 50 20 CBGD CCOC(=O)N1CSC[C@@H]1C(=O)NN(CC)CCO 823376419 FCQGKSWFOVXPMQ-SECBINFHSA-N 291.373 -0.137 50 20 CBGD CCn1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)nn1 823476144 WHPFOXNUDZPXJG-YUMQZZPRSA-N 267.289 -0.516 50 20 CBGD CCN(CCO)NC(=O)C1=C(C)N(C)c2ncnn2[C@@H]1C 823879937 YITFUDWJLYUDKQ-SNVBAGLBSA-N 294.359 -0.092 50 20 CBGD C[C@H](C#N)CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 826880283 SGLPPNCVMWOQLD-IWSPIJDZSA-N 254.290 -0.099 50 20 CBGD Cc1cn(C)nc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843662441 SQTROMLKHDMJAY-BDAKNGLRSA-N 266.301 -0.085 50 20 CBGD C[C@@H]1[C@H](C(=O)NNC(=O)c2ncccn2)CCN1C 843910164 QPLWLWPFAVMBCY-RKDXNWHRSA-N 263.301 -0.422 50 20 CBGD CC1=C(C(=O)NNC(=O)C(C)C)[C@@H](C)n2nnnc2N1C 847290481 ZNOKQCAVQODRKZ-MRVPVSSYSA-N 293.331 -0.239 50 20 CBGD NC(=O)[C@@]1(NS(=O)(=O)CCCCCl)CCOC1 848503762 OURXXLXCGXRNDE-SECBINFHSA-N 284.765 -0.431 50 20 CBGD O=S(=O)(CCNCc1cccc(B(O)O)c1)CC1CC1 863888271 MIUSJVDHNBRDKA-UHFFFAOYSA-N 297.185 -0.719 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccco2)N1 863935773 USVFVYPTEDGADH-HLTSFMKQSA-N 277.280 -0.191 50 20 CBGD CNC(=O)NN=Cc1cn(C[C@H]2CCCO2)nn1 872344458 GGDXEVWXAIEXLG-SECBINFHSA-N 252.278 -0.280 50 20 CBGD COC(=O)[C@@]1(C)CN(CC(=O)NNC(=O)C(C)C)C[C@@H]1C 879134909 SPWJIQFLLGPDQP-HZMBPMFUSA-N 299.371 -0.079 50 20 CBGD Cn1nc(C2CC2)cc1CNC(=O)c1cccc(B(O)O)c1 885822579 MZSRDGYKNNMMFP-UHFFFAOYSA-N 299.139 -0.093 50 20 CBGD Cc1ccc(C=NNC(=O)C(N)=O)cc1[N+](=O)[O-] 916274894 WVAUCKLPIICMEH-UHFFFAOYSA-N 250.214 -0.161 50 20 CBGD CC1(CCC(=O)NNC(=O)C(=O)NC2CC2)CC1 929448278 JYQFUNYHESNCOX-UHFFFAOYSA-N 253.302 -0.007 50 20 CBGD Cn1ccnc(NNC(=O)CN2CCSC2=O)c1=O 1116200652 VECFAEUYLOVOLC-UHFFFAOYSA-N 283.313 -0.608 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCCN(C(N)=O)C1 1119581785 MXRPBVITPREMBN-RKDXNWHRSA-N 258.322 -0.879 50 20 CBGD CN(C)C1(CNC(=O)NNC(=O)c2cccnn2)CC1 1262193974 CSRDZVGYFDVBGL-UHFFFAOYSA-N 278.316 -0.485 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H](C)N1C(=O)CCC1=O 1318215165 YLVVPNIBSXKDJL-SSDOTTSWSA-N 270.289 -0.736 50 20 CBGD CCNC(=O)N(C)NC(=O)CCCCCNC(N)=O 1320200179 MBFKQMBOATUDRH-UHFFFAOYSA-N 273.337 -0.092 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)C1=CCN(C)CC1 1320225869 ONCJPZPZBNVQQC-QMMMGPOBSA-N 284.316 -0.860 50 20 CBGD CCNC(=O)NNC(=O)c1ccn(CCOC)n1 1321655623 MMTQOAMXBCMDGE-UHFFFAOYSA-N 255.278 -0.507 50 20 CBGD COc1c(C(=O)NNC(=O)Cc2cc[nH]n2)c(C)nn1C 1323810692 DESKFKUNBFHLLZ-UHFFFAOYSA-N 292.299 -0.536 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1CCCc2nn[nH]c21 1328746407 PCOITDLEQVUECM-LURJTMIESA-N 252.278 -0.473 50 20 CBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 1330107605 GNVGNRDVWOTEBA-VGMNWLOBSA-N 269.301 -0.773 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ncnn1C 1332094132 PUGRJRXKABXZMO-DJLDLDEBSA-N 296.331 -0.369 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCCSC1 1336129096 DSGSSFNSMVAZMT-UHFFFAOYSA-N 251.116 -0.097 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cncc(C)c1 1338004277 JVNIJHATVKFJDO-UHFFFAOYSA-N 252.230 -0.284 50 20 CBGD O=C(/C=C\[C@@H]1CCOC1)NNC(=O)c1cccnn1 1339780396 WSSBFFYVONKBTM-ZBJFTSOASA-N 262.269 -0.170 50 20 CBGD N#C/C(=C\c1cn(CC(=O)O)nn1)C(=O)NC1CC1 1341210303 BXJREDUEIZXQSE-XVNBXDOJSA-N 261.241 -0.452 50 20 CBGD C[S@@](=O)CCCNC(=O)NNc1cccnn1 1341913211 FHFRNNKPJMNWDW-QGZVFWFLSA-N 257.319 -0.129 50 20 CBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNc1ncncc1Cl 1348300689 MSILLQLCFCKAPR-WCBMZHEXSA-N 296.762 -0.039 50 20 CBGD N#CSCCCNC(=O)CN1C(=O)CCC1=O 1349612524 YOJZDTJTJVRXFX-UHFFFAOYSA-N 255.299 -0.144 50 20 CBGD Cc1cnc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 1351629027 UPHOANIUULEZEX-SSDOTTSWSA-N 282.325 -0.580 50 20 CBGD O=C(NN=Cc1cncnc1)[C@@H]1CN2CCC[C@H]2CO1 1549321392 SEPWXBGKPZRJHD-RYUDHWBXSA-N 275.312 -0.210 50 20 CBGD CN(NC(=O)OCc1ccccc1)C(=O)[C@@H](N)CO 1573882882 RZOUCOHQUZDSAU-JTQLQIEISA-N 267.285 -0.394 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)C1=C2CCN=C2NC=C1 1580573661 MYNLRNFRDDYENS-UHFFFAOYSA-N 297.318 -0.013 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](C(=O)O)[C@H]1C 1594712699 ZICOVAQHHNORER-HRDYMLBCSA-N 271.317 -0.273 50 20 CBGD O=C(CN1CC(=O)NC1=O)NNc1cccc(C(=O)O)c1 1601305737 MDNKBMQRVUQUHI-UHFFFAOYSA-N 292.251 -0.620 50 20 CBGD O=C(NCC1(C(=O)O)CC1)NNC(=O)C1CCC1 1601469312 PNLAZBACANGUEI-UHFFFAOYSA-N 255.274 -0.018 50 20 CBGD O=C(NC[C@H]1[C@@H](C(=O)O)C1(F)F)c1cccc(B(O)O)c1 1601529252 TZLWUDJTWFHIES-IUCAKERBSA-N 299.038 -0.938 50 20 CBGD CC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 1602948895 QGQBACOKGNBDIS-UHFFFAOYSA-N 276.256 -0.587 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CN1CCCC1=O 194353290 WGGJLOQLZNQSKK-UHFFFAOYSA-N 264.285 -0.592 50 20 CBGD CO[C@H](C)CCNC(=O)NNC(=O)C(=O)N1CCCC1 263731687 IGFBATZYLJFYLL-SECBINFHSA-N 286.332 -0.636 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)cc(O)n1 271931960 KEHAXPMOMVIRFV-UHFFFAOYSA-N 292.295 -0.521 50 20 CBGD C[C@@H](O)C(=O)NNC(=O)COCc1ccccc1 276475313 DZXWSQIVHXRIKR-SECBINFHSA-N 252.270 -0.269 50 20 CBGD CC(C)=CCCNC(=O)NNC(=O)C(=O)NC1CC1 276916335 XCRQPFLVZUDWSL-UHFFFAOYSA-N 268.317 -0.048 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCC1 285467076 QAHCCBZZMZPOOG-UHFFFAOYSA-N 266.257 -0.544 50 20 CBGD CCN(CCN)CC(=O)NNC(=O)c1ccccc1 311439996 UEUHSASPINTRNU-UHFFFAOYSA-N 264.329 -0.272 50 20 CBGD CCO/C=C(/C#N)C(=O)NC[C@](C)(O)C(=O)OCC 490907356 HFZUYCOWIBBSMV-UPZNUWHASA-N 270.285 -0.139 50 20 CBGD CNC(=O)NNC(=O)/C=C\c1cnc(OC)nc1 492688249 PCDDQZVXMXWKKC-ARJAWSKDSA-N 251.246 -0.541 50 20 CBGD C[C@@]1(CNC(=O)c2cccc(B(O)O)c2)CCCO1 584956851 CAZGQDGJVYFUTN-ZDUSSCGKSA-N 263.102 -0.335 50 20 CBGD CC(C)(CCO)CNC(=O)c1cccc(B(O)O)c1 584959786 LFVQCSJTURICGW-UHFFFAOYSA-N 265.118 -0.495 50 20 CBGD CS[C@H](C)CNC(=O)c1ccc(B(O)O)c(F)c1 584964814 JIJHKGMGEGYDSF-SSDOTTSWSA-N 271.122 -0.013 50 20 CBGD CN(C(=O)c1cccc(B(O)O)c1)C1(C(N)=O)CCCC1 584966450 AEARSLZPQWCQEX-UHFFFAOYSA-N 290.128 -0.764 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 584972837 HVINRNDCDUGUGU-WCFLWFBJSA-N 275.113 -0.791 50 20 CBGD CC(C)N(C)C[C@H](C)NC(=O)c1cccc(B(O)O)c1 584994008 WPZUTJJPBIBXRU-NSHDSACASA-N 278.161 -0.175 50 20 CBGD O=C(NCCCC1(O)CCC1)c1cccc(B(O)O)c1 585001519 YFXPHBNIZZVTET-UHFFFAOYSA-N 277.129 -0.209 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCCO[C@@H](CF)C1 585002143 NRHGOUWFSOGTRV-LBPRGKRZSA-N 281.092 -0.433 50 20 CBGD CN(C)[C@@H]1CC[C@H](NC(=O)c2cc(B(O)O)ccc2F)C1 585010797 QVZWPFNNLGMICB-WDEREUQCSA-N 294.135 -0.282 50 20 CBGD O=C(NCCNCc1cccc(B(O)O)c1)C1CCCC1 585024163 RCIIFFKLGBRDOP-UHFFFAOYSA-N 290.172 -0.238 50 20 CBGD CC(C)N1C[C@H](NCc2ccc(B(O)O)cc2F)CC1=O 585028288 IURLOXVJFGRJBS-GFCCVEGCSA-N 294.135 -0.396 50 20 CBGD C[C@H](C[S@](C)=O)NCc1ccccc1B(O)O 585033725 ARVOGRMPRGNOJL-XLFHBGCDSA-N 255.148 -0.777 50 20 CBGD CN1CCC[C@@H]1CCNCc1ccccc1B(O)O 585047742 UJPJRRQCSZEYNR-CYBMUJFWSA-N 262.162 -0.060 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc(F)c(Cl)c1 585054953 VGOBABBUKVTUPW-UHFFFAOYSA-N 267.474 -0.231 50 20 CBGD O=C1CCCCCN1CC(=O)N1CC[C@H](B(O)O)C1 585074012 HQTLFTXDTUJHBZ-JTQLQIEISA-N 268.122 -0.536 50 20 CBGD COCCNC(=S)NNC(=O)N1CCOCC1 745729455 IBYGDBQXKSWMDG-UHFFFAOYSA-N 262.335 -0.946 50 20 CBGD CC1(C)C[C@@H]1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 751697501 NZWALTYNBHDUAZ-HTQZYQBOSA-N 289.357 -0.450 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CC[C@]1(C)CCC(=O)N1 753436632 SSIRBJHZHVTJLU-ZDUSSCGKSA-N 293.327 -0.072 50 20 CBGD O=C1C[C@H](C(=O)NNC(=O)NC2CCCC2)CCN1 760469259 FRIPKAPEIPPWHR-MRVPVSSYSA-N 268.317 -0.214 50 20 CBGD Cc1nn(C)c(N2CCOCC2)c1C=NN(C)C(N)=O 767908624 AFZPVVRJNCKLCQ-UHFFFAOYSA-N 280.332 -0.090 50 20 CBGD O=C(CO)NNC(=O)c1ccnc(-n2ccnc2)c1 777782838 QYXXQQDUQRZGQX-UHFFFAOYSA-N 261.241 -0.979 50 20 CBGD COC[C@@H](C)C(C)=NNC(=O)[C@H](C)NS(C)(=O)=O 777886259 VGORUWHTFZOLPZ-APPZFPTMSA-N 279.362 -0.301 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H](C)Sc1nncn1C 781063961 SBYIBBYKKBILTO-SSDOTTSWSA-N 286.361 -0.012 50 20 CBGD NC(=O)NC1(C(=O)NNc2ccnc(F)c2)CC1 781365287 FDPPRDOMHFETTN-UHFFFAOYSA-N 253.237 -0.135 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)c2c[nH]nc2C)on1 781424795 DHNJBVUZBBIPFT-UHFFFAOYSA-N 293.239 -0.432 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cccc3nn[nH]c23)cn1 783639141 MOPWGHOKPPYJIN-UHFFFAOYSA-N 285.267 -0.234 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)c1ccc(C#N)cc1 806686948 JUQIIZNGMLTPEW-LLVKDONJSA-N 286.291 -0.060 50 20 CBGD CC(Cn1cccn1)=NNC(=O)N[C@H]1CCS(=O)(=O)C1 814814558 PFFLYLMBDDKOPS-JTQLQIEISA-N 299.356 -0.255 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CCCOC1 818397872 IASJLQCNIWUVPL-SECBINFHSA-N 269.301 -0.817 50 20 CBGD COC(OC)C(=O)NNC(=O)NCC(F)(F)F 822671596 NWOAXQQEONPMQC-UHFFFAOYSA-N 259.184 -0.502 50 20 CBGD CCN(CCO)NC(=O)[C@H](C)Cc1cnn(C)c1 823889435 WIWRWFSMFRNTQK-SNVBAGLBSA-N 254.334 -0.056 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@H](C)OC[C@@H]1C 827332873 UHBRQFVMOCCUTB-UWVGGRQHSA-N 257.334 -0.101 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CO1 828422138 UAFCMONOMYONPX-FXPVBKGRSA-N 291.373 -0.455 50 20 CBGD Cn1cc(N2CCN(S(=O)(=O)CCl)CC2=O)cn1 830798659 IGHCRMCULGLKFM-UHFFFAOYSA-N 292.748 -0.405 50 20 CBGD CCNC(=O)CCCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843973774 LRFCWHYYFSXFLJ-UWVGGRQHSA-N 285.344 -0.135 50 20 CBGD C=C(C)CONC(=O)NNC(=O)[C@@H](C)OCCOC 845602764 LYCHMNLMPACDFK-SECBINFHSA-N 275.305 -0.124 50 20 CBGD CNC(=S)N(C)NC(=O)COCc1ccnn1C 854920679 HBBHGZGSMKSFDI-UHFFFAOYSA-N 271.346 -0.596 50 20 CBGD Cc1nc(SCCC(=O)NNC(=O)c2cc[nH]n2)n[nH]1 855357944 VYFNOPJWGXYYCH-UHFFFAOYSA-N 295.328 -0.220 50 20 CBGD Cc1noc(CCCC(=O)NNC(=O)c2cc[nH]n2)n1 855359227 KLOIUFDLQHGYKX-UHFFFAOYSA-N 278.272 -0.115 50 20 CBGD O=C(NNC(=O)[C@@H]1CCOC(=O)N1)OCC(F)(F)F 862216066 REWRXPJXWXXKLI-BYPYZUCNSA-N 285.178 -0.195 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CCCSC2)N1 862462464 QLKAZTXVLJAZRT-YUMQZZPRSA-N 271.342 -0.444 50 20 CBGD CO[C@](C)(C(=O)NNC(=O)c1cn[nH]c1)C1CC1 862469832 CPFZAPQMSKUPNL-NSHDSACASA-N 252.274 -0.014 50 20 CBGD CCOC(=O)[C@@H](CC(C)C)NNC(=O)[C@@H]1CCC(=O)N1 863379178 PTALOVWXDSPXSS-VHSXEESVSA-N 285.344 -0.136 50 20 CBGD CCO/C=C/C(=O)NNC(=O)Cc1cc(C)[nH]n1 869016633 NHFOYXDSPDGTTQ-SNAWJCMRSA-N 252.274 -0.042 50 20 CBGD COCCOCC(=O)NNC(=O)Cc1ccc(C)o1 869907600 BPWNBCYGMQFOQJ-UHFFFAOYSA-N 270.285 -0.059 50 20 CBGD CN(C)CC(=O)NNC(=S)Nc1ccccn1 874956606 JBVGWWULNKMPHG-UHFFFAOYSA-N 253.331 -0.039 50 20 CBGD CC1=C(C)C(=O)N(CCC(=O)NNC(=O)N(C)C)C1=O 900427406 JVFUAGNSMRYAMZ-UHFFFAOYSA-N 282.300 -0.616 50 20 CBGD C[C@@]1(C(=O)NC(CO)CO)C[C@@H]1Br 907181734 IVORQZUBQIVNES-POYBYMJQSA-N 252.108 -0.371 50 20 CBGD CCC(=O)N1CCC[C@@H](C(=O)NN(C)C[C@@H](C)O)C1 910169416 DFRATHCABOUGFW-GHMZBOCLSA-N 271.361 -0.021 50 20 CBGD Cc1csc(C(=O)NNC(=O)[C@@H]2OCCN(C)C2=O)c1 912977288 IFTWGYYASJSWQO-VIFPVBQESA-N 297.336 -0.325 50 20 CBGD Cn1cc(C(=O)NNC(=O)COC(F)(F)F)cn1 933087429 CLJOZOBSYUAKMB-UHFFFAOYSA-N 266.179 -0.283 50 20 CBGD CCO[C@@H](CCNC(=O)NNC(=O)C(=O)OC)C(C)C 1116188102 YVNZJCCPELKDSW-VIFPVBQESA-N 289.332 -0.059 50 20 CBGD CCCCNC(=O)NNC(=O)c1cc(C(N)=O)c[nH]1 1116208710 DQDHOVDBKFSNLB-UHFFFAOYSA-N 267.289 -0.142 50 20 CBGD CNC(=O)c1cccc(C(=O)NNc2nc[nH]n2)c1 1117721901 BITPZBLRAQVLRF-UHFFFAOYSA-N 260.257 -0.079 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CC(F)(F)C1 1254746100 NAKWQESUOKSETO-YFKPBYRVSA-N 299.299 -0.883 50 20 CBGD Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)N(C)C 1255165902 VDUGQHWYENLTTL-UHFFFAOYSA-N 275.334 -0.499 50 20 CBGD O=C1CCCCN1CC(=O)N1CC[C@@H](B(O)O)C1 1261844657 WRFIJVFYOFKARK-SECBINFHSA-N 254.095 -0.926 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 1318144260 SJSHUJAMBFTLHU-UHFFFAOYSA-N 292.338 -0.581 50 20 CBGD Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C=NNC(N)=O 1318287697 VHABIMOUECFQAP-SECBINFHSA-N 299.356 -0.138 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCCN(C(N)=O)C1 1318377864 NPSMXWTUHQQAOU-MRVPVSSYSA-N 294.315 -0.730 50 20 CBGD CC(C)NC(=S)NNC(=O)Cn1cnc(C#N)n1 1319261988 KGMVUZNCYUCEMA-UHFFFAOYSA-N 267.318 -0.947 50 20 CBGD CCO/C=C(/C#N)C(=O)NCCCS(C)(=O)=O 1319557341 IZSNBCTYMBAVQJ-HJWRWDBZSA-N 260.315 -0.019 50 20 CBGD CN(NC(=O)c1cccc(CS(C)(=O)=O)c1)C(N)=O 1319991818 HPVDYPXHVCCLOA-UHFFFAOYSA-N 285.325 -0.114 50 20 CBGD CCCn1cc(NC(=O)C(=O)NNC(=O)OC)cn1 1320246182 KFSUEULVMVBVFT-UHFFFAOYSA-N 269.261 -0.381 50 20 CBGD C[C@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)C(=O)NC1CC1 1321540220 MIMQMXVWUZFRMN-SFYZADRCSA-N 281.312 -0.582 50 20 CBGD CCn1cc(C(=O)C(=O)NN(C)C(=O)OC)cn1 1323938551 FUNNCYSTGQPCDZ-UHFFFAOYSA-N 254.246 -0.185 50 20 CBGD COc1cc(C(=O)NNC(=O)N2CCOCC2)ccn1 1324684839 VFVPKCNNCWQBQF-UHFFFAOYSA-N 280.284 -0.223 50 20 CBGD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNc1ncc(F)cn1 1325051080 ODYOPTQKKIDXGQ-HZGVNTEJSA-N 297.290 -0.666 50 20 CBGD COc1ccc(OC)c(NC(=O)C(=O)NNC(C)=O)c1 1325507327 XODLHCVIGUYDBJ-UHFFFAOYSA-N 281.268 -0.190 50 20 CBGD C=CCn1cc(C(=O)NNC(=S)NC(C)C)nn1 1328561696 HKOBIRILILINSQ-UHFFFAOYSA-N 268.346 -0.019 50 20 CBGD CC(C)C(=O)NCCNC(=O)NNC(=O)c1cn[nH]c1 1329140053 IYRCGOAQYJOUEJ-UHFFFAOYSA-N 282.304 -0.874 50 20 CBGD CCc1ccc(CC(=O)NNC(=O)CS(C)(=O)=O)nc1 1329208133 NTKIWQZHHUGOMN-UHFFFAOYSA-N 299.352 -0.622 50 20 CBGD CC(=O)NNS(=O)(=O)C[C@@]1(OC(C)C)CCOC1 1330730219 YRTCTEYJSHLFGQ-SNVBAGLBSA-N 280.346 -0.459 50 20 CBGD C[C@H](O)CN(C)NC(=O)COCc1ccncc1 1332149351 PJGUTHUAGMHYSC-JTQLQIEISA-N 253.302 -0.058 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1cncnc1 1332468664 IOZLPLVWCIFUFK-MWLCHTKSSA-N 278.312 -0.018 50 20 CBGD COCc1nn(C)cc1C(=O)NN(C)[C@@H](C)CO 1332471148 VFZYXNKUDPNWLD-QMMMGPOBSA-N 256.306 -0.476 50 20 CBGD Cc1nn(C)c(C=NNC(=O)CS(C)(=O)=O)c1Cl 1334886985 ROMSXJXKEIHCEF-UHFFFAOYSA-N 292.748 -0.123 50 20 CBGD COCCOCCC(=O)NNC(=S)NC(C)C 1337811457 FGDYHNJCDIZLIZ-UHFFFAOYSA-N 263.363 -0.057 50 20 CBGD CCc1cc(CNC(=O)NNC(=O)C(=O)NC2CC2)n[nH]1 1339360397 FGQMFQHTBIKJOC-UHFFFAOYSA-N 294.315 -0.919 50 20 CBGD C[C@H]1[C@H](CO)CCCN1C(=O)NNC(=O)c1cn[nH]c1 1351351482 FFSFHOLOGATJBN-IUCAKERBSA-N 281.316 -0.143 50 20 CBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1574282189 RYQTZLYBIPRVCL-OJMIUMIFSA-N 282.296 -0.188 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)[C@@]12CNC[C@@H]1COC2 1575231472 QVSCNHLJEQTNMX-PRHODGIISA-N 271.317 -0.222 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc(CN)nc1 1576903449 JTBOABWZNWCAJS-VXNVDRBHSA-N 279.300 -0.879 50 20 CBGD O=C(NNC(=O)[C@@H]1[C@H]2CCNC[C@H]21)c1cccnn1 1580736262 QDDBQGQUCHFVKD-QXFUBDJGSA-N 261.285 -0.907 50 20 CBGD COC(=O)C(=O)NN=Cc1ccccc1-c1nn[nH]n1 1591226217 PWUWWXYYZJKXKU-UHFFFAOYSA-N 274.240 -0.510 50 20 CBGD Cn1nncc1NNC(=O)[C@@H]1CO[C@H](CCC(=O)O)C1 1594598731 ZECIZFFYJPJOOI-JGVFFNPUSA-N 283.288 -0.472 50 20 CBGD Cc1oc(C(=O)O)cc1C(=O)NNC(=O)[C@H]1COCCO1 1600826206 KGJIGNJBYVQICR-SECBINFHSA-N 298.251 -0.537 50 20 CBGD O=C(NC1(C(=O)O)CCC1)c1ccc(B(O)O)cc1 1601429419 CNRHNQOZHNTUEM-UHFFFAOYSA-N 263.058 -0.897 50 20 CBGD N#Cc1ccc(F)c(CNC(=O)NNC(=O)C(=O)O)c1 1608206666 JYCUHQTZMKCJBY-UHFFFAOYSA-N 280.215 -0.388 50 20 CBGD CCO[C@H]1C[C@@H]1C(=O)NN=Cc1cc(C(=O)O)nn1C 1776101887 BITOMOLAQQNAHO-WPRPVWTQSA-N 280.284 -0.007 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1 42959867 QAGJUECBBBCBSA-JTQLQIEISA-N 277.280 -0.275 50 20 CBGD COCCCNC(=O)NNC(=O)Cc1c(C)nn(C)c1C 65206150 PVSNCBDDFHKXPI-UHFFFAOYSA-N 297.359 -0.054 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc2c(c1)CCC(=O)N2 113423908 SCDFINDRYYMWLR-UHFFFAOYSA-N 290.323 -0.106 50 20 CBGD O=C(NNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc[nH]1 122306374 BNZYZITYZVOGNC-UHFFFAOYSA-N 264.201 -0.279 50 20 CBGD C#C[C@@H](C)NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 187721149 RKQFQDCGYIDCRB-SECBINFHSA-N 299.294 -0.372 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)[C@H]1CCC(=O)N1 264475621 HBTGFTPQBWVGQS-MRVPVSSYSA-N 293.279 -0.803 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)[C@@H]1CCC(=O)N1 264475623 HBTGFTPQBWVGQS-QMMMGPOBSA-N 293.279 -0.803 50 20 CBGD CCCC[C@H](NC(N)=O)C(=O)NNC(=O)c1cnn(C)c1 265617719 YRUBPZJZZBMWEM-VIFPVBQESA-N 296.331 -0.592 50 20 CBGD COC(=O)C[C@H](C)C(=O)NNc1ncnc2nc[nH]c12 268391699 CZQSNJYSUAJXFS-LURJTMIESA-N 278.272 -0.005 50 20 CBGD CN(CC(=O)NNc1ncccc1F)S(C)(=O)=O 286094416 VBFORNRSXNDMJY-UHFFFAOYSA-N 276.293 -0.445 50 20 CBGD COC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)[C@H]1CCCO1 293267115 GAMQKPUQEOUGSU-XHNCKOQMSA-N 270.285 -0.488 50 20 CBGD C[C@H](C(=O)NNc1nnc[nH]1)n1nnnc1C(C)(C)C 293826055 GCSIWPJKFUQKQW-ZCFIWIBFSA-N 279.308 -0.207 50 20 CBGD CCO/C=C/C(=O)NNC(=O)C(=O)N1CCCC1 493404231 VSJBPOAGIDCZQS-VMPITWQZSA-N 255.274 -0.694 50 20 CBGD C[C@H]1CCCN1CC(=O)Nc1cccc(B(O)O)c1 584913068 ZDVRUBGLKFRDRI-JTQLQIEISA-N 262.118 -0.211 50 20 CBGD CCN1CCC(N(C)C(=O)c2ccc(B(O)O)cc2)CC1 584939173 GIDVAHPRQDRUJZ-UHFFFAOYSA-N 290.172 -0.077 50 20 CBGD C[C@@H](NC(=O)c1ccc(B(O)O)cc1)[C@@H]1CCOC1 584951353 OJGMTQQVFYBVAS-MWLCHTKSSA-N 263.102 -0.479 50 20 CBGD O=C(N[C@H]1CC[C@@H](CO)CC1)c1cc(B(O)O)ccc1F 584962358 DHJZITSDTONGEJ-JGZJWPJOSA-N 295.119 -0.214 50 20 CBGD O=C(N[C@H]1CCCOC1)c1ccc(B(O)O)c(F)c1 584981515 XVBRSAJXNTZWHX-VIFPVBQESA-N 267.065 -0.586 50 20 CBGD CO[C@@H](C)[C@@H](C)NC(=O)c1cccc(B(O)O)c1 584991088 UKVWQTWKFHQVOW-BDAKNGLRSA-N 251.091 -0.480 50 20 CBGD CC[C@H](O)CNC(=O)c1cc(B(O)O)ccc1F 584991293 AGTOKFJFPSGQDN-QMMMGPOBSA-N 255.054 -0.994 50 20 CBGD COCC(C)(C)CNC(=O)c1ccc(B(O)O)c(F)c1 584991589 DXRHMIPLHSSJGQ-UHFFFAOYSA-N 283.108 -0.092 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@H]1CF 584993967 BHWSUWRHVITBKO-NSHDSACASA-N 251.066 -0.060 50 20 CBGD C[C@H](N(C)C(=O)c1ccc(B(O)O)c(F)c1)C(C)(C)O 584997862 MEYAZPMKKOGWTI-QMMMGPOBSA-N 283.108 -0.263 50 20 CBGD CC[C@H](C)NC(=O)CCNCc1ccc(B(O)O)cc1 585020778 IUSSLKPOUDIAJW-NSHDSACASA-N 278.161 -0.239 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc2c(c1)CCC2 585054483 LWTSNIKAVBPZAT-UHFFFAOYSA-N 255.104 -0.534 50 20 CBGD C[C@@H]1CCCN1S(=O)(=O)N1CC[C@H](B(O)O)C1 585058980 WAMWFVFDKJUGJZ-BDAKNGLRSA-N 262.140 -0.736 50 20 CBGD CN1CCN([C@H](C(=O)NCB(O)O)c2ccccc2)CC1 585060815 ZGLVDCNXECNCHN-ZDUSSCGKSA-N 291.160 -0.897 50 20 CBGD Cc1nc(O)c(C(=O)NCB(O)O)cc1Br 585062898 PKACTIBFVXYVOV-UHFFFAOYSA-N 288.894 -0.400 50 20 CBGD CC(C)(C)N1C[C@H](C(=O)N2CC[C@@H](B(O)O)C2)CC1=O 585074787 CQDCMCCBKRPGAY-NXEZZACHSA-N 282.149 -0.291 50 20 CBGD NC(=O)CNC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1 727065477 SOUHWPIRTJFUCZ-UHFFFAOYSA-N 297.296 -0.811 50 20 CBGD CCCNC(=O)NNC(=O)COC[C@@H]1CCCO1 733256149 PWPKCCYAPDZZOD-VIFPVBQESA-N 259.306 -0.078 50 20 CBGD COC[C@@H](C)CNC(=O)NNC(=O)c1cnn(C)c1 735512134 GPBBYVSFMFRCAQ-QMMMGPOBSA-N 269.305 -0.353 50 20 CBGD COCCCNC(=O)NNC(=O)CCCN(C)C(=O)O 737762566 IYXXGEHIECIDMR-UHFFFAOYSA-N 290.320 -0.257 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@]12CCC(=O)N1CCS2 745139845 SKKGJZSFHYCBEB-LLVKDONJSA-N 286.357 -0.209 50 20 CBGD CN1C[C@H](NC(=O)NNC(=O)c2ccc[nH]2)CC1=O 750653527 VZBYYMSYHDAGMW-SSDOTTSWSA-N 265.273 -0.811 50 20 CBGD CC(C)CC(=O)NNC(=O)N[C@H]1CCCS(=O)(=O)C1 758664715 XEZHOCYAXNMWOX-VIFPVBQESA-N 291.373 -0.060 50 20 CBGD O=C(CNC(=O)c1cccnc1)NN=C[C@H]1CCOC1 763194117 FJOXGLJFRBPPJZ-SNVBAGLBSA-N 276.296 -0.050 50 20 CBGD O=C(CO)NNC(=O)c1ccccc1-n1cccn1 777781149 IQNUDXHDXZODJV-UHFFFAOYSA-N 260.253 -0.374 50 20 CBGD COc1cccc(C(=O)NNC(=O)c2cnnn2C)c1O 799100595 KWILCJCDHZTDBC-UHFFFAOYSA-N 291.267 -0.396 50 20 CBGD COC[C@](C)(O)C(=O)NNc1ccc(-n2ccnc2)nn1 804959054 XNOBXZNGZCSEBE-LBPRGKRZSA-N 292.299 -0.497 50 20 CBGD CC[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)N(C)C 807378666 IKHQKAPECYVGLI-JTQLQIEISA-N 271.365 -0.685 50 20 CBGD CNc1ncc(C(=O)NNC(=O)N2CCN(C)CC2)s1 807380957 XKOXPXYSFNKUON-UHFFFAOYSA-N 298.372 -0.213 50 20 CBGD COC[C@@H](C)[C@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 812489968 LXYFQZIQOIHGSX-ZJUUUORDSA-N 285.344 -0.325 50 20 CBGD CC[C@H](CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1)OC 812594547 GUGSSNJLQCHCND-MWLCHTKSSA-N 293.389 -0.208 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCCC12OCCO2 823923004 OIRBSVBBPAVTNG-ZJUUUORDSA-N 258.318 -0.127 50 20 CBGD C[C@H](CO)N(C)NC(=O)CN(C)[C@@H]1CCSC1 823939618 MULUTGHLFCCKIE-NXEZZACHSA-N 261.391 -0.233 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 823989186 PBCMVPJRGWMCAE-SSDOTTSWSA-N 289.299 -0.166 50 20 CBGD O=C(NCC1CC1)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 826434169 FGWBAMILFNWWLO-UHFFFAOYSA-N 290.287 -0.451 50 20 CBGD CCOC(=O)NCCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843971584 CMUZCNPZNWVIOE-BDAKNGLRSA-N 287.316 -0.305 50 20 CBGD COC/C(C)=C\C(=O)NNC(=O)c1ccnnc1 846268267 ZVGVGPHMANFUEG-YVMONPNESA-N 250.258 -0.170 50 20 CBGD CCCCS(=O)(=O)NCC(=O)NN(C)C(=S)NC 854922710 FYRNPIKMQBCIBD-UHFFFAOYSA-N 296.418 -0.827 50 20 CBGD C=C(Cl)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858232133 LYPHSTASIDRZOM-ZCFIWIBFSA-N 260.681 -0.652 50 20 CBGD C[C@@H]1OCCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)[C@@H]1C 858696001 JPEBXAIPBQQOQB-HRDYMLBCSA-N 284.316 -0.885 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](NC=O)C(C)C 860382635 LLQDFEIZPGDQPC-WPRPVWTQSA-N 287.316 -0.754 50 20 CBGD Cc1nn(C)c(C)c1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 860863725 IVTKBQCWFKSBML-MRVPVSSYSA-N 294.315 -0.532 50 20 CBGD C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862454594 WKCURNVGFOLUMM-VLEAKVRGSA-N 296.371 -0.326 50 20 CBGD O=C(CC[C@H]1CCOC1)NNC(=O)CN1CCCC1=O 913731807 XFDGWMZIHCYVRW-JTQLQIEISA-N 283.328 -0.427 50 20 CBGD O=C(CN1CCC[C@@H]1C1OCCO1)NNC(=O)C1CC1 933907705 ORRPRIJDMBPIIC-SNVBAGLBSA-N 283.328 -0.619 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccc(S(C)(=O)=O)cc1 1115813816 MATCKCXPFJLYRW-UHFFFAOYSA-N 283.309 -0.584 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1c(C)cnn1CC1CC1 1116604324 POKYOFCWAIWKAA-UHFFFAOYSA-N 295.299 -0.073 50 20 CBGD CCOCCCNC(=O)NNC(=O)c1cccnn1 1119283402 SHHCERWROWXBAT-UHFFFAOYSA-N 267.289 -0.153 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1C=C[C@H](CO)C1 1261452425 CIPVBVRCYPWLCC-UKKRHICBSA-N 283.328 -0.321 50 20 CBGD COCCCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 1261842502 ZDGNDZDLKBUARI-MRVPVSSYSA-N 257.290 -0.771 50 20 CBGD CC(C)(C)C(=O)NNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1319100569 KYFLANJUVCWCSP-UHFFFAOYSA-N 296.283 -0.050 50 20 CBGD COc1ccc(CC(=O)NNC(=O)C(=O)NC(C)C)nc1 1322298399 HWLBOSWJYWPPDV-UHFFFAOYSA-N 294.311 -0.695 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCn1cnccc1=O 1326361917 BEBDATBGZMDWRJ-NXEZZACHSA-N 294.311 -0.794 50 20 CBGD C[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)[C@@H]1CCC(=O)N1 1351381789 PJLGGAQTAFMYPP-CBAPKCEASA-N 279.300 -0.986 50 20 CBGD CCn1nncc1C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1 1549317999 ZKCWMOBGUJDFLI-ZYHUDNBSSA-N 292.343 -0.389 50 20 CBGD O=C(NNC(=O)c1cn(C2CNC2)nn1)c1ccccc1 1580737434 QDITXEODTXOVFF-UHFFFAOYSA-N 286.295 -0.503 50 20 CBGD CN(NC(=O)CNc1ccc(-c2nn[nH]n2)cn1)C1CC1 1591154278 LJPALIFGYDGSRI-UHFFFAOYSA-N 288.315 -0.201 50 20 CBGD C[C@H](O)CN(C)NC(=O)CC[C@@H]1C[C@H](C(=O)O)CO1 1593457055 OSOJQEODZCSNEL-LPEHRKFASA-N 274.317 -0.400 50 20 CBGD O=C(NCC[C@H]1CCSC1)NNC(=O)C(=O)O 1601493912 YVLOQPRFVJJIOZ-LURJTMIESA-N 261.303 -0.455 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cn1ccc(C(=O)O)n1 1604836445 WTHVFNYTYDYYPB-SFYZADRCSA-N 296.283 -0.846 50 20 CBGD CCOC(=O)c1cc(C=NNC(=O)C(=O)O)[nH]n1 1605566426 WLLLCQXFBZFUHI-UHFFFAOYSA-N 254.202 -0.879 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cccn1[C@@H](C)C(=O)O 1606470881 LWVYPFWWAGLDOS-QMMMGPOBSA-N 296.283 -0.060 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1)C1CCOCC1 1608479086 LLIPSFKMAMRUHU-BDAKNGLRSA-N 286.284 -0.807 50 20 CBGD COC(=O)C(=O)NN[C@H](C(=O)O)c1ccccc1 1610150159 YJRLAQDBQJWBQJ-QMMMGPOBSA-N 252.226 -0.394 50 20 CBGD CNC(=O)NNC(=O)c1cccc(CS(C)(=O)=O)c1 56375155 QAAAMBUCNFOSNA-UHFFFAOYSA-N 285.325 -0.195 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=O)c1cccnc1 64729373 ZJZDHKYBDGEYSN-UHFFFAOYSA-N 266.257 -0.459 50 20 CBGD CN1CCO[C@@H](C(=O)NNc2ccc(Cl)nn2)C1 125053964 ARFCYCIHPSZWBI-SSDOTTSWSA-N 271.708 -0.096 50 20 CBGD O=C(COC[C@H]1CCCO1)NNC(=O)c1ccc[nH]1 126307887 MHSLWWBXYJBXJA-SECBINFHSA-N 267.285 -0.029 50 20 CBGD CCNC(=O)NNC(=O)COc1c(C)nn(C)c1C 126694691 PLJXAZKIVPYVEI-UHFFFAOYSA-N 269.305 -0.234 50 20 CBGD CN(C)C[C@@](C)(O)CNS(=O)(=O)CCCCl 228034303 LFBYXZCSQNUVKH-VIFPVBQESA-N 272.798 -0.153 50 20 CBGD CCOC(=O)/C(C#N)=C/NNC(=O)C(=O)NC(CC)CC 265949594 UOCOJSQFGSGYNG-CMDGGOBGSA-N 296.327 -0.117 50 20 CBGD CN1CCN(C(=O)NNC(=O)Cc2ccccc2O)CC1 278684819 QUMMSQZFKLFKJB-UHFFFAOYSA-N 292.339 -0.077 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1CCc2nccn2C1 364340720 RPTICSPFXFRLFG-SECBINFHSA-N 288.311 0.387 50 20 CBGD COC(=O)NCCC(=O)NNc1ncncc1F 495775950 UKCCFTGHYQGEGQ-UHFFFAOYSA-N 257.225 -0.195 50 20 CBGD CCc1c(C(=O)Nc2cccc(B(O)O)c2)nnn1CC 584911961 JLBHMSRZBLBMMA-UHFFFAOYSA-N 288.116 -0.208 50 20 CBGD O=C(NC[C@@H]1CCC[C@H]1O)c1ccc(B(O)O)c(F)c1 584955957 SEIMFCQCWLOTDL-JOYOIKCWSA-N 281.092 -0.604 50 20 CBGD C[C@@H](O)[C@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 584971011 JDXGAVULYPMFSG-ZWNOBZJWSA-N 277.129 -0.258 50 20 CBGD OB(O)c1ccc(CNCCN2CCSCC2)cc1 585032986 SWQKUMBICMHNHA-UHFFFAOYSA-N 280.202 -0.495 50 20 CBGD NC(=O)NCCC(=O)NNC(=O)c1c[nH]c2ccccc12 725906259 XIBXXDDFMLXDIJ-UHFFFAOYSA-N 289.295 -0.013 50 20 CBGD C[C@@H](C(=O)NNC(=O)NC1CC1)N1CCN(C)CC1 732912398 MEWWGQUBFNQSPE-VIFPVBQESA-N 269.349 -0.885 50 20 CBGD COC(=O)[C@@H]1CCCN1CC(=O)NNC(=O)C1CC1 733995290 ACILYKVXDHQJQJ-VIFPVBQESA-N 269.301 -0.819 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc([N+](=O)[O-])n1C 746003377 JAIAVOXIDBWXRY-UHFFFAOYSA-N 255.234 -0.151 50 20 CBGD Cc1nn(C)c(C)c1CC(=O)NNC(=O)N(C)C 746006241 ZBZSWNQZJZAESR-UHFFFAOYSA-N 253.306 -0.118 50 20 CBGD CCN(CC)S(=O)(=O)CC(=O)NNc1cccnn1 753090632 SFRWWYPDQSQYFG-UHFFFAOYSA-N 287.345 -0.409 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)CN(C)C)c(F)c1 776134622 OFWNAJZIUARXGN-UHFFFAOYSA-N 297.286 -0.065 50 20 CBGD C#CCCN1CCN([C@H](C)C(=O)NNC(=O)CC)CC1 776594219 ZBYIOXQUKZYZPW-GFCCVEGCSA-N 280.372 -0.427 50 20 CBGD CCNC(=O)N(C)NC(=O)Cn1cc([N+](=O)[O-])cn1 780710075 XAHZXLXQTQNIRA-UHFFFAOYSA-N 270.249 -0.516 50 20 CBGD CNS(=O)(=O)c1ccc(C(=O)NN=c2cc[nH]cc2)o1 780761495 ZZSXPCDSZFOOPY-UHFFFAOYSA-N 296.308 -0.239 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](CC)C(=O)OC 791634732 IOIOATBEXHEFMF-SFYZADRCSA-N 288.300 -0.325 50 20 CBGD Cn1ccc2ccc(NC(=O)NNC(=O)CO)cc2c1=O 794386069 KSYXWVSZJBEKGB-UHFFFAOYSA-N 290.279 -0.317 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)c2cnn(C)c2)[nH]1 815646590 NAZQWFMWVPEFDH-UHFFFAOYSA-N 291.267 -0.390 50 20 CBGD C=CCCn1cc(C(=O)NNC(=O)NCCCOC)nn1 819163633 LEYGJXJUHSUVDO-UHFFFAOYSA-N 296.331 -0.165 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1COCCN1C1CCCC1 821216913 ASCLQQLDODAXGU-YPMHNXCESA-N 285.388 -0.026 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCCCN(C)C1=O 823912200 BVSLCYVJNROMMX-UWVGGRQHSA-N 257.334 -0.411 50 20 CBGD COCCOCC(=O)NNc1cccc(-c2nn[nH]n2)c1 826160124 GACTVNPAIMAYDS-UHFFFAOYSA-N 292.299 -0.027 50 20 CBGD CCOCC(=O)NNC(=O)NCC(N)(CC)CC 841954790 PSHQEYWKQANEFD-UHFFFAOYSA-N 260.338 -0.129 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)N1CCCCC1 842591746 FCPZKGVYHSPSDA-ZJUUUORDSA-N 291.373 -0.237 50 20 CBGD Cc1nccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1 843645202 LYEVJDUWBZWKMB-VXNVDRBHSA-N 264.285 -0.029 50 20 CBGD CC1CCN(C(=O)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1 843970741 KNMDJABFAYRSCM-MNOVXSKESA-N 297.355 -0.183 50 20 CBGD C#CCNC(=O)NNC(=O)CCCNC(=O)C(C)(C)C 849226252 BKHVZSDWUCQWQO-UHFFFAOYSA-N 282.344 -0.108 50 20 CBGD CN1C(=O)CC[C@H]1CC(=O)NNC(=O)N=c1cc[nH]cc1 854377065 GKUGUNOTWMHMIN-JTQLQIEISA-N 291.311 -0.333 50 20 CBGD C[C@@H]1C[C@@H](C)N(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858696572 LYIXXOIONCIEJF-HLTSFMKQSA-N 268.317 -0.264 50 20 CBGD C[C@H](C(=O)NNC(=O)c1cccc(F)n1)[C@H]1CCC(=O)N1 862236047 HPJRTNYMKKLSMD-JGVFFNPUSA-N 294.286 -0.104 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2noc3c2CCCC3)N1 862452969 PUVZZUYYYNQYSI-MRVPVSSYSA-N 292.295 -0.407 50 20 CBGD CC(C)n1cnc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862458599 GSSZZQGSMJDTLX-QMMMGPOBSA-N 279.300 -0.496 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccc2c(c1)CCO2 863459842 ZKELJALZSAZCKZ-UHFFFAOYSA-N 298.320 -0.573 50 20 CBGD COC(=O)N(C)NC(=O)NCc1ccnc(N(C)C)n1 875463199 UHPCHXUFOJUQDC-UHFFFAOYSA-N 282.304 -0.045 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1COCCN1CC(F)F 910160862 OZCFEWUJNFZANG-IUCAKERBSA-N 281.303 -0.704 50 20 CBGD CCNC(=O)NNC(=O)c1cnc2cc(C)ccn2c1=O 920858481 QQMFOYVAQKTDMA-UHFFFAOYSA-N 289.295 -0.033 50 20 CBGD Cn1ccnc(NNC(=O)c2cc(C#N)c[nH]2)c1=O 1116201888 GWLAIYJZBRTXAL-UHFFFAOYSA-N 258.241 -0.263 50 20 CBGD CC1(CNC(=O)NNC(=O)C(=O)NC2CC2)CCOCC1 1116428386 DAUCYZQBEITPEC-UHFFFAOYSA-N 298.343 -0.588 50 20 CBGD COC(=O)c1cccc(C(=O)N2CC[C@H](B(O)O)C2)n1 1118975914 RYNAVCQRWKOJLH-QMMMGPOBSA-N 278.073 -0.443 50 20 CBGD C=CCNC(=S)NNC(=O)c1ccc(=O)n(C)c1 1118997898 OEDDGCJMKHSMOH-UHFFFAOYSA-N 266.326 -0.320 50 20 CBGD CC(=O)NNC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F 1119033587 PXCCCALESSLRRA-WDSKDSINSA-N 267.207 -0.532 50 20 CBGD O=C(NCCc1cccnc1)NNC(=O)C(=O)NC1CC1 1248695972 ASIBTXTVWXEAHC-UHFFFAOYSA-N 291.311 -0.767 50 20 CBGD O=C(NN=Cc1ccncc1)N[C@@H]1CCS(=O)(=O)C1 1251257742 ZBWFNMFVLYTVOR-SNVBAGLBSA-N 282.325 -0.098 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cn1 1261241034 VYKIWSKNNVFTFU-MRVPVSSYSA-N 289.299 -0.965 50 20 CBGD CNC(=O)c1cccc(C(=O)NNC(=O)N(C)C)n1 1319158763 YRDCZGMCCSVKGV-UHFFFAOYSA-N 265.273 -0.643 50 20 CBGD CCC(=O)N1CC[C@@H](C(=O)NNc2nccn(C)c2=O)C1 1319335794 JPJJLKNBCJGXPO-SECBINFHSA-N 293.327 -0.518 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@]2(F)CCOC2)n[nH]1 1323016982 DJHDQCKZIXCOBG-JTQLQIEISA-N 256.237 -0.392 50 20 CBGD Cc1n[nH]c(C)c1CC(=O)NNc1ccc(C(N)=O)nn1 1323260731 OWNHYEKEKALOCU-UHFFFAOYSA-N 289.299 -0.399 50 20 CBGD Cn1cccc1C(=O)NNS(=O)(=O)c1ncc[nH]1 1324631727 XUFKEPYOTFUELX-UHFFFAOYSA-N 269.286 -0.629 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@](O)(C2CC2)C1 1324807326 NVVLIEJZYQVZQF-TVQRCGJNSA-N 269.345 -0.221 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cc(C(N)=O)ccc1F 1325503927 QXSQMEVBTGVUQZ-UHFFFAOYSA-N 296.258 -0.580 50 20 CBGD CN(NC(=O)CCC(=O)N1CCC(O)CC1)C1CC1 1329151309 IATKEGVNWLQNKQ-UHFFFAOYSA-N 269.345 -0.125 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCCOCC2)N1 1329189687 ANHNRTIAWMSBFA-RKDXNWHRSA-N 284.316 -0.836 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@]12CCOC2)C1CCOCC1 1330831649 WUGNPMWEFDDMRY-MFKMUULPSA-N 268.313 -0.013 50 20 CBGD C=CCn1cc(C(=O)N2CC[C@H](B(O)O)C2)nn1 1331825866 DSQNRKAPUJQLJN-QMMMGPOBSA-N 250.067 -0.847 50 20 CBGD CCc1nocc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1335329756 OCJVJMQIDYNIOH-QMMMGPOBSA-N 266.257 -0.723 50 20 CBGD CCc1ncoc1C(=O)NNC(=O)N1CCN(C)CC1 1338995041 DOHKPILOHDAXPM-UHFFFAOYSA-N 281.316 -0.161 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CC(c2cnn(C)c2)=NO1 1339046400 YVISNHHXIUFHSC-GZMMTYOYSA-N 281.316 -0.743 50 20 CBGD Cc1nn(C)c(C)c1CC(=O)NNc1nccn(C)c1=O 1339890014 BLTVRTGNIHMCPG-UHFFFAOYSA-N 290.327 -0.184 50 20 CBGD O=C(CO[C@@H]1CCOC1)NNC(=O)NCc1ccco1 1339908875 UOMIOKZXLFYAEI-SNVBAGLBSA-N 283.284 -0.085 50 20 CBGD Cc1cncc(CNC(=O)NNC(=O)C(=O)NC2CC2)c1 1341243481 KHDMTNGUPKGRNG-UHFFFAOYSA-N 291.311 -0.501 50 20 CBGD O=C1CCCN1CCC(=O)N1CC[C@H](B(O)O)C1 1348489979 JCTOLJDTCMCOMS-VIFPVBQESA-N 254.095 -0.926 50 20 CBGD C[C@@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccn(C)n1 1349103398 MVXBGOHHJRXCJQ-VXNVDRBHSA-N 294.315 -0.910 50 20 CBGD O=C(Cn1ncnn1)NNCC(F)(F)C(F)(F)F 1521757488 QUMNKZJHNWATMJ-UHFFFAOYSA-N 274.153 -0.509 50 20 CBGD CC(C)[C@H](C(=O)NNC(=O)c1ncon1)[C@@H](C)N 1575415569 UAXBNVQBFLTGFR-RQJHMYQMSA-N 255.278 -0.550 50 20 CBGD C[C@@H](C(=O)O)C(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 1588574087 WJGNITJLPYIHRR-OOJXKGFFSA-N 256.258 -0.578 50 20 CBGD CC(C)(C)[C@H](C(=O)O)C(=O)NNC(=O)c1cccnn1 1588633280 GRHNCVDCEAYSNH-QMMMGPOBSA-N 280.284 -0.016 50 20 CBGD CC[C@@H](CNC(=O)NNC(=O)[C@@H]1CCCCO1)C(=O)O 1589538796 NOKNKMPKWCMBLU-IUCAKERBSA-N 287.316 -0.003 50 20 CBGD CCOC(=O)NNC(=O)Cn1cccc(C(=O)O)c1=O 1596662339 DAIXKEGGXBAFCF-UHFFFAOYSA-N 283.240 -0.676 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1)NC1CC1 1601556112 QMRQLHBQWFUWCU-RQJHMYQMSA-N 257.246 -0.889 50 20 CBGD O=C(O)c1coc(C(=O)NNC(=O)c2cccnn2)c1 1608986459 JHJRZNRQSYUTQJ-UHFFFAOYSA-N 276.208 -0.157 50 20 CBGD Cc1nc(C)c(CNC(=O)NNC(=O)C(=O)O)s1 1610553619 MYQTZCSHPGJZLX-UHFFFAOYSA-N 272.286 -0.325 50 20 CBGD CC(=O)NCCNC(=O)NNC(=O)c1ccccc1O 43141127 MPWWMWZAHIWSOT-UHFFFAOYSA-N 280.284 -0.528 50 20 CBGD C#CCN(CC(=O)O)CC(=O)NNC(=O)c1cccs1 92482889 LKESYCYIBMFZPP-UHFFFAOYSA-N 295.320 -0.471 50 20 CBGD Cc1cc(O)cc(=O)n1CC(=O)NNc1ncc(F)cn1 123155782 MEDXOKBEBRXTTF-UHFFFAOYSA-N 293.258 -0.065 50 20 CBGD CN(C)CCN1C[C@@H](C(=O)NNc2ccncc2)CC1=O 183008001 OJNUMDUHGDXYNA-NSHDSACASA-N 291.355 -0.065 50 20 CBGD COc1nccnc1NNC(=O)[C@H](C)CN1CCOCC1 274119642 SGJZICFVPWGDOD-SNVBAGLBSA-N 295.343 -0.103 50 20 CBGD C[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)[C@H](C)CO1 584927241 DYNAWFVSIFFPGE-NXEZZACHSA-N 263.102 -0.384 50 20 CBGD CO[C@H]1CCC[C@H]1CNC(=O)c1cccc(B(O)O)c1 584971336 PQSMEZGRUFSFAH-AAEUAGOBSA-N 277.129 -0.089 50 20 CBGD CN(C)CC(C)(C)NC(=O)c1ccc(B(O)O)c(F)c1 584997560 FHYXNJPTTBRELN-UHFFFAOYSA-N 282.124 -0.425 50 20 CBGD C[C@@H]1O[C@H](C)C[C@@H]1CNC(=O)c1ccc(B(O)O)cc1 585001996 JTTHCWPPMQNILY-JFGNBEQYSA-N 277.129 -0.090 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)cc1)C(=O)NC(C)(C)C 585022654 VBAMZGYTALFDQM-SNVBAGLBSA-N 278.161 -0.241 50 20 CBGD O=C(NCB(O)O)[C@@H]1CCCN(CC(F)(F)F)C1 585061493 TTXZNDSQYXIPEB-SSDOTTSWSA-N 268.044 -0.611 50 20 CBGD O=C(O)[C@@]1(C(=O)N2CC[C@@H](B(O)O)C2)C[C@H]2CC[C@H]1C2 585063876 JIUQCCZBCYJUGR-XHSYRHOGSA-N 281.117 -0.047 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 726540303 DNICKRHNULOPLE-SSDOTTSWSA-N 250.258 -0.935 50 20 CBGD NC(=O)CNC(=S)NNC(=O)CC1CCCC1 727084192 HAKVZEZUKDYKEO-UHFFFAOYSA-N 258.347 -0.453 50 20 CBGD COCCCNC(=O)NNC(=O)c1cnc(OC)nc1 733953087 BOTPLTRFTZDUOL-UHFFFAOYSA-N 283.288 -0.534 50 20 CBGD O=C(O)NCCCC(=O)NNC(=O)N1CCOCC1 739956803 MECPKOASZSNDAH-UHFFFAOYSA-N 274.277 -0.893 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)C)[C@@H]1CCOC1 744398656 XOXNEXOOVCIXCN-SECBINFHSA-N 257.334 -0.099 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@@H](COC)C1CC1 754203496 JJPVIVNKOWZUGR-SCZZXKLOSA-N 257.334 -0.053 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H](O)c1ccccc1 755285998 YOZLDMYLNJAOGF-LBPRGKRZSA-N 274.280 -0.167 50 20 CBGD C[C@H](NC(=O)NNC(=O)C1CCC1)[C@H]1CN(C)CCO1 770116250 FFRFOBKHZKUMQZ-GXSJLCMTSA-N 284.360 -0.164 50 20 CBGD C[C@H](CC(N)=O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 773694346 WEVZIKONEVOOTD-SSDOTTSWSA-N 294.267 -0.133 50 20 CBGD CS(=O)(=O)c1cccc(NNC(=O)Cn2cnnn2)c1 776714633 KJKUXCMXXFZNCP-UHFFFAOYSA-N 296.312 -0.780 50 20 CBGD CCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)C(C)(C)O 787950559 NIGASWHLVZSQLT-SECBINFHSA-N 285.344 -0.304 50 20 CBGD COC(=O)c1cc(C=NNC(=O)C(=O)NC(C)C)cn1C 790153679 KHTCBUFLTDZZFQ-UHFFFAOYSA-N 294.311 -0.214 50 20 CBGD CC[C@@H](C)CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 790491247 GAIGTKRDEIYSLC-RKDXNWHRSA-N 291.373 -0.060 50 20 CBGD CN(C)c1nccc(NNC(=O)Cc2cncn2C)n1 806902421 YFIXENFICJUYSD-UHFFFAOYSA-N 275.316 -0.038 50 20 CBGD CO[C@@H](C)CC(=O)NNC(=O)N1CCN(C)CC1 807379434 ZWYAWEKEZWHASZ-VIFPVBQESA-N 258.322 -0.600 50 20 CBGD CCN(CCO)NC(=O)c1ccc2c(c1)OCC(=O)N2 823837450 BXEPBSRYJDPSMM-UHFFFAOYSA-N 279.296 -0.024 50 20 CBGD C[C@H](CO)N(C)NC(=O)/C=C/CN1CCOCC1 823922423 KRIFHPYOCMFOCG-PGLGOXFNSA-N 257.334 -0.781 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cc(OC(F)F)n(C)n1 823935875 XQNZKURULLQMDJ-LURJTMIESA-N 278.259 -0.021 50 20 CBGD C[C@@H](NC(=S)NNC(=O)CCNC(=O)O)C1CC1 825466427 SMNBSXKRCLDCFS-ZCFIWIBFSA-N 274.346 -0.062 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H]1COCCO1 825737981 RYVNELMJFKPYMK-LPEHRKFASA-N 287.316 -0.843 50 20 CBGD CC(=O)N[C@@H](C(=O)NNC(=O)[C@@H]1CCCCO1)C(C)C 861852953 MDQGEAFRZQWCKG-WDEREUQCSA-N 285.344 -0.136 50 20 CBGD C[C@@H](NNC(=O)c1cn(C)c(=O)n(C)c1=O)C(F)(F)F 862313108 CEIUJQKYRSYMIU-RXMQYKEDSA-N 294.233 -0.731 50 20 CBGD COc1ncccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862450858 CLLPAJPPUSCLSF-QMMMGPOBSA-N 278.268 -0.870 50 20 CBGD CCCCOCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862456258 WPXAUOSHQXLZJF-MRVPVSSYSA-N 257.290 -0.771 50 20 CBGD CC[C@@H](SC)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862457204 DALLRPUDNGXAQI-NKWVEPMBSA-N 259.331 -0.446 50 20 CBGD O=C(CSCC(F)(F)F)NNC(=O)[C@H]1CCC(=O)N1 862457456 JTPZWBUSAFTEMV-RXMQYKEDSA-N 299.274 -0.292 50 20 CBGD CC(=O)N[C@@H](C(=O)NNC(=O)c1cn[nH]c1)C1CCCC1 862473212 JBZXOMZWWUGWPT-LLVKDONJSA-N 293.327 -0.134 50 20 CBGD COc1ccc(C=NNC(=O)CS(C)(=O)=O)cn1 863187112 XXEQQJAHALOMNO-UHFFFAOYSA-N 271.298 -0.415 50 20 CBGD O=C(NNS(=O)(=O)CCC1CC1)c1cn[nH]c1 863413697 LIERSMLKSMITLW-UHFFFAOYSA-N 258.303 -0.226 50 20 CBGD C=C(C)[C@H](CC(=O)NNC(=O)CS(C)(=O)=O)OCC 863464913 YAJBURVVRYJSRV-VIFPVBQESA-N 292.357 -0.450 50 20 CBGD CC1(CCNCc2ccccc2B(O)O)OCCO1 863890678 BOUNQOLJOFXVLR-UHFFFAOYSA-N 265.118 -0.391 50 20 CBGD COC(=O)N[C@H](C(=O)N1CC[C@H](B(O)O)C1)C(C)C 864232771 CBQMMUDCZSGKKX-IUCAKERBSA-N 272.110 -0.558 50 20 CBGD CCCn1cc(C=NNC(=O)N2CCN(C)CC2)nn1 872369052 ZKGIYHMJWBCQGH-UHFFFAOYSA-N 279.348 -0.021 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCCN1C(=O)C(F)(F)F 910158404 FBURTKYJPWYCFS-HTQZYQBOSA-N 297.277 -0.117 50 20 CBGD CC[C@H]1CC[C@H](C(=O)NNC(=O)CN2CCCC2=O)O1 913731264 AWSQVSNKIBEAQH-VHSXEESVSA-N 283.328 -0.286 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1CCN(C)C(=O)C1 920862045 JTSKUTMXOCTGQF-SECBINFHSA-N 286.332 -0.778 50 20 CBGD CC(=O)NCC(=O)NNC(=O)c1n[nH]c2c1CCCC2 1115824156 ANNVRXRYQXDQDP-UHFFFAOYSA-N 279.300 -0.814 50 20 CBGD O=C(CN1C(=O)CNC1=O)NNc1cc(Cl)ccn1 1116493030 YEZZQPAFQLVYPW-UHFFFAOYSA-N 283.675 -0.270 50 20 CBGD O=C(NNc1nccnc1Cl)c1n[nH]c(O)n1 1251874538 NYIYJQNZCYIPHB-UHFFFAOYSA-N 255.625 -0.289 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCc1csc(C)n1 1252438389 NNPRPMRHLMNBQC-UHFFFAOYSA-N 286.313 -0.503 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1scnc1Cl 1261835267 PCOIVDMYEMINAV-UHFFFAOYSA-N 297.745 -0.398 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCCN(C(N)=O)C1 1318377866 NPSMXWTUHQQAOU-QMMMGPOBSA-N 294.315 -0.730 50 20 CBGD CCNC(=O)NNC(=O)[C@@H](C)CS(C)(=O)=O 1318883289 GVYMRSYZATXOQK-LURJTMIESA-N 251.308 -0.983 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1ccccc1 1320395221 OXXNHLHXQMBUBY-UHFFFAOYSA-N 287.279 -0.262 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cnccc1OC 1320597557 SUCOXPKVFOXMEW-UHFFFAOYSA-N 295.299 -0.279 50 20 CBGD CN(C)C(=O)NNC(=O)c1cccc(C(N)=O)c1 1322111339 SWNHIHPJKCGHFW-UHFFFAOYSA-N 250.258 -0.299 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCCCn1ccnc1C 1322248750 KTRDUYGEQHQDPN-UHFFFAOYSA-N 297.315 -0.525 50 20 CBGD O=C(NNc1ncnc2[nH]cnc12)[C@H]1CCCS1(=O)=O 1327662583 OEGROKIJJMUKLK-ZCFIWIBFSA-N 296.312 -0.627 50 20 CBGD C[C@H](NC(=S)NNC(=O)c1cn(C)nn1)C1CC1 1328373491 RVPWGRPDSUKBEI-LURJTMIESA-N 268.346 -0.278 50 20 CBGD CC(C)n1cc(NC(=O)C(=O)NNC(=O)C2CC2)cn1 1329018026 QBWWQRPSNIQICV-UHFFFAOYSA-N 279.300 -0.040 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CC1CCSCC1 1329591249 ZENHUZKZGOXUCC-UHFFFAOYSA-N 294.398 -0.288 50 20 CBGD COc1ccc(C(=O)NNC(=O)c2ncn(C)n2)cc1 1329943134 TXKYDCXDIHNNGA-UHFFFAOYSA-N 275.268 -0.102 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)C[C@@H]1CCCC(=O)N1 1343688714 GXQFGIYPIXHVQV-QMMMGPOBSA-N 279.300 -0.842 50 20 CBGD CC(C)NC(=S)NNC(=O)c1cnn(CCO)c1 1348423643 FHQHUOKHNUODHD-UHFFFAOYSA-N 271.346 -0.607 50 20 CBGD C[C@H](CC(=O)N1CC[C@@H](B(O)O)C1)n1ccnc1 1348489786 CRBAFECTXVVMCT-NXEZZACHSA-N 251.095 -0.091 50 20 CBGD O=C([C@@H]1CCCN1C(=O)C1CC1)N1CC[C@@H](B(O)O)C1 1351729925 QZNKSSBEOMLVRI-MNOVXSKESA-N 280.133 -0.537 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cnn2c1NC[C@@H](C)C2 1548722946 AWTKXNOCKYSCIU-BDAKNGLRSA-N 267.333 -0.098 50 20 CBGD O=C(NN=Cc1cnon1)[C@H]1CN2CCC[C@@H]2CO1 1549317634 YERRMVAUABSCQJ-NXEZZACHSA-N 265.273 -0.617 50 20 CBGD CCn1nncc1C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1 1549317995 ZKCWMOBGUJDFLI-CMPLNLGQSA-N 292.343 -0.389 50 20 CBGD CC(C)C[C@@H](CNC(=O)NNC(=O)c1ncon1)C(=O)O 1573511003 OINKEDXODHXSMH-ZETCQYMHSA-N 299.287 -0.240 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1[C@@H](CN)C1(F)F 1576902763 CNFXOFBPIXDVQH-ULAWRXDQSA-N 277.271 -0.601 50 20 CBGD CNC(=O)NNC(=O)[C@H]1Cc2ccc(O)cc2N1 1578557480 IJMJGZRJFVXPNK-SECBINFHSA-N 250.258 -0.311 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCCCN)ccc1=O 1579953087 HMPLJFPSGKIGHS-UHFFFAOYSA-N 281.316 -0.932 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@H]1NCc2n[nH]cc21 1580495655 OMCWMUWRZKFMFG-ZETCQYMHSA-N 277.206 -0.346 50 20 CBGD CC(=O)NNC(=O)[C@@H](C)Oc1ccccc1-c1nn[nH]n1 1602949102 ZKGCBBLEXFKFAH-SSDOTTSWSA-N 290.283 -0.199 50 20 CBGD OB(O)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)c2)C1 1607092119 QGMRBZBQQXPDNV-ZETCQYMHSA-N 260.066 -0.685 50 20 CBGD CCOC(=O)N[C@@H](C(=O)NNC(=O)NC)C(C)C 48950284 YZCBUJKHDCRXTR-SSDOTTSWSA-N 260.294 -0.283 50 20 CBGD CCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)CN(C)C 113425545 MKLHEEOGVDLNFE-JTQLQIEISA-N 284.360 -0.514 50 20 CBGD CCNC(=O)CCCC(=O)NNC(=O)c1cc(C)n[nH]1 151195204 MVIFNWSAAVWPDW-UHFFFAOYSA-N 281.316 -0.214 50 20 CBGD CO[C@@H](C)CCC(=O)NNC(=O)C(=O)N1CCCC1 272845311 PGBYPYQQGVVGNR-VIFPVBQESA-N 271.317 -0.429 50 20 CBGD CSCC[C@H](O)C(=O)NNC(=O)NCC(F)(F)F 280897990 DOLQKBWUYDEACT-YFKPBYRVSA-N 289.279 -0.007 50 20 CBGD COCC(=O)N(C)CC(=O)NNC(=O)Nc1ccccc1 283810598 XFOUCNRWVXKSPP-UHFFFAOYSA-N 294.311 -0.056 50 20 CBGD O=C(NC[C@H]1CC[C@@H](CO)O1)NNc1ncncc1F 294418405 YNMFPPFYBDXFHJ-SFYZADRCSA-N 285.279 -0.218 50 20 CBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CO 294683734 PQYLKZYFUQSJON-UHFFFAOYSA-N 273.314 -0.628 50 20 CBGD CCOC(=O)NNS(=O)(=O)c1c[nH]c(C(=O)O)c1 490990075 LIEDNPDGNJVFQC-UHFFFAOYSA-N 277.258 -0.348 50 20 CBGD COC(=O)NCCNC(=O)NNc1nccc(OC)n1 496028640 LVGZIUFIUZWIJC-UHFFFAOYSA-N 284.276 -0.533 50 20 CBGD COC[C@H](C)CNC(=O)c1ccc(B(O)O)c(F)c1 584935484 MDNWJTZSEBQERU-MRVPVSSYSA-N 269.081 -0.482 50 20 CBGD Cc1nc(C(C)(C)NC(=O)c2ccc(B(O)O)cc2)no1 584939099 RJIBNINAJOYAFN-UHFFFAOYSA-N 289.100 -0.277 50 20 CBGD C[C@H](CCN(C)C)NC(=O)c1cccc(B(O)O)c1 584945794 LDUXHHMJVPPYQG-SNVBAGLBSA-N 264.134 -0.564 50 20 CBGD O=C(NC1(CO)CCCC1)c1ccc(B(O)O)cc1 584967308 IXTRRUSDIHUXQT-UHFFFAOYSA-N 263.102 -0.599 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCOCC12CC2 584987014 FTPRJCCLTXQCLQ-UHFFFAOYSA-N 279.076 -0.490 50 20 CBGD COCCN(C)CCNCc1ccc(B(O)O)cc1 585020541 AIVLIKOUCBRQTN-UHFFFAOYSA-N 266.150 -0.966 50 20 CBGD C[C@@H]1CN(C)CC[C@@H]1NCc1ccccc1B(O)O 585022146 JVLUORNRUGLOSG-RISCZKNCSA-N 262.162 -0.204 50 20 CBGD OC[C@H](CC1CC1)NCc1ccc(B(O)O)cc1F 585030733 YMUZSTDFHPSAKY-LBPRGKRZSA-N 267.109 -0.244 50 20 CBGD CC(C)[C@@H](CO)CNCc1cccc(B(O)O)c1 585040086 FURFWSFPFDPDCS-GFCCVEGCSA-N 251.135 -0.280 50 20 CBGD O=C(NN=Cc1ccc(O)c(O)c1)[C@@H]1CCS(=O)(=O)C1 730575827 IRZZVOHCKZATHK-SECBINFHSA-N 298.320 -0.017 50 20 CBGD CCn1nc(C(=O)NNC(=O)C2CC2)ccc1=O 732051271 DFZAHEHDJNKZBA-UHFFFAOYSA-N 250.258 -0.566 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)[C@@H](C)CO1 733194258 DWBWXGLRSLKVLF-IUCAKERBSA-N 255.318 -0.347 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@@H]2CCS(=O)(=O)C2)n1 740112070 CDGTUIYFRIOTQJ-MRVPVSSYSA-N 299.356 -0.580 50 20 CBGD CCOCCCNC(=O)NNC(=O)[C@H]1CCOC1 742846018 FIESKLFMQJNWLZ-VIFPVBQESA-N 259.306 -0.220 50 20 CBGD C[C@@H]1CN(C)CC1=NNC(=O)CN1CCCC1=O 752162607 DYEPHRDWUDZQFZ-SECBINFHSA-N 252.318 -0.338 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc(N2CCCC2=O)cc1 755475540 YOBANMSGWJSHKO-UHFFFAOYSA-N 292.295 -0.042 50 20 CBGD COc1cc(F)ccc1NC(=O)NNC(=O)CO 755666786 DPYHNEWEZORMRZ-UHFFFAOYSA-N 257.221 -0.021 50 20 CBGD CCS(=O)(=O)NCC(=O)NNC(=O)CC(F)(F)F 763958061 CQMWQVFEOCCHKD-UHFFFAOYSA-N 291.251 -0.975 50 20 CBGD COc1cc(C(=O)NNC(=O)c2ccccn2)nn1C 771839861 PZTJPAFUGMVYNW-UHFFFAOYSA-N 275.268 -0.102 50 20 CBGD Cc1ccn(CC(=O)NNC(=O)Cc2cc[nH]n2)c(=O)c1 772230641 MSJNIOBDYOIERO-UHFFFAOYSA-N 289.295 -0.730 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCc3nccn3C2)cn1 787003273 HFPKWXQRYZAXAY-SECBINFHSA-N 288.311 -0.360 50 20 CBGD NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CC(=O)NNC(=O)C1CC1 787331445 MKWMRUKHKICRHY-FOGDFJRCSA-N 294.355 -0.870 50 20 CBGD COCCCOCC(=O)NNC(=O)N=c1cc[nH]cc1 802034231 FRLYMDYSUPYGHD-UHFFFAOYSA-N 282.300 -0.291 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ocnc1C1CC1 809662008 WQQVXTVTRCNEFI-UHFFFAOYSA-N 252.274 -0.125 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCOC1 818390666 KPVRDESIMPTHRX-AEJSXWLSSA-N 256.302 -0.015 50 20 CBGD C[C@@H](CO)N(C)NC(=O)Cc1ccc(C(N)=O)cc1 823927657 CPUXKYDPDDNQDG-VIFPVBQESA-N 265.313 -0.328 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccc(N2CCOCC2)nc1 823976870 KJPHTJOONPEBDO-NSHDSACASA-N 294.355 -0.124 50 20 CBGD CCNS(=O)(=O)c1ccc(CC(=O)NN)cc1 825645035 NLISRGFUMBTCSK-UHFFFAOYSA-N 257.315 -0.483 50 20 CBGD O=C(NNC(=O)C(F)(F)C(F)F)c1ncon1 832825943 MLRXRCUFILAETN-UHFFFAOYSA-N 256.115 -0.269 50 20 CBGD C[C@@H](C(=O)O)n1cccc1C=NNC(=O)C(=O)NC1CC1 833406419 FJZLUXLSAJGCSK-QMMMGPOBSA-N 292.295 -0.138 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)C[C@H]1CCCO1 842591993 HVIYAZWWEMKNCU-IVZWLZJFSA-N 292.357 -0.459 50 20 CBGD CC(=O)N[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)C(C)C 843644837 GJIMDALYXUDUCU-GDPRMGEGSA-N 285.344 -0.281 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@](C)(O)C1CC1 843970820 LTWCUCZUKQRNKM-DXBFQKDVSA-N 256.302 -0.280 50 20 CBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)N1)C1CCCC1 845191815 PBURBGBDEGPHBE-QMMMGPOBSA-N 275.330 -0.984 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 852497932 XWJJLEHJXLWSTL-AXFHLTTASA-N 296.371 -0.467 50 20 CBGD CC[C@@H]1COCC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 853292739 WMGZWMCYLXGCOK-RKDXNWHRSA-N 289.357 -0.115 50 20 CBGD CCCCNC(=S)NNC(=O)COCCOC 854187478 GPIGBRFNFIEHJO-UHFFFAOYSA-N 263.363 -0.055 50 20 CBGD N#CSCCCNC(=O)c1cnn(C[C@H](O)CO)c1 854360428 XBXQHMNIQGNUSZ-JTQLQIEISA-N 284.341 -0.430 50 20 CBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=O)OCC(F)(F)F 856022554 GOOURLCEZQTXSN-IUYQGCFVSA-N 285.178 -0.197 50 20 CBGD CCn1cc(C(=O)NNC(=O)Cc2cc[nH]n2)c(C)n1 859252127 JUWIKMLJBRGODD-UHFFFAOYSA-N 276.300 -0.062 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)o1 859955050 QHFXMBORYAAJIH-APPZFPTMSA-N 281.268 -0.618 50 20 CBGD COC(=O)C[C@H](C)CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862459730 AKHKZNYHYZMKFR-SFYZADRCSA-N 285.300 -0.998 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)c2cn[nH]c2)CC1 862472574 NGPIVUUMCFFLOU-UHFFFAOYSA-N 266.257 -0.486 50 20 CBGD O=C(NNC(=O)C1(F)CCOCC1)c1cn[nH]c1 869384925 HURZGIUDELXXMA-UHFFFAOYSA-N 256.237 -0.311 50 20 CBGD COCCOCC(=O)NNC(=O)CC1(O)CCCC1 869909994 NLIQJSZKJHCWNW-UHFFFAOYSA-N 274.317 -0.508 50 20 CBGD COCC1(C(=O)NN(C)C[C@@H](C)O)CCOCC1 910148913 YXNWSYRUMUEQBA-SNVBAGLBSA-N 260.334 -0.227 50 20 CBGD CN(C)CCCNC(=S)NNC(=O)CCN(C)C 916547175 CJSVVISECFVEAT-UHFFFAOYSA-N 275.422 -0.615 50 20 CBGD CCC[C@H](O)C(=O)NNC(=O)Cc1ccncc1 934044306 TVBLEHZKQYVLIA-JTQLQIEISA-N 251.286 -0.068 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@@H]1CCOC1 1252560918 ZECLPLZUCJVBDF-ZJUUUORDSA-N 289.332 -0.595 50 20 CBGD COc1ccc(C(=O)NNC(=O)CNC(C)=O)cc1 1317760441 FQUYZUNGTXFMBW-UHFFFAOYSA-N 265.269 -0.408 50 20 CBGD CCN1CCCC[C@H]1CNC(=O)NNC(=O)C(=O)OC 1318877000 NYZNOUOADMFAME-VIFPVBQESA-N 286.332 -0.636 50 20 CBGD O=C(NNC(=O)c1nccs1)C(=O)N1CCCC1 1320821459 MGMYNZJWUUEMFR-UHFFFAOYSA-N 268.298 -0.474 50 20 CBGD O=C(NC[C@@H]1CCCOC1)NNC(=O)C(=O)N1CCCC1 1321162927 ZQEGPKQILFTGMY-JTQLQIEISA-N 298.343 -0.634 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1csc(O)n1 1321472606 XUNNSUJFNOTACX-UHFFFAOYSA-N 267.270 -0.425 50 20 CBGD Cn1ccnc(NNC(=O)c2ccc3nc[nH]c3n2)c1=O 1325378443 RBUAXVUBKNHQNJ-UHFFFAOYSA-N 285.267 -0.192 50 20 CBGD Cc1nnc(NNC(=O)[C@@H]2C[C@@]23CCOC3)nc1O 1325526520 UMNPPRMQHIEGRJ-WRWORJQWSA-N 265.273 -0.245 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCCc2cccnc2)N1 1329871711 RJFSYQLVDSHJAC-SNVBAGLBSA-N 291.311 -0.767 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CN2C(=O)CCC2=O)n1 1521429257 MSWSHUBFNYENCE-UHFFFAOYSA-N 290.279 -0.700 50 20 CBGD CC(C)N1CCC[C@H](C(=O)NNC(=O)CCCN)C1 1575700580 RMAWRGUVPLEDLP-NSHDSACASA-N 270.377 -0.007 50 20 CBGD CC[C@@H](C)C[C@H](N)C(=O)NNC(=O)C(=O)NC(C)C 1576984179 WCEBIIDFSIVGEC-BDAKNGLRSA-N 272.349 -0.578 50 20 CBGD COCCOc1ncccc1C(=O)NNC(=O)CCCN 1579073793 XOUXWNJBBBNJAK-UHFFFAOYSA-N 296.327 -0.393 50 20 CBGD NC[C@@H]1[C@H](C(=O)NNC(=O)c2ccc[nH]2)C1(F)F 1580326905 PLDGSKVHIGAKLJ-IYSWYEEDSA-N 258.228 -0.384 50 20 CBGD C=C(CO)C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1588444192 PTLMUZZLVITPSQ-UHFFFAOYSA-N 261.245 -0.747 50 20 CBGD CC[C@H](NC(=O)NNC(=O)C(=O)O)c1ccncc1 1595252329 DPYRCUKORCQEEZ-QMMMGPOBSA-N 266.257 -0.052 50 20 CBGD Cc1cc(=NNC(=O)NC[C@H](F)C(=O)O)cc[nH]1 1600283512 UYBJUYIFNKGYTA-QMMMGPOBSA-N 256.237 -0.139 50 20 CBGD Cc1nnc(NNC(=O)[C@@H](C)CC(=O)O)nc1O 1600798201 BOKFIGOQOUKCPD-BYPYZUCNSA-N 255.234 -0.560 50 20 CBGD CCCC[C@H](COC)NC(=O)NNC(=O)C(=O)O 1605240627 KLKUBNYQAFRRQE-SSDOTTSWSA-N 261.278 -0.393 50 20 CBGD COC(=O)N(C)NS(=O)(=O)CC(C)(C)C(=O)O 1606488304 WQADUGWUVBNIQV-UHFFFAOYSA-N 268.291 -0.370 50 20 CBGD O=C(O)[C@@H]1CC[C@H](C(=O)NN=c2cc[nH]cc2)O1 1608804346 MXAIILMSTNQIES-BDAKNGLRSA-N 251.242 -0.421 50 20 CBGD C[C@@]1(C(=O)NNC(=O)N[C@H]2C[C@@H](C(=O)O)C2)CCCO1 1609810682 RBJUZBSOIFACPL-SXMVTHIZSA-N 285.300 -0.251 50 20 CBGD CNC(=O)NNC(=O)c1cccc(OCC(N)=O)c1 48950189 URMNURMGORBGEQ-UHFFFAOYSA-N 266.257 -0.876 50 20 CBGD CC(C)CCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 124264816 XNYGIHVKLQKFTK-VIFPVBQESA-N 291.373 -0.060 50 20 CBGD CCc1ccccc1NC(=O)C(=O)NNC(=O)CN(C)C 126469489 DSJJVCGSRZDNDI-UHFFFAOYSA-N 292.339 -0.104 50 20 CBGD C#CCOCCC(=O)NNC(=O)c1c[nH]nc1C 132317073 BBZDLXDGPFEUMP-UHFFFAOYSA-N 250.258 -0.481 50 20 CBGD C#CCSCCNC(=O)NNC(=O)c1cnn(C)c1 154822808 TWDGHOKTKVIIKB-UHFFFAOYSA-N 281.341 -0.270 50 20 CBGD CN(NC(=O)c1cccc([N+](=O)[O-])c1N)C(N)=O 181058266 DCNUKPCURXUPFY-UHFFFAOYSA-N 253.218 -0.168 50 20 CBGD CNS(=O)(=O)CCNS(=O)(=O)CCCCCl 190598097 LNDQNEQHAQHFPB-UHFFFAOYSA-N 292.810 -0.526 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCn1cccc1 267721110 BEPIMYQELWBPHQ-NSHDSACASA-N 298.343 -0.130 50 20 CBGD CCO[C@@H]1C[C@H]1C(=O)NNC(=O)C(=O)Nc1ccccn1 268226915 DKTPGYOJYAUDJO-RKDXNWHRSA-N 292.295 -0.408 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)c2cccs2)C[C@@H]1O 387899632 JTYZQTJARCRXNQ-BDAKNGLRSA-N 283.353 -0.178 50 20 CBGD C#CCNC(=O)NNC(=O)CNC(=O)c1cccs1 490603852 GUJGGIIZTXPANP-UHFFFAOYSA-N 280.309 -0.559 50 20 CBGD C[C@H](CNC(=O)c1cc(B(O)O)ccc1F)N(C)C1CC1 584939925 OALBMCHUAYAXBN-SECBINFHSA-N 294.135 -0.282 50 20 CBGD CO[C@@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)C1(C)C 584957659 KHXHLHNBPLABNN-VXGBXAGGSA-N 277.129 -0.090 50 20 CBGD O=C(c1cccc(B(O)O)c1)N(CCCCO)C1CC1 584964333 CSNFDFTZPSXUKS-UHFFFAOYSA-N 277.129 -0.257 50 20 CBGD COCCN(C)CCCNCc1cccc(B(O)O)c1 585017666 HIUOPETVQVVMQH-UHFFFAOYSA-N 280.177 -0.576 50 20 CBGD CSC[C@H](CCO)NCc1cccc(B(O)O)c1 585027852 FACHXIFACAKPQV-LBPRGKRZSA-N 269.175 -0.430 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc(Br)cc1 585053783 CPEKDNXOBRBCGV-UHFFFAOYSA-N 293.935 -0.261 50 20 CBGD O=C([C@@H]1COCCN1C1CCCC1)N1CC[C@H](B(O)O)C1 585063914 KHMKYBWNGNRFCB-AAEUAGOBSA-N 296.176 -0.295 50 20 CBGD O=C(O)[C@@H](C(=O)N1CC[C@@H](B(O)O)C1)C1CCCC1 585068176 YESLAFVJCPBUAP-NXEZZACHSA-N 269.106 -0.047 50 20 CBGD O=C(NNc1nc(-c2cccnc2)no1)[C@H]1COCCO1 728077655 YVWJFEXNNQATPY-SECBINFHSA-N 291.267 -0.010 50 20 CBGD COC(=O)[C@H]1CCCCN1CC(=O)NNC(=O)C1CC1 733193609 ZNDTZFQUJXEARY-SNVBAGLBSA-N 283.328 -0.429 50 20 CBGD C[C@H]1C[C@H](C)CN(S(=O)(=O)NNC(=O)O)C1 736756641 VKKXVVIPCQOUNA-BQBZGAKWSA-N 251.308 -0.019 50 20 CBGD NC(=O)NCCC(=O)NNc1ccc(C(F)(F)F)nn1 755289533 UZECTSHXJHOFPU-UHFFFAOYSA-N 292.221 -0.003 50 20 CBGD COCC(=O)NNC(=O)N=c1cc[nH]cc1[N+](=O)[O-] 757805951 QQAGKCGHXNAGTF-UHFFFAOYSA-N 269.217 -0.789 50 20 CBGD COc1nccnc1NNC(=O)[C@H]1CCS(=O)(=O)C1 764471482 VVEKVLDMXPWXIP-ZETCQYMHSA-N 286.313 -0.637 50 20 CBGD CN(CC(=O)NNc1nccn(C)c1=O)[C@H]1CCSC1 764493445 DOEKXSBZNHTFEO-VIFPVBQESA-N 297.384 -0.339 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCCCN2C)n[nH]1 768275906 CSBVWABADPMCGX-SNVBAGLBSA-N 265.317 -0.037 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)/C=C/c1cnn(C)c1 771950584 ZJXISDMDJYRLSN-CYNONHLPSA-N 294.311 -0.078 50 20 CBGD Cn1cnn(CC(=O)NNC(=O)c2ccccc2F)c1=O 778525510 XKFDBLCKYGHPQL-UHFFFAOYSA-N 293.258 -0.818 50 20 CBGD COc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)CO 782075490 SLMCHAMCHOYBPF-UHFFFAOYSA-N 284.228 -0.252 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CO[C@@H](C)C1 784144547 JDFSVNZBKIFLLH-JGVFFNPUSA-N 257.290 -0.917 50 20 CBGD Cc1c(S(=O)(=O)NNC(=O)NCC2CC2)cnn1C 793381890 QBAOJLAUEPACJK-UHFFFAOYSA-N 287.345 -0.369 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CCc2cnn(C)c2C1 798932506 WPMQYGFORFWZGW-QMMMGPOBSA-N 265.317 -0.125 50 20 CBGD Cn1cnc(C(=O)NNC(=O)N=c2cc[nH]cc2)c1 802026896 XKRAVTVJFBUCMJ-UHFFFAOYSA-N 260.257 -0.297 50 20 CBGD O=C(CCc1ccccc1)NN=C1C(=O)NC(=O)NC1=O 814219284 KVHQDZGYXQVLBJ-UHFFFAOYSA-N 288.263 -0.543 50 20 CBGD CCN(CCO)NC(=O)CSc1nncs1 823852289 BYTHIDKJVYXUNT-UHFFFAOYSA-N 262.360 -0.024 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CCCCO1 839780973 GVPREQBBGPTGOX-PRJMDXOYSA-N 257.246 -0.632 50 20 CBGD COC(=O)N(C)NC(=O)Cc1nc(C2CC2)nn1C 843881938 HYYNIYUQKHFKBU-UHFFFAOYSA-N 267.289 -0.036 50 20 CBGD CC(C)C(=O)NNC(=O)NCc1nnn(C(C)(C)C)n1 847418459 DQMYRSVAXVORRZ-UHFFFAOYSA-N 283.336 -0.086 50 20 CBGD NC[C@H](NS(=O)(=O)CBr)C1CC1 850583767 GYXGTEIKBGEGOB-LURJTMIESA-N 257.153 -0.005 50 20 CBGD COC[C@H](OC)C(=O)NNc1ccc(-n2ccnc2)nn1 854448227 CWUNHCCSENAZDN-VIFPVBQESA-N 292.299 -0.233 50 20 CBGD CCN1CCO[C@H](C(=O)NN(C)C(=S)NC)C1 854924189 GBKMCZHHUALYKL-QMMMGPOBSA-N 260.363 -0.826 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cccc(O)c2)N1 862449400 OMIQKVWTERZZAJ-VIFPVBQESA-N 263.253 -0.568 50 20 CBGD COc1ccsc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862456380 XRMUZWACRBEFEX-ZCFIWIBFSA-N 283.309 -0.204 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2occ3c2CCC3)N1 862461926 NBGFCIQIGWDMNJ-VIFPVBQESA-N 277.280 -0.192 50 20 CBGD CC(C)[C@]1(C)C[C@H]1C(=O)NNC(=O)CS(C)(=O)=O 863464548 IPTMBDMZEIVJPO-KWQFWETISA-N 276.358 -0.139 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@]2(CCOC2)C1 866503234 PEELWLSBVLQILF-CQSZACIVSA-N 275.113 -0.381 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H](O)C(C)(C)C 869907984 HLQLRFCUMDOEKK-SECBINFHSA-N 262.306 -0.796 50 20 CBGD CCCN1CCC[C@H]1C(=O)NNC(=O)COCCOC 869909262 OSXCAONRMWYOHG-NSHDSACASA-N 287.360 -0.329 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccccc1O 869911277 ZWYZLHUCJILIEZ-UHFFFAOYSA-N 268.269 -0.184 50 20 CBGD COc1ccc(CC(=O)NN(C)C[C@H](C)O)nc1 910149350 CSZHCBLGUYVTSN-VIFPVBQESA-N 253.302 -0.024 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CNC(=O)COc1ccccc1 910181650 BMPDLGMHVMGLHB-LLVKDONJSA-N 295.339 -0.475 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](N2CCC2)C1 912900890 UQKUQBDUCDBNKG-CYBMUJFWSA-N 274.129 -0.713 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1ccc(F)cc1 919684966 UYGFIOKGNOOQLN-UHFFFAOYSA-N 288.300 -0.440 50 20 CBGD CC(=O)NNC(=O)c1ncc(C(N)=O)cc1Cl 1117778207 OEJUTTUFNCMKJF-UHFFFAOYSA-N 256.649 -0.385 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1ccnn1C 1118173283 YCOLAMFCPGZDLJ-SFYZADRCSA-N 288.329 -0.845 50 20 CBGD CCOC1(C(=O)N2CC[C@H](B(O)O)C2)CCOCC1 1261843556 KSDAYWWJUJVTEI-JTQLQIEISA-N 271.122 -0.353 50 20 CBGD CCCNC(=O)CCNC(=O)NNC(=O)c1cnn(C)c1 1318920943 REOVHJWAVYBISY-UHFFFAOYSA-N 296.331 -0.720 50 20 CBGD NC(=O)c1ccc(NNC(=O)c2cscn2)nn1 1319142727 ONMOLKWZDKIILG-UHFFFAOYSA-N 264.270 -0.211 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cc(C(N)=O)ccc1C 1320347313 OEQUSYOVSOGELU-UHFFFAOYSA-N 292.295 -0.410 50 20 CBGD CCN1CCN(CCC(=O)NNC(=O)N(C)C)CC1 1322227262 ZUQMZIUDGNKTRU-UHFFFAOYSA-N 271.365 -0.684 50 20 CBGD O=C(COCc1cccnc1)NNC(=O)C(=O)NC1CC1 1322809794 UXECWOWKKYXAQQ-UHFFFAOYSA-N 292.295 -0.976 50 20 CBGD COCCCNC(=O)NNC(=O)c1cncnc1 1323876449 DYEVHIPHYTUOMU-UHFFFAOYSA-N 253.262 -0.543 50 20 CBGD C=CCNC(=S)NNC(=O)c1ccc(C(N)=O)o1 1325106504 ABLXHZJJADNQSU-UHFFFAOYSA-N 268.298 -0.327 50 20 CBGD C[C@H]1CCN(CC(=O)NNC(=O)C2CC2)C[C@H]1C(=O)O 1326186617 AKKOCNZDHHYHPZ-WCBMZHEXSA-N 283.328 -0.414 50 20 CBGD CC(C)NC(=S)NNC(=O)c1ccc(C(N)=O)[nH]1 1329142585 WYICBJBWTUZFGF-UHFFFAOYSA-N 269.330 -0.369 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)Cc1cn(C)nn1 1330582068 VIPFEDYLSADFHW-QMMMGPOBSA-N 268.321 -0.807 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1cnc(C)n1C 1331338819 FFMMQQDPBOQABK-UHFFFAOYSA-N 275.334 -0.417 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)C(F)(F)F 1339524921 DGIIHVQHBSABHE-RXMQYKEDSA-N 269.223 -0.143 50 20 CBGD Cc1c([C@H](C)NCC(=O)NNC(=O)C2CC2)cnn1C 1342348682 RDQQHBYGDSJINK-QMMMGPOBSA-N 279.344 -0.063 50 20 CBGD CC(C)[C@H](CO)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1343607806 BJJVPRLKSIYSQD-UTLUCORTSA-N 273.333 -0.241 50 20 CBGD Cc1cnc(COCC(=O)NNC(=O)c2cnn(C)c2)o1 1345409927 CWUIXGZOUOLVOG-UHFFFAOYSA-N 293.283 -0.306 50 20 CBGD CN(NC(=O)c1cc(CN2CCCC2)on1)C(N)=O 1347485930 XTMBOSVVSKNFLF-UHFFFAOYSA-N 267.289 -0.074 50 20 CBGD C/C(C#N)=C/Cn1c(=O)c(C#N)cn(CC(=O)O)c1=O 1588543075 HEAQMDDGVYTSLZ-WAPJZHGLSA-N 274.236 -0.564 50 20 CBGD CC[C@@](C)(CC(=O)O)NC(=O)c1ccc(B(O)O)cc1 1604901994 VZKPEKFLKSDAHZ-ZDUSSCGKSA-N 279.101 -0.260 50 20 CBGD O=C(O)[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 1606006766 QDELNMKLZCMOIU-SSDOTTSWSA-N 281.048 -0.948 50 20 CBGD O=C(O)[C@H]1C[C@@H](C(=O)NNc2ncnc3[nH]cnc23)C1 1608821939 QMRZTXSQBYIEDB-OLQVQODUSA-N 276.256 -0.093 50 20 CBGD C[C@@H](CC(=O)O)NC(=O)NNC(=O)c1cnn(C)c1 1609885933 SSCVCOMRODGCTC-LURJTMIESA-N 269.261 -0.773 50 20 CBGD NC(=O)C1(C(=O)NNc2ccc(C(=O)O)cn2)CC1 1610634788 INNFSWOJUJELLI-UHFFFAOYSA-N 264.241 -0.512 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CN(C)C(C)C 110761770 HHBALQKDWPAVSM-UHFFFAOYSA-N 253.306 -0.181 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)CCN1CCOCC1 114464299 QLLQYCCOJDCWBE-NSHDSACASA-N 286.376 -0.804 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc2[nH]nnc2c1 170796405 BWXKYGQFNNUXCO-UHFFFAOYSA-N 262.273 -0.720 50 20 CBGD CN(C)c1ccc(C(=O)NNC(=O)CO)c(F)c1 182752110 BYDWCEKSIVQHDN-UHFFFAOYSA-N 255.249 -0.355 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)CNc2ccccc2)C1 188344024 BHHIBYBFJMDTSF-UHFFFAOYSA-N 290.323 -0.276 50 20 CBGD COCCO[C@H](C)C(=O)NN[C@H](C(N)=O)c1ccccc1 267041911 CVGUYUNMHBZJGW-PWSUYJOCSA-N 295.339 -0.115 50 20 CBGD Cc1cccnc1NNC(=O)Cn1ncn(C)c1=O 276797605 XSUQPHGBJYSRFF-UHFFFAOYSA-N 262.273 -0.571 50 20 CBGD COc1ccc(C(=O)NNC(=O)C(C)(C)O)nn1 277905624 HHIXLIILPJGXMB-UHFFFAOYSA-N 254.246 -0.983 50 20 CBGD CCOC(=O)NNC(=O)CNC(=O)c1cccc(O)c1 495533892 OUGXQXGMISNZNQ-UHFFFAOYSA-N 281.268 -0.101 50 20 CBGD CCC[C@@H](CCO)CNC(=O)c1cccc(B(O)O)c1 584960626 STPWPVCHXHJUSD-NSHDSACASA-N 279.145 -0.105 50 20 CBGD C[C@@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)[C@@H]1CO 584971123 XRPLCHUHUMMECW-NOZJJQNGSA-N 295.119 -0.262 50 20 CBGD CCN(CCCN(C)C)C(=O)c1cc(B(O)O)ccc1F 584980118 QSYLREFTPJLUOJ-UHFFFAOYSA-N 296.151 -0.081 50 20 CBGD CCn1ncnc1CNC(=O)c1cc(B(O)O)ccc1F 584986290 YRJBKVADMCKUBW-UHFFFAOYSA-N 292.079 -0.953 50 20 CBGD O=C(NC1(CCO)CCCC1)c1ccc(B(O)O)c(F)c1 584989125 XWYVJPRUAVHGDI-UHFFFAOYSA-N 295.119 -0.070 50 20 CBGD CN(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(B(O)O)cc1 585001344 WKTLGANGOBIFTC-KGLIPLIRSA-N 290.172 -0.031 50 20 CBGD CCCNC(=O)CCNCc1ccccc1B(O)O 585017999 DKYTYBRCROHOKS-UHFFFAOYSA-N 264.134 -0.628 50 20 CBGD CN(CCNCc1ccccc1B(O)O)CC(F)(F)F 585023358 GMVAGMQKPSJEPQ-UHFFFAOYSA-N 290.094 -0.050 50 20 CBGD C[C@H]1Oc2ccccc2N(CCC(=O)NCB(O)O)C1=O 585060341 CYDCHSOWDJCVSB-SECBINFHSA-N 292.100 -0.681 50 20 CBGD CCOCC(=O)NNC(=O)NCc1ccc(C(N)=O)cc1 731280998 MAVSIIMZQBWLTE-UHFFFAOYSA-N 294.311 -0.348 50 20 CBGD C[C@@H](C(=O)NNC(=O)C1CCC1)N1CCN(C)CC1 732293048 WPOJLGFABJFUAX-JTQLQIEISA-N 268.361 -0.430 50 20 CBGD CN1CCN(CC(=O)NNC(=O)c2ccncc2)CC1 746090588 FJEMQXKXSAGYBJ-UHFFFAOYSA-N 277.328 -0.910 50 20 CBGD COCCC1(C(=O)NNC(=O)N2CCOCC2)CC1 746147817 UZDWSMXDKDGHNG-UHFFFAOYSA-N 271.317 -0.124 50 20 CBGD CC(C)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 748838339 QRLFAXRWLFGHSN-MRVPVSSYSA-N 279.300 -0.434 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=S)N[C@@H](C)C1CC1 751620646 KRLKAZGJVXRHBF-BQBZGAKWSA-N 272.374 -0.195 50 20 CBGD CC(C)C1(O)CN(CC(=O)NNC(=O)C(C)(C)C)C1 773894837 BQRUZUDJURUYQT-UHFFFAOYSA-N 271.361 -0.117 50 20 CBGD COC(=O)CNC(=O)NNC(=S)NCCSC 779721337 OEFWDTCSMDRGRJ-UHFFFAOYSA-N 280.375 -0.799 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)Cc1ccccc1CO 779767464 HWHOHPKIYWEEPJ-UHFFFAOYSA-N 288.307 -0.165 50 20 CBGD CC(=NNC(=O)C(N)=O)c1cccc(N2CCC2=O)c1 794858796 WHHMLQRRQXKNJT-UHFFFAOYSA-N 274.280 -0.251 50 20 CBGD O=C(NNC(=O)[C@H]1CCCSC1)c1ncon1 832826386 YMVSQUCTIDYDMR-LURJTMIESA-N 256.287 -0.026 50 20 CBGD C=CCn1cc(C(=O)NNC(=O)NCCC)nn1 843776713 RJWGFBHHFDIUTK-UHFFFAOYSA-N 252.278 -0.182 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCn1cccn1 843976247 WQSVXNQPDGQYIJ-VHSXEESVSA-N 266.301 -0.154 50 20 CBGD O=C(NNc1ccnc(F)c1)[C@@H]1CCS(=O)(=O)N1 845929361 BMGZXIHIBVJSQT-ZETCQYMHSA-N 274.277 -0.645 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)NCCOCCF 852060296 UDALRFVLIRDEAS-UHFFFAOYSA-N 284.291 -0.059 50 20 CBGD NS(=O)(=O)C1(C(=O)NNc2ccnc(Cl)c2)CC1 855466600 RRJVDPRMAVAYGJ-UHFFFAOYSA-N 290.732 -0.001 50 20 CBGD O=C(NNC(=O)[C@@H]1CC12CCOCC2)c1cn[nH]c1 855568812 NCQFBAHSPAWMIZ-VIFPVBQESA-N 264.285 -0.013 50 20 CBGD COCCCOCCC(=O)NNC(=O)CN(C)C 857105642 OVGWKFZIJOYVLS-UHFFFAOYSA-N 261.322 -0.861 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C 858168155 NZSZQZWOYGQXDA-JXUBOQSCSA-N 285.344 -0.282 50 20 CBGD O=C(NCCOC[C@@H]1CCCO1)NNC(=O)c1cn[nH]c1 858224279 AHRNBKXKKQBGCJ-JTQLQIEISA-N 297.315 -0.451 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN[C@@H](C)C(F)(F)F 862314104 VFPOFINNRIIORQ-WHFBIAKZSA-N 277.268 -0.504 50 20 CBGD Cc1cc(C)nc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862460517 FHUQSFQYKIDGJG-VIFPVBQESA-N 276.296 -0.262 50 20 CBGD CC[C@@]1(C(=O)NNC(=O)[C@@H]2CCCCO2)CCNC1=O 868619035 FWYIHJOOJJMZLL-TVQRCGJNSA-N 283.328 -0.381 50 20 CBGD CC(=NNC(=O)C(=O)N1CCCC1)c1cn(C)cn1 872347008 FKCLSSWPNVTYBC-UHFFFAOYSA-N 263.301 -0.117 50 20 CBGD C#CCCCC(=O)NNC(=O)CN1CCOC1=O 887152178 ZSAQVVHBCABDSJ-UHFFFAOYSA-N 253.258 -0.611 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc(O)nc2c1CCCC2 894135620 XQSLFAMIEQALCN-UHFFFAOYSA-N 292.339 -0.011 50 20 CBGD CN(C)CCn1nccc1C(=O)NNC(=O)NCC1CC1 900384850 MPWMOILUAABYRD-UHFFFAOYSA-N 294.359 -0.201 50 20 CBGD O=S(=O)(CCCCl)N1CCN(c2nc[nH]n2)CC1 907340829 WNWAMYNRWLWVOF-UHFFFAOYSA-N 293.780 -0.115 50 20 CBGD Cc1csc(C(=O)NNC(=O)[C@H]2OCCN(C)C2=O)c1 912977287 IFTWGYYASJSWQO-SECBINFHSA-N 297.336 -0.325 50 20 CBGD C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 913733070 UUVLYZKCFVBGGL-SBMIAAHKSA-N 283.328 -0.430 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)NC[C@H]1CCOC1 1115990313 ZUURMOCTBWUXGH-LLVKDONJSA-N 278.312 -0.009 50 20 CBGD O=C1NCC[C@H]1C(=O)NNc1nc2ccccn2n1 1118749109 NGTHSIHMKZYGSW-SSDOTTSWSA-N 260.257 -0.692 50 20 CBGD O=C(CC1CC1)NNC(=O)CN1CCC(CO)CC1 1120657228 UUOJJKXWGIEBRP-UHFFFAOYSA-N 269.345 -0.362 50 20 CBGD COCC(=O)N[C@H](C(=O)NNc1ccn(C)n1)C(C)C 1256183236 BVXIZYBEACPIAW-NSHDSACASA-N 283.332 -0.350 50 20 CBGD CN(NC(=O)c1cnc2sccn2c1=O)C(N)=O 1319727249 ONZHBIOMTPTRTI-UHFFFAOYSA-N 267.270 -0.589 50 20 CBGD C#CCNC(=S)NNC(=O)Cc1cc(O)nc(S)n1 1319731952 AMAHQGPURXKNMW-UHFFFAOYSA-N 297.365 -0.858 50 20 CBGD Cc1nn(C)cc1C=NNC(=O)[C@@H](C)NS(C)(=O)=O 1320193944 QHXBLGDPHXHZBT-MRVPVSSYSA-N 287.345 -0.884 50 20 CBGD CSCCNC(=S)NNC(=O)c1cnccn1 1322930379 CVSKAUSDYZYCLL-UHFFFAOYSA-N 271.371 -0.052 50 20 CBGD COC(=O)c1ccc(NNC(=O)C(=O)NC2CC2)nc1 1323053241 YXIATFJGJYPGNL-UHFFFAOYSA-N 278.268 -0.410 50 20 CBGD CN(NC(=O)c1coc(S(=O)(=O)N(C)C)c1)C(N)=O 1323658878 BGPWXYIOPVHKBE-UHFFFAOYSA-N 290.301 -0.815 50 20 CBGD COC(=O)C(=O)NN=C1C(=O)Nc2cc(N(C)C)ccc21 1324611308 OKOABCWVACGTSH-UHFFFAOYSA-N 290.279 -0.302 50 20 CBGD CN1CC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1=O 1330568026 QZXLRSGUMUCKHN-MRVPVSSYSA-N 295.274 -0.605 50 20 CBGD O=C(NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ncccn1 1336464458 IPKINHZCLMEIGS-MRVPVSSYSA-N 289.295 -0.752 50 20 CBGD O=C(CN1CCC(=O)NC1=O)NNc1ncccc1F 1345768128 HLOSRNDPORPWEU-UHFFFAOYSA-N 281.247 -0.394 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCc2nncn2C1 1346067664 HCJKJYOTYANILT-LPEHRKFASA-N 293.327 -0.587 50 20 CBGD O=C(NNC(=O)[C@H]1[C@H]2CCNC[C@H]21)c1ccccn1 1580735700 CVTYRNMKKIFPIT-NGZCFLSTSA-N 260.297 -0.302 50 20 CBGD O=C(NNc1ncccn1)Nc1ccnn1C1CNC1 1580742724 FJKFECFGCOGIHQ-UHFFFAOYSA-N 274.288 -0.034 50 20 CBGD C[C@@H](C(=O)O)C(=O)NNc1ccccc1S(N)(=O)=O 1588576744 WVFIPBDQVNMSRE-ZCFIWIBFSA-N 287.297 -0.502 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccsc1C(=O)O 1590882449 FIMKACNUPHJLKC-UHFFFAOYSA-N 272.282 -0.022 50 20 CBGD COCC(=O)NNC(=O)Nc1ccc(-c2nn[nH]n2)cn1 1591367545 NKJDQGMPTHOSRX-UHFFFAOYSA-N 292.259 -0.939 50 20 CBGD CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)NCC(=O)O 1592465964 QGBPCVBFUGPJTF-QMMMGPOBSA-N 270.289 -0.195 50 20 CBGD CCOC(=O)NNC(=O)Nc1nn(C)cc1C(=O)O 1596664634 CMSOKHHKFGCDBD-UHFFFAOYSA-N 271.233 -0.099 50 20 CBGD O=C(NNC(=O)[C@@]1(C(=O)O)CCCO1)[C@H]1CCCS1 1605814588 IQZHMQFSQHNEIY-RDDDGLTNSA-N 288.325 -0.337 50 20 CBGD O=C(O)c1cccnc1NNC(=O)C1(O)CCOCC1 1606528645 NVKDFDOGZKFIAR-UHFFFAOYSA-N 281.268 -0.236 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H](c1ccncc1)C1CC1 1608478236 WWLMPSSLPWMUFH-SECBINFHSA-N 278.268 -0.052 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccnc(N(C)C)c1 109704900 GUPKBIBSMVPADB-UHFFFAOYSA-N 265.317 -0.530 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cncnc2C)[nH]n1 151218193 FGVAINIEVZZHBX-UHFFFAOYSA-N 260.257 -0.109 50 20 CBGD CNC(=O)NNS(=O)(=O)c1sccc1OC 268339084 FXIGWBDUIWQLBE-UHFFFAOYSA-N 265.316 -0.121 50 20 CBGD CC[S@](=O)CC(=O)NNc1nccnc1OC 279251223 SXLBGEUKYICMIN-KRWDZBQOSA-N 258.303 -0.303 50 20 CBGD C[C@@H](CNS(=O)(=O)CBr)C(=O)O 379311637 OWXOYTGBENTXJW-BYPYZUCNSA-N 260.109 -0.021 50 20 CBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)OC 495448002 KQBVGDJJFIDOJB-UHFFFAOYSA-N 267.307 -0.955 50 20 CBGD COC[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(C)C 584949127 CUMRBCKVLPZGTE-GFCCVEGCSA-N 265.118 -0.233 50 20 CBGD CC[C@@H](C)[C@@](C)(O)CNC(=O)c1ccc(B(O)O)cc1 584951078 IBBSQCHXOOBSKR-YGRLFVJLSA-N 279.145 -0.107 50 20 CBGD CCCN(CCN(C)C)C(=O)c1cc(B(O)O)ccc1F 584951884 TXBGIAYDRYAEJY-UHFFFAOYSA-N 296.151 -0.081 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@H]2[C@H](O)CC[C@H]2C1 584974675 WXRVQVOMTVSNPI-RLCGTCKNSA-N 293.103 -0.652 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O 584986603 HBJLZJQMHCNHJX-IKOPJOCTSA-N 287.124 -0.792 50 20 CBGD C[C@H]1C[C@H](CO)CN(C(=O)c2ccc(B(O)O)cc2)C1 584998875 BPVFTIVUBQSAQE-QWRGUYRKSA-N 277.129 -0.543 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)o1)[C@H]1CCCOC1 585035034 XIUOUZSAKVNJPH-ZJUUUORDSA-N 253.107 -0.136 50 20 CBGD CC(C)CC(=O)N[C@H](C(=O)NCB(O)O)C(C)C 585056140 POTQBOXJLAZLJQ-JTQLQIEISA-N 258.127 -0.699 50 20 CBGD CCCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](B(O)O)C1 585072204 JTLBGIXOLCCXRB-WDEREUQCSA-N 282.149 -0.147 50 20 CBGD O=C(Cc1ccccc1)NCC(=O)N1CC[C@@H](B(O)O)C1 585074158 JDDLZPJUOSEBOF-GFCCVEGCSA-N 290.128 -0.579 50 20 CBGD NC(=O)CNC(=S)NNC(=O)NC1CCCC1 727085824 ULJVPJFRZHZARA-UHFFFAOYSA-N 259.335 -0.907 50 20 CBGD O=C(NCCC(=O)N1CCOCC1)NNc1cccnn1 736379883 YUHHRTGDKICWJZ-UHFFFAOYSA-N 294.315 -0.648 50 20 CBGD O=C(O)NCCC(=O)NNC(=O)COc1ccccc1O 738656313 DQEAEZOVMYSLMI-UHFFFAOYSA-N 297.267 -0.424 50 20 CBGD N=C1NC(=O)[C@@H](CC(=O)NNC(=O)c2ccccn2)S1 745415102 GKTHSTAUGYJINN-SSDOTTSWSA-N 293.308 -0.601 50 20 CBGD COCCO[C@@H](C)C(=O)NN=C1CCCS(=O)(=O)C1 748258616 QIATUYMXXQOOOL-VIFPVBQESA-N 292.357 -0.281 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(CC)[C@@H](C)C1 754385977 KORJNOUFORSDED-QWRGUYRKSA-N 270.377 -0.042 50 20 CBGD O=C(CCOC[C@H]1CCCO1)NNC(=O)Cc1cc[nH]n1 755289842 WBJQZAUFGUEGGP-LLVKDONJSA-N 296.327 -0.315 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cc([N+](=O)[O-])c[nH]1 756798023 VZSFWEXDDHLAJG-UHFFFAOYSA-N 256.218 -0.545 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnsn1 772032348 MZXVNHLGXXXMCY-RXMQYKEDSA-N 272.286 -0.359 50 20 CBGD COCCONC(=O)NNC(=O)COc1ccccc1O 789341593 GULUWHNBBQOYPH-UHFFFAOYSA-N 299.283 -0.321 50 20 CBGD C=CCNC(=S)NNC(=O)CCn1cnccc1=O 794199439 FSIFEUZJVDCKJO-UHFFFAOYSA-N 281.341 -0.685 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)[C@@H]1CCCOC1 796198321 IVSSKSSDWHZRIN-SNVBAGLBSA-N 255.318 -0.345 50 20 CBGD C=CCNC(=S)NNC(=O)c1cc(OC)n(C)n1 798304902 NPGFFMUYDJPFBF-UHFFFAOYSA-N 269.330 -0.276 50 20 CBGD O=C(CNC(=O)c1ccco1)NN=C1CC(C(=O)O)C1 814826709 FGDSYAZLQGBRQO-UHFFFAOYSA-N 279.252 -0.024 50 20 CBGD COC(=O)c1ccc(C(=O)NN(C)[C@@H](C)CO)cn1 823977170 PWEGFOHMUSLRFZ-QMMMGPOBSA-N 267.285 -0.174 50 20 CBGD Cc1nccn1CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843971200 PNARROLIYQVXMC-WCBMZHEXSA-N 266.301 -0.236 50 20 CBGD CCC(CC)(CO)C(=O)NNC(=O)c1cnn(C)c1 847505996 GFHAUERWHIUQOP-UHFFFAOYSA-N 268.317 -0.020 50 20 CBGD C=C(C)CCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858512813 DHLXHKYAXODYFG-QMMMGPOBSA-N 254.290 -0.438 50 20 CBGD CCC[C@H](CC)S(=O)(=O)NNC(=O)[C@@H]1CCC(=O)N1 863413700 XHFRVBYSAVZZAM-IUCAKERBSA-N 291.373 -0.206 50 20 CBGD C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)CS(C)(=O)=O)[C@H]1C 863467962 OBPNJLFTUFNCPZ-QHOPCYEYSA-N 292.357 -0.762 50 20 CBGD CCCCNC(=O)NNC(=O)c1ccc(B(O)O)cc1 863871685 XTMWIKJPFAXJKD-UHFFFAOYSA-N 279.105 -0.890 50 20 CBGD CNC(=O)[C@H](CC(C)C)NCc1cccc(B(O)O)c1 863887999 CDIQHIRRPSUQAX-ZDUSSCGKSA-N 278.161 -0.383 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)CC1(N(C)C)CC1 867117091 AGXKWZBVMBOVDH-UHFFFAOYSA-N 278.378 -0.424 50 20 CBGD COCCN(C)NC(=O)Nc1cccn(C)c1=O 878783159 NEEWJXHYVCHURL-UHFFFAOYSA-N 254.290 0.000 50 20 CBGD CO[C@H](CC(C)C)C(=O)NNC(=O)CN1CCCC1=O 913733590 OCRHSRJGGXYISI-SNVBAGLBSA-N 285.344 -0.183 50 20 CBGD O=C(NC[C@H]1COCCO1)NNC(=O)C1CCCC1 918106996 GDILJUMPQKAZAH-JTQLQIEISA-N 271.317 -0.078 50 20 CBGD CC(=O)NNC(=O)[C@H]1CN(C(C)=O)c2ccccc2O1 919405728 XXZWXEVXIHOETK-GFCCVEGCSA-N 277.280 -0.032 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1n[nH]c2c1CCC2 920433137 OSSZHBVTRNFSMB-UHFFFAOYSA-N 291.311 -0.718 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CN2CC[C@@H]2CO)cc1 934021485 HDYQDFSXXDUAQC-GFCCVEGCSA-N 277.324 -0.177 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc([N+](=O)[O-])cn1C 1115823980 IVJUULDVEGBTLD-UHFFFAOYSA-N 297.271 -0.781 50 20 CBGD O=C(CCc1cnccn1)NNC(=O)N1CCOCC1 1256331640 JIGCJPSXDBVKHP-UHFFFAOYSA-N 279.300 -0.518 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@@H]1COCCO1 1323465844 NSDSPNWTKHMCKZ-JTQLQIEISA-N 265.269 -0.813 50 20 CBGD CC(=NNC(=O)C(=O)NC(C)C)c1cnnn1C 1324202763 XEUXYSPFKBJLFB-UHFFFAOYSA-N 252.278 -0.820 50 20 CBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)Cc1cccnc1 1326743914 PCWAKQQAYQGLDE-ZJUUUORDSA-N 276.296 -0.717 50 20 CBGD CCc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc(O)n1 1329200733 GSRMKWRMRDYHSP-VIFPVBQESA-N 292.295 -0.611 50 20 CBGD Cc1[nH]ccc1C(=O)NNC(=O)CS(C)(=O)=O 1330167530 CWMBRWPHMXVVIW-UHFFFAOYSA-N 259.287 -0.871 50 20 CBGD Cc1nc(C)c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)o1 1330547279 DWEFMIIGJZGBOQ-ZETCQYMHSA-N 266.257 -0.669 50 20 CBGD CC[C@@H](C(=O)NNC(=O)C1CCOCC1)[C@H](C)O 1333588908 TVACBBMMBLDPQN-WCBMZHEXSA-N 258.318 -0.033 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NNC(=O)c1cn[nH]c1 1334906692 AYQDQDZCOCVXHI-UHFFFAOYSA-N 268.277 -0.569 50 20 CBGD O=C(CN1CCC(CO)CC1)NN=c1cc[nH]cc1 1335893484 XVMWVECOQDZBIL-UHFFFAOYSA-N 264.329 -0.349 50 20 CBGD CN(C)CCn1nccc1C(=O)NNc1ncccn1 1339055073 XJTNTNSTSZBSFH-UHFFFAOYSA-N 275.316 -0.008 50 20 CBGD Cn1cnc(C(=O)NNC(=O)NC2CCCC2)n1 1347472985 HGJZAKUPQRGGJJ-UHFFFAOYSA-N 252.278 -0.298 50 20 CBGD CNC(=O)NNC(=O)c1n[nH]cc1Br 1350747739 PBDRPEFBVXXBMY-UHFFFAOYSA-N 262.067 -0.254 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2occ3c2CCOC3)N1 1351627032 DQPRUMKNAVKKLH-VIFPVBQESA-N 293.279 -0.608 50 20 CBGD COC(=O)C[C@H](N)C(=O)NNc1ccccc1C(=O)OC 1578819042 KPZGBUQPBYRFFG-VIFPVBQESA-N 295.295 -0.193 50 20 CBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)c1ccnnc1 1592359346 CHFPYDRAGYMECT-LURJTMIESA-N 252.230 -0.652 50 20 CBGD Cn1ccnc(NNC(=O)[C@@H](C(=O)O)C(C)(C)C)c1=O 1594551701 SXUHEBMNZLOSLJ-ZETCQYMHSA-N 282.300 -0.030 50 20 CBGD CN1C[C@H](C(=O)NNc2ccc(C(=O)O)cn2)NC1=O 1598559804 MCJQQDXXJVWXLM-SSDOTTSWSA-N 279.256 -0.754 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccnc(C(=O)O)c1 1598661902 OJDCYMPUPYRJGY-UHFFFAOYSA-N 268.298 -0.139 50 20 CBGD CN(CCCC(=O)O)CC(=O)NNC(=O)C(C)(C)C 1604161710 SXFTWPCLFKXQMN-UHFFFAOYSA-N 273.333 -0.024 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O 1604859415 KCYVCEBUXCKASP-QHOPCYEYSA-N 269.301 -0.805 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCC2(C(=O)O)CCC2)nn1 1605481129 MKXDTZXMYNDVRC-UHFFFAOYSA-N 296.287 -0.986 50 20 CBGD Cn1ncc(C(=O)O)c1NC(=O)NNC(=O)C1CC1 1608156591 SUEVNORDNMXBGQ-UHFFFAOYSA-N 267.245 -0.319 50 20 CBGD O=C(O)CNC(=O)NN=Cc1ccccc1OCC(=O)O 1608754475 HKOCJVYBPXWKLT-UHFFFAOYSA-N 295.251 -0.132 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cccn1C)n1cncn1 193004318 ANNDVWSFPQKJOE-QMMMGPOBSA-N 262.273 -0.361 50 20 CBGD C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NNC(=O)C(C)(C)C 193872878 ANQWYMFVNKHTCA-HTQZYQBOSA-N 270.333 -0.113 50 20 CBGD C[C@H](Oc1ccccc1)C(=O)NNC(=O)C(=O)NC1CC1 263825759 SBTAHWRBXUWZHP-VIFPVBQESA-N 291.307 -0.120 50 20 CBGD CN(C)CCN1C[C@@H](C(=O)NNc2ncccn2)CC1=O 265063524 RNDQKTXMKXYBKU-JTQLQIEISA-N 292.343 -0.670 50 20 CBGD CC(=O)OC(C)(C)C(=O)NNC(=O)N1CCOCC1 275331559 QFGHVGPVIGTHDE-UHFFFAOYSA-N 273.289 -0.599 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cnn(C)c2)CC1 278783541 ZCULACVNPYSZOJ-UHFFFAOYSA-N 266.305 -0.978 50 20 CBGD COc1cccc(NNC(=O)NCCNC(C)=O)n1 278942316 MEJIUKNWQCVOKX-UHFFFAOYSA-N 267.289 -0.148 50 20 CBGD CNC(=O)NCCC(=O)NNc1ccc(OC)cn1 294714683 WSNAJLJWWUXOAR-UHFFFAOYSA-N 267.289 -0.148 50 20 CBGD NC(=O)C1(NS(=O)(=O)CBr)CC1 308078077 GXTCPNKZXKKQNE-UHFFFAOYSA-N 257.109 -0.724 50 20 CBGD N#CC1(C(=O)Nc2cccc(B(O)O)c2)CCOCC1 584911839 ZJHLQOQYAUBMLZ-UHFFFAOYSA-N 274.085 -0.375 50 20 CBGD O=C(NCCCN1CCCCC1)c1ccc(B(O)O)cc1 584925743 NCGLKULCYMXDNS-UHFFFAOYSA-N 290.172 -0.028 50 20 CBGD Cn1ncc2c1CCC[C@@H]2NC(=O)c1cccc(B(O)O)c1 584930719 BTCBQSSGDXNIMF-ZDUSSCGKSA-N 299.139 -0.093 50 20 CBGD CCCN1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584941925 DDAGUWIKVQLHCL-UHFFFAOYSA-N 276.145 -0.466 50 20 CBGD O=C(N[C@@H]1CCC[C@H]1CCO)c1ccc(B(O)O)cc1 584974358 NRBCOJZYFCKFHQ-GXFFZTMASA-N 277.129 -0.353 50 20 CBGD O=C(N[C@H]1CC12CCOCC2)c1cc(B(O)O)ccc1F 584997434 GLKYAMXWIYBEHP-LBPRGKRZSA-N 293.103 -0.196 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@H]2CCOC[C@H]2C1 585004978 UADKVMZOPIUHMY-NXEZZACHSA-N 293.103 -0.386 50 20 CBGD CO[C@@H]1COCC[C@@H]1CNCc1ccc(B(O)O)cc1 585044122 YYEHCTULXMQLBM-TZMCWYRMSA-N 279.145 -0.493 50 20 CBGD O=S(=O)(NCB(O)O)c1cnn(C2CCCC2)c1 585056834 CAWPBOKDLMTHCU-UHFFFAOYSA-N 273.123 -0.712 50 20 CBGD CC(=O)NNC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 725907224 FWSIIHKUKRJTKO-UHFFFAOYSA-N 291.716 -0.232 50 20 CBGD O=C(NNC(=O)C1(C(=O)NC2CC2)CC1)N1CCOCC1 726163061 IEXONLUGUFVRBN-UHFFFAOYSA-N 296.327 -0.882 50 20 CBGD CCn1cc(C=NNC(=O)C(=O)NC(C)C)cn1 732528712 VWMCISGEQXCZEN-UHFFFAOYSA-N 251.290 -0.122 50 20 CBGD C[C@H]1[C@@H](C)N(CC(=O)NNC(=O)C2CC2)CC[S@]1=O 736626657 ANRGWCMADOXJJM-BLBZPCKPSA-N 287.385 -0.615 50 20 CBGD COc1ccccc1C(=O)NNC(=O)CNC(=O)O 738116769 XJGMMITVCQAPKJ-UHFFFAOYSA-N 267.241 -0.276 50 20 CBGD CCCNC(=O)NNC(=O)[C@H]1CCc2nnc(C)n2C1 750728838 ZNQJWNUMDUIPKH-VIFPVBQESA-N 280.332 -0.111 50 20 CBGD CCN(CC)S(=O)(=O)CC(=O)NNc1cnccn1 753418054 XZBFUWKBVWOGJM-UHFFFAOYSA-N 287.345 -0.409 50 20 CBGD C#CCCCCNC(=O)NNC(=O)C(=O)N1CCCC1 758889562 UZSSNFCAEUVIDR-UHFFFAOYSA-N 280.328 -0.257 50 20 CBGD CNc1nnc(CC(=O)NNC(=O)c2ccncc2)s1 759369238 IPHCHLMJKWIXKT-UHFFFAOYSA-N 292.324 -0.022 50 20 CBGD COC(=O)CNC(=O)NN=CC1(OC)CCOCC1 761826318 AIUXUCSGZBDNQX-UHFFFAOYSA-N 273.289 -0.360 50 20 CBGD O=C(NNC(=O)C1CC1)C(=O)Nc1cccc2c1OCO2 763557146 CDJCLVHQRAMEIH-UHFFFAOYSA-N 291.263 -0.089 50 20 CBGD O=C(NC[C@@H]1CCCS1(=O)=O)NNC(=O)C1CCC1 765898202 PIJSLJMBNXVMOM-VIFPVBQESA-N 289.357 -0.306 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@]12CCC(=O)N1CCS2 768409048 CULVHCPRZHYUKU-NSHDSACASA-N 286.357 -0.256 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1nonc1N 772053791 YRFPMMVSRHIRHX-LURJTMIESA-N 299.287 -0.609 50 20 CBGD O=C(NNC(=O)C(=O)N1CCCC1)NOC1CCCC1 775486535 MKRDZSFLQNKBRV-UHFFFAOYSA-N 284.316 -0.187 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1cnc2c(c1)COCC2 775719338 OVLCRUOZFSCWNU-UHFFFAOYSA-N 293.327 -0.131 50 20 CBGD Cc1cccnc1C=NNC(=O)[C@H](C)NS(C)(=O)=O 781592370 AKZOIGLTOUOROG-VIFPVBQESA-N 284.341 -0.222 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CO[C@H](C)C1 784144548 JDFSVNZBKIFLLH-SFYZADRCSA-N 257.290 -0.917 50 20 CBGD C[C@@H](C[S@](C)=O)NC(=O)NNc1cccnn1 784535134 GCQNDLBYAHCHLU-SKLCBMLGSA-N 257.319 -0.130 50 20 CBGD CCCNC(=O)NNC(=O)C1(OC)CCOCC1 785966782 MIJNMKPPWOQPEH-UHFFFAOYSA-N 259.306 -0.078 50 20 CBGD CC[C@](C)(OC)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 794890205 MYONKZUPKATVIK-KCJUWKMLSA-N 292.357 -0.616 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCC1(C#N)CC1 797580619 ASHIYLSJNYLBMN-VIFPVBQESA-N 284.316 -0.328 50 20 CBGD CCOCC1(C(=O)NNC(=O)C(=O)NC2CC2)CC1 799528551 AZJLRNFAMUTXLO-UHFFFAOYSA-N 269.301 -0.771 50 20 CBGD CON=CC(=O)NNC(=O)CNC(=O)c1cccs1 809646388 AJUVWYVMZBHFJA-UHFFFAOYSA-N 284.297 -0.743 50 20 CBGD Cc1cc(C)n(CC(=O)NN=Cc2cnn(C)c2N)n1 814752774 CSQFTZZNJYLRSY-UHFFFAOYSA-N 275.316 -0.034 50 20 CBGD Cn1cnn(CCC(=O)NNC(=O)C2CCCC2)c1=O 814991119 SSWOUUYYIYNMTD-UHFFFAOYSA-N 281.316 -0.691 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cc(F)c[nH]2)cn1 815646423 JNMOSCHPQQNDDQ-UHFFFAOYSA-N 251.221 -0.038 50 20 CBGD CCn1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)nn1 820942011 LUPKMTJKZQBXAL-VIFPVBQESA-N 267.289 -0.372 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CCc2ncncc2C1 823893502 LFLVAEDGNBPTPJ-JTQLQIEISA-N 264.329 -0.073 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 823977215 QZOWAMYGIAKRNH-MRVPVSSYSA-N 291.307 -0.130 50 20 CBGD Cc1ccc2ncc(C(=O)NN(C)[C@H](C)CO)c(=O)n2c1 823977262 SCXRVTIAHCDBDB-SNVBAGLBSA-N 290.323 -0.040 50 20 CBGD CSC(C)(C)C(=O)NNC(=O)C(=O)N1CCCC1 824876623 CKBSQKOSVNHABB-UHFFFAOYSA-N 273.358 -0.102 50 20 CBGD C=C[C@@H](O)C(=O)NNc1ncc(C(=O)OCC)c(C)n1 831780440 XEUVEKDOIMHKRF-SECBINFHSA-N 280.284 -0.048 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@@H]1CC[C@H]1C(N)=O 847478178 TXXVQLAXJPWDQV-RKDXNWHRSA-N 291.307 -0.032 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCOCCF 852393480 GCAPFQTZOQGGJB-BDAKNGLRSA-N 277.296 -0.272 50 20 CBGD O=C(CN1CCSC1=O)NNC(=O)c1cc[nH]n1 855361325 AODUASFUSSGSSY-UHFFFAOYSA-N 269.286 -0.661 50 20 CBGD CCCN(CC)CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858286674 FXFKJCQPIVSRPI-SNVBAGLBSA-N 299.375 -0.673 50 20 CBGD CO[C@@](C)(CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 858477462 IPNVXUZRGMRKAY-ZANVPECISA-N 298.343 -0.590 50 20 CBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNC(=O)NC2CCCC2)O1 858853646 RWJRJAGTUGYEGW-DTWKUNHWSA-N 284.316 -0.708 50 20 CBGD CN(NC(=O)c1ccc2c(c1)N(C)C(=O)CO2)C(N)=O 860516632 HSZFWYRWGATNKG-UHFFFAOYSA-N 278.268 -0.303 50 20 CBGD CC(C)Cn1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 862461436 PCLRBWNRDLWGOE-JTQLQIEISA-N 293.327 -0.421 50 20 CBGD Cc1cc(=NNC(=O)C(=O)NCC(F)F)cc[nH]1 862514652 SBIWWDMCFGLKRP-UHFFFAOYSA-N 258.228 -0.364 50 20 CBGD O=C(N[C@@H]1CCN(CC2CC2)C1)c1cccc(B(O)O)c1 865605759 ZAQKPSLEGSVZRQ-CQSZACIVSA-N 288.156 -0.420 50 20 CBGD COCCOCC(=O)NNC(=O)c1cc(O)cs1 869904690 FMAOLWSDYPUKGH-UHFFFAOYSA-N 274.298 -0.122 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H](C)Cn1ccc(C)n1 869916327 WZLAHHKBRBNJEU-JTQLQIEISA-N 298.343 -0.362 50 20 CBGD CC[C@H](CN1CCOCC1)NCc1ccc(B(O)O)cc1 896620212 YTASPHPHDOGAPW-OAHLLOKOSA-N 292.188 -0.433 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccc(S(C)(=O)=O)o1 910168330 SHXMJZLYLBQOIW-ZETCQYMHSA-N 276.314 -0.360 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@]12CCC(=O)N1CCS2 910175819 VCQMONBMOQXIKQ-KCJUWKMLSA-N 273.358 -0.604 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@@H]1C(=O)NCC1(C)C 931658829 PIOIXNLCZSJKDL-VXNVDRBHSA-N 270.333 -0.954 50 20 CBGD Cn1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)n1 1116468127 CCWGOLXBBFHVJT-UHFFFAOYSA-N 267.289 -0.448 50 20 CBGD O=C(NNC(=O)C1=CCOCC1)C(=O)N1CCCC1 1116879003 LGBSKIRFSCJXQO-UHFFFAOYSA-N 267.285 -0.897 50 20 CBGD COc1ccc(NC(=O)C(=O)NNC(C)=O)c(Cl)n1 1254888736 NCKSWDJPDYFYMP-UHFFFAOYSA-N 286.675 -0.151 50 20 CBGD Cn1cnc(CNC(=O)NNC(=O)c2ccccc2)n1 1319688959 NVVOSWIDWPNYHD-UHFFFAOYSA-N 274.284 -0.041 50 20 CBGD O=C(CC1CCCC1)NNC(=O)CN1C(=O)CNC1=O 1321140019 OVHULOFRUVJNES-UHFFFAOYSA-N 282.300 -0.734 50 20 CBGD Cn1ccnc(NNC(=O)C(=O)Nc2ccccc2)c1=O 1321678013 RVBJEOHWDIBFTL-UHFFFAOYSA-N 287.279 -0.138 50 20 CBGD COc1ccc(C(=O)NNC(=O)c2nc[nH]n2)cc1 1323610357 KORNHBOFDJQFIM-UHFFFAOYSA-N 261.241 -0.112 50 20 CBGD Cn1nncc1NNC(=O)C[C@H]1CCCC(=O)N1 1328569698 DOSFDTHZAIVOKD-SSDOTTSWSA-N 252.278 -0.683 50 20 CBGD Cc1c[nH]cc1C(=O)NNC(=O)CS(C)(=O)=O 1329208337 QGEILMGSFXPUBU-UHFFFAOYSA-N 259.287 -0.871 50 20 CBGD NC(=O)Nc1cccc(C(=O)N2CC[C@@H](B(O)O)C2)c1 1329215974 SLMDYFNRBPJKNK-SECBINFHSA-N 277.089 -0.134 50 20 CBGD NNC(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1 1329568183 FRNSWUSIORTIII-UHFFFAOYSA-N 261.241 -0.565 50 20 CBGD C[C@H](C(=O)NNC(=O)Cc1ccncc1)S(C)(=O)=O 1330677118 CTFMWAPOZIVFAF-MRVPVSSYSA-N 285.325 -0.795 50 20 CBGD C[C@@H](CO)N(C)NC(=O)C1(O)Cc2ccccc2C1 1332364913 DNDMJKVBRRXDPG-JTQLQIEISA-N 264.325 -0.140 50 20 CBGD O=C(NNC(=O)N1CC[C@@H]2OCC[C@@H]2C1)c1cccnn1 1333162556 GDQNBRRVBUPIPF-KOLCDFICSA-N 291.311 -0.058 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cn(Cc2ccccn2)nn1 1334203072 POGNAWBINOGROU-SNVBAGLBSA-N 290.327 -0.321 50 20 CBGD O=C(CNC(=O)C1CC1)NNC(=S)Nc1ccccn1 1336041212 LYPZQZZQDFOBAB-UHFFFAOYSA-N 293.352 -0.075 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1nc2c(s1)CCC2 1339474126 DKHOOIHUEKOUOJ-UHFFFAOYSA-N 284.297 -0.043 50 20 CBGD COc1cc(CCC(=O)NNC(=O)C(=O)NC(C)C)on1 1347297159 KHFBXHKMZXLEJF-UHFFFAOYSA-N 298.299 -0.712 50 20 CBGD O=C(NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)NC1CC1 1353548532 AJPGGEJTSWCSLN-UJNFCWOMSA-N 269.301 -0.469 50 20 CBGD CCC(C)(C)[C@@H](O)C(=O)NNC(=O)C1CCNCC1 1576941736 IPYZBMLCDNGQTA-JTQLQIEISA-N 271.361 -0.070 50 20 CBGD N[C@H]1C[C@@H](CNC(=O)NNC(=O)c2ncccn2)C1 1580418523 WBGAPELMOISMSS-OCAPTIKFSA-N 264.289 -0.842 50 20 CBGD CCNC(=O)NNC(=O)c1cc(-c2nn[nH]n2)oc1C 1590744044 FSTUTGPHIUIQLD-UHFFFAOYSA-N 279.260 -0.268 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@]1(C(=O)O)CCCO1 1594675978 QTBHYCPQPRROTF-QMMMGPOBSA-N 284.190 -0.280 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CC(=O)O)C1 1594712564 RRHLNCUMSBUKLZ-OPRDCNLKSA-N 285.344 -0.025 50 20 CBGD O=C(NNC(=O)[C@@H]1CC[C@H]1C(=O)O)c1ccnnc1 1594783011 RHPPGLMOLGDZLV-HTQZYQBOSA-N 264.241 -0.652 50 20 CBGD CC1(C)C[C@H](NC(=O)NNC(=O)C(=O)O)CCO1 1609816178 DAVRQSSJUWHMPX-ZCFIWIBFSA-N 259.262 -0.641 50 20 CBGD O=C(NCCN1Cc2ccccc2C1)NNC(=O)C(=O)O 1610693183 RFAZKEPPPOCPLY-UHFFFAOYSA-N 292.295 -0.583 50 20 CBGD O=C(O)CCC(=O)NNC(=O)NCc1ccco1 1611416519 KARLUBRPUBNHFD-UHFFFAOYSA-N 255.230 -0.025 50 20 CBGD O=C(COC[C@@H]1CCCO1)NNC(=O)c1ccc[nH]1 126307685 MHSLWWBXYJBXJA-VIFPVBQESA-N 267.285 -0.029 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)c2ccc[nH]2)C1 188180191 SLXUIJBZMPBXRR-UHFFFAOYSA-N 250.258 -0.746 50 20 CBGD Cc1cc(NNC(=O)CN2CCCS2(=O)=O)nc(C)n1 265550062 PSTIQZHTIPDDSC-UHFFFAOYSA-N 299.356 -0.428 50 20 CBGD CC(=O)NNC(=O)C(=O)N1CCc2cc(F)ccc21 283360046 SUOXMVMCIYZXPR-UHFFFAOYSA-N 265.244 -0.118 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNc1ncccn1 372843450 VSGDTAGLFIHFEI-VIFPVBQESA-N 251.290 -0.360 50 20 CBGD COC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584951422 QHDLYQIRTYKFPS-JTQLQIEISA-N 263.102 -0.525 50 20 CBGD Cc1cc(C[C@H](C)NC(=O)c2ccc(B(O)O)cc2)n[nH]1 584965275 OZCUTXXWVZKMGH-VIFPVBQESA-N 287.128 -0.241 50 20 CBGD C[C@H](O)[C@H]1CCCCN1C(=O)c1cc(B(O)O)ccc1F 584971023 JKBRKUCMKMOQGN-TVQRCGJNSA-N 295.119 -0.119 50 20 CBGD CC[C@H](CO)N(C)C(=O)c1ccc(B(O)O)c(F)c1 584994805 OBWJXUQJGRWSRB-SECBINFHSA-N 269.081 -0.652 50 20 CBGD CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(B(O)O)cc2)C1 585001563 XIEQBIAKJKUTSU-CQSZACIVSA-N 290.172 -0.079 50 20 CBGD C[C@H](CN1CCCC1=O)NCc1ccc(B(O)O)cc1F 585018767 RRICGAJYXNGGKO-SNVBAGLBSA-N 294.135 -0.394 50 20 CBGD OB(O)c1ccc(CNCC2(O)CCCCC2)o1 585020160 ONYJZPMATBVSQY-UHFFFAOYSA-N 253.107 -0.256 50 20 CBGD CNC(=O)[C@@H]1CCC[C@@H]1NCc1cccc(B(O)O)c1 585031411 FMLAUOMLKOKAGV-OLZOCXBDSA-N 276.145 -0.629 50 20 CBGD C[C@H]1NC(=O)CC[C@@H]1NCc1ccc(B(O)O)cc1F 585042401 PYDKQBQNSCFWOT-PELKAZGASA-N 280.108 -0.738 50 20 CBGD C[C@@]1(CNCc2cccc(B(O)O)c2)CCC(=O)N1 585044401 HVWBYPPYBOMXNO-ZDUSSCGKSA-N 262.118 -0.875 50 20 CBGD C[C@H](C(=O)NNC(=O)C(C)(C)C)N1CCN(C)CC1 725886358 LKSRPDSMVHTCLP-SNVBAGLBSA-N 270.377 -0.184 50 20 CBGD NS(=O)(=O)c1cnn(CC(=O)NNc2ccccc2)c1 732265539 NXCKCJPDXJZFLG-UHFFFAOYSA-N 295.324 -0.326 50 20 CBGD Cc1cc(NNC(=O)[C@@H](C)S(C)(=O)=O)nc(C)n1 736716514 HXMUMKNSFGAVKZ-SSDOTTSWSA-N 272.330 -0.030 50 20 CBGD CC1(C)C(=O)Nc2ccc(C(=O)NNC(=O)CO)cc21 753439063 MTRQWGMGRMINGK-UHFFFAOYSA-N 277.280 -0.330 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=O)COCc1ccccc1 755005469 JCHHSYGRZJNPCQ-AWEZNQCLSA-N 296.323 -0.252 50 20 CBGD O=C(C[C@H]1CCCCO1)NNC(=O)C(=O)NC1CC1 755065615 TWESPZFMTPRQJP-SECBINFHSA-N 269.301 -0.628 50 20 CBGD COC(=O)c1csc(NC(=O)C(=O)NNC(C)=O)c1C 763515152 IBJQFIKTZFUBDV-UHFFFAOYSA-N 299.308 -0.051 50 20 CBGD O=C(CN1CCC(O)(C(F)F)CC1)NNC(=O)C1CC1 778311341 ODEMMXYXPDKRSJ-UHFFFAOYSA-N 291.298 -0.364 50 20 CBGD COCC1(C(=O)NNC(=O)C(=O)N2CCCC2)CC1 778674152 KFQJXKXYLRPUPY-UHFFFAOYSA-N 269.301 -0.817 50 20 CBGD CO[C@H](C)CCC(=O)NNC(=O)N1CCOCC1 782611520 BSSMBCPBCIRNGU-SECBINFHSA-N 259.306 -0.126 50 20 CBGD O=C(CO)NNC(=O)Cc1cccc(N2CCCC2=O)c1 787912619 QKFJMEMHDDTUQC-UHFFFAOYSA-N 291.307 -0.504 50 20 CBGD O=C(Cn1cccnc1=O)NNc1nc2ccccn2n1 791252690 HUAXZKGURUYFJE-UHFFFAOYSA-N 285.267 -0.571 50 20 CBGD CN1CC[C@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)C1 792849545 JNUNPWQADGXTEJ-WDEREUQCSA-N 289.401 -0.570 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1C[C@@H]2[C@@H](CO)[C@@H]2C1 794871170 QARJYFAJAKAFDS-MYJAWHEDSA-N 269.345 -0.650 50 20 CBGD CN(NC(=O)c1ccc(C(N)=S)cc1)C(N)=O 798336525 AZXPCCSTGCFWBE-UHFFFAOYSA-N 252.299 -0.024 50 20 CBGD C[C@@H](NC(=O)CCc1ccccc1)C(=O)NNC(=O)CO 799843736 IKGNUTFSPIQPDQ-SNVBAGLBSA-N 293.323 -0.736 50 20 CBGD Cc1ccc(NCC(=O)NNC(=O)c2cnn(C)n2)cc1 806365450 PENVIEKIKLFUGY-UHFFFAOYSA-N 288.311 -0.003 50 20 CBGD CC[C@H](C(=O)NNC(=O)N1CCN(C)CC1)N(C)C 807378667 IKHQKAPECYVGLI-SNVBAGLBSA-N 271.365 -0.685 50 20 CBGD CN(C)CCN1C(=O)C(=NNC(=O)CO)c2ccccc21 807980811 YFNCUGVSPMVGGS-UHFFFAOYSA-N 290.323 -0.593 50 20 CBGD Cn1cc(C=NNC(=O)C(=O)N2CCCC2)c(O)n1 814218160 AQSVXJFVLQBTFG-UHFFFAOYSA-N 265.273 -0.802 50 20 CBGD CCn1cc(CNC(=O)NNc2ncccn2)nn1 821730680 AADWZCHZRQSMLR-UHFFFAOYSA-N 262.277 -0.086 50 20 CBGD CCN(CCO)NC(=O)c1c(C)nn(C)c1OC 823860212 OHTMJAMXNGMCDG-UHFFFAOYSA-N 256.306 -0.304 50 20 CBGD CCN(CCO)NC(=O)CCC(=O)N(CC)CC 823865641 WDFUOCUCMYCEDT-UHFFFAOYSA-N 259.350 -0.020 50 20 CBGD CN(CC(=O)NNC(=O)CS(C)(=O)=O)CC(C)(C)C 825028954 SCOHYTSUTBKWJB-UHFFFAOYSA-N 293.389 -0.844 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cnn(C)c1 826846304 NLJIIVUIUBEZIW-VXNVDRBHSA-N 267.289 -0.002 50 20 CBGD Cc1cc(NNC(=O)CN2CCN(C)CC2)nc(N)n1 828372587 ZZEFJTCJDZWYNB-UHFFFAOYSA-N 279.348 -0.942 50 20 CBGD COc1ccccc1OCC(=O)NNC(=O)[C@@H](O)C1CC1 854190537 AICVPSVHCGATIA-ZDUSSCGKSA-N 294.307 -0.008 50 20 CBGD CON(C)C(=O)CNC(=O)NNc1ncc(Cl)cn1 856919286 XKXHUBFFPQPBNM-UHFFFAOYSA-N 288.695 -0.224 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CSCCC(N)=O 863383677 WDSVYIVFHWFOHK-UHFFFAOYSA-N 261.347 -0.212 50 20 CBGD COC(=O)[C@@H]1CCCN1C(=O)c1cccc(B(O)O)c1 863868586 BFRNMZWSYNBLFS-NSHDSACASA-N 277.085 -0.856 50 20 CBGD CC1(C)COC(=O)[C@H]1NC(=O)c1cccc(B(O)O)c1 863882458 HTCPDZMEILCTFT-SNVBAGLBSA-N 277.085 -0.952 50 20 CBGD CNc1ncc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 863935972 YZIXSRCWAJJZSK-RXMQYKEDSA-N 283.313 -0.776 50 20 CBGD O=C(N[C@H]1CCN2CCC[C@H]2C1)c1cccc(B(O)O)c1 864906622 QRMHSOWKXZVGNG-KBPBESRZSA-N 288.156 -0.277 50 20 CBGD CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)Cc1cc(C)[nH]n1 869012219 KGBKDBOWEHZATG-VHSXEESVSA-N 266.301 -0.167 50 20 CBGD CSCCNC(=S)NNC(=O)CCC(N)=O 907196995 SSTQOWGNUYRXON-UHFFFAOYSA-N 264.376 -0.890 50 20 CBGD C[C@H](O)CN(C)NC(=O)COCc1cccnc1 910158112 VBLPYJLHUIATFN-JTQLQIEISA-N 253.302 -0.058 50 20 CBGD CN(CCO)c1ccc(C=NNC(=O)CCO)cc1 1116204843 HKHGWUHEIDRDPK-UHFFFAOYSA-N 265.313 -0.052 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCC2CCOCC2)cn1 1116228984 CHRVHFDAAGCWOT-UHFFFAOYSA-N 281.316 -0.209 50 20 CBGD CCO/C=C(\C#N)C(=O)NC[C@@H]1CN(C)CCN1C 1116337967 WHRWSEWRMBPLFG-HCRIHEDKSA-N 266.345 -0.208 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H]1CCc2nncn2C1 1119905676 GCPOWKOFNVVPFB-SNVBAGLBSA-N 275.312 -0.209 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1C=CCCC1 1319593749 GYTJUGGBRQZVFP-MRVPVSSYSA-N 266.301 -0.296 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNc2ccc(C(N)=O)nn2)CCO1 1320082051 ZKQZAELIDFMNKO-HTQZYQBOSA-N 279.300 -0.166 50 20 CBGD CC(=O)NCc1ccc(NC(=O)NNC(=O)CCO)cc1 1320401386 XYUUZULZYDBPDY-UHFFFAOYSA-N 294.311 -0.142 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=S)NCC(F)(F)F 1322266122 VKFIEURBCWVIIG-UHFFFAOYSA-N 286.279 -0.431 50 20 CBGD CC(C)Cn1nccc1C(=O)NNC(=O)C(=O)NC1CC1 1326357786 CRQCJHQDHXHBSC-UHFFFAOYSA-N 293.327 -0.421 50 20 CBGD CN1CCC(C(=O)NNC(=O)c2cnn(C)c2)CC1 1333995065 ORGISTGTOKSOOZ-UHFFFAOYSA-N 265.317 -0.477 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc2nccnc2c1 1337961039 MUFIHGHJGLXXKC-UHFFFAOYSA-N 273.252 -0.264 50 20 CBGD Cn1nncc1C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1 1549320459 ZZNCQLOKCKQCPS-GXSJLCMTSA-N 278.316 -0.872 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccc(-c2nn[nH]n2)nc1 1590000281 KAKBEVQGVQYLKS-ZETCQYMHSA-N 277.288 -0.781 50 20 CBGD OB(O)[C@@H]1CCN(Cc2cc(-c3nn[nH]n3)cs2)C1 1593497876 GBKUMXHFOXZFQJ-MRVPVSSYSA-N 279.134 -0.023 50 20 CBGD CCC[C@@H](CNC(=O)NNC(=O)C(=O)O)OCC 1605214075 GCJIVGYRZPGYOR-ZETCQYMHSA-N 261.278 -0.393 50 20 CBGD Cc1c(NC(=O)NNC(=O)CO)ccc(F)c1C(=O)O 1607546463 LHWWGRKPOWGDSE-UHFFFAOYSA-N 285.231 -0.023 50 20 CBGD Cc1ccc(CCNC(=O)NNC(=O)C(=O)O)cc1 1610499516 XHUKSDZZTAXSCS-UHFFFAOYSA-N 265.269 -0.047 50 20 CBGD O=C(O)CCN1CCC(=NNC(=O)CCO)CC1 1610773692 QEGGZGZEJVWKLG-UHFFFAOYSA-N 257.290 -0.589 50 20 CBGD COc1ccc(C)c(C=NNC(=O)C(N)=O)c1C(=O)O 1776016115 WRXOBTXYZIKRRP-UHFFFAOYSA-N 279.252 -0.363 50 20 CBGD Cn1ccc(C(=O)NNC(=O)NCC2CC2)cc1=O 49166566 KBLSJWZARFQJNA-UHFFFAOYSA-N 264.285 -0.261 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnn(C(C)(C)C)c1 75653970 DULDNJAWNDGPHZ-UHFFFAOYSA-N 267.333 -0.039 50 20 CBGD COc1ccc(C(=O)NNC(=O)c2cn[nH]n2)cc1 80201019 DKAWCLHAWPWJFC-UHFFFAOYSA-N 261.241 -0.112 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1ccc(C(N)=O)nc1 122393580 KKHGFUSVVWUCJV-UHFFFAOYSA-N 287.279 -0.406 50 20 CBGD CN(C)c1cc(C(=O)NNC(=O)Cc2ccn[nH]2)ccn1 173267367 UMVVADITUGBMKM-UHFFFAOYSA-N 288.311 -0.126 50 20 CBGD CCNC(=O)N(C)NC(=O)Cn1ccc(C)cc1=O 278887425 ZBICFTSJNUGIIA-UHFFFAOYSA-N 266.301 -0.151 50 20 CBGD CC(=O)NCCN(C)C(=O)/C(C#N)=C/c1cnn(C)c1 491045987 GGFWDLLHXRUCNA-WUXMJOGZSA-N 275.312 -0.078 50 20 CBGD O=C(NCCCCCO)c1cccc(B(O)O)c1 584982270 GGDUPQHYLUBFGO-UHFFFAOYSA-N 251.091 -0.741 50 20 CBGD CC(C)COC[C@H](O)CNCc1ccc(B(O)O)cc1F 585017782 ABRWNVSGNFVBEF-CYBMUJFWSA-N 299.151 -0.371 50 20 CBGD OC[C@@H](CC(F)F)NCc1ccccc1B(O)O 585038159 UWXSAJRZJGHMBO-SECBINFHSA-N 259.061 -0.528 50 20 CBGD OC[C@@H](CNCc1ccc(B(O)O)o1)CC1CCC1 585038915 KKRIZCTYAGSDHW-LLVKDONJSA-N 267.134 -0.152 50 20 CBGD OB(O)c1cccc(-c2noc(CN3CCOCC3)n2)c1 585054065 RODMHNAWKXSUGQ-UHFFFAOYSA-N 289.100 -0.751 50 20 CBGD O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@H](B(O)O)C1 585063968 APQCBZGJDDZGDO-MRVPVSSYSA-N 280.045 -0.011 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCn2cccc21 728434527 MGVHVDZTCKXQMP-QMMMGPOBSA-N 284.341 -0.350 50 20 CBGD CCCNC(=O)NNC(=O)c1c(OC)ncnc1OC 732062769 NHUTZOBNJNHNHG-UHFFFAOYSA-N 283.288 -0.152 50 20 CBGD CN(CC(=O)NNC(=O)CC(F)(F)F)C(=O)C1CC1 733359789 FOCYFWHSZNGDDO-UHFFFAOYSA-N 281.234 -0.045 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)C[C@@H](C)C(=O)OC 733870278 PXXSDTJJWJRLTD-BDAKNGLRSA-N 273.333 -0.327 50 20 CBGD Cn1c(C(=O)NNC(=O)N2CCOCC2)ccc1[N+](=O)[O-] 745992184 WALJLONVDXAGTR-UHFFFAOYSA-N 297.271 -0.380 50 20 CBGD COCCOCCS(=O)(=O)NNC(=O)C(C)(C)C 754749019 VNNYDLXTUSLRDY-UHFFFAOYSA-N 282.362 -0.354 50 20 CBGD C#CCNC(=S)NNC(=O)[C@@H]1COc2ccccc2O1 758171010 GNRULZARYJXKJA-NSHDSACASA-N 291.332 -0.045 50 20 CBGD COC(=O)C1(C(=O)NNC(=O)NCC2CC2)CC1 767325160 WGMSAXFSTGFXEC-UHFFFAOYSA-N 255.274 -0.320 50 20 CBGD CC(=NNC(=O)C(=O)NC1CC1)c1cc(C)nn1C 788979987 BZODGBOCVOVAPY-UHFFFAOYSA-N 263.301 -0.153 50 20 CBGD COCCONC(=O)NNC(=O)CC(F)(F)F 789353087 RZFSQGVSAOSUSW-UHFFFAOYSA-N 259.184 -0.153 50 20 CBGD CCOCC(=O)NNC(=O)NCC1([S@@](C)=O)CC1 799714153 IPFDRMJKPLBFIL-GOSISDBHSA-N 277.346 -0.736 50 20 CBGD CC(=NNC(=O)C(=O)N1CCCC1)c1cnnn1C 814824227 NRBBQZYBLLLMJX-UHFFFAOYSA-N 264.289 -0.722 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)CC2CC2)C1 819110075 RWTBJKWOQPVWGU-JTQLQIEISA-N 255.318 -0.345 50 20 CBGD CC[C@H](C(=O)NN(CC)CCO)N1CCCC1=O 823860312 PVNXVSRLXULSPF-SNVBAGLBSA-N 257.334 -0.267 50 20 CBGD COc1cnc(C(=O)NNC(=O)[C@H]2CCCCO2)nc1 833235602 HIHREHAVZOEDEZ-SECBINFHSA-N 280.284 -0.185 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)C(N)=O 843970681 JLRPEHNDAJPUTC-NKWVEPMBSA-N 257.290 -0.930 50 20 CBGD COC(=O)N(C)CCNC(=O)NNC(=O)c1cnn(C)c1 852661587 WVMQLGIFUVHIJA-UHFFFAOYSA-N 298.303 -0.938 50 20 CBGD Cn1nc(C2CC2)nc1C(=O)NNC(=O)CCCCCN 857766362 LNXHXAHBQYQSEJ-UHFFFAOYSA-N 294.359 -0.027 50 20 CBGD CSC[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858233836 VSNCBXZGKRJGCN-RQJHMYQMSA-N 274.346 -0.653 50 20 CBGD C[C@@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(F)(F)F 862455282 DYBNFMBWQOYRHO-WHFBIAKZSA-N 267.207 -0.389 50 20 CBGD CC(C)(C)S(=O)(=O)CC(=O)NNC(=O)c1cn[nH]c1 862470576 HZNAKPMJGCWELD-UHFFFAOYSA-N 288.329 -0.616 50 20 CBGD CSCCCNC(=S)NNC(=O)[C@H]1CCC(=O)N1 863204459 ZFHILVLFXQGAQO-SSDOTTSWSA-N 290.414 -0.487 50 20 CBGD Cc1ccccc1S(=O)(=O)NNC(=O)[C@@H]1CCC(=O)N1 863414339 ZODBDBIRDXRYPR-VIFPVBQESA-N 297.336 -0.417 50 20 CBGD O=C(NNS(=O)(=O)N1C[C@H]2CC[C@H]1C2)c1cn[nH]c1 863414449 WSVGOAHUGPHAAM-CBAPKCEASA-N 285.329 -0.627 50 20 CBGD O=C(NCCOC(=O)C1CC1)c1ccc(B(O)O)cc1 863881324 QNAGRPWNJLBYDQ-UHFFFAOYSA-N 277.085 -0.951 50 20 CBGD N#Cc1c(F)cccc1S(=O)(=O)N1CC[C@H](B(O)O)C1 864230988 IEOQTGNYLRRIKO-QMMMGPOBSA-N 298.104 -0.065 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@@H]2C=CCC2)N1 883738243 UJEIRACEJGZJLV-BDAKNGLRSA-N 266.301 -0.438 50 20 CBGD Cc1nnc(NNC(=O)COCC2CC2)nc1O 915641381 TYXDSHAXGRXNBR-UHFFFAOYSA-N 253.262 -0.245 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccc(F)cc1 919676351 NFLSKCCRAIMMRE-UHFFFAOYSA-N 274.273 -0.369 50 20 CBGD CC(=O)NNC(=O)Cc1cnn(-c2ccccc2)n1 920430259 QBTVDOSQICVKMS-UHFFFAOYSA-N 259.269 -0.023 50 20 CBGD CCNC(=O)NNC(=O)Cn1cc(Br)cn1 920858150 ZDXHEBBIOGGSGO-UHFFFAOYSA-N 290.121 -0.004 50 20 CBGD O=C(CCn1cc([N+](=O)[O-])cn1)NNC(=O)NCC1CC1 920858854 JNZXFIFPHRNDIW-UHFFFAOYSA-N 296.287 -0.078 50 20 CBGD C[C@@H]1NC(=O)[C@@H](C)N(CC(=O)NNC(=O)C(C)(C)C)[C@H]1C 930839093 UXWZVOMSSZBLRP-LPEHRKFASA-N 298.387 -0.223 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC1(OC)CCC1 1118002070 VDKOZRSNGCWGOA-UHFFFAOYSA-N 259.262 -0.941 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(S(C)(=O)=O)CC1 1118218080 HCVXBBYILWBVBH-HTQZYQBOSA-N 290.341 -0.864 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@@H]1CCCN(C(N)=O)C1 1251342103 IVKVRSFQDJSXFJ-MRVPVSSYSA-N 271.321 -0.484 50 20 CBGD Cn1cnc(C(=O)NNc2cc(Cl)nc(N)n2)n1 1261204860 HNRHKEDZEWCTJQ-UHFFFAOYSA-N 268.668 -0.402 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccccc1-n1cccn1 1320510927 VDLLYYGSOWZZQR-UHFFFAOYSA-N 287.279 -0.022 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1cn(C)cn1 1326487669 WKJBWIAZGSFPAZ-HTQZYQBOSA-N 288.329 -0.845 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCC2(CC1)CNC(=O)O2 1333348148 FPSRFUUHFLNIQQ-UHFFFAOYSA-N 298.343 -0.636 50 20 CBGD CC(C)C(=O)NNC(=O)Cn1cc(CCN(C)C)nn1 1333536942 LWVPNEUYMWLDKC-UHFFFAOYSA-N 282.348 -0.814 50 20 CBGD CN(NC(=O)CC(C)(C)C#N)C(=O)N1CCNCC1 1578506561 RROAYLZHRZLJKF-UHFFFAOYSA-N 267.333 -0.086 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCNC1)c1n[nH]cc1F 1580733211 PRFIEIJVOVUOEG-ZCFIWIBFSA-N 255.253 -0.691 50 20 CBGD CC(=O)c1cccc(CNC(=O)NNC(=O)C(=O)O)c1 1589308956 BVLDOBMBFSBKKJ-UHFFFAOYSA-N 279.252 -0.196 50 20 CBGD CCN(CCO)NC(=O)c1cc(-c2nn[nH]n2)ccn1 1590714366 GGQUCJZNPNIEMO-UHFFFAOYSA-N 277.288 -0.779 50 20 CBGD COCCN(C)NC(=O)Nc1ccnc(-c2nn[nH]n2)c1 1591420529 LAPKHCRGHVCEMX-UHFFFAOYSA-N 292.303 -0.124 50 20 CBGD C[C@H](CNC(=O)NNC(=O)C(=O)O)CC(F)(F)F 1592676764 XVZXDTXNESIPJA-BYPYZUCNSA-N 271.195 -0.010 50 20 CBGD O=C(CCO)NN=Cc1ccc(-c2nn[nH]n2)cc1F 1592844758 HZBZWQYNWXNTSF-UHFFFAOYSA-N 278.247 -0.162 50 20 CBGD O=C(Cc1nc[nH]n1)NNc1ccc(-c2nn[nH]n2)cn1 1592933792 HCKPLGCMAJTTAS-UHFFFAOYSA-N 286.259 -0.934 50 20 CBGD CN(C)N(C(=O)CCC(=O)O)[C@@H]1CCS(=O)(=O)C1 1593703550 DBRNGAMWZWGVIL-MRVPVSSYSA-N 278.330 -0.657 50 20 CBGD O=C(O)COCC(=O)NNC(=O)CCOc1ccccc1 1595107303 RMESCCFCOGISQU-UHFFFAOYSA-N 296.279 -0.296 50 20 CBGD COCCN(C)NC(=O)Nc1cc(C(=O)O)n(C)n1 1599232186 NHFPHQNQEBBAJX-UHFFFAOYSA-N 271.277 -0.267 50 20 CBGD COc1cc(CNC(=O)NNC(=O)C(=O)O)ccc1O 1599410997 JGTDJUUZHUACAJ-UHFFFAOYSA-N 283.240 -0.684 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCC[C@H]2OCC[C@@H]12 1601553082 SUWCXKMPIDKAGX-XLPZGREQSA-N 271.273 -0.641 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C(=O)O)c(C)c1 1610506015 ISAYZIXBEZLAED-UHFFFAOYSA-N 279.252 -0.526 50 20 CBGD N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H](CO)C(=O)O 1610619398 VVIBXUKAFPEEHT-FZPLPXEFSA-N 276.248 -0.139 50 20 CBGD C#CCOCCC(=O)NNC(=O)Cc1cccnc1 130885857 FYJNCHBUACCDNX-UHFFFAOYSA-N 261.281 -0.189 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NCC(=O)NCC(F)F 280648918 YYYRGBBPWOMLTD-UHFFFAOYSA-N 280.275 -0.256 50 20 CBGD COC[C@@](C)(O)CNS(=O)(=O)CBr 308481017 NFMFMRBTVLSUQZ-LURJTMIESA-N 276.152 -0.344 50 20 CBGD CO[C@@H]1COC[C@H]1NC(=O)/C(C#N)=C/c1cnn(C)c1 491134240 RFHDBCOJGBQYPE-IPANGIIDSA-N 276.296 -0.143 50 20 CBGD COC(=O)NCCC(=O)NNc1nccnc1OC 495442153 BRMVHJPFLZWTLE-UHFFFAOYSA-N 269.261 -0.326 50 20 CBGD NC(=S)NNC(=O)[C@@H]1CCCN(C(=O)C(F)(F)F)C1 498050584 OPRISKUUDKUHJV-RXMQYKEDSA-N 298.290 -0.348 50 20 CBGD CN(C)CCN(C)C(=O)c1ccc(B(O)O)cc1 584953640 AVZTZJJYSYSPOO-UHFFFAOYSA-N 250.107 -1.000 50 20 CBGD O=C(NC1(c2nc[nH]n2)CCC1)c1ccc(B(O)O)cc1 584980059 OXPZJFRWRSCPED-UHFFFAOYSA-N 286.100 -0.706 50 20 CBGD CN(C(=O)c1ccc(B(O)O)cc1)[C@@H]1CCC[C@H]1O 584988082 CRAUDMDTFYHMNP-VXGBXAGGSA-N 263.102 -0.648 50 20 CBGD CC(C)[C@@](C)(NC(=O)c1cc(B(O)O)ccc1F)C(N)=O 584988767 UBLMQQGVJUXCDO-CYBMUJFWSA-N 296.107 -0.865 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@H](F)C1 585004960 SRWWLPVBHHXRJT-NSHDSACASA-N 251.066 -0.060 50 20 CBGD CC[C@](C)(CNCc1ccc(B(O)O)o1)[C@H](C)O 585031221 ATQQGBHXLGXJBX-JOYOIKCWSA-N 255.123 -0.154 50 20 CBGD C[C@@H]1CCN(CCNCc2cccc(B(O)O)c2)C1 585033905 KDGKQUIFJKUPIN-GFCCVEGCSA-N 262.162 -0.202 50 20 CBGD Cn1ccc(CCNCc2ccc(B(O)O)cc2)n1 585035619 WRLZDKQFTDUUFO-UHFFFAOYSA-N 259.118 -0.568 50 20 CBGD O=C1CC[C@@H](NCc2ccc(B(O)O)cc2)[C@@H](C2CC2)N1 585040803 AXGHKRLGYTVVRB-UKRRQHHQSA-N 288.156 -0.487 50 20 CBGD O=C1CC[C@@H](NCc2ccccc2B(O)O)[C@@H](C2CC2)N1 585041431 CQMDHAGAUSOPRB-UKRRQHHQSA-N 288.156 -0.487 50 20 CBGD OCCCN1CCC[C@H]1CNCc1cccc(B(O)O)c1 585043245 JTUATPBDQJQELX-HNNXBMFYSA-N 292.188 -0.697 50 20 CBGD O=S1(=O)CCC[C@@H]1CNCc1ccc(B(O)O)cc1 585044542 MIAAJKUPTCRHIB-GFCCVEGCSA-N 283.158 -0.967 50 20 CBGD O=S(=O)(CC1CC(F)(F)C1)N1CC[C@H](B(O)O)C1 585056855 YCOPYIKJFVDMBP-QMMMGPOBSA-N 283.105 -0.090 50 20 CBGD Cn1c(S(=O)(=O)NCB(O)O)cc2ccccc21 585057027 ILOHGRDVUWUBRM-UHFFFAOYSA-N 268.103 -0.531 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)CN1CCCCC1=O 728851556 KNHQXPZSECBVSP-UHFFFAOYSA-N 290.323 -0.216 50 20 CBGD O=C(COCC(F)(F)F)NNC(=O)Cc1cc[nH]n1 730090614 LJIJIXMODVNZRV-UHFFFAOYSA-N 280.206 -0.322 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)N2CCOCC2)CCC1 751770046 AJLITQCMZXLCCS-UHFFFAOYSA-N 299.327 -0.207 50 20 CBGD O=C(CNC(=O)c1cccs1)NNC(=O)C(F)F 753971247 NODKVOWDHPGVNP-UHFFFAOYSA-N 277.252 -0.110 50 20 CBGD CC[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)N1CCCC1=O 755278768 DERRCNUFDADXFP-SNVBAGLBSA-N 293.327 -0.499 50 20 CBGD CC(=O)NNC(=O)Nc1ccn(CCN2CCOCC2)n1 765189851 WMJRASDEPSJRCD-UHFFFAOYSA-N 296.331 -0.612 50 20 CBGD Cn1ncc([N+](=O)[O-])c1C(=O)NNC(=O)NCC1CC1 766824264 JIIGDEWVMPIELL-UHFFFAOYSA-N 282.260 -0.318 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)c2cc(C)[nH]n2)on1 781431807 UVGPMNWTVMNAAA-UHFFFAOYSA-N 293.239 -0.432 50 20 CBGD C[C@@H](C#N)CNC(=O)NNC(=O)CNC(=O)c1ccco1 781951805 QHCFFICPPFBHKO-QMMMGPOBSA-N 293.283 -0.501 50 20 CBGD O=C(CO)NNC(=O)c1cnnn1-c1cccc(F)c1 790920241 ZAIZVESUHOSUID-UHFFFAOYSA-N 279.231 -0.840 50 20 CBGD CCCN(CC(N)=O)[C@@H](C)C(=O)NNC(=O)CC(C)C 795513462 LNFBCRGUOZIBDW-JTQLQIEISA-N 286.376 -0.234 50 20 CBGD COC(=O)[C@@H]1C[C@H](F)CN1CC(=O)NNC(=O)C1CC1 796512434 QMTLZNUHKHTWGL-IUCAKERBSA-N 287.291 -0.871 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@](C)(C(N)=O)C1 796579076 CBHDCJDEYCDWJD-PRHODGIISA-N 270.333 -0.870 50 20 CBGD CN(C)CCN1C(=O)C(=NNC(N)=O)c2ccccc21 807942661 CIWRVPVBBYWYMJ-UHFFFAOYSA-N 275.312 -0.033 50 20 CBGD CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)C1 814407696 KEHCAFYDPGZOBW-GHMZBOCLSA-N 297.355 -0.039 50 20 CBGD O=C(NNC(=O)c1cnn[nH]1)c1ccnc(-c2ncc[nH]2)c1 815443066 HZZYBPWCAIDBSC-UHFFFAOYSA-N 298.266 -0.335 50 20 CBGD CNC(=O)c1ccc(C(=O)NN(C)[C@H](C)CO)cn1 823959859 QZWCWEDCWGVWJR-MRVPVSSYSA-N 266.301 -0.601 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1csnc1C(=O)O 829799092 CQYLBODYEMXRLQ-UHFFFAOYSA-N 294.314 -0.646 50 20 CBGD O=C(CCOc1ccccc1)NNC(=O)[C@]1(O)CCOC1 840302074 WVUZGZHZAJIVFV-AWEZNQCLSA-N 294.307 -0.246 50 20 CBGD O=C(Cc1ccccc1F)NNC(=O)N[C@H]1[C@@H]2CNC[C@@H]21 842000233 URNVWPNYJFVEKM-IWIIMEHWSA-N 292.314 -0.084 50 20 CBGD CNCCN(C)CC(=O)NNC(=O)c1ccc(C)cc1 842473741 AWWLWIQYCDEZTE-UHFFFAOYSA-N 278.356 -0.093 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2nnnn2c1 843652296 IYDQLNAGMPOLMK-VXNVDRBHSA-N 290.283 -0.690 50 20 CBGD O=C(NN=c1cc[nH]cc1)[C@H]1CCc2nnnn2CC1 845925767 BSMYNCPKXPITRI-VIFPVBQESA-N 273.300 -0.414 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@H]2CC[C@@H]2C(N)=O)nc1 847616184 KOOWPXBVLKOUHD-IUCAKERBSA-N 292.295 -0.177 50 20 CBGD COc1ccc(N2C[C@@H](NC(=O)NN)CC2=O)cc1 851670326 MESQGHUKGBRGMN-QMMMGPOBSA-N 264.285 -0.027 50 20 CBGD C=C[C@](C)(O)C(=O)NNC(=O)C(C)(OCC)OCC 854388761 XEJUOGMMJLXEMO-NSHDSACASA-N 274.317 -0.140 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccc(C(=O)OC)n1C 854919849 ALAHNXINBCNSAJ-UHFFFAOYSA-N 284.341 -0.107 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccccc1OCC(N)=O 854928146 NNYWYOCFFIPGJN-UHFFFAOYSA-N 296.352 -0.368 50 20 CBGD C[C@@H]1CCCN(C(=O)C(=O)NNC(=O)c2cc[nH]n2)C1 855356109 HCBYOJYVAHVFHB-MRVPVSSYSA-N 279.300 -0.571 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)c1cccc(F)n1 856422299 RQMIGQYKWGDLEK-UHFFFAOYSA-N 268.248 -0.540 50 20 CBGD CC(C)[C@@H](O)C(=O)NNC(=O)c1cccc(F)n1 856426680 DXASARUFOJZHQU-SECBINFHSA-N 255.249 -0.001 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(C(N)=S)cc1 857107975 COQAKOFFHJPKNP-UHFFFAOYSA-N 280.353 -0.357 50 20 CBGD COC(=O)COCCNC(=O)NNC(=O)C1CCC1 858833318 HQKVJVURUWFMPD-UHFFFAOYSA-N 273.289 -0.694 50 20 CBGD CCc1nnc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 860264303 SQJCXVNHLSUAQT-RXMQYKEDSA-N 298.328 -0.468 50 20 CBGD COc1cc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)[nH]n1 861378801 AWZMLSIDGDGIOS-NKWVEPMBSA-N 283.288 -0.004 50 20 CBGD C[C@@H](NNC(=O)C1=NN2CCCN=C2N1)C(F)(F)F 862320013 DDQYEMURJBQRGU-RXMQYKEDSA-N 278.238 -0.464 50 20 CBGD CSC1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 862458387 FASPAIROEFLRMW-ZCFIWIBFSA-N 257.315 -0.692 50 20 CBGD CC(C)(C)C#CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862461477 PJFHDTPRAAQRAR-QMMMGPOBSA-N 251.286 -0.538 50 20 CBGD CCC[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862461995 NUIHHSFANDDQAJ-HLTSFMKQSA-N 253.302 -0.151 50 20 CBGD Cc1cc(=NNC(=O)C2(O)CCOCC2)cc[nH]1 862512033 HNUDTLDBZSLZBF-UHFFFAOYSA-N 251.286 -0.203 50 20 CBGD Cc1cc(=NNC(=O)[C@H]2NC(=O)O[C@H]2C)cc[nH]1 862512060 IQTMTSNLBZMIME-CBAPKCEASA-N 250.258 -0.248 50 20 CBGD CCO[C@H](CC(=O)NNC(=O)CS(C)(=O)=O)C(C)C 863462237 MFFIQNNJJOJBMB-SECBINFHSA-N 294.373 -0.370 50 20 CBGD O=C(COc1ccc(B(O)O)cc1)[C@H]1CCOC1 863866592 WWPYRBULWCVOOM-VIFPVBQESA-N 250.059 -0.649 50 20 CBGD CCC(CC)(CO)C(=O)NNC(=O)COCCOC 869904955 GEMPSMGCIMFTER-UHFFFAOYSA-N 276.333 -0.405 50 20 CBGD COCCOCC(=O)NN=C(C)c1cnnn1C 872400786 RMGRWICEEMKEOX-UHFFFAOYSA-N 255.278 -0.682 50 20 CBGD C#CCN(C)CCCNC(=O)NNC(=O)C1CCOCC1 883667611 AATVREPCYYGZJE-UHFFFAOYSA-N 296.371 -0.302 50 20 CBGD O=CN1CCC[C@@H]1c1nc(-c2cccc(B(O)O)c2)no1 896943186 DVDRQHBUAXMNCG-LLVKDONJSA-N 287.084 -0.290 50 20 CBGD C[C@H](O)CN(C)NC(=O)CC[C@]1(C)CCC(=O)N1 910155591 NKVMZSOMSTXYQG-CABZTGNLSA-N 257.334 -0.221 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CC[C@]1(C)CCC(=O)N1 910155593 NKVMZSOMSTXYQG-SKDRFNHKSA-N 257.334 -0.221 50 20 CBGD CCOC(=O)NCCCC(=O)NN(C)C[C@@H](C)O 910159714 BNURBNTVNSTLQC-SECBINFHSA-N 261.322 -0.144 50 20 CBGD CCCN1CCC[C@@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 912978691 VQHAASWMLIJUKD-GHMZBOCLSA-N 296.371 -0.466 50 20 CBGD CCC1(C(=O)NNC(=O)CN2CCCC2=O)COC1 913731768 VMVUDPWKLLITQA-UHFFFAOYSA-N 269.301 -0.817 50 20 CBGD COC(=O)[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)[C@H](C)C1 933170877 LHTNPKZQBIRWPQ-MWLCHTKSSA-N 297.355 -0.183 50 20 CBGD Cc1csc(CCC(=O)NNC(=O)C(=O)NC2CC2)n1 1116791585 OIARYDUJONDWRV-UHFFFAOYSA-N 296.352 -0.190 50 20 CBGD O=C(NCC1=CCCOC1)NNC(=O)C(=O)N1CCCC1 1261105332 MNUJZEAJWBEWPV-UHFFFAOYSA-N 296.327 -0.714 50 20 CBGD CN(NC(=O)c1ccnc(N2CCCC2)n1)C(N)=O 1261218591 ZLQFIIIVSKFRSN-UHFFFAOYSA-N 264.289 -0.268 50 20 CBGD CCc1cc(C(=O)NNC(=O)Cc2cc[nH]n2)nn1C 1320131224 DSFKJMZMSPADOA-UHFFFAOYSA-N 276.300 -0.291 50 20 CBGD C=C[C@@H](COC)NC(=O)NNC(=O)[C@@H](C)OCCOC 1320310542 LUUGJOOJCBLQCC-ZJUUUORDSA-N 289.332 -0.431 50 20 CBGD COc1cc(NC(=O)C(=O)NNC(C)=O)cc(OC)c1 1320510021 GAQNJIVWZUPSCX-UHFFFAOYSA-N 281.268 -0.190 50 20 CBGD CCC(=O)N1CC[C@@H](C(=O)NNc2nnc(C)c(O)n2)C1 1322800051 DNSQZOBOEBPILG-MRVPVSSYSA-N 294.315 -0.413 50 20 CBGD CC(C)CONC(=O)NNC(=O)C(=O)Nc1ccccn1 1324314506 KGKGULMGNWZFKG-UHFFFAOYSA-N 295.299 -0.062 50 20 CBGD COC(=O)C(=O)NN=C1CCN(CC(C)(C)O)CC1 1324430937 ZYDJYCODSZBMIG-UHFFFAOYSA-N 271.317 -0.502 50 20 CBGD Cn1ccc(CC(=O)NNC(=O)Cc2cc[nH]n2)n1 1326393307 AQSRJDWOBJBFMX-UHFFFAOYSA-N 262.273 -0.924 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H](C)Sc1nncn1C 1328418200 WSWBIGFPQLEDRV-LURJTMIESA-N 288.402 -0.237 50 20 CBGD O=C(NCCN1CCCOCC1)NNC(=O)c1cn[nH]c1 1329175202 NMPSOPMZSLQBRW-UHFFFAOYSA-N 296.331 -0.924 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccn1 1330109944 YNQNUFHARSUQAX-WCBMZHEXSA-N 276.296 -0.389 50 20 CBGD O=C(COCc1ccncc1)NNC(=O)[C@@H]1CCC(=O)N1 1331803000 KGNNEMYCJXBZQE-JTQLQIEISA-N 292.295 -0.976 50 20 CBGD Cc1c(CC(=O)NNC(=O)C2CCOCC2)cnn1C 1338187462 LYTMGOARQZFWFI-UHFFFAOYSA-N 280.328 -0.155 50 20 CBGD C[C@H](Sc1nncn1C)C(=O)NN(C)C(N)=O 1341604813 YVKCHMGDKPLDSR-YFKPBYRVSA-N 258.307 -0.663 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H](C)c1ncnn1C 1343496387 KYOCPVNUJIKOCP-SSDOTTSWSA-N 270.293 -0.757 50 20 CBGD COc1c(O)nc(O)nc1C(=O)NNC(=O)C1CCC1 1343529615 OOLZOZFFBRUWNL-UHFFFAOYSA-N 282.256 -0.543 50 20 CBGD N[C@H](CO)C(=O)NNC(=O)c1cccc(Cl)c1 1574264294 NXQHASDVABDIDS-MRVPVSSYSA-N 257.677 -0.579 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)CN)ccc1C 1578853247 PQVCYCKNBZERDQ-UHFFFAOYSA-N 265.269 -0.499 50 20 CBGD COC(=O)c1cccc(NNC(=O)COCCN)c1 1578877659 FTXIJYFXGNKBSC-UHFFFAOYSA-N 267.285 -0.108 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1C[C@H](N)C1(C)C 1579057246 WVZMCXURYKPRIS-BDAKNGLRSA-N 273.333 -0.830 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(C(=O)O)CCC1 1589415346 IAMSPLYHIBADQF-YUMQZZPRSA-N 270.285 -0.186 50 20 CBGD O=C(CN1CCOCC1=O)NNc1ncccc1C(=O)O 1594695880 CNJGWEYREJHIDJ-UHFFFAOYSA-N 294.267 -0.918 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@]1(C(=O)O)C[C@H](O)C1 1596862802 KHNIRQKYKWZKTP-KPIHBSQASA-N 254.242 -0.475 50 20 CBGD Cc1coc(CC(=O)O)c1C(=O)NNC(=O)C(C)(C)O 1600641763 WQPJYBRGQWXRFJ-UHFFFAOYSA-N 284.268 -0.253 50 20 CBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1ccc(C2CC2)cc1 1601635713 IWGHMHKUNXJXOS-UHFFFAOYSA-N 291.263 -0.266 50 20 CBGD O=C(O)[C@H](NS(=O)(=O)CCl)C1CCOCC1 1601677774 ODBUAHFEZDDZHZ-SSDOTTSWSA-N 271.722 -0.018 50 20 CBGD O=C(O)CCCCCNC(=O)NNC(=O)c1cn[nH]c1 1601985299 YZURWNVLHVTJLL-UHFFFAOYSA-N 283.288 -0.001 50 20 CBGD O=C(O)C(=O)NN=Cc1cnc(N2CCOCC2)s1 1610714350 PRIAZUURWRADBZ-UHFFFAOYSA-N 284.297 -0.486 50 20 CBGD O=C(NNC(=O)c1cnc2sccn2c1=O)NC1CC1 49150946 VYQWRRCFRXOMFO-UHFFFAOYSA-N 293.308 -0.138 50 20 CBGD O=C(NNc1ncccn1)N[C@@H]1CC(=O)N(C2CC2)C1 79051298 GZUWKMGCPUPABH-MRVPVSSYSA-N 276.300 -0.134 50 20 CBGD CN1CCN(CC(=O)NNC(=O)c2cccn2C)CC1 111542226 YEELQMUMJCLIOT-UHFFFAOYSA-N 279.344 -0.967 50 20 CBGD COc1ccccc1C(=O)NNC(=O)CSCC(N)=O 265443273 WXARBVGVMLDMAD-UHFFFAOYSA-N 297.336 -0.325 50 20 CBGD CN1C[C@H](NC(=O)NNC(=O)c2ccccc2O)CC1=O 267525312 WSIGYBVBTOEMTL-MRVPVSSYSA-N 292.295 -0.433 50 20 CBGD CC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)N(C)C 272955108 OVKNHQVCIFMDJW-VIFPVBQESA-N 258.322 -0.160 50 20 CBGD CN1CCN(C(=O)NNC(=O)CCc2cnn(C)c2)CC1 278632444 NFNVVTRULFAQRI-UHFFFAOYSA-N 294.359 -0.659 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)CC2CC2)c(=O)n1 294289457 WCQHHOLLJAIYJL-UHFFFAOYSA-N 278.312 -0.192 50 20 CBGD O=C(NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C(=O)NC1CC1 377886168 YYGKXSYGHGGUIF-UJNFCWOMSA-N 281.312 -0.773 50 20 CBGD CN1CCC(C#N)(NC(=O)c2cccc(B(O)O)c2)CC1 584941574 LBHMJIWNLNXGRJ-UHFFFAOYSA-N 287.128 -0.916 50 20 CBGD C[C@]1(CNC(=O)c2cc(B(O)O)ccc2F)CCOC1 584946591 VEKWTNFHKAXVDD-CYBMUJFWSA-N 281.092 -0.338 50 20 CBGD C[C@@H](O)C[C@H]1CCCN1C(=O)c1cccc(B(O)O)c1 584966083 VYIGTYHBCRDZKD-ZWNOBZJWSA-N 277.129 -0.258 50 20 CBGD COC[C@@H]1[C@H]2CN(C(=O)c3ccc(B(O)O)c(F)c3)C[C@H]21 584986225 CPLXKSFSMFBIKG-URLYPYJESA-N 293.103 -0.530 50 20 CBGD C[S@](=O)C1(CNCc2ccc(B(O)O)cc2F)CCC1 585038773 GNZUALOQUCIHAC-FQEVSTJZSA-N 299.176 -0.104 50 20 CBGD O=C(NCCC(=O)N1CC[C@@H](B(O)O)C1)c1ccsc1 585070148 WNNYVZKCSGXGBB-SNVBAGLBSA-N 296.157 -0.057 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCCOC1 727728938 UNXHCJIYJUOFED-MRVPVSSYSA-N 257.290 -0.915 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)N1 732280003 VMFMQIAJUJMNGH-ONGXEEELSA-N 289.291 -0.584 50 20 CBGD CC1(C)C[C@@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1 732893886 SKAVWRQSQUSBNN-SECBINFHSA-N 282.344 -0.015 50 20 CBGD CC(C)C(=O)NNC(=O)[C@H](NS(C)(=O)=O)C(C)C 733250927 JEDVXNUATCTHIS-MRVPVSSYSA-N 279.362 -0.636 50 20 CBGD CC(C)NC(=O)NNS(=O)(=O)C[C@@H]1CCCO1 735646855 VVRWMUSDAJQFLK-QMMMGPOBSA-N 265.335 -0.293 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cn1 748246991 HMDGONLVUQUHGE-UHFFFAOYSA-N 276.296 -0.227 50 20 CBGD CN(C)CC(=O)NNC(=O)CC[C@]1(C)CCC(=O)N1 753434902 OGVBXQRNYDBURF-LBPRGKRZSA-N 270.333 -0.856 50 20 CBGD Cc1cc(C(=O)NNC(=O)CO)n2nc(C)cc2n1 753438737 ISIKMUKBAJYCCW-UHFFFAOYSA-N 263.257 -0.901 50 20 CBGD CCn1nccc1C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 753697864 QSVUUQWYQXUUGK-SECBINFHSA-N 299.356 -0.277 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)C1CCCC1)S(C)(=O)=O 754674444 WEMIJDIJJPUSLL-QMMMGPOBSA-N 291.373 -0.060 50 20 CBGD NC(=O)C(=O)NN=C1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 760225896 OXWJBXGRGWGRSC-MRVPVSSYSA-N 294.271 -0.136 50 20 CBGD CC[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@H]1O 761129426 ZKFOCDXUVMHISX-SCZZXKLOSA-N 255.318 -0.754 50 20 CBGD Cc1nc(C(=O)NNC(=O)COc2ccccc2O)no1 766506358 MLJMGPKLGDMPIG-UHFFFAOYSA-N 292.251 -0.076 50 20 CBGD Cc1n[nH]c(C)c1CCC(=O)NNC(=O)C(C)(C)O 768244574 LXBXWCDJNLUHLM-UHFFFAOYSA-N 268.317 -0.123 50 20 CBGD CN(NC(=O)c1ccc([N+](=O)[O-])cc1O)C(N)=O 773563931 WMZBFUVDLQKYNC-UHFFFAOYSA-N 254.202 -0.044 50 20 CBGD C[C@H]1CCN(S(=O)(=O)NNC(=O)c2ccccn2)C1 777905506 IQSPCAFAMKROOG-VIFPVBQESA-N 284.341 -0.097 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNc1ncncc1Cl 781831671 NFXCVXCKDIHYMQ-BYPYZUCNSA-N 258.669 -0.370 50 20 CBGD O=C(CN1C[C@@H]2C[C@]2(CO)C1)NNC(=O)c1cccs1 782635525 VLCOZFKEVPYGSU-TVQRCGJNSA-N 295.364 -0.177 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CC(=O)N(C2CC2)C1 790464115 JVWFQWCFUOYMAW-UHFFFAOYSA-N 282.344 -0.556 50 20 CBGD Cn1cc(Oc2ccccc2C(=O)NNC(=O)CO)cn1 801642082 QQSVTIXLYHWDPQ-UHFFFAOYSA-N 290.279 -0.034 50 20 CBGD Cn1ncc(C=NNC(=O)CNC(=O)c2cccnc2)n1 814873611 JYPUIIDNERBMRI-UHFFFAOYSA-N 287.283 -0.910 50 20 CBGD COc1cnc(C(=O)NNC(=O)NCC2CC2)nc1 815113948 CDGCCIFFIGWWMT-UHFFFAOYSA-N 265.273 -0.161 50 20 CBGD O=C(CCCCc1cnn[nH]1)NNc1nc[nH]n1 816631748 CUHIJIWDORWWLR-UHFFFAOYSA-N 250.266 -0.221 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@]1(C)CCNC1=O 824015897 FQUPOMWBWJRVAM-JOAULVNJSA-N 269.301 -0.915 50 20 CBGD O=C(O)CCCNC(=O)NNC(=O)[C@H]1CCCO1 831057691 MRMMTJMKVKCGRS-SSDOTTSWSA-N 259.262 -0.639 50 20 CBGD CCNC(=O)N(C)NC(=O)C[C@@H](C(C)=O)C(=O)OCC 831854395 VCGGBJWLJWYGKJ-VIFPVBQESA-N 287.316 -0.163 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@]1(COC)CCNC1 831946051 ZJLXHEIXIQBSAZ-LLVKDONJSA-N 258.322 -0.695 50 20 CBGD COc1ccc(C(=O)CNC(=O)CCC(=O)NN)cc1 843453540 VRJXGYGRLCWPDN-UHFFFAOYSA-N 279.296 -0.236 50 20 CBGD CCn1ccc(C(=O)NNC(=O)c2cnn(C)c2)n1 843551169 BYQXBCQVYMTUNR-UHFFFAOYSA-N 262.273 -0.289 50 20 CBGD C=CCn1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)nn1 843600709 HKVKOXORMRBJKA-JTQLQIEISA-N 279.300 -0.206 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnsn1 843648060 VUMMNXMAGUWDFS-PHDIDXHHSA-N 256.287 -0.276 50 20 CBGD CC(C)(C)OC(=O)[C@]1(C(=O)NNC(=O)CO)CC1(C)C 857171220 WABIMIJQOKPVDR-CYBMUJFWSA-N 286.328 -0.116 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCO2 859348359 PSEIPBLFSJBELH-SSDOTTSWSA-N 293.279 -0.299 50 20 CBGD CC(=O)c1csc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862454038 BPRSNANPKRWRCQ-MRVPVSSYSA-N 295.320 -0.010 50 20 CBGD CSCC(C)(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862462226 OPRLMHQVKAZAAA-ZETCQYMHSA-N 273.358 -0.198 50 20 CBGD CC[C@@H](CS(=O)(=O)NNC(=O)c1cn[nH]c1)OC 863413332 FXHFGBCRRRAEPK-QMMMGPOBSA-N 276.318 -0.601 50 20 CBGD CCCCO[C@H](C)C(=O)NNC(=O)CS(C)(=O)=O 863460792 MTJNHTOVWQPOBW-MRVPVSSYSA-N 280.346 -0.616 50 20 CBGD CCOC(=O)C[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 863879863 FNCMMKGRVKCZSM-SECBINFHSA-N 279.101 -0.562 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@@H]2COC[C@@H]21 863885005 FGVCFDCGIDMHRC-RNCFNFMXSA-N 293.103 -0.244 50 20 CBGD CC1(C)OCC(NCc2cccc(B(O)O)c2)CO1 863891695 XQPWFKBINOJZPV-UHFFFAOYSA-N 265.118 -0.393 50 20 CBGD CNC(=O)NNC(=O)[C@@H](C)OCc1ccncc1 864993061 QRDCSALBAAQAQO-MRVPVSSYSA-N 252.274 -0.053 50 20 CBGD COC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1cccc(B(O)O)c1 867943752 FIWTUMKKHHVUNW-QWRGUYRKSA-N 295.075 -0.908 50 20 CBGD COC(=O)CNC(=O)NN=CC1CCN(C)CC1 872363803 RHMWSAFOSIVLDL-UHFFFAOYSA-N 256.306 -0.214 50 20 CBGD CCn1nncc1C=NNC(=O)COCCOC 872400535 UJQODXLZFVDGKX-UHFFFAOYSA-N 255.278 -0.589 50 20 CBGD COCCN(C)CCNC(=O)NN(C)C(=O)OC 875216396 SKWCELJUMDSAAP-UHFFFAOYSA-N 262.310 -0.523 50 20 CBGD Cc1cnc2c(C(=O)NNC(=O)CN(C)C)cnn2c1 896128078 GIHBVPHGDUBNGR-UHFFFAOYSA-N 276.300 -0.640 50 20 CBGD CN1CCO[C@@H](C(=O)NNc2ncncc2Cl)C1=O 907606081 XSDIETVXNRIMRI-ZETCQYMHSA-N 285.691 -0.570 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCC[C@H](C(N)=O)C1 910152480 MBRCEZUAQPARFS-GUBZILKMSA-N 257.334 -0.378 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CNC(=O)N1CCCC1 911503473 VFKXMLBHQCRHMJ-VHSXEESVSA-N 298.343 -0.636 50 20 CBGD COC1CC(C(=O)NNC(=O)CN2CCCC2=O)C1 913734662 WSVYPYJXGJOAHF-UHFFFAOYSA-N 269.301 -0.819 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1csnn1 917939042 WOHBUEQZECXQFM-UHFFFAOYSA-N 251.271 -0.049 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1 935907759 CCENGZOJQSPDEN-JTQLQIEISA-N 295.299 -0.049 50 20 CBGD Cc1nn(CCCl)c(C)c1C(=O)NCC(N)=O 1116067039 DXWKDCWQHOONSN-UHFFFAOYSA-N 258.709 -0.046 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H](O)c1ccccn1 1120628965 LCXONWDZBCALBK-VIFPVBQESA-N 252.274 -0.193 50 20 CBGD CN(C)c1nccc(NNC(=O)CO[C@H]2CCOC2)n1 1252537983 RMVBNKVDYLGFQK-VIFPVBQESA-N 281.316 -0.209 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)[C@@]3(C)CCOC3)nc21 1254697881 UXUIPYRJNNVFJZ-LBPRGKRZSA-N 292.299 -0.061 50 20 CBGD NC(=O)N1CCC[C@H](C(=O)NNc2ncccn2)C1 1317835658 AIEXMOAWPZQJLQ-QMMMGPOBSA-N 264.289 -0.290 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C1CCSCC1 1318435114 LNKVKBWNKXCGCY-UHFFFAOYSA-N 273.358 -0.198 50 20 CBGD COC(=O)c1cnc(C(=O)NNC(=S)NC(C)C)cn1 1320040662 CKURHENNJHNTDA-UHFFFAOYSA-N 297.340 -0.220 50 20 CBGD Cc1noc(CCC(=O)NNC(=O)NC2CC2)n1 1322020694 ANBFBBPYYJWBLK-UHFFFAOYSA-N 253.262 -0.197 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccc(O)cc1 1322253766 OPTASBRFOQCFBR-UHFFFAOYSA-N 267.241 -0.604 50 20 CBGD O=C(CN1C(=O)CNC1=O)NNc1cccc(Cl)n1 1324359790 NONCRWFIKWFEOM-UHFFFAOYSA-N 283.675 -0.270 50 20 CBGD COC(=O)[C@H]1C[C@@H](C(=O)NNC(=O)c2cccn2C)C1 1335538688 BHQCPQALFOXLQD-DTORHVGOSA-N 279.296 -0.015 50 20 CBGD CS/C=C/C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1340035208 OUFGVNLRGZOGNW-NUOXCJHRSA-N 278.355 -0.555 50 20 CBGD C[C@@H](O)c1cn(CC(=O)NNc2ncncc2F)nn1 1347728412 MKYDWBQUMSREOT-ZCFIWIBFSA-N 281.251 -0.596 50 20 CBGD CN(CC(=O)NNC(=O)[C@H]1CCN1)C(=O)OC(C)(C)C 1578436574 BVFBTTOELVRSGV-MRVPVSSYSA-N 286.332 -0.637 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)nn1 1594530415 RYIGQYRICZSLEJ-RQJHMYQMSA-N 281.272 -0.923 50 20 CBGD COCCCNC(=O)NNC(=O)c1cc(C(=O)O)co1 1599226725 GSQYHJLDIPKYTF-UHFFFAOYSA-N 285.256 -0.042 50 20 CBGD COCCc1ncc(C=NNC(=O)C(=O)O)s1 1599266914 VJWMTYOBEAREGM-UHFFFAOYSA-N 257.271 -0.133 50 20 CBGD Cn1ccnc(NNC(=O)CCCC(=O)O)c1=O 1600981813 ZRRJULXYIZRBGP-UHFFFAOYSA-N 254.246 -0.522 50 20 CBGD Cn1nnc(C(=O)NNc2ccc(CC(=O)O)cc2)n1 1601041003 YUWDZVNGJICEBJ-UHFFFAOYSA-N 276.256 -0.406 50 20 CBGD CC(=O)NNC(=O)c1cccc(F)c1-c1nn[nH]n1 1602948917 RQJHOCMVPNLHQH-UHFFFAOYSA-N 264.220 -0.213 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@]2(C(=O)O)C[C@H]2C)O1 1605053619 AVQBIFQWRYCARQ-VXDIOVFMSA-N 270.285 -0.188 50 20 CBGD CC(C)NC(=O)C(=O)NN=Cc1cc(C(=O)O)n(C)c1 1609706708 HAFXFYQQCPKKGB-UHFFFAOYSA-N 280.284 -0.302 50 20 CBGD NC(=O)[C@H]1CCCN1S(=O)(=O)CCCCl 36881953 ZNFSGTLQEUQJIA-SSDOTTSWSA-N 254.739 -0.105 50 20 CBGD Cc1cccc(C(=O)NNC(=O)C(=O)NC(C)C)n1 48482475 HCWMGAODGSXEJG-UHFFFAOYSA-N 264.285 -0.324 50 20 CBGD CN1C[C@H](C(=O)NNC(=O)NC2CCCC2)CC1=O 65919650 YWCGQJALHSOSKR-MRVPVSSYSA-N 268.317 -0.262 50 20 CBGD CC(C)[C@H](C(=O)NNC(=O)CN(C)C)N1CCCC1=O 113426568 HLDXQQOPQKUBON-GFCCVEGCSA-N 284.360 -0.658 50 20 CBGD CCN(CC(=O)NNC(=O)C1CC1)CC(C)(C)O 114487366 BZFCAPNLIIQEPU-UHFFFAOYSA-N 257.334 -0.363 50 20 CBGD CC1(C)OC[C@@H](COc2ccc(B(O)O)cc2)O1 202020706 KVYNGBVECZXYDJ-LLVKDONJSA-N 252.075 -0.103 50 20 CBGD COC(=O)[C@H]1C[C@H]1C(=O)NNC(=O)NCc1ccco1 263875042 JVNXEQAGIYYKTH-BDAKNGLRSA-N 281.268 -0.081 50 20 CBGD Cn1/c(=N\NC(=O)[C@H]2C[C@@H](O)CN2)sc2ccccc21 269198258 VCTIKJCQOYLWIT-NGXKXCJBSA-N 292.364 -0.106 50 20 CBGD COc1ccc(NNC(=O)Cn2ncn(C)c2=O)cc1 272708149 USULJYRQSHFEOE-UHFFFAOYSA-N 277.284 -0.266 50 20 CBGD C#CCC(C)(C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 274359611 KRJZPGCTKSSJQX-QMMMGPOBSA-N 289.357 -0.879 50 20 CBGD CCO/C=C(/C#N)C(=O)NC[C@]1(O)CCN(C)C1 490875713 IUQGEIOBDSHVAO-MQGYJPLLSA-N 253.302 -0.387 50 20 CBGD CC(C)(C)N1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584934295 QZVCCQSHWLSXDD-UHFFFAOYSA-N 290.172 -0.077 50 20 CBGD C[C@@H](CC(C)(C)O)NC(=O)c1ccc(B(O)O)c(F)c1 584995114 IWMZBUCYELYHDH-QMMMGPOBSA-N 283.108 -0.215 50 20 CBGD OB(O)c1ccc(CNC[C@H]2COCCO2)c(F)c1 585017061 JXFBFAQTPKVEIL-NSHDSACASA-N 269.081 -0.990 50 20 CBGD C[C@@H](Cn1ccnc1)NCc1cccc(B(O)O)c1 585018325 UVSNCGFTKLITLZ-NSHDSACASA-N 259.118 -0.259 50 20 CBGD OB(O)c1ccc(CNC[C@H]2CN3CCC[C@@H]3CO2)cc1 585022068 IGSWSUSWQPHGCV-CABCVRRESA-N 290.172 -0.681 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1)[C@@H](C)N1CCOCC1 585024048 PSDRTQNPVUBMHH-QWHCGFSZSA-N 292.188 -0.435 50 20 CBGD CCCC[C@H](NCc1ccc(B(O)O)o1)[C@H](C)O 585046184 RUNNGMFEYMYCFZ-ONGXEEELSA-N 255.123 -0.011 50 20 CBGD O=C(NCB(O)O)[C@H]1CC(=O)N(c2ccccc2F)C1 585058043 RLVGJNDNEIPFNH-QMMMGPOBSA-N 280.064 -0.693 50 20 CBGD C[C@@H](C(=O)NCB(O)O)N1CCc2ccccc2C1 585060872 GBMCESVMWZEFOH-JTQLQIEISA-N 262.118 -0.439 50 20 CBGD O=C(Cc1cnn2ccccc12)N1CC[C@H](B(O)O)C1 585063697 FRTGZWLJLPVWCN-NSHDSACASA-N 273.101 -0.048 50 20 CBGD O=C([C@H]1CSCCS1)N1CC[C@H](B(O)O)C1 585076860 ZWKFPGQYOOGLIX-JGVFFNPUSA-N 261.177 -0.090 50 20 CBGD CONC(=O)NNC(=O)CNC(=O)c1cccs1 725872654 FFUAUKDSSRSBMB-UHFFFAOYSA-N 272.286 -0.630 50 20 CBGD O=C(COC(=O)[C@H](O)C1CC1)NNC(=O)c1cccs1 730883228 MCWSQWMBGDLAMS-SNVBAGLBSA-N 298.320 -0.177 50 20 CBGD O=C(Cn1ccc([N+](=O)[O-])n1)NNc1cnccn1 734245601 VCKXQCUXDQFRPC-UHFFFAOYSA-N 263.217 -0.275 50 20 CBGD CCn1c(O)nnc1SCC(=O)NNC(=O)C1CC1 742448670 GGQVMHZMMKFKTG-UHFFFAOYSA-N 285.329 -0.347 50 20 CBGD CCN1CCN(CCC(=O)NNC(=O)C2CC2)CC1 750659326 NTEYMZGLGLLOQS-UHFFFAOYSA-N 268.361 -0.429 50 20 CBGD C#CCOCCC(=O)NNc1nccn(C)c1=O 756790569 UYAIANPFUQYLLM-UHFFFAOYSA-N 250.258 -0.737 50 20 CBGD CCO[C@@H](C)C(=O)NNc1ccc(C(N)=O)nn1 757400375 QKNIDUCHJCYYHC-LURJTMIESA-N 253.262 -0.556 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](C)[S@](=O)CC1 759870327 RBPSZOQFKPSAIR-ZPEMSAPTSA-N 289.401 -0.225 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1ccccc1C(=O)OC 763440885 OGPDPRUXOBHHTQ-UHFFFAOYSA-N 293.279 -0.031 50 20 CBGD COc1ccnc(NNC(=O)NC[C@@]2(OC)CCOC2)n1 764804504 LWENMPAFKVVLFE-LBPRGKRZSA-N 297.315 -0.083 50 20 CBGD CC(C)(C(N)=O)C(=O)NNC(=O)COc1ccccc1O 767887519 JMDFMDXCCHTGMD-UHFFFAOYSA-N 295.295 -0.570 50 20 CBGD CCc1ncncc1C(=O)NNC(=O)C(C)(C)O 768243273 CRPSFUZUNMFQSN-UHFFFAOYSA-N 252.274 -0.429 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCN(C)C(=O)C1 771976036 VIVAXGRONIXUFI-DTWKUNHWSA-N 299.327 -0.656 50 20 CBGD CSCCNC(=S)NNC(=O)Cc1ccn(C)n1 782761991 BCJVSCNWHABOBP-UHFFFAOYSA-N 287.414 -0.179 50 20 CBGD C[C@H]1C[C@H](C(=O)NNC(=O)Cc2cc[nH]n2)CO1 784399170 XNSHSUBYNOJPOM-YUMQZZPRSA-N 252.274 -0.475 50 20 CBGD CCN(CC(N)=O)CC(=O)NNC(=O)c1ccc(C)cc1 789515829 APNYKTPYTOZKFO-UHFFFAOYSA-N 292.339 -0.437 50 20 CBGD CN1C(=O)COc2cc(NC(=O)NNC(=O)CO)ccc21 799246086 OEHKDHLUTGQGRU-UHFFFAOYSA-N 294.267 -0.813 50 20 CBGD COc1cnc(NC(=O)NNC(=O)CN(C)C)s1 806516464 GRYWKRYIBXTSNG-UHFFFAOYSA-N 273.318 -0.134 50 20 CBGD O=C(CN1CCC[C@H](CO)CC1)NNC(=O)C1CC1 815278603 MYVBXLDEEXZTSX-JTQLQIEISA-N 269.345 -0.362 50 20 CBGD CNC(=O)NCCC(=O)NNc1ncncc1Cl 816340989 YPCKJJBDLDQXSF-UHFFFAOYSA-N 272.696 -0.108 50 20 CBGD CC[C@@H](CS(=O)(=O)NNC(=O)NCCCOC)OC 817353119 CTHKXOHQEIWWDY-VIFPVBQESA-N 297.377 -0.419 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 823976205 ATGXCJNMTQSHRT-CMPLNLGQSA-N 283.372 -0.021 50 20 CBGD COCCN(C)NC(=O)c1cnc(N(C)C)cn1 837627382 TVYCXXRHRCNZNL-UHFFFAOYSA-N 253.306 -0.234 50 20 CBGD C=CCn1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)nn1 843657171 DJFPGXKJKPSVBW-IUCAKERBSA-N 279.300 -0.350 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCC(=O)C1 843964736 HCAVGXVBLAXYAQ-NRPADANISA-N 254.286 -0.072 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ccc(F)nc2)CC1 854378973 JVIQOQUHRRKQCX-UHFFFAOYSA-N 281.291 -0.178 50 20 CBGD C#CC[C@@H](CO)NC(=O)/C(C#N)=C/c1cnn(C)c1 854542188 PEXLGZCXDUXKTC-JVOXIWMLSA-N 258.281 -0.173 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@@H]2CC[C@H]2C(N)=O)n1 857132520 IZCXCJZTUMYBIC-HTQZYQBOSA-N 278.316 -0.503 50 20 CBGD C[C@@H]1CCCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858696107 IXEKTBQEFINDEL-SFYZADRCSA-N 254.290 -0.510 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2F)N1 860852037 MWPFISRPZFNYDI-QMMMGPOBSA-N 281.247 -0.926 50 20 CBGD COCc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 862449423 OTRYNXXHEVKOLX-NSHDSACASA-N 291.307 -0.127 50 20 CBGD CO[C@H](CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(F)(F)F 862463542 HFOQIZCQWLDITL-NTSWFWBYSA-N 297.233 -0.620 50 20 CBGD CCO/C=C(\C#N)C(=O)NN1CCS(=O)(=O)CC1 862733523 DUYQDMRGVGOUMJ-CMDGGOBGSA-N 273.314 -0.808 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)c1cnn2c1OCCC2 891257468 POMFRJCFHUJRRI-SNVBAGLBSA-N 294.311 -0.004 50 20 CBGD O=C(CO)NNC(=O)[C@]1(c2ccccc2)CCCO1 897607078 YMRZCUJPQDDDHS-CYBMUJFWSA-N 264.281 -0.168 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1ccccc1CN 904644284 OPWUQEDBMBNPSD-UHFFFAOYSA-N 265.317 -0.140 50 20 CBGD CN1CCO[C@@H](C(=O)NNc2ncc(F)cc2F)C1=O 909546594 NNUPRXWZZKBUIK-QMMMGPOBSA-N 286.238 -0.340 50 20 CBGD Cc1ccn(CC(=O)NN(C)C[C@H](C)O)c(=O)c1 910152125 IUMPKTTUMNUJQW-JTQLQIEISA-N 253.302 -0.499 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 910169613 FGEWZVSAQAFGBR-ZYHUDNBSSA-N 283.372 -0.021 50 20 CBGD Cn1cccc1C=NNC(=O)N[C@H]1CCS(=O)(=O)C1 920383632 GJJJDZIZNFXEOJ-VIFPVBQESA-N 284.341 -0.155 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2C[C@@H]3[C@@H](C2)C3(F)F)N1 1118864173 LVFKXANCOJJZRS-FSDSQADBSA-N 288.254 -0.797 50 20 CBGD O=C1CC[C@@H](C(=O)NNc2ccc(-n3ccnc3)nn2)N1 1118944210 GLYSHNWPPAHCCW-QMMMGPOBSA-N 287.283 -0.616 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@@H]1C1CC1)[C@@H]1CCS(=O)(=O)C1 1318969917 WDQTUQDMLRTGRW-OPRDCNLKSA-N 286.353 -0.385 50 20 CBGD O=C(CO[C@H]1CCOC1)NNC(=O)c1ccc[nH]1 1318973266 GXLVXIHLOFDQMW-QMMMGPOBSA-N 253.258 -0.419 50 20 CBGD CNC(=O)c1cccc(C(=O)NNC(=O)N(C)C)c1 1319084148 PVRJEJWFILKHEC-UHFFFAOYSA-N 264.285 -0.038 50 20 CBGD O=C(Cn1cncn1)NNc1nc2ccccn2n1 1320697468 MIENRIWQCSZEGG-UHFFFAOYSA-N 258.245 -0.536 50 20 CBGD Cn1cnc(CNC(=O)NNC(=O)C(C)(C)C)n1 1323290271 AMVGFEZRJKYRNB-UHFFFAOYSA-N 254.294 -0.308 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1cncn1C 1326348381 OIZOBAHHZKPRLI-KOLCDFICSA-N 280.328 -0.075 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)[C@H]3CCC(=O)C3)nc21 1326655229 XUKRPJNQSUCSEI-LURJTMIESA-N 290.283 -0.119 50 20 CBGD COc1nn(C)cc1C(=O)NNC(=O)Cc1cc[nH]n1 1333163440 LYTBOMRUSDLAJP-UHFFFAOYSA-N 278.272 -0.845 50 20 CBGD Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](B(O)O)C1 1351730792 ZYVPHCAABSNCKT-ZETCQYMHSA-N 279.061 -0.134 50 20 CBGD N[C@H](C(=O)NNC(=O)C1CCOCC1)C1CCC1 1580115270 QSLGYMOLPGRGNT-JTQLQIEISA-N 255.318 -0.312 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@@H](C(=O)O)[C@H](C)C1 1588799310 CQDSUCMMJQWULO-NXEZZACHSA-N 285.344 -0.168 50 20 CBGD CC(C)[C@H](CNC(=O)NNC(=O)c1ncon1)C(=O)O 1588824898 GKIDGZZEGSIXOD-LURJTMIESA-N 285.260 -0.630 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(C(=O)O)CCC1 1589415343 IAMSPLYHIBADQF-HTQZYQBOSA-N 270.285 -0.186 50 20 CBGD CN(C)CC(=O)NN=C1CCN(CCC(=O)O)CC1 1598197207 XIIBWYWZAJCORU-UHFFFAOYSA-N 270.333 -0.409 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C(=O)O)cc1Cl 1600441628 JZFWVOJNIWMVTQ-UHFFFAOYSA-N 299.670 -0.181 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@]1(C(=O)O)CCCO1 1603479598 GDWJNRZIFWNZNB-JOAULVNJSA-N 286.284 -0.807 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@@H](C)NC(C)=O)cc1 25379132 DKMXSVYQFBUHRX-MRVPVSSYSA-N 279.296 -0.019 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C1(C#N)CCCC1 52773329 ZYQMWQOUALFUOU-UHFFFAOYSA-N 266.301 -0.258 50 20 CBGD Cn1cccc1C(=O)NNC(=O)COC[C@@H]1CCCO1 76948488 ARAJRQKYWWYVCN-JTQLQIEISA-N 281.312 -0.018 50 20 CBGD Nc1nccnc1C(=O)NNC(=O)Cc1cccnc1 103533511 JTWDMQDPHGCLQI-UHFFFAOYSA-N 272.268 -0.543 50 20 CBGD CCC(=O)N1CC[C@@H](C(=O)NNC(=O)c2cc(C)n[nH]2)C1 151466138 SNMVWGIZHXFHLZ-SECBINFHSA-N 293.327 -0.262 50 20 CBGD CC(=O)N1CC(C(=O)NNc2nc3ccccn3n2)C1 191900950 HMAZQSCBAXOJOW-UHFFFAOYSA-N 274.284 -0.349 50 20 CBGD CC(=O)NNC(=O)c1cccc(C(=O)NNC(C)=O)c1 216306509 RXDQBYNHMAYHDO-UHFFFAOYSA-N 278.268 -0.752 50 20 CBGD CC[C@H](CSC)NC(=O)NNC(=O)C(=O)NC1CC1 271711229 JNZOIPFFUVQWMB-SSDOTTSWSA-N 288.373 -0.263 50 20 CBGD CCC1(O)CN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584987226 KIUBNUOUJUGEKG-UHFFFAOYSA-N 267.065 -0.898 50 20 CBGD CC1(C)C[C@@H](O)CCN(C(=O)c2ccc(B(O)O)cc2)C1 584996465 IIURKBLCDZTDOF-ZDUSSCGKSA-N 291.156 -0.011 50 20 CBGD CN(C[C@@H]1CCCN1C)C(=O)c1ccc(B(O)O)cc1 584999057 CPLGKFHMSLDSAU-ZDUSSCGKSA-N 276.145 -0.467 50 20 CBGD O=C(NC[C@@H]1CCN1C1CC1)c1ccc(B(O)O)c(F)c1 585005295 DGXDAFGIQMYKAY-NSHDSACASA-N 292.119 -0.528 50 20 CBGD C[C@H]1CN(C)CC[C@H]1NCc1ccc(B(O)O)cc1 585022439 NYYXSNNKMWMZMZ-SMDDNHRTSA-N 262.162 -0.204 50 20 CBGD OC[C@@H](CNCc1ccccc1B(O)O)C1CCC1 585039961 CQLNMQKNGSLNJH-CYBMUJFWSA-N 263.146 -0.135 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCn2cccc21 728434526 MGVHVDZTCKXQMP-MRVPVSSYSA-N 284.341 -0.350 50 20 CBGD CCOCC(=O)NNC(=O)NCCCN1CCCC1 731278971 SDXXGMJVWKBTEM-UHFFFAOYSA-N 272.349 -0.161 50 20 CBGD CN(CC(=O)NNC(=O)Cc1ccccn1)C(=O)O 737394293 ZMYUNRLXTQUWMK-UHFFFAOYSA-N 266.257 -0.619 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2nccn3ccnc23)cn1 743453612 GPNWOXWGIWUVFQ-UHFFFAOYSA-N 285.267 -0.462 50 20 CBGD CN(C)c1ncccc1C(=O)NNC(=O)N1CCOCC1 745986433 UOBQIEMLXYGCQI-UHFFFAOYSA-N 293.327 -0.166 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=O)c1ccccc1OC 755003263 XEMCTPVIZSYXTC-CYBMUJFWSA-N 282.296 -0.146 50 20 CBGD Cc1nnc2ccc(C(=O)NNC(=O)Cc3cc[nH]n3)cn12 755275366 GTZOUAZVJPMRIQ-UHFFFAOYSA-N 299.294 -0.235 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@]1(C)CCOC1 755292975 GGQBAKWONLPGPG-LLVKDONJSA-N 252.274 -0.094 50 20 CBGD C#CCOc1ccc(NC(=O)NNC(=O)CO)cc1 756478906 GZBIRIGDEAJDMF-UHFFFAOYSA-N 263.253 -0.156 50 20 CBGD COCC(=O)NNC(=O)Nc1ccc2c(c1)C(=O)NCC2 756619081 WEILGBZYMMCANM-UHFFFAOYSA-N 292.295 -0.228 50 20 CBGD COCC(=O)N(C)CC(=O)NNC(=O)CC1CCCC1 760138681 GUNRLRLZVVFFKC-UHFFFAOYSA-N 285.344 -0.181 50 20 CBGD COCCOc1ccc(NC(=O)NNC(=O)COC)cn1 761851326 FHAAZEHOOKNNGA-UHFFFAOYSA-N 298.299 -0.094 50 20 CBGD O=C(CNC(=O)c1cccnc1)NN=C[C@@H]1CCOC1 763194116 FJOXGLJFRBPPJZ-JTQLQIEISA-N 276.296 -0.050 50 20 CBGD CCOCCNC(=S)NNC(=O)c1cc(C)[nH]n1 764496869 GBVKLYQPFNQTFY-UHFFFAOYSA-N 271.346 -0.136 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1c(N)cccc1[N+](=O)[O-] 768243755 HCWXCJNBDHIVAT-UHFFFAOYSA-N 282.256 -0.291 50 20 CBGD CCC1(C(=O)NNC(=O)c2cc(C)[nH]n2)COC1 768279169 VVSKQPAKOXUZRI-UHFFFAOYSA-N 252.274 -0.094 50 20 CBGD C[C@@H]1CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)CCO1 773209891 VRQTXHHEAXNEAI-HTQZYQBOSA-N 277.346 -0.405 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1c[nH]c(C#N)c1 778783294 FELYNIXVZWOKOS-UHFFFAOYSA-N 291.311 -0.048 50 20 CBGD C[C@H](CC(=O)NNC(=O)C(C)(C)O)NC(=O)C1CCCC1 787946197 PRAHQARLZNOIDP-SECBINFHSA-N 299.371 -0.010 50 20 CBGD C[C@@](O)(C(=O)NNC(=O)N1CCOCC1)C1CC1 804324802 XFMZDGWQXSMTPZ-NSHDSACASA-N 257.290 -0.780 50 20 CBGD CCOC1(C(=O)NNC(=O)C(C)(C)O)CCOCC1 804942644 LGZLMTGVOFONIH-UHFFFAOYSA-N 274.317 -0.510 50 20 CBGD CCn1nncc1C(=O)NNC(=O)c1ccccn1 814683838 RRRALVSEBXARAX-UHFFFAOYSA-N 260.257 -0.232 50 20 CBGD CCn1nc(C(=O)NNC(=O)CC2CC2)ccc1=O 819110316 YDIVBPXXTUUERE-UHFFFAOYSA-N 264.285 -0.176 50 20 CBGD O=C(C[C@H]1CCC(=O)N1)NNC(=O)C1CCCC1 821754403 BVTNWGDATFMNLZ-SECBINFHSA-N 253.302 -0.007 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H]([C@@H](C)N)C1 843353305 GDNIEJKIVDXTIX-VWYCJHECSA-N 270.377 -0.009 50 20 CBGD O=C(CN1c2ccccc2C[C@H]1CO)NNC(=O)C1CC1 852403722 WDNBJJAYKFFDQS-LBPRGKRZSA-N 289.335 -0.033 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)N[C@@H]2COC(=O)C2)cn1 854554597 KSUMXKQRAGMNNF-XLDBQWFASA-N 260.253 -0.241 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=O)CC(F)(F)F 855001179 XBNWJSJWXZOADK-SSDOTTSWSA-N 258.196 -0.516 50 20 CBGD O=C(CCN1CCOC1=O)NNC(=O)c1cc[nH]n1 855359486 UBCGRIPPFYBSBZ-UHFFFAOYSA-N 267.245 -0.987 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)n1 857132521 IZCXCJZTUMYBIC-JGVFFNPUSA-N 278.316 -0.503 50 20 CBGD CC[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)[C@@H]1CCCO1 858324241 NWTLXMBTKUUMSU-AEJSXWLSSA-N 298.343 -0.447 50 20 CBGD COc1ncccc1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 860459131 VLKMGVQZZOTYBX-ZETCQYMHSA-N 293.283 -0.479 50 20 CBGD COC1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCCCC1 862460740 IUSQUXHXJSMHGQ-SECBINFHSA-N 283.328 -0.238 50 20 CBGD COCCOCC(=O)NNC(=O)CC1(OC)CCC1 869906682 OWKVMJYMKVOXRS-UHFFFAOYSA-N 274.317 -0.244 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)CN1CCOC1=O 873741001 PUXLQUXBFZTGIZ-UHFFFAOYSA-N 259.262 -0.006 50 20 CBGD CN1C(=O)CS/C1=C/C(=O)NNC(=O)C1CCC1 874456110 TZNUAWCHUHLWCA-BJMVGYQFSA-N 269.326 -0.020 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ncc2n1CCCC2 878681447 RAGKZWJXKJOLSX-UHFFFAOYSA-N 265.317 -0.458 50 20 CBGD Cc1cnc(COCC(=O)NN(C)C[C@H](C)O)o1 910157180 PJPHRCBNJKFJFY-QMMMGPOBSA-N 257.290 -0.157 50 20 CBGD CNC(=O)NNC(=O)c1cc(N2CCNC2=O)ccc1F 1252010609 NVQOLIRNEKOGLX-UHFFFAOYSA-N 295.274 -0.071 50 20 CBGD Nc1cnnc(NNC(=O)[C@H]2CCNC2=O)c1Cl 1261728462 TZAOQGLIFQQXQL-BYPYZUCNSA-N 270.680 -0.709 50 20 CBGD COC(=O)c1cnn(CC(=O)NNC(=S)NC(C)C)c1 1261787204 HLACFZCZKNLNNK-UHFFFAOYSA-N 299.356 -0.427 50 20 CBGD CCOCCNC(=O)NNC(=O)c1cnn(C)c1 1318579131 NFSCNKOABXYDFO-UHFFFAOYSA-N 255.278 -0.599 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCC(NC(N)=O)CC1 1319370610 PSUXLFIKVBPOHO-UHFFFAOYSA-N 299.375 -0.687 50 20 CBGD Cn1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 1319722322 SZGKCMZNQZCPSX-SECBINFHSA-N 285.325 -0.779 50 20 CBGD COC[C@@H](C)NC(=S)NNC(=O)Nc1noc(C)n1 1320071257 UBCUXAYNDKFAEP-RXMQYKEDSA-N 288.333 -0.086 50 20 CBGD CC(C)NC(=O)NNC(=O)C1(S(C)(=O)=O)CC1 1321055622 PYSMVCKYUNOELM-UHFFFAOYSA-N 263.319 -0.698 50 20 CBGD CC(C)NC(=O)CNC(=S)NNC(=O)c1cccnc1 1322377532 UQTRCATWJFCZBE-UHFFFAOYSA-N 295.368 -0.285 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCCOCC1 1325991749 YLEADDJKPPSKHK-UWVGGRQHSA-N 271.317 -0.126 50 20 CBGD O=C(CCn1cnccc1=O)NNC(=O)CC(F)(F)F 1328372791 MEBBXMWTDOMNBT-UHFFFAOYSA-N 292.217 -0.267 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CCC(=O)[C@@H](C)C1 1329608451 OBBIOLLQIXUTLU-VHSXEESVSA-N 286.328 -0.198 50 20 CBGD COCCn1ccc(C(=O)N2CC[C@@H](B(O)O)C2)n1 1330261266 DUBLOHHCWRNNQM-SECBINFHSA-N 267.094 -0.782 50 20 CBGD C[C@@H](CC(F)(F)F)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 1348111196 SXHVUXNKSPSCPN-NTSWFWBYSA-N 296.249 -0.064 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCc2nnn(C)c2C1 1348954951 LDNSCFXKWYHHQA-DTWKUNHWSA-N 267.333 -0.736 50 20 CBGD CN1C(=O)CCC[C@@H]1C(=O)N1CC[C@@H](B(O)O)C1 1353926859 VWOMBSQOWUYPMA-RKDXNWHRSA-N 254.095 -0.927 50 20 CBGD COC(=O)N(C)NC(=O)Nc1nn(C)c(C)c1CN 1578822684 ITIUTIOXLOBVPE-UHFFFAOYSA-N 270.293 -0.078 50 20 CBGD CCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)n1 1590744564 SKHAHVVNQDIVMO-UHFFFAOYSA-N 276.260 -0.774 50 20 CBGD OB(O)[C@H]1CCN(c2cnccc2-c2nn[nH]n2)C1 1593498618 QIEBOBRCZIOEHP-ZETCQYMHSA-N 260.066 -0.685 50 20 CBGD O=C(O)[C@@H](C(=O)NNc1ncnc2[nH]cnc12)C1CC1 1594835379 GUMFWTCUSDRUOX-ZCFIWIBFSA-N 276.256 -0.093 50 20 CBGD O=C(O)c1cccnc1NNC(=O)[C@]1(O)CCOC1 1595262302 XTPOTROTVUDAKU-NSHDSACASA-N 267.241 -0.626 50 20 CBGD Cn1ccnc(NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)c1=O 1600980550 GJNNQFQPXSPSSO-JGVFFNPUSA-N 280.284 -0.276 50 20 CBGD Cc1csc(NC(=O)NNC(=O)C(=O)NC2CC2)n1 49206773 MRAPWJBBXQPCTD-UHFFFAOYSA-N 283.313 -0.117 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)CCS1 112980053 CMYZCCOTMHXVPZ-MRVPVSSYSA-N 257.359 -0.019 50 20 CBGD NC(=O)C1(NS(=O)(=O)CCCCCl)CC1 154680100 PJJUXVSLZURWDP-UHFFFAOYSA-N 254.739 -0.057 50 20 CBGD COc1ccnc(NNC(=O)N[C@@H]2CC(=O)N(C)C2)n1 267782820 YMRNBPHSROLHAS-SSDOTTSWSA-N 280.288 -0.658 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCN1CCN(C(C)=O)CC1 269482366 OUAKRDFXKVNNKT-ACCUITESSA-N 294.355 -0.289 50 20 CBGD COc1cccc(NNC(=O)[C@@H](C)NS(C)(=O)=O)n1 272509197 IRXSLFLQYOOYID-SSDOTTSWSA-N 288.329 -0.529 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 273971665 JRBSOINLJKUEMK-NSHDSACASA-N 279.296 -0.465 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)C1(O)CCC1 274914410 YIBGOFCEMSQJKJ-UHFFFAOYSA-N 281.268 -0.928 50 20 CBGD CO[C@H](C)C(=O)NNC(=O)CNC(=O)c1cccs1 299597074 CKWZNWHWQYXPNR-SSDOTTSWSA-N 285.325 -0.340 50 20 CBGD Cc1noc([C@@H](C)NC(=O)c2cc(B(O)O)ccc2F)n1 584936072 DMTNCBWEKWGDPT-ZCFIWIBFSA-N 293.063 -0.312 50 20 CBGD Cn1cc(CCCNC(=O)c2cccc(B(O)O)c2)cn1 584940468 WCUIRXAPAWXTLR-UHFFFAOYSA-N 287.128 -0.538 50 20 CBGD CC[C@@]1(CO)CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584973005 BTRBEFYSXKYXGG-OAHLLOKOSA-N 291.156 -0.009 50 20 CBGD OB(O)c1ccc(CN[C@H]2COC3(CCC3)C2)o1 585047928 YAHGVOIXNHMYAK-SECBINFHSA-N 251.091 -0.239 50 20 CBGD O=S(=O)(CC1CC(F)(F)C1)N1CC[C@@H](B(O)O)C1 585056842 YCOPYIKJFVDMBP-MRVPVSSYSA-N 283.105 -0.090 50 20 CBGD O=S(=O)(/C=C/c1ccccc1F)NCB(O)O 585059791 ZKASPQORDAUYOJ-AATRIKPKSA-N 259.067 -0.272 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)c1cn[nH]c1 730781241 IUHFOXVCPSKTOQ-UHFFFAOYSA-N 276.252 -0.045 50 20 CBGD CC(C)C[C@H](NC(=O)O)C(=O)NNC(=O)Cc1cc[nH]n1 736415023 HGXCPWCYPFKDFP-VIFPVBQESA-N 297.315 -0.218 50 20 CBGD CN1CCN(c2ncc(C=NNC(N)=O)cn2)CC1 755463950 HMQIICZVMZHAIF-UHFFFAOYSA-N 263.305 -0.769 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCCCN1CCOCC1 768242171 ZVLVSPLWJZUGOB-UHFFFAOYSA-N 287.360 -0.593 50 20 CBGD CCC(=O)N[C@@H](CCSC)C(=O)NN(C)C(N)=O 778417944 ZQRFQXGSPJXSML-ZETCQYMHSA-N 276.362 -0.324 50 20 CBGD CN1C(=O)CN(NS(=O)(=O)CCCCCl)C1=O 780840017 OUCADPLPRGVTGG-UHFFFAOYSA-N 283.737 -0.266 50 20 CBGD CC[C@](C)(OC)C(=O)NNC(=O)N1CCN(C)CC1 807380531 XBRFWBDXYQVVDB-LBPRGKRZSA-N 272.349 -0.210 50 20 CBGD COCCOCC(=O)NNC(=O)c1cc([N+](=O)[O-])c[nH]1 812203559 FZYPLLBXUIIMKG-UHFFFAOYSA-N 286.244 -0.653 50 20 CBGD CCN(CC(=O)NNC(=O)C1CC1)C[C@@H](C)OC 812909008 PXWUHJHEYZCLHG-SECBINFHSA-N 257.334 -0.099 50 20 CBGD CC(=O)NNC(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1 825297125 JOJNEUHCTMJALC-ZJUUUORDSA-N 295.320 -0.142 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CCCC[C@@H]1CN 841950676 VHKYXCHIFMZREP-ZJUUUORDSA-N 272.349 -0.129 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](CN)C[C@H]1C 843362951 VOIZYFIFMXWGRM-UTLUCORTSA-N 256.350 -0.399 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCC(=O)C1 843792091 HAFKXDRCCJHNJB-SSDOTTSWSA-N 250.258 -0.152 50 20 CBGD CN[C@@H]1CCN(S(=O)(=O)CBr)C1 850581348 DBIWHOBPDOXWGV-ZCFIWIBFSA-N 257.153 -0.038 50 20 CBGD CN1C[C@H](NC(=O)NNC(=O)c2cccc(F)n2)CC1=O 852189147 XOUKXBDBCINNGX-SSDOTTSWSA-N 295.274 -0.605 50 20 CBGD CON(C)C(=O)[C@@H](C)NC(=O)NNC(=O)C1CCC1 858992242 GICKVIWOCAULDQ-SSDOTTSWSA-N 272.305 -0.475 50 20 CBGD C[C@@H](NNC(=O)[C@@H]1CN2CCCN1CC2)C(F)(F)F 862315975 IMQOFFLOCRFIKM-BDAKNGLRSA-N 280.294 -0.052 50 20 CBGD CC1=C(C(=O)NNC(=O)[C@H]2CCC(=O)N2)SCCO1 862458816 JNHGMAMXAUNJSQ-SSDOTTSWSA-N 285.325 -0.593 50 20 CBGD COCCC(C)(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862461072 LMHNRKBOVCUBRM-MRVPVSSYSA-N 271.317 -0.525 50 20 CBGD CCC(C)(C)N[C@H](C)C(=O)NNC(=O)CS(C)(=O)=O 863464970 NMYGTWJGPCZCSP-MRVPVSSYSA-N 293.389 -0.655 50 20 CBGD COC(=O)[C@@]1(F)CCN(C(=O)c2cccc(B(O)O)c2)C1 863874957 GPQUPDHJTGTAKT-CYBMUJFWSA-N 295.075 -0.906 50 20 CBGD CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(B(O)O)cc1 863878275 OSQYXFQUEPJYLV-LBPRGKRZSA-N 292.144 -0.743 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCO[C@@H]2C[C@@H]21 863882128 IOLKDEWIDRCNOD-WDEREUQCSA-N 265.049 -0.881 50 20 CBGD COC[C@@]1(C(=O)NNc2nc(C)cc(C)n2)CNCCO1 876544194 PTCFFOKEYUGXNW-CYBMUJFWSA-N 295.343 -0.458 50 20 CBGD CCOC(=O)[C@H](C)NCc1ccccc1B(O)O 877471610 VBEDIWSLVJNNFZ-VIFPVBQESA-N 251.091 -0.592 50 20 CBGD C#CCCCC(=O)NNS(=O)(=O)C[C@@H](C)OC 901964283 GSLJWWXDHWAUQK-SECBINFHSA-N 262.331 -0.225 50 20 CBGD CC1(C)C[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 913731308 CNXQQEPOACYQPF-MRVPVSSYSA-N 253.302 -0.198 50 20 CBGD COCCn1ccc(C(=O)NNC(=O)c2cnn(C)c2)n1 1116708981 JLJRYMOVMOCQEI-UHFFFAOYSA-N 292.299 -0.662 50 20 CBGD O=C(CC[C@H]1CCOC1)NNC(=O)[C@@H]1CCC(=O)N1 1118884240 CSMOJXXQBWIPII-IUCAKERBSA-N 269.301 -0.771 50 20 CBGD C[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)C(F)(F)F 1118895104 HDSAONYRDDIOED-BYPYZUCNSA-N 276.236 -0.623 50 20 CBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)C1CCOCC1 1119600687 LGEQGKWNCPFSOC-MRVPVSSYSA-N 272.301 -0.240 50 20 CBGD C[C@H](C(=O)NNC(=O)NCC1CC1)[C@H]1CCC(=O)N1 1261792684 HOAWAVRPSMPSOC-IONNQARKSA-N 268.317 -0.359 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C 1322247844 DMSOOCRMJPBXFV-YIZRAAEISA-N 299.327 -0.307 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CCCOCC1 1325991748 YLEADDJKPPSKHK-NXEZZACHSA-N 271.317 -0.126 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CCc2nncn2C1 1326212216 ZGDGFTLQARCDAY-ZETCQYMHSA-N 252.278 -0.809 50 20 CBGD CC(C)n1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 1330225762 JAMQBVBPKCQKBM-VIFPVBQESA-N 279.300 -0.496 50 20 CBGD Cc1nnc(NNC(=O)c2cc(C#N)c[nH]2)nc1O 1330807969 QOGXCVZSKNCXJV-UHFFFAOYSA-N 259.229 -0.158 50 20 CBGD CC1(C)C[C@@H](C(=O)NNC(=O)CN2CCCC2=O)CCO1 1336064004 METOUWMWBYXOHX-JTQLQIEISA-N 297.355 -0.039 50 20 CBGD Cn1ccnc(NNC(=O)C[C@@H]2CCCC(=O)N2)c1=O 1347209428 IZJFLZFMRKMKBT-QMMMGPOBSA-N 279.300 -0.718 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)C[C@@H]1CCC(=O)N1 1347616869 LUMZUWAZVNDICE-JTQLQIEISA-N 276.296 -0.560 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H](N)CC(F)F 1579016708 PBTNUMJLCVNWNY-ZCFIWIBFSA-N 268.264 -0.664 50 20 CBGD COC(=O)C(=O)NN=C(C)c1cccc(-c2nn[nH]n2)c1 1591225847 BREWYOWATPWFMP-UHFFFAOYSA-N 288.267 -0.120 50 20 CBGD O=C(O)COCC(=O)NNC(=S)NCC1CCC1 1595107389 VYPKOUYWRDJBNM-UHFFFAOYSA-N 275.330 -0.617 50 20 CBGD Cc1noc(C)c1[C@H](C)CNC(=O)NNC(=O)C(=O)O 1600807367 IJEDVKHBRBEYHO-RXMQYKEDSA-N 284.272 -0.190 50 20 CBGD O=C(O)[C@@H]1CN(S(=O)(=O)CCCCl)CCO1 1601848889 ORYPFUDIUOPXPG-ZETCQYMHSA-N 271.722 -0.270 50 20 CBGD O=C(Cn1cc(C(=O)O)nn1)NCC(Cl)Cl 1608376330 WRLDZLHBGXAZKV-UHFFFAOYSA-N 267.072 -0.104 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H](CC(=O)O)C1CC1 1609881497 LXIRMBHDCZSFNT-IONNQARKSA-N 271.317 -0.225 50 20 CBGD CNC(=O)NNC(=O)CNC(=O)NC1CCCCC1 48950830 WBNBCDJFOLNBTR-UHFFFAOYSA-N 271.321 -0.422 50 20 CBGD C[C@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)NC1CC1)CS2 49150757 OOVLEYMBGGUXTQ-PELKAZGASA-N 298.368 -0.067 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](C(=O)NC)C1 111264759 BCGIHKGUXMUXRC-UWVGGRQHSA-N 284.360 -0.610 50 20 CBGD COC[C@H](CO)NC(=O)NNC(=O)c1ccccc1C 279562064 FHTRDSPKDCGLGQ-JTQLQIEISA-N 281.312 -0.054 50 20 CBGD C=CCNC(=S)NNC(=O)CCCNC(=O)OC 281243019 NRHNFPASVYFJDW-UHFFFAOYSA-N 274.346 -0.196 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCSC1 584930661 PTGKNNMWEPRSPX-UHFFFAOYSA-N 255.079 -0.348 50 20 CBGD CC(C)N(CCNC(=O)c1ccc(B(O)O)cc1)C1CC1 584943792 NUUPMNUZSCVAGJ-UHFFFAOYSA-N 290.172 -0.031 50 20 CBGD C[C@H](O)CCN(C)C(=O)c1ccc(B(O)O)c(F)c1 584957518 PFQLXBNWGSGDDP-QMMMGPOBSA-N 269.081 -0.652 50 20 CBGD COCC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584977076 WKALQXDMXNAXTN-LLVKDONJSA-N 277.129 -0.135 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC(O)(C2CC2)CC1 585007562 CESWMKLIZVEXMU-UHFFFAOYSA-N 289.140 -0.257 50 20 CBGD C[C@H](O)C[C@H](C)CNCc1ccccc1B(O)O 585024985 JBGHONZFKZSBEQ-QWRGUYRKSA-N 251.135 -0.137 50 20 CBGD CN1CCC[C@@H](NCc2cccc(B(O)O)c2)C1=O 585026322 LPEOCAVHCMDNDK-GFCCVEGCSA-N 262.118 -0.923 50 20 CBGD O=C(NCB(O)O)c1ccnc(N2CCCCC2)n1 585060227 BVPAWJQUYOBDPI-UHFFFAOYSA-N 264.094 -0.791 50 20 CBGD COc1ccccc1C(F)(F)C(=O)NCB(O)O 585062428 IPXBJURJTYUBFN-UHFFFAOYSA-N 259.017 -0.085 50 20 CBGD CN(CC(=O)NNC(=O)Cc1cccnc1)C(=O)C1CC1 733150979 SJVBPKGITJOVLJ-UHFFFAOYSA-N 290.323 -0.360 50 20 CBGD C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1nccn(C)c1=O 747938791 ZMTLNDNJTKTRAM-NXEZZACHSA-N 296.327 -0.193 50 20 CBGD CN(C)CC(=O)NNC(=O)C[C@@H]1CSCCS1 752623663 PQQMGWFHAKEIGA-MRVPVSSYSA-N 277.415 -0.066 50 20 CBGD O=C(NNC(=O)N1CCS(=O)(=O)CC1)C1CCCC1 753340162 QPMHUYHUETZKGQ-UHFFFAOYSA-N 289.357 -0.352 50 20 CBGD C[S@](=O)c1ccc(NC(=O)NNC(=O)CO)cc1F 756768949 BKSPSLUGSOXQIW-IBGZPJMESA-N 289.288 -0.292 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H](O)C1CCCCC1 768244822 NZFWVAAGTPYYSJ-VIFPVBQESA-N 258.318 -0.154 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1cccn(C)c1=O 775636544 TXRPRXRXNHDNEI-UHFFFAOYSA-N 267.289 -0.900 50 20 CBGD COc1ccc(NNC(=O)[C@H]2CN3CCCN2CC3)nc1 781530391 CPVCHYLEPOXLFJ-GFCCVEGCSA-N 291.355 -0.077 50 20 CBGD COC[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@H](C)O1 784374086 WMFLZYTXXNZLDL-KOLCDFICSA-N 285.344 -0.721 50 20 CBGD CC[C@H](C)CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 792316610 JXDIXRQQJCLHGV-JGVFFNPUSA-N 279.362 -0.492 50 20 CBGD CN1CCC[C@@H]1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 792854550 KMCXIEJPJFNLSX-WDEREUQCSA-N 289.401 -0.427 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)CCOCCO 800507116 LASWOXAOULVMIO-LLVKDONJSA-N 289.376 -0.491 50 20 CBGD C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)N1CCN(C)CC1 807380347 UTCXOTRDERADII-QWRGUYRKSA-N 296.371 -0.020 50 20 CBGD COCCN(C)NC(=O)CS(=O)(=O)C1CCCC1 808074963 FYCMRHZFNJUIES-UHFFFAOYSA-N 278.374 -0.047 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@H](CC(N)=O)C1 808773449 LSFMSEZROBOIDX-WDEREUQCSA-N 298.387 -0.234 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CCn1cnccc1=O 814255462 OYVCITZJVLEWCX-UHFFFAOYSA-N 289.295 -0.567 50 20 CBGD O=C(NCCCc1ccco1)NNC(=O)C(=O)NC1CC1 823651543 HLLWERVOSKWSRU-UHFFFAOYSA-N 294.311 -0.179 50 20 CBGD CCN(CCO)NC(=O)c1ccccc1-n1cnnn1 823841819 KVHLRISQSDUFGM-UHFFFAOYSA-N 276.300 -0.379 50 20 CBGD CCN(CCO)NC(=O)/C=C\c1cnc(OC)nc1 823873934 JFDHKXBJSUZLLO-PLNGDYQASA-N 266.301 -0.156 50 20 CBGD C#CCN1CCC(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1 843644737 CZWYTZRSRZIVHA-YPMHNXCESA-N 293.367 -0.096 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ncn(C)n1 843659272 XKVLSEFMPLCNBY-BQBZGAKWSA-N 253.262 -0.999 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ncc(F)cc2F)CC1 854378831 DMQZFKWDXXYSKM-UHFFFAOYSA-N 299.281 -0.038 50 20 CBGD O=C(NNc1ncccc1F)C1(n2cnnn2)CC1 854415353 HJIPEKHDJXXQBT-UHFFFAOYSA-N 263.236 -0.160 50 20 CBGD CCn1cc(CC(=O)NN(C)C(=S)NC)cn1 854921065 XKZJCKOEODALQK-UHFFFAOYSA-N 255.347 -0.087 50 20 CBGD O=C(NNc1ncccc1[N+](=O)[O-])C1(n2cnnn2)CC1 857151851 NJLFCTJAVBQVMU-UHFFFAOYSA-N 290.243 -0.391 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1CCN2CCCC[C@H]12 858190768 NWTQWCJXOHBBEW-GHMZBOCLSA-N 292.343 -0.020 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H]1CC[C@H](C(N)=O)O1 858777601 RXEJVOAEBZWMEW-SFYZADRCSA-N 272.305 -0.850 50 20 CBGD Cc1ccnn1CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 862095815 PPONYEYWPYEHTM-VHSXEESVSA-N 266.301 -0.236 50 20 CBGD O=C(CSC1CC1)NNC(=O)[C@H]1CCC(=O)N1 862458684 CRVUOLGHHQGFJU-SSDOTTSWSA-N 257.315 -0.692 50 20 CBGD O=C(Cc1ccc(O)c(F)c1)NNC(=O)[C@@H]1CCC(=O)N1 862462699 YRRZMRLCSVKIEE-VIFPVBQESA-N 295.270 -0.500 50 20 CBGD Cn1cc([C@@H]2C[C@H]2C(=O)NNC(=O)c2cn[nH]c2)cn1 862470075 YZUYWJNZQQFMPY-VHSXEESVSA-N 274.284 -0.292 50 20 CBGD C[C@@H]1CCCN1S(=O)(=O)NNC(=O)c1cn[nH]c1 863414474 XOHSSVCAFHTZBA-SSDOTTSWSA-N 273.318 -0.627 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CCCC1CC1 863466517 UOOUYLTVDILITC-UHFFFAOYSA-N 262.331 -0.241 50 20 CBGD Cc1cccc(O)c1C(=O)NNC(=O)CS(C)(=O)=O 863467716 IOIPLEULRLVJNG-UHFFFAOYSA-N 286.309 -0.494 50 20 CBGD CCOC(=O)C[C@H](C)NC(=O)c1cccc(B(O)O)c1 863879904 GXDCSLHCMQQNLY-VIFPVBQESA-N 279.101 -0.562 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCNC1=O)NC1CCCC1 865036665 GCSLGCNDFPLVQX-SECBINFHSA-N 268.317 -0.214 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=S)Nc2ccccn2)C1 874957004 WZZZEBYGJGKIJC-VIFPVBQESA-N 295.368 -0.270 50 20 CBGD C[C@H](O)CN(C)NC(=O)C(F)(F)C1(O)CCC1 910161372 YIDLOMJMMNQEEO-ZETCQYMHSA-N 252.261 -0.120 50 20 CBGD C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 912977559 JIEYQCOLMMSNIO-QXEWZRGKSA-N 281.312 -0.606 50 20 CBGD CC(C)C(=O)NNC(=O)[C@@]12CCC(=O)N1CCS2 913161442 LECFHTFHLNXNRZ-NSHDSACASA-N 271.342 -0.145 50 20 CBGD COc1ccccc1C(=O)NCC(=O)NNC(=O)C1CC1 913415821 QKEOGKKZSQKTOK-UHFFFAOYSA-N 291.307 -0.018 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)C1=CCCC1 913731501 KYZDKAXFVRLUHA-UHFFFAOYSA-N 251.286 -0.134 50 20 CBGD CC[C@H]1C[C@H](C(=O)NNC(=O)CN2CCCC2=O)CCO1 913731987 DAFBKFDIHVWOEC-MNOVXSKESA-N 297.355 -0.039 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 916108189 RDSGSPWIFIDOCO-UHFFFAOYSA-N 275.242 -0.370 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 919879503 HXBAJVWQGJUVFO-UHNVWZDZSA-N 282.222 -0.596 50 20 CBGD Cc1ccc(NNC(=O)NC[C@@H]2COCO2)nn1 923858091 ZPVLRJUUBUGQIX-MRVPVSSYSA-N 253.262 -0.216 50 20 CBGD CC(C)NC(=S)NNC(=O)CN1CCCCC1=O 1115987952 QMUIIAXLUPKFRI-UHFFFAOYSA-N 272.374 -0.097 50 20 CBGD CCc1cc(NC(=O)C(=O)NNC(=O)OC)n(C)n1 1116558053 ZCEPAPRTQNSHCU-UHFFFAOYSA-N 269.261 -0.692 50 20 CBGD CS(=O)(=O)Nc1ccc(C(=O)NNc2nc[nH]n2)cc1 1261245757 OKPURYONIRJXJL-UHFFFAOYSA-N 296.312 -0.067 50 20 CBGD COCCC[C@@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1261842276 SISLJZCOVRCSKP-RKDXNWHRSA-N 271.317 -0.525 50 20 CBGD NS(=O)(=O)c1ccc(C(=O)NNc2ncccn2)s1 1318303223 ZEULFSQMUIZPRU-UHFFFAOYSA-N 299.337 -0.058 50 20 CBGD NC(=O)c1cc(C(=O)NNC(=O)N2CCOCC2)co1 1320279369 SLZBSYVSHRVYTJ-UHFFFAOYSA-N 282.256 -0.935 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCc1cnccn1 1321053806 VHGCLTHNWNPOBV-UHFFFAOYSA-N 252.274 -0.673 50 20 CBGD O=C(Cn1cncn1)NNC(=O)NCC(F)(F)F 1322556031 UIFDXPLNOGABOA-UHFFFAOYSA-N 266.183 -0.829 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NCCn1cnc(C#N)n1 1323341523 XSPIDWMXPPPZTG-UHFFFAOYSA-N 279.304 -0.474 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 1326043807 XWCNMPVGMRZZAA-QMMMGPOBSA-N 290.341 -0.069 50 20 CBGD C[C@@H](O)c1cn(CC(=O)NNc2ccncn2)nn1 1329043116 BYRCOXCDTXJOFG-SSDOTTSWSA-N 263.261 -0.735 50 20 CBGD O=C(NNc1ncccn1)c1ccc2nnnn2c1 1340249207 LANFGYKTQHMGBZ-UHFFFAOYSA-N 256.229 -0.329 50 20 CBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)C1CCCC1 1347328236 WPAVLYLDPWEMAJ-CMPLNLGQSA-N 280.372 -0.288 50 20 CBGD Cc1cnc(C(=O)NNC(=O)C(=O)NC2CC2)c(C)c1 1351926647 HSIGGVPNEANSGI-UHFFFAOYSA-N 276.296 -0.262 50 20 CBGD CCN1CC[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1578217477 JTQNVBSWYBTRQS-SECBINFHSA-N 288.315 -0.201 50 20 CBGD COc1ccc(NNC(=O)[C@H]2CC(C(=O)O)=NO2)nc1 1594106517 XHFGHARBNJGUMS-MRVPVSSYSA-N 280.240 -0.237 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H]1CCC[C@H]1C(=O)O 1604860491 VQMCXUUKRICYKP-DJLDLDEBSA-N 271.317 -0.225 50 20 CBGD CN1CC[C@@H](C(=O)NNc2ccc(C(=O)O)cn2)C1=O 1610130112 XRHPZKFDZHAHPW-QMMMGPOBSA-N 278.268 -0.299 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(C(N)=O)s1 110760882 NPWHLZSESUWNIP-UHFFFAOYSA-N 293.308 -0.047 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)CCNC(N)=O)cc1 263758820 QYYFERPHFYHNJJ-UHFFFAOYSA-N 294.311 -0.420 50 20 CBGD CN1C[C@@H](NC(=O)NNC(=O)Cc2cccnc2)CC1=O 267716336 SPAKPHKLTYBUOJ-JTQLQIEISA-N 291.311 -0.815 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CNC(=O)c1cccc(O)c1 277866571 CIWNARZROAPQCH-UHFFFAOYSA-N 295.295 -0.960 50 20 CBGD O=C(NCCBr)c1cccc(B(O)O)c1 379917029 PTYUAZULKMGESY-UHFFFAOYSA-N 271.907 -0.509 50 20 CBGD CCO/C=C(/C#N)C(=O)NNC(=O)C(=O)NC(CC)CC 491045976 GDZKRKGHTLVKRE-HJWRWDBZSA-N 296.327 -0.117 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)N[C@H]2CCCN(O)C2=O)cn1 491130516 IYBLWIKSGGRFPD-UAWPZABVSA-N 289.295 -0.177 50 20 CBGD O=C(NC[C@@H]1CCC[C@H](O)C1)c1ccc(B(O)O)c(F)c1 584951458 QNQYMDNMYKANGJ-KOLCDFICSA-N 295.119 -0.214 50 20 CBGD O=C(NC[C@H](O)C1CC1)c1ccc(B(O)O)c(F)c1 584962147 JANLVVDDBRVCEJ-NSHDSACASA-N 267.065 -0.994 50 20 CBGD CC(C)(CCO)NC(=O)c1cccc(B(O)O)c1 584967878 OELRVFRFMYATDG-UHFFFAOYSA-N 251.091 -0.743 50 20 CBGD C[C@H](O)C[C@@H](C)NC(=O)c1cccc(B(O)O)c1 584972789 HDKJDQOGWSIXIZ-BDAKNGLRSA-N 251.091 -0.744 50 20 CBGD O=C(NCc1nc(C2CC2)n[nH]1)c1cccc(B(O)O)c1 584995132 JCEDWGUPTNGVOY-UHFFFAOYSA-N 286.100 -0.708 50 20 CBGD CNC(=O)[C@H]1CCCC[C@@H]1NCc1ccc(B(O)O)cc1 585030655 WXKGRKDJOCTEDW-KBPBESRZSA-N 290.172 -0.239 50 20 CBGD C[C@H](Cc1cnn(C)c1)NCc1ccc(B(O)O)cc1 585044706 QVWSMNANGMHIEM-LLVKDONJSA-N 273.145 -0.179 50 20 CBGD O=C1CCCN1CCNCc1cccc(B(O)O)c1 585045994 PAIPSUMIELIBRC-UHFFFAOYSA-N 262.118 -0.922 50 20 CBGD CS(=O)(=O)CCCCNCc1ccccc1B(O)O 585048652 UZQQVORQLLUZHP-UHFFFAOYSA-N 285.174 -0.719 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc2c(c1)OCCCO2 585053691 BOXLDJHIXQICQI-UHFFFAOYSA-N 287.102 -0.862 50 20 CBGD O=S(=O)(c1ccccc1)N1CC[C@@H](B(O)O)C1 585061412 XBIYBXVWNQGONA-SECBINFHSA-N 255.104 -0.076 50 20 CBGD NS(=O)(=O)C[C@H]1CCN(S(=O)(=O)CCl)C1 725490846 RRFTYIBHQJSMHG-LURJTMIESA-N 276.767 -0.877 50 20 CBGD Cc1nc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)cs1 728436786 SNVBKQMTNXWTQF-ZCFIWIBFSA-N 290.370 -0.161 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@]1(C)CCOC1 733651850 XCZTUEDVYYMFGW-NSHDSACASA-N 259.306 -0.220 50 20 CBGD O=C(NNC(=S)NC[C@@H]1CCOC1)N1CCOCC1 749691465 ZSBCMZOJXHHJTP-VIFPVBQESA-N 288.373 -0.556 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NOCC(C)C 750459871 HMHZQKCSCPPMBZ-SECBINFHSA-N 277.321 -0.044 50 20 CBGD CCc1nc(C(=O)NNC(=O)CO)nn1-c1ccccc1 753438521 FELROXLZYXXRJH-UHFFFAOYSA-N 289.295 -0.417 50 20 CBGD CN(C)c1cnc(C(=O)NNC(=O)Cc2cc[nH]n2)cn1 755264636 YTNDADNAFBWMTJ-UHFFFAOYSA-N 289.299 -0.731 50 20 CBGD O=C(NN=C1CCS(=O)CC1)N1CCOCC1 761811057 GHLSHTLHQUJJMV-UHFFFAOYSA-N 259.331 -0.073 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CCO[C@H](C)C1 770355404 NFTRPBGMZZDSBX-BDAKNGLRSA-N 259.306 -0.079 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)Cn1cc(C)cn1 772037405 CXNFLNMQFAIVTC-VIFPVBQESA-N 282.300 -0.319 50 20 CBGD COCCNC(=S)NNC(=O)[C@H]1CCCCO1 772220383 YFQMKIJRQBKYSZ-MRVPVSSYSA-N 261.347 -0.303 50 20 CBGD COc1cc(S(=O)(=O)NNC(C)=O)ccc1[N+](=O)[O-] 775248282 VGJZHMDQDCDZII-UHFFFAOYSA-N 289.269 -0.067 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H](C)Sc1nncn1C 781063966 SBYIBBYKKBILTO-ZETCQYMHSA-N 286.361 -0.012 50 20 CBGD O=C1CC[C@@H](C(=O)NNc2ncncc2Cl)N1 781819065 WWKASUUTLOLQKG-LURJTMIESA-N 255.665 -0.148 50 20 CBGD COCC(=O)NN[C@H](Cc1ccc(F)cc1)C(N)=O 784070086 PVWPBLMIJDIVTM-SNVBAGLBSA-N 269.276 -0.511 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1ccccn1)[C@H](C)S(C)(=O)=O 788262760 YOHBKTJKPJOJHM-BDAKNGLRSA-N 299.352 -0.088 50 20 CBGD CS(=O)(=O)C1(C(=O)NNC(=O)C2CC2)CCC1 792788566 BFHJLKBPZHNDNZ-UHFFFAOYSA-N 260.315 -0.489 50 20 CBGD Cc1c[nH]nc1C(=O)NNC(=O)N1CCOCC1 799413441 RIHPDROFCWYJHW-UHFFFAOYSA-N 253.262 -0.595 50 20 CBGD CN1CCN(C)[C@@H](CNC(=O)NNc2ncncc2F)C1 814299916 DPMDMWRNGPGZQN-VIFPVBQESA-N 297.338 -0.512 50 20 CBGD O=C(CCN1CCCS1(=O)=O)NNC(=O)CC1CC1 819114885 UTCXCLLAYNXPFB-UHFFFAOYSA-N 289.357 -0.641 50 20 CBGD CNC(=O)NNC(=O)c1cc(-c2nn[nH]n2)cs1 821634210 XFRFMXRHBYQMBC-UHFFFAOYSA-N 267.274 -0.498 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1CCCc2nn[nH]c21 823816148 QCADFVXQDJCVJG-MRVPVSSYSA-N 296.331 -0.409 50 20 CBGD CC1=C(C(=O)NN(C)[C@H](C)CO)[C@H](C)n2ncnc2N1C 823934285 FERAIIYXFLZYGQ-SCZZXKLOSA-N 294.359 -0.093 50 20 CBGD CC(C)CC(=O)NCCC(=O)NN(C)[C@@H](C)CO 823952649 SWSQMOSTZOCPOS-JTQLQIEISA-N 259.350 -0.117 50 20 CBGD O=C(COC(F)(F)F)NNC(=O)c1cn[nH]c1 827014934 ABJQUKWEFVOGQB-UHFFFAOYSA-N 252.152 -0.293 50 20 CBGD O=C(O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)N2CCOCC2)C1 833185059 VHPJWRZZJZLXDK-NXEZZACHSA-N 299.327 -0.050 50 20 CBGD CC1CCN(C(=O)C(=O)NNC(=O)[C@H]2CCCCO2)CC1 833242895 PUASOBICZPPQSA-LLVKDONJSA-N 297.355 -0.039 50 20 CBGD Cn1c(S)nc2cc(C(=O)NN)ccc2c1=O 843042217 HKLODICEAITNRZ-UHFFFAOYSA-N 250.283 -0.174 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)NCC1CC1 843972589 UXUCBWOFSGOWHJ-VXNVDRBHSA-N 269.301 -0.915 50 20 CBGD CN(C)CCn1cc(NC(=O)NNC(=O)CCCN)cn1 846314451 RREQSZNDMVTBJE-UHFFFAOYSA-N 297.363 -0.664 50 20 CBGD COC(=O)[C@H](O)C1CCN(S(=O)(=O)CCl)CC1 849384945 YGFHMVJEEINNBM-MRVPVSSYSA-N 285.749 -0.242 50 20 CBGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cnc[nH]1 853292038 NVCPQAJQDJZELG-MRVPVSSYSA-N 285.329 -0.380 50 20 CBGD Nc1nc(C2CC2)ncc1C(=O)NNC(=O)c1cc[nH]n1 855354969 OTADHTZXIHOYCD-UHFFFAOYSA-N 287.283 -0.266 50 20 CBGD O=C(CN1CCCCCCC1=O)NNC(=O)c1cc[nH]n1 855359043 CVRURERQCAKINU-UHFFFAOYSA-N 293.327 -0.037 50 20 CBGD O=C(CCCNC(=O)C1CC1)NNC(=O)c1cc[nH]n1 855359354 ONXFFDDZLSQVJT-UHFFFAOYSA-N 279.300 -0.523 50 20 CBGD C[C@H](C(=O)NNC(=O)c1cccc(F)n1)S(C)(=O)=O 856422334 SURKDTPEESQIIU-ZCFIWIBFSA-N 289.288 -0.585 50 20 CBGD NC(=O)NC1(C(=O)NNC(=O)c2cccc(F)n2)CC1 856423709 YWUUGNXBTNWXPF-UHFFFAOYSA-N 281.247 -0.817 50 20 CBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)c1cccn1C 858165186 PFWGRKSKIMJNBF-JTQLQIEISA-N 266.301 -0.443 50 20 CBGD C#C[C@@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(C)(C)C 858463209 WMWKINHKNGVXIS-DTWKUNHWSA-N 280.328 -0.357 50 20 CBGD COCC1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCCC1 862460687 KBMHULOQNWNELV-SECBINFHSA-N 283.328 -0.381 50 20 CBGD CO[C@H](CC(C)C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862462507 XIWVKYXHCUVQTQ-DTWKUNHWSA-N 271.317 -0.527 50 20 CBGD O=C1CC[C@H](C(=O)NN=C2COc3cc(O)ccc32)N1 863145881 QSPWGNFKGTXNTO-SECBINFHSA-N 275.264 -0.117 50 20 CBGD CC(C)(C)C(=O)NNC(=O)c1ccc(B(O)O)cc1 863869724 RGLBYUXOVSBWNF-UHFFFAOYSA-N 264.090 -0.827 50 20 CBGD C[C@@H](NC(=O)c1cccc(B(O)O)c1)[C@@H](O)C(F)(F)F 863886112 UQEVIPXRKDGUEC-HZGVNTEJSA-N 291.034 -0.592 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc2cccn2cn1 894135194 SMOZHNOHMCQMJM-UHFFFAOYSA-N 261.285 -0.343 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H](c1cncn1C)N(C)C 910150380 QSVTVCWYSANCJW-GXSJLCMTSA-N 269.349 -0.633 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cnc2c(cnn2C)c1 910162355 FINISNWHDUCDJQ-QMMMGPOBSA-N 263.301 -0.074 50 20 CBGD CC[C@H](O)[C@H](C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 911503452 UNBCEDJQYOYHII-JXUBOQSCSA-N 258.318 -0.034 50 20 CBGD COCC(=O)NCCC(=O)NNC(=O)OC(C)(C)C 1116049597 CKVPHIARSPYPBY-UHFFFAOYSA-N 275.305 -0.305 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cccnc1C 1254905040 JWVASLFFYFBWIX-UHFFFAOYSA-N 266.257 -0.878 50 20 CBGD NC(=O)Cc1occc1C(=O)NNC(=O)NC1CC1 1321832480 DIACBKMOHXNLLF-UHFFFAOYSA-N 266.257 -0.586 50 20 CBGD NC(=O)C(=O)NN=Cc1ccc(Br)cn1 1322832102 SMKXQUNZHATCGT-UHFFFAOYSA-N 271.074 -0.221 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)N[C@]2(C(N)=O)CCOC2)cn1 1327126931 HXEPVURBXDIRGJ-JTMRULEUSA-N 289.295 -0.912 50 20 CBGD O=C(C[C@H]1CCCOC1)NNC(=O)[C@H]1CCC(=O)N1 1331692238 VWNQUZYMHRWBAO-RKDXNWHRSA-N 269.301 -0.771 50 20 CBGD Cc1cnccc1CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331803469 OCPPIGOFGGPDAB-JTQLQIEISA-N 276.296 -0.641 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)CN2CCCC2=O)C1 1332273225 HMXRDJIBMKQBCR-MRVPVSSYSA-N 267.285 -0.875 50 20 CBGD O=C(CCn1cnccc1=O)NNC(=O)CC1CC1 1347748034 HLQFYPVFKWPBCO-UHFFFAOYSA-N 264.285 -0.419 50 20 CBGD O=C(NNC(=O)[C@H]1NCCc2occc21)c1cn[nH]c1 1580736184 NOEJORKLZAMJQA-JTQLQIEISA-N 275.268 -0.349 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)C(=O)O 1589425107 XJUAPFZJJYPIHH-PHDIDXHHSA-N 260.246 -0.804 50 20 CBGD Cn1nncc1NNC(=O)c1cc(C(=O)O)ccn1 1601044644 JALUTCJLBRFTFE-UHFFFAOYSA-N 262.229 -0.335 50 20 CBGD O=C(CO)NNC(=O)CCc1ccc(C(=O)O)cc1 1601330101 KXMOLKXAAVBCLK-UHFFFAOYSA-N 266.253 -0.543 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CO[C@@H](CCC(=O)O)C1 1603739719 UIWAEEMSUCJXSE-ZJUUUORDSA-N 274.317 -0.398 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CCC1)[C@H]1C[C@H]2CC[C@H]1O2 1605814497 DBDHEZDYCXWAEL-HRDYMLBCSA-N 282.296 -0.044 50 20 CBGD O=C(O)CC1(C(=O)NNC(=O)NCC2CC2)CCOCC1 1606071523 FYPUSMWAVQGQAM-UHFFFAOYSA-N 299.327 -0.002 50 20 CBGD O=C(Cn1ccccc1=O)NNC(=O)NCC1CC1 45459920 SNGJCCHRSUICAF-UHFFFAOYSA-N 264.285 -0.411 50 20 CBGD CCOCCCC(=O)NNC(=O)C(=O)NC1CC1 47059706 SDFJDFRXKUNXGC-UHFFFAOYSA-N 257.290 -0.771 50 20 CBGD COc1cc(C(=O)NNC(=O)c2c[nH]nc2C)on1 124970812 LGYRDJMYKCYEDM-UHFFFAOYSA-N 265.229 -0.210 50 20 CBGD Cc1nn(C)c(C)c1-c1cc(C(=O)NNC(=O)CO)[nH]n1 182751574 XBGZCBQIBABNBG-UHFFFAOYSA-N 292.299 -0.820 50 20 CBGD C[C@@H](Oc1cccnc1)C(=O)NNC(=O)N1CCOCC1 265607314 WAUVBIQGNWRBET-SNVBAGLBSA-N 294.311 -0.078 50 20 CBGD CNC(=O)NNC(=O)[C@@H](C)n1nnnc1C(C)(C)C 272257630 PXJUGXNDAZAULH-ZCFIWIBFSA-N 269.309 -0.508 50 20 CBGD CSCC[C@@H](O)C(=O)NNC(=O)c1cccn1C 276556292 GVFBUMBGIOQXND-SECBINFHSA-N 271.342 -0.100 50 20 CBGD CC[C@@H](C(=O)NNC(=O)N1CCOCC1)C(=O)OC 276627669 PHASEIOFNWTQID-QMMMGPOBSA-N 273.289 -0.741 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2COC(=O)N2)s1 282981674 JENKGPQVJJFSET-ZCFIWIBFSA-N 269.282 -0.074 50 20 CBGD COC(=O)N(C)NS(=O)(=O)c1ncn(C)c1Cl 288923525 MCSQJKTVNFHHHQ-UHFFFAOYSA-N 282.709 -0.035 50 20 CBGD C#CCO[C@H](C)C(=O)NNc1nccc(OC)n1 294453137 RRPCQCJFXBTTPX-MRVPVSSYSA-N 250.258 -0.033 50 20 CBGD CN(C)c1cc(C(=O)NNC(=O)N2CCOCC2)ccn1 299405370 XJDIFODTDHWDQJ-UHFFFAOYSA-N 293.327 -0.166 50 20 CBGD O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NNc1ncccn1 369047705 ONQZJCFTJNTQCT-WDEREUQCSA-N 292.343 -0.034 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1CC(=O)N(C2CC2)C1 405005824 PEKYSNPTGYJIIP-VIFPVBQESA-N 288.112 -0.684 50 20 CBGD CCS(=O)(=O)NCC(=O)NNC(=O)OC(C)(C)C 494158685 FBMAYTUBXIRTIQ-UHFFFAOYSA-N 281.334 -0.518 50 20 CBGD CCOC(=O)NNC(=O)Nc1cnc(OC)c(C(N)=O)c1 494554092 IXMRUXKVRQBANQ-UHFFFAOYSA-N 297.271 -0.028 50 20 CBGD CC[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)CCO1 584926860 DWQUYPFYRSDSMY-SNVBAGLBSA-N 281.092 -0.244 50 20 CBGD CCN(CCCO)C(=O)c1ccc(B(O)O)c(F)c1 584967217 RYVBPJKAMSPCNW-UHFFFAOYSA-N 269.081 -0.650 50 20 CBGD CC[C@H](O)[C@@H](CC)NC(=O)c1cccc(B(O)O)c1 584996657 NRGIYFNVRAKGOD-NEPJUHHUSA-N 265.118 -0.354 50 20 CBGD CC(C)N1CC[C@H](N(C)C(=O)c2cccc(B(O)O)c2)C1 584998671 GNCUFDFPCXFAAG-AWEZNQCLSA-N 290.172 -0.079 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H](F)C1 585004959 SRWWLPVBHHXRJT-LLVKDONJSA-N 251.066 -0.060 50 20 CBGD CCN1CC[C@H](CNCc2cccc(B(O)O)c2)C1 585017043 JFWNRFDZQXIDHK-CYBMUJFWSA-N 262.162 -0.202 50 20 CBGD OB(O)c1ccc(CNCc2nccn2C(F)F)o1 585020030 VMVJIOYFFAZXLV-UHFFFAOYSA-N 271.032 -0.159 50 20 CBGD Cc1ncc(CNCc2ccc(B(O)O)o2)c(O)n1 585035276 QVCONSCLEVBMKJ-UHFFFAOYSA-N 263.062 -0.947 50 20 CBGD Cn1c(S(=O)(=O)N2CC[C@H](B(O)O)C2)cnc1Cl 585058222 BUDRVKDERHGNBX-LURJTMIESA-N 293.541 -0.689 50 20 CBGD O=C(CN1CCC[C@@H](C2OCCO2)C1)NNC(=O)C1CC1 733194741 LILDVTDSOWYKOC-LLVKDONJSA-N 297.355 -0.371 50 20 CBGD COc1ncc(C(=O)NNC(=O)NC(C)C)cn1 733953463 LMRUHIAPGXCCPN-UHFFFAOYSA-N 253.262 -0.162 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C[C@@H]1CCOC1 739725467 YGXMZMQWEHAJRQ-QMMMGPOBSA-N 252.274 -0.094 50 20 CBGD CCO[C@H]1C[C@@H]1C(=O)NNC(=O)N1CCOCC1 745985932 DCTAFNYCIRJKMP-IUCAKERBSA-N 257.290 -0.516 50 20 CBGD CC(C)[C@H]1C[C@@H](CC(=O)NNC(=O)CO)CCO1 753438865 SLDHNWWXWUEQQE-VHSXEESVSA-N 258.318 -0.033 50 20 CBGD O=C(CO)NNC(=O)c1cccc(Br)c1O 753444378 MIPHRAZOMLGGAJ-UHFFFAOYSA-N 289.085 -0.092 50 20 CBGD CC(C)OCCC(=O)NNc1ccc(C(N)=O)nn1 757391414 GDJFJMPHMLXQQL-UHFFFAOYSA-N 267.289 -0.166 50 20 CBGD COc1ccnc(NNC(=O)c2coc(C(N)=O)c2)n1 759458270 WPBKSQXLNYYSDG-UHFFFAOYSA-N 277.240 -0.066 50 20 CBGD COCC(=O)NNC(=O)C(=O)N1CCc2c(F)cccc21 764299719 LRAJNRKGGBVADZ-UHFFFAOYSA-N 295.270 -0.491 50 20 CBGD CCNC(=O)NNS(=O)(=O)N1CC[C@H](C)C1 777925624 FEQFTMKVNVCXNB-ZETCQYMHSA-N 250.324 -0.603 50 20 CBGD Cc1cccc(C(=O)NNC(=O)c2[nH]nnc2C)n1 794077312 UYHBHIJNZFDSNB-UHFFFAOYSA-N 260.257 -0.109 50 20 CBGD CC[C@H](C)[C@H](NC(C)=O)C(=O)NNC(=O)Cc1cc[nH]n1 796209307 CHGPUXFARVTVAW-UFBFGSQYSA-N 295.343 -0.350 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNC(=O)Nc1ccccc1 801986659 FFWHWZWRQWCCKU-ZETCQYMHSA-N 265.273 -0.104 50 20 CBGD C[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)n1cccn1 807380277 FOPVEBSWFCVKOV-JTQLQIEISA-N 280.332 -0.568 50 20 CBGD O=C(NN=Cc1ccccc1-n1cncn1)C(=O)NC1CC1 814778293 YSNBMGWHCMBROQ-UHFFFAOYSA-N 298.306 -0.004 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](F)C(F)(F)F 814798373 INNLZDGOVICPQJ-SCSAIBSYSA-N 273.186 -0.441 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1CCCOC1 818397874 IASJLQCNIWUVPL-VIFPVBQESA-N 269.301 -0.817 50 20 CBGD CN(C)CC(=O)NN=Cc1cc(-c2nn[nH]n2)cs1 821583035 GXCCBSYGJMJLML-UHFFFAOYSA-N 279.329 -0.060 50 20 CBGD C[C@H](NC(=O)C(C)(C)C)C(=O)NN(C)[C@H](C)CO 823977559 ZSNKBLSLICMARH-BDAKNGLRSA-N 259.350 -0.119 50 20 CBGD CNC(=O)NCC(=O)NNc1ccc(-c2nn[nH]n2)cc1 826068212 OWJXVDRAICACJI-UHFFFAOYSA-N 290.287 -0.761 50 20 CBGD CCOC(=O)[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 834854183 ZSPXYFGQSZAFAJ-LLVKDONJSA-N 291.112 -0.608 50 20 CBGD C[C@@H](N)[C@@H]1CCCCN1CC(=O)NNC(=O)C1CC1 843346432 OEOAYZKQIZCNLS-KOLCDFICSA-N 268.361 -0.255 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H](O)c1ccccn1 843970337 DUVVKODDADGTGC-QXEWZRGKSA-N 279.296 -0.313 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)C(N)=O 843970682 JLRPEHNDAJPUTC-RNFRBKRXSA-N 257.290 -0.930 50 20 CBGD CC(C)C(=O)NNC(=O)CN(C[C@H](C)O)C1CC1 847107795 VRGGPIITGFBFEC-VIFPVBQESA-N 257.334 -0.365 50 20 CBGD COC(=O)NNC(=O)CC1CCN(S(C)(=O)=O)CC1 848366978 ACCNLHGSPAPZST-UHFFFAOYSA-N 293.345 -0.565 50 20 CBGD NC[C@@H]1CCN(S(=O)(=O)CBr)C1 850582716 UMBKRIIIMVVJBQ-LURJTMIESA-N 257.153 -0.051 50 20 CBGD COc1ccc(NNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)nc1 861176164 ZCEPITGANSWJIR-BDAKNGLRSA-N 280.284 -0.434 50 20 CBGD C[C@@H](NNC(=O)Cn1ncn(C)c1=O)C(F)(F)F 862315270 BHNSLUDZDXFNDE-RXMQYKEDSA-N 267.211 -0.847 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(Cl)cn2)N1 862455819 RKJUYWLWUDLALH-QMMMGPOBSA-N 282.687 -0.225 50 20 CBGD C[C@H](Cc1cnn(C)c1)C(=O)NNC(=O)c1cn[nH]c1 862469309 GGVBYIHGJFNBDT-MRVPVSSYSA-N 276.300 -0.217 50 20 CBGD CC(=O)NCC(=O)NNCC(F)(F)C(F)(F)F 863090128 YVALADWJEMWABG-UHFFFAOYSA-N 263.166 -0.059 50 20 CBGD COCCOCC(=O)NNC(=O)c1ncc2n1CCCC2 869915800 QADILWCCNFODIJ-UHFFFAOYSA-N 296.327 -0.357 50 20 CBGD C[C@@H](NCc1ccccc1B(O)O)c1nnnn1C1CC1 877473517 IMNGFBVXEZVYMU-SECBINFHSA-N 287.132 -0.461 50 20 CBGD C[C@H]1C(=O)N(C)[C@H](C)[C@H](C)N1CC(=O)NNC(=O)C1CC1 878751743 BXBYCNIERABPGX-UTLUCORTSA-N 296.371 -0.517 50 20 CBGD O=C(NNC(=O)C1CCOCC1)c1cnn2ncccc12 883068248 NAJOFZBBJFYXGI-UHFFFAOYSA-N 289.295 -0.083 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H]1NC(=O)O[C@@H]1C 887148126 OWKKWVREDPDHIR-VXNVDRBHSA-N 253.258 -0.566 50 20 CBGD CS(=O)(=O)N1CC(C(=O)NNC(=O)c2ccccc2)C1 899916643 XYWLLPUCYQWWBP-UHFFFAOYSA-N 297.336 -0.661 50 20 CBGD CC1=C(C)C(=O)N(CCC(=O)NNC(=O)C2CC2)C1=O 899937667 RLDNYRMSWODXEL-UHFFFAOYSA-N 279.296 -0.361 50 20 CBGD C=CC(=O)N(CC)CC(=O)NNc1nccc(OC)n1 900158396 PIBOPTHTFNUAAP-UHFFFAOYSA-N 279.300 -0.037 50 20 CBGD Cc1cc(O)cc(=O)n1CCC(=O)NN(C)C[C@H](C)O 910167348 VNZXUPDLVBFEIT-JTQLQIEISA-N 283.328 -0.404 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)OCC(F)(F)F)C1=O 912597544 VNVVPTOXEDHFFV-RXMQYKEDSA-N 299.205 -0.837 50 20 CBGD C/C=C/C=C\C(=O)NNC(=O)CN1CCCC1=O 913730535 ZHFVADFIFYNIJM-ZPYFUIHZSA-N 251.286 -0.112 50 20 CBGD CCNC(=O)NNC(=O)CCOC[C@H]1CCCO1 920858461 NKPOZHAHMPRYNX-SECBINFHSA-N 259.306 -0.078 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 920858490 SLQWRVUMZCRMQZ-QMMMGPOBSA-N 270.333 -0.016 50 20 CBGD CN(C)C(=O)CNC(=S)NNC(=O)Cc1ccncc1 1116191004 CITRUVHRAVAYAF-UHFFFAOYSA-N 295.368 -0.792 50 20 CBGD Cc1cc(NC(=O)NNC(=O)CCO)nn1CCC#N 1116636102 SCSAHFXXGHEHIS-UHFFFAOYSA-N 280.288 -0.360 50 20 CBGD Cc1cccnc1NNC(=O)CN1CCC(=O)NC1=O 1116766617 NNOIUJRHUZAMCL-UHFFFAOYSA-N 277.284 -0.225 50 20 CBGD CO[C@@H]1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C[C@H]1C 1261791273 LJSSYODNFIEUKB-OPRDCNLKSA-N 298.343 -0.637 50 20 CBGD CN(C)C(=O)N1CCC(C(=O)NN(C)C(N)=O)CC1 1319729383 PFBWAWOVEWDWRU-UHFFFAOYSA-N 271.321 -0.578 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)c1cccc(O)c1 1320898431 CXQXPGQVKLLIKL-ZETCQYMHSA-N 281.268 -0.043 50 20 CBGD CCCNC(=S)NNC(=O)[C@H]1CCS(=O)(=O)C1 1321414466 ADORFMJNMMDYQE-ZETCQYMHSA-N 279.387 -0.674 50 20 CBGD CCO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)C(=O)OC 1324741556 ZDDWZHUTAANDTP-RKDXNWHRSA-N 287.316 -0.163 50 20 CBGD NS(=O)(=O)CCCCCC(=O)NNc1ncccn1 1326448447 SHAFNVZMNGYLSS-UHFFFAOYSA-N 287.345 -0.231 50 20 CBGD O=C(NCCOCCF)NNC(=O)c1ncccn1 1327584501 WPKQHUMMPALMMK-UHFFFAOYSA-N 271.252 -0.593 50 20 CBGD CN(C)C(=O)NNC(=O)c1ncn(C(C)(C)C)n1 1330124241 VUSPREPHBUAWAO-UHFFFAOYSA-N 254.294 -0.051 50 20 CBGD Cc1nc(C)c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)o1 1330547277 DWEFMIIGJZGBOQ-SSDOTTSWSA-N 266.257 -0.669 50 20 CBGD CC[C@](C)(C#N)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1335329466 JCQRKSQSPASGCA-RDDDGLTNSA-N 252.274 -0.648 50 20 CBGD CS(=O)(=O)CCCC(=O)NNC(=O)NCC1CC1 1338729146 ILSDVIVUTQNWLI-UHFFFAOYSA-N 277.346 -0.448 50 20 CBGD CCOC(=O)[C@H](Cc1ccccc1)NNC(=O)C(=O)OC 1343291428 DKIUSLMVPRDBOE-NSHDSACASA-N 294.307 -0.045 50 20 CBGD Cn1cc(C(=O)NNC(=O)C2CC2)c(=O)c2cnn(C)c21 1344128852 BSHIFCSJTZRQAV-UHFFFAOYSA-N 289.295 -0.557 50 20 CBGD N#CSCCCNC(=O)Cn1cnc(C#N)n1 1346853875 QIZUFAZKSDHOQV-UHFFFAOYSA-N 250.287 -0.130 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@H](C)c1cnn(C)c1 1348740324 AKLFMQDZIFIBKL-JTQLQIEISA-N 298.343 -0.276 50 20 CBGD CN(C[C@@H]1CCCN1C)C(=O)NNC(=O)c1cccnn1 1353042898 GGZZVSSSJOYGQX-JTQLQIEISA-N 292.343 -0.143 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1NCc2n[nH]cc21 1576903063 FISRUXSDSKPERW-PJKMHFRUSA-N 279.300 -0.874 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H]1NCc2n[nH]cc21 1577460644 CIZQCGWNRGEXJQ-SECBINFHSA-N 266.305 -0.316 50 20 CBGD CO[C@](C)(C(=O)O)C(=O)NNC(=O)[C@@H]1CCCCO1 1593927264 VVAFARWBDRYDBA-CPCISQLKSA-N 274.273 -0.807 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cc(C(=O)O)nn2C)n[nH]1 1594281124 RXLXMVQLBHXNHE-UHFFFAOYSA-N 292.255 -0.775 50 20 CBGD O=C(O)CC1(CC(=O)NNC(=O)CO)CCCC1 1601913584 OGMFROBMMAYMFS-UHFFFAOYSA-N 258.274 -0.449 50 20 CBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)Cc1cc[nH]n1 1604877836 CQQARHJBUBQDIK-SSDOTTSWSA-N 254.246 -0.790 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)CCCC(=O)O)O1 1607463809 SUVAUSQUOPZMIA-YUMQZZPRSA-N 258.274 -0.044 50 20 CBGD O=C(NNC(=O)[C@H]1CCCO1)c1ccc(C(=O)O)nc1 1610699979 JBNQRWFPXVWVSW-SECBINFHSA-N 279.252 -0.280 50 20 CBGD COCCCNC(=O)NN=C1CCN(C(N)=O)CC1 64923293 FZBQQEXTUJZVKF-UHFFFAOYSA-N 271.321 -0.147 50 20 CBGD Cn1cccc1C(=O)NNS(=O)(=O)N1CCCCC1 97593998 XWCIELQSXJKHJU-UHFFFAOYSA-N 286.357 -0.010 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1C[C@@H]1C1CC1 177654971 HFNICQYDNDOOMQ-RKDXNWHRSA-N 253.302 -0.296 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)CO)cc1C 180952826 SRGQZOWNBVCSKB-UHFFFAOYSA-N 252.270 -0.178 50 20 CBGD O=S(=O)(CCCCCl)NC[C@H]1CN2CCN1CC2 187553240 WHHUMUPOAMGYDA-NSHDSACASA-N 295.836 -0.075 50 20 CBGD O=C(CN1CCCC1=O)NNc1nc2ccccn2n1 191888874 LEYKKWHWKGZUHU-UHFFFAOYSA-N 274.284 -0.205 50 20 CBGD CC(=O)NNC(=O)C(=O)N1C[C@@H](C)Oc2ccccc21 274027429 GKPMNSBEVJRSRF-MRVPVSSYSA-N 277.280 -0.032 50 20 CBGD CCNC(=O)N(C)NC(=O)CC(=O)NCC(F)(F)F 274586633 ZRLFIGKJPCOTCL-UHFFFAOYSA-N 284.238 -0.253 50 20 CBGD CC(=O)N[C@H](CC1CCC1)C(=O)NNC(=O)N(C)C 278389795 AMUYBTMUTNSOTG-SNVBAGLBSA-N 270.333 -0.016 50 20 CBGD CCOCCN(CC)C(=O)c1ccc(B(O)O)cc1 584944169 OMQXHNQWBFAUHE-UHFFFAOYSA-N 265.118 -0.135 50 20 CBGD COC[C@H](NC(=O)c1ccc(B(O)O)cc1)C1CC1 584964906 NKBCUKPJEZLLAG-LBPRGKRZSA-N 263.102 -0.479 50 20 CBGD CC(C)[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)CCO1 584972339 UFPGKCFWSYMRPC-ZDUSSCGKSA-N 277.129 -0.137 50 20 CBGD C[C@@H](O)CCCNC(=O)c1ccc(B(O)O)cc1 584983495 OMNFEPDAEJSYAZ-SECBINFHSA-N 251.091 -0.743 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)o1)[C@@H](C)N1CCOCC1 585023838 MKVSQOVREJZTMV-GHMZBOCLSA-N 282.149 -0.842 50 20 CBGD CCNC(=O)C1(CNCc2cccc(B(O)O)c2)CCC1 585037724 HWTBQOVXRIIBEI-UHFFFAOYSA-N 290.172 -0.238 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc(OC(F)(F)F)cc1 585054017 GDTVPCJVCGEGOY-UHFFFAOYSA-N 299.035 -0.125 50 20 CBGD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCB(O)O)c1C 585054367 KWMYSRHDMRCLSP-UHFFFAOYSA-N 288.090 -0.498 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc2onc(Cl)c2c1 585057377 RZLHXOANIRFFPA-UHFFFAOYSA-N 290.493 -0.229 50 20 CBGD O=C([C@H]1COc2ccccc2O1)N1CC[C@@H](B(O)O)C1 585071160 NRJLTVHQAUKKPF-BXKDBHETSA-N 277.085 -0.098 50 20 CBGD CC(=O)NCC(=O)NNC(=O)c1c(C)nc2ccccn12 725909585 QUXSATUDTNUXPH-UHFFFAOYSA-N 289.295 -0.460 50 20 CBGD CCCNC(=O)NNC(=S)NCCS(C)(=O)=O 729154710 DTJJXOAVVGDRKX-UHFFFAOYSA-N 282.391 -0.881 50 20 CBGD C[C@@H](C(=O)NNC(=O)NCC1CC1)n1cncn1 729920621 NSPVMVGJCICKMG-ZETCQYMHSA-N 252.278 -0.421 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCCN(C(=O)O)C1 737160894 ANIARMJSCHCNHY-MRVPVSSYSA-N 288.304 -0.504 50 20 CBGD Cc1cncc(C(=O)NNC(=O)C(=O)N2CCCC2)c1 742599063 CWCRZGNXVLCNJK-UHFFFAOYSA-N 276.296 -0.227 50 20 CBGD C[C@@H]1OCCC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 747754367 XAYXRFDAIJVQHQ-JGVFFNPUSA-N 275.330 -0.363 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)Sc1ncc(CO)n1C 750005328 NJQDJCQVPSMDHC-ZETCQYMHSA-N 286.357 -0.050 50 20 CBGD C[C@@H]1CN(C)CC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1 752163797 DQFCJBNOYFUERV-BDAKNGLRSA-N 288.373 -0.590 50 20 CBGD NC(=O)C(=O)NN=Cc1cccc(-n2cccn2)c1 760226286 SEGZQUAKSCJPDM-UHFFFAOYSA-N 257.253 -0.192 50 20 CBGD COc1ccc(NNC(=O)Cn2cnnn2)c([N+](=O)[O-])c1 768578465 GGVPJXGKRVPODK-UHFFFAOYSA-N 293.243 -0.267 50 20 CBGD CC(C)C(=O)NNC(=O)c1cccn2c(O)nnc12 770467301 YNXQWICEABXQNP-UHFFFAOYSA-N 263.257 -0.148 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccc2c(c1)C(=O)NC2=O 770548626 HYLCPDBICGGQEY-UHFFFAOYSA-N 290.279 -0.124 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)cn1 779947497 JDCJPDCYWQRPTG-OPRDCNLKSA-N 264.285 -0.394 50 20 CBGD CNC(=O)NCC(=O)NNc1nc2ccccn2n1 791257890 PDNGPPDTXJJHKT-UHFFFAOYSA-N 263.261 -0.899 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccccc1-n1ccnn1 794858968 ZJELKCHFCVHPBI-UHFFFAOYSA-N 272.268 -0.407 50 20 CBGD CC(=O)OC(C)(C)C(=O)NNc1ccc(C(N)=O)nn1 807045675 AHLYWGCLXCDXRA-UHFFFAOYSA-N 281.272 -0.640 50 20 CBGD Cn1nncc1NNC(=O)Cn1c(=O)cnc2ccccc21 816770433 XMQWEIYWYVSUEC-UHFFFAOYSA-N 299.294 -0.332 50 20 CBGD O=C1C[C@@H](NS(=O)(=O)CCl)CN1C1CC1 830783046 UCDXIDMPUPGKRR-ZCFIWIBFSA-N 252.723 -0.135 50 20 CBGD O=C(NN=c1cc[nH]cc1Cl)C1=NN2CCCN=C2N1 832242792 KNTGSMWWDVPGDI-UHFFFAOYSA-N 293.718 -0.422 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1CCN(C)CC1 843974788 DDDWXJOBRVFSKR-ONGXEEELSA-N 269.345 -0.099 50 20 CBGD O=C(NNC(=O)[C@H]1CCCS1(=O)=O)c1cccnc1 847282851 CAMIUSBZCLBAOI-SECBINFHSA-N 283.309 -0.580 50 20 CBGD CC(Cn1cncn1)=NNC(=O)CN1CCCC1=O 853278557 GCDPXRPRXBEVIF-UHFFFAOYSA-N 264.289 -0.607 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=O)Cn1nc(C)cc1C 854233436 ZUBVMIVLKVANQB-SNVBAGLBSA-N 284.316 -0.691 50 20 CBGD CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N2)c1 854263496 IJROVXIMUJIHRQ-JTQLQIEISA-N 276.296 -0.598 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccnc(C(=O)OC)c1 854924583 LEOGGMCCUFHBMH-UHFFFAOYSA-N 282.325 -0.051 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)C1(n2cnnn2)CC1 854997314 DVVDRVTXFXMTNG-UHFFFAOYSA-N 278.194 -0.738 50 20 CBGD CCO[C@H]1CCCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858694260 KFPGBRULKPVNHX-UWVGGRQHSA-N 298.343 -0.493 50 20 CBGD Cc1cc(C)nc(NNC(=O)NC[C@H]2COCCN2)n1 861681218 NBLSOWCXBFZHAT-JTQLQIEISA-N 280.332 -0.292 50 20 CBGD CCOCCNC(=S)NNC(=O)c1cn[nH]c1 863205538 ZEJWUHWCITXITI-UHFFFAOYSA-N 257.319 -0.445 50 20 CBGD CN(CC1CC1)S(=O)(=O)NNC(=O)c1cn[nH]c1 863413558 JGHWEIOVQAFTFT-UHFFFAOYSA-N 273.318 -0.769 50 20 CBGD C=C[C@@](C)(CC)C(=O)NNC(=O)CS(C)(=O)=O 863465150 VGSKEFDXGKNSPA-JTQLQIEISA-N 262.331 -0.219 50 20 CBGD O=C1C[C@@H](Cc2nc(-c3cccc(B(O)O)c3)no2)CO1 863892798 JATACRRZKXSTTC-MRVPVSSYSA-N 288.068 -0.478 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CCCNC1=O 864454988 BYITUQAYUKTJLR-SSDOTTSWSA-N 256.331 -0.806 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@H]1CCCO1 869903091 JCJWDFVRXUENGP-SECBINFHSA-N 260.290 -0.634 50 20 CBGD C#CCN1CCC[C@H](NC(=O)NN(C)C(=O)OC)C1 890361281 NETKNBDCIPKQJU-JTQLQIEISA-N 268.317 -0.004 50 20 CBGD Cn1cnc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)c1 898618687 AUWTWKGGVXUDOD-JTQLQIEISA-N 281.316 -0.180 50 20 CBGD C[C@@H](O)CN(C)NC(=O)Cn1c(=O)n(C)c2ccccc21 910174253 DLYBHYRLECITDT-SNVBAGLBSA-N 292.339 -0.316 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCCCC[C@H]1CO 911947853 UCHMSBQGJXKNIU-ZDUSSCGKSA-N 277.129 -0.257 50 20 CBGD C[C@](O)(CC(=O)NNC(=O)CN1CCCC1=O)C1CC1 913731472 JTEOAQJTKRQWAY-ZDUSSCGKSA-N 283.328 -0.693 50 20 CBGD C=CCCOCC(=O)NNC(=O)C(=O)NC(C)C 920684205 QJLYQHWRODDUCK-UHFFFAOYSA-N 257.290 -0.749 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@H]2CC[C@H]1[C@H](O)C2 925065533 PMKPDPUDNYYGPE-TVYUQYBPSA-N 275.113 -0.648 50 20 CBGD CC[C@@](C)(O)C(=O)NNC(=O)Cc1cccnc1 931967438 DDDJWWACGUVRPL-GFCCVEGCSA-N 251.286 -0.068 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H](C)N1CCN(C)CC1 1116046672 KTSXCYQGARNTAW-SNVBAGLBSA-N 287.433 -0.474 50 20 CBGD COc1ccc(NNC(=O)CC[C@@H]2NC(=O)NC2=O)nc1 1116708812 AKUXPOCSNQAVHZ-QMMMGPOBSA-N 293.283 -0.479 50 20 CBGD NC(=O)NC1(C(=O)NNc2nc3ccccn3n2)CC1 1116746992 APLBBWFSSPSPFA-UHFFFAOYSA-N 275.272 -0.627 50 20 CBGD COc1ccnc(C=NNC(=O)[C@@H]2CCC(=O)N2)n1 1118889665 PYRKWEVDSFQWPD-ZETCQYMHSA-N 263.257 -0.786 50 20 CBGD CNc1nc(C(=O)N2CC[C@@H](B(O)O)C2)cs1 1119541566 ZFYZJVQYWXMJFU-ZCFIWIBFSA-N 255.108 -0.126 50 20 CBGD Cc1noc(CCCC(=O)NNC(=O)CN(C)C)n1 1251555581 VGLVGPQLDVABCH-UHFFFAOYSA-N 269.305 -0.590 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)NC)cc1 1320224391 PWWZBJBYSGVWSW-UHFFFAOYSA-N 292.295 -0.458 50 20 CBGD C[S@](=O)C1(CNC(=O)NNC(=O)c2ccc[nH]2)CC1 1321181016 DZRJETPUJJJZOF-IBGZPJMESA-N 284.341 -0.130 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1cnn(CC(F)F)c1 1321650303 HMSIVBDDKKBJNH-UHFFFAOYSA-N 297.287 -0.387 50 20 CBGD Cn1cc(C(=O)NNC(=O)COCc2ccnn2C)cn1 1322987644 GHVCBMITSYDPOU-UHFFFAOYSA-N 292.299 -0.869 50 20 CBGD COC(=O)NNC(=O)c1ccnc2c1nnn2C 1325233867 NOZFYAUOKQDBJT-UHFFFAOYSA-N 250.218 -0.636 50 20 CBGD CCNC(=O)CCCC(=O)NNc1cnnn1C 1331130094 BBCFVWSRUPSMOH-UHFFFAOYSA-N 254.294 -0.435 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc2c(c1)CN(C(C)=O)C2 1333653182 CCWIGBNVCXBWGB-UHFFFAOYSA-N 297.336 -0.122 50 20 CBGD COc1cc(CCC(=O)NNc2cnnn2C)on1 1334722605 GEEUJICLFREDBS-UHFFFAOYSA-N 266.261 -0.112 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1cn(C)c(C)n1 1335346689 AUZVBMRUNDXDIE-UHFFFAOYSA-N 272.330 -0.387 50 20 CBGD CCc1nn(C)cc1NC(=O)NNC(=O)CCO 1338057353 NMCARRLOSBAGGT-UHFFFAOYSA-N 255.278 -0.482 50 20 CBGD O=C(NN=Cc1cc[nH]n1)[C@@H]1CCS(=O)(=O)C1 1341144204 JLJVXERPPOAPFP-SSDOTTSWSA-N 256.287 -0.706 50 20 CBGD O=C(NNc1cccnn1)[C@H]1CCc2nncn2C1 1343962007 UCQATQOPAASKEZ-QMMMGPOBSA-N 259.273 -0.226 50 20 CBGD CO[C@@H](CN)C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1579111130 MCNKEQWLYYLOSX-VIFPVBQESA-N 281.316 -0.977 50 20 CBGD NC[C@H](NC(=O)NNC(=O)C1CCOCC1)C1CC1 1580222560 YIVYQSFREOMXPI-JTQLQIEISA-N 270.333 -0.519 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@]1(C(=O)O)CCCO1 1588928234 VNFBXTDIVWFIOC-SNVBAGLBSA-N 275.330 -0.476 50 20 CBGD C[C@H](CC(N)=O)C(=O)NNc1ncccc1C(=O)O 1589008672 XPJATSILGVFXDW-ZCFIWIBFSA-N 266.257 -0.266 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)NC1CCC(C(=O)O)CC1 1594780580 YFFNZKCQUVDBEB-UHFFFAOYSA-N 295.299 -0.003 50 20 CBGD O=C(O)C1(C(=O)NNc2ncncc2F)CCOCC1 1594867340 LVOFOVXVRHPNBL-UHFFFAOYSA-N 284.247 -0.060 50 20 CBGD COc1cc(C(=O)O)sc1S(=O)(=O)NNC(C)=O 1599385460 IYIBIYAZWKISQC-UHFFFAOYSA-N 294.310 -0.216 50 20 CBGD O=C(O)CCCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 1601982376 WRBVEVGOKAVPLB-SSDOTTSWSA-N 271.273 -0.943 50 20 CBGD O=C(O)c1ccoc1S(=O)(=O)N1CC[C@@H](B(O)O)C1 1602487166 BIQLQNMLGCQTDD-ZCFIWIBFSA-N 289.074 -0.785 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=S)NCCCC(=O)O 1609880067 VHHLFDWJPZFVKL-YUMQZZPRSA-N 289.357 -0.229 50 20 CBGD O=C(N/N=C1/C(=O)Nc2ccccc21)C(=O)NC1CC1 8218629 RFOIUOWPJZAIKJ-UHFFFAOYSA-N 272.264 -0.262 50 20 CBGD CCOC(=O)[C@@H]1CCCN(CC(=O)NNC(C)=O)C1 48580854 OLFXZVVCERIDOD-SNVBAGLBSA-N 271.317 -0.571 50 20 CBGD O=C(CO)NNC(=O)CCc1nc(-c2cccs2)no1 180944507 YDHJOMATFXCODQ-UHFFFAOYSA-N 296.308 -0.130 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)c1ccc[nH]1 270457115 CICIVEHPIUPDLS-LURJTMIESA-N 254.246 -0.480 50 20 CBGD Cn1cc(CNS(=O)(=O)CCCCl)nn1 389809782 FISZWAPCRSVZNR-UHFFFAOYSA-N 252.727 -0.137 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CC[C@H](CO)[C@@H](O)C1 491176600 QNAFERLTAFRJEA-QTCFEDSUSA-N 254.286 -0.368 50 20 CBGD O=C(NC[C@@H]1CCCO1)c1cc(B(O)O)ccc1F 584923693 LELFIZIAYLSHPN-VIFPVBQESA-N 267.065 -0.586 50 20 CBGD CC(C)NC(=O)C[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 584953197 SBQAVUQGROJMFZ-SNVBAGLBSA-N 292.144 -0.601 50 20 CBGD CC(C)NC(=O)C[C@@H](C)NC(=O)c1cccc(B(O)O)c1 584953335 ULQUTZVEKRTGNW-SNVBAGLBSA-N 292.144 -0.601 50 20 CBGD CC[C@H](O)CCCNC(=O)c1cccc(B(O)O)c1 584953598 FAQAHVZQMFOVNM-LBPRGKRZSA-N 265.118 -0.353 50 20 CBGD CN(C)[C@@H]1CCC[C@H]1NC(=O)c1cc(B(O)O)ccc1F 584976078 JEYQKAMFFQEDPT-CHWSQXEVSA-N 294.135 -0.282 50 20 CBGD CC[C@H](O)CNC(=O)c1ccc(B(O)O)c(F)c1 584992787 RRNZIPDRKHRBON-QMMMGPOBSA-N 255.054 -0.994 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@H]1CCO 584997601 GOGQPXJBVOJZKP-JTQLQIEISA-N 281.092 -0.508 50 20 CBGD Cc1nnc2n1CCC[C@H]2NCc1ccc(B(O)O)cc1 585025837 DZJKKSOREZISKJ-CYBMUJFWSA-N 286.144 -0.109 50 20 CBGD CC1(CNCc2ccc(B(O)O)o2)CCOCC1 585029024 AZAYVZQRTLYTHH-UHFFFAOYSA-N 253.107 -0.134 50 20 CBGD CCNC(=O)C(C)(C)CNCc1ccc(B(O)O)o1 585029889 LIDZREXUFVZLKY-UHFFFAOYSA-N 268.122 -0.789 50 20 CBGD COC[C@H](NCc1ccc(B(O)O)o1)[C@H]1CCCO1 585038419 DOFFPBJAEBOALC-WDEREUQCSA-N 269.106 -0.757 50 20 CBGD O=C1C[C@H](NCc2ccccc2B(O)O)[C@H]2CCCCN12 585041473 DDMXOTLDODESRH-UONOGXRCSA-N 288.156 -0.391 50 20 CBGD CCN1C[C@H](NCc2ccccc2B(O)O)CC1=O 585043675 QHQFCGXWGUSECU-LLVKDONJSA-N 262.118 -0.923 50 20 CBGD OC[C@H](NCc1ccc(B(O)O)cc1)[C@@H]1CCCOC1 585045472 BHXPTAPMZCZKMO-OCCSQVGLSA-N 279.145 -0.757 50 20 CBGD CCOc1cccc(S(=O)(=O)NCB(O)O)c1 585059389 LTCLLLKAQFAJKI-UHFFFAOYSA-N 259.092 -0.624 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)c1cccc(C#N)c1 728825294 SULPHNQUALHICR-UHFFFAOYSA-N 274.280 -0.202 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](CNC(C)=O)C1 732198584 XTHJSBYYJMZBRX-JQWIXIFHSA-N 298.387 -0.220 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@@H]1C(=O)O)c1ccc2c(c1)OCO2 739453235 DKDOJAOBELNWEL-YUMQZZPRSA-N 292.247 -0.103 50 20 CBGD CN1C(=O)C(=NNC(=O)C(=O)NC2CC2)c2ccccc21 744824152 QILNSPIAVJHEIR-UHFFFAOYSA-N 286.291 -0.238 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc(O[C@H]2CCOC2)cc1 756682947 QSWBXZGURPRGIU-NSHDSACASA-N 295.295 -0.001 50 20 CBGD O=C(NN=c1cc[nH]cc1Cl)[C@@H]1CN2CCCN1CC2 764565594 IQAPYGQQXXPTIP-LBPRGKRZSA-N 295.774 -0.010 50 20 CBGD CC(=O)NNC(=O)Nc1ccn(CC(=O)N(C)C)n1 765173932 ACGAARNURXXQBH-UHFFFAOYSA-N 268.277 -0.856 50 20 CBGD COc1ccc(NC(=O)NNC(C)=O)cc1-n1cnnn1 765191393 HHKMNTMKEHUUTI-UHFFFAOYSA-N 291.271 -0.157 50 20 CBGD CC(=O)NNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 765990769 XQUZWONYROHPQE-ZETCQYMHSA-N 265.335 -0.882 50 20 CBGD C[C@@H]1CCCN(C(=O)C(=O)NNC(=O)NCC2CC2)C1 767722054 JTYXTZMYIZNAAS-SECBINFHSA-N 282.344 -0.015 50 20 CBGD O=C(CO)NN=C1CCN(Cc2ccccc2)C1=O 776780952 SKLMAPGLNVWNCW-UHFFFAOYSA-N 261.281 -0.117 50 20 CBGD Cn1nccc1COCC(=O)NNC(=O)c1ccccn1 785669053 QETYCMRPAQFZBK-UHFFFAOYSA-N 289.295 -0.207 50 20 CBGD CNS(=O)(=O)CC(=O)NNC(=O)Nc1ccccc1 801991163 JSNOUCSRYFDPNF-UHFFFAOYSA-N 286.313 -0.612 50 20 CBGD CN1C[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2)CC1=O 802032896 WNFQVFSEDPVHPD-QMMMGPOBSA-N 277.284 -0.866 50 20 CBGD CCOC(=O)/C(C#N)=C\N[C@@H]1CCC(=O)N(C)C1=O 818997292 XGBPJHPFQFSEBV-UFGYOYAJSA-N 265.269 -0.306 50 20 CBGD CN(C)C(=O)[C@H]1CSCN1S(=O)(=O)CCl 830344154 NFNAIXMOZJQEIG-ZCFIWIBFSA-N 272.779 -0.024 50 20 CBGD CNC(=O)CCCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843974264 BWSASWMQJUMKLZ-RKDXNWHRSA-N 271.317 -0.525 50 20 CBGD O=C(NNc1cccc(F)n1)[C@H]1CCS(=O)(=O)N1 846140162 HWGSMOPLNPUHSG-ZCFIWIBFSA-N 274.277 -0.645 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@H](C(=O)O)C(C)C 848593109 YDVISGFONJBRQX-QMMMGPOBSA-N 275.305 -0.290 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H]1CCCc2nn[nH]c21 854409052 GFSSCCKMQORAGG-ZCFIWIBFSA-N 253.262 -0.046 50 20 CBGD O=C1CC(C(=O)NNC(=O)c2cccc(F)n2)C1 856422856 FHVKLZCFQLGHGO-UHFFFAOYSA-N 251.217 -0.039 50 20 CBGD CC1(C)C[C@H]1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858215498 GKVWEIQARYJAIL-YUMQZZPRSA-N 268.317 -0.359 50 20 CBGD CO[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858346716 QTWGTMYSCFNTQB-KXUCPTDWSA-N 298.343 -0.590 50 20 CBGD CC1(C)CC[C@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858456289 FKVZDDIJXSOZHQ-JGVFFNPUSA-N 268.317 -0.216 50 20 CBGD CC[C@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)CCO1 858704203 GFFFILRPAPQYFH-VIFPVBQESA-N 267.289 -0.125 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@]1(C2CCCC2)CCNC1=O 861206427 XTVHWJWFKQDKFJ-CQSZACIVSA-N 297.355 -0.399 50 20 CBGD O=C(NC[C@@H]1COCCN1)NNc1cncc(Cl)n1 861682414 XMJGLDMEYOXKIO-SSDOTTSWSA-N 286.723 -0.256 50 20 CBGD CO[C@@](C)(C(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CC1 862461960 NOLDOHSUOVTFSB-PRHODGIISA-N 269.301 -0.773 50 20 CBGD C=CCS(=O)(=O)CCNCc1ccccc1B(O)O 863890709 BZDQTUOVSJHEOL-UHFFFAOYSA-N 283.158 -0.943 50 20 CBGD CN(C(=O)c1ccc(B(O)O)cc1)[C@@H]1CCCCNC1=O 865118862 NVPHFKAMPIEEDK-GFCCVEGCSA-N 290.128 -0.893 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)CCN1C 866097148 IHPFKFMNBQWSRW-JTQLQIEISA-N 262.118 -0.858 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F 874194358 IOQQQRTVSCNAJL-RITPCOANSA-N 296.249 -0.349 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnc2cccnn12 878681732 YVFVXDYSWBEJFD-UHFFFAOYSA-N 262.273 -0.948 50 20 CBGD Cn1cc(C=NNC(=O)C(N)=O)c(-c2ccc(C#N)cc2)n1 1116488813 FNDPWTQZSGDHCU-UHFFFAOYSA-N 296.290 -0.106 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC[C@H]1CCO[C@H](C)C1 1116553015 IOPSHXIESSRHNL-BDAKNGLRSA-N 287.316 -0.305 50 20 CBGD CNC(=O)c1cccc(C(=O)NN(C)C(=O)OC)n1 1117184702 GBKGSKWVWCDADS-UHFFFAOYSA-N 266.257 -0.216 50 20 CBGD CCn1cc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 1118862981 DLABHBZXDSKUFV-SECBINFHSA-N 294.315 -0.988 50 20 CBGD C[C@H](O)c1cn(CC(=O)NNC(=O)C(C)(C)C)nn1 1253050056 YFBDJXNHRDOSRI-ZETCQYMHSA-N 269.305 -0.475 50 20 CBGD CC[C@@H](C(=O)NNc1cnnn1C)N1CCCC1=O 1261246033 YOQVYQJXYOCGHQ-QMMMGPOBSA-N 266.305 -0.341 50 20 CBGD NC(=O)N[C@@H](CO)C(=O)NNc1cccc(Cl)n1 1261247386 VYQLPFWXAXZVLV-YFKPBYRVSA-N 273.680 -0.793 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CO[C@H]1CCOC1 1261501377 ZJZANOIUCZPZEH-LPEHRKFASA-N 272.301 -0.636 50 20 CBGD Nc1cnnc(NNC(=O)c2cnn[nH]2)c1Cl 1319329092 UZEAPZKSHKRYCY-UHFFFAOYSA-N 254.641 -0.413 50 20 CBGD O=C(NNC(=O)C(=O)N1CCCC1)NC1CC(F)(F)C1 1321117821 KPOWNHYFDYIZLF-UHFFFAOYSA-N 290.270 -0.263 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)NCC(F)(F)F)CC1 1321624816 LGSCRZDVOAFRQT-UHFFFAOYSA-N 268.195 -0.855 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)N[C@H]3CCOC3)nc21 1324365098 JXJCVCVTXLFUFO-LURJTMIESA-N 293.287 -0.516 50 20 CBGD COc1cccc(NC(=O)NNC(=O)CCO)n1 1328184842 LYTIIEJXZMNPRE-UHFFFAOYSA-N 254.246 -0.375 50 20 CBGD COCc1nccc(NC(=O)NNC(=O)CCO)n1 1328742659 FSXWWWROZDOTJU-UHFFFAOYSA-N 269.261 -0.842 50 20 CBGD C[C@@H](CC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1cnn(C)c1 1329530656 OPTQJFXIWHYLLO-WCBMZHEXSA-N 293.327 -0.660 50 20 CBGD NC(=O)c1cccc(C(=O)N2CC[C@@H](B(O)O)C2)c1 1329670659 DBCPOHPKAMXDRW-SNVBAGLBSA-N 262.074 -0.526 50 20 CBGD CC(C)NC(=S)NNC(=O)c1cnc2c(c1)nnn2C 1337744446 BETUQIGNBCACIN-UHFFFAOYSA-N 293.356 -0.119 50 20 CBGD C[C@H](NNC(=O)[C@@H]1CN2CCN1C[C@H]2C)C(F)(F)F 1521747505 LLSKOVPCYBUWJZ-VGMNWLOBSA-N 280.294 -0.054 50 20 CBGD CS(=O)(=O)SCCNC(=O)C[C@@H](N)C1CC1 1579349116 UKEZWLKMTQYGDW-MRVPVSSYSA-N 266.388 -0.077 50 20 CBGD N#Cc1cccc(-c2nn[nH]n2)c1N1CC[C@@H](B(O)O)C1 1592698168 LZMPMIMSSGDUEV-SECBINFHSA-N 284.088 -0.209 50 20 CBGD CN(C)c1ccc(CCNC(=O)NNC(=O)C(=O)O)cc1 1598317252 CCYLSKLMUJHUKQ-UHFFFAOYSA-N 294.311 -0.290 50 20 CBGD O=C(CN[C@@H](C[C@H]1CCCO1)C(=O)O)NNC(=O)C1CC1 1601326983 ZIIXQXWUNSNJAT-ZJUUUORDSA-N 299.327 -0.844 50 20 CBGD O=C(Cn1ccc(C(=O)O)n1)NNC(=O)c1ccccn1 1601384251 DCPFKVBJEXDIGV-UHFFFAOYSA-N 289.251 -0.563 50 20 CBGD COC(=O)C(=O)NN=Cc1cccn1[C@@H](C)C(=O)O 1610149961 TZFMKVZUPLHPAZ-ZETCQYMHSA-N 267.241 -0.243 50 20 CBGD N#CC1=CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1 1647141599 YGDCARWHMXMAFU-UHFFFAOYSA-N 298.368 -0.416 50 20 CBGD CCNC(=O)CN(C)S(=O)(=O)CBr 127199073 BIUWELSVBISPAE-UHFFFAOYSA-N 273.152 -0.264 50 20 CBGD O=C1CCCC[C@H](C(=O)NNC(=O)c2ccc[nH]2)N1 193706952 ORVMQFLAYDWWKD-SECBINFHSA-N 264.285 -0.166 50 20 CBGD CCN1CCN(CCC(=O)NNC(=O)c2ccc[nH]2)CC1 263734628 ZDIRAGRVSXLXHD-UHFFFAOYSA-N 293.371 -0.197 50 20 CBGD CN(C)CC(=O)NNC(=O)CN1Cc2ccccc2C1=O 265071985 OEMMOHYRCIXLQU-UHFFFAOYSA-N 290.323 -0.649 50 20 CBGD O=C(NNC(=O)[C@@H]1COCCO1)c1cccc(Cl)n1 266734225 XZFFCTVZUILRMX-QMMMGPOBSA-N 285.687 -0.089 50 20 CBGD CN1C[C@@H](C(=O)NNC(=O)Cc2ccncc2)CC1=O 266974075 UXGLNORXCDJAPR-JTQLQIEISA-N 276.296 -0.750 50 20 CBGD C=CCNC(=S)NNC(=O)Cc1cnn(C)c1C 292076461 WHEGOPVVLUZBAP-UHFFFAOYSA-N 267.358 -0.048 50 20 CBGD CNC(=O)NCCC(=O)NNC(=O)Cc1ccccc1F 293968658 APFLSWIUGCJNII-UHFFFAOYSA-N 296.302 -0.165 50 20 CBGD O=C(NNC(=O)[C@@H]1CN2CCCN1CC2)c1cccnc1 367162062 XDCDROZSVUPAEY-LBPRGKRZSA-N 289.339 -0.768 50 20 CBGD CCO/C=C(\C#N)C(=O)NC[C@@]1(O)CCN(C)C1 490875726 IUQGEIOBDSHVAO-PMDBQALLSA-N 253.302 -0.387 50 20 CBGD COC(=O)N(C)NC(=O)CC1(CS(C)(=O)=O)CC1 495824870 ZYTIWHBZSNAMMR-UHFFFAOYSA-N 278.330 -0.069 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1CCc2nncn2C1 584911744 MIVIVFIKZKUWJO-VIFPVBQESA-N 286.100 -0.841 50 20 CBGD C[C@H](O)C[C@H](C)CNC(=O)c1ccc(B(O)O)cc1 584948577 DIGKRMCOMBLYGK-UWVGGRQHSA-N 265.118 -0.497 50 20 CBGD C[C@]1(CO)CCC[C@@H]1NC(=O)c1cc(B(O)O)ccc1F 584962084 HTLFAHXNXGSAAT-GXTWGEPZSA-N 295.119 -0.214 50 20 CBGD C[C@](CO)(NC(=O)c1cccc(B(O)O)c1)C1CC1 584962386 DPMODOWQAWJJMY-CYBMUJFWSA-N 263.102 -0.743 50 20 CBGD CN(C[C@H]1CCCN1C)C(=O)c1cccc(B(O)O)c1 584998836 BDHAPMAHPDNAHC-CYBMUJFWSA-N 276.145 -0.467 50 20 CBGD C[C@H]1C[C@H](O)CN(C(=O)c2ccc(B(O)O)c(F)c2)C1 585001424 WCXCKTBSXFUVMD-WPRPVWTQSA-N 281.092 -0.652 50 20 CBGD CNC(=O)C1CCC(NCc2ccc(B(O)O)o2)CC1 585019133 CPIDWUBMDTVSKB-UHFFFAOYSA-N 280.133 -0.646 50 20 CBGD Cc1c(C(=O)NCB(O)O)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 585059609 UQNUDFCZUPPMIV-UHFFFAOYSA-N 297.032 -0.138 50 20 CBGD Cc1cccc(-n2cc(C(=O)NCB(O)O)nn2)c1 585061854 JYEQZAIKPLAXEJ-UHFFFAOYSA-N 260.062 -0.682 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cccnc1 728435667 GNSVFRISNXMLEY-VIFPVBQESA-N 284.341 -0.141 50 20 CBGD COCCN(CCOC)CC(=O)NNC(=O)C1CC1 733193202 JCCFHOXRZMSKNJ-UHFFFAOYSA-N 273.333 -0.861 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(CC)C1 771989401 HZKYLVAFZKMOJC-IUCAKERBSA-N 299.327 -0.656 50 20 CBGD CC(=O)NNC(=O)c1cc(Cl)sc1S(N)(=O)=O 773703009 ZIFBYAORKHRZOW-UHFFFAOYSA-N 297.745 -0.170 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cccc(OC)n1 790173408 IUBVZGHTFWHVOS-UHFFFAOYSA-N 266.257 -0.104 50 20 CBGD O=C1C[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)CCN1 802036575 VZLBAIPTLLQPRP-MRVPVSSYSA-N 277.284 -0.818 50 20 CBGD COCCN(C)NC(=O)CCC(=O)N1CCOCC1 808074429 CRWULXRFQPILRB-UHFFFAOYSA-N 273.333 -0.765 50 20 CBGD CC[C@@H](CNC(=O)NNC(=O)[C@@H](C)OCCOC)OC 812589845 IRTPEMHBZPQLHM-ZJUUUORDSA-N 291.348 -0.207 50 20 CBGD O=C1NC(=O)C(=NNC(=O)c2ccc(Cl)nc2)C(=O)N1 814219394 XVVANITVYAUUGG-UHFFFAOYSA-N 295.642 -0.813 50 20 CBGD CCOc1cnc(C(=O)NN(C)[C@H](C)CO)cn1 823934107 BXSOFOLVXRGRGC-MRVPVSSYSA-N 254.290 -0.167 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CN1Cc2ccccc2C1=O 823960147 WSPWSXNWDFCFQI-JTQLQIEISA-N 277.324 -0.014 50 20 CBGD CCOCCNC(=S)NNC(=O)[C@@H]1CCO[C@@H]1C 843278134 XDZQDEMOAFZFON-RKDXNWHRSA-N 275.374 -0.057 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843656352 ANHZYDAPNFEXQR-AATLWQCWSA-N 256.302 -0.016 50 20 CBGD CNC[C@H](C)NC(=O)NNC(=O)Cc1cccnc1 851682462 WETRRHBCAHLBNA-VIFPVBQESA-N 265.317 -0.438 50 20 CBGD Cc1ccc(/C=C/C(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 862461891 SKPJWIBOCZVLSW-DUMNWFOQSA-N 288.307 -0.171 50 20 CBGD C[C@@H](C[C@H]1CCOC1)NC(=O)c1ccc(B(O)O)cc1 866585048 MYPYKUHWNXFDRK-WDEREUQCSA-N 277.129 -0.089 50 20 CBGD CCn1cc(C(=O)NNC(=O)COCCOC)cn1 869909691 GKDSQIYQMDAVKQ-UHFFFAOYSA-N 270.289 -0.673 50 20 CBGD CC[C@@]1(O)CCCN(C(=O)c2ccc(B(O)O)cc2)C1 870678153 NDLIFMQGYGEOHA-CQSZACIVSA-N 277.129 -0.257 50 20 CBGD COC(=O)N(C)NC(=O)N[C@@H]1CCCN(C)C1=O 875343024 RAIIJUOGDLWEKO-SSDOTTSWSA-N 258.278 -0.480 50 20 CBGD COCc1ccccc1NC(=O)C(=O)NNC(C)=O 1116598655 PTBUGTQKEOKRLK-UHFFFAOYSA-N 265.269 -0.061 50 20 CBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cncnc1OC 1116620818 MFHZFBOAAIYLIG-SSDOTTSWSA-N 295.299 -0.383 50 20 CBGD Cc1noc(CCCC(=O)NNC(=O)C(C)(C)O)n1 1116728147 LVFUZKMUWTYYAS-UHFFFAOYSA-N 270.289 -0.381 50 20 CBGD C[C@@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CCOCC1 1118863134 IEZVQWXHAPJYBI-SCZZXKLOSA-N 298.343 -0.590 50 20 CBGD O=C(NNc1ncncc1Cl)C(=O)NC1CC1 1255399176 XHONWRMAIRPRCL-UHFFFAOYSA-N 255.665 -0.148 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CN3CCN2C[C@@H]3C)o1 1263765703 ZXTZNQXHWAKTMZ-ONGXEEELSA-N 292.339 -0.263 50 20 CBGD O=C(Cn1cnnn1)NNc1cncc(Br)c1 1319748496 UXRRUDDPTAOYKB-UHFFFAOYSA-N 298.104 -0.026 50 20 CBGD C[C@@H]1C[C@@H](C(=O)NNc2ccc(C(N)=O)nn2)CCO1 1320082053 ZKQZAELIDFMNKO-SFYZADRCSA-N 279.300 -0.166 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCc1ccncn1 1320824000 ACJGZNDUJGLFLZ-UHFFFAOYSA-N 252.274 -0.673 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(F)cn1 1320881108 BXKGFLOBYJOKTE-UHFFFAOYSA-N 283.263 -0.148 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)C1=CCOCC1 1321079972 NOZQQCXFXXBBSC-UHFFFAOYSA-N 250.258 -0.554 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)c1ccc[n+]([O-])c1 1322269676 KYUQWCZGXPOVEH-UHFFFAOYSA-N 272.264 -0.281 50 20 CBGD C[C@H]1COCC[C@H]1CNC(=O)NNC(=O)C(=O)NC1CC1 1323840697 PFPNYEPWAKXEFF-IUCAKERBSA-N 298.343 -0.732 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCCCNC(N)=O 1326381271 KOPICIBQGTYWDU-RKDXNWHRSA-N 286.332 -0.603 50 20 CBGD Cc1ncc(C=NNC(=O)CS(C)(=O)=O)s1 1329111596 SYMDAQMOLDKWRY-UHFFFAOYSA-N 261.328 -0.054 50 20 CBGD Cc1cc(C)n2nc(C(=O)N3CC[C@@H](B(O)O)C3)nc2n1 1329214816 KZPGBVBSUPOISR-SECBINFHSA-N 289.104 -0.570 50 20 CBGD Cc1nn(C)c(C)c1C=NNC(=O)[C@@H]1CCC(=O)N1 1329558343 UYXGCTYADQGNCD-JTQLQIEISA-N 263.301 -0.234 50 20 CBGD O=C1NCCC[C@H]1C(=O)NNC(=S)Nc1ccccn1 1329867738 VUZMENHDKIQYFP-MRVPVSSYSA-N 293.352 -0.075 50 20 CBGD N#Cc1ccncc1C(=O)NNC(=O)C(=O)N1CCCC1 1330122466 FSTUHXRXLKCRGH-UHFFFAOYSA-N 287.279 -0.663 50 20 CBGD CCn1cnc(C(=O)NNc2nnc(C)c(O)n2)c1 1331338222 OTEYJTLJBDGGFS-UHFFFAOYSA-N 263.261 -0.141 50 20 CBGD O=C(C[C@@H]1CCCOC1)NNC(=O)[C@H]1CCC(=O)N1 1331692236 VWNQUZYMHRWBAO-DTWKUNHWSA-N 269.301 -0.771 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)N1CC=C(C#N)CC1 1337474171 XPXYLJNOWHAWER-MRVPVSSYSA-N 257.315 -0.394 50 20 CBGD CC(C)CC(=O)NNC(=O)C(=O)c1cnn(C)c1 1338096443 GEHOTKSDZMJUAY-UHFFFAOYSA-N 252.274 -0.204 50 20 CBGD CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cnnn1C 1343881753 JBYRAASFXQTRLJ-MRVPVSSYSA-N 285.329 -0.910 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCN(C2CC2)C1 1345722968 OGOUSVKXCLXTFS-UMNHJUIQSA-N 296.371 -0.022 50 20 CBGD COc1cc(C(=O)NNC(=O)C2CCNCC2)ncn1 1579142440 VVBODPKCTQLTMV-UHFFFAOYSA-N 279.300 -0.754 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCNC1)c1cc2ncccn2n1 1580733175 OOCXBYXERJMWLT-SECBINFHSA-N 288.311 -0.510 50 20 CBGD CC(=O)N1CC(C(=O)NNc2ccc(C(=O)O)cn2)C1 1589056090 IWOBHQGKFPNWHE-UHFFFAOYSA-N 278.268 -0.299 50 20 CBGD Cc1nnc(NNC(=O)C(C)(C)C(=O)O)nc1O 1594492579 FYUJGAMFTGHBEX-UHFFFAOYSA-N 255.234 -0.560 50 20 CBGD CCNC(=O)NNC(=O)c1cc(C(=O)O)nn1C 1596470638 ATVQIOKQYUKVGP-UHFFFAOYSA-N 255.234 -0.918 50 20 CBGD CCc1ccc([C@@H](COC)NC(=O)NNC(=O)C(=O)O)o1 1597513375 SLQBGSVSVYJRAQ-MRVPVSSYSA-N 299.283 -0.056 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccc(C(=O)O)[nH]2)cn1 1600932074 JPZGRHFNIXYUHC-UHFFFAOYSA-N 277.240 -0.479 50 20 CBGD O=C(O)COCCNC(=O)NNc1cccc(F)n1 1608757540 JXPJNNAIIJASDX-UHFFFAOYSA-N 272.236 -0.052 50 20 CBGD CCC(C)(C)NC(=S)NNC(=O)NCC(=O)O 1609894812 VNXNPLYWGPIZJS-UHFFFAOYSA-N 262.335 -0.062 50 20 CBGD C[C@@]1(NNC(=O)NCc2ccccn2)CCS(=O)(=O)C1 42880460 ROOWDGLLSFQUNL-GFCCVEGCSA-N 298.368 -0.037 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)NC2CC2)cc1 49151136 ICBSKGVMECBWEG-UHFFFAOYSA-N 262.269 -0.108 50 20 CBGD C#CCOCCC(=O)NNc1nccc(OC)n1 118986228 VPQAPPWLRLJUAA-UHFFFAOYSA-N 250.258 -0.032 50 20 CBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccccc1 126432638 DRUIELNGNQQCBE-UHFFFAOYSA-N 264.285 -0.666 50 20 CBGD COCCNC(=O)NNC(=O)COc1ccccc1O 264524572 XBOWCJAWTBYRIR-UHFFFAOYSA-N 283.284 -0.252 50 20 CBGD CC[C@H](C(=O)NNC(=O)N(C)C)N1CCCC1=O 266826426 JALWUFCJJFCRMA-MRVPVSSYSA-N 256.306 -0.310 50 20 CBGD CCO[C@H]1C[C@H]1C(=O)NNC(=O)CNC(=O)c1ccco1 299707576 YBLMYNVXSRMKAI-SCZZXKLOSA-N 295.295 -0.418 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)c2ccccc2O)C1 376794411 YVDWJLWKKWHBBX-LBPRGKRZSA-N 293.323 -0.126 50 20 CBGD COC(=O)N(C)NC(=O)CCCCCNC(N)=O 496376655 JHTJLIUHJXKZKH-UHFFFAOYSA-N 260.294 -0.056 50 20 CBGD Cc1cc(C[C@@H](C)NC(=O)c2cccc(B(O)O)c2)n[nH]1 584965029 OCGHFZRIYJURKW-SECBINFHSA-N 287.128 -0.241 50 20 CBGD C[C@@H](O)[C@@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 584965474 RKBLCILDQWPPFF-NXEZZACHSA-N 295.119 -0.262 50 20 CBGD OB(O)c1ccc(CNCCCN2CCCCC2)o1 585014411 QNDVPHDBGVKNSE-UHFFFAOYSA-N 266.150 -0.075 50 20 CBGD CN1CCC[C@@H](NCc2ccc(B(O)O)cc2)C1=O 585026276 KDHNPELAINRJTM-GFCCVEGCSA-N 262.118 -0.923 50 20 CBGD COCCCOCc1nc(-c2cccc(B(O)O)c2)no1 585053245 JIOBWCLKDFTUSG-UHFFFAOYSA-N 292.100 -0.031 50 20 CBGD O=C(NCB(O)O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 585058635 LKUQPOLBVUHAOW-UHFFFAOYSA-N 290.044 -0.478 50 20 CBGD O=C(Cc1ccn(-c2ccc(F)cc2)n1)NCB(O)O 585059965 HRKHTDAVKRIABR-UHFFFAOYSA-N 277.064 -0.318 50 20 CBGD O=C(NCB(O)O)c1cnn(Cc2ccccc2)c1 585060599 HNFJPYFWSSORSU-UHFFFAOYSA-N 259.074 -0.327 50 20 CBGD O=C1NCC[C@@]1(C(=O)N1CC[C@H](B(O)O)C1)C1CCCC1 585065465 DHQHHQHHOSVJTG-SMDDNHRTSA-N 294.160 -0.242 50 20 CBGD C[C@@H]1COCCN1CCNC(=O)NNC(=O)c1ccc[nH]1 729613227 AQKKVKNRDVTGET-SNVBAGLBSA-N 295.343 -0.321 50 20 CBGD Cn1cc(C(=O)NNC(=O)COC[C@H]2CCCO2)cn1 735446460 YXDZPBHKNCUBFA-SNVBAGLBSA-N 282.300 -0.623 50 20 CBGD CC(C)C(=O)NNC(=O)C[C@@H]1SC(=N)NC1=O 742476564 FUWPJERMDVAOHG-YFKPBYRVSA-N 258.303 -0.654 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 745857776 KYPHDZQSRNYXOY-UWVGGRQHSA-N 272.349 -0.164 50 20 CBGD O=C(Cc1ccncc1)NN=C1CCS(=O)(=O)C1 747641012 QNDLRGFXVQFMAG-UHFFFAOYSA-N 267.310 -0.085 50 20 CBGD C[C@@H](NC(=O)C(C)(C)C)C(=O)NNc1nccn(C)c1=O 747942121 WOCVVXZXRPNSRU-MRVPVSSYSA-N 295.343 -0.226 50 20 CBGD C[C@@H](C(=O)NNC(=O)C1CC1)N1CCN(C)CC1 750659295 NCJWUCRRRDPIRG-VIFPVBQESA-N 254.334 -0.820 50 20 CBGD Cc1c(NC(=O)NNC(=O)CO)cnn1CC(C)C 757801955 PZJYXKCZDQMZAK-UHFFFAOYSA-N 269.305 -0.007 50 20 CBGD CO[C@H](C)C(C)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 763164718 YOLLOKSEYLDNDF-RKDXNWHRSA-N 277.346 -0.117 50 20 CBGD Cc1cc(C(=O)NNC(=O)COC[C@H]2CCCO2)n[nH]1 768277265 CQYMZZHTZDNCFL-SECBINFHSA-N 282.300 -0.325 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNC(=S)NCCSC 770247908 OOPDPTPZBMZUSK-SSDOTTSWSA-N 292.430 -0.241 50 20 CBGD C[C@H](NC(=O)NNC(=O)c1ccc[nH]1)[C@H]1CN(C)CCO1 770437302 HCJJSLDOMADANK-GXSJLCMTSA-N 295.343 -0.322 50 20 CBGD CNC(=O)NNC(=O)[C@H](C(C)C)N1CCCS1(=O)=O 772687347 WAGSZWALYQLTON-QMMMGPOBSA-N 292.361 -0.993 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)[C@H]2CCNC(=O)C2)n1 779373731 YJCHTQNGGDMTDY-YFKPBYRVSA-N 284.707 -0.319 50 20 CBGD C[C@@H]1CN(C)C(=O)CN1S(=O)(=O)CBr 782493903 XBFZDKUAOXWSLB-ZCFIWIBFSA-N 285.163 -0.169 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)n[nH]1 787184110 NJTNJSHSVMSBGK-RKDXNWHRSA-N 293.327 -0.229 50 20 CBGD COCCONC(=O)NNC(=O)Cc1cccnc1 789338834 SAROCMPGTUKSRJ-UHFFFAOYSA-N 268.273 -0.468 50 20 CBGD CC[C@@H](C)[C@@H](OC)C(=O)NNC(=O)C(=O)NC1CC1 792852812 HUPQKVUSEUQXCB-VXNVDRBHSA-N 271.317 -0.527 50 20 CBGD C=C[C@H](NNC(=O)CNC(=O)c1cccs1)C(=O)OC 799977837 NYYMCXFHCOVSFC-QMMMGPOBSA-N 297.336 -0.174 50 20 CBGD O=C(NNc1ncccc1F)C1=NN(CCO)C(=O)CC1 804213487 OUFHAAZYDCSOAW-UHFFFAOYSA-N 295.274 -0.366 50 20 CBGD CN(CC(=O)O)CC(=O)NNC(=O)c1ccc(C#N)cc1 820569156 MYOAHDWCGDNXHZ-UHFFFAOYSA-N 290.279 -0.664 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@](C)(C#N)CC(=O)O 821305005 NTKRWVHXILCGRT-GFCCVEGCSA-N 278.268 -0.209 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@]1(C)CCNC1=O 824015898 FQUPOMWBWJRVAM-SXMVTHIZSA-N 269.301 -0.915 50 20 CBGD CCOC(=O)CC1(S(=O)(=O)NNC(=O)CC)CC1 840910888 OJWTXRKNOBDXNA-UHFFFAOYSA-N 278.330 -0.167 50 20 CBGD O=C(NNC(=O)[C@@H]1CCNC1=O)NC1CCCCC1 854192033 DUWLUDKWJKAFCW-SECBINFHSA-N 268.317 -0.214 50 20 CBGD N#CSCCCNC(=O)C1=NN2CCCN=C2N1 854359921 CCNKVDCYAXBDPL-UHFFFAOYSA-N 266.330 -0.315 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H](O)C1CC1 854388173 AGCNFJVTFZXSQX-SECBINFHSA-N 274.317 -0.306 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@@H]2CCCCO2)N1 858279125 RPNYRNHFMAODSK-DTWKUNHWSA-N 284.316 -0.836 50 20 CBGD CO[C@H]1C[C@H](NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1 858571428 FTICSPYJWWRSCR-ZYUZMQFOSA-N 271.317 -0.081 50 20 CBGD Cc1ccnn1CC(=O)NNC(=O)NCC1CC1 858782180 QDOMCTZUVKAUQL-UHFFFAOYSA-N 251.290 -0.068 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2ccc(F)cn2)N1 860910837 UFYNEHPWHIKBHX-ZETCQYMHSA-N 281.247 -0.348 50 20 CBGD CC(C)(C)C(=O)NCC(=O)NNC(=O)c1cn[nH]c1 862473016 AIHOGVJGCPHNGV-UHFFFAOYSA-N 267.289 -0.667 50 20 CBGD COC(=O)C1=C(C)O[C@H](COc2ccc(B(O)O)cc2)C1 863865381 DFAIXKKBGRDVTE-LBPRGKRZSA-N 292.096 -0.019 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@H]2C[C@@]23CCOC3)n[nH]1 869016022 YTRMICRSLCTNLD-GXFFZTMASA-N 278.312 -0.165 50 20 CBGD Cc1cc(CC(=O)NNC(=O)C2CSC2)n[nH]1 869016188 GXRINLZJUUMFOU-UHFFFAOYSA-N 254.315 -0.229 50 20 CBGD CCC(=O)N[C@@H](CCSC)C(=O)NN(C)C[C@H](C)O 910170669 PEFOHZFIJRGLGJ-UWVGGRQHSA-N 291.417 -0.022 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=S)NCc2ccccc2)N1 913439183 BUOIASHMPKKXBM-SNVBAGLBSA-N 292.364 -0.040 50 20 CBGD CCO[C@@H](CC)C(=O)NNC(=O)CN1CCCC1=O 913730294 PNZXFROXIITYNW-VIFPVBQESA-N 271.317 -0.429 50 20 CBGD Cc1cnccc1C(=O)NNC(=O)CN1CCCC1=O 913731936 BCDYWZLUERUQSQ-UHFFFAOYSA-N 276.296 -0.227 50 20 CBGD CC(C)NC(=O)C(=O)NN=C1C(=O)Nc2cc(O)ccc21 915955414 CRIUSDVGTLLSNW-UHFFFAOYSA-N 290.279 -0.311 50 20 CBGD CC(C)NC(=S)NNC(=O)c1cccc(C(N)=O)n1 1116525283 DMEZHLXJZCMCBS-UHFFFAOYSA-N 281.341 -0.302 50 20 CBGD CN(C)C(=O)CNC(=O)C(=O)NNc1cc(Cl)ccn1 1116711840 DRHMKTTYJUVODD-UHFFFAOYSA-N 299.718 -0.618 50 20 CBGD NC(=O)[C@@H](NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 1118952091 RCOLCGZATXBWEH-KOLCDFICSA-N 276.296 -0.888 50 20 CBGD O=S(=O)(CC[C@H]1CCOC1)N1CC[C@H](B(O)O)C1 1118975946 SGYAIFIYKJUGLC-ZJUUUORDSA-N 277.151 -0.709 50 20 CBGD CCc1ncc(C=NNC(=O)[C@H]2CCC(=O)N2)cn1 1261832779 AUBBFCDFKCYUJN-SECBINFHSA-N 261.285 -0.232 50 20 CBGD CN1CCN(CC(=O)NNC(=O)CC(F)(F)F)CC1 1318715881 HWOGJSZOHBABBG-UHFFFAOYSA-N 282.266 -0.666 50 20 CBGD Cc1n[nH]cc1C=NNC(=O)Cc1cc(O)nc(O)n1 1319167033 IVKLPJDVWHLGAT-UHFFFAOYSA-N 276.256 -0.388 50 20 CBGD CC(C)CC(=O)NNC(=O)C(=O)Nc1ccon1 1320349053 PSNDODFFLPPLNV-UHFFFAOYSA-N 254.246 -0.193 50 20 CBGD CSCC[C@@H](O)C(=O)NNC(=O)Cc1cc[nH]n1 1320395309 QBBMSFPVQWOMHC-MRVPVSSYSA-N 272.330 -0.786 50 20 CBGD CNC(=O)c1cccc(C(=O)NNC(=O)OC)n1 1321183346 CWVMJGAJEIVHDZ-UHFFFAOYSA-N 252.230 -0.558 50 20 CBGD COc1ccnc(NNC(=O)CO[C@H]2CCOC2)n1 1322305329 XIDKXSZNGBAYJS-QMMMGPOBSA-N 268.273 -0.266 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc(O)n1 1324230352 ZELIHOKMMXFRTA-SSDOTTSWSA-N 281.268 -0.110 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 1325859109 BZRHMKJWBNXFSL-SECBINFHSA-N 297.336 -0.092 50 20 CBGD Cc1nonc1CC(=O)NNC(=S)NC(C)C 1327251170 MMVHAJNEBUZDKZ-UHFFFAOYSA-N 257.319 -0.176 50 20 CBGD CCc1nc(C)c(CNC(=O)NNC(=O)C(=O)OC)o1 1327720607 OKHGUDLVWUXDOW-UHFFFAOYSA-N 284.272 -0.451 50 20 CBGD O=C(NNc1cccnn1)[C@@H]1CCc2nnnn2CC1 1328709741 IOHURGHWUFAJKI-MRVPVSSYSA-N 274.288 -0.441 50 20 CBGD CC(=O)c1cc(C(=O)N2CC[C@H](B(O)O)C2)n(C)c1 1329671809 MXTTYPNROQKEGO-JTQLQIEISA-N 264.090 -0.083 50 20 CBGD Cc1cc(=NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc(C)[nH]1 1329980802 YELIDYNLZVYPFX-JTQLQIEISA-N 291.311 -0.448 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCC2CCOCC2)N1 1331521031 OQGFXVMYHDHFCL-SECBINFHSA-N 284.316 -0.978 50 20 CBGD C[C@@H](O)CN(C)NC(=O)Cn1cc(C2CC2)nn1 1332629272 JAIYRQOMWSBCGV-MRVPVSSYSA-N 253.306 -0.501 50 20 CBGD CNC(=O)NNC(=O)CCN1CCN(C(C)C)CC1 1333992615 BVZHWNSBLURWON-UHFFFAOYSA-N 271.365 -0.637 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1cc(OC)n[nH]1 1351578284 GTOJIGWRMRZHSC-UHFFFAOYSA-N 271.233 -0.866 50 20 CBGD O=C(Cn1cnnn1)NNC(=S)Nc1ccccn1 1352253277 DUUSVWYTINQAPE-UHFFFAOYSA-N 278.301 -0.914 50 20 CBGD COc1cc(C)nc(NNC(=O)C23CC(CN2)C3)n1 1357274109 QENRAQQSHXTGOZ-UHFFFAOYSA-N 263.301 -0.011 50 20 CBGD CCn1nncc1C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1 1549317997 ZKCWMOBGUJDFLI-JQWIXIFHSA-N 292.343 -0.389 50 20 CBGD N[C@@H](CO)C(=O)NNC(=O)Cc1cccc2ccccc12 1574264375 PAIYSPCDIAWNFD-ZDUSSCGKSA-N 287.319 -0.151 50 20 CBGD Cc1cc(C(=O)NNC(=O)NCCN)sc1C=O 1579565489 NNISHFXVLHJWPL-UHFFFAOYSA-N 270.314 -0.228 50 20 CBGD CC(C)[C@H](NCC(=O)NNC(=O)C(C)(C)C)C(=O)O 1588960520 BUIUPVJNFPCQTJ-VIFPVBQESA-N 273.333 -0.121 50 20 CBGD CC(C)NC(=S)NNC(=O)Cn1ccc(C(=O)O)n1 1591660568 CICRTOUVDWWHRE-UHFFFAOYSA-N 285.329 -0.515 50 20 CBGD O=C(CC1CC1)NNC(=O)c1ccc(-c2nn[nH]n2)nc1 1592813393 APALPWXJLAXMPQ-UHFFFAOYSA-N 287.283 -0.177 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O 1596862755 JQNDDUDOHQRKGU-ZEBCKKTISA-N 278.268 -0.034 50 20 CBGD C[C@@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)C[C@H]1C(=O)O 1599858264 BRJWLMHJYQOMMG-HTRCEHHLSA-N 281.272 -0.583 50 20 CBGD Cc1ncccc1CNC(=O)NNC(=O)C(=O)O 1600752738 RNZMIYRRFHCYTH-UHFFFAOYSA-N 252.230 -0.695 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@]1(C(=O)O)CC1(C)C 1604057826 VHEGOFUMJJEMON-NSHDSACASA-N 257.290 -0.804 50 20 CBGD Cn1ncc(C(=O)O)c1C=NNC(=O)c1ccnnc1 1776081268 HCWJATQEDHKKSL-UHFFFAOYSA-N 274.240 -0.328 50 20 CBGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)NC1CC1 7436939 RHLXOGJLEVBVRS-NSHDSACASA-N 289.291 -0.584 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@H]2COCCO2)cc1 32668369 JYLDDTLJJFPGOT-LLVKDONJSA-N 280.280 -0.128 50 20 CBGD C=CCNS(=O)(=O)c1cccc(C(=O)NNC(C)=O)c1 48089265 SOXZCGNBHSSSDP-UHFFFAOYSA-N 297.336 -0.068 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCN2CCCC2=O)[nH]n1 153292255 OWFKCOHAMCRVTI-UHFFFAOYSA-N 279.300 -0.508 50 20 CBGD CN(C)CC(=O)NNC(=O)CN1CCc2ccccc21 265083219 QZIWSHVKAVVZOZ-UHFFFAOYSA-N 276.340 -0.242 50 20 CBGD CCO/C=C(\C#N)C(=O)N(C)C[C@@H](O)CN1CCOCC1 269456940 FXCFDIDNSBPLPC-XZHRJIJLSA-N 297.355 -0.418 50 20 CBGD C[C@H](Sc1nnnn1C1CC1)C(=O)NN(C)C(N)=O 272186302 MMUCQBIJGRQMTA-YFKPBYRVSA-N 285.333 -0.470 50 20 CBGD COc1cccc(NNC(=O)[C@H](C)NC(N)=O)n1 272573399 WJDPIYCBOPOWIV-LURJTMIESA-N 253.262 -0.410 50 20 CBGD COc1cc(NC(=O)NNC(=O)CN(C)C)ncn1 274835553 NIAFNLWVZJAHNF-UHFFFAOYSA-N 268.277 -0.801 50 20 CBGD CN(CC(=O)NNC(=O)OC(C)(C)C)S(C)(=O)=O 490753346 FUGRDPOLZMFMDE-UHFFFAOYSA-N 281.334 -0.566 50 20 CBGD CC[C@@H](NC(=O)c1cccc(B(O)O)c1)c1noc(C)n1 584955635 SGHLQCGOBXHRSL-LLVKDONJSA-N 289.100 -0.061 50 20 CBGD CN(C[C@@H]1CCCN1C)C(=O)c1cc(B(O)O)ccc1F 585000178 KGTTWUULVTYPNE-NSHDSACASA-N 294.135 -0.328 50 20 CBGD C[C@H](C#N)N(C(=O)c1cccc(B(O)O)c1)C1CC1 585007654 YNYXKFCWQKBULB-SECBINFHSA-N 258.086 -0.117 50 20 CBGD OB(O)c1cccc(CNCCOC[C@@H]2CCOC2)c1 585020045 MYBMYUZKORDQGA-CYBMUJFWSA-N 279.145 -0.491 50 20 CBGD CNC(=O)[C@H]1CCC[C@H]1NCc1ccc(B(O)O)cc1 585031512 GDQFCNXWUVTJGN-QWHCGFSZSA-N 276.145 -0.629 50 20 CBGD C[C@H]1[C@H](NCc2ccc(B(O)O)cc2)CCCN1C 585034620 KPQVYTVGRQMAPL-SMDDNHRTSA-N 262.162 -0.061 50 20 CBGD CN1CC=C(CNCc2cccc(B(O)O)c2)CC1 585035323 SEWYXPHCUHFVGB-UHFFFAOYSA-N 260.146 -0.282 50 20 CBGD C[C@H](CNCc1cccc(B(O)O)c1)[S@](C)=O 585035338 SJFJGMIOIBUULL-XLFHBGCDSA-N 255.148 -0.777 50 20 CBGD OB(O)c1ccc(CNCCN2CC=CCC2)c(F)c1 585038591 CNOHINBDQQEVEP-UHFFFAOYSA-N 278.136 -0.143 50 20 CBGD CCO[C@@H]1COC[C@H]1NCc1ccc(B(O)O)cc1 585044385 HPQFYCGNSVWIJW-CHWSQXEVSA-N 265.118 -0.740 50 20 CBGD O=C([C@H]1COc2ccccc2O1)N1CC[C@H](B(O)O)C1 585071162 NRJLTVHQAUKKPF-JOYOIKCWSA-N 277.085 -0.098 50 20 CBGD C[C@H](CNS(=O)(=O)CCCCl)S(C)(=O)=O 697591404 JMPPIDRSZOUOGT-SSDOTTSWSA-N 277.795 -0.032 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(C(=O)OC)CC1 732194854 AVIJTAMTRUSYER-VIFPVBQESA-N 285.344 -0.183 50 20 CBGD Cn1cc(C(=O)NNC(=O)CNCC(F)(F)F)cn1 735473503 YQAZHEJRZWDCIQ-UHFFFAOYSA-N 279.222 -0.667 50 20 CBGD CNC(=O)CCCNC(=O)NNc1nc(C)cc(OC)n1 746757421 NTTFNKHSRMJMBA-UHFFFAOYSA-N 296.331 -0.054 50 20 CBGD COCc1cccc(NC(=O)NNC(=O)CO)c1 755687590 SCMUNWRKSZZKHU-UHFFFAOYSA-N 253.258 -0.022 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)C(C)(C)C(N)=O 769904421 IBAKMMGQGPTHPS-UHFFFAOYSA-N 293.323 -0.103 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H](CCO)C1CC1 771797706 BNYDQISIDVSAMN-WCBMZHEXSA-N 257.334 -0.317 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCC(C)(C)O 776259526 NZWKGUQGVCFJBR-VIFPVBQESA-N 291.348 -0.471 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](n2cncn2)C1 776876136 DPHCMPFEJQXBPS-UWVGGRQHSA-N 280.332 -0.529 50 20 CBGD CCOc1cnc(C(=O)NNC(=O)c2cc(C)[nH]n2)cn1 777812116 DXTMMNBRHIQQAK-UHFFFAOYSA-N 290.283 -0.018 50 20 CBGD CC(C)[C@@H](NC1CCOCC1)C(=O)NN(C)C(N)=O 782124594 OWIDYURPKBYVSK-SNVBAGLBSA-N 272.349 -0.179 50 20 CBGD CCCS(=O)(=O)/C(C#N)=C/c1cn(C)c(=O)n(C)c1=O 786042866 LPMPBXUBMDBWDA-UXBLZVDNSA-N 297.336 -0.227 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@H](C)[S@@](=O)[C@H](C)C1 792391816 HWPKOQNRZDMABS-HVEIVCGCSA-N 289.401 -0.226 50 20 CBGD C[C@H]1COCCC1=NNC(=O)[C@@H]1CCS(=O)(=O)C1 794487680 BBKDNDRBJINLJC-DTWKUNHWSA-N 274.342 -0.050 50 20 CBGD Cc1nc2ccccn2c1C(=O)NNC(=O)c1cn(C)nn1 808376539 IINIATDLIASFLT-UHFFFAOYSA-N 299.294 -0.154 50 20 CBGD CC(CCCO)=NNC(=O)N[C@H]1CCS(=O)(=O)C1 814816383 SUGXHNWIOIKYHZ-VIFPVBQESA-N 277.346 -0.379 50 20 CBGD CN1CCCC[C@@H](C(=O)NNC(=O)[C@H]2CCCCO2)C1=O 823237119 MSWNFYOLOQBELF-WDEREUQCSA-N 297.355 -0.039 50 20 CBGD CO[C@@H]1COC[C@H]1NC(=O)NNc1ncncc1F 827474124 QVCFEWRFGSOLNA-HTQZYQBOSA-N 271.252 -0.344 50 20 CBGD COCCCNC(=O)NN=C(C)c1cnn(C)n1 834946842 WFFHRZUNFZESBO-UHFFFAOYSA-N 254.294 -0.125 50 20 CBGD COCCOCCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843646799 KCGYOAZWYKENHO-NXEZZACHSA-N 274.317 -0.388 50 20 CBGD CC[C@@H](C)C(=O)NNS(=O)(=O)N1CCCOCC1 844651179 VHLGQJVRCVAVBY-SECBINFHSA-N 279.362 -0.380 50 20 CBGD Cc1ccc(F)cc1NNC(=O)C(=O)NCC(=O)N(C)C 850586066 KPXMOFJYDINYDZ-UHFFFAOYSA-N 296.302 -0.218 50 20 CBGD CCCNC(=O)CNC(=O)NNC(=O)c1cccc(F)n1 851920769 FJBQVSMZSIFDPM-UHFFFAOYSA-N 297.290 -0.309 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2nccn2C1)c1ncccn1 854952390 KOCDGRBDMSPXCD-VIFPVBQESA-N 286.295 -0.303 50 20 CBGD C[C@H](OC[C@H]1CCCO1)C(=O)NNC(=O)c1cc[nH]n1 855359167 HTTUKJAOUDFGHT-DTWKUNHWSA-N 282.300 -0.245 50 20 CBGD C[C@]1(CNC(=O)CNC(=O)CN)C[C@H]1Br 857007996 ZQQGXRBBVOCANN-HZGVNTEJSA-N 278.150 -0.649 50 20 CBGD CC1=C(C(=O)NNc2cnnn2C)C(=O)OC1(C)C 857271743 XLCYGIJJZWDDOB-UHFFFAOYSA-N 265.273 -0.090 50 20 CBGD CO[C@H](C)[C@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858380616 FTCJPTUFMDCYRA-XLPZGREQSA-N 272.305 -0.981 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)C2[C@@H]3CCC[C@@H]23)N1 862456158 MXVLIGNJONGRRP-BWZBUEFSSA-N 251.286 -0.542 50 20 CBGD C=C(C)[C@H](CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)OCC 862458122 XUMADDPBIFXWHW-UWVGGRQHSA-N 283.328 -0.216 50 20 CBGD CCOC(=O)N1CC[C@@H](NCc2ccc(B(O)O)cc2)C1 863890608 AJPGOHKTKAWWRN-CYBMUJFWSA-N 292.144 -0.313 50 20 CBGD O=C(NNC(=O)C1CSC1)C(=O)N1CCCC1 865070021 DAIJAPMZACABKL-UHFFFAOYSA-N 257.315 -0.881 50 20 CBGD O=C(/C=C\CN1CCOCC1)NNC(=O)c1cn[nH]c1 869385246 LQUJRKMDLMRFOT-UPHRSURJSA-N 279.300 -0.941 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCN(C)C2=O)cc1O 882050323 UBROSOJEKIMLGT-JTQLQIEISA-N 291.307 -0.060 50 20 CBGD COc1nn(C)cc1C(=O)NNC(=O)N1CCN(C)CC1 883969648 QFTHRQVHKBSUBC-UHFFFAOYSA-N 296.331 -0.970 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnn(C2CCC2)c1 894134774 NQWCXHQTODNOFY-UHFFFAOYSA-N 265.317 -0.069 50 20 CBGD O=C1CSC[C@@H](C(=O)NNc2nccnc2Cl)N1 894972424 BIFARIZPNBFEQH-YFKPBYRVSA-N 287.732 -0.195 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1ccncc1)n1cncn1 913962196 JCPRNWZSYGYLBF-QMMMGPOBSA-N 260.257 -0.305 50 20 CBGD O=C(NN=C1CN2CCC1CC2)[C@H]1CCS(=O)(=O)C1 915049547 TYEVSBRGTWLOBB-JTQLQIEISA-N 285.369 -0.381 50 20 CBGD CC(=O)NNC(=O)Nc1cccc(OCC(N)=O)c1 916254851 QPLMEEDIAFXLTC-UHFFFAOYSA-N 266.257 -0.277 50 20 CBGD Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=O)c1cc[nH]n1 918690656 MEQHUAOKTCMMCE-UHFFFAOYSA-N 278.228 -0.269 50 20 CBGD CCO[C@H](CC)C(=O)NNC(=O)C(=O)NC(C)C 919973712 BCBZUEUYTOKTQC-MRVPVSSYSA-N 259.306 -0.527 50 20 CBGD CCCNC(=O)NNC(=O)CCCN1C(=O)CNC1=O 921042411 STPPNBRFLOCUIR-UHFFFAOYSA-N 285.304 -0.941 50 20 CBGD O=C(NN=C[C@H]1CCOC1)N[C@H]1CCS(=O)(=O)C1 1115892707 ISAYCNCIHZVHSD-BDAKNGLRSA-N 275.330 -0.505 50 20 CBGD COC(=O)NN=C1CCC2(CC1)NC(=O)NC2=O 1116391485 FRTYQTHMKHWNME-UHFFFAOYSA-N 254.246 -0.149 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc[n+]([O-])c1 1256692894 TUMLUEGXVVZLOO-UHFFFAOYSA-N 273.252 -0.397 50 20 CBGD CC(=O)NNC(=O)CSc1nnnn1CC(F)(F)F 1261252874 BSZUTOYQUFVKQN-UHFFFAOYSA-N 298.250 -0.505 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc(C)c(C(N)=O)c1 1317825185 XOGHFQAYAUXOPW-UHFFFAOYSA-N 271.298 -0.577 50 20 CBGD Cc1[nH]ccc1C(=O)NNC(=O)C(=O)NC(C)C 1319089272 OELCDNCIUKXHRH-UHFFFAOYSA-N 252.274 -0.391 50 20 CBGD CCNc1nc(C(=O)NNC(=O)C(=O)NC2CC2)cs1 1319817290 DQHDYNHNSKIICJ-UHFFFAOYSA-N 297.340 -0.386 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)c1cnccc1C 1323365674 YFCUAESCTPBGIC-QMMMGPOBSA-N 280.284 -0.046 50 20 CBGD O=C(CC[C@H]1CCOC1)NNC(=O)Cc1cc[nH]n1 1325321097 JIJCWBXVLMLCEO-VIFPVBQESA-N 266.301 -0.084 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](CN)C1CCCCC1 1325323304 FQDWRWKDZQXZAB-SECBINFHSA-N 286.332 -0.603 50 20 CBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ncnc2[nH]cnc12 1327884878 ATSSMIVEBHAKGJ-PHDIDXHHSA-N 275.272 -0.693 50 20 CBGD C=C(C)CONC(=O)NNC(=O)C(=O)NC1CC1 1328678090 DTKDMKIQGSDVOV-UHFFFAOYSA-N 256.262 -0.897 50 20 CBGD Cc1c[nH]nc1C=NNC(=O)[C@H]1CCS(=O)(=O)C1 1330310190 FCIBTFDOABWQEU-QMMMGPOBSA-N 270.314 -0.397 50 20 CBGD O=C(NNC(=O)N1[C@H]2CC[C@H]1COC2)c1cn[nH]c1 1331537165 PNGSBGUQUAQEGK-IUCAKERBSA-N 265.273 -0.373 50 20 CBGD C/C=C/C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1331912911 WEPBPQCVPBEMEZ-TYWZFMJISA-N 261.303 -0.920 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCn2ccnc2C1 1332175281 MRSYWVYWPLMIOW-VHSXEESVSA-N 252.318 -0.211 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1cnn(C)c1 1334906281 INUSWLOBLBDKDU-IONNQARKSA-N 294.315 -0.910 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(CCC#N)CC1 1349658843 QCKGURLJFJETBU-LLVKDONJSA-N 281.360 -0.536 50 20 CBGD Cn1nncc1NNC(=O)CC[C@]1(C)CCC(=O)N1 1351216886 PDLRVZOFWBHOSS-NSHDSACASA-N 266.305 -0.293 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@H]1C[C@@H](F)CN1 1574303068 YLNQWFLILIHQBG-NXEZZACHSA-N 266.276 -0.529 50 20 CBGD C[C@@H](C(=O)O)n1cccc1C=NNC(=O)[C@@H]1CCC(=O)N1 1589539180 DDPCQLCYUYAQNI-WPRPVWTQSA-N 292.295 -0.138 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1n[nH]c(O)n1 1593165290 AJINKGGRTRJXJC-UHFFFAOYSA-N 287.243 -0.553 50 20 CBGD O=C(NNC(=O)c1csc(C(=O)O)n1)c1cc[nH]n1 1601555432 AXZFGPSTTZHLKM-UHFFFAOYSA-N 281.253 -0.361 50 20 CBGD O=C1CC[C@H](C(=O)NN=C2CC[C@H](C(=O)O)C2)N1 1602639228 ZDNRDLXUGCIMJK-POYBYMJQSA-N 253.258 -0.378 50 20 CBGD O=C(NNC(=O)C1CCC1)NC1CC(C(=O)O)C1 1608477430 KHEFYMBTSWUXGV-UHFFFAOYSA-N 255.274 -0.020 50 20 CBGD CNC(=O)NNC(=O)c1ccc(NS(C)(=O)=O)cc1 48949823 YMJHFZCMGFOZHV-UHFFFAOYSA-N 286.313 -0.368 50 20 CBGD COCCOc1cncc(C(=O)NNC(=O)CN(C)C)c1 282537945 SFOSDLVMAUXLHX-UHFFFAOYSA-N 296.327 -0.571 50 20 CBGD CC(C)(C)[C@H](NC(N)=O)C(=O)NNC(=O)c1cccnc1 282798386 WYFDNRVRDNNDBP-SECBINFHSA-N 293.327 -0.074 50 20 CBGD CO[C@](C)(C(=O)NNC(=O)C(=O)NC1CC1)C1CC1 290936941 JZENPERUZNXCBW-LBPRGKRZSA-N 269.301 -0.773 50 20 CBGD CCN1C[C@H](C(=O)NNc2ncncc2F)CC1=O 293961623 JQTIGNUVWYSXIH-SSDOTTSWSA-N 267.264 -0.073 50 20 CBGD COc1ccccc1OCC(=O)NNC(=O)[C@H](C)O 294356737 MIHXSFAZRXGJDK-QMMMGPOBSA-N 268.269 -0.398 50 20 CBGD CCO/C=C(\C#N)C(=O)NC[C@](C)(O)C(=O)OCC 490907355 HFZUYCOWIBBSMV-CRALRDPISA-N 270.285 -0.139 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 495446992 BLOQKVJBRJXINS-UHFFFAOYSA-N 295.251 -0.217 50 20 CBGD C[C@@H]1C[S@](=O)CCN1C(=O)c1cc(B(O)O)ccc1F 584951868 ZYAXJRJTYUQJKF-ZPWHCFADSA-N 299.132 -0.902 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@H]1N(C)C 584956351 WFBCBUAAYGQVTC-TVQRCGJNSA-N 294.135 -0.472 50 20 CBGD C[C@@]1(CO)CCC[C@H]1NC(=O)c1cc(B(O)O)ccc1F 584962087 HTLFAHXNXGSAAT-OCCSQVGLSA-N 295.119 -0.214 50 20 CBGD N#C[C@]1(F)CCN(C(=O)c2cccc(B(O)O)c2)C1 584978835 DUACZXIIKDIGTO-GFCCVEGCSA-N 262.049 -0.556 50 20 CBGD CN(CC1(N(C)C)CCC1)C(=O)c1cccc(B(O)O)c1 584979204 NICCCTPRFSANLT-UHFFFAOYSA-N 290.172 -0.077 50 20 CBGD CCN(C)C(=O)[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F 584980094 QCWNBJRYMZTDHB-MRVPVSSYSA-N 296.107 -0.898 50 20 CBGD CO[C@@H](C)CN(C)C(=O)c1cccc(B(O)O)c1 584988991 HZCKQGWPJQCWJB-VIFPVBQESA-N 251.091 -0.527 50 20 CBGD CN(CCCNCc1ccc(B(O)O)o1)CC(F)(F)F 585016225 UPBBBDXNXAFMFP-UHFFFAOYSA-N 294.082 -0.067 50 20 CBGD C[C@H](Cn1cccn1)NCc1ccc(B(O)O)cc1F 585018096 QBXNVIDEBCZZPJ-SNVBAGLBSA-N 277.108 -0.120 50 20 CBGD CC(C)[C@](C)(O)CNCc1ccc(B(O)O)cc1 585023719 PASYDYUTTWDWNT-CYBMUJFWSA-N 251.135 -0.137 50 20 CBGD C[C@H]1CCCN1S(=O)(=O)N1CC[C@@H](B(O)O)C1 585058981 WAMWFVFDKJUGJZ-DTWKUNHWSA-N 262.140 -0.736 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)C(C)(C)NS(C)(=O)=O 743337356 QHLBSEPFKCBTIX-UHFFFAOYSA-N 293.389 -0.102 50 20 CBGD CN(CC(=O)NNC(=O)Cc1cc[nH]n1)[C@H]1CCSC1 755275512 HSSDSLRGSJBDQA-JTQLQIEISA-N 297.384 -0.463 50 20 CBGD Cc1ccc(NNC(=O)NCc2nnn(C)n2)nn1 787446695 XWCUSHICOARFBK-UHFFFAOYSA-N 263.265 -0.865 50 20 CBGD CCNC(=O)CNC(=O)NNc1ccc(OC)cn1 787750939 YRAMTTABAWNIRQ-UHFFFAOYSA-N 267.289 -0.148 50 20 CBGD CCOC(=O)C1(CC(=O)NNC(=O)CN(C)C)CCC1 789902801 KABSANXPDJBOES-UHFFFAOYSA-N 285.344 -0.181 50 20 CBGD CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)C(=O)NC(C)C 792853938 NYNWCIYRORVWHZ-DTWKUNHWSA-N 273.333 -0.281 50 20 CBGD COC[C@H](O)CNC(=O)NNC(=O)c1ccccc1 801740777 MZBWABZEMFEFBI-SNVBAGLBSA-N 267.285 -0.362 50 20 CBGD Cc1nn(C)cc1S(=O)(=O)NNC(=O)NCC1CC1 808082280 XBVLDTRKWVSILS-UHFFFAOYSA-N 287.345 -0.369 50 20 CBGD Cc1ccc(C(=O)NN=C2C(=O)NC(=O)NC2=O)o1 814223162 CSQWKIDTQFXFLJ-UHFFFAOYSA-N 264.197 -0.960 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cc(C(=O)OC)no1 814901048 VAUDXNGYGLOBNB-UHFFFAOYSA-N 284.228 -0.733 50 20 CBGD O=C(CN1CCCC1)NNC(=O)NCC(F)(F)F 822671196 HLGFXJOSGLWGPA-UHFFFAOYSA-N 268.239 -0.025 50 20 CBGD COC(=O)N(C)NC(=O)/C=C1/SCC(=O)N1C 822838020 MBENQYCPIKQSEC-XBXARRHUSA-N 259.287 -0.238 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)[C@@H]1CN2CCCN1CC2 833242259 JDJGZCGJBLOLPY-NWDGAFQWSA-N 296.371 -0.907 50 20 CBGD CC(=NNC(=O)NCC(=O)O)c1csc(N)n1 833384092 BFHHLFFJDJTYQB-UHFFFAOYSA-N 257.275 -0.167 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CN1CCCCC1=O 843642830 HACGYGOIQJNJJX-UWVGGRQHSA-N 283.328 -0.429 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc2ncccn2n1 843653335 DNBUFESHVTZUIP-RKDXNWHRSA-N 289.295 -0.085 50 20 CBGD COCCCNC(=S)N(C)NC(=O)c1cc(O)n[nH]1 854280177 MSIRIPMYOKYYJE-UHFFFAOYSA-N 287.345 -0.397 50 20 CBGD CC1=NO[C@H](C(=O)NNC(=O)[C@@H]2CCCCO2)C1 854682797 GUIBNTVFRTZGKE-IUCAKERBSA-N 255.274 -0.132 50 20 CBGD O=C(NNc1nccnc1Cl)C1(n2cnnn2)CC1 857126790 HZJVYZVBBDHFEC-UHFFFAOYSA-N 280.679 -0.251 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@]2(O)CCOC2)n1 857459905 SZDINSDEFKGQAH-NSHDSACASA-N 268.273 -0.612 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCc2cnc(N)nc2C1 857924301 UFKCZCFMSRHHAO-UHFFFAOYSA-N 292.343 -0.780 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NO[C@H]2CCCCO2)N1 858409950 RIIZQRQFNLQVBF-CBAPKCEASA-N 286.288 -0.946 50 20 CBGD CC[C@@H]1CCCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858695310 FGEGCAWXRAFONA-BDAKNGLRSA-N 268.317 -0.120 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC(F)(F)CC2)N1 858699817 XYPVYHUZDCXOLQ-SSDOTTSWSA-N 290.270 -0.263 50 20 CBGD CSC1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCC1 862458903 JQLATNZSXGXUHB-ZETCQYMHSA-N 271.342 -0.302 50 20 CBGD CO[C@@H](C(=O)NNC(=O)c1cn[nH]c1)c1cnn(C)c1 862470501 QGDTYFRBHJNRQT-SECBINFHSA-N 278.272 -0.708 50 20 CBGD COC(=O)c1ccc(CN2CC[C@@H](B(O)O)C2)[nH]1 864234626 XXWUJOVZKVWVHH-MRVPVSSYSA-N 252.079 -0.150 50 20 CBGD COCCOCC(=O)NN=C(C)c1ccn(C)n1 872400177 PDMUOGGHFWJIRU-UHFFFAOYSA-N 254.290 -0.077 50 20 CBGD OB(O)c1cccc(CN[C@H]2CCN(CC3CC3)C2)c1 877024854 QBNSNCINRXWNRC-HNNXBMFYSA-N 274.173 -0.060 50 20 CBGD O=C(CO)NNC(=O)c1ccnn1CC1CCC1 879395308 GONHNBORQYJSRS-UHFFFAOYSA-N 252.274 -0.564 50 20 CBGD Cc1cnc(C(=O)NNC(=O)C2CCOCC2)cn1 883060118 YBDLISQPJMYXQD-UHFFFAOYSA-N 264.285 -0.027 50 20 CBGD C[C@@]1(C(=O)Nn2c(O)nnc2O)C[C@@H]1Br 908371980 LIQXPEDPRPKLNT-CLTAVNFZSA-N 277.078 -0.067 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccon1 1118182432 CDQKNNVGBGEYAW-IONNQARKSA-N 268.273 -0.070 50 20 CBGD CCNC(=O)N(C)NC(=O)C1(C#N)CCOCC1 1319941078 YCHKBCHNEQANQQ-UHFFFAOYSA-N 254.290 -0.001 50 20 CBGD COCCOc1ccc(NC(=O)C(=O)NNC(C)=O)cc1 1320224467 RRYLKUYJNQYAJN-UHFFFAOYSA-N 295.295 -0.182 50 20 CBGD CC(C)(C(N)=O)C(=O)NNc1ncnc2[nH]cnc12 1326466679 RWODADWZHCGBKV-UHFFFAOYSA-N 263.261 -0.693 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccn(C)n1 1329239015 HGZUVZBBYSFGSX-WPRPVWTQSA-N 281.316 -0.325 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N(C)Cc1cn(C)nn1 1329911381 LMUFSUOZSJDRFL-PSASIEDQSA-N 296.331 -0.587 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cnc(C3CC3)[nH]2)N1 1330107557 FAWMHEDGBGZBSU-SSDOTTSWSA-N 277.284 -0.673 50 20 CBGD CCOc1ccc(C(=O)NNC(=O)COCCOC)cn1 1332171004 WYIYRRJMSRDYOC-UHFFFAOYSA-N 297.311 -0.096 50 20 CBGD COCCN(C)NC(=O)c1cn(C)c2c(cnn2C)c1=O 1346492967 WZGNSBQZBFVQRJ-UHFFFAOYSA-N 293.327 -0.505 50 20 CBGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@@H]1C[C@@H]1F 1348864841 YOXDGOXITIWVBW-RQJHMYQMSA-N 285.300 -0.017 50 20 CBGD C[C@H](CO)N(C)NC(=O)CCc1nc(N(C)C)no1 1352230237 ONCRNFUSGLWWLD-MRVPVSSYSA-N 271.321 -0.588 50 20 CBGD CO[C@@H]1CN[C@](C)(C(=O)NNC(=O)Cc2ccccn2)C1 1573961881 VOVLZGSZERZOPN-FZMZJTMJSA-N 292.339 -0.462 50 20 CBGD CO[C@H]1CN[C@@H](C(=O)NNC(=O)c2ccc(C)o2)C1 1574001534 COTNHIUIYHMNPA-RKDXNWHRSA-N 267.285 -0.274 50 20 CBGD C[C@]1(C(=O)NNc2nncc(N)c2Cl)CNCCO1 1576350175 LYDZBAVLPMTFDK-SNVBAGLBSA-N 286.723 -0.466 50 20 CBGD C/C=C\[C@@H]1CNC[C@H]1C(=O)NNC(=O)c1cc[nH]n1 1576925898 WDEPHUGJTBEAOU-BNEREYBLSA-N 263.301 -0.418 50 20 CBGD CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NN 1577922235 VHUIJQDVUBZAOR-LURJTMIESA-N 261.278 -0.567 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCC(=O)O 1588707638 HWHQHVKPMSTADH-UHFFFAOYSA-N 289.288 -0.477 50 20 CBGD Cn1nncc1NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1 1601045011 RGWFVZLXOWBPDT-NKWVEPMBSA-N 253.262 -0.241 50 20 CBGD O=C(O)CN1CCC[C@H](C(=O)NNc2cccnn2)C1=O 1606253718 WSHKJJZHZMMMTA-MRVPVSSYSA-N 293.283 -0.757 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cncc(C(=O)O)c1 1609878775 LNIUKDGVRLGJIH-GMSGAONNSA-N 293.279 -0.034 50 20 CBGD CSC[C@@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 66833329 MBVMSZJLGWBJSZ-MRVPVSSYSA-N 273.358 -0.245 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CCOc2ccccc21 180960482 RPUVTEMVGIMKDP-SECBINFHSA-N 250.254 -0.308 50 20 CBGD O=C(CO)NNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 182753787 WDZGUYUCZZASLY-UHFFFAOYSA-N 292.251 -0.242 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)N1 264354153 DLWXGTMTXVIERW-SECBINFHSA-N 292.251 -0.366 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNc1ncnc2nc[nH]c12 270528920 DGXOKVINLUQTGO-YFKPBYRVSA-N 279.260 -0.460 50 20 CBGD C=C(C)[C@H]1OCC[C@H]1C(=O)NNc1ccc(C(N)=O)nn1 278461629 AYNXFDMNLUPMMC-LDYMZIIASA-N 291.311 0.000 50 20 CBGD C[C@@H](O)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 292316632 VOOJOWBACYFZJW-MRVPVSSYSA-N 287.341 -0.239 50 20 CBGD O=C(Cn1cc(C2CC2)nn1)Nc1cccc(B(O)O)c1 584911972 JOGDYAPQMITOPP-UHFFFAOYSA-N 286.100 -0.526 50 20 CBGD O=C(NC[C@@H]1CCCC[C@H]1O)c1cccc(B(O)O)c1 584948526 CZLBLHVIKFVOSV-WCQYABFASA-N 277.129 -0.353 50 20 CBGD O=C(N[C@H](CCO)C1CC1)c1ccc(B(O)O)cc1 584962717 KBUKLXIHMROGFK-GFCCVEGCSA-N 263.102 -0.743 50 20 CBGD CC[C@@](C)(CNC(=O)c1cccc(B(O)O)c1)[C@@H](C)O 584964302 BKDCELLFSWFDMG-YGRLFVJLSA-N 279.145 -0.107 50 20 CBGD COCC1(C)CN(C(=O)c2ccc(B(O)O)cc2)C1 584983927 RRFQEEHPXXTGNA-UHFFFAOYSA-N 263.102 -0.525 50 20 CBGD CC[C@@H](NC(=O)c1ccc(B(O)O)cc1)[C@H](O)C(C)C 585001770 CUPIXPMEJLASLY-CHWSQXEVSA-N 279.145 -0.108 50 20 CBGD CN1CC[C@H](N(C)C(=O)c2ccc(B(O)O)c(F)c2)C1 585008292 IVYTULLYODWPJW-JTQLQIEISA-N 280.108 -0.718 50 20 CBGD OB(O)c1ccccc1CNCCCOC[C@@H]1CCOC1 585025167 NEAXDINSKDHFEX-ZDUSSCGKSA-N 293.172 -0.101 50 20 CBGD OC[C@@H](NCc1ccc(B(O)O)o1)c1ccsc1 585036084 DJJINIBVFINFPK-SNVBAGLBSA-N 267.115 -0.156 50 20 CBGD CCCC[C@@H](NCc1ccc(B(O)O)o1)[C@@H](C)O 585046183 RUNNGMFEYMYCFZ-MWLCHTKSSA-N 255.123 -0.011 50 20 CBGD O=C(NCB(O)O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 585059270 HEVUWNWJMJKTGJ-MNOVXSKESA-N 282.149 -0.457 50 20 CBGD CN(C)CCNC(=S)NNC(=O)Cc1cccnc1 728798253 HYGUPBUHLVBDCM-UHFFFAOYSA-N 281.385 -0.319 50 20 CBGD CC(C)CNC(=S)NNC(=O)C(=O)NC1CC1 747756860 XWNRRUBTAXHSFB-UHFFFAOYSA-N 258.347 -0.584 50 20 CBGD C=CCCOCC(=O)NNC(=O)C(=O)N1CCCC1 748245844 SGRJOAAKVXCBHN-UHFFFAOYSA-N 269.301 -0.651 50 20 CBGD CC1(C)C[C@@H]1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 751563289 QZDKABPKPKAUOF-HTQZYQBOSA-N 274.342 -0.385 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@H]1CCSC1 762174104 WGFJCWOWPONMEW-QMMMGPOBSA-N 259.331 -0.188 50 20 CBGD C[C@H](C(=O)NNC(=O)C(C)(C)O)c1cnn(C)c1 768246500 JMQCQCIEWCWPSN-ZETCQYMHSA-N 254.290 -0.558 50 20 CBGD CC(C)(O)C(=O)NNC(=O)C1(C(=O)NC2CC2)CCC1 768254638 AXIUMCVVMUFCAR-UHFFFAOYSA-N 283.328 -0.646 50 20 CBGD CCCNC(=O)CCC(=O)NNC(=O)N1CCN(C)CC1 773671826 CFGALAKJGVEOGJ-UHFFFAOYSA-N 299.375 -0.719 50 20 CBGD CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)CO)C1 777781719 JDADRDICHXAZGY-SECBINFHSA-N 285.344 -0.589 50 20 CBGD Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNC(=O)CO 777782555 IDQSVCUPFUOTHC-ZETCQYMHSA-N 268.317 -0.645 50 20 CBGD CC(=NNC(=O)C(=O)NC1CC1)c1cnn(C)c1C 778540473 PCVQKUOQAFCSPC-UHFFFAOYSA-N 263.301 -0.153 50 20 CBGD COCCOc1cc(OC)ccc1C(=O)NNC(=O)CO 788591624 UFEJFQYVNCSJRQ-UHFFFAOYSA-N 298.295 -0.526 50 20 CBGD COCCn1cc(C=NNC(=O)N2CCN(C)CC2)cn1 790173521 JPJWVRMQXKZYNL-UHFFFAOYSA-N 294.359 -0.180 50 20 CBGD Cn1cnc(C(=O)NNC(=O)Cc2cn3ccccc3n2)n1 810465677 OGTOZDRYYZTYAT-UHFFFAOYSA-N 299.294 -0.534 50 20 CBGD CNC(=O)[C@H](C)NC(=O)NNC(=O)C1CCCC1 814324656 PYHSLTBGWKFIKW-ZETCQYMHSA-N 256.306 -0.359 50 20 CBGD CC[S@](=O)CCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 826025121 SRHPLGBKPHTOOE-MGOSUKFUSA-N 291.373 -0.490 50 20 CBGD COCCNCCNC(=O)NNC(=O)CC(C)(C)C 841968026 LFQFHEFVGNOOFZ-UHFFFAOYSA-N 274.365 -0.011 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CN(CCN)CCO)cc1 843368408 RYKWYPLIGHNDHB-UHFFFAOYSA-N 294.355 -0.991 50 20 CBGD COCCN(C)NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 848378394 PGKILNMQLLJLCZ-PHIMTYICSA-N 295.339 -0.453 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=O)c1cccc(OC)c1O 857012964 ZULLQSCONJTZTL-SNVBAGLBSA-N 298.295 -0.177 50 20 CBGD O=C(C[C@H]1CCCC[C@@H]1O)NNC(=O)[C@H]1CCC(=O)N1 862458544 GKOPGSWRUJVAQW-BBBLOLIVSA-N 283.328 -0.646 50 20 CBGD C[C@@]1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1(F)F 862462886 ZYZPSSPKUHGOFH-CDUCUWFYSA-N 261.228 -0.542 50 20 CBGD C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)c2cn[nH]c2)O1 862470969 ZRGZXOXKNRVBCG-ZXFLCMHBSA-N 252.274 -0.016 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCCS(=O)(=O)NC 863432157 UCVFPFXVLCCONB-CMDGGOBGSA-N 275.330 -0.514 50 20 CBGD O=C1O[C@H](COc2ccc(B(O)O)cc2)CC12CC2 863865235 AFADVUHLBGEJST-NSHDSACASA-N 262.070 -0.159 50 20 CBGD CC1(C)OC[C@@H](CNC(=O)c2cccc(B(O)O)c2)O1 863876136 OTIYLZGTMBBDOG-LLVKDONJSA-N 279.101 -0.752 50 20 CBGD COC[C@@H](C)CC(=O)NNC(=O)c1cccnn1 882059415 WNKPGWUOSWHWEK-QMMMGPOBSA-N 252.274 -0.090 50 20 CBGD Cn1cc(C[C@@H](CO)NS(=O)(=O)CCCCl)cn1 882270136 DFNDKHHTSMIMBH-JTQLQIEISA-N 295.792 -0.128 50 20 CBGD CNC(=O)NCC(=O)NNC(=S)NC(C)(C)C 899996902 XVPLDTBWCDMAMD-UHFFFAOYSA-N 261.351 -0.791 50 20 CBGD CN1CCO[C@H](C(=O)NN=c2cc[nH]cc2Cl)C1=O 907405430 BHJRMFSZOKTLCE-SECBINFHSA-N 284.703 -0.543 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 910175676 ROMLISWETHMYDY-QMMMGPOBSA-N 291.307 -0.130 50 20 CBGD O=C1CSC[C@@H](C(=O)NNC(=O)c2ccccc2)N1 929154091 UJGLAOZZAQYOCT-VIFPVBQESA-N 279.321 -0.321 50 20 CBGD O=C(CO)NNC(=O)CCc1nc(O)c2ccccc2n1 1116554183 JJMVDJCTMHTWIY-UHFFFAOYSA-N 290.279 -0.592 50 20 CBGD Cn1nnc2c1CC[C@@H](NC(=O)NNC(=O)C1CCC1)C2 1118393558 FVNXRDVGSFLBCI-SECBINFHSA-N 292.343 -0.197 50 20 CBGD CCCCNC(=O)NNC(=O)c1cnnc(O)c1 1118635093 SWIHEKRAKYHNRL-UHFFFAOYSA-N 253.262 -0.074 50 20 CBGD O=C(CCCn1cccn1)N1CC[C@H](B(O)O)C1 1118914589 CBLLVNIQHHRXCW-JTQLQIEISA-N 251.095 -0.261 50 20 CBGD CN(C)C(=O)c1ccc(N2CC[C@H](B(O)O)C2)nc1 1118916391 NEVIWBLVKZUEMR-JTQLQIEISA-N 263.106 -0.164 50 20 CBGD Cc1nccc(CCC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 1118943054 JNSRJOGQQJFGCL-SNVBAGLBSA-N 291.311 -0.856 50 20 CBGD Cn1cc([C@H](O)C(=O)NNc2ncncc2F)cn1 1261247985 QZKJUBFJLIVABF-QMMMGPOBSA-N 266.236 -0.474 50 20 CBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNc1ccccn1 1263774214 RHAHEJLLOGVSKG-MNOVXSKESA-N 261.329 -0.087 50 20 CBGD COC(=O)C(=O)NNC(=S)NCc1ccc(OC)cc1 1319043453 ADGSOZBSEQOULM-UHFFFAOYSA-N 297.336 -0.137 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccc(F)cn1 1319270308 USMUJOPQQWINIW-UHFFFAOYSA-N 270.220 -0.776 50 20 CBGD C[C@@H](C[S@@](C)=O)NC(=O)NNC(=O)Cc1cccnc1 1325269601 UCVZSOLWZUHXFC-GWNMQOMSSA-N 298.368 -0.279 50 20 CBGD Cc1cc(CN)cc(NC(=O)NNC(=O)CCO)c1 1327962540 XRZVSFKVWPCAQK-UHFFFAOYSA-N 266.301 -0.011 50 20 CBGD Cn1nccc1COCC(=O)N1CC[C@H](B(O)O)C1 1329215614 PQSANWRPTSHMIE-VIFPVBQESA-N 267.094 -0.988 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CCNc1ccccc1 1329589908 QPMACXBRQMEPRD-UHFFFAOYSA-N 299.352 -0.319 50 20 CBGD CC(C)CS(=O)(=O)CCC(=O)N1CC[C@H](B(O)O)C1 1329673030 UZLDZPJTUQUHCM-JTQLQIEISA-N 291.178 -0.477 50 20 CBGD COC(=O)C(=O)NN=Cc1cnc(N2CCOCC2)s1 1335767433 AIYRPCXHGVVNBC-UHFFFAOYSA-N 298.324 -0.397 50 20 CBGD O=C(NNc1cccnn1)[C@@H]1OC[C@@H]2COCC[C@@H]21 1337223599 NGUKOMJPAHDQIG-ATZCPNFKSA-N 264.285 -0.029 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc(C)nc1O 1337961453 SGEGXCOLGWJLHZ-UHFFFAOYSA-N 252.230 -0.799 50 20 CBGD CCNC(=O)N(C)NC(=O)Cn1cc([C@H](C)O)nn1 1342693152 IFWVMNICJJHBQK-ZETCQYMHSA-N 270.293 -0.976 50 20 CBGD COc1nccnc1NNC(=O)Cc1nnc(C)o1 1348018950 BQQRVUMVNMPCJB-UHFFFAOYSA-N 264.245 -0.138 50 20 CBGD C[C@]1(C(=O)NNC(=O)NCCN)C[C@H]1Br 1576351352 YMMQHASAMOMKLZ-XRGYYRRGSA-N 279.138 -0.551 50 20 CBGD CCc1noc(CCCC(=O)NNC(=O)[C@@H]2CCN2)n1 1578336281 IDSFMEKYTWJABT-QMMMGPOBSA-N 281.316 -0.536 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccn(CCCN)n1 1578565346 NLVOTHDVMQMRSR-UHFFFAOYSA-N 270.362 -0.687 50 20 CBGD NCCCC(=O)NNC(=O)Cc1cc(F)ccc1O 1580289195 LWTLHGCAKBDSHW-UHFFFAOYSA-N 269.276 -0.040 50 20 CBGD C[C@@H](C(=O)O)C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1588574088 WJGNITJLPYIHRR-WCTZXXKLSA-N 256.258 -0.578 50 20 CBGD CC(C)(C(N)=O)C(=O)NNc1cccc(-c2nn[nH]n2)c1 1589065704 MHFFCLCQDZLQMA-UHFFFAOYSA-N 289.299 -0.179 50 20 CBGD O=C(O)CN1CCC(NCc2cccc(B(O)O)c2)CC1 1595079545 ONDOXGFROBKUOD-UHFFFAOYSA-N 292.144 -0.995 50 20 CBGD CNC(=S)N(C)NC(=O)Cn1cccc(C(=O)O)c1=O 1598662370 XWCLUIRKIYAIMO-UHFFFAOYSA-N 298.324 -0.986 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)N2CC[C@@](O)(C(=O)O)C2)cn1 1600944968 CRTBOZLMNODLME-CFDVYZKQSA-N 290.279 -0.625 50 20 CBGD O=C(Cn1cc(C(=O)O)cn1)NNC(=O)C1CCC1 1601379509 VRXYHPNUVVYNSD-UHFFFAOYSA-N 266.257 -0.471 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@H]1C(=O)O)c1cccc(F)n1 1601555706 FZKGVFFUSCTLDD-NTSWFWBYSA-N 267.216 -0.298 50 20 CBGD O=C(NC[C@H]1OCc2ccccc21)NNC(=O)C(=O)O 1608438916 LBIFANNZCLQTJL-SECBINFHSA-N 279.252 -0.327 50 20 CBGD O=C(NC[C@H]1CCO[C@H]1C(=O)O)NNc1cccnn1 1608461598 QKSXTUVLNMFOJG-VXNVDRBHSA-N 281.272 -0.408 50 20 CBGD C[C@@H]1CN(C)C[C@H](C(=O)NN=Cc2c[nH]c(C(=O)O)c2)O1 1776092422 LTNRLXHGSVLEON-LDYMZIIASA-N 294.311 -0.118 50 20 CBGD CC(=O)NNC(=O)CSCC(=O)Nc1cc(C)on1 48089256 MSQSRFAKGSZNPQ-UHFFFAOYSA-N 286.313 -0.178 50 20 CBGD C=CCNC(=O)CNC(=O)NNC(=O)c1ccc(C)o1 181215722 IZDFLLYDCWCYJP-UHFFFAOYSA-N 280.284 -0.166 50 20 CBGD CCCc1nnc(S)n1CC(=O)NNC(=O)OC 276968834 ZZBUIXGDMAQSQK-UHFFFAOYSA-N 273.318 -0.094 50 20 CBGD C#CCN1CCN(C(=O)CN2CC=C(C#N)CC2)CC1 490933970 GXNCPIGUEXMEKL-UHFFFAOYSA-N 272.352 -0.081 50 20 CBGD COC(=O)N(C)NC(=O)CS(=O)(=O)C(C)C 497071484 KERQIKVHWKQRDZ-UHFFFAOYSA-N 252.292 -0.461 50 20 CBGD COC(=O)N(C)NC(=O)[C@H](NS(C)(=O)=O)C(C)C 497287685 CGFCICCRALDWMW-SSDOTTSWSA-N 281.334 -0.710 50 20 CBGD O=C(NC[C@H]1CCCCO1)c1ccc(B(O)O)cc1 584935405 JIQPSWPYSXDXDR-GFCCVEGCSA-N 263.102 -0.335 50 20 CBGD CCCN1CCCN(C(=O)c2ccc(B(O)O)cc2)CC1 584944937 NRYFACQIBPRULK-UHFFFAOYSA-N 290.172 -0.076 50 20 CBGD CC[C@H]1COCCN1C(=O)c1ccc(B(O)O)cc1 584951973 QFPFXDPAJUHRID-LBPRGKRZSA-N 263.102 -0.383 50 20 CBGD CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 584964594 KEGPHYMMJJTKOV-LBPRGKRZSA-N 290.128 -0.893 50 20 CBGD CCC1(CO)CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584968201 JELRXVFYGKWWCD-UHFFFAOYSA-N 291.156 -0.009 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)CC[C@H]1O 584972972 AQZKWZISXAWRPC-PRHODGIISA-N 281.092 -0.652 50 20 CBGD CN(CCCCCO)C(=O)c1cc(B(O)O)ccc1F 584983586 PJUDOACBURABCF-UHFFFAOYSA-N 283.108 -0.260 50 20 CBGD O=C(c1cccc(B(O)O)c1)N(C1CC1)C1COC1 584994871 OXSBBGUQYSFJQJ-UHFFFAOYSA-N 261.086 -0.630 50 20 CBGD CC[C@@H](C)NC(=O)[C@H](C)NCc1ccc(B(O)O)o1 585032989 TTZMCIJGQBLDSW-BDAKNGLRSA-N 268.122 -0.648 50 20 CBGD C[C@@H]1[C@@H](NCc2ccc(B(O)O)cc2)CCCN1C 585034619 KPQVYTVGRQMAPL-RISCZKNCSA-N 262.162 -0.061 50 20 CBGD CCc1nc(CNCc2cccc(B(O)O)c2)n[nH]1 585043735 VCRVJTLTVNJACJ-UHFFFAOYSA-N 260.106 -0.663 50 20 CBGD O=C(NCB(O)O)c1ccc2nc(O)n(C3CC3)c2c1 585063307 WYJCVJURSHIBIC-UHFFFAOYSA-N 275.073 -0.181 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cnns1 732082981 ODSBXTHNVWDEFR-UHFFFAOYSA-N 252.259 -0.356 50 20 CBGD CCn1cc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)cn1 732528463 KUAFUVPGSRNQET-JTQLQIEISA-N 299.356 -0.277 50 20 CBGD CC(C)C(=O)NNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 740738827 QWWLKLRKGYUHMA-JTQLQIEISA-N 284.360 -0.800 50 20 CBGD C[C@H]1CN(C)CC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 752163800 DQFCJBNOYFUERV-DTWKUNHWSA-N 288.373 -0.590 50 20 CBGD C[C@H]1CC(=NNC(=O)CN2CCCC2=O)CN1C 761805054 LVZQHVFHOOOEIY-VIFPVBQESA-N 252.318 -0.195 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CNC(=O)CC1CCCC1 768262023 QTJSCBATIUMBBO-UHFFFAOYSA-N 285.344 -0.399 50 20 CBGD Cn1nccc1NC(=O)NNC(=O)c1cnccn1 775753956 YVUFOVRELNRSAW-UHFFFAOYSA-N 261.245 -0.323 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](C)O[C@]2(CCOC2)C1 796556312 PPINNRVZJVYVJD-UHIISALHSA-N 299.371 -0.188 50 20 CBGD CCOC1CC(C(=O)NNC(=O)N2CCN(C)CC2)C1 807383882 QDQFAXSWKSRZNG-UHFFFAOYSA-N 284.360 -0.210 50 20 CBGD CCS(=O)(=O)CCNC(=O)NNc1ncncc1F 814296128 CNIZESOJWJOJLH-UHFFFAOYSA-N 291.308 -0.324 50 20 CBGD CN(NC(=O)CCSc1nnnn1C)C1CC1 819646256 PZFKKJKNGPZNHU-UHFFFAOYSA-N 256.335 -0.182 50 20 CBGD COc1ccccc1C(=O)NCC(=O)NN(C)[C@@H](C)CO 823987485 JJXGGDQKGCLYNM-JTQLQIEISA-N 295.339 -0.231 50 20 CBGD C[C@H](CO)N(C)NC(=O)CNC(=O)COc1ccccc1 823993111 LDQVIRRBMJLHEN-LLVKDONJSA-N 295.339 -0.475 50 20 CBGD C[C@H](CO)N(C)NC(=O)CNC(=O)c1cccc(F)c1 823993126 LNPFYCLXEUNSAW-SECBINFHSA-N 283.303 -0.101 50 20 CBGD CNC(=O)C[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 826922823 GEVWSJAJTUTBHC-XHNCKOQMSA-N 286.332 -0.734 50 20 CBGD CN(C)C(=O)Cn1cc(NC(=O)NNC(=O)O)cn1 830557300 TXZPMZJQPMDDJS-UHFFFAOYSA-N 270.249 -0.725 50 20 CBGD COC(=O)[C@H]1C[C@@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)C1 840454789 LRZMIPYMZMUCJQ-AEJSXWLSSA-N 299.327 -0.163 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C1SCCCS1 841377094 HITFSUSYGJYZMG-UHFFFAOYSA-N 291.398 -0.145 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@H](C)N1 843351879 IWLMGWOUEOYQOO-IUCAKERBSA-N 254.334 -0.774 50 20 CBGD O=S(=O)(CBr)NCCN1CCNCC1 850581907 IMROLUKYIUEVKL-UHFFFAOYSA-N 286.195 -0.837 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CCCCN1C(C)=O 854925887 OPHVZPBJOBDWGS-VIFPVBQESA-N 272.374 -0.145 50 20 CBGD O=C1NCC[C@H]1C(=O)NNc1ncc(Cl)cn1 857359035 PGAUMHCKJARCTQ-ZCFIWIBFSA-N 255.665 -0.291 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCCC12OCCO2 857432968 ORYMNJLIZSSDHC-SECBINFHSA-N 299.327 -0.798 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCc2ccco2)N1 858089104 FSUBWERYPXUPHT-VIFPVBQESA-N 280.284 -0.569 50 20 CBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)c1ccccn1 858092025 LYHVEGPFFRIJRN-JTQLQIEISA-N 264.285 -0.387 50 20 CBGD CC[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)[C@@H]1CCCO1 858324242 NWTLXMBTKUUMSU-GUBZILKMSA-N 298.343 -0.447 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)C2[C@H]3CCC[C@H]23)N1 862456156 MXVLIGNJONGRRP-BIIVOSGPSA-N 251.286 -0.542 50 20 CBGD O=C(NNC(=O)[C@H]1CCCN1C1CC1)c1cn[nH]c1 862470651 UEHJHLCJYCZIIG-SNVBAGLBSA-N 263.301 -0.203 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CCN1CCOCC1 867608426 XWEGYBBMUAUVQI-UHFFFAOYSA-N 257.334 -0.098 50 20 CBGD CN1CCCC[C@H](C(=O)NNC(=O)C2CC2)C1=O 873751206 PMAVDIGBNHSCDW-SECBINFHSA-N 253.302 -0.198 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C1(CN(C)C)CC1 874441912 HCISXJVSYJGEMT-UHFFFAOYSA-N 265.317 -0.179 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)CN1CCOCC1 899996223 HAXDEAAGQNUBEM-UHFFFAOYSA-N 274.390 -0.388 50 20 CBGD C[C@]1(C(=O)NCCn2ncnn2)C[C@@H]1Br 906993210 AVUYPLKPGKEBCD-XPUUQOCRSA-N 274.122 -0.037 50 20 CBGD C[C@]1(C(=O)NCC(=O)NCCO)C[C@@H]1Br 907009804 QRABPOLDACPMRQ-RCOVLWMOSA-N 279.134 -0.615 50 20 CBGD COc1ccc(NNC(=O)[C@H]2OCCN(C)C2=O)nc1 907590946 SJHCLKIBZPGRTI-SNVBAGLBSA-N 280.284 -0.610 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)C)S(C)(=O)=O 918584462 ORFBQEBXFOLLIR-UHFFFAOYSA-N 265.335 -0.929 50 20 CBGD CCNC(=O)NNC(=O)CN(C)C(=O)[C@H](C)n1cccn1 920858127 UOXBQNOVGNGIBR-VIFPVBQESA-N 296.331 -0.747 50 20 CBGD O=C(CN1CCc2nnc(O)cc2C1)NNC(=O)C1CC1 1116675585 KULKEPFOAZEVBD-UHFFFAOYSA-N 291.311 -0.902 50 20 CBGD CCN1CCCN(C(=O)NNC(=O)c2cn[nH]c2)CC1=O 1118811357 VPUFMOQCAOCIQM-UHFFFAOYSA-N 294.315 -0.682 50 20 CBGD O=C([C@@H]1CCc2cncn2C1)N1CC[C@H](B(O)O)C1 1119540719 PTWZXGWOJVEAGI-ZJUUUORDSA-N 263.106 -0.479 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCc3nncn3C2)cn1 1261241035 VYKIWSKNNVFTFU-QMMMGPOBSA-N 289.299 -0.965 50 20 CBGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNC(=O)N(C)C 1318342314 NQIDOYGOBJJUKB-UHFFFAOYSA-N 292.299 -0.824 50 20 CBGD CCNC(=O)NNC(=O)c1ncc(C(N)=O)cc1Cl 1320058839 PUVZFCBJHSMMCD-UHFFFAOYSA-N 285.691 -0.202 50 20 CBGD N#Cc1ccc(C(=O)NNC(=S)NCC(N)=O)cc1 1325835181 MVJLOVPDZGPYEY-UHFFFAOYSA-N 277.309 -0.848 50 20 CBGD NS(=O)(=O)c1cc(C(=O)NNc2ncccn2)ccn1 1325840612 ZHVDLCONVXNJDS-UHFFFAOYSA-N 294.296 -0.724 50 20 CBGD Nc1cnnc(NNC(=O)[C@H]2CCCN2)c1Cl 1326302324 GJZOBUUKJZHYQG-ZCFIWIBFSA-N 256.697 -0.093 50 20 CBGD O=C(NNC(=S)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1327065600 HRAJHCJKICVVHG-QMMMGPOBSA-N 291.398 -0.674 50 20 CBGD CCOc1cc(C(=O)NNC(=O)CN(C)C)[nH]n1 1348469261 ZEAUKUGETREDTC-UHFFFAOYSA-N 255.278 -0.869 50 20 CBGD CC[C@H](C(=O)NNC(=O)[C@H](N)CO)c1ccccc1 1573659333 CKSJMXWTGBDMLQ-WDEREUQCSA-N 265.313 -0.353 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)[C@@H]1CCCN(CCN)C1=O 1575126556 XDZYZSAQBGNINC-JTQLQIEISA-N 298.387 -0.233 50 20 CBGD Cc1ccc(/C=C\C(=O)NNC(=O)[C@H]2CCN2)cn1 1579679595 VJFFACIULJVRKE-DOGVGXBMSA-N 260.297 -0.087 50 20 CBGD O=C(NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)C1CCNCC1 1580732381 BDKIXNYUMOPHPZ-DVVUODLYSA-N 265.313 -0.642 50 20 CBGD O=C(NNC(=O)C1CC1)C(=O)Nc1cccc(C(=O)O)c1 1594782721 ISDPVMUIUVZFOX-UHFFFAOYSA-N 291.263 -0.119 50 20 CBGD Cc1nc(C)c(CCNC(=O)NNC(=O)C(=O)O)s1 1600692559 OMUXJYRDYQGGIL-UHFFFAOYSA-N 286.313 -0.283 50 20 CBGD O=C(O)Cc1occc1C(=O)NNC(=O)N1CCOCC1 1602155127 FXABIDAJHNXOFV-UHFFFAOYSA-N 297.267 -0.407 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCCC(=O)O 1603480559 WWJHASIEGISRID-YUMQZZPRSA-N 258.274 -0.186 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CSCC(=O)O)n1 1605320407 LKZDDDGGHHPQDF-UHFFFAOYSA-N 283.309 -0.031 50 20 CBGD COC(=O)[C@@H](NNC(=O)C(=O)O)c1ccsc1 1606341682 GSRLPSQDYXLBMO-LURJTMIESA-N 258.255 -0.332 50 20 CBGD COc1ccnc(CNC(=O)NNC(=O)C(=O)O)c1F 1607350875 JHTIFKLJAJBZHF-UHFFFAOYSA-N 286.219 -0.856 50 20 CBGD O=C(O)C[C@H](NCC(=O)NNC(=O)C1CC1)C1CC1 1610754087 JZFJRUPANBFFFS-VIFPVBQESA-N 269.301 -0.613 50 20 CBGD CCNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 43466044 FOKUTAMTJXLJQT-UHFFFAOYSA-N 299.356 -0.056 50 20 CBGD CNC(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C 48949966 YUDFTXSMRCVSSM-ZCFIWIBFSA-N 260.294 -0.140 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCOC2)n1 49353955 IWAZDTHHLZGCFK-SNVBAGLBSA-N 266.301 -0.316 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cscn1 103007120 BLLQMDPLKVTVLP-UHFFFAOYSA-N 294.292 -0.073 50 20 CBGD CC(=O)NNC(=O)Nc1cc(-n2cnnn2)ccc1F 162984490 BWMCQOLVENDNDR-UHFFFAOYSA-N 279.235 -0.026 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CCOC2)n1 179149739 XFWXMZZQJDKBMV-SNVBAGLBSA-N 281.316 -0.381 50 20 CBGD COc1ccnc(NNC(=O)[C@@H](C)CN2CCOCC2)n1 271151928 UXXNYHDPUNBFLK-JTQLQIEISA-N 295.343 -0.103 50 20 CBGD C[C@@H](O)C(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C 273315985 WILWJIZBJKADHG-RNFRBKRXSA-N 275.305 -0.572 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 299385557 PKZWLBHACNEXJP-SECBINFHSA-N 294.311 -0.070 50 20 CBGD C[C@](O)(C(=O)Nc1cccc(B(O)O)c1)C1CCC1 584910403 BCJYXLJJVZMAKQ-CYBMUJFWSA-N 263.102 -0.144 50 20 CBGD CCOCCNC(=O)c1cc(B(O)O)ccc1F 584931109 ZLLCLWYVEKEBCZ-UHFFFAOYSA-N 255.054 -0.728 50 20 CBGD COCC(C)(C)NC(=O)c1cccc(B(O)O)c1 584939356 JSOVFWKBNYNJCT-UHFFFAOYSA-N 251.091 -0.479 50 20 CBGD C[C@@H](O)C1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584950680 YLRDWKGVSDIBHB-SECBINFHSA-N 295.119 -0.262 50 20 CBGD CCC[C@@](C)(CO)NC(=O)c1cc(B(O)O)ccc1F 584972359 UQSGFUHCJHSLJE-ZDUSSCGKSA-N 283.108 -0.214 50 20 CBGD OB(O)c1ccc(CNCCCN2CCOCC2)c(F)c1 585014498 TZDLZNXCXUKCJA-UHFFFAOYSA-N 296.151 -0.683 50 20 CBGD CC(C)NC(=O)CCNCc1ccccc1B(O)O 585015931 OBTKNNZSJZIAKQ-UHFFFAOYSA-N 264.134 -0.629 50 20 CBGD CCN1CCC[C@@H]1CNCc1ccccc1B(O)O 585016569 QXWALSSAHFNYSY-CYBMUJFWSA-N 262.162 -0.060 50 20 CBGD COCCOC[C@@H](C)NCc1ccc(B(O)O)cc1 585027422 SLFUZSBVWILDAO-LLVKDONJSA-N 267.134 -0.493 50 20 CBGD CC[C@H](C)NC(=O)[C@H](C)NCc1ccc(B(O)O)cc1 585032292 FDTLSKLAXUSDRN-QWRGUYRKSA-N 278.161 -0.241 50 20 CBGD OC[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NCc1cccc(B(O)O)c1 585039791 BPGQJFXCWMCDNA-NZBPQXDJSA-N 275.157 -0.137 50 20 CBGD Cn1nccc1S(=O)(=O)NNC(=O)NCc1ccco1 727362061 MVUGXZKOHGMVAK-UHFFFAOYSA-N 299.312 -0.294 50 20 CBGD Cc1ncc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)s1 728433555 CUYCGEWDJWWAGZ-ZCFIWIBFSA-N 290.370 -0.161 50 20 CBGD CCN1C[C@@H](C(=O)NNC(=O)c2c[nH]nc2C)CC1=O 732084474 JRTAMYSOLKXVMV-QMMMGPOBSA-N 279.300 -0.652 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc(C2CC2)n(C)n1 743332432 CETOELRHUUDERC-UHFFFAOYSA-N 265.317 -0.380 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1ccc(C(N)=O)cn1 749564248 WLJHKVFNLJQDBO-UHFFFAOYSA-N 287.279 -0.406 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H](COC)C1CC1 754203497 JJPVIVNKOWZUGR-WCBMZHEXSA-N 257.334 -0.053 50 20 CBGD NC(=O)CCOc1ccccc1NC(=O)NNC(=O)CO 756065890 LEMBGEAZPJQUGB-UHFFFAOYSA-N 296.283 -0.914 50 20 CBGD CC(=NNC(=O)C(N)=O)c1cc(F)cc(F)c1O 757451499 RBPAVKSEQAOHJJ-UHFFFAOYSA-N 257.196 -0.004 50 20 CBGD O=C(NNc1ncccc1[N+](=O)[O-])[C@H]1COCCO1 759301841 GCPVNHKSPFIZNQ-MRVPVSSYSA-N 268.229 -0.152 50 20 CBGD O=C(NNC(=O)C(=O)N1CCCC1)NC1CC=CC1 760212966 WEWUVURXHHKEFR-UHFFFAOYSA-N 266.301 -0.342 50 20 CBGD Cn1cc(C(=O)NNC(=O)CO)c2ccccc2c1=O 760874611 TUMRNWCUOYGSQP-UHFFFAOYSA-N 275.264 -0.708 50 20 CBGD CCCS(=O)(=O)CC(=O)NNc1nccnc1OC 764470360 YOUVAZPGIURXHB-UHFFFAOYSA-N 288.329 -0.247 50 20 CBGD CC(=O)NNC(=O)Nc1cnn(CCN2CCOCC2)c1 765199985 DHGRUVUKGFXCIR-UHFFFAOYSA-N 296.331 -0.612 50 20 CBGD COC(=O)CCCN1CCC(=NNC(=O)CO)CC1 776781072 WRTJNAHEODJEFE-UHFFFAOYSA-N 271.317 -0.500 50 20 CBGD CN(C)C(=O)COc1ccccc1C(=O)NN(C)C(N)=O 778411143 AKDITHAXTUPECK-UHFFFAOYSA-N 294.311 -0.191 50 20 CBGD CC[C@@H](C)CCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 806787772 MVGBXYBACJVVSW-BDAKNGLRSA-N 293.389 -0.102 50 20 CBGD COc1ccnc(C(=O)NNC(=O)N2CCN(C)CC2)c1 807378844 MVPQFIILBJTETQ-UHFFFAOYSA-N 293.327 -0.308 50 20 CBGD CON=CC(=O)NNC(=O)Cc1cn2ccccc2n1 809704663 FCGXUFYHTHRISU-UHFFFAOYSA-N 275.268 -0.344 50 20 CBGD COc1cnc(C(=O)NNC(=O)c2ccccn2)nc1 814683529 FIPPJJHAJOCETR-UHFFFAOYSA-N 273.252 -0.045 50 20 CBGD CCCNC(=O)NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 821113709 DNCJUPVANOUWMD-UHFFFAOYSA-N 278.276 -0.451 50 20 CBGD CCNC(=O)NNC(=O)[C@H](C)n1nnnc1C(C)(C)C 822781883 LPENZIBRSSYVBG-ZETCQYMHSA-N 283.336 -0.118 50 20 CBGD CCOC(=O)N1CSC[C@H]1C(=O)NN(C)[C@H](C)CO 823384498 MQMNRJGEHCLSQH-BDAKNGLRSA-N 291.373 -0.138 50 20 CBGD CCN(CCO)NC(=O)[C@H](C)NC(=O)c1ccoc1 823852481 IGQHIBNZPWFYKX-VIFPVBQESA-N 269.301 -0.257 50 20 CBGD C[C@H](CO)N(C)NC(=O)C(C)(C)CN1CCOCC1 823908000 RMGUFRLMKMKRQQ-LLVKDONJSA-N 273.377 -0.311 50 20 CBGD COc1cccc(C(=O)NCC(=O)NN(C)[C@@H](C)CO)c1 823992961 HFJQAVJVSYBFLP-JTQLQIEISA-N 295.339 -0.231 50 20 CBGD C[C@H](NNC(=O)c1cc(=O)n(C)cn1)C(F)(F)F 824831469 OANRTEMSSFJPDH-YFKPBYRVSA-N 264.207 -0.035 50 20 CBGD COc1c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(C)nn1C 843654069 PQIZAMZMMWEUHG-BDAKNGLRSA-N 296.327 -0.077 50 20 CBGD C[C@H](CNC(=O)NNc1ccncn1)S(C)(=O)=O 852712126 GJGGPCKDXMWSKX-SSDOTTSWSA-N 273.318 -0.464 50 20 CBGD COCCCNC(=S)N(C)NC(=O)c1ncccn1 854282558 ZVMVSUTXAVFZAB-UHFFFAOYSA-N 283.357 -0.036 50 20 CBGD O=C(NNc1cccc(F)n1)C1=NN2CCCN=C2N1 854442547 CBABILIOLLVYDX-UHFFFAOYSA-N 277.263 -0.358 50 20 CBGD CC(=O)NC(C)(C)C(=O)NNC(=O)c1cc[nH]n1 855358400 IZFVICQZOHCLQO-UHFFFAOYSA-N 253.262 -0.915 50 20 CBGD CN(C[C@@H]1CCCN1C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858702271 GNLLJEMFLSPFPJ-UWVGGRQHSA-N 297.359 -0.968 50 20 CBGD COC(=O)c1cnn(CC(=O)NNC(=O)C2CCC2)c1 859329228 ZAIHUALHUASPBD-UHFFFAOYSA-N 280.284 -0.383 50 20 CBGD Cc1ccc(/C=C\C(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 862461896 SKPJWIBOCZVLSW-VLWUPBBWSA-N 288.307 -0.171 50 20 CBGD O=C(NNC(=O)c1cc(O)nc(C2CC2)n1)c1cn[nH]c1 862470940 YRVHRBAPLGXJAC-UHFFFAOYSA-N 288.267 -0.143 50 20 CBGD COC(=O)CC1CCC(=NNC(=O)C(N)=O)CC1 863066069 UFUMDQISZPOCRB-UHFFFAOYSA-N 255.274 -0.303 50 20 CBGD Cc1ccc(C=NNC(=O)CS(C)(=O)=O)nc1 863187171 AMTQVPMUJJPMNQ-UHFFFAOYSA-N 255.299 -0.115 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=S)NC2CCC2)N1 863204110 PUUTTWYVDMYAMK-ZETCQYMHSA-N 256.331 -0.687 50 20 CBGD CCN1C[C@H](NC(=O)NNC(=O)C2CCOCC2)CC1=O 883677067 FEGRRJSJAIURDA-SNVBAGLBSA-N 298.343 -0.636 50 20 CBGD O=C(NNc1cnccn1)C1CN([C@@H]2CCOC2)C1 896380532 KNIYCVUOXKELSD-SNVBAGLBSA-N 263.301 -0.360 50 20 CBGD CO[C@@H](C(=O)NN(C)C[C@@H](C)O)c1cnn(C)c1 910150386 QTHQSDUKAIXDFA-PSASIEDQSA-N 256.306 -0.549 50 20 CBGD CC(C)CCC(=O)NCC(=O)NN(C)C[C@@H](C)O 910165438 KJKJUKWHUMDSTQ-SNVBAGLBSA-N 259.350 -0.117 50 20 CBGD CCOCC(=O)NNC(=O)NCc1nnc(C)s1 1116516690 KWTNCXPONYXOKB-UHFFFAOYSA-N 273.318 -0.287 50 20 CBGD CCc1[nH]ccc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1117723284 COHALMASZRXCHP-MRVPVSSYSA-N 299.352 -0.227 50 20 CBGD COC(=O)CC(C)(C)N(C)C(=O)c1ccc(B(O)O)cc1 1118967540 FBCSKYIFOFPKOY-UHFFFAOYSA-N 293.128 -0.220 50 20 CBGD CNc1nnc(CC(=O)NNC(=O)N(C)C)s1 1320278442 NDNVSABKIGZNTP-UHFFFAOYSA-N 258.307 -0.575 50 20 CBGD CN(NC(=O)C1CCC2(CC1)NC(=O)NC2=O)C1CC1 1325866007 ZUNOJVDPHCSIBE-UHFFFAOYSA-N 280.328 -0.120 50 20 CBGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NN)cc1 1326270386 MWQGLLUCVOXATD-UHFFFAOYSA-N 285.325 -0.848 50 20 CBGD CC(=O)NCCNC(=O)CCC(=O)NN(C)C1CC1 1326617232 LWNOPCYJVJQNNO-UHFFFAOYSA-N 270.333 -0.856 50 20 CBGD Nc1cnnc(NNC(=O)C[C@H]2CCC(=O)N2)c1Cl 1328276653 RADZNBCNCMHGEA-RXMQYKEDSA-N 284.707 -0.176 50 20 CBGD CCn1cc(C(=O)NNC(=O)C(=O)NC(C)C)c(C)n1 1329158293 DCKMHMRPDTXZIS-UHFFFAOYSA-N 281.316 -0.503 50 20 CBGD CCOc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)[nH]n1 1329338921 LBFWNMGXEREJKY-SFYZADRCSA-N 282.300 -0.006 50 20 CBGD CCOCCNC(=S)NNC(=O)c1cnccn1 1338177430 XVBNUVIGDJFPKN-UHFFFAOYSA-N 269.330 -0.378 50 20 CBGD C[C@H]1CCOCCN1C(=O)NNC(=O)c1cn[nH]c1 1341414334 MUDPXNRESDZDPQ-QMMMGPOBSA-N 267.289 -0.125 50 20 CBGD O=C(NNC(=O)[C@@]1(F)CCNC1)[C@@H]1C[C@H]2CC[C@H]1O2 1574334686 UGFSGCSAFRNXFR-MFYTUXHUSA-N 271.292 -0.597 50 20 CBGD C[C@H](CN(C)C(=O)c1cccc(B(O)O)c1)C(=O)O 1589031560 RHXJVYILBKJMSP-MRVPVSSYSA-N 265.074 -0.841 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1CC=C(C(=O)O)C1 1594645961 VKBAPEDXLDTDCG-HGNGGELXSA-N 297.311 -0.085 50 20 CBGD CCCNC(=O)NNC(=O)CC[C@@H]1C[C@H](C(=O)O)CO1 1595925935 OFYTURTWGYPQNA-DTWKUNHWSA-N 287.316 -0.003 50 20 CBGD CCNC(=O)NNC(=O)c1csc(-c2nn[nH]n2)c1 1604354872 CQIMJLAUAKJPIK-UHFFFAOYSA-N 281.301 -0.108 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CC[C@H]2C(=O)O)ccc1=O 1605481158 ODXMSQCADLJOPL-DTWKUNHWSA-N 293.279 -0.743 50 20 CBGD O=C(Cc1ccccc1C(=O)O)NNC(=O)c1ncon1 1605719626 JQZNXWMNJJMSRO-UHFFFAOYSA-N 290.235 -0.229 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] 1606857457 JGQOGKUDLFOXOP-RKDXNWHRSA-N 289.255 -0.025 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 1610699378 WDDMIASCOVCKAQ-RNJXMRFFSA-N 283.284 -0.641 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccccc1C(=O)OC 48961929 SQDRWSQHVZSXCV-UHFFFAOYSA-N 287.297 -0.405 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)CCS(C)(=O)=O 68011492 CXDHCXAITDQABQ-UHFFFAOYSA-N 266.319 -0.023 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NCC(=O)NC1CC1 78945268 FUAQVWBMIODNJB-UHFFFAOYSA-N 256.306 -0.359 50 20 CBGD Cn1c(=O)ccn(CC(=O)NNC(=O)CC(C)(C)C)c1=O 103200300 INRMAIXBWCKEIJ-UHFFFAOYSA-N 296.327 -0.869 50 20 CBGD COc1cccc(NNC(=O)[C@H]2CCC(=O)N2)n1 273028109 SJFPQQUZGYCJPC-SSDOTTSWSA-N 250.258 -0.188 50 20 CBGD Cc1n[nH]c(C)c1CC(=O)NNC(=O)N1CCOCC1 276253031 SJZBKIAKYDPKPR-UHFFFAOYSA-N 281.316 -0.358 50 20 CBGD CC(C)CCC(=O)NNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 280420775 ZCFSFDVODQUOOK-DTWKUNHWSA-N 271.317 -0.397 50 20 CBGD O=C(NCCN1C(=O)CNC1=O)NNc1ncccc1F 286821329 VHEHIHSLYXFSQZ-UHFFFAOYSA-N 296.262 -0.601 50 20 CBGD C#CCN1CCC(C(=O)NNC(=O)CN(C)C)CC1 490672080 WOIULVNSGDANCE-UHFFFAOYSA-N 266.345 -0.959 50 20 CBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NNc1nc[nH]n1)C2 496461062 UGTCMHJUQMPMFJ-YIZRAAEISA-N 292.299 -0.109 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCCN1C1CC1 584914065 OUEOTGVDLZKQGG-ZDUSSCGKSA-N 274.129 -0.068 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCCC[C@H]1CCO 584931374 RTTMGIQCFWNJLQ-NSHDSACASA-N 295.119 -0.117 50 20 CBGD O=C(NC1CCSCC1)c1ccc(B(O)O)cc1 584936222 GBKKIZZTWKQXMF-UHFFFAOYSA-N 265.143 -0.008 50 20 CBGD CCCN(CC(C)(C)O)C(=O)c1cccc(B(O)O)c1 584956890 IUXMGZNKLKCGBJ-UHFFFAOYSA-N 279.145 -0.011 50 20 CBGD O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)c1cccc(B(O)O)c1 584978807 DGIORJYUPSBPRJ-YNEHKIRRSA-N 275.113 -0.336 50 20 CBGD C[C@@H]1COCC[C@H]1CNC(=O)c1ccc(B(O)O)cc1 584988799 FAXZOTMEPSPBEB-PWSUYJOCSA-N 277.129 -0.231 50 20 CBGD CC[C@H](CNC(=O)c1ccc(B(O)O)cc1)OC 584990989 QEKMEAHVVBOHDM-LLVKDONJSA-N 251.091 -0.479 50 20 CBGD CC[C@@H](C)[C@H](O)CNCc1ccc(B(O)O)cc1 585023953 OMMHVZXISZAIGO-ZWNOBZJWSA-N 251.135 -0.137 50 20 CBGD C[C@@H](CCCO)NCc1ccc(B(O)O)cc1F 585028181 GAMNVIGSGWQJBW-VIFPVBQESA-N 255.098 -0.244 50 20 CBGD CS[C@@H](CO)[C@@H](C)NCc1ccc(B(O)O)o1 585028543 KWEIJPJGNNBNTK-APPZFPTMSA-N 259.136 -0.839 50 20 CBGD Cc1nc(C2(NCc3ccc(B(O)O)o3)CCC2)no1 585032813 MVYRWHYMPMLJDT-UHFFFAOYSA-N 277.089 -0.180 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1)c1nnc2n1CCC2 585034975 WOCCSVKMWLZHRZ-JTQLQIEISA-N 286.144 -0.245 50 20 CBGD COC1CCN(CCNCc2ccccc2B(O)O)CC1 585035181 ZCTPAGBLZRQFHG-UHFFFAOYSA-N 292.188 -0.433 50 20 CBGD O=C1[C@H](NCc2ccccc2B(O)O)C[C@@H]2CCCCN12 585044270 DHLVNVFVMLAEDG-GXTWGEPZSA-N 288.156 -0.391 50 20 CBGD CN1CC[C@@H](c2nc(-c3ccc(B(O)O)cc3)no2)C1 585050835 MRDHIOJOESIWHZ-SNVBAGLBSA-N 273.101 -0.165 50 20 CBGD O=C1CCCN1c1ccc(S(=O)(=O)NCB(O)O)cc1 585055183 ZGVGWDIMKWHPSV-UHFFFAOYSA-N 298.129 -0.896 50 20 CBGD CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H](B(O)O)C1 585055831 FQRGONJVXLQVTF-ZJUUUORDSA-N 289.166 -0.739 50 20 CBGD O=C(NCB(O)O)[C@H]1CC(=O)N(Cc2ccccc2)C1 585056362 NRIFJWTUJMDLBC-NSHDSACASA-N 276.101 -0.837 50 20 CBGD CC(C)C(=O)NNC(=O)Cc1ccc(S(N)(=O)=O)cc1 728312581 YMZZCACJRYRYFW-UHFFFAOYSA-N 299.352 -0.320 50 20 CBGD CN(C)CC(=O)NNC(=O)CCCNC(=O)C(C)(C)C 733360780 SHXSNUPVLPVBKI-UHFFFAOYSA-N 286.376 -0.362 50 20 CBGD O=C(CCn1cccc1)NNC(=O)C(=O)NC1CC1 746103820 VTSYCMFARJXMIO-UHFFFAOYSA-N 264.285 -0.696 50 20 CBGD O=C(CO)NNC(=O)c1noc(-c2cccc(F)c2)n1 753439291 XETUWTPKDQADNS-UHFFFAOYSA-N 280.215 -0.371 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CCSC1 755268745 LMWAQZWOPATUJU-ZETCQYMHSA-N 254.315 -0.147 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@H]2CCC(=O)NC2)nc1 759721924 RRBYMPOPKCWWRN-QMMMGPOBSA-N 292.295 -0.163 50 20 CBGD Cc1cc(NC(=O)C(=O)NNC(=O)CO)ccc1F 764429656 VAUDHJFPKRXRDV-UHFFFAOYSA-N 269.232 -0.788 50 20 CBGD CO[C@@H](C(=O)NNC(=O)CNC(=O)c1ccco1)C(C)C 769912620 WARPFYRJBYHNIJ-LLVKDONJSA-N 297.311 -0.172 50 20 CBGD C[C@@H](NC(=O)NNc1cccnn1)[C@H]1CN(C)CCO1 770117924 GZLNJSKHQZZCSW-NXEZZACHSA-N 280.332 -0.178 50 20 CBGD CO[C@@](C)(C(=O)NNC(=O)CO)c1ccccc1 776189076 ZPXGPVPMISSVOI-GFCCVEGCSA-N 252.270 -0.312 50 20 CBGD CCOc1cnc(C(=O)NNC(=O)NC2CC2)cn1 777778061 JJENICJOUQNHDD-UHFFFAOYSA-N 265.273 -0.018 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)c2ccccn2)on1 777786681 KAJFRITXYBCLSR-UHFFFAOYSA-N 290.235 -0.069 50 20 CBGD CC[C@@H](CO)NC(=O)NNC(=O)CNC(=O)c1ccco1 780977070 FATNKBFFZVIQFC-QMMMGPOBSA-N 298.299 -0.889 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H](C)n1cncn1 798306091 SJIAFNVCCFFKNA-ZETCQYMHSA-N 254.319 -0.480 50 20 CBGD C[C@@H](O)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2 802105507 ZUCGXYIGSPXDJZ-ZCFIWIBFSA-N 267.241 -0.051 50 20 CBGD CCN(CCO)NC(=O)C(=O)Nc1ccc(OC)cc1 823860203 OCXNDVIQCRXQAY-UHFFFAOYSA-N 281.312 -0.021 50 20 CBGD CN(C)C1(C(=O)NNC(=O)N2CCOCC2)CC1 824621560 SLDSLEWESXFCBP-UHFFFAOYSA-N 256.306 -0.846 50 20 CBGD Cc1n[nH]cc1S(=O)(=O)NNC(=O)[C@H]1CCO[C@H]1C 842591397 COYDFVUWLDGBSA-YUMQZZPRSA-N 288.329 -0.547 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843656357 ANHZYDAPNFEXQR-JXUBOQSCSA-N 256.302 -0.016 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@H]2CC[C@H]2C(N)=O)n1 848020041 HICSUOUPURCHQV-BDAKNGLRSA-N 276.296 -0.337 50 20 CBGD O=C(NC[C@H]1COCCN1)NNc1ccc(Cl)nn1 861682455 YUAXIGZNFRVXFS-ZETCQYMHSA-N 286.723 -0.256 50 20 CBGD C[C@H](Oc1ccccc1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862449255 NAEBPAHIDRPFMQ-ONGXEEELSA-N 291.307 -0.120 50 20 CBGD CSc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 862461218 OMJZMGRHKXHRIL-MRVPVSSYSA-N 294.336 -0.157 50 20 CBGD CCOc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)on1 862462129 UWKFFFTXLVCMQB-ZCFIWIBFSA-N 282.256 -0.887 50 20 CBGD CCCn1cc(C(=O)NNC(=O)c2cn[nH]c2)nn1 862470418 DJSJGYPHLMHQPB-UHFFFAOYSA-N 263.261 -0.514 50 20 CBGD COCCOCCC(=O)NNC(=O)c1cn[nH]c1 862474831 QIERPSADJVBJPL-UHFFFAOYSA-N 256.262 -0.776 50 20 CBGD COCCN1C[C@H](C(=O)NN=c2cc[nH]c(C)c2)CC1=O 862509957 YKWNMDFOOGIPFW-LLVKDONJSA-N 292.339 -0.250 50 20 CBGD C#C[C@@H](NC(=O)c1ccc(B(O)O)cc1)[C@@H]1CCCO1 863879544 VFUWSTMJGKTOAB-OLZOCXBDSA-N 273.097 -0.723 50 20 CBGD O=C(/C=C\CN1CCOCC1)NNc1cnccn1 867493976 UERZMVWCTYXNHH-UPHRSURJSA-N 263.301 -0.192 50 20 CBGD COC(=O)COCCNS(=O)(=O)CCCCl 882448666 OYVMEFPLHMAZPW-UHFFFAOYSA-N 273.738 -0.276 50 20 CBGD C#CCCCC(=O)NNC(=O)CCN1CCOCC1 887143365 WCEYILKELGXKMT-UHFFFAOYSA-N 267.329 -0.340 50 20 CBGD C[C@H](C(=O)O)[C@@H](C)NCc1ccccc1B(O)O 901444420 GOCUXYGMHBJNHV-DTWKUNHWSA-N 251.091 -0.435 50 20 CBGD CC1=NO[C@@](C)(C(=O)NNC(=O)c2cnn(C)c2)C1 903462994 LSOYBOIFKHBRSW-LLVKDONJSA-N 265.273 -0.264 50 20 CBGD COC(C)(C)CC(=O)NNC(=O)CN1CCCC1=O 913733164 YFHZKYSCGLXXJZ-UHFFFAOYSA-N 271.317 -0.429 50 20 CBGD COCCCNC(=O)NNC(=O)C[C@H]1CCOC1 1116114587 WBKWIHZJWUHMKH-SECBINFHSA-N 259.306 -0.220 50 20 CBGD CCc1ncc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 1118857678 UWJJHHGHUQUWHB-QMMMGPOBSA-N 292.299 -0.530 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)[C@H]1CCOC1 1119083580 HUFDMUFFUZLJOF-XHNCKOQMSA-N 284.316 -0.980 50 20 CBGD CCNC(=O)NNC(=O)c1coc(S(=O)(=O)NC)c1 1319706102 YPSWSLXFBQUJLK-UHFFFAOYSA-N 290.301 -0.848 50 20 CBGD Cc1nc(Cl)ccc1NC(=O)C(=O)NNC(=O)CO 1321005095 KNLWYRGDBNLCOQ-UHFFFAOYSA-N 286.675 -0.878 50 20 CBGD CC(C)(C#N)CCS(=O)(=O)NNC(=O)c1ncccn1 1328629801 WEESYDUDMXCGKZ-UHFFFAOYSA-N 297.340 -0.019 50 20 CBGD CCc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc(O)n1 1329200731 GSRMKWRMRDYHSP-SECBINFHSA-N 292.295 -0.611 50 20 CBGD COCCOc1cncc(C(=O)N2CC[C@@H](B(O)O)C2)c1 1329214586 IGDHDBADRVENMM-LLVKDONJSA-N 294.116 -0.204 50 20 CBGD Cc1cccnc1C(=O)NNC(=O)C(=O)NC1CC1 1331185928 WLOYWLYBQRVJSV-UHFFFAOYSA-N 262.269 -0.570 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H](C)Cc1cnn(C)c1 1332169716 DEPNLCPTUAFSKW-SNVBAGLBSA-N 298.343 -0.591 50 20 CBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)C2CCOCC2)CO1 1333609441 ZDMCZDKCUJCKIU-WCBMZHEXSA-N 271.317 -0.079 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CN1CCC(CO)CC1 1335999143 IRGIWZRGJBYJFQ-ZYHUDNBSSA-N 299.371 -0.737 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@]1(F)CCOC1 1342333615 VXFDJGRGVQBMDW-SNVBAGLBSA-N 256.237 -0.772 50 20 CBGD Cc1nsc(C)c1C(=O)NNC(=O)CS(C)(=O)=O 1348437328 WESGKJHMIDVOCI-UHFFFAOYSA-N 291.354 -0.434 50 20 CBGD Cc1cc(=NNC(=O)CN2CCC(CO)CC2)cc[nH]1 1353752581 JDPQKRBILVAZFK-UHFFFAOYSA-N 278.356 -0.041 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CC[C@@H]1C(=O)O 1589415648 KJJHKMRNLZGODR-XAVMHZPKSA-N 270.285 -0.330 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CO[C@@H](CCC(=O)O)C1 1593793549 SMEKEJSCSWVRAK-RQJHMYQMSA-N 259.262 -0.784 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)C(=O)O)N1CCCC[C@H]1C 1594374145 HYEZOGPWBKNFPR-BDAKNGLRSA-N 286.332 -0.336 50 20 CBGD O=C(NNC(=O)[C@]1(C(=O)O)CCCO1)C1CCCC1 1594783263 XULCWKDLPQGNCJ-LBPRGKRZSA-N 270.285 -0.042 50 20 CBGD O=C(O)CC[C@@H]1C[C@H](C(=O)NNC(=O)NCC2CC2)CO1 1595002849 BAOLNIUXWNHSJZ-VHSXEESVSA-N 299.327 -0.003 50 20 CBGD CN(NC(=O)c1ccc(-c2nn[nH]n2)c(O)c1)C(N)=O 1604826751 HTTZLYCKVFPXAB-UHFFFAOYSA-N 277.244 -0.772 50 20 CBGD Cn1ccc(NNC(=O)CN2CCC[C@@H](C(=O)O)C2=O)n1 1608127915 OTNZXEOAXDKKDK-MRVPVSSYSA-N 295.299 -0.814 50 20 CBGD C[C@]1(CNC(=O)NNC(=O)C(=O)O)CCO[C@H]1C1CC1 1609821820 PMJFFOGFUJQAHU-QPUJVOFHSA-N 285.300 -0.393 50 20 CBGD Cc1nn(CCC(=O)O)c(C)c1C=NNC(=O)CCO 1610570589 TYOWQBMDJGIFDD-UHFFFAOYSA-N 282.300 -0.193 50 20 CBGD CCNC(=O)NNC(=O)CNC(=O)Cc1cccc(F)c1 65189495 RUYOGQWIZRVCSR-UHFFFAOYSA-N 296.302 -0.165 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cc(C2CC2)[nH]n1 194897884 UWWXVZANHJEZAG-UHFFFAOYSA-N 279.300 -0.026 50 20 CBGD O=S(=O)(CCl)N1CCCN(CCO)CC1 227367516 CNPIURQDNGRYRQ-UHFFFAOYSA-N 256.755 -0.488 50 20 CBGD COCCS(=O)(=O)NNC(=O)c1ccccc1O 264653477 PFPNMEKAKKKRCT-UHFFFAOYSA-N 274.298 -0.397 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)Cn1cccn1 265882055 NAAIKEJIAWGADR-UHFFFAOYSA-N 281.316 -0.665 50 20 CBGD CNC(=O)NNC(=O)CN1CCN(c2ccccn2)CC1 266844483 NPZAGYBNSQXGFH-UHFFFAOYSA-N 292.343 -0.836 50 20 CBGD COC(=O)NCC(=O)NNc1nc(C)cc(OC)n1 266874028 ARHYASLNZDITCB-UHFFFAOYSA-N 269.261 -0.407 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)[C@@H]1CC[C@@H](C(N)=O)O1 289098996 MRGHWLUODHXHCE-YUMQZZPRSA-N 271.317 -0.397 50 20 CBGD CN1C[C@@H](C(=O)NNC(=O)c2cccn2C)CC1=O 298279826 IRMQJJLVMPPSMN-QMMMGPOBSA-N 264.285 -0.736 50 20 CBGD CNC(=O)NNC(=O)C[C@@H]1Oc2ccccc2NC1=O 299100840 DDXZBPBSBZIGLZ-VIFPVBQESA-N 278.268 -0.264 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1ccnc(F)c1 299694137 OEKZSWKIAYOLSD-UHFFFAOYSA-N 268.248 -0.093 50 20 CBGD COC[C@H](C)N(C)C(=O)c1cccc(B(O)O)c1 584931976 LQATVZVZJASGKT-VIFPVBQESA-N 251.091 -0.527 50 20 CBGD COC[C@H](NC(=O)c1cc(B(O)O)ccc1F)C1CC1 584966019 XXONAASVHHLMHT-LBPRGKRZSA-N 281.092 -0.340 50 20 CBGD CC[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@H]1O 584967812 MWAGQHTUESHYCQ-BXKDBHETSA-N 263.102 -0.791 50 20 CBGD C[C@@]1(O)CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584980702 IAVINCGOEXATIN-GFCCVEGCSA-N 267.065 -0.898 50 20 CBGD O=C(NCCCCO)c1cc(B(O)O)ccc1F 584981501 HAYZMKPASOHHLH-UHFFFAOYSA-N 255.054 -0.992 50 20 CBGD C[C@H]1C[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 585001169 SGSIWJGMDOLRPW-KWQFWETISA-N 285.112 0.465 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)c2cc(B(O)O)ccc2F)CC[C@H]1O 585007331 WWXRVRGTCCSQBR-DFAYQTQMSA-N 295.119 -0.215 50 20 CBGD OB(O)c1ccccc1CNC[C@@H](O)COCC1CC1 585020387 VDRYIXNOKKXUEG-CYBMUJFWSA-N 279.145 -0.757 50 20 CBGD O=C1NCCCC[C@@H]1NCc1ccc(B(O)O)cc1F 585033998 DPTFVIILXRNQEK-LBPRGKRZSA-N 280.108 -0.736 50 20 CBGD CCN(C)C(=O)[C@@H](C)NCc1ccccc1B(O)O 585037526 APOPUNIIPYPWDZ-SNVBAGLBSA-N 264.134 -0.677 50 20 CBGD Cc1cccc(NC(=O)NCC(=O)NCB(O)O)c1 585061231 SPKCOWXQLIHTLT-UHFFFAOYSA-N 265.078 -0.755 50 20 CBGD C#CCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 735382260 WYECDCFZAOWMOX-UHFFFAOYSA-N 285.267 -0.556 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccc3nncn3c2)cn1 735445468 WFASEBUZBXEEJT-UHFFFAOYSA-N 285.267 -0.462 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)NCC1CC1 746838946 MUXLCNGWBZZBOL-SSDOTTSWSA-N 277.346 -0.593 50 20 CBGD CC[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@H]1O 761129430 ZKFOCDXUVMHISX-WPRPVWTQSA-N 255.318 -0.754 50 20 CBGD CCC[C@@](C)(O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 770748602 SAEJKZISWFJVDQ-LDYMZIIASA-N 292.357 -0.880 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CO[C@H](C)C1 784150392 OREXSXKJBDBKCJ-RKDXNWHRSA-N 285.344 -0.136 50 20 CBGD CC(C)[C@@H](F)C(=O)NNC(=O)CNC(=O)c1cccnc1 784153791 DGXKHXDDVIWPOZ-LLVKDONJSA-N 296.302 -0.047 50 20 CBGD CNS(=O)(=O)CCNC(=O)NNc1ccccc1 784665666 XSFKSSBXZJGYMB-UHFFFAOYSA-N 272.330 -0.138 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)NC2)n1 794090497 UZXPFWZPQMGWKL-SECBINFHSA-N 276.296 -0.323 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)c1ccn(C)n1 794561184 LKZQAOCSAVFJFS-QMMMGPOBSA-N 253.306 -0.198 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)N2CCN(C)CC2)CCC1=O 807382225 BZBQBIWWCSZSEB-GHMZBOCLSA-N 296.371 -0.020 50 20 CBGD N#CCCCC(=O)NNC(=O)CNC(=O)c1cccnc1 812534569 OQUBUOAWLGJZIA-UHFFFAOYSA-N 289.295 -0.347 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)[C@H]1CCc2nncn2C1 816886809 HXZANSITRIABPC-VHSXEESVSA-N 293.327 -0.443 50 20 CBGD CCn1cnc(C(=O)NNC(=O)N2CCOCC2)c1 824621741 VXGLGUSWDWIWPI-UHFFFAOYSA-N 267.289 -0.410 50 20 CBGD Cc1n[nH]cc1CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 825767651 XLJMKBPPEWWMQK-WPRPVWTQSA-N 281.316 -0.026 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCOCC1(C)C 827492722 YJWSWADZFKDKOD-UHFFFAOYSA-N 257.334 -0.099 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCCN2C=O)o1 829831172 JHCINYGINMIKDE-SECBINFHSA-N 265.269 -0.030 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843643600 CRXXRGXXXITYTN-RKDXNWHRSA-N 260.290 -0.778 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H]1CCc2nnnn2CC1 845295929 HZYPMTJXFYVVRO-SECBINFHSA-N 295.347 -0.244 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=S)NCC1CC1 849256700 PJPABPTWMRFDOG-UHFFFAOYSA-N 296.352 -0.085 50 20 CBGD C[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)N1CCN(C)CC1 854380982 BFPITYFIXLYQSM-JTQLQIEISA-N 294.359 -0.424 50 20 CBGD C=C[C@H](O)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 854576162 ZCSFZGZHGKJRME-NSHDSACASA-N 299.352 -0.073 50 20 CBGD CNC(=S)N(C)NC(=O)c1c([N+](=O)[O-])c(C)nn1C 854926251 YEDDQKHCNZQLLR-UHFFFAOYSA-N 286.317 -0.282 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)c2cc[nH]n2)CCC1 855358376 IFGRVEOIAWJNSZ-UHFFFAOYSA-N 265.273 -0.913 50 20 CBGD O=C(NNc1ncc(Cl)cn1)C1(n2cnnn2)CC1 857358920 LQWJOJPSALTQLE-UHFFFAOYSA-N 280.679 -0.251 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2ccccc2F)N1 858088105 QBWXQGGECNEOCJ-SNVBAGLBSA-N 294.286 -0.065 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCCOC(F)F)N1 858431169 PQMSZKPCBMWVSX-LURJTMIESA-N 294.258 -0.775 50 20 CBGD C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)[C@@H]1C 858935578 NMJFOWYIJLTHQC-YTWAJWBKSA-N 297.355 -0.184 50 20 CBGD CCC1=C(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCCO1 862458965 KTUCXWWBEKCUOF-VIFPVBQESA-N 281.312 -0.113 50 20 CBGD Cc1ccncc1/C=C\C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862461030 KNWLLULQUPBPNV-MORRKMRCSA-N 288.307 -0.171 50 20 CBGD CCOC(=O)CCN(C)C(=O)c1cc(B(O)O)ccc1F 863886030 SLEWBXOTPHCTOV-UHFFFAOYSA-N 297.091 -0.469 50 20 CBGD CC(=O)NNC(=O)[C@]1(C)Oc2ccccc2NC1=O 864427047 GZHWGLQWIITNPF-GFCCVEGCSA-N 263.253 -0.057 50 20 CBGD CCN(CC)CC(=O)NNC(=O)Cc1cc(C)[nH]n1 869012405 PPAZHJCVKUKAHI-UHFFFAOYSA-N 267.333 -0.250 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H](O)C(C)(C)C 869907986 HLQLRFCUMDOEKK-VIFPVBQESA-N 262.306 -0.796 50 20 CBGD C#CCn1ccnc1C=NNC(=O)COCCOC 872399790 DEOVTGUSZLORMW-UHFFFAOYSA-N 264.285 -0.371 50 20 CBGD COc1nn(C)cc1C(=O)NNC(=O)[C@H]1CCCCO1 883970748 DACBKJWOLVNAPJ-SECBINFHSA-N 282.300 -0.241 50 20 CBGD CNC(=O)NNC(=O)C[C@@H]1NC(=O)c2ccccc21 900353646 XRDUGGDCISASLY-VIFPVBQESA-N 262.269 -0.179 50 20 CBGD COc1ccc(CC(=O)NN(C)C[C@@H](C)O)nc1 910149349 CSZHCBLGUYVTSN-SECBINFHSA-N 253.302 -0.024 50 20 CBGD CC(=O)N1CC[C@](C)(C(=O)NN(C)C[C@@H](C)O)C1 910161752 ANJHVRZFRPIXRD-SKDRFNHKSA-N 257.334 -0.411 50 20 CBGD CC1=C(C(=O)NN(C)C[C@@H](C)O)S(=O)(=O)CCO1 910165707 KPUJJBHJJLAZLN-SSDOTTSWSA-N 278.330 -0.993 50 20 CBGD Cc1nn(C)c(C)c1CC(=O)NN(C)C[C@H](C)O 910175980 WSZFFRNUXLKATE-QMMMGPOBSA-N 254.334 -0.077 50 20 CBGD COc1cccc(C(=O)NCC(=O)NN(C)C[C@@H](C)O)c1 910183382 PVYDTNFJZLJQHU-SNVBAGLBSA-N 295.339 -0.231 50 20 CBGD CCCCNC(=O)NNC(=O)CCCN1C(=O)CNC1=O 920823105 QRZFIQSZMQSDAN-UHFFFAOYSA-N 299.331 -0.551 50 20 CBGD Cn1nc(C2CC2)cc1C(=O)NNC(=O)C(C)(C)O 935563263 KYKDIOCPYXSUBH-UHFFFAOYSA-N 266.301 -0.171 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccn(CCOC)n1 1116727460 SKXDOQJGLFIYDI-UHFFFAOYSA-N 299.331 -0.490 50 20 CBGD COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(C)=O 1317704820 VHABJQXSSOXWAN-UHFFFAOYSA-N 287.297 -0.877 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1sc(C)nc1C 1318943869 YBYYBWBYDMPPQM-UHFFFAOYSA-N 286.313 -0.237 50 20 CBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cccc(C)c1C 1320599958 LGTSWMYANGMKKP-UHFFFAOYSA-N 293.279 -0.438 50 20 CBGD COc1ccc(C=NNC(=O)CCO)cc1OCC(N)=O 1323529491 GDQRUDNKCKXMAN-UHFFFAOYSA-N 295.295 -0.608 50 20 CBGD O=C(NNC(=S)NCC1CC1)C(=O)NC1CC1 1330122859 JHXAFWHBOUXMDQ-UHFFFAOYSA-N 256.331 -0.830 50 20 CBGD Cc1[nH]c(C#N)cc1C(=O)NNC(=O)CS(C)(=O)=O 1330168935 RCXWQVRGEWGVJL-UHFFFAOYSA-N 284.297 -1.000 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CCCN(C(N)=O)C1 1334438839 CVJWAYWHBBBGDW-ZETCQYMHSA-N 273.362 -0.756 50 20 CBGD Cn1ccc(NNC(=O)CNC(=O)c2cccc(O)c2)n1 1339436894 AGNCNJCYOUCHCY-UHFFFAOYSA-N 289.295 -0.001 50 20 CBGD CCNC(=O)N(C)NC(=O)C1=NO[C@@]2(CCNC2)C1 1577793663 RJHMNILTPSUUCG-NSHDSACASA-N 269.305 -0.813 50 20 CBGD NCC(=O)NNC(=O)c1ccc([C@@H]2CCC(=O)N2)cc1 1580210573 KFRMANGOIPPVIT-JTQLQIEISA-N 276.296 -0.643 50 20 CBGD C[C@@H]1CC[C@H](C(=O)NNC(=O)[C@@](C)(C#N)CC(=O)O)O1 1594215568 HGOBNWMVDQPATJ-DNSOKLHBSA-N 283.284 -0.294 50 20 CBGD O=C(CC1CC1)NNC(=O)[C@@H]1CC(C(=O)O)=NO1 1594678467 RMVKBXOKGBESHT-ZETCQYMHSA-N 255.230 -0.837 50 20 CBGD CN(C)CC(=O)NNC(=O)c1csc(C(=O)O)n1 1598196891 MLHSSPSYQPYUGK-UHFFFAOYSA-N 272.286 -0.836 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1C[C@H]1c1ccccc1 1601552642 CAUBBMHFEUGRMO-DTWKUNHWSA-N 263.253 -0.043 50 20 CBGD O=C(O)[C@H]1CC(F)(F)CN1C(=O)c1ccc(B(O)O)cc1 1602211681 ZRQDBXOCQKPSBG-SECBINFHSA-N 299.038 -0.699 50 20 CBGD CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)c1cnsn1 1602970446 TYBUVGGRSJRVFJ-ZCFIWIBFSA-N 272.286 -0.344 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C(=O)O)C1CC1 1603486507 WDKTYAZPAVQZCA-RCOVLWMOSA-N 286.284 -0.414 50 20 CBGD C[C@@]1(CNC(=O)NNC(=O)C(=O)O)C[C@H]1Br 1604577172 FHRQFLMFVZJZTH-VHWMUFPASA-N 294.105 -0.425 50 20 CBGD CCOCC(=O)NNC(=O)Nc1c(C(=O)O)cnn1C 1605618235 GBESMHGCSOFMAH-UHFFFAOYSA-N 285.260 -0.693 50 20 CBGD COC(=O)N(C)NC(=O)CCSCC(=O)O 1606488261 VPBNYNRHTSBKSV-UHFFFAOYSA-N 250.276 -0.076 50 20 CBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cccs1 7725928 APQJMDWYVBOZET-UHFFFAOYSA-N 291.354 -0.418 50 20 CBGD O=S(=O)(CCCCl)NC[C@H]1COCCO1 38062395 FASJEKMHUHOABO-QMMMGPOBSA-N 257.739 -0.050 50 20 CBGD CCCNC(=O)NNC(=O)c1ccc(C(N)=O)nc1 49428015 MJUBNNHXXDQQAT-UHFFFAOYSA-N 265.273 -0.466 50 20 CBGD COC(=O)C[C@H](C)C(=O)NNC(=O)c1ccc[nH]1 121408804 ZHQSBURGGJYHLW-ZETCQYMHSA-N 253.258 -0.025 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)c2ccncc2)C1 173592637 VTJYVKAJLOPEEV-SNVBAGLBSA-N 264.285 -0.827 50 20 CBGD O=S(=O)(CBr)NCC(F)(F)CO 231781024 PZMNUGHJLUZCQS-UHFFFAOYSA-N 268.079 -0.114 50 20 CBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)NCC(F)(F)F 263655269 MVRTXQHJMZNIBV-CRCLSJGQSA-N 283.206 -0.312 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cccnc1S 265093775 USOHAQGMGYVDJM-UHFFFAOYSA-N 254.315 -0.307 50 20 CBGD COCCO[C@@H](C)C(=O)NN[C@H](C(N)=O)c1ccccc1 267041910 CVGUYUNMHBZJGW-JQWIXIFHSA-N 295.339 -0.115 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)[C@@]1(O)CCSC1 281370011 WQSZVZQUXBVHSN-SSDOTTSWSA-N 287.263 -0.253 50 20 CBGD CO[C@H]1COC[C@@H]1NC(=O)NNc1ncncc1F 293413861 QVCFEWRFGSOLNA-YUMQZZPRSA-N 271.252 -0.344 50 20 CBGD O=C(CC1CC1)NNC(=O)c1cnc2[nH]c(=O)[nH]c2c1 294168394 NNLDNTPCQFESRP-UHFFFAOYSA-N 275.268 -0.188 50 20 CBGD O=C(N[C@H]1CCC[C@H]1CCO)c1ccc(B(O)O)c(F)c1 584974139 MPRSNHVMPFIZSA-ZANVPECISA-N 295.119 -0.214 50 20 CBGD CC1(C)[C@@H](O)C[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584974271 NDYOQORACADXPY-MNOVXSKESA-N 281.092 -0.605 50 20 CBGD CC[C@@]1(O)CCN(C(=O)c2ccc(B(O)O)cc2)C1 584975128 TWARRGYYMBAKSV-CYBMUJFWSA-N 263.102 -0.647 50 20 CBGD O=C(N[C@@H](CO)CC1CCC1)c1cccc(B(O)O)c1 584991709 GHPMDIPBVHQIIU-CYBMUJFWSA-N 277.129 -0.353 50 20 CBGD CN(C)CCCNCc1ccc(B(O)O)cc1F 585014594 WWJIGHUIECTNCR-UHFFFAOYSA-N 254.114 -0.453 50 20 CBGD OB(O)c1ccc(CNC[C@@H]2CN3CCCC[C@@H]3CO2)o1 585033893 HYDNUVKZXMDRTR-DGCLKSJQSA-N 294.160 -0.698 50 20 CBGD CO[C@H]1COCC[C@@H]1CNCc1ccc(B(O)O)cc1 585044120 YYEHCTULXMQLBM-OCCSQVGLSA-N 279.145 -0.493 50 20 CBGD OC[C@@H](NCc1cccc(B(O)O)c1)[C@H]1CCCOC1 585046049 LXZPFMBJJZNVBB-GXTWGEPZSA-N 279.145 -0.757 50 20 CBGD O=S(=O)(NCB(O)O)c1cc(Cl)ccc1F 585059585 SXTQHNGPRZCYNK-UHFFFAOYSA-N 267.474 -0.231 50 20 CBGD CC(C)[C@@H](C(=O)NCB(O)O)N1C[C@@H](C)O[C@H](C)C1 585059986 INNRSMGLSBYUEW-MXWKQRLJSA-N 272.154 -0.752 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccsc1 729276155 XZKBQDVQVLMAED-LURJTMIESA-N 291.354 -0.553 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)c1cnn(C)c1 735471455 YIVPIZONKVATDM-NSHDSACASA-N 275.312 -0.721 50 20 CBGD CC(C)C(=O)NNS(=O)(=O)C[C@@H]1CCCO1 735647343 YNGYRQANWGIBQR-QMMMGPOBSA-N 250.320 -0.228 50 20 CBGD CC(C)[C@H](NC(=O)O)C(=O)NNC(=O)N1CCOCC1 736373329 CKLTXZOHTXBDMP-QMMMGPOBSA-N 288.304 -0.648 50 20 CBGD O=C(O)NCCC(=O)NNc1ncnc2[nH]cnc12 740642876 HVQLSPJLJLKZAM-UHFFFAOYSA-N 265.233 -0.546 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@H]1CCCN1S(C)(=O)=O 745139467 IKUBQUDYRSJFRE-MRVPVSSYSA-N 292.361 -0.851 50 20 CBGD COC[C@@H](C)NC(=S)NNC(=O)N1CCOCC1 745731047 YGYKMAQFUCCGOV-MRVPVSSYSA-N 276.362 -0.558 50 20 CBGD COC[C@@](C)(O)C(=O)NNc1nc(C)cc(C)n1 754967346 RLXWBPBABDIWHD-LLVKDONJSA-N 254.290 -0.066 50 20 CBGD NC(=O)c1cccc(C=NNC(=O)C(=O)N2CCCC2)c1 755679211 DSZFLHJJVDFXBY-UHFFFAOYSA-N 288.307 -0.142 50 20 CBGD COC(=O)CN(C)[C@@H](C)C(=O)NNC(=O)CC(C)C 757082083 QJMCMAGQXPBNGV-VIFPVBQESA-N 273.333 -0.327 50 20 CBGD CN(C)C(=O)NNC(=O)C(C)(C)NC(=O)C(F)(F)F 760214253 XHZUHAGNWOXTBE-UHFFFAOYSA-N 284.238 -0.254 50 20 CBGD CO[C@@]1(CNC(=O)NNC(=O)C(C)C)CCOC1 763712436 HEKMDPKZCXMRNJ-LLVKDONJSA-N 259.306 -0.222 50 20 CBGD O=C(Cn1cnnn1)NN=c1cc[nH]cc1Cl 768444119 NALHJGOBXDAUEX-UHFFFAOYSA-N 253.653 -0.713 50 20 CBGD CC(C)CS(=O)(=O)CC(=O)NN(C)C(N)=O 770439337 CQFSYBMGNZMKNM-UHFFFAOYSA-N 251.308 -0.901 50 20 CBGD C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)c1ccc[nH]1 779489116 NJKYGWVIQIDTBL-OIBJUYFYSA-N 294.311 -0.949 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cnc2cnccn12 779823360 OAJGFLGEJPTXTR-UHFFFAOYSA-N 276.256 -0.465 50 20 CBGD CCn1cc(CC(=O)NNC(=O)c2c[nH]nc2C)cn1 780627287 ACUMWMAYDSMIOZ-UHFFFAOYSA-N 276.300 -0.062 50 20 CBGD COC1(C(=O)NNc2nnc(C)c(O)n2)CCC1 782112736 SNHPNDFODYDDPW-UHFFFAOYSA-N 253.262 -0.102 50 20 CBGD CC(C)[C@H](F)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 784780550 BPUNFGREAKECRS-BQBZGAKWSA-N 283.325 -0.934 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H](O)Cc1ccccc1 793274221 RANMNMJDPHMFLC-JTQLQIEISA-N 251.286 -0.108 50 20 CBGD O=C(CCn1cnccc1=O)NNC(=O)c1ccccn1 794198083 BDPHFAUZLIARPY-UHFFFAOYSA-N 287.279 -0.510 50 20 CBGD O=C(NNc1ncnc2[nH]cnc12)c1cc([N+](=O)[O-])n[nH]1 806893464 XXKKHTYRLOAROX-UHFFFAOYSA-N 289.215 -0.259 50 20 CBGD CN(C)CC(=O)NN=Cc1ccc(-c2nn[nH]n2)o1 821583551 ZIPMJBXDGWAMMR-UHFFFAOYSA-N 263.261 -0.529 50 20 CBGD Cc1cccc2c1O[C@@H](C(=O)NNC(=O)CO)C2 827893264 ALNITLHKLYUNJZ-SECBINFHSA-N 250.254 -0.562 50 20 CBGD COc1cc(C)nc(NNC(=O)C[C@@H]2CC(=O)N2)n1 829482003 IADZKYUEMBOMNA-ZETCQYMHSA-N 265.273 -0.485 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCCC(=O)O 831052144 MONPNVTUIMPLRY-QMMMGPOBSA-N 291.304 -0.767 50 20 CBGD O=C(CNc1ccccc1)NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 839476991 ALFCXDSLROZMNG-NXEZZACHSA-N 278.268 -0.089 50 20 CBGD C[C@@H]1CCN(S(=O)(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1 842592516 MIXYNXWJQHNYCJ-BBBLOLIVSA-N 291.373 -0.381 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)COCC1CC1 843646394 QBDRGMUXDJJFOX-WCBMZHEXSA-N 256.302 -0.015 50 20 CBGD C[C@@H](CC(=O)NNC(=O)CN(C)C)n1ccnc1 846632848 FDSDBGOPIFCLGO-VIFPVBQESA-N 253.306 -0.457 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H]1CCCS1(=O)=O 847317264 RBPHFLAGDXNXRR-MRVPVSSYSA-N 262.331 -0.243 50 20 CBGD CN(CC(Cl)Cl)C(=O)CN1C(=O)C(=O)N(C)C1=O 848082018 VHJIHFDWSSYHIY-UHFFFAOYSA-N 296.110 -0.331 50 20 CBGD Cn1cnn(CCC(=O)NNC(=O)CC(F)(F)F)c1=O 848371447 VOWANVLPPSITFR-UHFFFAOYSA-N 295.221 -0.928 50 20 CBGD O=C(NNC(=O)[C@H]1CCNC1=O)c1cccc([N+](=O)[O-])c1 854121269 AUAVPIUTHSGDMG-VIFPVBQESA-N 292.251 -0.508 50 20 CBGD COCCOCCC(=O)NNC(=O)c1cc[nH]n1 855359147 HHZLPQWANJNWLG-UHFFFAOYSA-N 256.262 -0.776 50 20 CBGD C=CCNC(=S)NNC(=O)Cn1cc(C(=O)OC)cn1 858125401 CLQZESCFABGHEQ-UHFFFAOYSA-N 297.340 -0.649 50 20 CBGD COC(=O)CSCCNC(=O)c1ccc(B(O)O)cc1 863873345 AXOLTUZBUIQNTI-UHFFFAOYSA-N 297.141 -0.998 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1C[C@H]2COC[C@H]2C1 872320395 VCPDYBXGBQRTAJ-AOOOYVTPSA-N 269.345 -0.242 50 20 CBGD Cc1ccn(C[C@H](C)C(=O)NNC(=O)CN(C)C)n1 878681446 QYYKPYXBIVCPAZ-VIFPVBQESA-N 267.333 -0.463 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@@]1(O)CCOC1 899998319 JTIWCASRJQNQCW-SNVBAGLBSA-N 261.347 -0.568 50 20 CBGD COCCC1(C(=O)NNC(=O)CN2CCCC2=O)CC1 913731342 DWQKADYZPMJPSQ-UHFFFAOYSA-N 283.328 -0.427 50 20 CBGD CN1CC[C@@H]2CN(CC(=O)NNC(=O)C3CC3)C[C@@H]2C1 931438929 SIQIYFMXGHDTFH-NEPJUHHUSA-N 280.372 -0.573 50 20 CBGD O=C(C[C@H]1CCCOC1)NNC(=O)C(=O)N1CCCC1 1116873853 LTMWZFLGIVBKJX-SNVBAGLBSA-N 283.328 -0.427 50 20 CBGD COC(=O)CN(C)CCNS(=O)(=O)CCl 1117761338 WEHFASCWZILPRD-UHFFFAOYSA-N 258.727 -0.793 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CCCS(=O)(=O)C1 1119103698 DFJGFMSCXOYCHM-SECBINFHSA-N 264.347 -0.843 50 20 CBGD CNC(=O)c1ccc(C(=O)NNC(=S)NC(C)C)cn1 1318269324 BBCNHLNWWAOFOI-UHFFFAOYSA-N 295.368 -0.042 50 20 CBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cscn1 1318307896 QERKQAOSFYMEQI-ZCFIWIBFSA-N 289.338 -0.661 50 20 CBGD C[C@]1(CNC(=O)NNC(=O)C(=O)NC2CC2)CCOC1 1318578053 IKWMRKNUKMGXQU-GFCCVEGCSA-N 284.316 -0.978 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)s1 1318939793 WTBSZJUCVPNYLO-UHFFFAOYSA-N 278.293 -0.341 50 20 CBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(OC)ncn1 1321153892 IEVRNDZJUKRRLJ-SSDOTTSWSA-N 295.299 -0.383 50 20 CBGD COCCCCC(=O)NNC(=O)C(=O)NC(C)C 1322133304 QIDKFJYFBJBRLG-UHFFFAOYSA-N 259.306 -0.525 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C1=CCOCC1 1322416015 IJZRHKKZRXEZCV-UHFFFAOYSA-N 283.328 -0.215 50 20 CBGD CCNC(=O)CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1326111787 OFLDWODBIBUPQI-VIFPVBQESA-N 291.373 -0.995 50 20 CBGD C=CCOCCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1327538022 NNNGFUJANZPTNK-ZJUUUORDSA-N 271.317 -0.056 50 20 CBGD O=C(NNC(=O)C1CCOCC1)c1cnc2nccn2c1 1330842040 SHYFZIGDOLEZIF-UHFFFAOYSA-N 289.295 -0.083 50 20 CBGD CCc1nc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)co1 1331312126 GFXQUXPSAXVPCU-QMMMGPOBSA-N 295.299 -0.654 50 20 CBGD Cc1occc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1331825811 FQLCOMCGHYIMLH-MRVPVSSYSA-N 251.242 -0.372 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCC2CC(F)(F)C2)N1 1332650972 YKBPXNUSAMMFAN-ZETCQYMHSA-N 290.270 -0.359 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)C(=O)NCC(F)F)cc1 1339155665 INPHXNONLCPZJW-UHFFFAOYSA-N 296.233 -0.299 50 20 CBGD O=C(O)[C@@H]1CC[C@H](NCc2cccc(B(O)O)c2)C1 1574761426 DTUKJEGPSWGLJC-PWSUYJOCSA-N 263.102 -0.291 50 20 CBGD C[C@H](N)[C@@H](C)C(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1 1576087565 DAEAXYMBZXEFDL-SCVCMEIPSA-N 298.387 -0.630 50 20 CBGD COc1ccc(NC(=O)NNC(=O)[C@H]2OCC[C@H]2N)cc1 1579228619 XCMUPPXYFLEGKG-MNOVXSKESA-N 294.311 -0.036 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1589881700 BIEBPBSAMYUCNU-ZCFIWIBFSA-N 265.277 -0.848 50 20 CBGD CC(C)C[C@H]1C[C@H](NC(=O)NNC(=O)C(=O)O)CCO1 1591206834 ZEAJZJZOFJDJTC-BDAKNGLRSA-N 287.316 -0.005 50 20 CBGD C[C@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)C(=O)O 1592463936 JSIUXONRPOBSQI-RQJHMYQMSA-N 259.262 -0.784 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)C12CC(C(=O)O)(C1)C2 1601354796 PHPSUAUSCNUXFP-UHFFFAOYSA-N 278.268 -0.646 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)C(=O)NC2CC2)c1 8393044 QJOCKNRZPDXXBG-UHFFFAOYSA-N 272.264 -0.402 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1ccccc1O)S(C)(=O)=O 45876843 SEZBVIDFEUMTKQ-ZETCQYMHSA-N 286.309 -0.414 50 20 CBGD CCN(CC)CC(=O)NNC(=O)CNC(=O)c1ccco1 101526658 UEVJUCZWBDGCIN-UHFFFAOYSA-N 296.327 -0.501 50 20 CBGD C=C[C@H](C)NC(=O)NNC(=O)CNC(=O)c1ccco1 119311592 LORXQFVCDSLJDH-QMMMGPOBSA-N 280.284 -0.086 50 20 CBGD COCCCNC(=O)NNC(=O)c1cnn2cccnc12 139603737 STRCHDHTJGFJJT-UHFFFAOYSA-N 292.299 -0.290 50 20 CBGD C#CCOCCC(=O)NNC(=O)Cc1ccncc1 154844976 INMFTSRFSADEAW-UHFFFAOYSA-N 261.281 -0.189 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CN(C)CCO2)o1 176222066 TUUOKDXINTVTJY-JTQLQIEISA-N 267.285 -0.320 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@](C)(O)C2CC2)[nH]n1 288184433 BTFFPNMWXMTJPT-NSHDSACASA-N 252.274 -0.360 50 20 CBGD CN1CCC[C@@H](C(=O)Nc2cccc(B(O)O)c2)C1=O 584913078 ZHRJRJITTNWPGL-NSHDSACASA-N 276.101 -0.827 50 20 CBGD CC[C@@H](C)N(C)CCNC(=O)c1ccc(B(O)O)c(F)c1 584940396 UXEOINQQJMCJQG-SNVBAGLBSA-N 296.151 -0.034 50 20 CBGD CCC[C@@](C)(O)CNC(=O)c1ccc(B(O)O)cc1 584953972 IDKXXKIMUISVMA-CYBMUJFWSA-N 265.118 -0.353 50 20 CBGD CC1(C)COCCN1C(=O)c1ccc(B(O)O)c(F)c1 584985226 JPFFGLFDNFHUOQ-UHFFFAOYSA-N 281.092 -0.244 50 20 CBGD C[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1CCO 585006514 MUUUZSMSWPAPPG-FZMZJTMJSA-N 291.156 -0.011 50 20 CBGD Cc1nc(CCNCc2cccc(B(O)O)c2)no1 585022153 JZARFHDLNOQQFS-UHFFFAOYSA-N 261.090 -0.610 50 20 CBGD OB(O)c1ccc(CNCCN2CCSCC2)o1 585032964 SEYFWZSUJODHGI-UHFFFAOYSA-N 270.163 -0.902 50 20 CBGD C[C@@H](NCc1ccccc1B(O)O)C(=O)N1CCCCC1 585038748 FNCFNKVBOYRMFX-GFCCVEGCSA-N 290.172 -0.143 50 20 CBGD COCCCNC(=O)NNS(=O)(=O)C[C@H]1CCCO1 735647255 XNQKKGZNVSJQMY-SECBINFHSA-N 295.361 -0.665 50 20 CBGD COCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)C(C)C 741464289 OBRYFZFNPJZFFF-MRVPVSSYSA-N 279.362 -0.301 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)Cn1cccn1 747323697 JGRNBLHIPDTAES-UHFFFAOYSA-N 259.269 -0.332 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCC(C)(C)OC 748633024 GGAYWZWPKSFMHZ-SECBINFHSA-N 291.348 -0.207 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccc(O)c([N+](=O)[O-])c1 749603090 FOYKAZXGXHNPAU-UHFFFAOYSA-N 266.213 -0.374 50 20 CBGD CCOCC(=O)NNC(=O)NCc1cnc(N(C)C)n1C 751806847 KURKYOCYVTVSMU-UHFFFAOYSA-N 298.347 -0.647 50 20 CBGD CN(C)c1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)CO)cc1 753440600 VUUXVYSAFMOKCT-NWDGAFQWSA-N 277.324 -0.004 50 20 CBGD CC(C)(C)c1ncc(NC(=O)NNC(=O)CO)cn1 756247945 YCGQKRZAWZDGBL-UHFFFAOYSA-N 267.289 -0.081 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCc2c[nH]nc2C1 768240947 GRYHVOZYCLRVOS-ZETCQYMHSA-N 266.301 -0.567 50 20 CBGD CSCCNC(=S)NNC(=O)[C@H]1CCCN1C 770248334 VJJSNDUZICPHOW-MRVPVSSYSA-N 276.431 -0.061 50 20 CBGD O=C(NNS(=O)(=O)c1cn[nH]c1)[C@H]1CCCCO1 772468939 DPMCTOJKQTVCNY-MRVPVSSYSA-N 274.302 -0.712 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)C[C@H](C)O 772776525 TUUSYUIYHJKCFA-VHSXEESVSA-N 259.350 -0.119 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)c2nccnc2N)n1 779373360 HTIHHBMIEFDDCD-UHFFFAOYSA-N 280.679 -0.159 50 20 CBGD COC(=O)CNC(=O)NN=Cc1ccc([N+](=O)[O-])o1 779821531 ZITINMYJXATPAZ-UHFFFAOYSA-N 270.201 -0.006 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccn1 789875541 UWOQYXIMPHRKQH-SNVBAGLBSA-N 297.336 -0.414 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](OC)C1CC1 792193048 IDFICDUELZLOKU-JTQLQIEISA-N 285.344 -0.136 50 20 CBGD COCc1cc(C=NNC(=O)NCC(=O)OC)no1 794927369 KUBQTJMXYHQQKW-UHFFFAOYSA-N 270.245 -0.373 50 20 CBGD CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)N(C)C 795823027 LSNSYSDTXZDWEY-VIFPVBQESA-N 256.306 -0.310 50 20 CBGD Cc1[nH]nc(C(=O)NNC(=O)NCC(F)(F)F)c1O 798315703 NPZHUYODXARIPH-UHFFFAOYSA-N 281.194 -0.070 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=O)N=c1cc[nH]cc1 802026489 DYDQLGSQLDTBMF-LLVKDONJSA-N 268.273 -0.946 50 20 CBGD CC(=O)C1(C(=O)NNC(=O)c2cnn(C)c2)CC1 815646472 KRIXZBWQQSABLN-UHFFFAOYSA-N 250.258 -0.450 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccc2nnnn2c1 823947151 SWUDJBWMAUNQBV-SSDOTTSWSA-N 250.262 -0.918 50 20 CBGD C[C@H](CO)N(C)NC(=O)Cn1cnc2sccc2c1=O 823983068 KDTCIBDNSNFDPL-MRVPVSSYSA-N 296.352 -0.198 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccc2c(c1)NC(=O)CO2 823987760 LRLHBSCKNGYZPS-QMMMGPOBSA-N 279.296 -0.025 50 20 CBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)C1CCC1 827215977 IQLCBIHDJKJFOR-SSDOTTSWSA-N 277.346 -0.738 50 20 CBGD CC1(C)CN(S(=O)(=O)CCl)CCN1CCO 831196764 ZQKSQYSQDOFVLF-UHFFFAOYSA-N 270.782 -0.099 50 20 CBGD C[C@H](C(=O)O)n1cccc1C=NNC(=O)[C@@H]1COCCO1 833408398 UNRPYVKGCTUJMG-KOLCDFICSA-N 295.295 -0.001 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(N)=O)cc1 843648335 PZZJQLRMNNQNEZ-KWQFWETISA-N 291.307 -0.029 50 20 CBGD COc1cncc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1 843655706 KUTNRQMNONUOAR-JGVFFNPUSA-N 280.284 -0.329 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@]1(O)CCSC1 843978006 ISCNJXZJVHEERF-VAOFZXAKSA-N 274.342 -0.573 50 20 CBGD CCC[C@@H](C(=O)OCC)S(=O)(=O)NNC(=O)OC 844644101 KLMOCYUFODJBOR-ZETCQYMHSA-N 282.318 -0.091 50 20 CBGD CON1CCN([C@H](C)C(=O)NNC(=O)CC(C)C)CC1 846976939 HSWJUBHXJVUANL-LLVKDONJSA-N 286.376 -0.253 50 20 CBGD COC[C@@](C)(O)C(=O)NNc1ncc(Cl)cn1 857729342 SMIDOTKVFBCXGA-SECBINFHSA-N 260.681 -0.030 50 20 CBGD C=C(C)COCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858301246 SMBZONIETDVIFW-VIFPVBQESA-N 284.316 -0.812 50 20 CBGD CNC(=O)c1ccc(NC(=O)NNC(=O)CO)c(OC)c1 861338475 SUQQNVVYRLWECJ-UHFFFAOYSA-N 296.283 -0.800 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1cn(C2CC2)nn1 861566267 JRUPAVIFDZLFAI-UHFFFAOYSA-N 287.283 -0.104 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc(F)nc2)N1 862454070 CCJYFOQHMFNEJQ-SSDOTTSWSA-N 266.232 -0.740 50 20 CBGD Cc1cccc(O)c1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862463283 ACGAPTWHMVUYNU-QMMMGPOBSA-N 277.280 -0.260 50 20 CBGD N#Cc1cc(S(N)(=O)=O)ccc1N1CC[C@@H](B(O)O)C1 864234397 URUCSGYGNILDJD-SECBINFHSA-N 295.129 -0.741 50 20 CBGD COC(=O)N(C)NC(=O)NCCOC[C@@H]1CCOC1 875265749 PNXIJVFWXRGJMZ-SECBINFHSA-N 275.305 -0.048 50 20 CBGD C[C@H](O)CN(C)NC(=O)CCCn1ccccc1=O 910162227 CXIWHPGHHTUWBG-NSHDSACASA-N 267.329 -0.028 50 20 CBGD C[C@H](O)CN(C)NC(=O)CCn1ccccc1=O 910170305 JPBIZZOLJXKRPX-JTQLQIEISA-N 253.302 -0.418 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)NCCN1CCOCC1 918056350 VBRGJFVNWSKXFM-UHFFFAOYSA-N 298.265 -0.399 50 20 CBGD Cc1cc(CCC(=O)NNC(=O)N2CCN(C)CC2)no1 935859307 BJPMFOSYLTYFSX-UHFFFAOYSA-N 295.343 -0.096 50 20 CBGD COC(=O)NCC(=O)NNC(=O)Cc1ccncc1 1116192266 CFXJTAOALUVCTQ-UHFFFAOYSA-N 266.257 -0.873 50 20 CBGD NS(=O)(=O)c1cc(C(=O)NNc2cccnn2)cs1 1254614180 CEOFEMQACUYDKT-UHFFFAOYSA-N 299.337 -0.058 50 20 CBGD NC(=O)C(=O)NN=C1CCS(=O)(=O)c2ccccc21 1317717506 YJQREEVRAAAWCS-UHFFFAOYSA-N 281.293 -0.830 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1cccc(N(C)C)c1 1322253490 LYDWXVJSEWHEFM-UHFFFAOYSA-N 294.311 -0.244 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1NC(=O)O[C@H]1C 1327455627 PTRUGHPEDNHTND-NTSWFWBYSA-N 260.319 -0.613 50 20 CBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)NCC(F)(F)F 1329065477 ABFQVRAKXVBAED-WHFBIAKZSA-N 282.222 -0.609 50 20 CBGD Cc1c(C#N)cccc1C(=O)NNC(=O)CS(C)(=O)=O 1329587268 HRDPIDUSDDLKLB-UHFFFAOYSA-N 295.320 -0.328 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F 1330223959 XKYLVRWZBZBMJF-UHNVWZDZSA-N 282.222 -0.739 50 20 CBGD O=C(NNC(=O)[C@@]1(F)CCOC1)c1cccnn1 1330814047 VEFAIKDIMXQBGE-SNVBAGLBSA-N 254.221 -0.634 50 20 CBGD O=C(NNC(=O)N1CC(=O)N(CC2CC2)C1)c1cn[nH]c1 1331536526 HCPMVMYYMSCXSJ-UHFFFAOYSA-N 292.299 -0.724 50 20 CBGD O=C(CN1CCSC1=O)N1CC[C@H](B(O)O)C1 1331827150 OKHYMASVEJMTOQ-ZETCQYMHSA-N 258.108 -0.770 50 20 CBGD C#CCCCC(=O)NNC(=O)COCC(=O)OC 1333529171 UGTWSFFJORKVBK-UHFFFAOYSA-N 256.258 -0.873 50 20 CBGD O=C(CO)NNC(=O)c1cnc(O)c(Br)c1 1337722098 UZWPXOZACQSKKL-UHFFFAOYSA-N 290.073 -0.697 50 20 CBGD COC(=O)[C@@H](C)n1cccc1C=NNC(=O)C(N)=O 1341730329 RKNPMHFZUZKRMV-SSDOTTSWSA-N 266.257 -0.843 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)NCCc2nc(N)n[nH]2)cn1 1347783584 BUIZRJAXSDRWIF-RUDMXATFSA-N 286.299 -0.614 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccc(-c2nn[nH]n2)cn1 1556926542 UTFXKAGOCTZKMY-SSDOTTSWSA-N 277.288 -0.781 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)[C@H]1CCCNC1 1580735718 DLNKXMSMRXGWNA-MMWGEVLESA-N 279.340 -0.251 50 20 CBGD CN(C)CCN(CC(=O)O)S(=O)(=O)CCl 1593699106 OWAXCOJUDSJTEP-UHFFFAOYSA-N 258.727 -0.539 50 20 CBGD C[C@@H]1CC[C@H](C(=O)NNC(=O)C2(C(=O)O)CCC2)O1 1594215413 AERUUECDKPZFHK-HTQZYQBOSA-N 270.285 -0.044 50 20 CBGD O=C(NNC(=O)c1cnsn1)N[C@@H]1CC=C(C(=O)O)C1 1601555983 UTSNWAOOJRIJOA-ZCFIWIBFSA-N 297.296 -0.345 50 20 CBGD C[C@@H](CO)N(C)NC(=O)C1(C(=O)O)CCOCC1 1603203335 ZTTHYSADERHVCT-QMMMGPOBSA-N 260.290 -0.788 50 20 CBGD CS(=O)(=O)SCCNC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1607375987 IYVYWIINWYNHQP-RQJHMYQMSA-N 297.354 -0.572 50 20 CBGD Cn1nc2c(c1C=NNC(=O)C(=O)O)CCCC2 1608152046 WXRXRKWMDLTFFE-UHFFFAOYSA-N 250.258 -0.166 50 20 CBGD Cn1c(=NNC(=O)[C@@H](N)CC(=O)O)sc2ccccc21 1610594210 KCRRNABWSGRLDN-ZETCQYMHSA-N 294.336 -0.026 50 20 CBGD C[N+](C)(C)CC(=O)NN=Cc1ccc(C(=O)O)nc1 1776011840 SMORVCZRGCWBER-UHFFFAOYSA-O 265.293 -0.064 50 20 CBGD COc1ccccc1C(=O)NNC(=O)NCC(=O)N(C)C 67455992 CHLZFBOJHSVHOR-UHFFFAOYSA-N 294.311 -0.273 50 20 CBGD O=C(NC[C@H]1CC=CCC1)NNC(=O)C(=O)NC1CC1 69240266 BWYOUSREGDGDJS-VIFPVBQESA-N 280.328 -0.048 50 20 CBGD O=C(CN1C(=O)c2ccccc2C1=O)NNC(=O)C1CC1 70671590 AETRPPLIXZVHIJ-UHFFFAOYSA-N 287.275 -0.160 50 20 CBGD CCCCNC(=O)NNC(=O)Cc1nc2ncccn2n1 142549840 RLKFHLDDTXJRJN-UHFFFAOYSA-N 291.315 -0.203 50 20 CBGD CCOC(=O)/C(C#N)=C/N[C@@H](C)CS(C)(=O)=O 172010999 LQOYNFQNTAPRRN-CYXIBPNKSA-N 260.315 -0.020 50 20 CBGD O=C(NNc1cnccn1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 178241022 SQBFLGVOQNMFMA-QMMMGPOBSA-N 287.283 -0.304 50 20 CBGD N#Cc1ccc(C(=O)NCC(=O)NNC(=O)C2CC2)cc1 263800122 PYHWQQDOKVEOEU-UHFFFAOYSA-N 286.291 -0.155 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)[C@H]2COCCO2)c1 264042074 RZZCDGCJIONZSE-LLVKDONJSA-N 275.264 -0.265 50 20 CBGD COC(=O)[C@H]1C[C@H]1C(=O)NNC(=O)Cc1ccncc1 266946698 FNOAYICDGYIRQF-ZJUUUORDSA-N 277.280 -0.419 50 20 CBGD C[C@@H](NC(=O)c1ccoc1)C(=O)NNC(=O)C(C)(C)O 276195338 FGPHAMNENBVTNZ-SSDOTTSWSA-N 283.284 -0.684 50 20 CBGD O=S(=O)(CBr)N1CC[C@@H](O)[C@@H](CO)C1 306777321 NBBKNEVWQHDQND-RNFRBKRXSA-N 288.163 -0.656 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1C[C@]12CCOC2 372049537 TZTFZKKCGUXBMR-YGRLFVJLSA-N 297.355 -0.135 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNC(=O)Cc1ccncc1 373225761 CRJUUOLGKSRWLZ-LBPRGKRZSA-N 292.339 -0.508 50 20 CBGD COC(=O)NNC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 490636747 VTIDIKFEKIIFQD-RKDXNWHRSA-N 297.311 -0.061 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCN2C(=O)OC[C@@H]2C1 493976065 YSZMSODCHAOJOF-VIFPVBQESA-N 298.343 -0.684 50 20 CBGD COC(=O)NNC(=O)c1c(C)nn(C)c1-n1cccn1 495548467 LKNXPYQNXHPASS-UHFFFAOYSA-N 278.272 -0.085 50 20 CBGD Cn1nnc(CNC(=O)NNC(=O)OC(C)(C)C)n1 496079266 CWAOLPGLRKCNON-UHFFFAOYSA-N 271.281 -0.551 50 20 CBGD O=C(NCCOCC1CC1)c1cc(B(O)O)ccc1F 584943329 HSNKQLKPNLJOKP-UHFFFAOYSA-N 281.092 -0.338 50 20 CBGD O=C(NC[C@H]1CCCS1)c1cccc(B(O)O)c1 584958555 PRTJVSHNGIRFRH-LLVKDONJSA-N 265.143 -0.008 50 20 CBGD C[C@H](CCN(C)C)NCc1ccc(B(O)O)cc1F 585021297 SFYLANQBBXNACV-SNVBAGLBSA-N 268.141 -0.065 50 20 CBGD OC[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NCc1ccc(B(O)O)o1 585041485 YEEKLXPYRUJTOJ-FIQUKUQUSA-N 265.118 -0.544 50 20 CBGD CC(=O)N[C@@H](C(=O)N1CC[C@H](B(O)O)C1)C1CCCC1 585072798 RPBNVQOGVCGKGY-NWDGAFQWSA-N 282.149 -0.243 50 20 CBGD COc1ncc(C(=O)NNC(=O)c2ccccn2)cn1 733949322 VKHFJRZAKVRNAX-UHFFFAOYSA-N 273.252 -0.045 50 20 CBGD CCCNC(=O)NNC(=O)c1cnc(OC)nc1 733954230 XBFYAHSHFQMYCX-UHFFFAOYSA-N 253.262 -0.161 50 20 CBGD CC(C)CN(CCC(=O)O)CC(=O)NNC(=O)C1CC1 736433065 SVOZIZNCTDSFFD-UHFFFAOYSA-N 285.344 -0.024 50 20 CBGD Cn1cc(C=NNC(=O)NC2CCCC2)c(=O)n(C)c1=O 743531371 STJTXRFSLBNBLO-UHFFFAOYSA-N 293.327 -0.340 50 20 CBGD C[C@@H](O)CCN(C)CC(=O)NNC(=O)C(C)(C)C 744406399 JTHVTBBJPZUGGI-SECBINFHSA-N 259.350 -0.117 50 20 CBGD Cc1nc(-c2ncccn2)sc1C(=O)NNC(=O)CO 753446000 YCSMMJJJZAKTRU-UHFFFAOYSA-N 293.308 -0.338 50 20 CBGD Cn1cc(CC(=O)NNC(=O)CO)c2ccccc21 753451825 JALOCLBLTUWRJB-UHFFFAOYSA-N 261.281 -0.140 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@H](CC(=O)OC)C1CC1 754519711 HRBVRHLMLXHFNH-PSASIEDQSA-N 285.344 -0.136 50 20 CBGD CNc1nnc(CC(=O)NNC(=O)c2ccc[nH]2)s1 759393434 WRGPHYKUYJWWKP-UHFFFAOYSA-N 280.313 -0.088 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CC1(O)CCC1 759876049 GTFFXTFQBVIUHS-SECBINFHSA-N 257.334 -0.221 50 20 CBGD COCC(=O)NNC(=S)NCC(C)(C)CN(C)C 761837406 HYLHYEJWNLEHOQ-UHFFFAOYSA-N 276.406 -0.284 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@](C)(O)C1 767018423 PZNOPGUJKZPKSB-SKDRFNHKSA-N 257.334 -0.221 50 20 CBGD COc1cc(C)nc(NNC(=O)Cn2cnc(C#N)n2)n1 769249500 AUZGBWZXSTVAFX-UHFFFAOYSA-N 288.271 -0.600 50 20 CBGD COC(=O)CNC(=O)NN=C1CCN(C)[C@@H](C)C1 779816072 HALAGUFXCQFDJP-QMMMGPOBSA-N 256.306 -0.071 50 20 CBGD CON=CC(=O)NNC(=O)COc1ccccc1O 809671993 ICBDDPWYQKLHIV-UHFFFAOYSA-N 267.241 -0.449 50 20 CBGD O=C(CN1CC[C@@H](n2cccn2)C1)NNC(=O)C1CC1 812875584 VPWTYWPEULVJSG-LLVKDONJSA-N 277.328 -0.313 50 20 CBGD O=C(NNc1nc[nH]n1)c1cc2c(cc1O)OCO2 816632311 CKDUNKLWLAPRGO-UHFFFAOYSA-N 263.213 -0.004 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCC(=O)O)n1 818814450 YUSUGJVWYKJXPK-UHFFFAOYSA-N 283.288 -0.695 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CC(c2cccnc2)=NO1 823927891 IKGFHJGVZKIJAT-SKDRFNHKSA-N 278.312 -0.082 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(CN(C)C)CC1 824017018 YBEPWFXAERHJSA-VHSXEESVSA-N 269.345 -0.099 50 20 CBGD O=C(Cc1ccc(F)cc1)NNC(=O)N[C@H]1[C@@H]2CNC[C@@H]21 841999913 NDELABKJFVANCC-PJXYFTJBSA-N 292.314 -0.084 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)C1CCNCC1 843346514 PLRAXTPCXUNHPQ-UHFFFAOYSA-N 254.334 -0.772 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(O)nc1 843641172 RZGZCPPGCNSUTD-CBAPKCEASA-N 265.269 -0.027 50 20 CBGD C#CCN1CCC(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1 843644735 CZWYTZRSRZIVHA-DGCLKSJQSA-N 293.367 -0.096 50 20 CBGD O=C(CC1CC1)NNC(=O)[C@H]1CCCS1(=O)=O 848144385 SBNKWUBYDPMCOV-MRVPVSSYSA-N 260.315 -0.489 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@](C)(O)COC 854386805 ULYGVVXQVNODAZ-NSHDSACASA-N 292.332 -0.680 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 858125713 LNPUMQFFIVYTNK-JGVFFNPUSA-N 270.358 -0.418 50 20 CBGD CSC1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 858406131 YBMJPNHBWKTKDY-SSDOTTSWSA-N 286.357 -0.509 50 20 CBGD CC(=O)N[C@@H](C(=O)NNC(=O)c1ncccn1)C(C)C 862006072 QHXLQUFIIWUABO-SECBINFHSA-N 279.300 -0.602 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1CC12CCCC2 863462733 JHEUDZMLGCCZGD-QMMMGPOBSA-N 274.342 -0.241 50 20 CBGD CN(CC(=O)NNC(=O)C(=O)N1CCCC1)C1CCC1 863863034 RUSIEOCQHYNUBJ-UHFFFAOYSA-N 282.344 -0.760 50 20 CBGD CC(C)(CN1CCOCC1)C(=O)NNC(=O)C1CC1 873750876 KRHBRZNQIZSVPO-UHFFFAOYSA-N 269.345 -0.098 50 20 CBGD COC(=O)N(C)NC(=O)NC[C@H]1CCOC[C@H]1OC 875635757 GGDBEZRQIKTFFX-RKDXNWHRSA-N 275.305 -0.050 50 20 CBGD Cc1cc(=NNC(=O)NCCN2CCNC2=O)cc[nH]1 891067500 JUGJJBPDOCBCED-UHFFFAOYSA-N 278.316 -0.537 50 20 CBGD COCCn1cc(C(=O)NN(C)C[C@H](C)O)cn1 910183995 OXLCBSPNGFZYNG-VIFPVBQESA-N 256.306 -0.513 50 20 CBGD CCC[C@@H](OCC)C(=O)NNC(=O)CN1CCCC1=O 913734665 WXYBQWKARKIGLL-SNVBAGLBSA-N 285.344 -0.039 50 20 CBGD O=C(N[C@H](CO)C[C@@H]1CCCO1)c1ccc(B(O)O)cc1 923751290 ZIWODDCOBWINTR-STQMWFEESA-N 293.128 -0.974 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@](C)(OC)C1CC1 1117663474 LSHNWDBJHIXULA-LLVKDONJSA-N 273.289 -0.695 50 20 CBGD CCC(=O)N1CC[C@H](C(=O)NNc2cnnn2C)C1 1118771097 ZWLIHXMYMWIFGR-QMMMGPOBSA-N 266.305 -0.483 50 20 CBGD Cc1ccoc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1118971130 TXGREYCLWJTXSW-ZETCQYMHSA-N 251.242 -0.372 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)c2cnn(C)c2)CC1=O 1251911732 WHKJNRYYAILESG-MRVPVSSYSA-N 279.300 -0.951 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@@H]1CCC(=O)N1 1261745881 TVXVBNJPBAPSCX-XHNCKOQMSA-N 269.301 -0.773 50 20 CBGD C[C@@H](NNC(=O)Cn1cnc([N+](=O)[O-])n1)C(F)(F)F 1329521465 IHSLOOPLZVXMIC-SCSAIBSYSA-N 282.182 -0.242 50 20 CBGD Cn1ccnc(NNC(=O)COCc2ccccn2)c1=O 1334308557 OQWWGYDKUYLBJV-UHFFFAOYSA-N 289.295 -0.165 50 20 CBGD Cn1nncc1NNC(=O)c1c2c(nn1C)CCC2 1335582343 LAUUHHGZKYQDEI-UHFFFAOYSA-N 261.289 -0.206 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNc1ncc(F)cn1 1336371012 UGISAAFCHSLCTQ-SECBINFHSA-N 269.280 -0.221 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CC[C@H]1C(=O)O 1589415647 KJJHKMRNLZGODR-RBXMUDONSA-N 270.285 -0.330 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccc(-c2nn[nH]n2)o1 1591216386 ZYRAFVWPNPOFSU-UHFFFAOYSA-N 281.301 -0.459 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)C2CC2)O[C@H]1C(=O)O 1599876064 OTTHBRBQNXUQMV-LPBLVHEISA-N 256.258 -0.578 50 20 CBGD O=C(NNC(=O)C(=O)O)NC1CCN(C2CCC2)CC1 1601553189 WZOOVZIMFVZDDK-UHFFFAOYSA-N 284.316 -0.582 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CC[C@H]2C(=O)O)ccc1=O 1605481159 ODXMSQCADLJOPL-RKDXNWHRSA-N 293.279 -0.743 50 20 CBGD COc1cccc(C(=O)NNC(=O)C(=O)NC2CC2)c1 8392100 CQYZFPGQLWWKMS-UHFFFAOYSA-N 277.280 -0.265 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)CCNC(N)=O 144787953 HCYMCDMGWXTNEY-UHFFFAOYSA-N 294.311 -0.557 50 20 CBGD CC(C)(C)C(=O)NCC(=O)NNc1ncnc2nc[nH]c12 173956714 OSUAQMIADPVYLA-UHFFFAOYSA-N 291.315 -0.042 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)Cc1ccoc1 184750923 PIVFTSWROVTMLI-UHFFFAOYSA-N 291.263 -0.008 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)c2ccc(Cl)nc2)C1 191748280 HXDBJDFLRFXWMO-UHFFFAOYSA-N 296.714 -0.026 50 20 CBGD C=CCNC(=S)NNC(=O)c1nccnc1N 205665249 DBLWWQXKHROJPT-UHFFFAOYSA-N 252.303 -0.646 50 20 CBGD COc1ccc(NNC(=O)N[C@@H]2CCN(C)C2=O)nc1 276041793 XTKMDYHUNYNPMU-SECBINFHSA-N 279.300 -0.053 50 20 CBGD CNC(=O)NNC(=O)C1=C(C)N(C)c2ncnn2[C@H]1C 281538560 IMPUCNIYGUSGCE-ZETCQYMHSA-N 279.304 -0.477 50 20 CBGD C[C@](O)(C(=O)NNC(=O)Cc1ccncc1)C1CC1 287809134 JRBXNACPMDRVGT-CYBMUJFWSA-N 263.297 -0.068 50 20 CBGD COC(=O)NNS(=O)(=O)c1cc(C(=O)O)ccc1O 493076526 YIJTXPMTKRYJTO-UHFFFAOYSA-N 290.253 -0.360 50 20 CBGD O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)c1cc(B(O)O)ccc1F 584978820 DKQBYCJZOLTROD-ZWKOPEQDSA-N 293.103 -0.197 50 20 CBGD C[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)CC[S@]1=O 584982451 KXNGUPRPYFWWDQ-WVDJIFEKSA-N 295.169 -0.651 50 20 CBGD CCN1CCN(C(=O)c2ccc(B(O)O)c(F)c2)[C@@H](C)C1 584988161 GEAOOVHQXUUDPC-JTQLQIEISA-N 294.135 -0.328 50 20 CBGD CC[C@H]1C(=O)N(C)CCN1C(=O)c1cccc(B(O)O)c1 585005199 AUIAHSWHUNNDHE-LBPRGKRZSA-N 290.128 -0.941 50 20 CBGD N#C[C@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 585006382 UPGJGYWOEHDLPM-MRVPVSSYSA-N 262.049 -0.509 50 20 CBGD OB(O)c1cccc(CNCCCN2CCCC2)c1 585032191 CNNZVPQDAAPOHX-UHFFFAOYSA-N 262.162 -0.058 50 20 CBGD C[C@@H](NCc1cccc(B(O)O)c1)C(=O)N1CCCCC1 585038473 AOMCPBMGJAXNSK-GFCCVEGCSA-N 290.172 -0.143 50 20 CBGD O=C(NCB(O)O)c1ncn2cc(Cl)ccc12 585062696 MFHLAMWARJGZNL-UHFFFAOYSA-N 253.454 -0.271 50 20 CBGD CCO[C@H](CC)C(=O)NNC(=O)Cc1cc[nH]n1 730090516 FIQFLCQXGIRIJF-SECBINFHSA-N 254.290 -0.085 50 20 CBGD CC(C)S(=O)(=O)CC(=O)NNC(=O)C1CCC1 732141297 FVKSQBCPVHYFNC-UHFFFAOYSA-N 262.331 -0.243 50 20 CBGD CCCNC(=O)CCCC(=O)NNC(=O)N(C)C 732755715 ZNINXNSRKOJTDY-UHFFFAOYSA-N 258.322 -0.015 50 20 CBGD CC(C)[C@H](C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 733092450 GQIMJZCUPITAGY-IUCAKERBSA-N 276.358 -0.139 50 20 CBGD CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CN(C)C)o1 735940082 VNOAEQVGVVTTNA-UHFFFAOYSA-N 294.319 -0.017 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCSCC(=O)O 738828200 REFFHQCKVYWZQB-UHFFFAOYSA-N 286.313 -0.313 50 20 CBGD COCC(=O)OCC(=O)NNC(=O)c1cccc(C)c1 744490112 OWILSSSYOOWBMG-UHFFFAOYSA-N 280.280 -0.054 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NNC=C(C#N)C#N 747826961 HTQHXNKXQJJREI-JTQLQIEISA-N 263.301 -0.493 50 20 CBGD CC(C)CC(=O)NNC(=O)N[C@@H]1CCCN(C)C1=O 748663584 OEEKNYGMKSCYAB-SECBINFHSA-N 270.333 -0.016 50 20 CBGD O=C(CO)NNC(=O)c1cccc(Cn2ccnc2)c1 753436752 CIJGPOVWWUWJBO-UHFFFAOYSA-N 274.280 -0.315 50 20 CBGD C[C@H](NC(=O)CC1CCCCC1)C(=O)NNC(=O)CO 753445057 FGEKIXYUZOAIKV-VIFPVBQESA-N 285.344 -0.399 50 20 CBGD CCn1cc(NC(=O)NNC(=O)CO)ccc1=O 756167050 VXKWBUYHWMFXOC-UHFFFAOYSA-N 254.246 -0.987 50 20 CBGD NC(=O)CCOc1ccc(NC(=O)NNC(=O)CO)cc1 756503164 LIDJSSUPYWJDTK-UHFFFAOYSA-N 296.283 -0.914 50 20 CBGD CCCCNC(=O)NNC(=O)Cn1cnc(C#N)n1 769146723 KQQBOYMCMZEREB-UHFFFAOYSA-N 265.277 -0.720 50 20 CBGD CCN(CC)CC(=O)NNc1nc(O)c2cnn(C)c2n1 770985093 YJRORWGZJDXWKO-UHFFFAOYSA-N 293.331 -0.146 50 20 CBGD O=C(CO)NNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 777781666 AHMNIVUKVGKFKX-UHFFFAOYSA-N 294.267 -0.078 50 20 CBGD CN(NC(=O)CCCS(=O)(=O)N1CCCC1)C(N)=O 778419062 ZMFDMWXDBYOONX-UHFFFAOYSA-N 292.361 -0.766 50 20 CBGD COC[C@H](CNC(=O)NNC(=O)Cc1cccnc1)OC 781386976 DREIVUZEGKBVKW-NSHDSACASA-N 296.327 -0.384 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2CCCN2C2CC2)nc1O 787866548 RVOJSYXVXIGIJR-SECBINFHSA-N 278.316 -0.044 50 20 CBGD COC(=O)c1c(C)csc1NC(=O)C(=O)NNC(C)=O 806972777 LDIIKNCELXNITA-UHFFFAOYSA-N 299.308 -0.051 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C=O)c[nH]1 815252086 AGNLVOVNUYFSID-SSDOTTSWSA-N 281.268 -0.070 50 20 CBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NN(C)C1CC1 819647867 SLEJXQJIIBHQIP-NSHDSACASA-N 282.344 -0.761 50 20 CBGD C[C@H](CC(=O)NNC(=O)N1CCN(C)CC1)n1cccn1 819934174 ISLUEOYNHAIDTB-LLVKDONJSA-N 294.359 -0.178 50 20 CBGD COC(=O)N(C)NC(=O)/C=C1\SCC(=O)N1C 822838021 MBENQYCPIKQSEC-YWEYNIOJSA-N 259.287 -0.238 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 823935496 SGFRCZQGJHRPRK-KXUCPTDWSA-N 257.334 -0.378 50 20 CBGD NNC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 825639138 KWPYLOPELPBDRM-VHSXEESVSA-N 253.302 -0.583 50 20 CBGD CCS(=O)(=O)N[C@H](C)C(=O)NNc1ncc(F)cn1 831352298 WTGHXCSAOPVFAG-ZCFIWIBFSA-N 291.308 -0.613 50 20 CBGD O=C(O)c1ccc(O)c(C=NNC(=O)[C@@H]2COCCO2)c1 833322045 UISYBSUJUMWDHO-NSHDSACASA-N 294.263 -0.044 50 20 CBGD O=C(NN=Cc1cnc2n1CCC2)C(=O)N1CCCC1 853298163 NLTOZDJQASIANP-UHFFFAOYSA-N 275.312 -0.098 50 20 CBGD O=C(COC[C@@H]1CCCO1)NNC(=O)c1cc[nH]n1 855358283 DYPYHEMKZFSEJL-QMMMGPOBSA-N 268.273 -0.634 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)c1cccc(OC)c1O 857012963 ZULLQSCONJTZTL-JTQLQIEISA-N 298.295 -0.177 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(N)=O)[nH]1 857294326 DENSWXZMBNAADS-RQJHMYQMSA-N 280.284 -0.700 50 20 CBGD CC(C)[C@H](CN(C)C)NC(=O)c1cccc(B(O)O)c1 865800951 UFYSEACLPWGSEZ-ZDUSSCGKSA-N 278.161 -0.318 50 20 CBGD COCCOCC(=O)NNC(=O)Cc1ccoc1 869907985 VHSUALFMPYYNTJ-UHFFFAOYSA-N 256.258 -0.368 50 20 CBGD CC(C)CC(=O)NNC(=O)CN1CCCCS1(=O)=O 878007962 QKDCDBCNSJPMNV-UHFFFAOYSA-N 291.373 -0.395 50 20 CBGD CCn1cc(C(=O)NNC(=O)CO)c(C2CC2)n1 879395521 NIIUGOREKVTEBC-UHFFFAOYSA-N 252.274 -0.466 50 20 CBGD COC1CCC(C(=O)NNC(=O)CN2CCCC2=O)CC1 913732127 IYWSIXDMKRJAGL-UHFFFAOYSA-N 297.355 -0.039 50 20 CBGD CCC(=O)NNS(=O)(=O)c1ccc(C(=O)OC)nc1 1116446603 DMQLUOYRDWRWSW-UHFFFAOYSA-N 287.297 -0.412 50 20 CBGD COC(=O)N(C)NC(=O)[C@H]1CCS(=O)(=O)C1 1117499439 AFBUKQMBADZLNU-LURJTMIESA-N 250.276 -0.850 50 20 CBGD C#CCN1CCC(C(=O)NNc2nccn(C)c2=O)CC1 1252519465 XWQJDSZNZAIYQN-UHFFFAOYSA-N 289.339 -0.431 50 20 CBGD Cn1cc(C(=O)NNC(=O)CC[C@@]2(C)CCC(=O)N2)cn1 1254636317 IGCPWYAXMSWOAL-CYBMUJFWSA-N 293.327 -0.370 50 20 CBGD CN(C)C1(CNC(=O)NNC(=O)c2cccnn2)CCC1 1262031890 DXUNQWCDTQVQJY-UHFFFAOYSA-N 292.343 -0.095 50 20 CBGD CN(C)CC(=O)NN=C1CCC2(CC1)NC(=O)NC2=O 1319516806 BIRCNZXWZQBJEI-UHFFFAOYSA-N 281.316 -0.828 50 20 CBGD O=C(CCl)NCCS(=O)(=O)NC[C@@H]1CCCCO1 1320465235 FGGDGXFBMAPJCU-VIFPVBQESA-N 298.792 -0.170 50 20 CBGD CS(=O)(=O)C1(C(=O)NNc2cccnn2)CCC1 1321051040 KMQOKYZEAQLTOM-UHFFFAOYSA-N 270.314 -0.113 50 20 CBGD O=C(CCO)NNC(=O)C(=O)N1CCc2cc(F)ccc21 1321312094 RDKPBOWDWICPDD-UHFFFAOYSA-N 295.270 -0.755 50 20 CBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cc(C)cc(C)c1 1321667690 LNGNFZMWDKCFMF-UHFFFAOYSA-N 293.279 -0.438 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H](C)N1C(=O)CCC1=O 1322392059 CKSNDNMMIPBQRC-SSDOTTSWSA-N 286.357 -0.572 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCc1ccn(C)n1 1325974566 CRGJFNIRVBCZNN-ONGXEEELSA-N 295.343 -0.282 50 20 CBGD Cc1nc(C(=O)NN(C)C2CC2)nn1-c1nc[nH]n1 1326169821 JEKSZKOCFYLUHH-UHFFFAOYSA-N 262.277 -0.567 50 20 CBGD CS(C)(=O)=NS(=O)(=O)NNC(=O)c1ccccn1 1326405326 DBYFBLMMEULQPZ-UHFFFAOYSA-N 292.342 -0.712 50 20 CBGD CC1(NC(=S)NNC(=O)C(=O)NC2CC2)CC1 1327621195 PXHFMNSUTUQDPQ-UHFFFAOYSA-N 256.331 -0.687 50 20 CBGD CC(C)NC(=S)NNC(=O)C[C@H]1CCCC(=O)N1 1327650042 LMFLCDPCVLNBCO-MRVPVSSYSA-N 272.374 -0.051 50 20 CBGD COC/C(C)=C\C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1330108232 NNOIAKCZSKEVFY-TVSKSKRASA-N 255.274 -0.995 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)N1 1330109517 WBCWMICWJVSFEC-UYXSQOIJSA-N 279.296 -0.972 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)NNC(=O)C1CCCC1 1331298992 YMGJCEMXSHKKTN-UHFFFAOYSA-N 280.288 -0.425 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H](C)c1noc(C)n1 1337753735 VGYNJAIRTVANSN-BQBZGAKWSA-N 269.305 -0.025 50 20 CBGD NC(=O)c1cc(C(=O)NNc2nc3ccccn3n2)c[nH]1 1338932905 YOCBRWHBFJSZCM-UHFFFAOYSA-N 285.267 -0.087 50 20 CBGD COCCOCC(=O)NNC(=O)c1cnn(C)c1Cl 1352008781 COONVYSKGFWWCX-UHFFFAOYSA-N 290.707 -0.503 50 20 CBGD O=C(CC1CC1)NNC(=O)c1cccc(-c2nn[nH]n2)n1 1592813640 RSWQUMPHDVWGEX-UHFFFAOYSA-N 287.283 -0.177 50 20 CBGD O=C(NCCc1ccc(F)cc1F)NNC(=O)C(=O)O 1601510700 LGQBSWGXJUWZFB-UHFFFAOYSA-N 287.222 -0.078 50 20 CBGD O=C(O)CCCCC(=O)NNC(=O)c1cnn[nH]1 1601982315 NHTKMGKSJINGML-UHFFFAOYSA-N 255.234 -0.789 50 20 CBGD COC(=O)N(C)NC(=O)Nc1ccnc(-c2nn[nH]n2)c1 1604949850 OLVMYNBWKWVICN-UHFFFAOYSA-N 292.259 -0.004 50 20 CBGD CCOC(=O)NNC(=O)COCc1ocnc1C(=O)O 1605552140 XHJDIJMZLCWGOC-UHFFFAOYSA-N 287.228 -0.333 50 20 CBGD CO[C@H]1C[C@H](C(=O)O)CN(S(=O)(=O)CCl)C1 1777159180 MQNBXQSTEIYJDP-BQBZGAKWSA-N 271.722 -0.066 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](C(=O)NC)C1 111264758 BCGIHKGUXMUXRC-ZJUUUORDSA-N 284.360 -0.610 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cccc(-n2ccnn2)c1 131423030 IIAXGAZFJNMTLA-UHFFFAOYSA-N 288.311 -0.410 50 20 CBGD O=C(CN1CC(=O)N[C@@H]2CCCC[C@@H]21)NNC(=O)C1CC1 132228873 GWVSHDGIEMBSNU-MNOVXSKESA-N 294.355 -0.713 50 20 CBGD CNC(=O)NCC(=O)NNc1ccc(C(=O)OC)cn1 270858960 MWNDFCQIJLPLAY-UHFFFAOYSA-N 281.272 -0.760 50 20 CBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccsc1 285026101 HIWHCPXEPCFDHM-UHFFFAOYSA-N 293.326 -0.586 50 20 CBGD C/C=C/C=C\C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 491250834 VPGPXUJVWIVTDR-NUTWUSADSA-N 287.341 -0.364 50 20 CBGD CCN1CC[C@H](N(C)C(=O)c2cc(B(O)O)ccc2F)C1 584941596 LVCPJDADEGQRIC-NSHDSACASA-N 294.135 -0.328 50 20 CBGD C[C@H](NC(=O)c1cccc(B(O)O)c1)[C@H]1CCCOC1 584972102 NCGDMDSDPXALEK-JQWIXIFHSA-N 277.129 -0.089 50 20 CBGD C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)CC[C@@H]1O 584975103 SUUMFJIQWSPQNZ-CABZTGNLSA-N 263.102 -0.791 50 20 CBGD C[C@@H]1C[C@@H](CO)CN(C(=O)c2cccc(B(O)O)c2)C1 585000990 SKCMAWJMUUDUMK-GHMZBOCLSA-N 277.129 -0.543 50 20 CBGD CCN(CC)C(=O)CNCc1ccccc1B(O)O 585019378 LEHXMKPUWWGKQD-UHFFFAOYSA-N 264.134 -0.676 50 20 CBGD C[C@@H]([C@@H](C)NCc1ccccc1B(O)O)N1CCOCC1 585024121 QPJZIJLVTPJSPL-OLZOCXBDSA-N 292.188 -0.435 50 20 CBGD OB(O)c1ccc(CN[C@H]2COc3ccccc3[C@@H]2O)cc1 585041913 XHRBJSKKEXUIBC-HOCLYGCPSA-N 299.135 -0.049 50 20 CBGD CO[C@@H]1COCC[C@H]1CNCc1ccccc1B(O)O 585043633 PSWDICZUMPLZRY-GXTWGEPZSA-N 279.145 -0.493 50 20 CBGD CCC(CC)[C@H](C(=O)NCB(O)O)N1CCOCC1 585061604 WONFRLYCWYSSLK-LLVKDONJSA-N 272.154 -0.748 50 20 CBGD C[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)CCCCl 711779519 NSHYHHCJSWCRJI-SFYZADRCSA-N 289.806 -0.032 50 20 CBGD O=C(NNC(=O)C1(C(=O)NC2CC2)CC1)c1ccncc1 726155569 VOCIWIHZXFHLIM-UHFFFAOYSA-N 288.307 -0.099 50 20 CBGD CN1CCCC[C@@H]1C(=O)NNC(=O)C(=O)N1CCCC1 732279038 DSXPWGLYPNQNAQ-SNVBAGLBSA-N 282.344 -0.760 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CNC1(C(N)=O)CCCCC1 755980821 QOIMMSRLLPHRKS-UHFFFAOYSA-N 298.387 -0.042 50 20 CBGD Cn1ccnc(NC(=O)NNc2cnccn2)c1=O 757904711 BEOQWAXGFJLKKM-UHFFFAOYSA-N 261.245 -0.281 50 20 CBGD Cc1ccc(NNC(=O)NC[C@H]2CCCS2(=O)=O)nn1 765890718 MOSUDNIFTLPELA-SECBINFHSA-N 299.356 -0.012 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CC(=O)N(C3CC3)C2)n[nH]1 768276751 GWTGBQXIUTUBCU-QMMMGPOBSA-N 291.311 -0.510 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 776596250 MKKRBTABRXTROG-JTQLQIEISA-N 280.280 -0.255 50 20 CBGD COc1ccc(OC)c(C(=O)NNC(=O)CO)c1 777781073 GIJZZZNOOULBGJ-UHFFFAOYSA-N 254.242 -0.543 50 20 CBGD COC(=O)CNC(=O)NN=Cc1c(C)nn(C)c1C 779822621 GUYBYSYSLLWGFT-UHFFFAOYSA-N 267.289 -0.157 50 20 CBGD CCCn1cc(C(=O)NNC(=O)C(=O)N2CCCC2)cn1 781957369 JKHPPEUXVXJUBA-UHFFFAOYSA-N 293.327 -0.324 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cccc(C(N)=O)n2)n[nH]1 782027609 BIQKOHOHUULVEE-UHFFFAOYSA-N 288.267 -0.713 50 20 CBGD N#C/C(=C/C1CC1)C(=O)OCC(=O)N1CCNC1=O 786673714 KTSRQEIHVJWCFE-UITAMQMPSA-N 263.253 -0.059 50 20 CBGD Cc1ccccc1C(=O)NNS(=O)(=O)c1cnnn1C 790005716 UCRXVBOSDAFQQY-UHFFFAOYSA-N 295.324 -0.253 50 20 CBGD O=C(CN1CCc2ccccc2C1=O)NNc1nc[nH]n1 816633104 NWOUIDGXTCURJV-UHFFFAOYSA-N 286.295 -0.054 50 20 CBGD O=C(NNC(=O)C1CCCC1)c1cnn(C[C@H](O)CO)c1 821754535 HYFXHNSUXCANEA-NSHDSACASA-N 296.327 -0.813 50 20 CBGD COC(=O)N(C)NC(=O)[C@H]1CCCCN(C)C1=O 822838569 ZLCKUWIMMWCOOJ-MRVPVSSYSA-N 257.290 -0.026 50 20 CBGD CCOC(=O)NCCCC(=O)NN(C)[C@H](C)CO 823946240 GEYRLZZNLOQEKA-SECBINFHSA-N 261.322 -0.144 50 20 CBGD COCCCNC(=S)N(C)NC(=O)c1cn[nH]c1 854280709 ZTMPVCONHAABIB-UHFFFAOYSA-N 271.346 -0.103 50 20 CBGD O=C(NNc1ncccc1F)C1=NN2CCCN=C2N1 854415595 LFOGVNXEDGXWFR-UHFFFAOYSA-N 277.263 -0.358 50 20 CBGD CNC(=S)N(C)NC(=O)C[C@H]1CCCC(=O)N1 854921457 RWJHKGHJPKETHX-SSDOTTSWSA-N 258.347 -0.488 50 20 CBGD Cc1cc(C)nc(NNC(=O)CN2CC(=O)N(C)C2=O)n1 858265295 TXJOPSTWVXCGLR-UHFFFAOYSA-N 292.299 -0.569 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2nccs2)N1 860229378 DYGCFGCRFCCJGI-RXMQYKEDSA-N 269.286 -0.426 50 20 CBGD CN1C(=O)CN(CC(=O)NNC(=O)CC(C)(C)C)C1=O 863866233 CACYBMISQQRBEY-UHFFFAOYSA-N 284.316 -0.536 50 20 CBGD C=CCN(CC(=O)OCC)C(=O)c1cccc(B(O)O)c1 866989700 IGPDLQAGZOHIHX-UHFFFAOYSA-N 291.112 -0.442 50 20 CBGD Cc1cc(CC(=O)NNC(=O)C[C@H]2CCCO2)n[nH]1 869012883 FRJPYGWRMNPGMD-SNVBAGLBSA-N 266.301 -0.023 50 20 CBGD CC[C@@H](NC(=O)NNC(=O)CN(C)C)C(F)F 881014285 LMGDUJJHRKPLLY-ZCFIWIBFSA-N 252.265 -0.078 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc(C2CC2)nn1C 894134280 IIMJYVTXKZLUAG-UHFFFAOYSA-N 265.317 -0.380 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cnc2sccn2c1=O 910180705 ZDMUFUBHRYVCKW-SSDOTTSWSA-N 282.325 -0.287 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1 1116451772 IXIYSPGKJYJIFC-RNFRBKRXSA-N 292.299 -0.063 50 20 CBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(F)c1 1116712219 VCIDCLBXWCYPEU-UHFFFAOYSA-N 297.242 -0.607 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CCC(=O)C1 1118980527 KVJVDFVXVNKEFE-MRVPVSSYSA-N 258.274 -0.834 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@@H]1CCC(=O)N1 1119008760 CRLURRQLPHUUPY-BYPYZUCNSA-N 253.180 -0.635 50 20 CBGD CCOCC(=O)NNC(=O)NC1CCN(C)CC1 1318340248 MHUMRGVCFITGSK-UHFFFAOYSA-N 258.322 -0.553 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)N1CCN(C)CC1 1318430861 DKUHIHCCBZDMHC-SNVBAGLBSA-N 294.359 -0.885 50 20 CBGD CSCCNC(=S)NNC(=O)c1nccnc1N 1319961583 BNOSCXMWUNWZGE-UHFFFAOYSA-N 286.386 -0.469 50 20 CBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1C 1320711705 SVOXLYYCSTUSEF-UHFFFAOYSA-N 293.279 -0.438 50 20 CBGD CCOCC(=O)NNC(=O)NCc1cnn(C)c1 1322588813 GTZQHBHIZHQDTF-UHFFFAOYSA-N 255.278 -0.713 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCCOC1CCCC1 1323453408 DZAYOEMKYBUQLD-UHFFFAOYSA-N 287.316 -0.161 50 20 CBGD C#Cc1ccc(C(=O)NNc2nccn(C)c2=O)nc1 1323508356 NIZYUTSSERATDN-UHFFFAOYSA-N 269.264 -0.087 50 20 CBGD CNC(=O)NNC(=O)CCc1nc(N(C)C)no1 1324191423 HLVSPGXENGEYEM-UHFFFAOYSA-N 256.266 -0.972 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)C1(O)CCOCC1 1329335155 WKVFSIPQBNDVLG-UHFFFAOYSA-N 270.207 -0.372 50 20 CBGD Cn1cncc1CNC(=O)NNC(=O)Cc1ccncc1 1329454330 OZUYTPDPFQXJHO-UHFFFAOYSA-N 288.311 -0.112 50 20 CBGD CNC(=O)c1cccc(C(=O)N2CC[C@@H](B(O)O)C2)c1 1331826237 IBHWLGPCLITIPZ-LLVKDONJSA-N 276.101 -0.265 50 20 CBGD C=CCC[C@H](NCc1ccc(B(O)O)cc1)C(=O)O 1332422694 ITZLGYKUVMABIU-LBPRGKRZSA-N 263.102 -0.125 50 20 CBGD CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)C(=O)N1CCCC1 1335771452 GNZBWUVWBPAWHL-NXEZZACHSA-N 283.328 -0.429 50 20 CBGD CCOc1cc(C(=O)NNC(=O)C(C)(C)O)[nH]n1 1347750564 CSOPXUCIUAITCL-UHFFFAOYSA-N 256.262 -0.660 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1C[C@H]1F 1521074415 URIAJUUOODYGCZ-JGVFFNPUSA-N 259.281 -0.203 50 20 CBGD CN(NC(=O)OCc1ccccc1)C(=O)[C@H](N)CO 1573882883 RZOUCOHQUZDSAU-SNVBAGLBSA-N 267.285 -0.394 50 20 CBGD CN1C[C@H](C(=O)NNc2ncccc2C(=O)O)NC1=O 1574023109 SUGXYLGRFJKHMT-SSDOTTSWSA-N 279.256 -0.754 50 20 CBGD C[C@]1(C(=O)NNc2ccc(C#N)cn2)CNCCO1 1576349782 IIYAQJJGCPYDPB-GFCCVEGCSA-N 261.285 -0.225 50 20 CBGD Cn1cc(C(=O)NNC(=O)C[C@H](N)C(C)(C)C)nn1 1579953146 KYTMBUIJUKLJRA-QMMMGPOBSA-N 268.321 -0.660 50 20 CBGD N#C[C@H]1CNC[C@H]1NC(=O)NN=c1cc[nH]c2cccnc12 1580043930 SSVVFLDNKFTGFG-JOYOIKCWSA-N 297.322 -0.211 50 20 CBGD NCCCC(=O)NNC(=O)CCOCC(F)(F)F 1580288943 GDVQEBYJUVFVHU-UHFFFAOYSA-N 271.239 -0.158 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](C(=O)O)[C@@H](C)C1 1589424915 FQOXWWTZPBFQMY-GUBZILKMSA-N 285.344 -0.025 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1)c1cccnn1 1594783223 WRAYLRBQOUICMK-JGVFFNPUSA-N 278.268 -0.262 50 20 CBGD O=C1CC[C@H](C(=O)NNc2ccc(C(=O)O)cn2)CN1 1602639167 YUPJQXBROJGFSM-ZETCQYMHSA-N 278.268 -0.251 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1cncc(C(=O)O)c1 1610099628 LQZRVBPMXCTJRK-UHFFFAOYSA-N 281.272 -0.506 50 20 CBGD CN(C)CC(=O)NNC(=O)Cc1cccc(C(=O)O)c1 1610099916 ZMIBLZPTXPMCNL-UHFFFAOYSA-N 279.296 -0.364 50 20 CBGD CC(=O)NCC(=O)NCC(=O)NNc1ccc(F)cc1 49307986 STZHHTCATHQUKB-UHFFFAOYSA-N 282.275 -0.479 50 20 CBGD CN1CC[C@H](NS(=O)(=O)CBr)C1=O 227979535 RWJKHRNVLMQKKX-YFKPBYRVSA-N 271.136 -0.511 50 20 CBGD O=C(CCc1ccccc1O)NNC(=O)[C@@H]1COCCO1 264351842 CYHJGJMDVRMUGK-LBPRGKRZSA-N 294.307 -0.112 50 20 CBGD CC(=O)NCC(=O)NNC(=O)CSc1ccccc1O 270743874 YHJBJKMKVORZOZ-UHFFFAOYSA-N 297.336 -0.232 50 20 CBGD CCc1nn(C)cc1NC(=O)NNC(=O)CN(C)C 274906001 UQXLXRGYAPBQDZ-UHFFFAOYSA-N 268.321 -0.303 50 20 CBGD C#CCN(C)CC(=O)NNC(=O)Cc1nc(C)cs1 277065723 WPEOXGHXDFFLSF-UHFFFAOYSA-N 280.353 -0.294 50 20 CBGD COC(=O)N(C)NC(=O)c1ccccc1OCC(N)=O 286552296 ZHSCUQOLQXUCBV-UHFFFAOYSA-N 281.268 -0.106 50 20 CBGD O=C(CCc1ccccc1)NNC(=O)[C@@H]1COCCN1 367708135 NXXYXDFRJUURKT-LBPRGKRZSA-N 277.324 -0.245 50 20 CBGD C[C@H](N)CN(C)CC(=O)NNC(=O)c1cccs1 381141437 DOQNEXBMXNRIAR-QMMMGPOBSA-N 270.358 -0.212 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1cnn[nH]1 491207260 NRJFNOWRCBJRIU-UHFFFAOYSA-N 284.276 -0.910 50 20 CBGD CC(=O)N1CC[C@@](C)(C(=O)Nc2cccc(B(O)O)c2)C1 584913493 YAKWVULRHOCWAC-CQSZACIVSA-N 290.128 -0.437 50 20 CBGD N#CCCN(CCC#N)C(=O)c1cc(B(O)O)ccc1F 584933816 GXHMFGZZIQQJHV-UHFFFAOYSA-N 289.075 -0.225 50 20 CBGD CCC(CC)(NC(=O)c1cc(B(O)O)ccc1F)C(N)=O 584938206 VHOUMTRONOZSIF-UHFFFAOYSA-N 296.107 -0.721 50 20 CBGD CCN1CCCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584941007 BECWIMFYKWBNAF-UHFFFAOYSA-N 294.135 -0.327 50 20 CBGD CCN(CCNC(=O)c1ccc(B(O)O)c(F)c1)C1CC1 584944815 WLZQLXCPSSWQRP-UHFFFAOYSA-N 294.135 -0.280 50 20 CBGD CC[C@H]1COCCN1C(=O)c1cc(B(O)O)ccc1F 584949951 HUDUXRTZXCVVCI-JTQLQIEISA-N 281.092 -0.244 50 20 CBGD C[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)[C@@H](C)CN1C 584968734 DIQXTQGCNMMZLZ-UWVGGRQHSA-N 294.135 -0.330 50 20 CBGD CCCCN(CCCO)C(=O)c1ccc(B(O)O)cc1 584970453 CMCRKCVRSNDCRW-UHFFFAOYSA-N 279.145 -0.009 50 20 CBGD CN(C)CC1(NC(=O)c2ccc(B(O)O)cc2)CCC1 584985558 NNHUZFZWLVYKQE-UHFFFAOYSA-N 276.145 -0.420 50 20 CBGD C[C@H]1CCC[C@]1(O)CNC(=O)c1ccc(B(O)O)c(F)c1 584994374 IAMKRYUNLCDEBB-XPTSAGLGSA-N 295.119 -0.214 50 20 CBGD C=CCC[C@@H](CO)NC(=O)c1cc(B(O)O)ccc1F 584999766 LNSMNBQMNACGNP-JTQLQIEISA-N 281.092 -0.438 50 20 CBGD CCN(C(=O)c1ccc(B(O)O)c(F)c1)[C@@H]1CCN(C)C1 585007335 WXCCVHQOVAWBNN-LLVKDONJSA-N 294.135 -0.328 50 20 CBGD CN(CC1=CCCOC1)C(=O)c1ccc(B(O)O)cc1 585008421 VIGDTIZHSSOEQO-UHFFFAOYSA-N 275.113 -0.215 50 20 CBGD CCS(=O)(=O)C[C@@H](C)NCc1ccccc1B(O)O 585024394 VUEJXYJOYHXZAW-SNVBAGLBSA-N 285.174 -0.721 50 20 CBGD OC[C@H](NCc1ccc(B(O)O)cc1F)[C@H]1CCCOC1 585046961 XVXVILRQKSWMON-FZMZJTMJSA-N 297.135 -0.617 50 20 CBGD O=C(NCB(O)O)[C@@H]1CC(=O)N(c2ccccc2)C1 585060693 IEFZYIZDQQMDEU-SECBINFHSA-N 262.074 -0.832 50 20 CBGD CC(C)(C)n1cc(C(=O)C(=O)N2CC[C@H](B(O)O)C2)cn1 585074634 BYUAJKURCKQGCP-JTQLQIEISA-N 293.132 -0.104 50 20 CBGD CCNC(=O)NNC(=O)CNC(=O)c1ccc(C#N)cc1 726986486 FERMRMCUUHQQJC-UHFFFAOYSA-N 289.295 -0.362 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)CN1CCCS1(=O)=O 728609845 JZEQPIUANGUHQO-UHFFFAOYSA-N 291.373 -0.395 50 20 CBGD COC(=O)c1ccc(NC(=O)NNC(=O)CO)cc1 755829671 ZQYTYNIAGDTLTG-UHFFFAOYSA-N 267.241 -0.382 50 20 CBGD CCOCC(=O)NNC(=O)Nc1c(C)ccn(C)c1=O 757632250 YHDWGFVMJYTUSP-UHFFFAOYSA-N 282.300 -0.117 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NN=C1CCN(C)C1=O 761777272 IKTUWJXIXQVPQT-JTQLQIEISA-N 282.344 -0.711 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@@]23CCOC3)cn1 763478405 CDLYKKSOELWAMK-JOYOIKCWSA-N 264.285 -0.392 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2c[nH]cc(C)c2=O)n[nH]1 781430559 AEAMZPOONZFYOE-UHFFFAOYSA-N 275.268 -0.210 50 20 CBGD COCCCN(CCO)S(=O)(=O)CBr 782484334 ZIQZVTKKGHXZLO-UHFFFAOYSA-N 290.179 -0.001 50 20 CBGD Cn1nnc(CNC(=O)NNC(=O)C2CCCC2)n1 787437027 LSJCTEBSKIFTQF-UHFFFAOYSA-N 267.293 -0.769 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@@](C)(C(N)=O)C1 796580815 LPLGHWNIHIQYFK-IINYFYTJSA-N 298.387 -0.234 50 20 CBGD CN(NC(=O)c1cc(F)cc2nn[nH]c12)C(N)=O 800527582 XTSZPADVSWHTAQ-UHFFFAOYSA-N 252.209 -0.248 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)Cc1nncn1C 805823249 DXJYXPNSEXRRTP-SNVBAGLBSA-N 296.375 -0.171 50 20 CBGD Cn1cnc(C(=O)NNC(=O)CC(F)(F)F)n1 810179616 UQPKBRUGGOARPA-UHFFFAOYSA-N 251.168 -0.472 50 20 CBGD COc1cccc(NNC(=O)CN2CCOC2=O)n1 821793282 WGHJDNHYULNPGL-UHFFFAOYSA-N 266.257 -0.015 50 20 CBGD O=C(CN1CCCc2n[nH]cc21)NNC(=O)C1CC1 823141073 RYVNTKDTOGPORU-UHFFFAOYSA-N 263.301 -0.280 50 20 CBGD CCn1nccc1C(=O)NNC(=O)CN1CCCC1=O 823608814 VXYFBPSWDUVSHG-UHFFFAOYSA-N 279.300 -0.714 50 20 CBGD CN(NC(=O)c1ccc(-c2nn[nH]n2)s1)C(N)=O 826004470 ZBBGTSDILIVNRP-UHFFFAOYSA-N 267.274 -0.417 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H]([C@@H](C)N)C1 843365174 DNFTXOKJRGFNDU-UTLUCORTSA-N 256.350 -0.399 50 20 CBGD COC(=O)C12CC(C(=O)NNC(=O)c3cnn(C)c3)(C1)C2 843550725 HKXTWDPHHGNJDS-UHFFFAOYSA-N 292.295 -0.476 50 20 CBGD C=C[C@H](O)C(=O)NNC(=O)C(C)(OCC)OCC 854388733 VSFOZKDAKBLBCH-QMMMGPOBSA-N 260.290 -0.530 50 20 CBGD C#CCCCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858295637 HEYZTXKBAKVGCN-SECBINFHSA-N 266.301 -0.601 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2COc3ccccc32)N1 862455134 MSPGMOIEIFRXQM-VHSXEESVSA-N 289.291 -0.411 50 20 CBGD COc1cc(C)cnc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862458639 HHNDSPQGASFFPN-MRVPVSSYSA-N 292.295 -0.562 50 20 CBGD Cc1coc(C)c1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862459726 AKFOAQAWQZJVDN-MRVPVSSYSA-N 265.269 -0.064 50 20 CBGD CC(C)OC(=O)[C@H](C)CNC(=O)c1cccc(B(O)O)c1 863873889 LDBCUFQKUGYACC-SNVBAGLBSA-N 293.128 -0.316 50 20 CBGD COC(=O)[C@@H](C)N(C)C(=O)c1cc(B(O)O)ccc1F 863880523 CDWUEUDHDWBNNT-SSDOTTSWSA-N 283.064 -0.861 50 20 CBGD C[C@@H](NC(=O)c1cccc(B(O)O)c1)[C@H](O)C(F)(F)F 863886116 UQEVIPXRKDGUEC-MUWHJKNJSA-N 291.034 -0.592 50 20 CBGD COC(=O)[C@H](CC1CC1)NCc1ccccc1B(O)O 863890215 PLKUQCJJTHQWTH-ZDUSSCGKSA-N 277.129 -0.202 50 20 CBGD COCCOCC(=O)NNC(=O)c1c(C)ccn1C 869906278 KDLBAHOEKKRGKD-UHFFFAOYSA-N 269.301 -0.242 50 20 CBGD C=CCOCCNC(=O)NNC(=O)C1CCOCC1 883561004 WHPSMHXMDKWPAA-UHFFFAOYSA-N 271.317 -0.054 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H]1CCN(C)C(=O)C1 887140807 SPZVVUGCYCREOK-SNVBAGLBSA-N 265.313 -0.194 50 20 CBGD C#CCCCC(=O)NNC(=O)CS(=O)(=O)CCC 887142052 UIDPFKCPPOLROR-UHFFFAOYSA-N 274.342 -0.238 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@H]1C(F)(F)F 912095297 ZPFSPASMVUVQSO-SNVBAGLBSA-N 289.018 -0.273 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNc1nccn(C)c1=O 1116456882 AEZIOUPRUIDBAS-JGVFFNPUSA-N 252.274 -0.352 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cnn3ccncc23)cn1 1116878748 BZVJYNYBERZQOM-UHFFFAOYSA-N 285.267 -0.462 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)c1ncccn1 1119566659 FLRAAMYNCVJZMA-UHFFFAOYSA-N 263.179 -0.017 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccc2c(c1)NC(=O)CO2 1317698873 RDKAPBQLSDLIPX-UHFFFAOYSA-N 276.252 -0.657 50 20 CBGD Cn1cc(C(=O)NNc2ncnc3[nH]cnc23)cn1 1318835317 FZDQUAWYWNLDFH-UHFFFAOYSA-N 258.245 -0.157 50 20 CBGD CS(=O)(=O)CCCNC(=O)NNC(=O)c1ccc[nH]1 1321768213 KBWHWIZMFPPISN-UHFFFAOYSA-N 288.329 -0.607 50 20 CBGD O=C(NNc1cccc(F)n1)c1cnn(C[C@@H](O)CO)c1 1328317197 PXKJCACLNFVUEA-SECBINFHSA-N 295.274 -0.473 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(O)n(C)n1 1328343286 SOLJIKLKYGGBMC-NKWVEPMBSA-N 268.273 -0.688 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cccnc2Cl)N1 1330107890 JVOCJFILDOKIGB-SSDOTTSWSA-N 282.687 -0.225 50 20 CBGD C[C@H](Sc1nncn1C)C(=O)NN(C)C[C@@H](C)O 1332176072 TXCQZVZTJGDYRV-SFYZADRCSA-N 273.362 -0.361 50 20 CBGD O=C(NNc1ncccn1)[C@@H]1CCc2nncn2C1 1347600828 TUBLNWLILHDIGP-MRVPVSSYSA-N 259.273 -0.226 50 20 CBGD CN(NC(=O)COc1ccsn1)C(=O)N1CCNCC1 1578506292 KHLWTAKISRXFGV-UHFFFAOYSA-N 299.356 -0.490 50 20 CBGD CC[C@@H](CNCc1cccc(B(O)O)c1)C(=O)O 1589552059 JSLLCFLIRUCEOS-JTQLQIEISA-N 251.091 -0.433 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C(=O)O)c1ccns1 1593102463 SRFATYBOEHYSOU-SCSAIBSYSA-N 258.259 -0.381 50 20 CBGD O=C(O)[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 1595196941 OINWYFPPNMMREM-JTQLQIEISA-N 277.085 -0.697 50 20 CBGD COc1ccccc1CCNC(=O)NNC(=O)C(=O)O 1599710846 VGQLYYACBOFDJC-UHFFFAOYSA-N 281.268 -0.347 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@H]1C(=O)O)C1CCOCC1 1601555879 LIMGTOFPXXIPLX-JGVFFNPUSA-N 256.258 -0.719 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CCCn1ccc(C(=O)O)n1 1604201756 DSQSTXOHBHBVGR-VIFPVBQESA-N 284.316 -0.295 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)C1(C(=O)O)CCOCC1 1605669670 NOJJSVRTQGPDCW-UHFFFAOYSA-N 298.217 -0.032 50 20 CBGD CCS(=O)(=O)CC(=O)NNC(=O)NCC1CC1 49166267 FNPSLHVBHAIWPX-UHFFFAOYSA-N 263.319 -0.839 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@](C)(O)C1 124301221 PZNOPGUJKZPKSB-JOYOIKCWSA-N 257.334 -0.221 50 20 CBGD CCN(CC(=O)NNc1nccn(C)c1=O)C1CC1 129068984 PKOTUCQKAVGDNS-UHFFFAOYSA-N 265.317 -0.292 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCCN1C(C)=O 273008186 PLXLGSLTXSBUNC-VIFPVBQESA-N 256.306 -0.310 50 20 CBGD CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)C(=O)NC(C)C 298668492 SEQAYAKRRVTSAG-JGVFFNPUSA-N 257.290 -0.917 50 20 CBGD CCOC(=O)/C(C#N)=C/NCCCNS(=O)(=O)CC 299502164 RCOGXFPAXHWIJV-MDZDMXLPSA-N 289.357 -0.124 50 20 CBGD CCN1CCO[C@@H](C(=O)NNc2nccnc2Cl)C1 376699844 KPLGMIHTRPPYSV-MRVPVSSYSA-N 285.735 0.294 50 20 CBGD C[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CC[S@]1=O 584950957 OEMBEVPZGLMUBE-FFVOIRBGSA-N 299.132 -0.902 50 20 CBGD CC[C@@H](C)[C@H](O)CNC(=O)c1ccc(B(O)O)c(F)c1 584961065 XLLKTAPZJAZAAE-PRHODGIISA-N 283.108 -0.358 50 20 CBGD Cc1nc([C@H](C)NC(=O)c2cc(B(O)O)ccc2F)no1 584964970 MFYIETGMOOLIFJ-LURJTMIESA-N 293.063 -0.312 50 20 CBGD CC#CC[C@H](CO)NC(=O)c1cc(B(O)O)ccc1F 585003162 NGXVNVONHGHGHS-SNVBAGLBSA-N 279.076 -0.990 50 20 CBGD O=S1(=O)CCC(CNCc2ccc(B(O)O)cc2)CC1 585031347 DAAZQVSBSBMYOX-UHFFFAOYSA-N 297.185 -0.719 50 20 CBGD CC(C)(C)N1CC[C@@H](NCc2ccc(B(O)O)o2)C1=O 585048273 MLMGIEHMNOLXIH-SNVBAGLBSA-N 280.133 -0.552 50 20 CBGD O=S(=O)(NCB(O)O)c1cnc(-c2ccccc2)nc1 585059172 BPVGOHJEWQUGQO-UHFFFAOYSA-N 293.113 -0.566 50 20 CBGD CC(C)COc1ncccc1C(=O)NCB(O)O 585062246 DROYFJSYYNKVGD-UHFFFAOYSA-N 252.079 -0.142 50 20 CBGD O=C(CNc1ccccc1[N+](=O)[O-])NCB(O)O 585062598 UXEDYXBUGXJKHM-UHFFFAOYSA-N 253.023 -0.865 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)Cn2cccnc2=O)c1 728871371 XHXHZXQTUQFVHJ-UHFFFAOYSA-N 297.274 -0.424 50 20 CBGD CN1CCN(C)[C@H](CNC(=O)NNC(=O)C2CCC2)C1 732254114 TYIVDWUNWAXUSW-LLVKDONJSA-N 283.376 -0.637 50 20 CBGD COCCN1CC[C@@H](NC(=O)NNC(=O)C(C)C)C1 736667097 YJXJHMXKINDQNK-SNVBAGLBSA-N 272.349 -0.307 50 20 CBGD Cc1cc(C(=O)NNC(=O)N2CCOCC2)on1 745992333 ZUISZAFZUDIJKB-UHFFFAOYSA-N 254.246 -0.330 50 20 CBGD CCNC(=O)NNC(=O)CS(=O)(=O)N(CC)CC 746167567 UXHNDJPSUNASRE-UHFFFAOYSA-N 280.350 -0.992 50 20 CBGD CN1CCC[C@@H](NC(=O)NNC(=O)CC(F)(F)F)C1=O 748665181 RLKHPUKEBSUJKE-ZCFIWIBFSA-N 296.249 -0.110 50 20 CBGD COc1cc(C)nc(NNC(=O)c2cc(C(N)=O)c[nH]2)n1 749415718 AVSGTHRPZKGKET-UHFFFAOYSA-N 290.283 -0.022 50 20 CBGD CCOC(=O)[C@@H]1CCC(=NNC(=O)C(N)=O)C[C@H]1C 758093719 NBEQILTXOBVTNO-VXNVDRBHSA-N 269.301 -0.057 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnc2nccnc2c1 760243797 QRFKVZNOJWBRSK-UHFFFAOYSA-N 274.284 -0.653 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)NCC2CC2)nn1 768482109 HWRLIMUVXXWQEO-UHFFFAOYSA-N 266.261 -0.594 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H](C)[C@@H](O)C1 768767832 FTMNJMJGPIIHDV-VWYCJHECSA-N 271.361 -0.119 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCn2ncnc2C1 770685330 HPNZQTSYHOBPOJ-UHFFFAOYSA-N 280.332 -0.713 50 20 CBGD CNS(=O)(=O)c1ccc(C(C)=NNC(=O)CO)cc1 776783003 KBULEMYMUOYXIC-UHFFFAOYSA-N 285.325 -0.573 50 20 CBGD CC(=O)N1C[C@@H](C(=O)NN(C)C(N)=O)Oc2ccccc21 778415741 PDOLFQYMSAVQDG-NSHDSACASA-N 292.295 -0.158 50 20 CBGD COc1ccc(NNC(=O)CCS(C)(=O)=O)nc1 782046140 MZVHSEUMEBYRRC-UHFFFAOYSA-N 273.314 -0.032 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCn1cc([N+](=O)[O-])cn1 787944768 FTOYNNUHRDOFSJ-UHFFFAOYSA-N 285.260 -0.900 50 20 CBGD CCc1nc(C(=O)NNC(=O)N2CCN(C)CC2)co1 807382133 YNENAUQOLFCMMR-UHFFFAOYSA-N 281.316 -0.161 50 20 CBGD CN1CCN(C(=O)NNC(=O)CC[C@@H]2CCCO2)CC1 807383078 JPSZHNNCYVAZBE-NSHDSACASA-N 284.360 -0.066 50 20 CBGD CCCNC(=O)NNS(=O)(=O)c1cn(C)nc1C 808082073 DIKGXYFWOQVKLS-UHFFFAOYSA-N 275.334 -0.369 50 20 CBGD Cn1cc(C(=O)NNC(=O)COCc2ccccc2)nn1 808396160 LZVSKOCMROEQJO-UHFFFAOYSA-N 289.295 -0.207 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@](C)(O)C1CCC1 813462572 YDNVZGBYBZCXHW-AWEZNQCLSA-N 299.371 -0.010 50 20 CBGD CCN(CCO)NC(=O)CCCCc1cnn[nH]1 823874537 UJTJESXSSVKLQA-UHFFFAOYSA-N 255.322 -0.137 50 20 CBGD COc1ccc(C(=O)NNC(=O)N2CCOCC2)o1 847403303 UQEXYNZABSCCLE-UHFFFAOYSA-N 269.257 -0.025 50 20 CBGD CCn1ncnc1C=NNC(=O)N1CCOCC1 848403840 DCADLVOVKJGLSC-UHFFFAOYSA-N 252.278 -0.326 50 20 CBGD CCC1(Cn2cc(C(=O)NNC(C)=O)nn2)COC1 854155609 QXUCEYOWTIVYLI-UHFFFAOYSA-N 267.289 -0.514 50 20 CBGD O=C(NNc1ncc(F)cc1F)[C@]1(O)CCOC1 857533837 OCDGIPUAXSDBSS-JTQLQIEISA-N 259.212 -0.046 50 20 CBGD C#C[C@@H](CC)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858395918 SSUNTMHVWHGVRW-JGVFFNPUSA-N 252.274 -0.993 50 20 CBGD CCCCCCN(C)CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862454954 LQNCCSYWYOPFKV-NSHDSACASA-N 298.387 -0.076 50 20 CBGD CSCCCNC(=S)NNC(=O)[C@@H]1CCC(=O)N1 863204460 ZFHILVLFXQGAQO-ZETCQYMHSA-N 290.414 -0.487 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C1Cc2ccccc2C1 863465078 RSAHSNJNDMRFBE-UHFFFAOYSA-N 296.348 -0.407 50 20 CBGD O=C(CO)NNC(=O)NC1(C(F)(F)F)CCC1 879378720 XUERRPBXFDZZNN-UHFFFAOYSA-N 255.196 -0.206 50 20 CBGD CN1CCC[C@@H]1CNC(=O)NNC(=O)C1CCOCC1 883205185 QTTWHEMMJOKUEL-LLVKDONJSA-N 284.360 -0.162 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H]1CC(=O)N(CC)C1 887140921 YBMBAEXRMRNARI-SNVBAGLBSA-N 265.313 -0.194 50 20 CBGD CCN(CC(=O)NNC(=O)CN1CCCC1=O)C1CC1 913731317 CUKGNSIGGUHOGP-UHFFFAOYSA-N 282.344 -0.760 50 20 CBGD O=C(CN1CCCS1(=O)=O)NNC(=O)C1CCCC1 916049541 KWAXJELUGRCTPB-UHFFFAOYSA-N 289.357 -0.641 50 20 CBGD CC(=O)NNC(=O)c1ccccc1S(C)(=O)=O 916606402 MPQLHKGJMHZPOD-UHFFFAOYSA-N 256.283 -0.129 50 20 CBGD CC1(C(=O)NNC(=O)C(=O)N2CCCC2)CCOCC1 1115963028 NIGIGNGJIUMPQR-UHFFFAOYSA-N 283.328 -0.427 50 20 CBGD Cc1cc(CC(=O)NNC(=O)C(=O)NC(C)C)no1 1116179438 SBCNWWBNSTZYSX-UHFFFAOYSA-N 268.273 -0.802 50 20 CBGD COCCc1ccnc(NC(=O)NNC(=O)CCO)c1 1117357363 RQEUAVUDZJIJNK-UHFFFAOYSA-N 282.300 -0.194 50 20 CBGD Cc1onc(-c2cccnc2)c1C(=O)NNC(=O)CO 1117401916 CEBZFZAJWJFKNM-UHFFFAOYSA-N 276.252 -0.202 50 20 CBGD CC(=O)N[C@@H](C(=O)NNc1cnnn1C)C(C)C 1117762013 JWIJCAJAQVBJKW-SECBINFHSA-N 254.294 -0.581 50 20 CBGD Cc1n[nH]c(C)c1CC(=O)NNC(=O)C(=O)NC(C)C 1255564386 HCRIQUQTDNESJV-UHFFFAOYSA-N 281.316 -0.759 50 20 CBGD O=C(NNc1nc[nH]n1)[C@@H]1CCCCS1(=O)=O 1261245462 CTHZEDISKQQFQY-LURJTMIESA-N 259.291 -0.785 50 20 CBGD COCCOCC(=O)NNC(=O)C12CCCN1CCC2 1261880872 PQZQAWGGOHSQGG-UHFFFAOYSA-N 285.344 -0.575 50 20 CBGD CC(CS(C)(=O)=O)=NNC(=O)c1cnccn1 1318520895 OASFAKZCWLBSBQ-UHFFFAOYSA-N 256.287 -0.373 50 20 CBGD CCc1nnc(NC(=O)NNC(=O)CCO)s1 1320228006 LAJBZNSYRIVLSL-UHFFFAOYSA-N 259.291 -0.364 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(F)cn1 1320870903 NCBVAZGUWOQBEE-UHFFFAOYSA-N 284.247 -0.657 50 20 CBGD O=C(CCO)NNC(=O)Nc1cnc(C2CC2)nc1 1323927178 KIOVCOZKHJRYML-UHFFFAOYSA-N 265.273 -0.111 50 20 CBGD C=CCNC(=S)NNC(=O)C[C@H]1COC(=O)C1 1325108093 NMBUOWXNIHAZCR-SSDOTTSWSA-N 257.315 -0.379 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CCCCS1 1325282543 DNJIZZFSFULTEF-ZETCQYMHSA-N 275.330 -0.225 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCc1ccnn1C 1325977597 ZCNQZWIUJMIWAQ-MWLCHTKSSA-N 295.343 -0.282 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCn1cnccc1=O 1326361919 BEBDATBGZMDWRJ-VHSXEESVSA-N 294.311 -0.794 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccnc(F)c1F 1326795169 UMRMMBXKSFWDHO-UHFFFAOYSA-N 286.238 -0.355 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 1329222291 HAIPKPTZUZWZKY-RCOVLWMOSA-N 279.300 -0.606 50 20 CBGD CCOc1cc(C(=O)NNC(=O)c2c[nH]nc2C)[nH]n1 1331780320 NDAMMJFVDQXMTJ-UHFFFAOYSA-N 278.272 -0.085 50 20 CBGD CCn1ccc(C(=O)NNc2nnc(C)c(O)n2)n1 1332507428 ONFSQYWIDOYASJ-UHFFFAOYSA-N 263.261 -0.141 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCCN1C(N)=O 1339853300 MLNDQHPUUQBMKS-QMMMGPOBSA-N 280.288 -0.978 50 20 CBGD O=C(/C=C\c1nccs1)NNC(=O)CN1CCCC1=O 1350027879 OHSHWYPHFGWJAD-ARJAWSKDSA-N 294.336 -0.074 50 20 CBGD O=C(NNC(=O)c1cc(C(=O)O)n[nH]1)c1ccncc1 1574578557 JIDPXHKNXAQYBY-UHFFFAOYSA-N 275.224 -0.422 50 20 CBGD C[C@@]1(C(=O)NNC(=O)Cc2ccccc2O)C[C@@H](O)CN1 1576350442 OOYHVNNFMHFQGW-YGRLFVJLSA-N 293.323 -0.805 50 20 CBGD CN(C)CCN(CC(=O)O)S(=O)(=O)CCCCl 1593698552 CGGATHGAOZZHKX-UHFFFAOYSA-N 286.781 -0.107 50 20 CBGD O=C(O)CCC(=O)NNC(=O)Cc1ccccn1 1594996695 JSIISDPEBWPCID-UHFFFAOYSA-N 251.242 -0.364 50 20 CBGD O=C(NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1)c1ncon1 1601553626 OLMSQCYVXARBGA-RQJHMYQMSA-N 282.256 -0.278 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CCC1)[C@H]1CCCO1 1605814508 DICGQZHRICKJMY-SSDOTTSWSA-N 256.258 -0.432 50 20 CBGD CC(C)C(=O)NNC(=O)CN(CCC(=O)O)C(C)C 1609682707 GFNUUGMGXKZEEI-UHFFFAOYSA-N 273.333 -0.025 50 20 CBGD COC[C@H](C)NC(=S)NNC(=O)c1cnn(C)c1 20907467 TUWJJZOKUVJVGO-ZETCQYMHSA-N 271.346 -0.436 50 20 CBGD COc1cccc(OCC(=O)NNC(=O)CN(C)C)c1 265110082 ZKXVRZKDUNTGAR-UHFFFAOYSA-N 281.312 -0.217 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H](O)c1cccnc1 272677321 MKJMOMLUZUZENS-SECBINFHSA-N 252.274 -0.193 50 20 CBGD COc1ccc(NNC(=O)[C@H]2COCCO2)nc1 275695801 YBLIKMUTSVZYAM-SECBINFHSA-N 253.258 -0.051 50 20 CBGD COC(=O)N(C)NC(=O)Cn1c(C)cc(O)cc1=O 286201883 DMXOQPHYODJTDE-UHFFFAOYSA-N 269.257 -0.408 50 20 CBGD C#CCO[C@H](C)C(=O)NNC(=O)[C@@H]1CCCCO1 295646798 UMQXXKAGFVRHCF-ZJUUUORDSA-N 254.286 -0.259 50 20 CBGD CCOC(=O)COCCNC(=O)NNC(=O)CC(C)C 296607687 AFYPOZBWADAMPN-UHFFFAOYSA-N 289.332 -0.057 50 20 CBGD CC(=O)NNC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 298204160 XBIMGBOCPSUPMB-HGNGGELXSA-N 281.312 -0.283 50 20 CBGD NNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 361764481 UYUPAQOIQHVKNO-VHSXEESVSA-N 283.328 -0.042 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cnc2n1CCCC2 368939157 AXXAWRXRYOTAHX-UHFFFAOYSA-N 266.301 -0.249 50 20 CBGD COC(=O)NCCC(=O)NNC(=O)CNc1ccccc1 491274841 XSSICLWVSJFRDG-UHFFFAOYSA-N 294.311 -0.008 50 20 CBGD COc1ccc(/C=C/C(=O)NNC(=O)CO)cc1OC 492424882 KRIUCTZFPDRWLP-GQCTYLIASA-N 280.280 -0.143 50 20 CBGD N#C[C@]1(NC(=O)c2ccc(B(O)O)c(F)c2)CCSC1 584937064 QIJWSZPHZPPLSM-GFCCVEGCSA-N 294.116 -0.365 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCN2CCC[C@@H]2C1 584941150 GFZPKOUAVIYTLB-LLVKDONJSA-N 292.119 -0.574 50 20 CBGD CC(C)[C@H](O)CNC(=O)c1cccc(B(O)O)c1 584959307 FZNAQWOOJSVRAU-LLVKDONJSA-N 251.091 -0.887 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC(CO)CC1 584963582 AMNBOVBLZIMXJH-UHFFFAOYSA-N 263.102 -0.789 50 20 CBGD CN(CCN(C)C1CC1)C(=O)c1cccc(B(O)O)c1 584978543 VLUZUFKNFWIORM-UHFFFAOYSA-N 276.145 -0.467 50 20 CBGD CC[C@H]1COC[C@H]1NC(=O)c1cccc(B(O)O)c1 585008501 WCKIKGZAEUKYBJ-JOYOIKCWSA-N 263.102 -0.479 50 20 CBGD CC1(C)OC[C@H]2C[C@]21NC(=O)c1ccc(B(O)O)c(F)c1 585010857 YSXINJJDKITORT-OTYXRUKQSA-N 293.103 -0.197 50 20 CBGD CN(C)CCC(=O)NNC(=S)NC1CCOCC1 727780431 KHRKYMWAQCEKGJ-UHFFFAOYSA-N 274.390 -0.388 50 20 CBGD Cc1ccc(NNC(=O)NCCS(C)(=O)=O)nn1 730022838 ADLDHJLEFDHEBB-UHFFFAOYSA-N 273.318 -0.544 50 20 CBGD Cn1cc(C(=O)NNC(=O)C2(C(=O)NC3CC3)CC2)cn1 735471126 PVHYETIYXPLSNJ-UHFFFAOYSA-N 291.311 -0.760 50 20 CBGD O=C(O)NCCCC(=O)NNC(=O)Cc1cccnc1 739956575 GABZYFIDAXEBRH-UHFFFAOYSA-N 280.284 -0.181 50 20 CBGD O=C(NCCc1ccco1)NNC(=O)C(=O)N1CCCC1 748446453 JJPBPTIUFMGHOK-UHFFFAOYSA-N 294.311 -0.225 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H](C)C1CC1 758043651 JBHKXFVJLPPYJM-YUMQZZPRSA-N 291.373 -0.492 50 20 CBGD CC(=O)NNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 765393685 MFVOIPQTDRESJE-VIFPVBQESA-N 287.316 -0.210 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@@]1(O)CCSC1 765687188 WATXUHSEUWXTGH-SNVBAGLBSA-N 259.331 -0.405 50 20 CBGD CC(CCCCO)=NNC(=O)[C@@H](C)NS(C)(=O)=O 766704567 MMVHQFXJVBSQJA-SECBINFHSA-N 279.362 -0.421 50 20 CBGD Cc1onc(CC(=O)NNC(=O)C(C)(C)O)c1C#N 768256556 STHZQAPJXALJFJ-UHFFFAOYSA-N 266.257 -0.685 50 20 CBGD CC(C)(C)C(=O)NN=Cc1cn(CC(=O)O)nn1 768481475 ARIOKXMHECEAQW-UHFFFAOYSA-N 253.262 -0.141 50 20 CBGD COC(=O)c1cc(F)cc(S(=O)(=O)NNC(C)=O)c1 775249185 HDHCFVZPMRQDJQ-UHFFFAOYSA-N 290.272 -0.058 50 20 CBGD CC(C)(O)CCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 776258550 FREOQFQNUKLPNI-LLVKDONJSA-N 293.389 -0.472 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)CC[C@H]1O 778252406 GWGVUWGGUCUVEC-PSASIEDQSA-N 255.318 -0.754 50 20 CBGD C[C@@H](NC(=O)CN1CC=C(C#N)CC1)C(=O)N(C)C 779587416 NBRCLTACLRBQQD-SNVBAGLBSA-N 264.329 -0.265 50 20 CBGD CC(C)C(=O)NNC(=O)CC(=O)NCC(F)(F)F 779646341 OFERBARHBCZSCP-UHFFFAOYSA-N 269.223 -0.142 50 20 CBGD CC(C)CC(=O)NNC(=O)c1cccc(C(N)=O)n1 781576691 RYKVGPAIXLFTIX-UHFFFAOYSA-N 264.285 -0.012 50 20 CBGD N#Cc1ccc(C[C@@H](C#N)C(=O)NNC(=O)CO)cc1 792657558 HCCVTBQGZNGZPJ-NSHDSACASA-N 272.264 -0.620 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1COCCN1C1CCCC1 793175084 GCECNQKPSJUACT-JTQLQIEISA-N 270.333 -0.410 50 20 CBGD C[C@@](O)(Cn1ccccc1=O)C(=O)NNC(=O)CC1CC1 819136407 VHKKWDKCOVBGKH-CQSZACIVSA-N 293.323 -0.453 50 20 CBGD CCN(CCO)NC(=O)C1=C(C)OCCS1(=O)=O 823865071 HWFAEBOJUMTCSM-UHFFFAOYSA-N 278.330 -0.992 50 20 CBGD CN(NC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C(N)=O 826004388 VVELFWWYRAOMLA-UHFFFAOYSA-N 297.225 -0.200 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H]1CCCNC1=O 826962821 GWFIKXDUTNWJIS-AEJSXWLSSA-N 298.343 -0.732 50 20 CBGD CO[C@@H]1COC[C@H]1NS(=O)(=O)CBr 828059907 ZYTSERUHQCLXSW-PHDIDXHHSA-N 274.136 -0.328 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](C)CC(N)=O 843973676 ZDBBRTSJITVERG-CSMHCCOUSA-N 257.290 -0.930 50 20 CBGD Cc1onc(N)c1S(=O)(=O)NNC(=O)C(C)(C)C 844646640 MHLRULLIBYAKRA-UHFFFAOYSA-N 276.318 -0.079 50 20 CBGD CCn1ccc(CC(=O)NNC(=O)C(=O)N2CCCC2)n1 845353926 LWQKAEZBWAVDOE-UHFFFAOYSA-N 293.327 -0.785 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc2cccnn12 846276848 XTXUPYFBXSVMCV-IUCAKERBSA-N 289.295 -0.085 50 20 CBGD O=S(=O)(CCl)NCCCN1CCC(O)CC1 849376439 CMYSHFQYQJHRDA-UHFFFAOYSA-N 270.782 -0.051 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)[nH]1 857275206 ULPYVAYFZWTAMY-SECBINFHSA-N 280.284 -0.556 50 20 CBGD CCCCNC(=O)NNC(=O)CN1CC(=O)N(C)C1=O 858777279 KJRICKDGIMVODP-UHFFFAOYSA-N 285.304 -0.989 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cc[nH]n1)[C@@H]1CCC(=O)N1 862168460 ZOMDJAUYYYAESO-RQJHMYQMSA-N 265.273 -0.915 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CC23CCCC3)N1 862454754 AELIHAVQBMKKMU-BDAKNGLRSA-N 265.313 -0.007 50 20 CBGD CCc1[nH]ccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862460813 GYNRSKUTSXMAJB-SECBINFHSA-N 264.285 -0.383 50 20 CBGD COCC1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCC1 862461692 MHIUHPDRMLGELA-QMMMGPOBSA-N 269.301 -0.771 50 20 CBGD O=C1CCCCC[C@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 862462920 UJVWJEHMWJWPBP-ONGXEEELSA-N 295.339 -0.048 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cn[nH]c1)N1CCSCC1 862472945 XWQCQGBVZKBJAH-QMMMGPOBSA-N 283.357 -0.392 50 20 CBGD Cc1csc(C(=O)NNC(=O)Cn2ncn(C)c2=O)c1 862478539 JEFFMZJJWQJOSR-UHFFFAOYSA-N 295.324 -0.587 50 20 CBGD C[C@@]1(C(=O)O)CCCN1CC(=O)NNC(=O)C1CC1 863531903 BJZBTRQSLYIKDC-LBPRGKRZSA-N 269.301 -0.517 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CC(C(F)F)C1 863876139 OUZFQZLGXADJPY-UHFFFAOYSA-N 273.019 -0.157 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@H]1CCCC[C@@H]1O 869905397 CCTQJEXLUOSVPU-MNOVXSKESA-N 288.344 -0.262 50 20 CBGD COC1CC(C(=O)NNC(=O)C2CCOCC2)C1 883072234 DZFLZLPYRKQQQC-UHFFFAOYSA-N 256.302 -0.015 50 20 CBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)C2CCC2)C(=O)O1 896346285 WBOOGQCFSNUHMT-POYBYMJQSA-N 255.274 -0.179 50 20 CBGD COc1cc(C(C)=NNC(=O)C(N)=O)ccc1O 916273944 FDWOYQLHKIXQFC-UHFFFAOYSA-N 251.242 -0.274 50 20 CBGD CCC/C=C\C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 920745710 OJGPAPXEJNHFKI-WBSSQXGSSA-N 289.357 -0.140 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H](C2OCCO2)C1 927989244 CYMYMGSUHSIBEB-NSHDSACASA-N 291.112 -0.799 50 20 CBGD Nc1cnnc(NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1Cl 1294564652 TUQXNPJZCFNXQQ-NQXXGFSBSA-N 272.652 -0.180 50 20 CBGD COc1ccc(C(=O)NNC(=O)NC(C)C)nn1 1318693198 UQRALYVUBJVQGR-UHFFFAOYSA-N 253.262 -0.162 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)Cc1cccnc1 1320030549 SMIVOIBKHHHTCK-JTQLQIEISA-N 276.296 -0.608 50 20 CBGD CCOC1CC(CCNC(=O)NNC(=O)C(=O)OC)C1 1320801742 YKBXEGHKTJQJPE-UHFFFAOYSA-N 287.316 -0.305 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)[C@](C)(O)C3CC3)nc21 1322423080 CKIVRHDMQMDITJ-GFCCVEGCSA-N 292.299 -0.327 50 20 CBGD CC(=O)Nc1nc(C(=O)NNc2nc[nH]n2)cs1 1324336093 VTYJBOUCVHKVRW-UHFFFAOYSA-N 267.274 -0.024 50 20 CBGD Cc1ccc(C(=O)C(=O)NNC(=O)CS(C)(=O)=O)cc1 1329208663 SSHUKPGPNPZNNR-UHFFFAOYSA-N 298.320 -0.630 50 20 CBGD O=C(c1cncc(N2CCCC2)n1)N1CC[C@@H](B(O)O)C1 1329657140 OSHAPQDGOGDFMY-SNVBAGLBSA-N 290.132 -0.234 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ocnc2C2CC2)N1 1331802985 JXRCHBHREIZTEN-ZETCQYMHSA-N 278.268 -0.408 50 20 CBGD O=C1CCC(NC(=O)c2cccc(B(O)O)c2)CC1 1335121499 OVLYFEPDRBWWRO-UHFFFAOYSA-N 261.086 -0.392 50 20 CBGD CCn1ncnc1C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1 1549317709 YPXRDXLCWZFRRW-QWRGUYRKSA-N 292.343 -0.389 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CO[C@H](CCC(=O)O)C1 1588795851 MUNYQQQHWZGOOM-HTQZYQBOSA-N 288.300 -0.825 50 20 CBGD O=C(O)COCC(=O)NNC(=O)CCc1ccccc1O 1595107141 KJIDPSVXRBFETA-UHFFFAOYSA-N 296.279 -0.427 50 20 CBGD COCC[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)O 1599212837 IXWQGWVDSRUIAY-VQNWOSHQSA-N 292.295 -0.067 50 20 CBGD Cc1c([C@H](C)NC(=O)NNC(=O)C(=O)O)cnn1C 1600008628 LEJRANWCMUHWSB-YFKPBYRVSA-N 269.261 -0.795 50 20 CBGD N#CC1=CCN(C(=O)CN2CCC[C@H](C(=O)O)C2=O)CC1 1601058261 KOALJJXYGJJMRQ-NSHDSACASA-N 291.307 -0.008 50 20 CBGD O=C(O)CSCCC(=O)NNC(=O)[C@H]1CCCO1 1608766863 MCKYHFCKALUWJK-SSDOTTSWSA-N 276.314 -0.479 50 20 CBGD CN(C)S(=O)(=O)/C(C#N)=C/c1c(C(=O)O)cnn1C 1777033734 GEPMBGYCCHFWMI-QPJJXVBHSA-N 284.297 -0.126 50 20 CBGD O=C1CC[C@@H]2CN(S(=O)(=O)CBr)CCN12 127582822 OEAPTOGMPJZWSC-SSDOTTSWSA-N 297.174 -0.025 50 20 CBGD CC[C@H](C(=O)NNC(=O)c1cnn(C)c1)N1CCCC1=O 173688488 ZHGGUVZZBXLYOP-SNVBAGLBSA-N 293.327 -0.418 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cccc(-n2cccn2)n1 190048895 NDXQVOUIGJOYIU-UHFFFAOYSA-N 289.295 -0.201 50 20 CBGD OB(O)c1ccc(OCCOC[C@@H]2CCCO2)cc1 203177762 BRAFUTVLSZDBBU-ZDUSSCGKSA-N 266.102 -0.059 50 20 CBGD CCOC(=O)c1cnc(NNC(=O)[C@@H](C)O)nc1C 272134745 CJIQMICKOSNCHO-SSDOTTSWSA-N 268.273 -0.214 50 20 CBGD COC[C@@H](CNC(=O)NNc1nccc(OC)n1)OC 272908989 JHVYZHRHPBQABA-MRVPVSSYSA-N 285.304 -0.227 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)Cn2ccccc2=O)O1 293080692 OCHWKJVGTJBJQM-UWVGGRQHSA-N 279.296 -0.437 50 20 CBGD CCN1CCO[C@@H](C(=O)NNc2ncnc3[nH]cnc23)C1 376657322 HFWMRTRNGVHZEY-MRVPVSSYSA-N 291.315 -0.483 50 20 CBGD COC(=O)N[C@H](C(=O)NNc1nccn(C)c1=O)C(C)C 492846398 MYGVRUKKEAIGKL-QMMMGPOBSA-N 297.315 -0.396 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1CCC[C@H](O)C1 584912489 GHAYINSDBKCARK-CABZTGNLSA-N 263.102 -0.144 50 20 CBGD COCCN(CCOC)C(=O)c1cccc(B(O)O)c1 584922919 BDYDFAWWCQJONE-UHFFFAOYSA-N 281.117 -0.899 50 20 CBGD C[C@H](CCCO)NC(=O)c1cccc(B(O)O)c1 584957667 HQHGMCHJRKHYNE-SECBINFHSA-N 251.091 -0.743 50 20 CBGD O=C(N[C@H]1CCCOCC1)c1cccc(B(O)O)c1 584970999 IUHNOMYUTDLRRS-LBPRGKRZSA-N 263.102 -0.335 50 20 CBGD CC1(C)[C@@H](NC(=O)c2cc(B(O)O)ccc2F)C[C@H]1O 584973036 CONRQEQBOWDDNR-WDEREUQCSA-N 281.092 -0.605 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC(F)(F)[C@@H](CO)C1 584990779 KEXMSYHOHNXYHO-SNVBAGLBSA-N 299.082 -0.544 50 20 CBGD CC[C@H](O)[C@H](CC)NC(=O)c1ccc(B(O)O)cc1 584997205 YHGVUNADKKIZMY-RYUDHWBXSA-N 265.118 -0.354 50 20 CBGD C[C@H](O)[C@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F 585007810 OGWCPMKXNKKSKJ-QPUJVOFHSA-N 281.092 -0.509 50 20 CBGD CCNC(=O)[C@@H](NCc1ccc(B(O)O)cc1F)C(C)C 585042527 DOPJTHIWBNIWLH-ZDUSSCGKSA-N 296.151 -0.244 50 20 CBGD Cc1cc(C)n(-c2ccc(C(=O)NCB(O)O)cn2)n1 585060111 ADYVDNWTANMWJK-UHFFFAOYSA-N 274.089 -0.374 50 20 CBGD O=C([C@H]1COCCN1C1CCCC1)N1CC[C@H](B(O)O)C1 585063916 KHMKYBWNGNRFCB-WCQYABFASA-N 296.176 -0.295 50 20 CBGD Cn1cc(C(=O)NNC(=O)C2CCC2)c(O)nc1=O 732140991 DCOAJCDALGYLBT-UHFFFAOYSA-N 266.257 -0.953 50 20 CBGD CCOCCO[C@@H](C)C(=O)NNC(=O)CN(C)C 733359269 BOODWGOLCSHUED-VIFPVBQESA-N 261.322 -0.863 50 20 CBGD Cc1c(C(=O)NNC(=O)CO)nnn1-c1ccccc1 753438691 QQBNRHRQRILCLR-UHFFFAOYSA-N 275.268 -0.671 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 753451342 DLWMSSFWFIDXJK-SECBINFHSA-N 283.328 -0.693 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H]1CCCN1C 770248340 VJJSNDUZICPHOW-QMMMGPOBSA-N 276.431 -0.061 50 20 CBGD CCCCCS(=O)(=O)CC(=O)NN(C)C(N)=O 770532219 GITXPPYOAIWVHB-UHFFFAOYSA-N 265.335 -0.367 50 20 CBGD COC[C@H](O)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C 772229927 FCSBNTZQLDTBAP-BDAKNGLRSA-N 290.316 -0.881 50 20 CBGD C[C@@H](O)C(=O)NNc1cccc(S(C)(=O)=O)c1 776714479 GMXQYNFRHFAHDT-SSDOTTSWSA-N 258.299 -0.086 50 20 CBGD CN(C)c1cnc(C(=O)NNC(=O)c2cnn(C)c2)cn1 779665929 KMWKUZJWQQKRHW-UHFFFAOYSA-N 289.299 -0.649 50 20 CBGD CC[C@@H]1CC[C@@H](C(=O)NNC(=O)N2CCN(C)CC2)O1 788165640 FFDGILKRBXOIEV-MNOVXSKESA-N 284.360 -0.068 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCc1cncnc1 796182279 GBBFIPPQZFZKOU-SECBINFHSA-N 294.311 -0.102 50 20 CBGD O=C(CN1CCCC1=O)NN=C1CC(=O)N2CCCC[C@@H]12 799473466 GCTZDDPYTJEPGC-NSHDSACASA-N 292.339 -0.134 50 20 CBGD CCN(CC)S(=O)(=O)CC(=O)NN(C)CCOC 819745160 SBEVHPDPIWRLDW-UHFFFAOYSA-N 281.378 -0.733 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CC[C@]1(C)CCC(=O)N1 823939230 HGGUWTWYSLNYDO-CABZTGNLSA-N 257.334 -0.221 50 20 CBGD COc1ccc(NC(=O)C(=O)NN(C)[C@H](C)CO)cc1 823959911 SCOBCOAJCZYGGI-SECBINFHSA-N 281.312 -0.023 50 20 CBGD COC[C@](C)(CC(=O)O)NCC(=O)NNC(=O)C1CC1 831572867 IRXUKXLORPWDJS-LBPRGKRZSA-N 287.316 -0.987 50 20 CBGD CCC[C@@H](C(=O)NN=c1cc[nH]cc1)S(N)(=O)=O 831867674 FFNMUEFGJGPTGW-VIFPVBQESA-N 272.330 -0.596 50 20 CBGD COCCN(C)NC(=O)CN1CCCCCC1=O 837620495 AOJMKKWYDXUMCZ-UHFFFAOYSA-N 257.334 -0.002 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1n[nH]cc1[N+](=O)[O-] 843977041 FGIOCBZCRYXORP-NTSWFWBYSA-N 283.244 -0.496 50 20 CBGD Cc1noc([C@@H](C)N(C)CC(=O)NNC(=O)C2CC2)n1 847060287 YPTFCPBEMZGLOY-SSDOTTSWSA-N 281.316 -0.072 50 20 CBGD COCCN(C)NC(=O)[C@H](C)CS(C)(=O)=O 848377889 WIMDNSLEBPKLCU-MRVPVSSYSA-N 252.336 -0.724 50 20 CBGD CC(C)C(=O)NNC(=O)[C@@H](C)n1cnc2c(N)ncnc21 854213896 NTOQVEBBKWPVPY-SSDOTTSWSA-N 291.315 -0.227 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@H]1COCCO1 854279966 MAEATAAXPIYTCE-SECBINFHSA-N 291.373 -0.724 50 20 CBGD CN(C)C[C@H](CO)NC(=O)/C(C#N)=C\c1cnn(C)c1 854466177 XWKNAIODBXCHQI-CSXHZRMWSA-N 277.328 -0.634 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccn2nnnc2c1 855005986 KZOLYMDZJMVPJS-IONNQARKSA-N 290.283 -0.690 50 20 CBGD CCN1CCO[C@@H](C(=O)NNC(=O)c2cccc(F)n2)C1 856425093 YSGSNNXCFKVGOP-SNVBAGLBSA-N 296.302 -0.298 50 20 CBGD CCO[C@H](C(=O)NNC(=O)C(=O)NC(C)C)C1CC1 858167408 BCXNHSZJPHIRCX-VIFPVBQESA-N 271.317 -0.527 50 20 CBGD C[C@@H]([C@H](C)C(=O)NNC(=O)c1cn[nH]c1)S(C)(=O)=O 862470760 VWKZHBKUEHJWFO-BQBZGAKWSA-N 288.329 -0.760 50 20 CBGD C[C@@H]1CC(=NNC(=O)CS(C)(=O)=O)c2nccn21 863185997 KKZCEMAOCQKKMN-SSDOTTSWSA-N 270.314 -0.287 50 20 CBGD CN(C(=O)c1ccc(B(O)O)cc1)[C@H]1CC(C)(C)OC1=O 863882113 IKSVEROPNZJVTB-NSHDSACASA-N 291.112 -0.468 50 20 CBGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 864980382 HSABSOAKDHRHQU-MRVPVSSYSA-N 265.074 -0.952 50 20 CBGD COCCOCC(=O)NNC(=O)c1cccc(CO)c1 869905336 AOKNKMNKLHTZHQ-UHFFFAOYSA-N 282.296 -0.397 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1csc(C)c1 873804451 FJIKIRAVZMNSLL-UHFFFAOYSA-N 271.298 -0.211 50 20 CBGD CCOC(=O)[C@@H](CO)NS(=O)(=O)CCCCl 882041133 IYMMDFQJHUAWBS-SSDOTTSWSA-N 273.738 -0.541 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C(C)(C)N1CCCCC1 905361298 GSNYCWASXPNZEJ-UHFFFAOYSA-N 298.387 -0.077 50 20 CBGD C[C@H](NC(=O)c1ccco1)C(=O)NN(C)C[C@@H](C)O 910140482 HUMYNKAXOGSJBD-BDAKNGLRSA-N 269.301 -0.258 50 20 CBGD C[C@H](C(=O)NNC(=O)C1CCCC1)S(C)(=O)=O 915857079 JEPLNRPCBYQJKR-SSDOTTSWSA-N 262.331 -0.243 50 20 CBGD O=C(NNc1ccccn1)N[C@H]1CCS(=O)(=O)C1 915880398 LJRSXWVXXNXKQY-QMMMGPOBSA-N 270.314 -0.105 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)CC(F)(F)F 918365534 CGQDEJMFQJZCLB-UHFFFAOYSA-N 267.207 -0.291 50 20 CBGD CNC(=O)NN=C(C)c1cccc(S(N)(=O)=O)c1 920378194 XOTWTDWPFBORPE-UHFFFAOYSA-N 270.314 -0.013 50 20 CBGD CN1C[C@@H](C(=O)NNC(=O)NCC2CC2)CC1=O 920858984 IQQAJWSIXSANMS-QMMMGPOBSA-N 254.290 -0.795 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cn(C)nc1C1CC1 1117664672 DOTICSLHODXYQL-UHFFFAOYSA-N 293.327 -0.417 50 20 CBGD CN(CCC(F)(F)F)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1118810557 KBGSODPFQBFQKV-LURJTMIESA-N 296.249 -0.110 50 20 CBGD Cn1cc(-c2n[nH]cc2C(=O)NNC(=O)NC2CC2)cn1 1255351860 MXFBRUYGXMTBNS-UHFFFAOYSA-N 289.299 -0.083 50 20 CBGD COC(=O)NNC(=O)c1cnc2sccn2c1=O 1317716507 WNZGZJVZQSEWRJ-UHFFFAOYSA-N 268.254 -0.243 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@H](C)c1nc(C)no1 1320099570 HGISUBXKYLBREM-RNFRBKRXSA-N 269.305 -0.025 50 20 CBGD CCc1cc(NC(=O)C(=O)NNC(=O)C(C)C)n(C)n1 1320235226 RXDNYXRYCPPJGD-UHFFFAOYSA-N 281.316 -0.276 50 20 CBGD CC(=O)CCCC(=O)NNC(=O)C(=O)NC1CC1 1321782199 KPEBMWDYNINBBP-UHFFFAOYSA-N 255.274 -0.828 50 20 CBGD NS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CCOC1 1322274100 RSVIYFILYJVCRW-MRVPVSSYSA-N 285.325 -0.186 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1c[nH]c(C(N)=O)c1 1332483377 FLLDGYRALSCQEI-HTRCEHHLSA-N 280.284 -0.700 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 1335667158 VNJZVYJCJYHMHN-HLTSFMKQSA-N 297.311 -0.553 50 20 CBGD CCCNC(=O)[C@H](C)NC(=O)c1cccc(B(O)O)c1 1336718746 NBSUSIFWCIIBMX-VIFPVBQESA-N 278.117 -0.989 50 20 CBGD CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)C(=O)NC(C)C 1338588974 KAJWXFBVGWJTPB-DTWKUNHWSA-N 271.317 -0.527 50 20 CBGD Cn1cc(C(=O)NNC(=O)NNC(=O)C2CCCC2)cn1 1343622744 XAWKIURDCMZZRM-UHFFFAOYSA-N 294.315 -0.415 50 20 CBGD O=C(NCC(=O)N1CCCC1)NNC(=O)C1CCOCC1 1349787095 LRVVIQPJEFQNHD-UHFFFAOYSA-N 298.343 -0.634 50 20 CBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=S)Nc1ccccn1 1574104238 IFAPHIIVDMTAIX-LLVKDONJSA-N 298.324 -0.111 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1C[C@@H](C(=O)O)C1 1588845586 YOZGAVQFOVITRH-KNVOCYPGSA-N 257.315 -0.222 50 20 CBGD O=C(NC[C@H](C(=O)O)C1CCC1)NNC(=O)c1cn[nH]c1 1594737610 UUZHLWYAHJRNQF-VIFPVBQESA-N 295.299 -0.145 50 20 CBGD CS(=O)(=O)CC(=O)NN=C1C[C@H]2C[C@@H](C(=O)O)[C@H]1C2 1599747339 QPLCSHHNNLWHOQ-BWZBUEFSSA-N 288.325 -0.366 50 20 CBGD Cc1c(-c2nn[nH]n2)c(=O)n(C/C=C\C#N)c(=O)n1C 1605463508 ZEVZTXSVAIMANI-ARJAWSKDSA-N 273.256 -0.885 50 20 CBGD Cn1ccc(NNC(=O)c2cccc(-c3nn[nH]n3)n2)n1 1606253818 ISFSWIYUBFYKJO-UHFFFAOYSA-N 285.271 -0.248 50 20 CBGD O=C(O)Cn1cccc1C=NNC(=O)Cc1cc[nH]n1 1606353786 IKLKBTDSMRQSRB-UHFFFAOYSA-N 275.268 -0.011 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 1608478063 SFSWKQUALJEYDQ-IMFYSGRJSA-N 253.258 -0.554 50 20 CBGD CC(=O)NNC(=O)c1ccc(S(C)(=O)=O)cc1 23198917 MILQNBRXFFXFET-UHFFFAOYSA-N 256.283 -0.129 50 20 CBGD NC(=O)[C@@H]1CCCN(S(=O)(=O)CBr)C1 127106693 SOCVCMQPCGSZKX-ZCFIWIBFSA-N 285.163 -0.134 50 20 CBGD CN(C)CC(=O)NNC(=O)Cc1ccc(O)cc1 133596579 IXJZLKPEINSFHK-UHFFFAOYSA-N 251.286 -0.356 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1COc2ccccc21 175943842 JMLVACCADUYBOE-SNVBAGLBSA-N 263.297 -0.128 50 20 CBGD CCN(C)C(=O)[C@@H](C)NC(=O)NNc1ncccn1 187937297 NMTWQXXNEWPJLG-MRVPVSSYSA-N 266.305 -0.031 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cccc(COC)c1 263839748 IEYDVRZDZPHITI-UHFFFAOYSA-N 273.314 -0.045 50 20 CBGD Cc1cc(CC(=O)NNC(=O)N2CCOCC2)no1 266889695 WCAMSRLNNYYUEA-UHFFFAOYSA-N 268.273 -0.401 50 20 CBGD CC[C@H]1CC[C@H](C(=O)NNc2ccc(C(N)=O)nn2)O1 268101694 BFYQDHXAWGBDQG-IONNQARKSA-N 279.300 -0.024 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)O)cc1C 281306835 RTQWVZAUWROYME-SECBINFHSA-N 279.296 -0.230 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2NC(=O)O[C@@H]2C)n1 496633200 PGASETZQNYIUIF-IYSWYEEDSA-N 267.245 -0.575 50 20 CBGD O=C(CC1(O)CCC(O)CC1)Nc1cccc(B(O)O)c1 584914276 ULJXURGQLUULLF-UHFFFAOYSA-N 293.128 -0.639 50 20 CBGD CC[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CCO1 584926763 ATYVEGZWYBTRSO-SNVBAGLBSA-N 281.092 -0.244 50 20 CBGD Cc1c([C@@H](C)NC(=O)c2cccc(B(O)O)c2)cnn1C 584930941 HATHBSJVSSMFQH-SECBINFHSA-N 287.128 -0.101 50 20 CBGD N#C[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)CC1(F)F 584994081 XEAURRKGEMSOTF-SNVBAGLBSA-N 294.066 -0.013 50 20 CBGD C[C@@H]1NC(=O)CC[C@@H]1NCc1ccc(B(O)O)cc1F 585042422 PYDKQBQNSCFWOT-UFBFGSQYSA-N 280.108 -0.738 50 20 CBGD OB(O)c1ccc(CNCC[C@]2(O)CCOC2)c(F)c1 585045199 CVYAWMVHDRERNP-ZDUSSCGKSA-N 283.108 -0.863 50 20 CBGD CC(C)[C@@H](O)Cc1nc(-c2cccc(B(O)O)c2)no1 585052592 RMQPCXQTEVXMSI-NSHDSACASA-N 276.101 -0.024 50 20 CBGD COc1cc(C)cc(C)c1S(=O)(=O)NCB(O)O 585059304 IQMHTMCBVCVBGV-UHFFFAOYSA-N 273.119 -0.398 50 20 CBGD C[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@H](B(O)O)C1 585069946 UDTFSNRJQCFEBR-KOLCDFICSA-N 282.149 -0.243 50 20 CBGD C[C@@H]1CN(C(=O)CCl)C[C@H]1CS(N)(=O)=O 725452798 AQJJQOHYJVWPRJ-RQJHMYQMSA-N 254.739 -0.392 50 20 CBGD O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NNC(=O)C1CCC1 732245711 FKWOVDCYBPYDKD-VXGBXAGGSA-N 296.371 -0.020 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 745857751 KYPHDZQSRNYXOY-NXEZZACHSA-N 272.349 -0.164 50 20 CBGD CC(C)C(=O)NNC(=O)NC[C@H](C)CN1CCN(C)CC1 745861253 AUGQKVLMVQOSPK-LBPRGKRZSA-N 299.419 -0.144 50 20 CBGD CCc1n[nH]cc1C(=O)NNC(=O)N1CCOCC1 745986424 TUMIRUMQUMBIFR-UHFFFAOYSA-N 267.289 -0.341 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCC(O)CC1 761806735 HMCWVTWGSJPRSF-JAVCKPHESA-N 277.346 -0.669 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cnc3[nH]cnc3c2)cn1 764294135 IVMQEFLDXHRQNH-UHFFFAOYSA-N 285.267 -0.234 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(F)c1 764325895 WWPWIXZGHPKOKN-UHFFFAOYSA-N 283.259 -0.052 50 20 CBGD CC(C)(O)C(=O)NNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 768256715 XEUWTBPKQUTRLJ-UHFFFAOYSA-N 299.287 -0.555 50 20 CBGD C[C@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)[C@@H](C(N)=O)C1 778294277 RNNDJAJFMUQFRP-VHSXEESVSA-N 298.387 -0.234 50 20 CBGD CC(C)C(=O)NNC(=O)[C@@H](NC(=O)C1CC1)[C@H](C)O 779473666 WTHQGEBDRIVNHF-CBAPKCEASA-N 271.317 -0.935 50 20 CBGD CC(C)C(=O)NNC(=O)NCCNC(=O)c1cc[nH]n1 780051615 UGAPEBQCKTVXDC-UHFFFAOYSA-N 282.304 -0.874 50 20 CBGD CCNC(=O)N(C)NC(=O)CCN1CCCS1(=O)=O 780709097 NMYXOFXVVPATSN-UHFFFAOYSA-N 292.361 -0.896 50 20 CBGD CC(C)(O)C(=O)NN=Cc1ccc(OCC(N)=O)cc1 785460955 HRIVIUOUDPEURE-UHFFFAOYSA-N 279.296 -0.228 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCS(=O)(=O)C1)c1ccc[nH]1 816824330 WANFAFXYDNMSSS-MRVPVSSYSA-N 285.325 -0.400 50 20 CBGD CCCCNC(=O)NNC(=O)COCC(=O)OC 823755084 AXMIKGOKDUZKEJ-UHFFFAOYSA-N 261.278 -0.694 50 20 CBGD COCCn1ccc(C(=O)NN(C)[C@@H](C)CO)n1 823934292 FFUVZKDRNXXLHZ-VIFPVBQESA-N 256.306 -0.513 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@H]1CCC[C@@H](C(=O)O)C1 833185063 VHPJWRZZJZLXDK-VHSXEESVSA-N 299.327 -0.050 50 20 CBGD CC(CS(C)(=O)=O)=NNC(=O)[C@@H]1CCO[C@H]1C 842558306 SCCXHXNDJHZITG-DTWKUNHWSA-N 262.331 -0.052 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843643596 CRXXRGXXXITYTN-DTWKUNHWSA-N 260.290 -0.778 50 20 CBGD O=C(NN=c1cc[nH]cc1)[C@@H]1CCc2nnnn2CC1 845925765 BSMYNCPKXPITRI-SECBINFHSA-N 273.300 -0.414 50 20 CBGD CCc1n[nH]cc1C(=O)NNC(=O)N1CCN(C)CC1 854379383 ZQCYQZDAYYAFTM-UHFFFAOYSA-N 280.332 -0.426 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc(O)nc(C2CC2)n1 857106091 YNEFZLOQWLZTKN-UHFFFAOYSA-N 279.300 -0.618 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCC[C@H](C)N 857113274 ZCIGLPJUKAJJLG-IUCAKERBSA-N 276.337 -0.894 50 20 CBGD CC(C)(NS(C)(=O)=O)C(=O)NNc1ccncn1 857520717 KDTVNORSTXLMBI-UHFFFAOYSA-N 273.318 -0.753 50 20 CBGD CS(=O)(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cn1 858122296 RZFQWPRKJIMPFX-UHFFFAOYSA-N 298.324 -0.376 50 20 CBGD CC(C)C(=O)NNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C 858143805 WVOHBGIXEYWOFZ-MRVPVSSYSA-N 289.332 -0.325 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cccnc2S)N1 862452088 SXMWOPAEUNLICY-SSDOTTSWSA-N 280.309 -0.590 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CCCN2C2CC2)N1 862458372 DRMQFYMGCXGCOC-VHSXEESVSA-N 280.328 -0.961 50 20 CBGD CN1CCCC[C@@H]1C(=O)NNC(=O)c1cn[nH]c1 862470818 KRUIPVHRPZCWQS-SECBINFHSA-N 251.290 -0.345 50 20 CBGD CN(C)c1ccncc1C=NNC(=O)[C@H]1CCC(=O)N1 863148194 WFKCBGPUNPGTJT-SNVBAGLBSA-N 275.312 -0.124 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CSC1CC1 863466129 PWBDZQDPUOCPFP-UHFFFAOYSA-N 266.344 -0.926 50 20 CBGD COCCOCC(=O)NN=C1CCNC(=O)CC1 872399411 AWYFWVUZGHQFOR-UHFFFAOYSA-N 257.290 -0.578 50 20 CBGD CCc1cc(C(=O)NNC(=O)CN(C)C)n(C)n1 878681373 PEGJQPSUJBMFLH-UHFFFAOYSA-N 253.306 -0.695 50 20 CBGD COCCN(C)NC(=O)Nc1nn(C)cc1C#N 878876802 USMWEBLUIZHUAV-UHFFFAOYSA-N 252.278 -0.094 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@@H]2CCCC(=O)N2C)n1 895275878 KIYCXJXBPQWSPC-VIFPVBQESA-N 292.343 -0.003 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@H]1CCCS1(=O)=O 899999201 CXULFASUMDNOHJ-SSDOTTSWSA-N 293.414 -0.143 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)CC1 908054854 JWOFBXWZONIUKS-JMJZKYOTSA-N 280.328 -0.800 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NNC(=O)CC1CC1 914751798 CJKGXDKSPBRZKJ-JTQLQIEISA-N 269.345 -0.098 50 20 CBGD COc1ccc(C)nc1NC(=O)NNC(=O)CCO 1116635631 GDCSJBSQBRYYPM-UHFFFAOYSA-N 268.273 -0.066 50 20 CBGD COC(=O)C(=O)NN=Cc1cc(Br)nn1C 1116826827 NHADEWGXFLFROW-UHFFFAOYSA-N 289.089 -0.194 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1ccn(C)n1 1118236719 IMCSRUDDAASUBZ-HTQZYQBOSA-N 288.329 -0.845 50 20 CBGD COCCc1ncc(C=NNC(=O)C(=O)OC)s1 1119010288 HVRVLIIEMYUZLR-UHFFFAOYSA-N 271.298 -0.045 50 20 CBGD CO[C@@H](C=NNC(=O)c1ncon1)[C@H]1CCOC1 1120246501 ROJAXHFCMWWAMJ-YUMQZZPRSA-N 254.246 -0.163 50 20 CBGD CN(C)N(C(=O)[C@@H]1C[C@H]1F)[C@H]1CCS(=O)(=O)C1 1123832398 YSRHMCBNNAUYIZ-DJLDLDEBSA-N 264.322 -0.163 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ncccn1 1261498205 YCNHIAINECETDV-NXEZZACHSA-N 278.312 -0.018 50 20 CBGD C=C(C)CNC(=S)NNC(=O)CCN1CCOCC1 1317697178 UJQFEDIBRXCCDZ-UHFFFAOYSA-N 286.401 -0.220 50 20 CBGD Cc1cc(=NC(=O)NNC(=O)CCO)c(C)c[nH]1 1323984765 CXUWSQIBHZKGHC-UHFFFAOYSA-N 252.274 -0.345 50 20 CBGD Cn1cccc1C(=O)NNC(=O)C(=O)NCC1CC1 1324451258 HOGDZCAUVYIGHA-UHFFFAOYSA-N 264.285 -0.688 50 20 CBGD Cc1cc(NC(=O)C(=O)NNC(=O)CN(C)C)ccc1N 1327806103 OZRHISOCGKRVEM-UHFFFAOYSA-N 293.327 -0.775 50 20 CBGD COCCOCC(=O)NNC(=O)c1cnn(C)c1C 1329976164 GOYXUHGUVZKZJC-UHFFFAOYSA-N 270.289 -0.847 50 20 CBGD COc1cc(C(=O)N2CC[C@@H](B(O)O)C2)sn1 1334807379 YTXHNKSVNZEXTO-ZCFIWIBFSA-N 256.092 -0.159 50 20 CBGD COc1nccnc1NNC(=O)c1ccoc1CC(N)=O 1345063159 GTLGVHHQNLAQRF-UHFFFAOYSA-N 291.267 -0.137 50 20 CBGD COCCCNC(=O)NNC(=O)c1nc[nH]c2nccc1-2 1347381016 QTUFYADNSGBRED-UHFFFAOYSA-N 292.299 -0.110 50 20 CBGD CC1(C)CCCN[C@H]1C(=O)NNC(=O)[C@@H]1COCCO1 1576439392 FNHFJJKFWABTBP-UWVGGRQHSA-N 285.344 -0.673 50 20 CBGD CC1(C)C[C@]1(C(=O)O)C(=O)NNC(=O)[C@@H]1COCCO1 1589219649 PQZNUTZMLHRWTM-JVXZTZIISA-N 286.284 -0.950 50 20 CBGD O=C(O)CCCCC(=O)NNC(=O)[C@H]1COCCO1 1595032731 PDMMQEMIOGKGBU-MRVPVSSYSA-N 274.273 -0.806 50 20 CBGD O=C(NCc1cccc2c1OCCO2)NNC(=O)C(=O)O 1601543727 KIVRGHDAFZMUNE-UHFFFAOYSA-N 295.251 -0.627 50 20 CBGD C[C@@](O)(CNS(=O)(=O)CCCCl)C(=O)O 1603263411 JRMYMFIWLISOCA-SSDOTTSWSA-N 259.711 -0.630 50 20 CBGD COC(=O)NNC(=O)Nc1ccnc(-c2nn[nH]n2)c1 1604951528 WLWSSSGUZAOLSL-UHFFFAOYSA-N 278.232 -0.346 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)c2cc[nH]n2)O[C@H]1C(=O)O 1607442963 ZDKVOVNSZYDDBQ-LPBLVHEISA-N 282.256 -0.951 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)c(C)c1 1609063758 BMWWJEPPXPXAMF-UHFFFAOYSA-N 296.312 -0.495 50 20 CBGD CC(=NNC(=O)C(=O)O)c1ccc(S(N)(=O)=O)cc1 1609553175 LXPLFZXPCXCXPK-UHFFFAOYSA-N 285.281 -0.741 50 20 CBGD NC(=O)NCCC(=O)NNC(=O)c1ccccc1F 47837022 LNZJACFAGDVJRW-UHFFFAOYSA-N 268.248 -0.355 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCn3ccnc3C2)[nH]n1 119715823 GERFOPUGPCJYCR-SECBINFHSA-N 288.311 -0.062 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1C[C@@H]1C(=O)OC 263667514 USNSMEDZNWWHEM-RQJHMYQMSA-N 257.315 -0.523 50 20 CBGD COC(=O)NNS(=O)(=O)c1cc(C(=O)OC)oc1C 269998279 XFPMDPBEUJAASH-UHFFFAOYSA-N 292.269 -0.076 50 20 CBGD CCNC(=O)N(C)NC(=O)CN1CCCCC1=O 272686229 PCNPVCKKUDPJQP-UHFFFAOYSA-N 256.306 -0.309 50 20 CBGD CCN1CCO[C@H](C(=O)NNc2nccc(OC)n2)C1 362906458 NXXUWSQTKRCAOE-VIFPVBQESA-N 281.316 -0.351 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)CCNS(C)(=O)=O 490788668 XOXZPGBCQUHLGD-UHFFFAOYSA-N 281.334 -0.518 50 20 CBGD CCO/C=C(\C#N)C(=O)NCC(=O)N1CCOCC1 490812743 MMPHZZZTNZOTAW-MDZDMXLPSA-N 267.285 -0.595 50 20 CBGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)NNC(=O)CO 496474197 LVDNALIRJCJPOR-SSDOTTSWSA-N 275.305 -0.713 50 20 CBGD CC[C@@H](C)[C@@H](O)C(=O)Nc1cccc(B(O)O)c1 584912003 KBIFXODSGQXDCN-LDYMZIIASA-N 251.091 -0.288 50 20 CBGD CO[C@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584959442 CYPUPMDZEJORPT-VIFPVBQESA-N 267.065 -0.634 50 20 CBGD CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1cccc(B(O)O)c1 584968110 HRQZZXNUQKJDNJ-VXGBXAGGSA-N 290.128 -0.989 50 20 CBGD CCOCCOC1CN(C(=O)c2cccc(B(O)O)c2)C1 584971599 UQZYSVMOHWMANO-UHFFFAOYSA-N 293.128 -0.756 50 20 CBGD C[C@@H](C[S@](C)=O)NCc1ccc(B(O)O)cc1F 585034947 NSBWCEQNSQNTKE-ASCAZGACSA-N 273.138 -0.638 50 20 CBGD O=S1(=O)CCCC[C@@H]1CNCc1ccc(B(O)O)o1 585035491 UVRAZLQRACANIB-SNVBAGLBSA-N 287.146 -0.984 50 20 CBGD CCN1C[C@@H](NCc2cccc(B(O)O)c2)CC1=O 585043078 HLVHZSFKFYUTSY-LBPRGKRZSA-N 262.118 -0.923 50 20 CBGD OB(O)c1ccc(CNC[C@H]2CCN2C2CC2)cc1 585049416 GHDWNQDVMXFXNC-CQSZACIVSA-N 260.146 -0.307 50 20 CBGD O=C(Nc1c(F)cccc1F)C(=O)N1CC[C@@H](B(O)O)C1 585067469 SRWNVZAUUDMNLW-SSDOTTSWSA-N 298.054 -0.021 50 20 CBGD O=C([C@@H]1CSCCS1)N1CC[C@@H](B(O)O)C1 585076861 ZWKFPGQYOOGLIX-SFYZADRCSA-N 261.177 -0.090 50 20 CBGD CN(C)c1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccn1 731658498 YYNFLFGTPFASOL-VIFPVBQESA-N 291.311 -0.813 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc2c(cc1O)OCO2 733359787 REQAFNJGBJRHTL-UHFFFAOYSA-N 281.268 -0.557 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1C[C@@H]1C(=O)O 739041823 BUPCRNHNXSYZLY-RQJHMYQMSA-N 251.242 -0.493 50 20 CBGD O=C(O)CCS(=O)(=O)NNC(=O)c1ccccn1 739743634 UCOXDGJUSAFKJY-UHFFFAOYSA-N 273.270 -0.880 50 20 CBGD CCN(CC(=O)NC)CC(=O)NNC(=O)C(C)(C)C 744402433 ISUDUFLHNOJBTD-UHFFFAOYSA-N 272.349 -0.752 50 20 CBGD C#CCOCCNC(=O)NNC(=O)c1ccc[nH]1 753376033 BHUOAJWFPSMGEI-UHFFFAOYSA-N 250.258 -0.392 50 20 CBGD O=C(CO)NNC(=O)C1=NO[C@@H](c2ccccc2)C1 753451282 CORXHNBZPBNRBS-SNVBAGLBSA-N 263.253 -0.356 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)CC(F)(F)F 759487653 SULXVMDKYHJRAH-RXMQYKEDSA-N 284.238 -0.077 50 20 CBGD COCC(=O)NNC(=O)Nc1ccc2c(c1)C(=O)NC2=O 761860865 CSXMFFCFJYADTM-UHFFFAOYSA-N 292.251 -0.631 50 20 CBGD CCN1CCO[C@@H](C(=O)NNc2ncc(F)cn2)C1 762095546 IGGMFQNRZXVUFC-SECBINFHSA-N 269.280 -0.221 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCO[C@H](C)C1 773209911 VRQTXHHEAXNEAI-SFYZADRCSA-N 277.346 -0.405 50 20 CBGD Cn1cncc1CC(=O)NNC(=O)c1ccccn1 776312795 PDLQVRUEMKVDKK-UHFFFAOYSA-N 259.269 -0.181 50 20 CBGD COc1ccc(C(=O)NNC(=O)CO)c(OC)c1OC 777781371 SANJGHDFEFTFDV-UHFFFAOYSA-N 284.268 -0.534 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCN(CC(F)(F)F)C1 792478314 HUISIWXHJIMCSU-ZETCQYMHSA-N 297.277 -0.211 50 20 CBGD CNC(=O)CCCC(=O)NNC(=O)NCC(F)(F)F 798316178 KJLQELITJQYYNC-UHFFFAOYSA-N 284.238 -0.205 50 20 CBGD C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)Cc1cc[nH]n1 800485693 NAUZKVRDNNNMOM-VAOFZXAKSA-N 266.301 -0.087 50 20 CBGD C=CCCOCC(=O)NNC(=O)N1CCN(C)CC1 807381165 GPMVOAAJDYXXPV-UHFFFAOYSA-N 270.333 -0.433 50 20 CBGD CO[C@H](C)[C@@H](C)NC(=O)NNC(=O)c1cnn(C)c1 811958626 FCEPSKYXPNVOAV-HTQZYQBOSA-N 269.305 -0.213 50 20 CBGD O=S(=O)(CCl)N1CCN(CCCO)CC1 820795695 NAJMXGZDGMKJET-UHFFFAOYSA-N 256.755 -0.488 50 20 CBGD O=C(O)NNC(=O)Nc1cnn(CCN2CCOCC2)c1 833281042 UTLCVKLAEVJCMC-UHFFFAOYSA-N 298.303 -0.481 50 20 CBGD COC(=O)[C@H](NNC(=O)[C@@H]1CCO[C@H]1C)C1CC1 843289729 XCCHDDVRCNDVJW-FXBDTBDDSA-N 256.302 -0.016 50 20 CBGD COC/C(C)=C/C(=O)NNC(=O)C(=O)NC(C)C 845103439 PGOHKHZIVSDPIJ-VMPITWQZSA-N 257.290 -0.749 50 20 CBGD C=CCCn1cc(C=NNC(=O)CN2CCCC2=O)nn1 853279692 UHZNTDQRKUDVKA-UHFFFAOYSA-N 290.327 -0.073 50 20 CBGD CC(C)CCN(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858694602 RKRDEMIDBYMJQA-VIFPVBQESA-N 270.333 -0.016 50 20 CBGD Cc1cc(C(=O)NNC(=O)Cn2nccc2C)n[nH]1 860480282 HTZCPZCOUKEMRA-UHFFFAOYSA-N 262.273 -0.316 50 20 CBGD CCOCC1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 862460576 GGFKZAQPPQDKQB-QMMMGPOBSA-N 269.301 -0.771 50 20 CBGD CN1C(=O)CC[C@H]1CC(=O)NNC(=O)c1cn[nH]c1 862469599 PTXBBDQKQAJLIJ-QMMMGPOBSA-N 265.273 -0.818 50 20 CBGD C[C@H](C(=O)NNC(=O)c1cn[nH]c1)[C@@H](C)S(C)(=O)=O 862470764 VWKZHBKUEHJWFO-NKWVEPMBSA-N 288.329 -0.760 50 20 CBGD Cc1cccc(NNC(=O)CN2CC(=O)N(C)C2=O)n1 862517998 VWJHYRHXFROLNV-UHFFFAOYSA-N 277.284 -0.273 50 20 CBGD CCC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccn(C)n1 863147514 HRIXNKXIZRSXKT-JTQLQIEISA-N 263.301 -0.071 50 20 CBGD CS(=O)(=O)CC(=O)NN=C1CCn2cccc21 863187805 GNQXZWSDOSCWTG-UHFFFAOYSA-N 255.299 -0.243 50 20 CBGD Cc1c(F)cccc1C(=O)NNC(=O)CS(C)(=O)=O 863465346 BZRPIMNCILCGSH-UHFFFAOYSA-N 288.300 -0.060 50 20 CBGD COC(=O)C1(NC(=O)c2cccc(B(O)O)c2)CCC1 863876375 XCNWJVVHUHKFID-UHFFFAOYSA-N 277.085 -0.808 50 20 CBGD CC[C@@H]1CC[C@H](C(=O)NNC(=O)COCCOC)O1 869909870 LBUHYJDXQRFDHG-NXEZZACHSA-N 274.317 -0.246 50 20 CBGD CC(C)C(=O)NNC(=O)/C=C1\SCC(=O)N1C 873797333 QFJBXFXPVNPCBX-WTKPLQERSA-N 257.315 -0.164 50 20 CBGD C#CC(=O)N1CCN(S(=O)(=O)CBr)CC1 897595318 LYARNRKGNKXZQT-UHFFFAOYSA-N 295.158 -0.554 50 20 CBGD O=C1CC[C@]2(C(=O)NNc3ncccn3)SCCN12 913043857 BAASWOYEVNRUEJ-LLVKDONJSA-N 279.325 -0.015 50 20 CBGD Cc1cc(=NNC(=O)CN2C(=O)CCC2=O)cc[nH]1 1123819169 IWQPBMDURLZEAF-UHFFFAOYSA-N 262.269 -0.596 50 20 CBGD Cc1nccc(C(=O)NNC(=O)C(=O)N2CCCC2)n1 1251402939 ZKTZJXHZSFIHAW-UHFFFAOYSA-N 277.284 -0.832 50 20 CBGD O=C1C[C@@H](C(=O)NNc2ncnc3[nH]cnc23)CCN1 1319687107 YEOSBCKFSRBZMT-LURJTMIESA-N 275.272 -0.678 50 20 CBGD COC(=O)C(=O)NN=C1CCC[C@H](S(C)(=O)=O)C1 1321392348 AYGBROIHYHHEDA-QMMMGPOBSA-N 276.314 -0.381 50 20 CBGD CC(C)c1ncc(C(=O)NNC(=O)CN(C)C)[nH]1 1322044561 IERQICCNQCPPKU-UHFFFAOYSA-N 253.306 -0.144 50 20 CBGD COC(=O)Nc1cccc(NC(=O)C(=O)NNC(C)=O)c1 1323942171 ZLYKURLNEKENHE-UHFFFAOYSA-N 294.267 -0.029 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CC1CCN(C)CC1 1324069824 JKNVXSLXCMUFCU-UHFFFAOYSA-N 284.360 -0.610 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC(C(N)=O)CC1 1326026867 KTWRSBHKJDYODJ-WCBMZHEXSA-N 298.343 -0.651 50 20 CBGD Cc1cc(NC(=O)C(=O)NNC(=O)CCO)ccc1N 1327805263 DIPCKLXTPSMEGX-UHFFFAOYSA-N 280.284 -0.954 50 20 CBGD O=C(CCCc1cccnc1)NNC(=O)C(=O)NC1CC1 1328541976 KVDZDBKBSDXZDH-UHFFFAOYSA-N 290.323 -0.170 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2ncccc2F)N1 1328719594 WWIRKJGTDPCYDK-QMMMGPOBSA-N 295.274 -0.670 50 20 CBGD CC(=O)N[C@@H](CC(=O)NCCCSC#N)C(N)=O 1331169950 HWCLSLTUKYTFLA-QMMMGPOBSA-N 272.330 -0.913 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2cccnc2)N1 1331496527 JSQMGNODKBQSOI-SECBINFHSA-N 277.284 -0.809 50 20 CBGD C[C@H](O)CN(C)NC(=O)C1CCN(S(C)(=O)=O)CC1 1332174796 HSDHJIDHRIGIFU-VIFPVBQESA-N 293.389 -0.998 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1CN2CCN1C[C@@H]2C 1349475341 XXSXRVIJUYRTNH-NWDGAFQWSA-N 278.356 -0.674 50 20 CBGD C=CCNC(=S)NNC(=O)C1=NO[C@@]2(CCNC2)C1 1574943147 LGGZKKHRMGLZIE-NSHDSACASA-N 283.357 -0.824 50 20 CBGD NCCC(=O)NNC(=O)c1cc(C(F)F)ncn1 1580281654 JWFBTRHEYUVOKP-UHFFFAOYSA-N 259.216 -0.476 50 20 CBGD NCCC(=O)NNC(=O)CCCCc1cnn[nH]1 1580281769 QHDRFCMWSFYNDV-UHFFFAOYSA-N 254.294 -0.986 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@@]12CCCNC2)c1ncon1 1580733583 YHXQVNTZALWRLU-WRWORJQWSA-N 265.273 -0.780 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)[C@H]1C[C@@H](C(=O)O)C1 1596462703 CCPXDNYSMJPVTJ-KNVOCYPGSA-N 279.318 -0.655 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNC(=O)COc1ccc(C)cc1 1604433921 IHWPNJSCVXDCPF-NSHDSACASA-N 296.279 -0.379 50 20 CBGD Cn1nc(C(=O)O)cc1C(=O)NNc1ncc(F)cn1 1605539530 XHXIARARUBSAOM-UHFFFAOYSA-N 280.219 -0.196 50 20 CBGD O=C(NCCc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)O 1608454948 UFGNGXBQRBRGHQ-UHFFFAOYSA-N 296.239 -0.448 50 20 CBGD O=C(O)c1coc(CNS(=O)(=O)CCl)n1 1608989571 SRECOPAYOBLTER-UHFFFAOYSA-N 254.651 -0.012 50 20 CBGD C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CC=C(C#N)CC1 1647132559 KNYOCJCFGCIUPN-JQWIXIFHSA-N 297.380 -0.166 50 20 CBGD Cn1cc(S(=O)(=O)NNC(=O)NCc2ccco2)cn1 49152119 PWULNRQRHPIRFS-UHFFFAOYSA-N 299.312 -0.294 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 67181570 XEOLKBQGYQVFGB-VIFPVBQESA-N 299.352 -0.306 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cccc(C(N)=O)c1 109860537 PSAHNYSYLGPQJA-UHFFFAOYSA-N 287.279 -0.108 50 20 CBGD O=C(CO)NNC(=O)c1ccn(-c2ccccc2F)n1 180965019 JECQOYPTNQAZPV-UHFFFAOYSA-N 278.243 -0.235 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)CS(C)(=O)=O 253562126 CXELSELPSPUNMQ-UHFFFAOYSA-N 252.292 -0.413 50 20 CBGD COC(=O)NCC(=O)NNC(=O)COCc1ccccc1 265644053 UYKSJAHUFZGMLB-UHFFFAOYSA-N 295.295 -0.293 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1CC[C@H]1C(=O)OC 285078852 LVLSOAGIJGFTOL-RKDXNWHRSA-N 287.316 -0.448 50 20 CBGD COC(=O)N(C)NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 286259706 HJPBQESRWQLULR-RKDXNWHRSA-N 297.311 -0.109 50 20 CBGD CC(C)[C@H](O)C(=O)NNC(=O)CNC(=O)c1cccs1 291490684 LMQVDKGANVUMLK-JTQLQIEISA-N 299.352 -0.358 50 20 CBGD C[C@@H](NC(=O)C(C)(C)C)C(=O)NNc1nnc[nH]1 293955790 PKBIOFIDGCWXAF-ZCFIWIBFSA-N 254.294 -0.201 50 20 CBGD CC[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)C(=O)OC 295694467 ZLULLJVXXNZIES-BDAKNGLRSA-N 272.301 -0.098 50 20 CBGD COCCN(C)NC(=O)[C@@](C)(O)Cn1c(C)cccc1=O 297114724 ONACCSCFXLIADQ-AWEZNQCLSA-N 297.355 -0.483 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 368244580 OYDWKXVXNXSIPY-SDDRHHMPSA-N 296.371 -0.210 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)NCC(=O)NCC#N 496351407 ZAERDCPIRMWWLM-UHFFFAOYSA-N 271.277 -0.635 50 20 CBGD CC(C)[C@@](C)(C#N)NC(=O)COc1ccc(B(O)O)cc1 584909457 LRAYYMPFZVLCEY-CQSZACIVSA-N 290.128 -0.200 50 20 CBGD COC[C@H](C)N(C)C(=O)c1ccc(B(O)O)c(F)c1 584931990 LUQZIANNBUTELX-QMMMGPOBSA-N 269.081 -0.388 50 20 CBGD CSCCN(C)C(=O)c1cccc(B(O)O)c1 584958628 UXXXCUHVVHGLGW-UHFFFAOYSA-N 253.132 -0.199 50 20 CBGD C[C@H]1OCCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1C 584962906 MFAGLIBCSBXPCT-NXEZZACHSA-N 263.102 -0.384 50 20 CBGD O=C(N[C@@H]1CCC[C@H]1CCO)c1cccc(B(O)O)c1 584974296 NHLSHVVRDLXXGI-GXFFZTMASA-N 277.129 -0.353 50 20 CBGD C[C@H](O)C1(NC(=O)c2cc(B(O)O)ccc2F)CC1 585006042 PXPFCSPXAYGXIC-ZETCQYMHSA-N 267.065 -0.851 50 20 CBGD O=C(NCCNCc1ccccc1B(O)O)C1CCCC1 585023103 CTZRVBLSQGTTFA-UHFFFAOYSA-N 290.172 -0.238 50 20 CBGD C[C@@H](CO[C@@H]1CCOC1)NCc1cccc(B(O)O)c1 585029518 AIDBACKXLNUJQP-SMDDNHRTSA-N 279.145 -0.350 50 20 CBGD OB(O)c1ccc(CNC[C@H]2CC[C@H](O)C2)c(F)c1 585037769 JJOZDUXUSMBVHL-CABZTGNLSA-N 267.109 -0.244 50 20 CBGD COc1ccc(OCCCC(=O)NCB(O)O)cc1 585055861 FVYCVLBJNVTGEL-UHFFFAOYSA-N 267.090 -0.018 50 20 CBGD C[C@H](CC(=O)NCB(O)O)n1cc(Br)cn1 585062868 OQSSGKVYDBRBDN-ZCFIWIBFSA-N 289.926 -0.275 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)Cn1ccccc1=O 732082709 KEZQXOKAUVZEGW-UHFFFAOYSA-N 275.268 -0.659 50 20 CBGD Cn1cc(C(=O)NNC(=O)NC[C@@H]2CCCCO2)cn1 735582863 SKPYSJVNDUQYHS-JTQLQIEISA-N 281.316 -0.067 50 20 CBGD CN1CC[C@H](NC(=O)NNc2ncccn2)C1=O 739059601 QIILZXLGJQQSGC-ZETCQYMHSA-N 250.262 -0.667 50 20 CBGD CS/C=C\C(=O)NNC(=O)C(=O)N1CCCC1 751571926 MZSBPWVEKYHSQZ-DAXSKMNVSA-N 257.315 -0.367 50 20 CBGD C[C@]1(C(=O)NNc2ccc(C(N)=O)nn2)CCOC1 758326819 VTECNGMLMQPXEP-NSHDSACASA-N 265.273 -0.555 50 20 CBGD O=C(CNC(=O)c1ccncc1)NNc1ncc(F)cn1 760908688 QOQMINBKVNATRW-UHFFFAOYSA-N 290.258 -0.116 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CCSC1 762167665 MHCSLULIXHHVLU-QMMMGPOBSA-N 297.336 -0.090 50 20 CBGD O=C(NNC(=O)c1ccc[nH]1)c1ccc2nnc(O)n2c1 762680838 KHYMDIZYWAQXEH-UHFFFAOYSA-N 286.251 -0.162 50 20 CBGD Cc1cccc(F)c1NNC(=O)[C@@H](CO)NC(N)=O 771706938 JQMBYRVRTKWLBS-MRVPVSSYSA-N 270.264 -0.394 50 20 CBGD Cc1n[nH]c(C)c1CC(=O)NNC(=O)c1cnn(C)c1 787002662 CAOSFHZVPQENKZ-UHFFFAOYSA-N 276.300 -0.236 50 20 CBGD CCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cn[nH]c1 789004305 RMTRUQVGNJRZLI-ZETCQYMHSA-N 287.345 -0.422 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cc(C)on1 790295618 LCKXMJXWEJXHFS-MRVPVSSYSA-N 288.329 -0.239 50 20 CBGD Cn1cc(C(=O)NNC(=O)Cc2ncccc2F)cn1 792186294 OFFUYJKSROTZGE-UHFFFAOYSA-N 277.259 -0.042 50 20 CBGD C[C@@H]1CSCC1=NNC(=O)[C@H](C)NS(C)(=O)=O 794905220 SHMLEFCHERUZAU-RQJHMYQMSA-N 279.387 -0.221 50 20 CBGD COC[C@H](C)[C@H](C)C(=O)NNC(=O)N1CCOCC1 812536359 ZGFAKWCGPKEOOM-UWVGGRQHSA-N 273.333 -0.022 50 20 CBGD CC[C@H](C)N(CCO)CC(=O)NNC(=O)C(C)C 829902595 KHNPQRAVQMIJCI-JTQLQIEISA-N 259.350 -0.117 50 20 CBGD O=S(=O)(CCl)NC[C@H](CO)[C@H]1CCOC1 849391687 SWODVALACGGSSM-JGVFFNPUSA-N 257.739 -0.253 50 20 CBGD CO[C@H](C)CNC(=O)NNC(=O)CNC(=O)c1ccco1 852037197 KUCZNPGBZJAXPD-MRVPVSSYSA-N 298.299 -0.625 50 20 CBGD CO[C@@H](C)CNC(=O)NNC(=O)Cc1cccnc1 852058720 KXMUIWUXMJZFKG-VIFPVBQESA-N 266.301 -0.011 50 20 CBGD CN1C(=O)CC[C@@H]1CC(=O)NNC(=O)c1ccncc1 854117048 CKXDXRSWDFVPJP-SNVBAGLBSA-N 276.296 -0.147 50 20 CBGD C[C@@H](C(=O)NNC(=O)CC(F)(F)F)N1C(=O)CCC1=O 855002323 SJVIEHPTTFWQGF-YFKPBYRVSA-N 295.217 -0.376 50 20 CBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=S)NCC1CCC1 855089710 CPHPOEDKZLCQKH-IUCAKERBSA-N 284.385 -0.207 50 20 CBGD Cn1ncc2c1C[C@H](C(=O)NNC(=O)c1cc[nH]n1)CC2 855356376 QYKLPKUAVGRMBX-MRVPVSSYSA-N 288.311 -0.291 50 20 CBGD CC(C)[C@H](O)C(=O)NNC(=O)c1cccc(F)n1 856426681 DXASARUFOJZHQU-VIFPVBQESA-N 255.249 -0.001 50 20 CBGD COc1ccc(NC(=O)NNC(=O)CCCN)cn1 857764193 LEITZRYLRCLJCS-UHFFFAOYSA-N 267.289 -0.018 50 20 CBGD CC(C)OCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862452797 ZJZVZWUJLFOWPR-QMMMGPOBSA-N 257.290 -0.773 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1O 862452799 ZKAOFMLCDJUAHN-VIFPVBQESA-N 277.280 -0.260 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1C#N 862459870 BJNKHJUNPKAJLB-LLVKDONJSA-N 286.291 -0.094 50 20 CBGD COC(=O)[C@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 863869993 WLYVEHWUHNEBLV-LLVKDONJSA-N 277.085 -0.856 50 20 CBGD O=C1NCCC[C@H]1C(=O)NNC(=S)NCC1CCC1 869217141 OPEMZLJAUMHSGU-SECBINFHSA-N 284.385 -0.192 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H](F)C(C)C 869906305 LGOIPGSCUMXNPV-SECBINFHSA-N 250.270 -0.209 50 20 CBGD COCCOCC(=O)NNC(=O)c1cccc(OC)n1 869909760 IQKXEZQHKDKSMA-UHFFFAOYSA-N 283.284 -0.486 50 20 CBGD CN(C)CC(=O)NN=Cc1cn(C[C@H]2CCCO2)nn1 872348357 WOEBCSQOWXZUCV-LLVKDONJSA-N 280.332 -0.531 50 20 CBGD COC(OC)C(=O)NNC(=O)Cn1nc(C)cc1C 873803619 MUPUATWGHBXBQJ-UHFFFAOYSA-N 270.289 -0.734 50 20 CBGD CN(C)C1(C(=O)NNC(=O)CN2CCCC2=O)CCC1 913731329 DIGIXXCTSDSJSX-UHFFFAOYSA-N 282.344 -0.760 50 20 CBGD CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)CN1CCCC1=O 913733366 GJBXWLUNCYKLLF-RKDXNWHRSA-N 271.317 -0.837 50 20 CBGD COCCS(=O)(=O)CC(=O)NNC(=O)OC(C)(C)C 915617174 YLQBTTBQEYEQIR-UHFFFAOYSA-N 296.345 -0.397 50 20 CBGD O=C(Cn1cncn1)NNC(=O)NC1CCCCC1 917906669 GQEYIJGQCORQIZ-UHFFFAOYSA-N 266.305 -0.059 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1c(C)c(C)nn1C 1116620396 AWNLOQFJBMOLDY-UHFFFAOYSA-N 297.315 -0.841 50 20 CBGD CS(=O)(=O)CC(=O)NNc1ccc(-n2ccnc2)nn1 1117277367 DHSYLJKPNWCDBJ-UHFFFAOYSA-N 296.312 -0.850 50 20 CBGD O=C(COC[C@@H]1CCCO1)N1CC[C@H](B(O)O)C1 1118915749 JHVXQCZTSJNYND-UWVGGRQHSA-N 257.095 -0.743 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(C)nc1 1254905749 UPFKCIHCJZACTB-UHFFFAOYSA-N 280.284 -0.488 50 20 CBGD O=C(NC[C@@H]1CCN(C2CC2)C1)NNC(=O)c1cn[nH]c1 1261789618 KCEWLPICANFYGQ-VIFPVBQESA-N 292.343 -0.162 50 20 CBGD O=C1C[C@@H](C(=O)NNC(=O)c2cccnc2)CCN1 1319335289 HQBASYUUNOSWKK-QMMMGPOBSA-N 262.269 -0.631 50 20 CBGD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NNc1ncccn1 1319918282 OUBDZILBOQCIEQ-CBAPKCEASA-N 279.300 -0.805 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cn(C)cn1 1320250242 XQOAOGQRSZLGDM-UHFFFAOYSA-N 281.316 -0.514 50 20 CBGD COc1cccc(NNC(=O)C(=O)Nc2ccn(C)n2)n1 1320338957 OWUXQWPBQRGUJU-UHFFFAOYSA-N 290.283 -0.095 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cc(C)ncn1 1324217715 SIHNFHUJWBUNFA-UHFFFAOYSA-N 251.246 -0.409 50 20 CBGD CC(C)C(=O)NNC(=O)C(=O)Nc1cccnc1F 1326352580 HRAWSHLRVCMWHZ-UHFFFAOYSA-N 268.248 -0.037 50 20 CBGD C[C@@H](NC(=S)NNC(=O)c1nnc(O)nc1O)C1CC1 1328431592 ZJUNUTXLZLBMQD-SCSAIBSYSA-N 298.328 -0.810 50 20 CBGD Cc1cc(C)c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)[nH]1 1331692176 UCXADMMFMXBIOS-QMMMGPOBSA-N 264.285 -0.329 50 20 CBGD CC[C@@](C)(C#N)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1335329464 JCQRKSQSPASGCA-CPCISQLKSA-N 252.274 -0.648 50 20 CBGD CCOC1CC(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 1336669115 FKYFNCVOJLQXTL-UDNWOFFPSA-N 283.328 -0.382 50 20 CBGD C#CCCCC(=O)NNS(=O)(=O)c1cn(C)nc1C 1337805880 ORHUSJIFFQNZEB-UHFFFAOYSA-N 284.341 -0.158 50 20 CBGD CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1cc[nH]n1 1343882017 KEXILFPZQHUTHJ-UHFFFAOYSA-N 276.256 -0.306 50 20 CBGD CN1CC[C@H]1CNC(=O)NNc1ncncc1F 1344374256 LVVXKABDZZQRFL-ZETCQYMHSA-N 254.269 -0.054 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=S)NCC(F)(F)F)N1 1348411382 MBDOPFAIJDIPPP-BYPYZUCNSA-N 284.263 -0.677 50 20 CBGD Cc1ncc(C=NNC(=O)CS(C)(=O)=O)n1C 1351650250 GINFYSNBEVNLDM-UHFFFAOYSA-N 258.303 -0.777 50 20 CBGD CC(C)NC(=S)NNC(=O)c1c(N)cnn1C 1575722035 FMSPIDJQYYMVFJ-UHFFFAOYSA-N 256.335 -0.480 50 20 CBGD CCOC(=O)[C@H](N)C(=O)NNC(=O)C1CCCC1 1577921975 SUUGKGNBPNAHSS-MRVPVSSYSA-N 257.290 -0.786 50 20 CBGD CCN(CCO)NC(=O)CCCn1ccc(C(=O)O)n1 1596340699 KWGONZGXZXAMPG-UHFFFAOYSA-N 284.316 -0.293 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccc(C(=O)O)[nH]1 1598662021 RKCRZNXSDHNATK-UHFFFAOYSA-N 256.287 -0.206 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCCc2cccnc21 1601552797 IPLLAQCHGPGMAW-MRVPVSSYSA-N 278.268 -0.126 50 20 CBGD O=C(O)C(=O)NNC(=S)NC(C1CC1)C1CC1 1601636292 YYKBXVJPWFZGCG-UHFFFAOYSA-N 257.315 -0.245 50 20 CBGD CCN1CCC[C@H]1CNC(=S)NNC(=O)C(=O)O 1605477796 QOKKNTGBMZBZCC-ZETCQYMHSA-N 274.346 -0.949 50 20 CBGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)CN)C1 1842878430 AGLHRDXZHOKWAL-VIFPVBQESA-N 289.763 -0.598 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccccc2O)N1 6095186 GSJXNPYYEXPWOH-QMMMGPOBSA-N 263.253 -0.568 50 20 CBGD NC[C@H]1CCN(CC(=O)NNC(=O)c2cccs2)C1 50248823 HROWCAURWQNILP-SECBINFHSA-N 282.369 -0.210 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=O)c1cc(C)n[nH]1 153009560 LMDOXZBARLSQJM-ZCFIWIBFSA-N 253.262 -0.996 50 20 CBGD C#CCSCCNC(=O)NNC(=O)C(=O)N1CCCC1 265892240 ZAWUHFRQLYBEEP-UHFFFAOYSA-N 298.368 -0.694 50 20 CBGD COCCOCC(=O)NNc1nc(C)cc(OC)n1 266942383 QAMBGCUIRXNPFZ-UHFFFAOYSA-N 270.289 -0.100 50 20 CBGD COC(=O)COCC(=O)NNc1cccc(F)n1 288296351 QVADNVUCJAHBTB-UHFFFAOYSA-N 257.221 -0.147 50 20 CBGD COC(=O)CCCNC(=O)NNC(=O)[C@@H]1CCCCO1 297577120 DNUACUAWQFDKPM-VIFPVBQESA-N 287.316 -0.161 50 20 CBGD COCCCCNC(=O)c1ccc(B(O)O)cc1 584929514 NKOUJZIUNUTDQH-UHFFFAOYSA-N 251.091 -0.477 50 20 CBGD CN(CC(C)(C)O)C(=O)c1ccc(B(O)O)cc1 584956276 ZPWHIVCVHNLWOU-UHFFFAOYSA-N 251.091 -0.791 50 20 CBGD C[C@@H](CCCO)NC(=O)c1ccc(B(O)O)cc1 584958236 NFYZHYDDOWBTIH-VIFPVBQESA-N 251.091 -0.743 50 20 CBGD CC1(NC(=O)c2cc(B(O)O)ccc2F)CCOCC1 584965048 KMGXFMAEOGDZBY-UHFFFAOYSA-N 281.092 -0.196 50 20 CBGD CCCN(C(=O)c1cccc(B(O)O)c1)[C@H]1CCN(C)C1 585003019 FUOAHPSELIGDDI-AWEZNQCLSA-N 290.172 -0.077 50 20 CBGD C[C@]1(C#N)CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 585008100 GHGGHYUNGKBLBR-CYBMUJFWSA-N 276.076 -0.119 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@H]2C[C@H](CO)[C@H]2C1 585010127 KKGYEQGQTYGZOM-WZRBSPASSA-N 275.113 -0.933 50 20 CBGD CNC(=O)C1CCC(NCc2ccc(B(O)O)cc2)CC1 585019654 QLGNGPUPPFPMLQ-UHFFFAOYSA-N 290.172 -0.239 50 20 CBGD CCc1nc2n(n1)CCC[C@@H]2NCc1ccc(B(O)O)o1 585028059 CTEGXMDCQDDNCC-JTQLQIEISA-N 290.132 -0.262 50 20 CBGD Cc1c(CNCc2ccc(B(O)O)cc2)cnn1C 585033798 GHLVRVLMCSBVSI-UHFFFAOYSA-N 259.118 -0.302 50 20 CBGD Cc1cc(CNCc2ccccc2B(O)O)n(C)n1 585042796 VBABVWRCPCFUOI-UHFFFAOYSA-N 259.118 -0.302 50 20 CBGD Cc1ccccc1C(=O)N[C@@H](C(=O)NCB(O)O)C(C)C 585053983 FHEBUWPDOKCOMO-GFCCVEGCSA-N 292.144 -0.122 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)NCCNS(C)(=O)=O 728595353 AZCAFNSZTCWVLS-UHFFFAOYSA-N 294.377 -0.698 50 20 CBGD CCNC(=O)CCC(=O)NNC(=O)c1ccccn1 729257435 DSWSTOYOTBQCOH-UHFFFAOYSA-N 264.285 -0.241 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H](C)CN1CCOCC1 731280098 GLFNZHQZUISJNM-JTQLQIEISA-N 288.348 -0.926 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCn2cccn2)cn1 735470741 HKABLAFXJQOFJQ-UHFFFAOYSA-N 262.273 -0.532 50 20 CBGD Cc1nc([N+](=O)[O-])cn1CCC(=O)NNC(=O)NC1CC1 748719183 ZFULLIWENWWIIG-UHFFFAOYSA-N 296.287 -0.017 50 20 CBGD O=C(NN=C1C(=O)Nc2c(F)cccc21)C(=O)NC1CC1 753955645 PEKIKCDIPUHIQH-UHFFFAOYSA-N 290.254 -0.123 50 20 CBGD COCCOCCS(=O)(=O)NNC(=O)C1CCCC1 754749264 ZZUUOTQPZIZVHC-UHFFFAOYSA-N 294.373 -0.210 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(CC)C(=O)C1 755289621 GUOSYBZJVLAROK-VIFPVBQESA-N 270.333 -0.904 50 20 CBGD CC[C@H]1CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)CCO1 756826760 LHELVUHCSRFRCP-SCZZXKLOSA-N 291.373 -0.015 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCCN(C)CC1 758120780 QTAYTRNBDPVHKT-VIFPVBQESA-N 290.389 -0.488 50 20 CBGD NS(=O)(=O)c1cccc(NC(=O)NNC(=O)C2CC2)c1 764655297 XHGJQLKLORWCJB-UHFFFAOYSA-N 298.324 -0.103 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)c2ccncc2)C1=O 771841109 USICOFYEPKVFFC-SECBINFHSA-N 262.269 -0.679 50 20 CBGD CCCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)C(C)(C)O 787946240 QFSJFBZQNGEKEN-SECBINFHSA-N 285.344 -0.304 50 20 CBGD CC(COC(C)C)=NNC(=O)[C@H](C)NS(C)(=O)=O 799879074 OLUAZLOTCMAFML-VIFPVBQESA-N 279.362 -0.159 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)C[C@@H](C)COC 809832123 LTOPMNAODVKYIH-QMMMGPOBSA-N 267.351 -0.235 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CC[C@H]2C(N)=O)n1 816827090 DULKIDPPEFPZBM-NXEZZACHSA-N 293.327 -0.841 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 823907022 FWZABUJWRRQSBJ-UWVGGRQHSA-N 293.389 -0.998 50 20 CBGD C[C@]1(C(=O)O)CCN(CC(=O)NNC(=O)C2CC2)C1 828024300 MRNXPALKMCRJJF-LBPRGKRZSA-N 269.301 -0.660 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)[C@H]2CC(=O)N2)n1 831982829 HBQKCXNXSFRDBH-GSVOUGTGSA-N 256.653 -0.956 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@@H]1CCOC1 843654109 ZDQNPQPELKENLM-GUBZILKMSA-N 256.302 -0.015 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cn2cccnc2n1 843976767 YWUNXWKLTFNHPW-IUCAKERBSA-N 289.295 -0.085 50 20 CBGD Cn1cc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cn1 853388910 WICFXDKELMFQHG-NEPJUHHUSA-N 277.328 -0.267 50 20 CBGD O=C(CCN1CCCC1=O)NNC(=O)c1cccc(F)n1 856424999 XHKACUVFLOPSDT-UHFFFAOYSA-N 294.286 -0.006 50 20 CBGD C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)CN(C)C)C1 857855686 WIPSHHNXARIKJO-SCZZXKLOSA-N 279.344 -0.215 50 20 CBGD COCC(C)(C)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858483197 BLZZBLJXAZSLRM-MRVPVSSYSA-N 286.332 -0.732 50 20 CBGD CC1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCCC1 862451766 ALFVRAJDNHBMJI-MRVPVSSYSA-N 253.302 -0.007 50 20 CBGD C[C@@H]1CC[C@@H](CCC(=O)NNC(=O)[C@H]2CCC(=O)N2)O1 862455928 KPWASTBLZNICPQ-KXUCPTDWSA-N 283.328 -0.240 50 20 CBGD COC(=O)c1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)cn1C 863153550 VVDXNUFKFKUVPW-VIFPVBQESA-N 292.295 -0.460 50 20 CBGD COC(OC)C(=O)NNC(=O)c1ccc2c(c1)OCO2 873750875 KQCYFECWLSCHHS-UHFFFAOYSA-N 282.252 -0.205 50 20 CBGD CSCc1cn(CC(=O)NNC(=O)C2CC2)nn1 881291966 DPKOYDIOYJIODR-UHFFFAOYSA-N 269.330 -0.302 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 920858576 IOJAZDUTMLYSTD-WRWORJQWSA-N 286.357 -0.209 50 20 CBGD CC(C)(C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(F)F 1256287227 SBPJJLBCUJKULB-ZCFIWIBFSA-N 298.311 -0.140 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(CO)c(F)c1 1261776034 BWWMJJQSTNMYTF-UHFFFAOYSA-N 297.286 -0.396 50 20 CBGD Cc1ccc(C(=O)C(=O)NNC(=O)C(=O)NC(C)C)cc1 1317763796 IXOJTPJHFGRHAC-UHFFFAOYSA-N 291.307 -0.150 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCn1cncn1 1318422401 QIUVGSUZXQIWGI-UHFFFAOYSA-N 263.261 -0.839 50 20 CBGD COc1ccc(C(=O)NNC(=O)CSCC(N)=O)cc1 1318589382 FMLRVZJFKATNHP-UHFFFAOYSA-N 297.336 -0.325 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(C)on1 1320232960 WJJRUNVWLSYRIU-UHFFFAOYSA-N 270.245 -0.895 50 20 CBGD C=C[C@H](COC)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 1320439354 LNSVPJCJNNKIGA-MWLCHTKSSA-N 291.373 -0.432 50 20 CBGD N#CCC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1320681900 HUFCFYGJJMRWQP-UHFFFAOYSA-N 288.311 -0.246 50 20 CBGD Cn1nnc(CNC(=O)NNC(=O)c2ccccc2O)n1 1321357163 AQWFMRASVYLQPI-UHFFFAOYSA-N 291.271 -0.940 50 20 CBGD O=C(CCO)NNC(=O)Nc1cccc(-n2ccnn2)c1 1323926895 HBBICTNPLFMWBH-UHFFFAOYSA-N 290.283 -0.198 50 20 CBGD C#CC[C@H](CCOC)NC(=O)NNC(=O)c1ncccn1 1328717579 AQYUTJMEYITYRY-SNVBAGLBSA-N 291.311 -0.151 50 20 CBGD CC1(O)CCN(C(=O)NNC(=O)c2cn[nH]c2)CC1 1331537367 UCIJHFWWGYIGNN-UHFFFAOYSA-N 267.289 -0.389 50 20 CBGD COCCCNC(=O)NNC(=O)C1CCOCC1 1337858389 BGIODGBSDUEBLR-UHFFFAOYSA-N 259.306 -0.220 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCCn1cc(CO)nn1 1343770245 QJVJDXBWXSUFFR-MDZDMXLPSA-N 279.300 -0.279 50 20 CBGD Cn1cc(C(=O)N2CC=C(C#N)CC2)c(O)nc1=O 1466141375 VCOPUDYCZJGXKF-UHFFFAOYSA-N 260.253 -0.218 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCN[C@H]([C@H]2CCCO2)C1 1578413315 KRZVALFXFHHCEE-GRYCIOLGSA-N 298.387 -0.757 50 20 CBGD N[C@H]1CC=C(C(=O)NNC(=O)c2cnsn2)C1 1580168307 GAIJWUYAJCODHQ-LURJTMIESA-N 253.287 -0.653 50 20 CBGD Cn1[nH]cnc1=NC(=O)NNc1ncccc1C(=O)O 1594599386 RUFSMZHCROXOGP-UHFFFAOYSA-N 277.244 -0.521 50 20 CBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNc2ncccc2C(=O)O)O1 1594648230 UWXSUQNVCYZXJQ-JGVFFNPUSA-N 294.267 -0.744 50 20 CBGD CCC(O)(CC)CCNC(=O)NNC(=O)C(=O)O 1595323698 RMZTXADDNWWBGB-UHFFFAOYSA-N 261.278 -0.657 50 20 CBGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)[C@H]1C[C@H]1C(=O)O 1601555853 KLGJZFHIKFLFLC-IQJOONFLSA-N 290.275 -0.142 50 20 CBGD O=C(O)CC(=O)NNC(=O)NCc1ccccc1 1601888313 WFBPSKKAEPHHCA-UHFFFAOYSA-N 251.242 -0.008 50 20 CBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNc1ccc(C(N)=O)nn1 1605023555 SDNUCUKOHFMDJF-GCXOYZPQSA-N 279.256 -0.871 50 20 CBGD CCCNC(=O)NNC(=O)c1cc(C(=O)O)on1 1605331508 MFBKHCQOSIKGDV-UHFFFAOYSA-N 256.218 -0.273 50 20 CBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)o1)c1cccnc1 1609558595 WGSQKHBXFILHQF-UHFFFAOYSA-N 299.250 -0.071 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 48949418 YJPSDYLZWTUJTE-QMMMGPOBSA-N 280.284 -0.412 50 20 CBGD O=C(CCNC(=O)c1ccco1)NNC(=O)NC1CC1 64428598 RBPXEJKWKOZCSL-UHFFFAOYSA-N 280.284 -0.108 50 20 CBGD O=C(NC[C@@H]1CC=CCC1)NNC(=O)C(=O)NC1CC1 69240265 BWYOUSREGDGDJS-SECBINFHSA-N 280.328 -0.048 50 20 CBGD CC(=O)NNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 120012727 KEJJYSAGWXSAID-RKDXNWHRSA-N 267.285 -0.671 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1cccc(N(C)C)n1 124257463 XFWPRTHFVJIKPT-UHFFFAOYSA-N 280.332 -0.138 50 20 CBGD O=C1CN(S(=O)(=O)CBr)CCN1 126632750 SBEOIEHZEMBZMD-UHFFFAOYSA-N 257.109 -0.900 50 20 CBGD CN(CC(=O)NNc1ccncc1)S(C)(=O)=O 180515089 ONEVXFCCXBMLHZ-UHFFFAOYSA-N 258.303 -0.584 50 20 CBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CCC2)cn1 270811674 WNGYXTBBOLDAIF-UHFFFAOYSA-N 298.324 -0.710 50 20 CBGD C[C@@H](O)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 276378588 PRBXSNLUMCAWFB-MRVPVSSYSA-N 299.352 -0.049 50 20 CBGD COC(=O)CCCNC(=O)NNC(=O)[C@@H]1CCCO1 291570073 DCJLIQBPLOODAC-QMMMGPOBSA-N 273.289 -0.551 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)C2=COCCO2)O1 294257567 OKMWITGDICREOO-YUMQZZPRSA-N 256.258 -0.411 50 20 CBGD O=C(NNc1cccnn1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 363312576 MMHJPWQSMXKTQZ-MRVPVSSYSA-N 287.283 -0.304 50 20 CBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CO 495302210 NLJGFFWYFKLEMF-UHFFFAOYSA-N 275.305 -0.569 50 20 CBGD CN(C)[C@@H](CNC(=O)c1cc(B(O)O)ccc1F)C1CC1 584932479 MIBHVGXBMJYXEX-ZDUSSCGKSA-N 294.135 -0.425 50 20 CBGD CCOCC(C)(C)NC(=O)c1cccc(B(O)O)c1 584993109 SWDIFKHMKICOHS-UHFFFAOYSA-N 265.118 -0.089 50 20 CBGD C[C@H]1[C@@H](N(C)C)CCN1C(=O)c1cccc(B(O)O)c1 584993142 UCSQXRWSUAESDD-GWCFXTLKSA-N 276.145 -0.469 50 20 CBGD C[C@@H]1CCC[C@]1(O)CNC(=O)c1cc(B(O)O)ccc1F 584995154 QIHFEIGTCVCGEO-OTYXRUKQSA-N 295.119 -0.214 50 20 CBGD O=C(N[C@H]1CC12CCOCC2)c1ccc(B(O)O)cc1 584997370 FHDQBHHHHWKWRO-LBPRGKRZSA-N 275.113 -0.335 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCc3c[nH]nc3C2)cc1 585030599 HKWRKCVSTYSJJF-CYBMUJFWSA-N 271.129 -0.263 50 20 CBGD CCOCCc1nc(-c2ccc(B(O)O)cc2)no1 585048870 FQXNVECKWZXBGQ-UHFFFAOYSA-N 262.074 -0.005 50 20 CBGD O=S(=O)(NCB(O)O)c1sccc1Cl 585057001 GRMZAKFDEUGXTI-UHFFFAOYSA-N 255.513 -0.308 50 20 CBGD CNC(=O)NNC(=O)C1(S(=O)(=O)c2ccccc2)CC1 731342820 ASRPUEGGGWEISQ-UHFFFAOYSA-N 297.336 -0.047 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@@H](COC)C1 741796341 YRRMZSPPHDJEBG-NXEZZACHSA-N 273.333 -0.721 50 20 CBGD CC(=O)NCC(=O)NNc1cc(Cl)nc(N)n1 753456748 CDVBBRRXHSZUOK-UHFFFAOYSA-N 258.669 -0.709 50 20 CBGD C[C@@H](C(=O)NNc1cc(Cl)nc(N)n1)S(C)(=O)=O 753457760 TUMWMXIGNSKWDV-BYPYZUCNSA-N 293.736 -0.412 50 20 CBGD CN(CC(=O)NNc1ccccn1)[C@H]1CCS(=O)(=O)C1 753564249 QQESWHUXWVSFOF-JTQLQIEISA-N 298.368 -0.356 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)C1CCC1)S(C)(=O)=O 754130565 JAASPJAPURVRSU-ZETCQYMHSA-N 277.346 -0.450 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)CN1CCCCC1=O 755271214 ZLXRCIJDQCQHRN-UHFFFAOYSA-N 279.300 -0.888 50 20 CBGD COC(=O)[C@@H](C)Oc1ccc(C=NNC(=O)C(N)=O)cc1 758357851 BZKXMBCVSJCBEX-MRVPVSSYSA-N 293.279 -0.438 50 20 CBGD N#Cc1ccc2[nH]cc(C=NNC(=O)C(N)=O)c2c1 760224572 FFEKLLJEESNTIS-UHFFFAOYSA-N 255.237 -0.025 50 20 CBGD COC(=O)c1cnc(C(=O)NNC(=O)C2CCC2)cn1 779665021 OPUNFZCIXGQTFL-UHFFFAOYSA-N 278.268 -0.176 50 20 CBGD Cn1ncc(C(=O)NNC(=O)NC2CCCC2)n1 786008694 XGPCHRCFYRASHD-UHFFFAOYSA-N 252.278 -0.298 50 20 CBGD Cc1cccc(C(=O)NNC(=O)c2ccc3nnnn3c2)n1 794078257 WPCIAGUHXLMILW-UHFFFAOYSA-N 297.278 -0.097 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cccc2c1CCO2 797009997 ZEBVVZVCKZYYCQ-UHFFFAOYSA-N 293.279 -0.646 50 20 CBGD CO[C@@](C)(C(=O)NNC(=O)C(=O)NC(C)C)C1CC1 813378035 LXPDXVUBMWKYPZ-GFCCVEGCSA-N 271.317 -0.527 50 20 CBGD C[C@@H]1C[C@@H](C)N(CC(=O)NNC(=O)C2CC2)C[C@H]1CN 817880452 VFSIRFWUHSFVIP-CKYFFXLPSA-N 282.388 -0.151 50 20 CBGD CN1C(=O)CC[C@@H](NC(=O)NNC(=O)C(C)(C)C)C1=O 823012361 VELOGDNAGXRNGK-SSDOTTSWSA-N 284.316 -0.490 50 20 CBGD CCCN([C@@H]1CC(=O)N(C)C1=O)S(=O)(=O)CCl 831412939 QVVRHEXFSBKHNB-SSDOTTSWSA-N 282.749 -0.018 50 20 CBGD CC(C)N1CC[C@@H](N(C)CC(=O)NNC(=O)C2CC2)C1 832777870 DAQRYLHVZFCIHO-GFCCVEGCSA-N 282.388 -0.042 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccnc(C(=O)O)c2)cn1 833041706 OLZWOABBOPUMRW-UHFFFAOYSA-N 289.251 -0.412 50 20 CBGD COCCN(C)NC(=O)c1ccc(=O)n(CCOC)c1 848377633 PSMPNQMBMBWMLS-UHFFFAOYSA-N 283.328 -0.282 50 20 CBGD O=C(NNc1nc2ccccn2n1)N[C@H]1CCNC1 851670221 IAJRPEOUBCQEKV-QMMMGPOBSA-N 261.289 -0.283 50 20 CBGD CO[C@@H](C)CNC(=O)NNC(=O)CNC(=O)c1ccco1 852037198 KUCZNPGBZJAXPD-QMMMGPOBSA-N 298.299 -0.625 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1nccnc1C 853936730 UBZYENNJSBEPRV-QMMMGPOBSA-N 280.284 -0.112 50 20 CBGD O=C1C[C@@H](C(=O)NNC(=O)OCC(F)(F)F)N1 856026191 PZJAONWJBGXQLT-VKHMYHEASA-N 255.152 -0.805 50 20 CBGD COCc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 862449416 OTRYNXXHEVKOLX-LLVKDONJSA-N 291.307 -0.127 50 20 CBGD O=C(CC[C@H]1CCCCO1)NNC(=O)[C@@H]1CCC(=O)N1 862454671 IPZCIFBLMHQPTH-ZJUUUORDSA-N 283.328 -0.238 50 20 CBGD CCOCC1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 862460575 GGFKZAQPPQDKQB-MRVPVSSYSA-N 269.301 -0.771 50 20 CBGD CCC(C#N)(CC)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862463750 LDROMMTYJSYTAS-QMMMGPOBSA-N 266.301 -0.258 50 20 CBGD CCc1c(C(=O)NNC(=O)c2cn[nH]c2)cnn1C 862471350 ATINVIKRGKGAPB-UHFFFAOYSA-N 262.273 -0.220 50 20 CBGD Cc1cc(=NNC(=O)CN(C)S(C)(=O)=O)cc[nH]1 862509575 PUPJRIOZRVVRED-UHFFFAOYSA-N 272.330 -0.854 50 20 CBGD Cc1cccc(NNC(=O)C2(S(N)(=O)=O)CC2)n1 862519691 OLARISQJEQETNO-UHFFFAOYSA-N 270.314 -0.346 50 20 CBGD Cc1ccc2nc(C(=O)NNC(=O)CN(C)C)cn2c1 863865615 WEKSESQGWPGKFR-UHFFFAOYSA-N 275.312 -0.035 50 20 CBGD O=C(CCC1(O)CCC1)NNC(=O)C(=O)N1CCCC1 865069903 CMSWMWNKGGCLMU-UHFFFAOYSA-N 283.328 -0.549 50 20 CBGD CNC(=O)[C@H]1CN(S(=O)(=O)CCCCl)CCO1 882055280 JNUXVDBZOICWBG-MRVPVSSYSA-N 284.765 -0.608 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1C[C@H]2CC[C@H]1[C@H](O)C2 884438928 OKNACTBOVLFWON-HHHUOAJASA-N 297.355 -0.003 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H](c1cncn1C)N(C)C 910150381 QSVTVCWYSANCJW-KOLCDFICSA-N 269.349 -0.633 50 20 CBGD CN1CCNC[C@H]1C(=O)NNc1ccccc1[N+](=O)[O-] 911925917 LEGPKWYMMIBXMF-NSHDSACASA-N 279.300 -0.059 50 20 CBGD COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)CN1CCCC1=O 913732559 ATGHHRYABFGOIP-NXEZZACHSA-N 285.344 -0.325 50 20 CBGD CCS(=O)(=O)CC(=O)NNC(=O)c1ccncc1 919676811 XZZHSJFTIHEQDR-UHFFFAOYSA-N 271.298 -0.723 50 20 CBGD O=C(CCN1CCOCC1)NNC(=S)NC1CC1 1115812627 ZBOFFEOGUIZWKY-UHFFFAOYSA-N 272.374 -0.634 50 20 CBGD O=C(CC[C@@H]1CCOC1)NNC(=O)[C@H]1CCC(=O)N1 1118884241 CSMOJXXQBWIPII-RKDXNWHRSA-N 269.301 -0.771 50 20 CBGD Cc1n[nH]cc1C=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1323086951 GOTVJDRYBFMBLD-MRVPVSSYSA-N 270.314 -0.397 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cccnn1 1329252218 GITLGHWOKRGRON-SCZZXKLOSA-N 279.300 -0.268 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)C2=COCCC2)N1 1330227651 SMUYRGHFPJARFS-QMMMGPOBSA-N 253.258 -0.893 50 20 CBGD CC(=O)N1CCC[C@H](C(=O)NNC(=O)C2CCOCC2)C1 1330828917 GUBIUJCGQZMZPQ-LBPRGKRZSA-N 297.355 -0.181 50 20 CBGD O=C(CCNc1ccccc1)NNC(=O)[C@H]1CCC(=O)N1 1331803865 PWAOXIOZMHROKN-LLVKDONJSA-N 290.323 -0.085 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@H]1CN2CCN1C[C@@H]2C 1347519011 ZHAQHBJBQAVLBV-VHSXEESVSA-N 269.349 -0.887 50 20 CBGD O=C(NN=Cc1csnn1)[C@@H]1CN2CCC[C@H]2CO1 1549319591 WARPVSWLWCAYPC-UWVGGRQHSA-N 281.341 -0.149 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@H](C(=O)O)C2CC2)n[nH]1 1574326839 YZGNGFIRKMFUSI-JTQLQIEISA-N 280.284 -0.481 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@]12CCNC2)c1cccc(F)n1 1574333699 HXTYBDTXJNCYDN-OQPBUACISA-N 278.287 -0.019 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)[C@H]2CCCCO2)nn1 1776077642 NGLCMGFPGJKNFX-SECBINFHSA-N 281.272 -0.618 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 48949722 SEOIOKDSJUDMJD-WKEGUHRASA-N 272.330 -0.599 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCN(C)C(=O)C2)[nH]n1 153345255 SZZFKMDCQNQADG-QMMMGPOBSA-N 279.300 -0.652 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1Cc2ccccc2C(=O)O1 265079189 PSNATGGGYVUJFU-LLVKDONJSA-N 291.307 -0.523 50 20 CBGD O=C(Cc1ccc(O)cc1)NNC(=O)C(=O)N1CCCC1 268430895 RSNFCCXOVZYCAI-UHFFFAOYSA-N 291.307 -0.296 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccc(C(=O)NC)nc1 272695169 RPGFQNMUMDDBIZ-UHFFFAOYSA-N 279.300 -0.253 50 20 CBGD COc1ccccc1OCC(=O)NNC(=O)C(C)(C)O 276237403 KQPFQVTZJIMGHR-UHFFFAOYSA-N 282.296 -0.008 50 20 CBGD COC[C@H](CO)NC(=O)NNC(=O)c1ccccc1 279590798 HOYGMIGPXZCLFC-JTQLQIEISA-N 267.285 -0.362 50 20 CBGD CN1C[C@@H](C(=O)NNC(=O)NCC(F)(F)F)CC1=O 281190791 KEAYWNFHRUBPOU-YFKPBYRVSA-N 282.222 -0.643 50 20 CBGD CN1C[C@H](C(=O)NNC(=O)[C@@H]2CCCCO2)CC1=O 295256771 ATYJYICQPCUTPE-BDAKNGLRSA-N 269.301 -0.819 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NN=c1cc[nH]cc1 368084817 HSICPHXGKKZZOU-LLVKDONJSA-N 250.302 -0.333 50 20 CBGD CC1(O)CCC(NC(=O)c2ccc(B(O)O)c(F)c2)CC1 584960828 NJVWEDOJWPNZAD-UHFFFAOYSA-N 295.119 -0.071 50 20 CBGD CCc1nnc(CNC(=O)c2ccc(B(O)O)c(F)c2)o1 584966732 JPXZMDLIMCQCJD-UHFFFAOYSA-N 293.063 -0.619 50 20 CBGD O=C(NC1(CO)CCCC1)c1cccc(B(O)O)c1 584967829 NGTFSSSPQMOMKG-UHFFFAOYSA-N 263.102 -0.599 50 20 CBGD Cc1noc([C@@H](C)NCc2cccc(B(O)O)c2)n1 585038297 ZEYDZYDVHDWDDX-MRVPVSSYSA-N 261.090 -0.091 50 20 CBGD CN1CCC[C@@H]1CCNCc1ccc(B(O)O)cc1 585046927 DMHNCPDZTCYQCY-CQSZACIVSA-N 262.162 -0.060 50 20 CBGD CC(C)(C)N1C[C@H](CNCc2ccc(B(O)O)o2)CC1=O 585049632 ILVLEEQGHWXEGE-JTQLQIEISA-N 294.160 -0.304 50 20 CBGD Cn1ccc(C(=O)NNC(=O)Cc2cccnc2)n1 728850096 IGXCWTZXVDOJHA-UHFFFAOYSA-N 259.269 -0.181 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)[C@@H]1CCN(C)C1=O 738330645 HVNGLEMUJSDHQD-WDEREUQCSA-N 298.387 -0.269 50 20 CBGD CC(C)N(CC(N)=O)CC(=O)NNC(=O)C(C)(C)C 744385659 SCPSGEYORYJKGN-UHFFFAOYSA-N 272.349 -0.624 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@H]1COCCO1 745173286 MPMOGRDVSLJYOO-SSDOTTSWSA-N 261.347 -0.304 50 20 CBGD CN(C)C(=O)NNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 746003343 HNUOGZZRSTWISB-GFCCVEGCSA-N 297.315 -0.991 50 20 CBGD Cc1cccnc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 752237627 AEPGYNZHDJCKDA-MRVPVSSYSA-N 262.269 -0.570 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cc(C(N)=O)cs1 779818224 XTZJSNWPTXNPFL-UHFFFAOYSA-N 284.297 -0.347 50 20 CBGD CCOC(=O)NCC(=O)O[C@H](C)C(=O)NNC(=O)CC 785661833 XSICVSXKMHEGQK-SSDOTTSWSA-N 289.288 -0.778 50 20 CBGD NC(=O)C(=O)NN=C1CCOC[C@H]1CN1CCCCC1 787147769 MSZYFFFBQGKXSI-SNVBAGLBSA-N 282.344 -0.534 50 20 CBGD CCCNC(=O)NNS(=O)(=O)C[C@@H](C)OC 800833843 JFMUDWXYAITARQ-SSDOTTSWSA-N 253.324 -0.435 50 20 CBGD Cn1nccc1COCC(=O)NNc1cnccn1 803118927 JCSPZUREUBCSBJ-UHFFFAOYSA-N 262.273 -0.130 50 20 CBGD Cc1ncsc1C(=O)NNC(=O)NCCC(=O)O 819018798 WUWGORAFNZUTMG-UHFFFAOYSA-N 272.286 -0.130 50 20 CBGD NC(=O)c1c[nH]c(C(=O)NNC(=O)CC2CC2)c1 819103997 FTNWRXWDTHILMD-UHFFFAOYSA-N 250.258 -0.325 50 20 CBGD CNS(=O)(=O)c1ccc(C(=O)NN(C)C2CC2)o1 819645181 AHBKZBRSGHFRCQ-UHFFFAOYSA-N 273.314 -0.073 50 20 CBGD COc1ccnc(NNC(=O)[C@@](C)(C#N)CC(=O)O)n1 820881757 UFYKVDJKXHXEIJ-LLVKDONJSA-N 279.256 -0.067 50 20 CBGD CCN(C(C)=O)c1ccc(NC(=O)NNC(=O)CO)cn1 824586693 FOKXRTLONSBOAH-UHFFFAOYSA-N 295.299 -0.401 50 20 CBGD CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)CO 827894559 QBBALMXFOMHMLQ-VIFPVBQESA-N 287.360 -0.297 50 20 CBGD CO[C@H](CN)CC(=O)NNc1nc(-c2ccncc2)no1 828217671 JMQVCFQIUSQRQP-VIFPVBQESA-N 292.299 -0.062 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n(C)n1 843647344 SQZXBARAFJWEFC-RKDXNWHRSA-N 266.301 -0.085 50 20 CBGD CNC(=S)N(C)NC(=O)c1cn(CCOC)nc1C 854923030 XPJGMJCGZPACGE-UHFFFAOYSA-N 285.373 -0.081 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C1CC(OC)C1 859539518 OTGXJXMKQWTHFZ-UHFFFAOYSA-N 285.344 -0.136 50 20 CBGD CCn1cc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 860329761 GPWGXIJGOKSYGC-QMMMGPOBSA-N 280.288 -0.666 50 20 CBGD C=CCCn1cc(C=NNC(=O)[C@H]2CCC(=O)N2)nn1 863151340 LAMSIEWSLZLEQA-SNVBAGLBSA-N 276.300 -0.417 50 20 CBGD CCOC(=O)[C@@H](C)CNC(=O)c1cc(B(O)O)ccc1F 863877347 WULVZODXAPYKMP-QMMMGPOBSA-N 297.091 -0.566 50 20 CBGD CCn1ncc(C(=O)NNC(=O)COCCOC)c1C 869901652 UFRXDVVOQYMJBK-UHFFFAOYSA-N 284.316 -0.365 50 20 CBGD COCCOCC(=O)NNC(=O)C1CCSCC1 869909636 DPZMOCVHADNUBO-UHFFFAOYSA-N 276.358 -0.060 50 20 CBGD CN(C(=O)c1ccc(B(O)O)cc1)[C@@H]1CCCC[C@H]1O 869925653 AVBXEDRXQQOYQI-CHWSQXEVSA-N 277.129 -0.258 50 20 CBGD COC[C@](C)(CO)NCC(=O)NNC(=O)c1ccccc1 879163373 HMBPOWAFZNUZCX-AWEZNQCLSA-N 295.339 -0.565 50 20 CBGD O=C(NNC(=O)C1CCOCC1)c1cn2cccnc2n1 883062322 YIMHTHYUQKCRFP-UHFFFAOYSA-N 289.295 -0.083 50 20 CBGD C#CCCCC(=O)NNC(=O)CN(C)C(=O)COC 887145809 SDQYRAVUVLGAMQ-UHFFFAOYSA-N 269.301 -0.958 50 20 CBGD C#CCCCC(=O)NNC(=O)/C=C1/SCC(=O)N1C 887152118 XDZPRRNXCLAGMK-KPKJPENVSA-N 281.337 -0.016 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCc2cnn(C)c2C1 910149361 DARIUUKIIRSGTJ-NXEZZACHSA-N 266.345 -0.131 50 20 CBGD NC(=O)CSCC(=O)NNC(=O)c1ccc(F)cc1 915263370 JLYHAWNWPYQCSR-UHFFFAOYSA-N 285.300 -0.195 50 20 CBGD C=CCC1(O)CCN(C(=O)c2cccc(B(O)O)c2)CC1 924429377 ZBFHRVMJQVTDSE-UHFFFAOYSA-N 289.140 -0.090 50 20 CBGD CO[C@@H]1CCOC[C@H]1NCC(=O)NNC(=O)C(C)(C)C 934036971 KPSKOCQXUUBYCB-NXEZZACHSA-N 287.360 -0.427 50 20 CBGD O=C1CN(CCNC(=O)NNc2ccc(F)cc2)CCN1 1116521005 FDZBBWMRBSZNKZ-UHFFFAOYSA-N 295.318 -0.116 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)c1cccnc1 1117743798 YUJZJCRMSGESIJ-JTQLQIEISA-N 286.295 -0.303 50 20 CBGD Cc1ncc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)n1C 1261652503 LHVHJNMPHBUBCB-VIFPVBQESA-N 299.356 -0.451 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cc(F)cc(OC)c1 1320358069 MJPZEFNZZKKTPA-UHFFFAOYSA-N 299.258 -0.433 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=S)NC(C)C)C1 1320671012 PWTOVMHQEMBVSR-UHFFFAOYSA-N 258.347 -0.632 50 20 CBGD Cn1nncc1C(=O)NNC(=O)Cc1cccnc1 1321147574 BQFDRQQIEGAXHJ-UHFFFAOYSA-N 260.257 -0.786 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1C[C@@H](OC)C1(C)C 1323666988 DKEUZXBQKLKROY-RNFRBKRXSA-N 273.289 -0.697 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(O)nn1 1324511168 JJFHAMIOZFIWOT-MRVPVSSYSA-N 266.257 -0.488 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC[C@@]3(CCOC3)C2)N1 1328717922 GEFXPSGHONLWMY-NOZJJQNGSA-N 296.327 -0.882 50 20 CBGD Cn1cccc1C(=O)C(=O)NNC(=O)NCC1CC1 1330110428 ONIOVXLSFAAMSP-UHFFFAOYSA-N 264.285 -0.052 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1cncnc1C1CC1 1330169436 YUOXYMRAXRCVRQ-UHFFFAOYSA-N 298.324 -0.840 50 20 CBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNc1ncncc1F 1330458252 COECQZKOPBTAOG-QMMMGPOBSA-N 285.279 -0.808 50 20 CBGD CC(C)NC(=S)NNC(=O)c1nc2ncccn2n1 1330703469 JBEFHEWSDUKGDI-UHFFFAOYSA-N 279.329 -0.358 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)OCC(F)(F)F)N1 1331280791 NHNZFROKNWHEFV-BYPYZUCNSA-N 269.179 -0.415 50 20 CBGD C[C@H](O)CN(C)NC(=O)C1(O)Cc2ccccc2C1 1332629765 ZXTXISYODPBBNZ-JTQLQIEISA-N 264.325 -0.140 50 20 CBGD O=C(CCN1CCOCC1)NNC(=O)C1CCOCC1 1334369762 ACHGTOFNXQDPIL-UHFFFAOYSA-N 285.344 -0.717 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C1CCC1)[C@@H]1CN(C)CCN1C 1347185467 JSHLUILDKHMEOU-PWSUYJOCSA-N 297.403 -0.249 50 20 CBGD CO[C@@H]1CN[C@](C)(C(=O)NNc2ncc(F)cn2)C1 1573961844 VFLUCDABMRIKNT-KWQFWETISA-N 269.280 -0.174 50 20 CBGD C[C@H](CO)N(C)NC(=O)C1([C@]2(O)CCCNC2)CCC1 1576036368 INSAWLPNCHLJIP-RISCZKNCSA-N 285.388 -0.385 50 20 CBGD C[C@@H](N)[C@@H](C)NC(=O)NNC(=O)c1cnsn1 1576104737 HKYFHSHJCOIRCO-RFZPGFLSSA-N 258.307 -0.782 50 20 CBGD CCOC(=O)[C@@H](N)C(=O)NNC(=O)OC(C)(C)C 1577922273 WCSNCUPHUDLPRI-LURJTMIESA-N 261.278 -0.567 50 20 CBGD NNC(=O)[C@@H](CCC(N)=O)NC(=O)CCC1CCCC1 1580358483 IXDRJDWQSRENKX-SNVBAGLBSA-N 284.360 -0.303 50 20 CBGD C[C@@H](CNC(=O)NNc1ncncc1F)C(=O)O 1589056202 JKDSIHXGCAGBMO-YFKPBYRVSA-N 257.225 -0.038 50 20 CBGD C[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cn1)N(C)C 1591720410 DYLGQJMMUCZVPV-ZETCQYMHSA-N 276.304 -0.345 50 20 CBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)C1CCOCC1 1592360329 UIQAHSGBHQQZSV-ZETCQYMHSA-N 258.274 -0.329 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(C(=O)O)no1 1594646525 YHMZWLSELNSRPB-RITPCOANSA-N 283.240 -0.441 50 20 CBGD Cn1c2c(ccc1=O)C(=NNC(=O)C(=O)O)CCC2 1600923124 XRSOSYRPVCRTPR-UHFFFAOYSA-N 263.253 -0.374 50 20 CBGD O=C(NCC1(C(=O)O)CC1)NNC(=O)[C@@H]1CCCCO1 1601469015 LDNZYOBKKSKFCR-QMMMGPOBSA-N 285.300 -0.249 50 20 CBGD O=C(Cn1cc(C(=O)O)cn1)NN=c1cc[nH]cc1F 1608376256 XFSNHKZBEKBOKO-UHFFFAOYSA-N 279.231 -0.319 50 20 CBGD CC(=O)NNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 44999480 HMFXLRMYOGYCOL-UHFFFAOYSA-N 297.336 -0.092 50 20 CBGD Cc1ccc(NNC(=O)C(=O)NCC(=O)N(C)C)cc1 131408313 HEPOAELKDXFIEC-UHFFFAOYSA-N 278.312 -0.357 50 20 CBGD CN1CCC[C@@H]1C(=O)NNC(=O)Cc1cccnc1 264169880 VOHRNROTCSPKQC-LLVKDONJSA-N 262.313 -0.134 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CC(c2cccnc2)=NO1 276914406 WUQIZVWTXAGJBF-VIFPVBQESA-N 263.257 -0.465 50 20 CBGD COC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)Cc1cccnc1 285676141 QRCWZXWBMBURTP-WDEREUQCSA-N 291.307 -0.029 50 20 CBGD COCCN(C)NC(=O)CCn1cc([N+](=O)[O-])cn1 288380950 IWNKPIIWFFEUHH-UHFFFAOYSA-N 271.277 -0.209 50 20 CBGD CCOC(=O)N1CCC(C(=O)NN(C)C(N)=O)CC1 494433022 CIVHLMGKWZBZSL-UHFFFAOYSA-N 272.305 -0.103 50 20 CBGD COC(=O)NCC(=O)NNc1ccc(-n2ccnc2)nn1 495770937 RFHJLHFLOGRUKF-UHFFFAOYSA-N 291.271 -0.539 50 20 CBGD CS(=O)(=O)CCCC(=O)Nc1cccc(B(O)O)c1 584911689 WXEXFMGSYBBFGW-UHFFFAOYSA-N 285.130 -0.870 50 20 CBGD C[S@@](=O)CCCNC(=O)c1cc(B(O)O)ccc1F 584941536 KEQPSCJEJQGQSY-LJQANCHMSA-N 287.121 -0.996 50 20 CBGD CCN(CCNC(=O)c1cccc(B(O)O)c1)C(C)C 584945433 HXJBIYQMHUEUQM-UHFFFAOYSA-N 278.161 -0.174 50 20 CBGD O=C(NC[C@H](O)C1CCCC1)c1ccc(B(O)O)c(F)c1 584959434 GXMATBLKQLEJBI-ZDUSSCGKSA-N 295.119 -0.214 50 20 CBGD C[C@H]1OCCN(C(=O)c2cc(B(O)O)ccc2F)[C@@H]1C 584962163 BFMKOPZNIFQWLN-RKDXNWHRSA-N 281.092 -0.245 50 20 CBGD C[C@@H](CNC(=O)c1ccc(B(O)O)c(F)c1)[S@](C)=O 584967027 PJOWQZONDSCXSN-IIYDVTGLSA-N 287.121 -0.998 50 20 CBGD C[C@@H](O)C[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F 584972635 CJIPSXAJFOBSLC-HTQZYQBOSA-N 269.081 -0.605 50 20 CBGD O=C(NCC1(CO)CCCC1)c1cccc(B(O)O)c1 584978739 WEYFVWBWALTHRE-UHFFFAOYSA-N 277.129 -0.351 50 20 CBGD C[C@H]1CN(C)CC[C@H]1NCc1ccc(B(O)O)o1 585021948 GFZLYTHUMWMRBE-GXSJLCMTSA-N 252.123 -0.611 50 20 CBGD CCN1CCCC[C@H]1CNCc1ccc(B(O)O)o1 585023368 KJUDOLRUMXKMQR-NSHDSACASA-N 266.150 -0.077 50 20 CBGD OB(O)c1ccc(CNCCCOCC2CCOCC2)o1 585025307 QVHYSPCHURHKEJ-UHFFFAOYSA-N 297.160 -0.118 50 20 CBGD CN1CCC[C@H](NCc2ccc(B(O)O)cc2)C1=O 585026277 KDHNPELAINRJTM-LBPRGKRZSA-N 262.118 -0.923 50 20 CBGD CC[C@@H]1CN(CCNCc2ccc(B(O)O)cc2)CCO1 585038630 IKIIZGHWHYMKDC-OAHLLOKOSA-N 292.188 -0.433 50 20 CBGD C[C@H](c1ccccc1)N1C[C@H](C(=O)NCB(O)O)CC1=O 585057279 BCDHPWBTYALXGY-ZYHUDNBSSA-N 290.128 -0.276 50 20 CBGD Cc1ccc(C(=O)NNC(=S)NCC(N)=O)c(O)c1 727079079 OJMZMXPPIRDKQH-UHFFFAOYSA-N 282.325 -0.705 50 20 CBGD O=C(O)CCCNC(=O)NNC(=O)Cc1ccccn1 738576570 FJRXBCFFQUUVQY-UHFFFAOYSA-N 280.284 -0.181 50 20 CBGD O=C(COCc1ccccc1)NNC(=O)C(=O)NC1CC1 744463849 ZDOHQVAYPNFPNA-UHFFFAOYSA-N 291.307 -0.371 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H](C)COC 748454904 SNPNPFPUPUEQIE-RKDXNWHRSA-N 277.321 -0.597 50 20 CBGD CCN(C)C(=O)c1cccc(C(=O)NNC(=O)CO)c1 753444825 BENRNLJOYUCERU-UHFFFAOYSA-N 279.296 -0.468 50 20 CBGD COC(=O)c1cnc(C(=O)NNC(=O)C(C)C)cn1 770466243 KADFJUDBPFFRMX-UHFFFAOYSA-N 266.257 -0.320 50 20 CBGD COCCCNC(=O)NNC(=O)C1(OC)CCOCC1 785956950 ZSVZAMRFALBPMR-UHFFFAOYSA-N 289.332 -0.451 50 20 CBGD Cn1ncc(C(=O)NNC(=O)COc2ccccc2O)n1 786121801 IYEKVCIJIZMLOB-UHFFFAOYSA-N 291.267 -0.639 50 20 CBGD CC(CCCO)=NNC(=O)[C@H](C)NS(C)(=O)=O 814835122 IEMUZCKXFOPYKE-QMMMGPOBSA-N 265.335 -0.811 50 20 CBGD COCCS(=O)(=O)CC(=O)NN(C)C1CC1 819646720 CDJGTGXHEHSEHV-UHFFFAOYSA-N 250.320 -0.827 50 20 CBGD CNS(=O)(=O)c1ccc(C(=O)NN(C)C2CC2)cn1 819649584 HRWIBKPBCYANFX-UHFFFAOYSA-N 284.341 -0.271 50 20 CBGD Cc1occc(=O)c1OCC(=O)NN(C)C[C@@H](C)O 822558136 QBRKZAMWRSMCKW-MRVPVSSYSA-N 270.285 -0.329 50 20 CBGD Cc1cc(F)c(CC(=O)NNC(=O)CO)cc1F 827895560 VHRVZWPQKIMYAL-UHFFFAOYSA-N 258.224 -0.045 50 20 CBGD C[C@H](N)C1CCN(CC(=O)NNC(=O)C2CC2)CC1 843348709 NHJSVVWBFDZVTG-VIFPVBQESA-N 268.361 -0.397 50 20 CBGD C[C@@H](N)C(=O)NNc1ccccc1S(C)(=O)=O 843437086 NWEOMCZQAIHVJW-SSDOTTSWSA-N 257.315 -0.120 50 20 CBGD Cc1nn(CC(=O)NNC(=O)C2CCCC2)c(=O)n1C 846812881 CUPVJWLPSFFQNB-UHFFFAOYSA-N 281.316 -0.772 50 20 CBGD O=C1N[C@H](C(=O)NNC(=O)c2ccccc2)CCO1 858101408 OLPFYHGBYXBKSX-VIFPVBQESA-N 263.253 -0.054 50 20 CBGD CSCC[C@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858233779 UYTLCZRHEBZSAF-JGVFFNPUSA-N 288.373 -0.263 50 20 CBGD CNC(=S)N(C)NC(=O)Cn1cc(C(=O)OC)cn1 861963089 VFZMRKKNHLBXRN-UHFFFAOYSA-N 285.329 -0.863 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CCN1C1CCCC1 862468667 LDDRPRGXALIWJT-LBPRGKRZSA-N 299.371 -0.186 50 20 CBGD C#CCCCCCC(=O)NNC(=O)CS(C)(=O)=O 863464076 GFSKVFAEFHEOKD-UHFFFAOYSA-N 274.342 -0.238 50 20 CBGD CN1CCCC[C@@H](C(=O)NNC(=O)N2CCOCC2)C1=O 874248347 PBWJGNRUSLREMO-JTQLQIEISA-N 298.343 -0.682 50 20 CBGD COC[C@H](CS(=O)(=O)NN(C)C(=O)OC)OC 882184110 LCSMSXHRCZIYLX-SSDOTTSWSA-N 270.307 -0.820 50 20 CBGD CO[C@]1(C(=O)NNC(=O)c2cnn(C)c2)CCSC1 889041645 LSTQMBHHGOWWJV-LLVKDONJSA-N 284.341 -0.297 50 20 CBGD CCn1cc(C=NNC(=O)CN2CCCC2=O)nn1 901154744 TYUVPULSZBOXLB-UHFFFAOYSA-N 264.289 -0.630 50 20 CBGD C[C@]1(C(=O)N2CCO[C@@H](C(N)=O)C2)C[C@@H]1Br 906469106 YJVIUNZADTWHKN-FWWHASMVSA-N 291.145 -0.127 50 20 CBGD C[C@H]1CCCN(C(=O)C(=O)NN(C)C[C@@H](C)O)C1 910161086 RRGPKRVRLSEUMA-VHSXEESVSA-N 257.334 -0.411 50 20 CBGD CC[C@H](O)[C@H](C)C(=O)NNC(=O)COCCOC 913432985 CWAMSBQRNMHCDT-IUCAKERBSA-N 262.306 -0.796 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CSCC(N)=O)cc1 915263492 RNYPIDWEABJJFJ-UHFFFAOYSA-N 281.337 -0.025 50 20 CBGD CN(C)C(=O)CNC(=S)NNC(=O)c1ccccc1 918715575 FUCIPGVIVTYJFZ-UHFFFAOYSA-N 280.353 -0.116 50 20 CBGD CC(C)C1(C(=O)NNC(=O)N2CCN(C)CC2)COC1 935859766 CKFVFVDPXYBPSG-UHFFFAOYSA-N 284.360 -0.353 50 20 CBGD CCCN1CCCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1118942605 FUMFUXZUEWDMJT-WDEREUQCSA-N 296.371 -0.323 50 20 CBGD CC(C)NC(=S)NNC(=O)c1c([N+](=O)[O-])cnn1C 1253910717 AOVDKSXBLLLQRO-UHFFFAOYSA-N 286.317 -0.154 50 20 CBGD Cc1nn(CCCl)c(C)c1C(=O)NN1CC(=O)NC1=O 1255932898 CJLZCPHUDGPQSL-UHFFFAOYSA-N 299.718 -0.065 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1cnn(C)c1C 1261222974 FLQHLEFJXJFRTL-UHFFFAOYSA-N 261.307 -0.759 50 20 CBGD CC1(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CCC1 1318954403 NSEUTOANFBQGRP-QMMMGPOBSA-N 274.342 -0.241 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(C(=O)NC)CC1 1320371077 SXCZRACCONKFCZ-SSDOTTSWSA-N 285.300 -0.998 50 20 CBGD C[C@@H](C#N)CNC(=O)NNC(=O)c1cnn(C)c1 1325134819 WQZMKGBOHYBYDN-ZETCQYMHSA-N 250.262 -0.476 50 20 CBGD COC(=O)C(=O)NN=C1CCOC2(CCOCC2)C1 1336977551 YPSQOJXKAVSXKR-UHFFFAOYSA-N 270.285 -0.009 50 20 CBGD CNC(=O)c1cccc(NC(=O)NNC(=O)CCO)c1C 1342676760 VXVAITLKJUPWNG-UHFFFAOYSA-N 294.311 -0.110 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cn(C2CCOCC2)nn1 1350779046 WUFCXYICHQJJMG-VIFPVBQESA-N 283.332 -0.413 50 20 CBGD CN(C)CC(=O)NN=Cc1cnc2n1CCOC2 1353974842 BDSHNPYQQXFVPL-UHFFFAOYSA-N 251.290 -0.575 50 20 CBGD Cn1cncc1C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1 1549315258 BAGQNQVLNQLIKI-CMPLNLGQSA-N 277.328 -0.267 50 20 CBGD C[C@@]1(CNC(=O)NNC(=O)c2ccc[nH]2)CNCCO1 1576515529 BUSYXIPJZPRRFA-LBPRGKRZSA-N 281.316 -0.663 50 20 CBGD C[C@@H]1CC(=O)CC[C@@H]1C(=O)NNC(=O)NCCN 1576588040 OQFVELJHHLFEDE-APPZFPTMSA-N 256.306 -0.719 50 20 CBGD O=C(NNC(=O)[C@H]1CC(C(=O)O)=NO1)NC1CCCCC1 1594782479 AQPFMGHQNYCAIA-SECBINFHSA-N 298.299 -0.121 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1 1596470721 FOHWMKYSTPRWAT-FSDSQADBSA-N 259.262 -0.785 50 20 CBGD CC(C)[C@@H](CNCc1ccccc1B(O)O)C(=O)O 1602992025 ZTVJXEHFNZZEIF-LLVKDONJSA-N 265.118 -0.187 50 20 CBGD O=C(CN1CCCCC[C@H]1C(=O)O)NNC(=O)C1CC1 1608330942 IJENOYVGDHHEGA-JTQLQIEISA-N 283.328 -0.127 50 20 CBGD O=S(=O)(CCCCl)NCCc1ncn[nH]1 70820644 JVTNDAVLLZVBIS-UHFFFAOYSA-N 252.727 -0.105 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)CNc2ccccc2)C1 124712739 AGWSOQJNRGBUOU-GFCCVEGCSA-N 292.339 -0.424 50 20 CBGD C[C@H](NC(=O)c1cccs1)C(=O)NN(C)C(N)=O 181086758 ODLKEIAWGACVBE-LURJTMIESA-N 270.314 -0.092 50 20 CBGD CC(C)(NS(C)(=O)=O)C(=O)NNC(=O)c1ccc[nH]1 266014739 IRHDLAZCNIYIQF-UHFFFAOYSA-N 288.329 -0.897 50 20 CBGD CN(C)C/C=C/C(=O)NNC(=O)Cc1ccncc1 267034881 ZVXXYRIRQZSJRI-ONEGZZNKSA-N 262.313 -0.111 50 20 CBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)c1cnn(C)c1 268199360 MIJJGBHNLABLFF-SSDOTTSWSA-N 268.273 -0.620 50 20 CBGD CSCCNC(=S)NNC(=O)CCn1ccnn1 271380553 HJMFXRZUWVMMFM-UHFFFAOYSA-N 288.402 -0.474 50 20 CBGD CN(NC(=O)CSc1nnnn1C1CCCC1)C(N)=O 271407707 WPSGIEGGGYGNRB-UHFFFAOYSA-N 299.360 -0.078 50 20 CBGD COc1ccccc1C(=O)NCC(=O)NN(C)C(N)=O 274730103 UESSWHGHYKINRN-UHFFFAOYSA-N 280.284 -0.533 50 20 CBGD COc1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)O)cc1 277864240 CDXLVBDKFFTLBM-UHFFFAOYSA-N 295.295 -0.448 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]21 289392201 RCXSVAWDNIBLGY-HOSYDEDBSA-N 293.323 -0.162 50 20 CBGD CNC(=O)NCCC(=O)NNC(=O)c1ccc(Cl)nc1 292970981 IHNBVYOZPTWWOG-UHFFFAOYSA-N 299.718 -0.185 50 20 CBGD COc1cc(OC)cc(C(=O)NCC(=O)NNC(C)=O)c1 298293915 GNMLNJFZKIUZOF-UHFFFAOYSA-N 295.295 -0.399 50 20 CBGD COC(=O)N1CCN(CC(=O)NNC(=O)C(C)C)CC1 497191004 QESQXTTUDXBNJF-UHFFFAOYSA-N 286.332 -0.826 50 20 CBGD CC(C)NC(=O)CN(C)C(=O)c1cc(B(O)O)ccc1F 584925438 GYJZERGFJUMYIF-UHFFFAOYSA-N 296.107 -0.898 50 20 CBGD CN1CCC[C@H](CNC(=O)c2cc(B(O)O)ccc2F)C1 584944971 UHEOLTLTSVKVIW-SNVBAGLBSA-N 294.135 -0.423 50 20 CBGD CO[C@@H]1CCC[C@H]1NC(=O)c1cccc(B(O)O)c1 584997409 FYRAKFMMSPYYHB-VXGBXAGGSA-N 263.102 -0.336 50 20 CBGD O=C(N[C@@H]1CCC[C@H]1O)c1cc(B(O)O)ccc1F 585000111 ZJCBVYNWONIQSK-GHMZBOCLSA-N 267.065 -0.851 50 20 CBGD O=C1[C@@H](NCc2ccc(B(O)O)cc2F)CCN1C1CC1 585039401 UKJYLXRAXMAKNK-ZDUSSCGKSA-N 292.119 -0.642 50 20 CBGD C[C@@H]1NC(=O)CC[C@@H]1CNCc1ccc(B(O)O)cc1 585045512 BSOPLNGSCHQVPT-CMPLNLGQSA-N 276.145 -0.629 50 20 CBGD OB(O)c1ccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)c(F)c1 585045935 OQKJWZFZVUCVMX-RTXFEEFZSA-N 265.093 -0.085 50 20 CBGD NC(=O)CC1(CNCc2ccc(B(O)O)o2)CCCCC1 585049346 DMWWDKFTMNNZJB-UHFFFAOYSA-N 294.160 -0.125 50 20 CBGD CCS(=O)(=O)CC(C)=NNC(=O)C(=O)N1CCCC1 733747307 OIKIGTJMTQKGKE-UHFFFAOYSA-N 289.357 -0.464 50 20 CBGD CCC(COC)=NNC(=O)[C@H](C)NS(C)(=O)=O 735971421 DJAHEPLWNPUDCG-ZETCQYMHSA-N 265.335 -0.547 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)[C@H]1C[C@@H]1C(=O)O 739401400 AXLGBDXFYPEOTM-IMJSIDKUSA-N 269.179 -0.400 50 20 CBGD CC(C)CN1C[C@H](C(=O)NNC(=O)N(C)C)CC1=O 746001645 QXMWSWQACSMQQL-SECBINFHSA-N 270.333 -0.207 50 20 CBGD COc1ccc(C(=O)C(=O)NNC(=O)CO)cc1Cl 761165936 IERQSLLZGKVKCB-UHFFFAOYSA-N 286.671 -0.329 50 20 CBGD C[C@@H]1CC(=NNC(=O)CN2CCCC2=O)CN1C 761805053 LVZQHVFHOOOEIY-SECBINFHSA-N 252.318 -0.195 50 20 CBGD CCC[C@@H]1C(=O)NCCN1CC(=O)NNC(=O)C1CC1 766256615 KIXUUFPAKCVEPF-SNVBAGLBSA-N 282.344 -0.856 50 20 CBGD N#CCC(=O)NNC(=O)Cc1cn2ccccc2n1 773237845 YFELOQHOJLHYSZ-UHFFFAOYSA-N 257.253 -0.062 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc2c(c1)OCO2 777922573 FJFUYECTZLLITG-UHFFFAOYSA-N 273.270 -0.462 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)CC1(N(C)C)CCC1 782643043 DUZJHUFHPGYAPF-UHFFFAOYSA-N 282.388 -0.040 50 20 CBGD CC#CC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 801103475 GPZHHEGFPGXLEQ-UHFFFAOYSA-N 284.275 -0.282 50 20 CBGD O=C(CO)NNC(=O)c1cc(=O)c2ccc(F)cc2o1 807196580 XGHZTOUNPHALHJ-UHFFFAOYSA-N 280.211 -0.315 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ncccn2)CC1 807380607 KMAKWQCUNVRITR-UHFFFAOYSA-N 264.289 -0.922 50 20 CBGD CS(=O)(=O)C1(C(=O)NNC(=O)CC2CC2)CCC1 819140967 SXOFAGNPAQXKIV-UHFFFAOYSA-N 274.342 -0.099 50 20 CBGD COC[C@H](OC)C(=O)NNc1nccc(OC)n1 821485958 OJWQYLIQNQDPBG-ZETCQYMHSA-N 256.262 -0.410 50 20 CBGD CCCCS(=O)(=O)CC(=O)NN(C)C[C@H](C)O 822557676 NPYSVJQOWANOSC-VIFPVBQESA-N 266.363 -0.455 50 20 CBGD O=C(O)[C@@H]1C[C@H]1C(=O)NNc1ncnc2[nH]cnc12 833179079 MBYRTIDLJLOKBG-RFZPGFLSSA-N 262.229 -0.483 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](N)[C@H](CC)C1 843377686 SLJBFAKYCJEKTI-AXFHLTTASA-N 270.377 -0.009 50 20 CBGD CNC(=S)N(C)NC(=O)c1c(C)nn(C)c1OC 854923952 NTOBYPYNKPWFFQ-UHFFFAOYSA-N 271.346 -0.182 50 20 CBGD CO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1cn[nH]c1 858517776 VVGGTCZUUJWZRG-RKDXNWHRSA-N 267.289 -0.079 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 862449301 DVALJMDQMFNWOV-SECBINFHSA-N 262.269 -0.570 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2Cc3ccccc32)N1 862455967 TVDJZPFTWMOOGW-MNOVXSKESA-N 273.292 -0.248 50 20 CBGD CCCC1(C(=O)NNC(=O)CS(C)(=O)=O)CC1 863462771 XFDXBGPWEVFXRM-UHFFFAOYSA-N 262.331 -0.241 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 863865142 KWZAREVIZGQSFO-UONOGXRCSA-N 297.355 -0.183 50 20 CBGD COCCOCC(=O)NNC(=O)C1(C(=O)C2CC2)CC1 869905823 RSWKAJJNYHAMHH-UHFFFAOYSA-N 284.312 -0.444 50 20 CBGD COCCOCC(=O)NNC(=O)C1[C@@H]2CCC[C@@H]12 869910596 VIKYOYPYEGMZEX-RKDXNWHRSA-N 256.302 -0.157 50 20 CBGD CO[C@@H]1CN(CC(=O)NNC(=O)c2cccs2)CCO1 878967264 OAGVQXXUBXCYAQ-NSHDSACASA-N 299.352 -0.186 50 20 CBGD COCCOc1cccc(C=NNC(=O)C(N)=O)c1 917532596 UHQREFNXIQCPEF-UHFFFAOYSA-N 265.269 -0.353 50 20 CBGD CCO/C=C(\C#N)C(=O)N1C[C@@H](CO)[C@H](CO)C1 1301427331 QLCXYKIVFYFQJS-WRSFFWLLSA-N 254.286 -0.510 50 20 CBGD O=C(CO[C@@H]1CCOC1)NNC(=O)c1ccccn1 1319056346 WBMGEYRVXDEGPP-SECBINFHSA-N 265.269 -0.352 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNc1nncc(N)c1Cl 1319778095 WDUYOEKNQCXENA-SCSAIBSYSA-N 272.696 -0.320 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cncc(C)c1 1320241177 OEQQHCLHQYIAGE-UHFFFAOYSA-N 266.257 -0.878 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cnc(CC)nc1 1320604666 AVYSBTIHLSQYCR-UHFFFAOYSA-N 294.315 -0.330 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(Cl)cn1 1322103250 DWCNCNIQQYLMGT-UHFFFAOYSA-N 286.675 -0.533 50 20 CBGD CNC(=O)[C@H](C)NC(=O)NNC(=O)c1cccc(C)n1 1324161856 CHYUCIXHANTSKU-QMMMGPOBSA-N 279.300 -0.531 50 20 CBGD CS/C=C/C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1331365579 WLMIYBHTERTJLN-NUOXCJHRSA-N 293.370 -0.619 50 20 CBGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NN=c1cc[nH]cc1 1342028892 JESOQVIERWDBPL-UHFFFAOYSA-N 298.306 -0.166 50 20 CBGD C[C@@H](N)c1nc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cs1 1576176131 SDRSJPHLCHPIAF-PHDIDXHHSA-N 297.340 -0.798 50 20 CBGD CN(C)[C@H]1CCC[C@@H](C(=O)NNC(=O)CCN)C1 1578410280 FQVHKMDQHGKHOS-ZJUUUORDSA-N 256.350 -0.397 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCCC[C@H]2N)cn1 1579953374 WLYSLOCRBMPYKD-VHSXEESVSA-N 265.317 -0.301 50 20 CBGD NCCNC(=O)NNC(=O)C[C@H]1Cc2ccccc2O1 1580311546 ZFLJGZCXAJSHEC-SNVBAGLBSA-N 278.312 -0.331 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)CSCC(=O)O)n1 1594666649 SRLPCRBGBWLTLG-UHFFFAOYSA-N 291.720 -0.027 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)cn1 1600932302 MAIAUAAYUBLKCO-JGVFFNPUSA-N 280.284 -0.318 50 20 CBGD NS(=O)(=O)c1cc(C=NNC(=O)C(=O)O)ccc1F 1601196880 XARUUYJPNUPJRD-UHFFFAOYSA-N 289.244 -0.992 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1603566581 PRIQDXQFZMBIKY-ZCFIWIBFSA-N 265.277 -0.848 50 20 CBGD CN1CCO[C@@H](C(=O)NNc2ccc(C(=O)O)cn2)C1 1606249115 GJMHWFHVNVKCPC-SECBINFHSA-N 280.284 -0.447 50 20 CBGD O=C(O)Cn1cc(C(=O)NNC(=O)[C@H]2CCCS2)nn1 1606330577 JXKRDYHXCZHZJK-SSDOTTSWSA-N 299.312 -0.981 50 20 CBGD COC(OC)C(=O)NNc1ccc(C(=O)O)cn1 1606683751 AEDPXESZKORVHV-UHFFFAOYSA-N 255.230 -0.158 50 20 CBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)N1CCOCC1 1609886765 UOQYNLZGJMWAAA-SSDOTTSWSA-N 259.262 -0.830 50 20 CBGD COc1ncc(C=NNC(=O)NCC(=O)O)s1 1610371113 QNCLBGGDTIEJPT-UHFFFAOYSA-N 258.259 -0.131 50 20 CBGD COc1ccc(C(=O)O)cc1C=NNC(=O)C(N)=O 1776015649 HAFKINCLSJDWQP-UHFFFAOYSA-N 265.225 -0.671 50 20 CBGD C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793112275 BFQCTYLOGFXHIK-VLEAKVRGSA-N 284.743 -0.143 50 20 CBGD O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)C(O)O)C1 1841235506 YFOKGKMDCBVIPN-LURJTMIESA-N 280.683 -0.965 50 20 CBGD CCCC(=O)N1CCC[C@H](C(=O)NNC(=O)NC)C1 48950858 FRPUHFGBELCEGE-VIFPVBQESA-N 270.333 -0.015 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2ncccc2O)[nH]n1 151200387 GPBYLJVQHAUZCJ-UHFFFAOYSA-N 261.241 -0.106 50 20 CBGD O=C(CN1CC[C@@H](O)C1)NNC(=O)c1ccc(F)cc1 152424143 RDDFOJRFDWMFTG-LLVKDONJSA-N 281.287 -0.347 50 20 CBGD O=C(CO)NNC(=O)c1c[nH]nc1-c1ccsc1 189795164 PPRGCXDWSYHHFO-UHFFFAOYSA-N 266.282 -0.109 50 20 CBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1nc2ccccn2n1 191928115 VNILEZAZDFQNNN-JGVFFNPUSA-N 275.268 -0.019 50 20 CBGD Cc1ccc(NNC(=O)N[C@H]2C(=O)NCC[C@H]2C)nn1 194003291 QPTOKMPEZPJPRB-GMSGAONNSA-N 278.316 -0.064 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1cccn1C 267223993 VHGCFFKWSVQRTC-JTQLQIEISA-N 298.343 -0.093 50 20 CBGD CO[C@H](C(=O)NNC(=O)c1cnn(C)c1)C1CC1 280296183 FKRBJWWEPCPCHE-VIFPVBQESA-N 252.274 -0.394 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@@H](C)O1 584924220 RTKXEOKUHLZQFC-AOOOYVTPSA-N 263.102 -0.384 50 20 CBGD CN(C)[C@@H](CNC(=O)c1ccc(B(O)O)c(F)c1)C1CC1 584933284 YWDWSVSYTMQGAJ-ZDUSSCGKSA-N 294.135 -0.425 50 20 CBGD CCN(CCC#N)C(=O)c1cc(B(O)O)ccc1F 584934921 ZTIHISXAMVHARM-UHFFFAOYSA-N 264.065 -0.119 50 20 CBGD CC(C)CC[C@@H](CO)NC(=O)c1ccc(B(O)O)cc1 585010548 UITJYHJBUSGLDR-ZDUSSCGKSA-N 279.145 -0.107 50 20 CBGD CC(C)(CO)CCCNCc1ccc(B(O)O)o1 585025424 UDHFFOAZOOXEMA-UHFFFAOYSA-N 255.123 -0.152 50 20 CBGD C[C@H](CO)CCCNCc1ccc(B(O)O)cc1 585035802 YCQDRVUCQCTHNY-NSHDSACASA-N 251.135 -0.135 50 20 CBGD OC[C@@H](CNCc1ccccc1B(O)O)[C@H]1CCOC1 585039040 MSXNALWYCDSUCH-QWHCGFSZSA-N 279.145 -0.899 50 20 CBGD O=C(CCCn1cnc2ccccc21)NCB(O)O 585061440 SHHCARKTOPUXAE-UHFFFAOYSA-N 261.090 -0.055 50 20 CBGD Cc1ccc(C(=O)NCB(O)O)cc1N1CCOCC1 585065365 COECJLWNMVDIIW-UHFFFAOYSA-N 278.117 -0.427 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCSCC1 728436435 OREIJONUWSUTRE-SSDOTTSWSA-N 279.387 -0.077 50 20 CBGD CC(=O)NCC(=O)NCC(=O)NNc1ncccc1Cl 734246851 YHLNFBHZHRWODQ-UHFFFAOYSA-N 299.718 -0.570 50 20 CBGD CN(CC(=O)NNC(=O)Cc1cccnc1)C(=O)O 737392864 CBHZRKGJRNZKSE-UHFFFAOYSA-N 266.257 -0.619 50 20 CBGD C[C@H](C(=O)NNc1ccnc(N(C)C)n1)n1cncn1 740112863 RJVTWWWUBDHDDC-MRVPVSSYSA-N 276.304 -0.162 50 20 CBGD C[C@H]1OCCC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 747754366 XAYXRFDAIJVQHQ-HTQZYQBOSA-N 275.330 -0.363 50 20 CBGD Cc1ccc(C(=O)NNS(=O)(=O)c2cn[nH]c2)o1 748011185 LSDCGCQWMMLZRC-UHFFFAOYSA-N 270.270 -0.066 50 20 CBGD Cc1ncsc1C(=O)NNC(=O)C(=O)N1CCCC1 748240407 VMYMIMWBLQIIKV-UHFFFAOYSA-N 282.325 -0.165 50 20 CBGD CC(C)(C)C(=O)NNC(=O)c1cc(C(N)=O)c[nH]1 749350095 SDBOGQMFYQDOHX-UHFFFAOYSA-N 252.274 -0.079 50 20 CBGD C[C@@H](CC(=O)NNC(=O)CO)NC(=O)c1ccccc1 753443087 RRIRJEODCBMGIN-VIFPVBQESA-N 279.296 -0.665 50 20 CBGD NC(=O)c1cc(C(=O)NNC(=O)c2cccnc2)co1 759379350 KDGQPWSYJBXBAL-UHFFFAOYSA-N 274.236 -0.152 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)N1CCC[C@H](C)C1 767888838 XXQMXHITFANGQM-QMMMGPOBSA-N 293.327 -0.262 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccnc(C2CC2)n1 768246805 ZSKAIWXMJMJVOE-UHFFFAOYSA-N 264.285 -0.114 50 20 CBGD CCO[C@@H](C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC 772010860 PLEKPFSKOSXTCM-YUMQZZPRSA-N 260.290 -0.100 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(=O)n(C)c1 772014247 VCIYWFWBJAIPAF-MRVPVSSYSA-N 295.295 -0.512 50 20 CBGD COC(=O)[C@@H](C)CN(CC(=O)NNC(=O)C1CC1)C1CC1 772728487 HQRSBMSPDADOIM-VIFPVBQESA-N 297.355 -0.183 50 20 CBGD Cn1cc(C(=O)NNC(=O)Cc2ccccc2CO)cn1 779780814 IXYXQRPLHQXVCO-UHFFFAOYSA-N 288.307 -0.084 50 20 CBGD CN1CCN(C(=O)NNC(=O)Cc2ccc(O)cc2)CC1 807382477 JCCIYHSFDHOFHG-UHFFFAOYSA-N 292.339 -0.077 50 20 CBGD CCN(CCO)NC(=O)c1nc2nccc(C)n2n1 823841115 CLHNDGFVFJVIDV-UHFFFAOYSA-N 264.289 -0.608 50 20 CBGD CCCN1C[C@@H](C(=O)NN(C)[C@@H](C)CO)CC1=O 823917018 CWAXNHCPVQYCGG-UWVGGRQHSA-N 257.334 -0.411 50 20 CBGD C[C@@H](NC(N)=O)C(=O)NNc1cccc(-c2nn[nH]n2)c1 824538411 IWXDXBZSCGJMFF-ZCFIWIBFSA-N 290.287 -0.633 50 20 CBGD CC(C)(CC(=O)O)CC(=O)NNC(=O)[C@H]1COCCO1 833454859 WFJCDPHVRQAMAY-MRVPVSSYSA-N 288.300 -0.560 50 20 CBGD COc1cncc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1 843655708 KUTNRQMNONUOAR-YUMQZZPRSA-N 280.284 -0.329 50 20 CBGD CC(C)Cn1nccc1C(=O)NNC(=O)C(=O)NC(C)C 843755723 QDEPTVLQKNRINN-UHFFFAOYSA-N 295.343 -0.175 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cn(C)cn1 843977803 IIIJMVDODVGICX-SFYZADRCSA-N 252.274 -0.394 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCCn1cncn1 843980982 ZCCCHGUFVWWKCW-VHSXEESVSA-N 281.316 -0.369 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CC[C@H]2C(N)=O)c1 847441541 ZMJSWWVCUUPBPT-GHMZBOCLSA-N 286.291 -0.169 50 20 CBGD CC[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 858616877 QPHXTJZEBORQFQ-IUCAKERBSA-N 268.317 -0.216 50 20 CBGD COC[C@H]1CCCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 858702042 WSPKLVMFVSRBBZ-RKDXNWHRSA-N 284.316 -0.883 50 20 CBGD CSCC1(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 862463780 LSMRTXAROFOUTC-QMMMGPOBSA-N 285.369 -0.054 50 20 CBGD CC1=C(C(=O)NNC(=O)c2cn[nH]c2)C(=O)OC1(C)C 862474527 NRGFRBWDRPQAFP-UHFFFAOYSA-N 278.268 -0.177 50 20 CBGD CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862992713 HCFVFTALMZNZKX-RKDXNWHRSA-N 282.344 -0.715 50 20 CBGD COCCOCC(=O)NNC(=O)COCC(F)(F)F 869907656 OZTFWTAFBJEUQT-UHFFFAOYSA-N 288.222 -0.624 50 20 CBGD COc1ccc(CC(=O)NNC(=O)CN(C)C)cc1O 878681038 CWKJIXLSHORTAM-UHFFFAOYSA-N 281.312 -0.348 50 20 CBGD CC[C@H](O)[C@H](C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 911503454 UNBCEDJQYOYHII-XKNYDFJKSA-N 258.318 -0.034 50 20 CBGD CNC(=O)NNC(=O)[C@@](C)(O)c1ccc(F)cc1 930583995 DBCDURJOIWWHQO-NSHDSACASA-N 255.249 -0.007 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cn(C)nc1C 1116119028 DBEZUVFPNCIENZ-UHFFFAOYSA-N 295.343 -0.206 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ncc[nH]1 1118278998 CLFSFEKVZHIWMH-DTWKUNHWSA-N 266.301 -0.085 50 20 CBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNc1ncncc1F 1118316723 JARPCXRKFZIYNR-NTSWFWBYSA-N 253.237 -0.430 50 20 CBGD NC(=O)COc1cccc(C(=O)N2CC[C@H](B(O)O)C2)c1 1118916838 XHSCKBQJRUDYLM-JTQLQIEISA-N 292.100 -0.760 50 20 CBGD Cc1c[nH]cc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1251140948 HBFYRBBQCYIGOV-QMMMGPOBSA-N 285.325 -0.481 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccc(C#N)cc1OC 1320391330 GFRCXENQPUKRJK-UHFFFAOYSA-N 292.251 -0.107 50 20 CBGD CC(C)OCC(=O)NNC(=O)C(=O)Nc1ccccn1 1323813847 NPXBWGMDUJFYIV-UHFFFAOYSA-N 280.284 -0.408 50 20 CBGD Cc1cc(OCC(=O)N2CC[C@@H](B(O)O)C2)no1 1329291151 AXJPEUKOLWUJNH-MRVPVSSYSA-N 254.051 -0.563 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCCNC2=O)cc1 1333680383 SZSDQFYRZKGYOV-NSHDSACASA-N 291.307 -0.018 50 20 CBGD C[S@@](=O)CCNC(=O)NNC(=O)Cc1cccnc1 1339173475 OTALNCXRABPGIQ-LJQANCHMSA-N 284.341 -0.667 50 20 CBGD CNC(=O)NCCC(=O)NNc1nncc(N)c1Cl 1343948682 ZRHNQNGIJJLLAN-UHFFFAOYSA-N 287.711 -0.526 50 20 CBGD C=C(CO)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1347527287 FXMYQGDILIOULS-SECBINFHSA-N 262.331 -0.973 50 20 CBGD C[C@H](CC(F)(F)F)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1348111198 SXHVUXNKSPSCPN-RITPCOANSA-N 296.249 -0.064 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCN[C@@H]([C@@H]2CCCO2)C1 1575378109 JGKMUYOQLFOUHU-MXWKQRLJSA-N 299.371 -0.548 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cnc(C(=O)O)cn1 1593456467 HCNVEKCEFIOANO-ZCFIWIBFSA-N 254.246 -0.868 50 20 CBGD CNC(=S)N(C)NC(=O)c1cncc(C(=O)O)c1 1598662489 ZYVPMJHDJMCZLF-UHFFFAOYSA-N 268.298 -0.139 50 20 CBGD O=C(CCO)NNC(=O)Nc1cccc(-c2nn[nH]n2)c1 1609524517 XNBFIKLWUMJTGM-UHFFFAOYSA-N 291.271 -0.598 50 20 CBGD CC(=O)NNS(=O)(=O)c1cc(C(=O)O)c(F)cc1F 1609622259 KIKNCPMURRAMQZ-UHFFFAOYSA-N 294.235 -0.008 50 20 CBGD CC(=O)NNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 48823376 XJBWJHJAHVMQDI-UHFFFAOYSA-N 295.320 -0.360 50 20 CBGD CCN1C[C@H](C(=O)NNC(=O)c2ccc[nH]2)CC1=O 122587334 FDPUKTQSKKCMJG-MRVPVSSYSA-N 264.285 -0.356 50 20 CBGD C/C=C/C=C/C(=O)NNC(=O)C(=O)N1CCCC1 132301987 UVVCAFVHHGNRPP-AOGGBPEJSA-N 251.286 -0.112 50 20 CBGD CC(C)(O)C(=O)NNC(=O)COc1ccccc1 190062609 IHORVLFUJCVIEP-UHFFFAOYSA-N 252.270 -0.016 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]32)[nH]n1 290607066 VWEWCRGKXGKYMB-IQJOONFLSA-N 294.311 -0.469 50 20 CBGD CC(C)CC(=O)NNC(=O)CN1CSCC1=O 298109454 YQZBZIIPTKICBS-UHFFFAOYSA-N 259.331 -0.287 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNc1nc(C)cc(OC)n1 367643376 IQQDJYCHQAGJKB-SNVBAGLBSA-N 295.343 -0.043 50 20 CBGD O=C(CCc1ccccc1)NNC(=O)[C@H]1COCCN1 367708134 NXXYXDFRJUURKT-GFCCVEGCSA-N 277.324 -0.245 50 20 CBGD CCOC(=O)NCC(=O)NNc1cc(C)ncn1 491498092 DOIKSJHQBJVSHZ-UHFFFAOYSA-N 253.262 -0.026 50 20 CBGD CN1CCC[C@@H](CNC(=O)c2cccc(B(O)O)c2)C1 584944835 SKCHOXWOMNYLBJ-NSHDSACASA-N 276.145 -0.562 50 20 CBGD CC[C@@H](CCO)NC(=O)c1cccc(B(O)O)c1 584962764 KOIHHUDLVLXGDR-NSHDSACASA-N 251.091 -0.743 50 20 CBGD CS[C@@H](C)CNC(=O)c1cccc(B(O)O)c1 584965895 UBCUKTYQMAPKKS-QMMMGPOBSA-N 253.132 -0.152 50 20 CBGD C[C@@H](CN(C)C)NC(=O)c1ccc(B(O)O)cc1 584990237 SEPSTIUAYQRDPH-VIFPVBQESA-N 250.107 -0.954 50 20 CBGD COC[C@@H](C)[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F 584993205 XMTFZDWZTHVZPE-RKDXNWHRSA-N 283.108 -0.094 50 20 CBGD COCCOCCNCc1ccc(B(O)O)cc1 585017818 AQQSZODGLXCIOM-UHFFFAOYSA-N 253.107 -0.881 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)cc1)[C@@H](C)n1cncn1 585019520 CISUCWTZHIUVHE-GHMZBOCLSA-N 274.133 -0.303 50 20 CBGD COCCN1CCC(NCc2cccc(B(O)O)c2)CC1 585019770 RJVCWSXQZFEYOC-UHFFFAOYSA-N 292.188 -0.433 50 20 CBGD CC(=O)N[C@H](CC(=O)NCB(O)O)c1ccc(C)cc1 585058282 WOWVNJPQMPPTNT-GFCCVEGCSA-N 278.117 -0.309 50 20 CBGD O=C(C[C@@H]1CCOC1)NNC(=O)N1CCOCC1 739713871 WDPILKOSNMLUAU-VIFPVBQESA-N 257.290 -0.514 50 20 CBGD CCC(=NNC(=O)C(N)=O)c1c(C)nn(C)c1C 741836938 GNLUMKXXBFNNBF-UHFFFAOYSA-N 251.290 -0.247 50 20 CBGD COCCn1cc(C=NNC(=O)N2CCOCC2)cn1 743436599 LSFPRIRACVQXSK-UHFFFAOYSA-N 281.316 -0.095 50 20 CBGD CCN(CC)[C@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 744423211 FQPYCPYYVVARNW-LBPRGKRZSA-N 282.388 -0.040 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)NCC2CC2)C1 746166721 GFURIGXNTOMCAK-VIFPVBQESA-N 256.306 -0.943 50 20 CBGD CCS(=O)(=O)CC(C)=NNC(=O)[C@H](C)OCCOC 748260757 XRNVDWBNVGVIKD-JTQLQIEISA-N 294.373 -0.035 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@](C)(O)C1 748832469 KFWRHNJKVCYYIS-LBPRGKRZSA-N 257.334 -0.363 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@@H]2CCNC(=O)C2)n1 754468891 WZLOGBGTVJUWPZ-MRVPVSSYSA-N 278.316 -0.488 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C(C)(C)O 756842260 KTHGIDOYIRCIJU-UHFFFAOYSA-N 259.306 -0.791 50 20 CBGD Cn1[nH]cnc1=NC(=O)NNC(=O)c1ccccn1 757762756 WHRYQBPLNSEYJR-UHFFFAOYSA-N 261.245 -0.902 50 20 CBGD CC(C)(C(N)=O)C(=O)NNC(=O)COc1ccccc1F 767415599 RZHBVFABHBUSLZ-UHFFFAOYSA-N 297.286 -0.137 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 768245611 CSSFBULIBGZBBH-QMMMGPOBSA-N 285.344 -0.448 50 20 CBGD COC(=O)CNC(=O)NN=Cc1ccc2c(c1)nnn2C 779822197 AZTSUKQPIGWEGA-UHFFFAOYSA-N 290.283 -0.226 50 20 CBGD CC(C)(O)C(=O)NNC(=O)COC[C@@H]1CCCO1 787952803 CNCPAKCYDPQJMV-QMMMGPOBSA-N 260.290 -0.900 50 20 CBGD CN(NC(=O)CCC(=O)c1cnn(C)c1)C(N)=O 793754709 YJGQLMDUUCAUCZ-UHFFFAOYSA-N 253.262 -0.575 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)Cn1cccn1 807369239 TWYLDVFTQITVCW-UHFFFAOYSA-N 284.316 -0.180 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H]1CCCN1C=O 823763113 PDYSPAFKNCAAKQ-SECBINFHSA-N 256.306 -0.262 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 823907590 NKEUCNHXALSZLB-VHSXEESVSA-N 295.343 -0.883 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CCCCN1C1CCCC1 827893732 IKODUIRGSSDVJT-NSHDSACASA-N 269.345 -0.077 50 20 CBGD C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCN(C)CC1 830240759 NTLQEIWQLXUOLR-MNOVXSKESA-N 282.344 -0.434 50 20 CBGD COc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)nn1C 843661356 ZBTQJIMTHWNOLS-HTQZYQBOSA-N 282.300 -0.385 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)C2)n[nH]1 843843288 WNTHGXYXWWXSJC-SSDOTTSWSA-N 250.258 -0.152 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NCCN1CCCC1=O 845475991 LCCWTSPDYLCLRT-UHFFFAOYSA-N 270.333 -0.015 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cccc2nc(O)[nH]c12 847856957 YEIFLYCACPOXTC-UHFFFAOYSA-N 278.268 -0.200 50 20 CBGD COC/C=C/C(=O)NNC(=O)N1CCN(C)CC1 854378991 KOTICMZUUFNICU-ONEGZZNKSA-N 256.306 -0.823 50 20 CBGD C[C@H](NC(=S)NNC(=O)c1nccnc1N)C1CC1 855100450 BYGVAEPSWDDDCN-LURJTMIESA-N 280.357 -0.034 50 20 CBGD CCO[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)C1CC1 859252366 LVKGJBGVAMBDTD-LLVKDONJSA-N 266.301 -0.085 50 20 CBGD C[C@H](OCC1CC1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862453662 LXZMEGPAIXYVRK-IONNQARKSA-N 269.301 -0.773 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccn1 862458788 JHUJRELHIWDRAA-VIFPVBQESA-N 262.269 -0.570 50 20 CBGD CC[C@H](C)CC[C@@H](O)CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862460023 YTZURGWMEUVQQB-AXFHLTTASA-N 299.371 -0.010 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 863467492 YVEMEDAHAFJSJC-KXUCPTDWSA-N 286.353 -0.219 50 20 CBGD COCOCCCNC(=O)c1cc(B(O)O)ccc1F 863884065 XHLRCXKCGNFUPZ-UHFFFAOYSA-N 285.080 -0.754 50 20 CBGD O=C(CNC(=O)N1CCCC1)NNC(=O)[C@H]1CCCCO1 908517385 JWGFLNOZLBBKJL-SNVBAGLBSA-N 298.343 -0.492 50 20 CBGD CCCN1C[C@H](C(=O)NN(C)C[C@@H](C)O)CC1=O 910145935 GHPDTVTYQYGIKW-NXEZZACHSA-N 257.334 -0.411 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cnc2c(c1)nnn2C 910152749 ULMDLHCJHMASAM-ZETCQYMHSA-N 264.289 -0.679 50 20 CBGD O=C(CNC(=O)C1CC1)NNC(=O)c1ccc[nH]1 914857592 IMUPCVWTCNLSBB-UHFFFAOYSA-N 250.258 -0.698 50 20 CBGD CCN1C(=O)C(=NNC(=O)C(N)=O)c2cc(C)ccc21 917023172 FNJDZSUOMYTQIM-UHFFFAOYSA-N 274.280 -0.333 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc2c(c1)C(=O)NCCO2 931119613 QQXQRZOJJHTUBH-UHFFFAOYSA-N 292.295 -0.275 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N[C@@H]1C(=O)NCC1(C)C 931659359 WXWLLPWUXDXJJH-GXSJLCMTSA-N 298.387 -0.317 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=S)Nc2ccccn2)C1=O 1119057755 VOFDXAMMAPUODA-QMMMGPOBSA-N 293.352 -0.123 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ncccn1 1119592846 LTNGWUINGQNUJZ-UHFFFAOYSA-N 279.300 -0.458 50 20 CBGD O=C(NNC(=O)[C@]1(F)CCOC1)c1ccccn1 1258436999 MMQDQVULLMWABF-NSHDSACASA-N 253.233 -0.029 50 20 CBGD CC(C)CS(=O)(=O)CC(=O)NNC(=S)NC(C)C 1319026492 WZTDKUZPFULGEN-UHFFFAOYSA-N 295.430 -0.039 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1CCCN1C(N)=O 1322267417 NPFNEOOKCHIXKA-ZETCQYMHSA-N 273.362 -0.567 50 20 CBGD C[C@H](C(=O)NNc1nccn(C)c1=O)c1cnn(C)c1 1322348235 AWJVZVJJRBJNIO-QMMMGPOBSA-N 276.300 -0.239 50 20 CBGD O=C(NNc1nc[nH]n1)c1cccnc1N1CCOCC1 1324276150 LHMDOUBXOPKUMB-UHFFFAOYSA-N 289.299 -0.207 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CCc2nncn2C1 1324884558 WPQZXPPVFYQPLJ-MRVPVSSYSA-N 280.357 -0.478 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)C1 1326370914 MHSCMLMTNQFIDP-MRVPVSSYSA-N 267.285 -0.875 50 20 CBGD Cc1nc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)ccc1C#N 1329645339 WKAYUWKQMLBREX-SNVBAGLBSA-N 287.279 -0.699 50 20 CBGD Cc1cocc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1330963561 DPQGLEZBGQIUJL-MRVPVSSYSA-N 251.242 -0.372 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCSC2)N1 1331519451 JVMZCPUMWVSWQB-RNFRBKRXSA-N 272.330 -0.899 50 20 CBGD CS(=O)(=O)C1(C(=O)N2CC[C@@H](B(O)O)C2)CCC1 1331827566 QKUPQHAHXZHUDF-MRVPVSSYSA-N 275.135 -0.971 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CC12CCOCC2 1332195924 LNDWYOQPVXODMP-JTQLQIEISA-N 295.339 -0.427 50 20 CBGD CCOC(Cn1ncc(C(=O)NNC(C)=O)c1N)OCC 1344739407 ADMLSUKPILIERB-UHFFFAOYSA-N 299.331 -0.355 50 20 CBGD Cn1ncc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c1N 1549319622 IFDLMGFKLBAMCC-GHMZBOCLSA-N 292.343 -0.684 50 20 CBGD COc1ccc(NC(=S)NNC(=O)[C@@H](C)N)cn1 1579227924 JHPWBBRLDWYLDU-ZCFIWIBFSA-N 269.330 -0.245 50 20 CBGD CC(C)(C(=O)O)C(=O)NNC(=O)Cc1ccccn1 1588618359 DXFFBJZVSGYAQD-UHFFFAOYSA-N 265.269 -0.118 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@]1(C(=O)O)CC=CCC1 1588923257 OBUSEIKEXLQGMK-ZDUSSCGKSA-N 297.311 -0.531 50 20 CBGD CNC(=S)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1591216384 ZXYNSQBCQCNCHA-UHFFFAOYSA-N 277.313 -0.395 50 20 CBGD O=C(NCC1(C(=O)O)CC1)NNC(=O)[C@H]1CCCCO1 1601469014 LDNZYOBKKSKFCR-MRVPVSSYSA-N 285.300 -0.249 50 20 CBGD O=C(NCCc1ccccn1)NNC(=O)C(=O)O 1601514660 FJTMCAOFPBIXJR-UHFFFAOYSA-N 252.230 -0.961 50 20 CBGD O=C(CN1CSCC1=O)NNc1ccc(C(=O)O)cn1 1610664305 XBSZGKMOZQBTQI-UHFFFAOYSA-N 296.308 -0.244 50 20 CBGD O=C(O)C[C@H]1CCCN1CC(=O)NNC(=O)C1CC1 1610763018 NIMPWWXUAUWRIC-SECBINFHSA-N 269.301 -0.517 50 20 CBGD CCO[C@H]1C[C@H]1C(=O)NN=Cc1c(C(=O)O)cnn1C 1776102432 PLNRPZZQKQZFLE-XCBNKYQSSA-N 280.284 -0.007 50 20 CBGD CC(=O)NNC(=O)Cc1csc(N2CCCC2=O)n1 47832959 AUJUONGLFHNNTK-UHFFFAOYSA-N 282.325 -0.020 50 20 CBGD CNC(=O)[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 112981888 GGUFPTSIFFGWHA-SNVBAGLBSA-N 282.344 -0.998 50 20 CBGD Cn1cccc1C(=O)NNC(=O)C1=COCCO1 171011362 AKPOFSBOAFWAJG-UHFFFAOYSA-N 251.242 -0.326 50 20 CBGD COc1ccc(CC(=O)NNC(=O)CN(C)C)cc1 171351904 NBTVIOOITIWBFF-UHFFFAOYSA-N 265.313 -0.053 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@@H]2CCCC(=O)N2)nc1 270381511 PHPDDRJIYHPUFX-VIFPVBQESA-N 292.295 -0.020 50 20 CBGD COC(=O)NNC(=O)[C@@H]1CC(c2cccnc2)=NO1 276803540 MUBHLXRPNZSNGW-VIFPVBQESA-N 264.241 -0.038 50 20 CBGD C[C@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)C(C)(C)O 281506586 GKFVWDLKMKJGTR-SFYZADRCSA-N 256.302 -0.090 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H](NC(N)=O)C(C)(C)C)[nH]n1 282654776 LIYLIJXOBLAKBH-MRVPVSSYSA-N 296.331 -0.438 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2c[nH]c(C#N)c2)CC1 282923314 OBTNSUIBUIRVIL-UHFFFAOYSA-N 276.300 -0.512 50 20 CBGD CCCNC(=O)/C(C#N)=C/c1cn(CC(=O)O)nn1 490783901 VNASDOSHEZFZGP-XBXARRHUSA-N 263.257 -0.204 50 20 CBGD CCO/C=C/C(=O)NNC(=O)C(=O)NC(CC)CC 493108763 SWNSSOZIFQFEPS-BQYQJAHWSA-N 271.317 -0.011 50 20 CBGD CCn1cc(S(=O)(=O)NNC(=O)OC)c([N+](=O)[O-])n1 494106154 FLIJRBWTONPJNY-UHFFFAOYSA-N 293.261 -0.640 50 20 CBGD O=C(C[C@H]1CCCCC(=O)N1)Nc1cccc(B(O)O)c1 584912426 FKYAGUVHXDROTK-GFCCVEGCSA-N 290.128 -0.246 50 20 CBGD COCCN(CCOC)C(=O)c1ccc(B(O)O)cc1 584923085 CPCGECRJGWTCJE-UHFFFAOYSA-N 281.117 -0.899 50 20 CBGD CC[C@H](CN1CCCC1)NC(=O)c1ccc(B(O)O)cc1 584951791 PAIKALSOGSZQGJ-CQSZACIVSA-N 290.172 -0.029 50 20 CBGD CCC[C@H]1C(=O)NCCN1C(=O)c1ccc(B(O)O)cc1 584967656 AGBQLBLBIUBSBF-LBPRGKRZSA-N 290.128 -0.893 50 20 CBGD C[C@@H](CN1CCOCC1)NCc1ccc(B(O)O)cc1 585016262 URLNYQPEXTVZAY-LBPRGKRZSA-N 278.161 -0.823 50 20 CBGD OB(O)c1ccc(CNC[C@H](O)COCC2CC2)cc1 585020297 RRJWWZQEVZBBRU-AWEZNQCLSA-N 279.145 -0.757 50 20 CBGD CC(C)N(C)CCNCc1ccc(B(O)O)cc1 585020598 CPYQKQJMPLDYKT-UHFFFAOYSA-N 250.151 -0.204 50 20 CBGD OB(O)c1ccccc1CNCC1(N2CCOCC2)CC1 585039141 OUWRLSNOTUFPMJ-UHFFFAOYSA-N 290.172 -0.679 50 20 CBGD CCOCC(=O)NNC(=O)NCc1ccc(OC)nc1 731280231 OHYSCVOENTUBEG-UHFFFAOYSA-N 282.300 -0.043 50 20 CBGD Cn1cc(C=NNC(=O)C2CCC2)c(=O)n(C)c1=O 731936024 FONZLKFYVTWUPJ-UHFFFAOYSA-N 264.285 -0.666 50 20 CBGD COCCCNC(=O)NNC(=O)COCCOC 733139690 OXCOTCBTJHNISU-UHFFFAOYSA-N 263.294 -0.984 50 20 CBGD O=C(NNC(=O)c1ccon1)c1cccc(-c2nn[nH]n2)c1 738134739 RUGWBFXFFCEWIF-UHFFFAOYSA-N 299.250 -0.071 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(C)nc1N(C)C 763440394 CDFHKNCJKFOZFA-UHFFFAOYSA-N 293.327 -0.048 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1ccc2ccccc2c1 764421531 LCAONBJQMLRZFL-UHFFFAOYSA-N 287.275 -0.082 50 20 CBGD CCNC(=O)NNC(=O)Cn1ccc(C)cc1=O 772146588 UHJVRFLOZRDJBT-UHFFFAOYSA-N 252.274 -0.493 50 20 CBGD CN(C)CCOCCNC(=O)NNc1ncccn1 788017334 JQOZTUUCIHEOTA-UHFFFAOYSA-N 268.321 -0.319 50 20 CBGD COc1cc(C(=O)NNC(=O)N2CCN(C)CC2)on1 788169090 IJLFBFGVDNXVJX-UHFFFAOYSA-N 283.288 -0.715 50 20 CBGD O=C(CC1OCCO1)NNc1nc2ccccn2n1 793956431 ZQNBORHSNQIECS-UHFFFAOYSA-N 263.257 -0.065 50 20 CBGD CC(C)C(CS(=O)(=O)N(C)C)=NNC(=O)C(C)(C)O 794932331 DXXOCNZRDTWTLN-UHFFFAOYSA-N 293.389 -0.223 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](OC)C1CC1 795827615 GHXVMYZVPRHUAI-OIBJUYFYSA-N 272.301 -0.100 50 20 CBGD C=C[C@@H](NNC(=O)CNC(=O)c1cccs1)C(=O)OC 799977836 NYYMCXFHCOVSFC-MRVPVSSYSA-N 297.336 -0.174 50 20 CBGD Cc1nn[nH]c1C(=O)NNC(=O)N=c1cc[nH]cc1 802030336 ZYVDSBABASGYCL-UHFFFAOYSA-N 261.245 -0.603 50 20 CBGD C=C[C@@H](O)C(=O)OCC(=O)NNC(=O)c1ccccc1 814544672 NDMXMAUWDZOIOJ-SNVBAGLBSA-N 278.264 -0.462 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H]2COC(=O)N[C@H]2C1 830922992 YMWLZHVBOMNVKM-AEJSXWLSSA-N 298.343 -0.637 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843656367 ANHZYDAPNFEXQR-YNFQOJQRSA-N 256.302 -0.016 50 20 CBGD C[C@H](CO)C1CCN(CC(=O)NNC(=O)C2CC2)CC1 844416536 PFTWDVRWLIEDHY-SNVBAGLBSA-N 283.372 -0.116 50 20 CBGD CCOC(=O)NNC(=O)Nc1ccc(=O)n(CC(N)=O)c1 844768671 LKLGYJWCNSUKCH-UHFFFAOYSA-N 297.271 -0.884 50 20 CBGD O=C(Cn1nc2n(c1=O)CCCC2)NNc1cccnn1 845937388 QGDUCKFIXUNIAK-UHFFFAOYSA-N 289.299 -0.686 50 20 CBGD C[C@H]1C[C@H](N)CCN1CC(=O)NNC(=O)C1CC1 846707294 FDCZZDRDKUNFMH-WCBMZHEXSA-N 254.334 -0.645 50 20 CBGD COCCNCCNS(=O)(=O)CBr 850586884 JQRLSJPTHFDQNK-UHFFFAOYSA-N 275.168 -0.506 50 20 CBGD CC(CCO)=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 853388279 BSNCIMHBSBHRSC-MNOVXSKESA-N 255.318 -0.276 50 20 CBGD CCCCOCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858161791 FBRGQZXTQZFMQW-VIFPVBQESA-N 286.332 -0.588 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CC1(C)COC1 859571150 PEMMJMZEHSHKGA-SECBINFHSA-N 257.334 -0.099 50 20 CBGD COc1ccc(O)c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862450782 AYSZJTQKEILPSE-VIFPVBQESA-N 293.279 -0.560 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1cc(C)on1 863186618 FDNKQGAQASASLJ-UHFFFAOYSA-N 259.287 -0.132 50 20 CBGD CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)CS(C)(=O)=O 863465996 KNPBMVHUTKKHSN-IONNQARKSA-N 280.346 -0.761 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CCc2nccn2C1 869904498 ZTAVZIQLFRGNKB-JTQLQIEISA-N 296.327 -0.744 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CC[C@@H]2C[C@H]12 872350552 COWHSWJHBFDCDI-RNJXMRFFSA-N 259.331 -0.174 50 20 CBGD C#CCSCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 892229970 YEAZNNQPBDPXFX-DTWKUNHWSA-N 256.327 -0.075 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CNC(=O)CC(C)(C)C 910167157 CLXWUCXWFXZHSY-SECBINFHSA-N 259.350 -0.117 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cc(N2CCOCC2)ccn1 910180681 YUZPIFNXIZPTTM-NSHDSACASA-N 294.355 -0.124 50 20 CBGD COCCCNC(=O)NNC(=O)Cc1nnc(C)s1 1118636459 QSSITLWZNWJVHC-UHFFFAOYSA-N 287.345 -0.244 50 20 CBGD N#CC1=CCN(C(=O)c2nccnc2C(N)=O)CC1 1137601508 PASRUUWJTIVEMA-UHFFFAOYSA-N 257.253 -0.129 50 20 CBGD Cc1nc(O)nc(S)c1C(=O)NN(C)C[C@H](C)O 1263841907 YOCROJFLFXTXET-YFKPBYRVSA-N 272.330 -0.263 50 20 CBGD CN(C)C(=O)CCNC(=O)NNC(=O)c1ccc[nH]1 1317895007 ZCGJHSURROTRLJ-UHFFFAOYSA-N 267.289 -0.563 50 20 CBGD CC(C)c1cc(C(=O)NNC(=O)C(=O)NC2CC2)on1 1318498397 SRRHDLZDQATSKY-UHFFFAOYSA-N 280.284 -0.162 50 20 CBGD COC(=O)C(=O)NN=C1C(=O)Nc2c(F)cccc21 1319093465 DKOJNAVTUUFKKM-UHFFFAOYSA-N 265.200 -0.229 50 20 CBGD Cn1ccnc(NNC(=O)[C@@H]2CCCOC2)c1=O 1319352882 MRGLBRKKBBEGJD-MRVPVSSYSA-N 252.274 -0.350 50 20 CBGD COCC(=O)NN=C1CCC2(CC1)NC(=O)NC2=O 1319518465 YPWOSZPJDXCJQK-UHFFFAOYSA-N 268.273 -0.743 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)ncn1 1319596467 MFAURNNWJFIYCJ-UHFFFAOYSA-N 277.284 -0.832 50 20 CBGD O=C(CCO)NNC(=O)c1nc2cccnc2s1 1320849688 VCNMAKDPJWYZMY-UHFFFAOYSA-N 266.282 -0.165 50 20 CBGD Cc1cccc(C(=O)NNS(=O)(=O)c2cn[nH]c2)n1 1321102091 YWSOEINTPRMFOH-UHFFFAOYSA-N 281.297 -0.264 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1C[C@]12CCOC2 1323940576 GXTWFDGSDASUAD-PELKAZGASA-N 269.301 -0.915 50 20 CBGD Cc1ncc(C(=O)NNC(=S)NC(C)C)c(N)n1 1328615904 PNNMEJUQPANCLB-UHFFFAOYSA-N 268.346 -0.115 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H]2CCCOCC2)N1 1329189684 ANHNRTIAWMSBFA-BDAKNGLRSA-N 284.316 -0.836 50 20 CBGD Cc1ccncc1CC(=O)NNC(=O)CS(C)(=O)=O 1329586418 CEKIABGLDZKFPX-UHFFFAOYSA-N 285.325 -0.875 50 20 CBGD C=C[C@H](COC)NC(=O)NNC(=O)c1cn[nH]c1 1331299006 YYYDXURFXJOKOG-MRVPVSSYSA-N 253.262 -0.445 50 20 CBGD O=C(NNc1ncncc1F)[C@H]1CCCS1(=O)=O 1332910092 XYSWVQSCHVKQQB-SSDOTTSWSA-N 274.277 -0.364 50 20 CBGD CCCNC(=O)NNC(=O)c1ccc(C(N)=O)cn1 1338130889 HPBNCWNIYNUVKA-UHFFFAOYSA-N 265.273 -0.466 50 20 CBGD CC(C)CNCC(=O)NNC(=O)c1cccnn1 1575606133 IGYRDSIYHWDCLQ-UHFFFAOYSA-N 251.290 -0.517 50 20 CBGD Cc1cncc(CCC(=O)NNC(=O)[C@H]2CCN2)c1 1579825240 WDYQWNNWXNTXNI-LLVKDONJSA-N 262.313 -0.168 50 20 CBGD N[C@H]1C[C@@H](NC(=O)NNC(=O)C2CCOCC2)C1 1580423482 FMQHYUNSCBSRGK-DTORHVGOSA-N 256.306 -0.767 50 20 CBGD CN(C)C(=O)NNC(=O)c1cnc(C(=O)O)cn1 1593687014 PBVWIYZLDKAPKY-UHFFFAOYSA-N 253.218 -0.909 50 20 CBGD COC(=O)NNC(=O)[C@H]1CO[C@H](CCC(=O)O)C1 1593858130 GKWXKJGGEDKDEW-RNFRBKRXSA-N 260.246 -0.357 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1C[C@@H](C(=O)O)C1 1599226553 BBQNBFQQEVZJEE-OCAPTIKFSA-N 273.289 -0.536 50 20 CBGD O=C(O)C(=O)NNC(=S)Nc1ccc2c(c1)OCO2 1601636045 UPJCAMMRJIMWQG-UHFFFAOYSA-N 283.265 -0.183 50 20 CBGD Cn1nncc1NNC(=O)c1ccc(C(=O)O)cn1 1605577118 VVZKGKWLLVPRJD-UHFFFAOYSA-N 262.229 -0.335 50 20 CBGD CCCCNC(=O)NNC(=O)CN(C)S(C)(=O)=O 49143665 GTUBAWPTWRDTHV-UHFFFAOYSA-N 280.350 -0.992 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CCc1ccco1 49982401 BWBRORAWTOWZCN-UHFFFAOYSA-N 267.285 -0.116 50 20 CBGD O=C(CNC(=O)NCc1ccco1)NNC(=O)NC1CC1 64427502 AIGLQPVEQUAPEG-UHFFFAOYSA-N 295.299 -0.428 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(CCOC)CC1 111196917 PHGVRFDSEUVEIS-NSHDSACASA-N 286.376 -0.804 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)Cc2ccc(F)cc2)C1 188153643 NXKQATUWJVAHKM-UHFFFAOYSA-N 293.298 -0.006 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cnc(S)[nH]2)[nH]n1 193113561 KOPQVFNFZOTEOX-UHFFFAOYSA-N 266.286 -0.195 50 20 CBGD CN(C)CC(=O)NNC(=O)COc1ccc(C#N)cc1 263860163 SBCVZWBQNALAIZ-UHFFFAOYSA-N 276.296 -0.354 50 20 CBGD Cc1ccc(C(=O)NCCC(=O)NN(C)C(N)=O)c(O)c1 272946549 XRNUJUBSSZYSHS-UHFFFAOYSA-N 294.311 -0.138 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)[C@@H]1CC[C@@H](C(N)=O)O1 276535679 DLHOPVWLPXSTNK-QWRGUYRKSA-N 291.307 -0.211 50 20 CBGD CNC(=O)NNC(=O)C1=C(C)N(C)c2ncnn2[C@@H]1C 281538559 IMPUCNIYGUSGCE-SSDOTTSWSA-N 279.304 -0.477 50 20 CBGD CCCSCC(=O)NNC(=O)C(=O)NC(C)C 298832383 YACGREVJRNXYDR-UHFFFAOYSA-N 261.347 -0.198 50 20 CBGD CCOC(=O)NNS(=O)(=O)CCOCCOC 493712419 VADPROCSAHMPQG-UHFFFAOYSA-N 270.307 -0.770 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)Cn1cnc(C#N)n1 493963040 IKYYWOGNUXNZOO-UHFFFAOYSA-N 266.261 -0.294 50 20 CBGD CCOC(=O)NNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 493969346 VNSQVEZUJUXPRD-SSDOTTSWSA-N 295.361 -0.272 50 20 CBGD CCOC(=O)NNC(=O)CN(C)CC(=O)NC(C)C 495672184 JQGHIFOTJOWREV-UHFFFAOYSA-N 274.321 -0.780 50 20 CBGD CC[C@](C)(O)CNC(=O)c1ccc(B(O)O)c(F)c1 584956082 ZYZBANYACWLGHO-LBPRGKRZSA-N 269.081 -0.604 50 20 CBGD CC[C@H](C[C@H](C)CO)NC(=O)c1ccc(B(O)O)cc1 584962488 HHSLYGOZEADKKY-GXFFZTMASA-N 279.145 -0.107 50 20 CBGD C[C@H]1C[C@@H](NC(=O)c2cc(B(O)O)ccc2F)CCO1 584968840 FNCWMJBVFBFKLI-WPRPVWTQSA-N 281.092 -0.197 50 20 CBGD C[C@H](O)[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584972270 RQFMZPFOKSRUAM-IUCAKERBSA-N 281.092 -0.652 50 20 CBGD CCN(CCCN(C)C)C(=O)c1cccc(B(O)O)c1 584980173 SIEAAEHPSPFWCU-UHFFFAOYSA-N 278.161 -0.220 50 20 CBGD O=C(NC[C@@H](CO)C1CC1)c1ccc(B(O)O)c(F)c1 584990916 OCNDVOLRNCPTTP-JTQLQIEISA-N 281.092 -0.746 50 20 CBGD CC(=O)N1CCC(NCc2ccc(B(O)O)cc2F)CC1 585014252 LSZIFIRWZWPMNX-UHFFFAOYSA-N 294.135 -0.394 50 20 CBGD OC[C@@H](CNCc1ccc(B(O)O)o1)C1CCC1 585039940 CLUILYKASIEJMU-SNVBAGLBSA-N 253.107 -0.542 50 20 CBGD OB(O)c1ccc(CNCCN2CCCOCC2)cc1 585040068 DZJZNCAMEZCETF-UHFFFAOYSA-N 278.161 -0.822 50 20 CBGD N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](B(O)O)C1 585059062 YHHHWGLZKWHPHQ-SECBINFHSA-N 298.104 -0.065 50 20 CBGD Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@@H](B(O)O)C1 585060983 NCVRDAQTELNGKS-SECBINFHSA-N 287.150 -0.726 50 20 CBGD CC(C)(C)C(=O)NCCC(=O)NNC(=O)Cc1cc[nH]n1 730091456 AQTQXPODTVHPDK-UHFFFAOYSA-N 295.343 -0.348 50 20 CBGD Cn1ccc(S(=O)(=O)NNC(=O)C2CCC2)n1 732047918 KRPWTUACPIPPIY-UHFFFAOYSA-N 258.303 -0.470 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(CC)[C@H](C)C1 754385965 KORJNOUFORSDED-GHMZBOCLSA-N 270.377 -0.042 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)CC(=O)OC 772183735 BQPKVJPZLDCYJY-SFYZADRCSA-N 288.300 -0.325 50 20 CBGD C#CCCCCCC(=O)NNC(=O)C(=O)NC1CC1 779879099 RFTUEPMYRLACMX-UHFFFAOYSA-N 265.313 -0.004 50 20 CBGD COCCONC(=O)NNC(=O)c1cccc(C)n1 793087940 KPGHYXXEBOIHAX-UHFFFAOYSA-N 268.273 -0.088 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCc2ncccn2)n[nH]1 812533846 HCPSLZDUEKCRNF-UHFFFAOYSA-N 274.284 -0.098 50 20 CBGD CCn1ccnc1C(=O)NNC(=O)Cc1cc[nH]n1 813442615 CWHVCOZQVLIFRK-UHFFFAOYSA-N 262.273 -0.370 50 20 CBGD C[C@@H](C(=O)NNc1ncncc1F)N1CCN(C)CC1 817081591 ABODDFJSNVLKDC-VIFPVBQESA-N 282.323 -0.305 50 20 CBGD C[C@H](CC(=O)NNC(=O)N1CCOCC1)n1cccn1 819194339 VMUQLDJNLXCGJM-SNVBAGLBSA-N 281.316 -0.093 50 20 CBGD CN1CC(=O)N(CCCC(=O)NN(C)C2CC2)C1=O 819642876 STDVPAOPMMALLN-UHFFFAOYSA-N 268.317 -0.214 50 20 CBGD O=C(NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1ccoc1 823277592 RIASWXRTRQARGR-UHFFFAOYSA-N 287.239 -0.137 50 20 CBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NN(C)[C@@H](C)CO)C2 823918369 VZXRTMNVSNJANB-YFKTTZPYSA-N 297.355 -0.027 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CC(=O)N(C2CC2)C1 823977521 YTOPPJGVTQCHFF-IUCAKERBSA-N 255.318 -0.659 50 20 CBGD O=C(C[C@@H]1CC(=O)NC1=O)NNC(=S)NCC1CCC1 824437221 NPURTVVGJNAINC-QMMMGPOBSA-N 298.368 -0.665 50 20 CBGD O=C(Cc1ccccn1)NNC(=O)NC1CN(C(=O)O)C1 831562679 RXDZRHFGMKDJGR-UHFFFAOYSA-N 293.283 -0.683 50 20 CBGD CCOC(=O)[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 834853120 OSJSBSHDAHLGQX-LLVKDONJSA-N 291.112 -0.608 50 20 CBGD CC(C)C(=O)NN=Cc1cn(C)c(=O)n(C)c1=O 839397972 JGTDQMCYWQDLDE-UHFFFAOYSA-N 252.274 -0.810 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 839687924 ILQJOGJJMTZAJC-RNFRBKRXSA-N 266.261 -0.349 50 20 CBGD CNCCNC(=O)NNC(=O)COc1cccc(C)c1 841937273 WKSLKSBKIQYBKO-UHFFFAOYSA-N 280.328 -0.076 50 20 CBGD COCC1(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1 843659683 IOWJMXHMXSAXLL-BDAKNGLRSA-N 256.302 -0.015 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cncc(O)c1 843970671 JDSSZFHZPZZGSZ-XVKPBYJWSA-N 265.269 -0.027 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCCn1cncn1 843980983 ZCCCHGUFVWWKCW-ZJUUUORDSA-N 281.316 -0.369 50 20 CBGD CO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)C(=O)NC1CC1 845467905 MRLFLZZWSZGLKQ-NXEZZACHSA-N 298.343 -0.447 50 20 CBGD CNC(=S)N(C)NC(=O)CS(=O)(=O)CC(C)C 854925753 MBRSCBAIXUOLFK-UHFFFAOYSA-N 281.403 -0.476 50 20 CBGD C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)c2cc[nH]n2)O1 855355594 AUAAJBMXSVSXKQ-ZXFLCMHBSA-N 252.274 -0.016 50 20 CBGD CN(C)CC1(C(=O)NNC(=O)N2CCOCC2)CC1 874248471 WCUNKSCCYRFIFM-UHFFFAOYSA-N 270.333 -0.599 50 20 CBGD CSSCCNC(=O)N1CC(NS(C)(=O)=O)C1 875570121 XKDALWFODATCEX-UHFFFAOYSA-N 299.443 -0.059 50 20 CBGD C[C@H](O)C(=O)N1CCN(S(=O)(=O)CCCCl)CC1 882030871 YIUGJOQATIJTEV-VIFPVBQESA-N 298.792 -0.530 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC[C@@H](CF)C2)N1 883737908 MWKPAHNTYOKEOE-DTWKUNHWSA-N 286.307 -0.313 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)Cn1cccnc1=O 899992184 PZQBJOJIDTYTIS-UHFFFAOYSA-N 283.357 -0.463 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@H](C)S(C)(=O)=O)n1 916160027 AFIBNZVFRIOAMJ-QMMMGPOBSA-N 272.330 -0.030 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccccc1O 919743375 AEIZKHAGKQDWMB-UHFFFAOYSA-N 272.282 -0.802 50 20 CBGD O=C(CC1CCOCC1)NNC(=O)C(=O)N1CCCC1 1116079562 KOUQRWBDKLIMDJ-UHFFFAOYSA-N 283.328 -0.427 50 20 CBGD CCOCC(=O)NNC(=O)NCc1ccc(C#N)cn1 1117427544 DLKJCRDCVGMRCB-UHFFFAOYSA-N 277.284 -0.180 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2C[C@@H]3[C@H](C2)C3(F)F)N1 1118864172 LVFKXANCOJJZRS-DSYKOEDSSA-N 288.254 -0.797 50 20 CBGD N#Cc1cccc(C=NNC(=O)[C@@H]2CCC(=O)N2)n1 1118948876 HJMQLRNQMBCJMJ-JTQLQIEISA-N 257.253 -0.318 50 20 CBGD COC(=O)C(=O)NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 1252511595 RVKJRIAWOVQNJW-BIIVOSGPSA-N 271.342 -0.157 50 20 CBGD Cc1cc(CC(=O)NNC(=O)C2(F)CCOCC2)n[nH]1 1261878378 LBJWHGQLWYOZPC-UHFFFAOYSA-N 284.291 -0.073 50 20 CBGD CN(C)c1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc1 1262635644 VYDSZCUEFQHILD-UHFFFAOYSA-N 299.352 -0.442 50 20 CBGD COC(=O)N1CCCN(CC(=O)NNC(=O)C2CC2)CC1 1319324673 MWHCEWRRHIDWKI-UHFFFAOYSA-N 298.343 -0.682 50 20 CBGD CC(C)(C)OCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1320144208 TZDIWCCUHXMDTC-QMMMGPOBSA-N 292.357 -0.616 50 20 CBGD O=C(CCc1ccncc1)NNC(=O)C(=O)N1CCCC1 1321589746 NDICALXZMXKJDM-UHFFFAOYSA-N 290.323 -0.216 50 20 CBGD Cn1cc(/C=C(/C#N)S(=O)(=O)NC2CC2)nn1 1322458381 AEWPPNLDSIOTIH-WTKPLQERSA-N 253.287 -0.239 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1noc2c1CCCC2 1323152147 XKUHRQNWAMFWAH-UHFFFAOYSA-N 296.283 -0.443 50 20 CBGD Cc1ncc(NC(=O)C(=O)NNC(=O)C2CC2)s1 1323940808 KJAXPROOSDBMNV-UHFFFAOYSA-N 268.298 -0.053 50 20 CBGD COCCOCC(=O)NNC(=O)c1c(Cl)cnn1C 1329609137 SWUBSJRQSOLHSM-UHFFFAOYSA-N 290.707 -0.503 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@H]2CCSC2)N1 1331519447 JVMZCPUMWVSWQB-BQBZGAKWSA-N 272.330 -0.899 50 20 CBGD COC[C@H](C)CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1331907188 MNRNDBBJMLZOKR-RKDXNWHRSA-N 292.357 -0.759 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCC(=O)C1 1332483103 VZIDJTGFDQXHDL-ZETCQYMHSA-N 255.274 -0.972 50 20 CBGD C/C(Cl)=C/C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1333993081 FEAKHMIDIOWWCY-NGAMADIESA-N 280.733 -0.289 50 20 CBGD O=C(NNC(=O)c1ncccc1F)C(=O)N1CCCC1 1350613548 WLHMZIHKJPPGBA-UHFFFAOYSA-N 280.259 -0.396 50 20 CBGD CC[C@H](C(=O)NNC(=O)[C@@H](N)CO)c1ccccc1 1573659332 CKSJMXWTGBDMLQ-QWRGUYRKSA-N 265.313 -0.353 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@@]1(C(=O)O)CCCO1 1588661004 LYRSHRUTDRHPEI-LLVKDONJSA-N 289.357 -0.086 50 20 CBGD CC(=O)NNC(=O)c1ccsc1-c1nn[nH]n1 1588869898 LEJJNGQSYXZHKM-UHFFFAOYSA-N 252.259 -0.291 50 20 CBGD CO[C@](C)(C(=O)O)C(=O)NNc1nc2ccccn2n1 1593926549 JWBKIIKPSUQZPI-NSHDSACASA-N 279.256 -0.338 50 20 CBGD C[C@@H]1CCCN([C@H](C)CNC(=O)NNC(=O)C(=O)O)C1 1594383695 PJLWFYOMDKODPA-RKDXNWHRSA-N 286.332 -0.478 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1594643458 GLANZYQVRLBANS-KDXUFGMBSA-N 286.284 -0.809 50 20 CBGD COC[C@@H](NC(=O)NNC(=O)C(=O)O)c1ccco1 1599172931 FWTLOLBDHDCKKC-ZCFIWIBFSA-N 271.229 -0.618 50 20 CBGD O=C(O)CC1CC(NC(=O)c2cccc(B(O)O)c2)C1 1601945297 JIGGRYQSBGJONM-UHFFFAOYSA-N 277.085 -0.651 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CO[C@H](CCC(=O)O)C1 1603269195 VODHVRVNAQSQJM-IVZWLZJFSA-N 274.317 -0.400 50 20 CBGD COc1cc2c(cc1OC)C(=NNC(=O)C(=O)O)C(=O)N2 1610311333 SQDFRZMMXMTRAC-UHFFFAOYSA-N 293.235 -0.439 50 20 CBGD O=C(NCc1cccc(F)n1)NNC(=O)C(=O)O 1610697938 DUHIWDNKHGFXEH-UHFFFAOYSA-N 256.193 -0.864 50 20 CBGD O=C(O)CCNC(=O)NNC(=O)[C@@H]1CCCCO1 1611452529 IPLPSHXQDAJQML-ZETCQYMHSA-N 259.262 -0.639 50 20 CBGD CC(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841349632 DVPFSWHUIJDUGI-VIFPVBQESA-N 260.721 -0.191 50 20 CBGD O=C(CCn1cncn1)NNC(=O)NC1CCCC1 49430960 ZCDRKQVYOIBOLV-UHFFFAOYSA-N 266.305 -0.059 50 20 CBGD CNC(=O)NNC(=O)C[C@H](NC(N)=O)c1cccs1 56375914 VXDOZBBJOCKNQP-LURJTMIESA-N 285.329 -0.192 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1ccoc1 63684059 XYAISYKBVDBAKN-UHFFFAOYSA-N 251.242 -0.337 50 20 CBGD Cc1ccc(NNC(=O)NCC(=O)N(C)C)nn1 106256183 PPTSAEOSYFFSRR-UHFFFAOYSA-N 252.278 -0.501 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCNC(=O)C(C)(C)C)cn1 117681397 HRRYZGJFEWOFFH-UHFFFAOYSA-N 295.343 -0.267 50 20 CBGD Cc1ccccc1NC(=O)C(=O)NNC(=O)CN(C)C 126434716 QBPDRYSHTUOECX-UHFFFAOYSA-N 278.312 -0.357 50 20 CBGD O=C(CN1C(=O)CNC1=O)NNc1ccc(F)cc1F 192965615 LDZZBVKQRZQXHV-UHFFFAOYSA-N 284.222 -0.040 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 247647483 VTUAGNUSLOPJSY-YIKMNZTOSA-N 292.339 -0.360 50 20 CBGD COC(=O)NC(C)(C)C(=O)NNC(=O)NC1CC1 264121294 CQPFAAUVXAQKMH-UHFFFAOYSA-N 258.278 -0.386 50 20 CBGD COc1ccc(OCC(=O)NNC(=O)C(C)(C)O)cc1 277061969 IXGUYZZFBSOVAH-UHFFFAOYSA-N 282.296 -0.008 50 20 CBGD C=C[C@@](C)(O)CC(=O)NNC(=O)Cn1nc(C)cc1C 278586125 KAGSOGUAVXUKEO-CYBMUJFWSA-N 280.328 -0.026 50 20 CBGD C#CCn1ccnc1C=NNC(=O)CN1CCCC1=O 491791738 BFNZPJLGAIDCHH-UHFFFAOYSA-N 273.296 -0.411 50 20 CBGD COC(=O)N(C)NC(=O)c1cccc(OCC(N)=O)c1 495826810 YIKVMZWHZGUATF-UHFFFAOYSA-N 281.268 -0.106 50 20 CBGD CCCNC(=O)CCC(=O)Nc1cccc(B(O)O)c1 584911865 ZRRSITJEFUIMNB-UHFFFAOYSA-N 278.117 -0.389 50 20 CBGD O=C(NCCN1CCCCC1)c1ccc(B(O)O)c(F)c1 584930049 RLBFYLCTCIOYIJ-UHFFFAOYSA-N 294.135 -0.279 50 20 CBGD CC(C)NC(=O)C[C@H](C)NC(=O)c1cccc(B(O)O)c1 584953333 ULQUTZVEKRTGNW-JTQLQIEISA-N 292.144 -0.601 50 20 CBGD Cc1nc([C@H](C)NC(=O)c2ccc(B(O)O)c(F)c2)no1 584963896 DYWZRLRPYDOTFX-LURJTMIESA-N 293.063 -0.312 50 20 CBGD C[C@H](c1cnn(C)c1)N(C)C(=O)c1cccc(B(O)O)c1 584970662 FIUYSHMLQBJFJP-SNVBAGLBSA-N 287.128 -0.067 50 20 CBGD O=C(Nc1nncn1C1CC1)c1ccc(B(O)O)c(F)c1 584987066 GYQLFOGFLBOPND-UHFFFAOYSA-N 290.063 -0.316 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)c2nccn21 584997243 ZFVJCMVOEPPBGB-BXKDBHETSA-N 285.112 -0.001 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H]2OCC[C@@H]2C1 585003682 PTSFQAXNCPDNFF-YPMHNXCESA-N 275.113 -0.383 50 20 CBGD Cc1cc(C)n(CCCNCc2ccc(B(O)O)o2)n1 585016596 RSTCFGRLVGWDTE-UHFFFAOYSA-N 277.133 -0.047 50 20 CBGD COc1ccccc1[C@@H](O)CNCc1ccc(B(O)O)o1 585018444 LOIUWOXDCPVAPG-LBPRGKRZSA-N 291.112 -0.209 50 20 CBGD OB(O)c1ccc(CNCC2(N3CCOCC3)CC2)cc1 585038505 GXWDCCSOKPAORB-UHFFFAOYSA-N 290.172 -0.679 50 20 CBGD O=C(NCB(O)O)c1cc(-c2ccc(F)cc2)[nH]n1 585061244 TVAABHSVAHYPOW-UHFFFAOYSA-N 263.037 -0.042 50 20 CBGD CC(C)NC(=O)CNC(=S)NNC(=O)c1cccn1C 727272857 VFWVROJVPHLBBS-UHFFFAOYSA-N 297.384 -0.341 50 20 CBGD CCNC(=O)CN(C)[C@@H](C)C(=O)NNC(=O)CC 732197961 QSPZZIGRBGWQAQ-QMMMGPOBSA-N 258.322 -1.000 50 20 CBGD CC(=O)N[C@@H](C(=O)NNC(=O)c1cnn(C)c1)C(C)C 735450044 SCOGLLFFOPZKEW-SNVBAGLBSA-N 281.316 -0.658 50 20 CBGD CC[C@@H](C)OCC(=O)NNC(=O)CNC(=O)c1ccco1 751833192 ZYRHZCWRIZNMBO-SECBINFHSA-N 297.311 -0.028 50 20 CBGD Cc1ccc(C(=O)NNC(=O)NCC[S@](C)=O)o1 752379604 ITXBDOOBYZOAAB-SFHVURJKSA-N 273.314 -0.089 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)NC2)o1 752780736 HCDHRTFWWUNOAF-QMMMGPOBSA-N 265.269 -0.125 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cnn2ncccc12 768259145 FKRHGUILXOTNRL-UHFFFAOYSA-N 263.257 -0.739 50 20 CBGD O=C1CC(C(=O)OCC(=O)NNC(=O)c2ccccc2)C1 769805446 NPKCSJDFRAYZNQ-UHFFFAOYSA-N 290.275 -0.030 50 20 CBGD C[C@H]1C[C@H](C(=O)NNC(=O)N2CCOCC2)CCO1 776343175 RFYOCBZGMLTCHD-VHSXEESVSA-N 271.317 -0.126 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H](C)CS(C)(=O)=O 780710730 HDSFBAQPHUOUSE-ZETCQYMHSA-N 265.335 -0.640 50 20 CBGD COc1cccc(NNC(=O)Cn2cnc(C#N)n2)n1 781023818 IWNLPNVJJBAGIA-UHFFFAOYSA-N 273.256 -0.303 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C#N)[nH]1 786087947 UGZJBZOFPVFILX-SSDOTTSWSA-N 278.268 -0.011 50 20 CBGD COc1cc(NC(=O)C(=O)NNC(=O)CC2CC2)ccn1 806977299 CUIDECYQXVYQGE-UHFFFAOYSA-N 292.295 -0.024 50 20 CBGD CN1CCN(C(=O)NNC(=O)CC2(O)CCCC2)CC1 807382996 XXXICNDNQZZQSY-UHFFFAOYSA-N 284.360 -0.330 50 20 CBGD Cc1ccccc1CC(=O)NN=C1C(=O)NC(=O)NC1=O 814223159 CQOLMGOYECUXIO-UHFFFAOYSA-N 288.263 -0.624 50 20 CBGD CCN(CCO)NC(=O)Cc1ccc(-n2cnnn2)cc1 823846171 CXUURDHIRZAWAF-UHFFFAOYSA-N 290.327 -0.450 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccnn1C(F)F 832750044 SMBFQXNGPOMOCX-UHFFFAOYSA-N 262.216 -0.190 50 20 CBGD C[C@H](CC(N)=O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843973680 ZDBBRTSJITVERG-PRJMDXOYSA-N 257.290 -0.930 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCN1CCOCC1 843976478 YMYDYINTVSDBCA-MNOVXSKESA-N 285.344 -0.719 50 20 CBGD CCn1ccc(CC(=O)NNC(=O)CN(C)C)n1 846633894 UMZHLDOESJIWFH-UHFFFAOYSA-N 253.306 -0.846 50 20 CBGD Cn1cnn(CCC(=O)NNc2ncc(F)cc2F)c1=O 848386206 JCMFQRFBVWPTOQ-UHFFFAOYSA-N 298.253 -0.212 50 20 CBGD O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCNC1 851672473 NUGFHUQXTJFGLK-VIFPVBQESA-N 293.283 -0.099 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)[C@@H]1CC(=O)NC(=O)N1 854161758 SNUHTHMKTTUYTH-YFKPBYRVSA-N 272.261 -0.860 50 20 CBGD O=C(NNc1ncc(F)cc1F)C1=NN2CCCN=C2N1 854899471 NRVHHOJSEPZJEF-UHFFFAOYSA-N 295.253 -0.219 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 854927286 BMKNSJJUZJJYBO-DTWKUNHWSA-N 267.358 -0.009 50 20 CBGD COC(=O)c1cnn(CC(=O)NNC(=O)CC2CC2)c1 861842525 MAZASZGHKOVOHS-UHFFFAOYSA-N 280.284 -0.383 50 20 CBGD CN(NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C1CC1 862038090 UBLUIVQTAKJBAR-VIFPVBQESA-N 275.374 -0.217 50 20 CBGD COC(=O)c1ccc(C(=O)NN(C)C[C@@H](C)O)cn1 910176001 XEDVRHUWWBCTGF-MRVPVSSYSA-N 267.285 -0.174 50 20 CBGD C[C@@H]1NC(=O)[C@H](C)N(C(=O)c2ccc(B(O)O)cc2)[C@@H]1C 911778858 NBSPFBDUBGSTJW-AEJSXWLSSA-N 290.128 -0.896 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cnn(C)c1 917212075 FQXOJCLLZJWSTN-NSHDSACASA-N 279.344 -0.162 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C)nc1C 1116600008 MSSMMMXFPLGIAW-UHFFFAOYSA-N 280.284 -0.569 50 20 CBGD CC(C)(O)C(=O)NNC(=O)C12CCCN1CCC2 1117761098 QYPUOCQXOUGFIQ-UHFFFAOYSA-N 255.318 -0.467 50 20 CBGD CCn1ncnc1C=NNC(=O)C(=O)NC(C)C 1118384007 OCBWKWFMWKQQBD-UHFFFAOYSA-N 252.278 -0.727 50 20 CBGD CC(C)c1ncc(C(=O)NNC(=O)CS(C)(=O)=O)[nH]1 1118953496 GLURDYRJVNRAGW-UHFFFAOYSA-N 288.329 -0.661 50 20 CBGD Cc1noc(C2CCC(=NNC(=O)C(N)=O)CC2)n1 1256428140 NTGVAXRNXZOOPW-UHFFFAOYSA-N 265.273 -0.007 50 20 CBGD Nc1cnnc(NNC(=O)[C@H]2CSCN2)c1Cl 1261495018 OEDCRASVFFADIL-RXMQYKEDSA-N 274.737 -0.182 50 20 CBGD COCCc1ccccc1NC(=O)C(=O)NNC(C)=O 1320607199 HQBODKSTSPZCQY-UHFFFAOYSA-N 279.296 -0.019 50 20 CBGD CCOC[C@@H](NC(=O)NNC(=O)C(=O)OC)C(C)C 1320681398 UHTYFVWKEMGFEN-MRVPVSSYSA-N 275.305 -0.449 50 20 CBGD COC(=O)C(=O)NN[C@@H](C(=O)OC)c1ccsc1 1321182839 CPODRBCVEXQEHO-SSDOTTSWSA-N 272.282 -0.244 50 20 CBGD C[C@@H](O)C(=O)NNc1nc2ccccc2c(=O)n1C 1324409458 VDCMODXDAUAQBV-SSDOTTSWSA-N 262.269 -0.243 50 20 CBGD O=C(NNC(=O)[C@@]1(F)CCOC1)[C@@H]1CCCCO1 1324745429 WUYFTNCHFBUURO-GZMMTYOYSA-N 260.265 -0.169 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ccncn1 1326647992 MVNUEJAFZXCJJN-GXSJLCMTSA-N 278.312 -0.018 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CCn2ccnc2C1 1328416785 JLRUOQVMTALILH-MRVPVSSYSA-N 267.358 -0.087 50 20 CBGD COCCOC[C@@H](C)NC(=O)NN(C)C(=O)OC 1330295290 VFXQKFKORGBOCY-MRVPVSSYSA-N 263.294 -0.050 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NNc1ccncn1 1332094122 PSYLCFDHHASIGU-HTQZYQBOSA-N 280.288 -0.441 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2CCc3n[nH]cc3C2)nc1O 1335865527 FANYXAVZGGUXPJ-ZETCQYMHSA-N 289.299 -0.143 50 20 CBGD COC(=O)[C@H]1C[C@@H](C(=O)NNC(=O)NC2CC2)C1 1338803923 APDFNUMSKZNQGR-KNVOCYPGSA-N 255.274 -0.322 50 20 CBGD CCn1cc(C(=O)C(=O)NNC(=O)NCC2CC2)cn1 1341201412 NQKPESQJLAFSEU-UHFFFAOYSA-N 279.300 -0.174 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCN[C@@H]([C@H]2CCCO2)C1 1578413316 KRZVALFXFHHCEE-IJLUTSLNSA-N 298.387 -0.757 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@H](CCC(=O)O)C(=O)OC 1596864786 WNVLFGFOWMTRTN-UFGYOYAJSA-N 284.268 -0.047 50 20 CBGD Cc1nnc(NNC(=O)NC[C@H]2CCO[C@H]2C(=O)O)n1C 1600798514 MGWROWRDUWTVDR-HTQZYQBOSA-N 298.303 -0.761 50 20 CBGD CO[C@@H](C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1604999229 BQURUGHLPWWADI-ZETCQYMHSA-N 290.283 -0.337 50 20 CBGD O=C(NCCn1cc(C(=O)O)nn1)NNc1ncccn1 1610695388 DYHUCVZKQRLBFP-UHFFFAOYSA-N 292.259 -0.907 50 20 CBGD CCO[C@H]1C[C@H]1C(=O)NN=Cc1cc(C(=O)O)nn1C 1776101885 BITOMOLAQQNAHO-SCZZXKLOSA-N 280.284 -0.007 50 20 CBGD CN(CCS(C)(=O)=O)S(=O)(=O)CCCCl 86855371 UVVKUAAVKAKSIF-UHFFFAOYSA-N 277.795 -0.079 50 20 CBGD N#Cc1cc(NC(=O)NNC(=O)CO)ccc1F 184878779 RLWOWNOOIXFBFC-UHFFFAOYSA-N 252.205 -0.158 50 20 CBGD CCn1cc(C(=O)NNC(=O)N2CCOCC2)cn1 265136707 UDYFYBCUWRIYPA-UHFFFAOYSA-N 267.289 -0.410 50 20 CBGD CN1N=C(C(=O)NNc2cc(Cl)nc(N)n2)CCC1=O 272433752 DNNNUYHPRSGRGS-UHFFFAOYSA-N 297.706 -0.237 50 20 CBGD COc1cccc(NNC(=O)CS(C)(=O)=O)n1 272502708 HIJCHEOFNLUDEL-UHFFFAOYSA-N 259.287 -0.422 50 20 CBGD CCNC(=O)N(C)NC(=O)CNCC(F)(F)F 272690087 QDCJABLCSVLNEZ-UHFFFAOYSA-N 256.228 -0.169 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCC(C)(C)O)n1 275066345 XYOGKSLSDBIYSR-UHFFFAOYSA-N 297.359 -0.009 50 20 CBGD C=C[C@@](C)(CC)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 276065612 DWRDBJIMGJAPHY-KWQFWETISA-N 291.373 -0.326 50 20 CBGD CN1C[C@@H](C(=O)NNc2ncncc2F)CC1=O 293893859 FJNRKFLMZUBCCB-LURJTMIESA-N 253.237 -0.463 50 20 CBGD C[C@H](C[S@](C)=O)N(C)Cc1cccc(B(O)O)c1 399914434 CBOMMHFRPYZZDL-MGNBDDOMSA-N 269.175 -0.435 50 20 CBGD CC(=O)N1CCC[C@H](C(=O)Nc2cccc(B(O)O)c2)C1 404958295 ICYRXWSJLDRWEJ-NSHDSACASA-N 290.128 -0.437 50 20 CBGD CC[C@H](NC(=O)c1cccc(B(O)O)c1)c1nc[nH]n1 584951342 PNLYNMLOKUXDHX-JTQLQIEISA-N 274.089 -0.634 50 20 CBGD CC(C)C[C@H](O)CNC(=O)c1cccc(B(O)O)c1 584959498 HQYWISJJICLCRI-LBPRGKRZSA-N 265.118 -0.497 50 20 CBGD CC[C@@](C)(CNC(=O)c1cccc(B(O)O)c1)[C@H](C)O 584964299 BKDCELLFSWFDMG-HZMBPMFUSA-N 279.145 -0.107 50 20 CBGD Cc1nc(CN(C)C(=O)c2cccc(B(O)O)c2)no1 584971079 KUZMUJZCCMBFMF-UHFFFAOYSA-N 275.073 -0.670 50 20 CBGD O=C(NC[C@@H]1CCSC1)c1cc(B(O)O)ccc1F 584984419 YFVXCDLMAGQMNI-QMMMGPOBSA-N 283.133 -0.012 50 20 CBGD CO[C@H](C1CC1)[C@H](C)NC(=O)c1ccc(B(O)O)cc1 584996767 PEYPHVTURJVILU-ZANVPECISA-N 277.129 -0.090 50 20 CBGD O=C(NC[C@H](O)C1CCC1)c1cc(B(O)O)ccc1F 584998584 FXCCRNOSHAMVBB-LBPRGKRZSA-N 281.092 -0.604 50 20 CBGD CN1CCC[C@H]1CCNC(=O)c1ccc(B(O)O)c(F)c1 585007814 OHPOBQMPQRESPE-NSHDSACASA-N 294.135 -0.280 50 20 CBGD CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@H](B(O)O)C1 585055829 FQRGONJVXLQVTF-UWVGGRQHSA-N 289.166 -0.739 50 20 CBGD O=C(NCB(O)O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 585063313 XFCZHCGXFIVMKK-VIFPVBQESA-N 294.091 -0.303 50 20 CBGD CC1CCN(CC(=O)N2CC[C@H](B(O)O)C2)CC1 585064410 FYVQBRJMCSGNCQ-NSHDSACASA-N 254.139 -0.206 50 20 CBGD CCN(CCNC(=O)NNC(=O)C(=O)NC1CC1)C1CC1 726281187 FFILAHCBFZKCMG-UHFFFAOYSA-N 297.359 -0.920 50 20 CBGD O=C(CCc1ccccc1O)NNC(=O)c1n[nH]c(O)n1 730032816 HAYMZMBDGJCJSE-UHFFFAOYSA-N 291.267 -0.390 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](C(=O)NC)C1 732206766 BCGIHKGUXMUXRC-VHSXEESVSA-N 284.360 -0.610 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)[C@@H]1C[C@@H]1C(=O)O 739336817 JOEYASOOWZAZRZ-SFYZADRCSA-N 294.263 -0.361 50 20 CBGD CCCNC(=O)NNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 746171780 YDPKALZDHMLRII-JTQLQIEISA-N 299.375 -0.863 50 20 CBGD Cc1nonc1C(=O)NNC(=O)Cc1ccncc1 747324934 SJWHMOAXLUWWDH-UHFFFAOYSA-N 261.241 -0.223 50 20 CBGD Cn1cnc(S(=O)(=O)NNC(=O)C(C)(C)C)c1 751269477 VOESDZYWYSISAX-UHFFFAOYSA-N 260.319 -0.224 50 20 CBGD CCCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)CO 753440205 RTPBMXVSOYNXJC-QMMMGPOBSA-N 289.357 -0.782 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=O)c1ccc(Cl)nc1 754987369 LPESNPCXOCQWRX-NSHDSACASA-N 287.703 -0.107 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=O)c1ccccc1OC 755003269 XEMCTPVIZSYXTC-ZDUSSCGKSA-N 282.296 -0.146 50 20 CBGD CC(=NNC(=O)CN1CCCC1=O)c1ccnn1C 766002719 PYUJWYFEYYXANF-UHFFFAOYSA-N 263.301 -0.117 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)C[C@H]1CCCOC1 792774298 KJERBPCTNOTPKJ-VIFPVBQESA-N 279.362 -0.091 50 20 CBGD CO[C@H](C(=O)NNC(=O)C(C)C)c1cnn(C)c1 798831382 HSZMEKQNAOGXAR-VIFPVBQESA-N 254.290 -0.089 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](O)c1cccnc1 803956867 HOROKBCKPMTIAZ-KCJUWKMLSA-N 295.295 -0.396 50 20 CBGD COc1cccc(NNC(=O)[C@H](CO)NC(=O)C(C)C)n1 813511710 ONODDEWEVGOQOU-VIFPVBQESA-N 296.327 -0.334 50 20 CBGD O=C(NNc1ncccn1)c1cc(-c2nn[nH]n2)c[nH]1 823284072 BLOZTKOMJZXBAX-UHFFFAOYSA-N 271.244 -0.258 50 20 CBGD CCN(CCO)NC(=O)c1cn(CC2(CC)COC2)nn1 823889060 HBZFRIJAXSFAGY-UHFFFAOYSA-N 297.359 -0.336 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CCCN2C=O)c1 826089932 RSUIDHDFFOZARD-LBPRGKRZSA-N 286.291 -0.060 50 20 CBGD CC(=O)NCC(=O)NNc1ccccc1C(=O)O 833396078 DPJRPRSGYPZDKF-UHFFFAOYSA-N 251.242 -0.036 50 20 CBGD N[C@H]1Cc2ccccc2N(CC(=O)NNC(=O)C2CC2)C1 842480397 KTUXTBULUMDMPR-LBPRGKRZSA-N 288.351 -0.066 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(N)=O)cn1 843648884 RZJGTUVLDPFGLX-CBAPKCEASA-N 292.295 -0.634 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CS(=O)(=O)C1CC1 843964684 FUPUBYLDUHRIEB-VXNVDRBHSA-N 290.341 -0.864 50 20 CBGD O=C(NNC(=O)[C@]12CCC(=O)N1CCS2)C1CC1 849185802 SURLJVLAFMJJQO-LLVKDONJSA-N 269.326 -0.391 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](O)C(C)C 854388353 HKGBZIZFKCRJCE-VIFPVBQESA-N 276.333 -0.060 50 20 CBGD CO[C@@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 862452019 SADJZGQRGKUDDG-CMPLNLGQSA-N 291.307 -0.200 50 20 CBGD CC(C)c1nnc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 862461233 JETWIIAMKIWYMC-LURJTMIESA-N 297.340 -0.299 50 20 CBGD COC(=O)C[C@@H](C)CC(=O)NNC(=O)c1cn[nH]c1 862470213 KVKXURGHXUVNAJ-ZETCQYMHSA-N 268.273 -0.240 50 20 CBGD CCOc1cccc(C=NNC(=O)CS(C)(=O)=O)n1 863187656 OXWLILAYIVWARZ-UHFFFAOYSA-N 285.325 -0.025 50 20 CBGD Cc1cc(C(=O)NNC(=O)CS(C)(=O)=O)c(C)n1C 863460048 XDWFYXGJOVQVAK-UHFFFAOYSA-N 287.341 -0.552 50 20 CBGD COCCOCC(=O)NNC(=S)NCC(C)C 865244148 DTXNGIRTDRWGFC-UHFFFAOYSA-N 263.363 -0.199 50 20 CBGD COCCOCC(=O)NNC(=O)Cc1csc(C)n1 869913896 OQPKYXWTHHIDGU-UHFFFAOYSA-N 287.341 -0.196 50 20 CBGD CN1CCCC[C@H](C(=O)N2CC[C@H](B(O)O)C2)C1=O 902552470 MPDKLTBSVMISFX-UWVGGRQHSA-N 268.122 -0.680 50 20 CBGD O=C1CN(CC(=O)NN=c2cc[nH]cc2Cl)CCN1 907405308 ABWJXIHWEWTRQX-UHFFFAOYSA-N 283.719 -0.968 50 20 CBGD CC(=O)CCCC(=O)NNC(=O)CN1CCCC1=O 913730540 ZJFDJWLSQLHFSM-UHFFFAOYSA-N 269.301 -0.485 50 20 CBGD CC(C)(C)N1CCN(CC(=O)NNC(=O)C2CC2)CC1 1116324350 GZCWFXNNNZPEPC-UHFFFAOYSA-N 282.388 -0.040 50 20 CBGD NC(=O)NC1(C(=O)NNC(=O)NCC(F)(F)F)CC1 1116909592 AIEJEUQQNXCSTL-UHFFFAOYSA-N 283.210 -0.920 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@H]1CCC(=O)N1 1251675144 VKLLNBPIWYWWOB-SECBINFHSA-N 262.269 -0.950 50 20 CBGD CCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccccn1 1252885982 NWOBPYRSCYVESL-QMMMGPOBSA-N 280.284 -0.408 50 20 CBGD CCNC(=O)NNC(=O)CN1CCC(CO)CC1 1262605422 XIEFURUDDAQUBF-UHFFFAOYSA-N 258.322 -0.959 50 20 CBGD Cc1nc(C)c(CC(=O)NN(C)C(N)=O)c(O)n1 1320143393 RZDBOFPHXIYPJE-UHFFFAOYSA-N 253.262 -0.617 50 20 CBGD Cc1ccc(F)c(NC(=O)C(=O)NNC(=O)CCO)c1 1320238356 ZHTCLGLKKCBTMU-UHFFFAOYSA-N 283.259 -0.398 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CSCC#N 1322692204 VARLIONMEYWMOY-UHFFFAOYSA-N 253.287 -0.264 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCc1cnccn1 1326013276 LYHKNFBZTCLUEA-MWLCHTKSSA-N 293.327 -0.226 50 20 CBGD COCc1nn(C)cc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1326678158 UOJGCLZKYDRGRG-DTWKUNHWSA-N 296.327 -0.248 50 20 CBGD CNC(=O)C[C@H](C)NC(=O)NNC(=O)c1cccc(F)n1 1329912937 TTZSPGICFBCGTJ-ZETCQYMHSA-N 297.290 -0.311 50 20 CBGD O=C(CCCn1cncn1)NNC(=O)NCC(F)(F)F 1332550352 NXEAXWDJMQNIBP-UHFFFAOYSA-N 294.237 -0.049 50 20 CBGD C[C@@]1(C(=O)NCCS(N)(=O)=O)C[C@@H]1Br 1337012040 OYZPBLKPOQFPHC-CAHLUQPWSA-N 285.163 -0.435 50 20 CBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)CCO1 1337274152 JDUBKQPOOOQPPA-ZJUUUORDSA-N 283.328 -0.429 50 20 CBGD Cc1ncc(C(=O)NNC(=O)C(=O)N2CCCC2)[nH]1 1338885124 AAONDDBWCDDEHQ-UHFFFAOYSA-N 265.273 -0.898 50 20 CBGD CC(C)NC(=S)NNC(=O)c1ccc2nnnn2c1 1340272157 DQRXKWIMJCZYJP-UHFFFAOYSA-N 279.329 -0.358 50 20 CBGD COCc1nocc1C(=O)NNC(=O)CN(C)C 1346093485 GHQVWWHKVILCTN-UHFFFAOYSA-N 256.262 -0.856 50 20 CBGD O=C(NCC1CC(F)(F)C1)NNC(=O)C(=O)NC1CC1 1347514037 LTAWJCFYKDMCTE-UHFFFAOYSA-N 290.270 -0.359 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H](N)CN(C)Cc1ccccc1 1576272031 JMRAVASTDSQPPT-GXTWGEPZSA-N 294.399 -0.211 50 20 CBGD Cn1ccnc(NNC(=O)[C@H](C(=O)O)C2CC2)c1=O 1594551523 IRWLXJUCDZTMET-SSDOTTSWSA-N 266.257 -0.666 50 20 CBGD CCN1CCCC[C@H]1CNC(=O)NNC(=O)C(=O)O 1596425321 UDQVBBRLWMGSPQ-QMMMGPOBSA-N 272.305 -0.724 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCOC[C@H]1C(=O)O 1596864920 YLRGZFTZCKPIAK-ORZBULNSSA-N 254.242 -0.258 50 20 CBGD O=C(O)c1cnc(C(=O)NNC(=O)[C@@H]2CCCCO2)cn1 1602509187 UUVABGOSVYMWFB-VIFPVBQESA-N 294.267 -0.495 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1C[C@H](C(=O)O)C1 1604833246 BIFLQNSRMMEGQL-JBDRJPRFSA-N 285.300 -0.395 50 20 CBGD Cn1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)n1 1606246417 AEYWAPRVOPJINT-UHFFFAOYSA-N 285.271 -0.248 50 20 CBGD COC(=O)[C@H]1CC[C@H](C(=O)O)CN1S(=O)(=O)CCl 1606388128 LWLFUCZBCYBEQC-NKWVEPMBSA-N 299.732 -0.149 50 20 CBGD NC(=O)C(=O)NN=C1CCCc2ncc(C(=O)O)cc21 1776015835 KXOHTDNREZWRQQ-UHFFFAOYSA-N 276.252 -0.578 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 5856175 WSQKMGIGVBJRRV-UHFFFAOYSA-N 259.243 -0.076 50 20 CBGD COCCCNC(=O)NNC(=O)CNC(=O)c1ccco1 65623948 YGHLECAEWJNION-UHFFFAOYSA-N 298.299 -0.624 50 20 CBGD Cc1cc(C)n2ncc(C(=O)NNC(=O)CN(C)C)c2n1 113425174 UDEPDINRTOVTII-UHFFFAOYSA-N 290.327 -0.331 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 130155582 UIWRQJVNYITFBS-NXEZZACHSA-N 284.360 -0.022 50 20 CBGD O=C(Cn1nc2ccccn2c1=O)NNc1cnccn1 181658629 ICIPVQHDLFUYFO-UHFFFAOYSA-N 285.267 -0.571 50 20 CBGD CN(C)C(=O)NNC(=O)Cn1nnc(-c2ccccc2)n1 194470216 FVCYELPVIUYTAX-UHFFFAOYSA-N 289.299 -0.358 50 20 CBGD CN(C)C(=O)NNC(=O)Cn1c(=O)oc2ccccc21 194936544 UOXKVWYVXGMLID-UHFFFAOYSA-N 278.268 -0.103 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCN(C[C@H](C)O)CC1 275159843 XLEZZGDXGTYXIG-OCUQMRJBSA-N 267.329 -0.045 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C 491015041 ZFDFJGFANXMTEN-UHHLUOIISA-N 272.326 -0.020 50 20 CBGD CCS(=O)(=O)C[C@@H](C)NCc1ccc(B(O)O)cc1 585023300 FZDQJGBVQZKVCO-SNVBAGLBSA-N 285.174 -0.721 50 20 CBGD OB(O)c1ccc(CNCCc2cn[nH]c2)c(F)c1 585040790 JROJXAQLTKGZBX-UHFFFAOYSA-N 263.081 -0.439 50 20 CBGD O=C(NCB(O)O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 585059879 DTJMCTZRKFSNAE-VHSXEESVSA-N 277.085 -0.311 50 20 CBGD O=C(Cc1ccc(-n2cccn2)cc1)NCB(O)O 585062562 UQNNFYVOMUHDLN-UHFFFAOYSA-N 259.074 -0.457 50 20 CBGD C=CCNc1ncc(C(=O)N2CC[C@@H](B(O)O)C2)s1 585074059 SDTZWXNABPLGRB-MRVPVSSYSA-N 281.146 0.430 50 20 CBGD CN1CCN(CC(=O)NNC(=O)C(C)(C)C)CC1 732272211 NTESZKTYKIRMFD-UHFFFAOYSA-N 256.350 -0.573 50 20 CBGD CCc1c(C(=O)NNC(=O)c2cnn(C)c2)cnn1C 735444121 PBMUZGVIZYSOQN-UHFFFAOYSA-N 276.300 -0.209 50 20 CBGD O=C(CC[C@@H]1CCCO1)NNC(=O)C(=O)N1CCCC1 748241304 VEKAGSBJKMZPDJ-JTQLQIEISA-N 283.328 -0.285 50 20 CBGD COc1ccc2c(c1)OC[C@H]2CC(=O)NNC(=O)CO 753442764 PCRZGRGNJNNFQV-MRVPVSSYSA-N 280.280 -0.299 50 20 CBGD COC[C@@H](NCC(=O)NNC(=O)C1CC1)C1CC1 754213198 VVDLTOFUNKESKB-SNVBAGLBSA-N 255.318 -0.442 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1=NN(C)C(=O)CC1 771965058 DQIKKQLTAIZRFK-ZETCQYMHSA-N 298.299 -0.916 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@](O)(CC)C1 778390723 BSZCRLNADGOHDE-JOYOIKCWSA-N 257.334 -0.221 50 20 CBGD O=C(CN1CCCC1=O)NNc1ncncc1F 817069968 BOPAKESJGWWTLJ-UHFFFAOYSA-N 253.237 -0.319 50 20 CBGD CCN(CCO)NC(=O)c1ncccc1NC(C)=O 823829204 ONDFGJXACWVLOR-UHFFFAOYSA-N 266.301 -0.001 50 20 CBGD CCN(CCO)NC(=O)c1cc(C(=O)OC)nn1C 823901909 HKIIPOGNLFNXEK-UHFFFAOYSA-N 270.289 -0.834 50 20 CBGD O=C(CCOc1ccccc1)NNC(=O)[C@H]1CCNC1=O 824702950 UUAJLRWHDDHWFS-NSHDSACASA-N 291.307 -0.261 50 20 CBGD CO[C@@H]1COC[C@H]1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 827259450 JAOLEWPYPKEEOL-UTINFBMNSA-N 287.316 -0.844 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](C)[C@@H](C(=O)O)C1 828570355 AURFSJAZSACQKY-CIUDSAMLSA-N 271.317 -0.415 50 20 CBGD CCNC(=O)N(C)NC(=O)CO[C@H]1CCCNC1 843494967 XASLOACEZMGECP-VIFPVBQESA-N 258.322 -0.553 50 20 CBGD CC[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)N(C)C 843980101 RILPCVHFRWVXHX-IVZWLZJFSA-N 257.334 -0.101 50 20 CBGD COC(=O)C[C@H](C)C(=O)NNC(=O)c1cc[nH]n1 855357388 ICZJAUBIYMWJEB-LURJTMIESA-N 254.246 -0.630 50 20 CBGD CC(=O)NCC(=O)NCC(=O)NNc1ccc(C)c(F)c1 856231233 TWWHLNFRQUGXIW-UHFFFAOYSA-N 296.302 -0.170 50 20 CBGD CC[C@@H](CSC)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858346890 SXCODJOZZVJQKP-JGVFFNPUSA-N 288.373 -0.263 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC[C@@H]3C[C@H]3C2)N1 858703478 YCBCIBPGXLLSSM-HRDYMLBCSA-N 266.301 -0.652 50 20 CBGD O=C(/C=C\c1ccco1)NNC(=O)[C@@H]1CCC(=O)N1 862448791 HHHSLUACRZHTPC-LVCFMKKZSA-N 263.253 -0.281 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2COc3ccccc32)N1 862455132 MSPGMOIEIFRXQM-NXEZZACHSA-N 289.291 -0.411 50 20 CBGD CCCCC[C@H](O)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862458577 BPXBAYNWVCXHJQ-BDAKNGLRSA-N 271.317 -0.646 50 20 CBGD Cc1ncsc1/C=C/C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862462404 WRHOAGLHTVORQM-WGAJWPLOSA-N 294.336 -0.109 50 20 CBGD CCn1nc(C)c(C(=O)NNC(=O)c2cn[nH]c2)n1 862469175 AOWMQFXHQBKCOJ-UHFFFAOYSA-N 263.261 -0.596 50 20 CBGD CCS(=O)(=O)N[C@H](C)C(=O)NN=c1cc[nH]c(C)c1 862514103 QHSMNWBUHAMXAM-SECBINFHSA-N 286.357 -0.417 50 20 CBGD Cc1sccc1CC(=O)NNC(=O)CS(C)(=O)=O 863464643 KGFGZDBJQACMLR-UHFFFAOYSA-N 290.366 -0.209 50 20 CBGD COC(=O)[C@@H](CC1CC1)NCc1ccc(B(O)O)cc1 863889542 CWBWIKLWGMULTR-CYBMUJFWSA-N 277.129 -0.202 50 20 CBGD COCCOCC(=O)NNC(=O)c1c(F)ccnc1F 869905905 QNODLRHBRIXSIQ-UHFFFAOYSA-N 289.238 -0.216 50 20 CBGD COCCOCC(=O)NN=C(C)c1cn(C)cn1 872400436 ZODUUTJASLPVJA-UHFFFAOYSA-N 254.290 -0.077 50 20 CBGD C[C@H](O)CN1CCN(S(=O)(=O)CCCCl)CC1 881917843 RXDIVLCSLSVRBI-JTQLQIEISA-N 284.809 -0.057 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1C[C@H]2CC[C@H]1[C@H](O)C2 884438931 OKNACTBOVLFWON-UHFZAUJKSA-N 297.355 -0.003 50 20 CBGD C[C@@H](NNC(=O)C1CN(S(C)(=O)=O)C1)C(F)(F)F 912898620 NPWQEZBJIDXRNK-RXMQYKEDSA-N 289.279 -0.551 50 20 CBGD Cc1cc(OCC(=O)NNC(=O)[C@H]2CCOC2)no1 921148623 ICYWOAGZFGIVLA-QMMMGPOBSA-N 269.257 -0.454 50 20 CBGD CN1CC[C@@H]1CNC(=O)NNC(=O)CC(F)(F)F 925403137 GKILWBCRGXVUBI-ZCFIWIBFSA-N 268.239 -0.027 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1nc[nH]n1 1118218981 RBXXSUFBZMOXAX-SFYZADRCSA-N 267.289 -0.690 50 20 CBGD CCOCCO[C@@H](C)C(=O)N1CC[C@@H](B(O)O)C1 1118915601 IMDZVRQVGYGDHL-VHSXEESVSA-N 259.111 -0.497 50 20 CBGD Cc1nn2cccnc2c1C(=O)N1CC[C@@H](B(O)O)C1 1118976023 UAROEACYDXQDEW-SECBINFHSA-N 274.089 -0.273 50 20 CBGD COC(=O)NNC(=O)CCc1nc(-c2ncccn2)no1 1320386958 RSKYYQSIRJERMF-UHFFFAOYSA-N 292.255 -0.154 50 20 CBGD CN(C)c1ccnc(C(=O)NNC(=O)C(=O)NC2CC2)c1 1325123125 PKPBOZSWKKZVMF-UHFFFAOYSA-N 291.311 -0.813 50 20 CBGD CC(C)(C(=O)NNC(=O)CS(C)(=O)=O)c1cccnc1 1329127738 PAZRKKYNXZIVIG-UHFFFAOYSA-N 299.352 -0.449 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc2nonc2c1 1329156353 AFEKVBBATAVLBF-UHFFFAOYSA-N 263.257 -0.455 50 20 CBGD NC(=O)C[C@@H]1CCCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1329192078 CPOJOZSTWMJBBM-QMMMGPOBSA-N 294.315 -0.649 50 20 CBGD Cn1nc(C(=O)N2CC[C@H](B(O)O)C2)cc1C1CC1 1329293618 RMPZIKLQXKCIMV-VIFPVBQESA-N 263.106 -0.014 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)C2CCN(C3CC3)CC2)N1 1329644973 OIDFNIJNTJHFJQ-NSHDSACASA-N 294.355 -0.713 50 20 CBGD CN(C)C(=O)NNC(=O)c1cn(C)nc1-c1cnn(C)c1 1338511229 HMZSGRYKYCIKCP-UHFFFAOYSA-N 291.315 -0.263 50 20 CBGD CSCC[C@@H](O)C(=O)NNC(=O)C1CCOCC1 1339915107 QPGSTDSQALJACU-SECBINFHSA-N 276.358 -0.326 50 20 CBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NN=c1cc[nH]cc1 1345426719 KSLUJQGSINFPGP-UHFFFAOYSA-N 295.324 -0.754 50 20 CBGD O=C(O)c1cc(C(=O)NNC(=O)[C@@H]2CCCS2)[nH]n1 1574579034 SOYQMTVJBKHXCG-ZETCQYMHSA-N 284.297 -0.236 50 20 CBGD C[C@]1(C(=O)NNC(=O)c2cccc(F)n2)C[C@@H](O)CN1 1576350684 RPBVEAARBPPLGR-JMCQJSRRSA-N 282.275 -0.905 50 20 CBGD CC[C@]1(C(=O)NNC(=O)COCCOC)CCNC1 1577198187 GUOQKMWZCHJSIE-LBPRGKRZSA-N 273.333 -0.814 50 20 CBGD O=C(O)Cc1ccc(NNC(=O)[C@@]2(O)CCOC2)cc1 1602136024 FMMOCBMGHXYBJI-CYBMUJFWSA-N 280.280 -0.092 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NN(C)C(=O)OC(C)(C)C 1604433696 GRULFWLHSWTXJJ-ZCFIWIBFSA-N 262.262 -0.016 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccccc1C(=O)O 1610140857 OCYUXOUUQYFCJE-UHFFFAOYSA-N 273.270 -0.493 50 20 CBGD O=C(CO)NN=Cc1cccn2c(C(=O)O)cnc12 1776052646 DJAHMGZPLRMOEY-UHFFFAOYSA-N 262.225 -0.525 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1 8392168 BKOHHHTWWRUNJU-UHFFFAOYSA-N 272.264 -0.402 50 20 CBGD CN1C[C@H](C(=O)NNC(=O)c2ccccc2)CC1=O 75536627 DJOASPFWOVBOFZ-SNVBAGLBSA-N 261.281 -0.074 50 20 CBGD NC(=O)C1(NCC(=O)NNC(=O)C2CC2)CCCCC1 122914269 LVDGCXGHUKMJPG-UHFFFAOYSA-N 282.344 -0.678 50 20 CBGD COc1cc(C(=O)NNC(=O)c2cc(C)n[nH]2)on1 128237060 XCYXEINCTUMNEV-UHFFFAOYSA-N 265.229 -0.210 50 20 CBGD NC(=O)[C@@H]1CN(CCI)CCO1 190847934 ONDWHGGJELBPIW-LURJTMIESA-N 284.097 -0.393 50 20 CBGD COc1ccc(C=NNC(=O)C(N)=O)cc1OC 254865669 ROWYZGYYMNDJMZ-UHFFFAOYSA-N 251.242 -0.361 50 20 CBGD CC[C@@H](SC)C(=O)NNC(=O)C(=O)N1CCCC1 269459005 FYWGJEBTMOVDRE-MRVPVSSYSA-N 273.358 -0.102 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1nc(C)cc(OC)n1 270349441 HEFAAEGDVOOMSM-UHFFFAOYSA-N 297.315 -0.658 50 20 CBGD CC(=O)OC(C)(C)C(=O)NNC(=O)c1cc(C)n[nH]1 275725445 SBLIYMPIGORXNX-UHFFFAOYSA-N 268.273 -0.179 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 298208889 MXUKFSANTGXLHH-NSHDSACASA-N 291.307 -0.200 50 20 CBGD O=C(NNC(=O)[C@H]1CN2CCCN1CC2)c1cccnc1 367162061 XDCDROZSVUPAEY-GFCCVEGCSA-N 289.339 -0.768 50 20 CBGD Cc1nc(CCNC(=O)c2cccc(B(O)O)c2)no1 584942011 PITIWKCXWLSKJR-UHFFFAOYSA-N 275.073 -0.970 50 20 CBGD COCCN(CCNCc1ccc(B(O)O)cc1)C1CC1 585019719 GNUZORNFSSOVHN-UHFFFAOYSA-N 292.188 -0.433 50 20 CBGD OB(O)c1cccc(CNCCn2cnnc2C2CC2)c1 585033295 CNIGEKLBYZNPTF-UHFFFAOYSA-N 286.144 -0.375 50 20 CBGD C[C@@H]1CCCN1CCNCc1ccc(B(O)O)cc1 585033661 INLAGTROUUUCSL-GFCCVEGCSA-N 262.162 -0.060 50 20 CBGD Cn1ccc(CNCc2ccc(B(O)O)cc2F)n1 585035380 SVXAIPPMXFNGNC-UHFFFAOYSA-N 263.081 -0.471 50 20 CBGD OB(O)c1ccc(CNCc2nccc(C(F)F)n2)o1 585041291 NLOAAHDJXVLLBB-UHFFFAOYSA-N 283.043 -0.023 50 20 CBGD C[C@](CO)(CCF)NCc1cccc(B(O)O)c1 585050437 YTUBAYMYXLXODV-GFCCVEGCSA-N 255.098 -0.433 50 20 CBGD O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCB(O)O 585060147 ABRXYCFWOQJFIS-SNVBAGLBSA-N 276.101 -0.294 50 20 CBGD COc1ccc2[nH]cc(CC(=O)NCB(O)O)c2c1 585061133 LRUSPAMMQLIOPX-UHFFFAOYSA-N 262.074 -0.153 50 20 CBGD O=C(NCB(O)O)[C@H]1CCN(c2ccc(F)cc2)C1=O 585062672 VMCJXUSZMYYCIO-SNVBAGLBSA-N 280.064 -0.693 50 20 CBGD CCCC[C@H](NC(N)=O)C(=O)NNC(=O)Cc1cc[nH]n1 730091778 VMUGXROKKTZIKC-VIFPVBQESA-N 296.331 -0.673 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)c1ncccn1 747428209 KCXGMBXTPARVEP-UHFFFAOYSA-N 257.253 -0.125 50 20 CBGD CNC(=O)Cn1nc(NC(=O)NNC(C)=O)cc1C 765229129 OTGQDOJKRDKKCF-UHFFFAOYSA-N 268.277 -0.890 50 20 CBGD CCCCNC(=O)NNC(=O)C(=O)NCC(F)F 767723609 RDIFTYFJKPIZOI-UHFFFAOYSA-N 266.248 -0.502 50 20 CBGD O=C(CC(=O)NNC(=O)C1CC1)NCC(F)(F)F 779642315 QFGWQSXFWXVRLS-UHFFFAOYSA-N 267.207 -0.388 50 20 CBGD CS(=O)(=O)N1CCC[C@H]1C(=O)NN=c1cc[nH]cc1 780756192 BQBQLDTWJRJKTQ-JTQLQIEISA-N 284.341 -0.629 50 20 CBGD Cn1nncc1C(=O)NNC(=O)Cc1cn2ccccc2n1 798457929 GNMCFUQATKJZAM-UHFFFAOYSA-N 299.294 -0.534 50 20 CBGD CCN1C[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2)CC1=O 802023228 OJTJRLACQNMWKV-VIFPVBQESA-N 291.311 -0.475 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cn(C)nn1 808664486 ZCUKKMQFIMPLPS-MRVPVSSYSA-N 297.315 -0.446 50 20 CBGD COC[C@]1(C(=O)O)CCCN1CC(=O)NNC(=O)C1CC1 818329598 ZUVQTKCUAWIVNG-ZDUSSCGKSA-N 299.327 -0.891 50 20 CBGD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)CC1CC1 819140133 CUPLBJXLHDVECU-RDDDGLTNSA-N 283.328 -0.791 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCC[C@@H](n2ccnn2)C1 823468776 KHHYLGLGTVZOCE-LLVKDONJSA-N 294.359 -0.282 50 20 CBGD CCC(=O)N[C@H](CCSC)C(=O)NN(CC)CCO 823852502 JAGANXPNHXKTHQ-SNVBAGLBSA-N 291.417 -0.020 50 20 CBGD CC(=NNC(=O)N(C)C)c1cn(CC(=O)O)nn1 825798758 WVECSDFOLKDSFL-UHFFFAOYSA-N 254.250 -0.642 50 20 CBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)C1CCOCC1 829557588 MHMUJPRBQQFEJA-NXEZZACHSA-N 284.312 -0.240 50 20 CBGD O=C(NNC(=O)[C@@H]1CN2CCCN1CC2)[C@@H]1CCCCO1 833242260 JDJGZCGJBLOLPY-RYUDHWBXSA-N 296.371 -0.907 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H](C)C(=O)O)n1 842649805 IBIVIAWPRFLBHY-LURJTMIESA-N 254.246 -0.043 50 20 CBGD C=CCNC(=S)NNC(=O)Cc1nc(C2CC2)nn1C 843752585 VVCQXJKBEFSGCE-UHFFFAOYSA-N 294.384 -0.084 50 20 CBGD COC(=O)C12CC(C(=O)NNC(=O)NC3CC3)(C1)C2 843774537 CAUQDIQCDKPOPA-UHFFFAOYSA-N 267.285 -0.178 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cnc2cccnn12 845335194 BWUOZURUFHPUJR-UHFFFAOYSA-N 290.283 -0.584 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)N1CCCOCC1 845911050 PZYNGZWFXNUWHX-UHFFFAOYSA-N 280.350 -0.881 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H]1CCCS1(=O)=O 847395441 VFVAXMRONXDJFP-ZETCQYMHSA-N 263.319 -0.696 50 20 CBGD CCn1cc(CNC(=O)NNc2ccncn2)nn1 852537069 PCEAWRDNZIIFLA-UHFFFAOYSA-N 262.277 -0.086 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@]1(O)CCOC1 854286320 PZCQPGAMLYBFML-NSHDSACASA-N 291.373 -0.988 50 20 CBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)CC1CC1 854665964 JTEUHMRCCYIYND-ZETCQYMHSA-N 277.346 -0.738 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H](c1cncn1C)N(C)C 854920479 PMBVBEHWFRQAQO-VIFPVBQESA-N 284.389 -0.510 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@@H]1NC(=O)O[C@@H]1C)C1CC1 855099547 IHTIJMHHRJVHDB-SHYZEUOFSA-N 286.357 -0.223 50 20 CBGD CN(C)CCCCC(=O)NNC(=O)c1cc[nH]n1 855358523 MRTGJIRQZJYLQB-UHFFFAOYSA-N 253.306 -0.097 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=O)c1cccc(F)n1 856426802 IVSFSBWIXMMAIG-MRVPVSSYSA-N 271.248 -0.357 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cn(C2CC2)nn1 860030749 URAGYTWXDMDMAH-SSDOTTSWSA-N 295.299 -0.284 50 20 CBGD C#CCN1CCC(C(=O)NNC(=O)c2cn[nH]c2)CC1 862474495 MMXCJDNJMIVZTM-UHFFFAOYSA-N 275.312 -0.484 50 20 CBGD Cn1nncc1S(=O)(=O)NNC(=O)CC(C)(C)C 863404347 UWCLBHYGCYVZPG-UHFFFAOYSA-N 275.334 -0.439 50 20 CBGD C[C@@H]1COCCCN1C(=O)c1cccc(B(O)O)c1 863875600 BYSPRVXNNRGPCT-SNVBAGLBSA-N 263.102 -0.383 50 20 CBGD CCC(CC)(NC(=O)c1ccc(B(O)O)cc1)C(=O)OC 863881989 WCISCRLBIKCLHP-UHFFFAOYSA-N 293.128 -0.172 50 20 CBGD CC1(C)C[C@@](C)(NC(=O)c2ccc(B(O)O)cc2)C(=O)O1 863883733 KZMQRGDSEXYEOU-CQSZACIVSA-N 291.112 -0.420 50 20 CBGD C=C(C)CNC(=S)NNC(=O)COCCOC 865244447 PUCCGXYJLZUILL-UHFFFAOYSA-N 261.347 -0.279 50 20 CBGD O=C(Cn1cncn1)NNC(=O)c1cccc([N+](=O)[O-])c1 866688688 WLNJLIUMXGDBJK-UHFFFAOYSA-N 290.239 -0.353 50 20 CBGD COC(=O)N(C)NC(=O)N[C@H](C)CN1CCOCC1 875074014 KWBZIPICWZXBNI-SECBINFHSA-N 274.321 -0.381 50 20 CBGD C[C@@H](O)CN(C)NC(=O)C1(S(C)(=O)=O)CCC1 910150330 PTKQACJQGJDAGN-MRVPVSSYSA-N 264.347 -0.703 50 20 CBGD O=C(NC1CSC1)c1cc(B(O)O)ccc1F 912818243 JVUAOYNRKHWMLZ-UHFFFAOYSA-N 255.079 -0.649 50 20 CBGD Cc1cc(C)nc(NNC(=O)Cn2cnc([N+](=O)[O-])n2)n1 916735136 IIYFIEVNPDLTLR-UHFFFAOYSA-N 292.259 -0.264 50 20 CBGD COC(=O)N(C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1117184826 KOYHTCLHCLKYPV-UHFFFAOYSA-N 284.228 -0.514 50 20 CBGD Cc1nn(C)cc1CCC(=O)NNC(=O)CN(C)C 1251886109 ORPSUNGUICLYAI-UHFFFAOYSA-N 267.333 -0.630 50 20 CBGD O=C(NNc1nc2ccccn2n1)[C@@H]1CCS(=O)(=O)C1 1255698486 DXQOKVPXFMCZNB-MRVPVSSYSA-N 295.324 -0.393 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C1CCOCC1 1318666743 VTINLFYROMTZHJ-UHFFFAOYSA-N 285.344 -0.135 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CO[C@H]1CCOC1 1320374616 NQAXSEOCRHWVOT-IUCAKERBSA-N 288.300 -0.719 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1cn(C)c(C)n1 1320526550 WUSAUXWADJIENH-UHFFFAOYSA-N 275.334 -0.417 50 20 CBGD O=C(C[C@@H]1CCC(=O)N1)NNC(=O)NCC1CC1 1327862406 JDBWEOHVMOOBFB-QMMMGPOBSA-N 254.290 -0.605 50 20 CBGD COC/C(C)=C/C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1330108231 NNOIAKCZSKEVFY-IVGLGHLBSA-N 255.274 -0.995 50 20 CBGD Cn1cnc(/C=C/C(=O)NNC(=O)CN2CCCC2=O)c1 1342486080 AVFUPQAAYCPPMN-SNAWJCMRSA-N 291.311 -0.797 50 20 CBGD COC(=O)CC[C@@H](N)C(=O)NNC(=O)c1ccc[nH]1 1578809994 UNUSNMKJUXGHDV-SSDOTTSWSA-N 268.273 -0.944 50 20 CBGD N[C@H](Cc1cc2ccccc2o1)C(=O)NNC(=O)CO 1580134078 HKAHPOGPUMIUPJ-SNVBAGLBSA-N 277.280 -0.558 50 20 CBGD O=C(NNC(=O)C1(C2(O)CNC2)CCC1)c1ccc[nH]1 1580733286 QWWWRAWNLBXXNZ-UHFFFAOYSA-N 278.312 -0.720 50 20 CBGD O=C(O)C1=NO[C@@H](C(=O)NNc2ncc(Cl)cn2)C1 1594890386 RFVIXMWDRSKNMD-ZCFIWIBFSA-N 285.647 -0.197 50 20 CBGD CC(C)OC1(CNC(=O)NNC(=O)C(=O)O)CCC1 1603914370 WLFYSCQZCAOPIU-UHFFFAOYSA-N 273.289 -0.251 50 20 CBGD O=C(NNC(=O)[C@@H](C(=O)O)C1CCCC1)c1cnn[nH]1 1605814645 MAHPSPJZPYHLIR-QMMMGPOBSA-N 281.272 -0.543 50 20 CBGD O=C(Cn1cc(C(=O)O)nn1)NNc1ncncc1F 1608376430 CUOJYFLKJAPQHK-UHFFFAOYSA-N 281.207 -0.951 50 20 CBGD O=C(NCCNC(=O)C1CC1)NNc1cccnn1 77346864 COGUXSOBEAWYLI-UHFFFAOYSA-N 264.289 -0.371 50 20 CBGD CN(C)CC(=O)NNC(=O)Cc1ccc(OCC#N)cc1 113427100 RCRIAFZABYYOFW-UHFFFAOYSA-N 290.323 -0.160 50 20 CBGD CN(C)CCN1C[C@H](C(=O)NNc2ccncc2)CC1=O 183007979 OJNUMDUHGDXYNA-LLVKDONJSA-N 291.355 -0.065 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1cc(Cl)ccn1 272448563 JDUYZXQVGUZUTA-UHFFFAOYSA-N 278.721 -0.273 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCO1)c1cc([N+](=O)[O-])[nH]n1 294007132 MMNDZCJTIPMRRX-LURJTMIESA-N 269.217 -0.742 50 20 CBGD C[C@H](O)[C@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 584965476 RKBLCILDQWPPFF-UWVGGRQHSA-N 295.119 -0.262 50 20 CBGD Cc1nc([C@@H](C)NC(=O)c2ccc(B(O)O)cc2)n[nH]1 584989897 XLMDBFOFGGFMTC-SSDOTTSWSA-N 274.089 -0.716 50 20 CBGD CCC1(CO)CN(C(=O)c2ccc(B(O)O)cc2)C1 584999722 HZICDYRWILDOJH-UHFFFAOYSA-N 263.102 -0.789 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H]2[C@H](C1)C2(F)F 585004783 NCJHFGZTLWKCFJ-OCAPTIKFSA-N 285.030 -0.157 50 20 CBGD C[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C[C@@H]1CO 585010014 GUFMJOMTEOTUOT-CMPLNLGQSA-N 277.129 -0.543 50 20 CBGD CCN1CCC[C@H]1CNCc1ccccc1B(O)O 585016570 QXWALSSAHFNYSY-ZDUSSCGKSA-N 262.162 -0.060 50 20 CBGD OC[C@H](CNCc1ccc(B(O)O)cc1F)C1CC1 585041730 UJKRTCULSASMAP-NSHDSACASA-N 267.109 -0.386 50 20 CBGD CCOc1cccc([N+](=O)[O-])c1C(=O)NCB(O)O 585063043 RIQYSMCRYPUUDG-UHFFFAOYSA-N 268.034 -0.265 50 20 CBGD CCOC(=O)NNC(=O)C1(C(=O)NC2CC2)CC1 749403353 JPNKBEHHKFMUBF-UHFFFAOYSA-N 255.274 -0.178 50 20 CBGD Cc1ccc(C(=O)NNS(=O)(=O)c2cn(C)cn2)o1 753086138 PSSJUSVEOQRBKG-UHFFFAOYSA-N 284.297 -0.055 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1cnc(C)s1 754749514 CPPLHJOYVYRMTE-UHFFFAOYSA-N 264.332 -0.036 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 757710564 ZXGUOTHYSQHNLS-UHFFFAOYSA-N 299.308 -0.839 50 20 CBGD Cn1ncc(C(=O)NNC(=O)c2ccncc2)c1N 759369075 GPLFDWHYTGQXRI-UHFFFAOYSA-N 260.257 -0.528 50 20 CBGD COc1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)cn1 764143459 QUXDJSZIWVWVNI-UHFFFAOYSA-N 292.295 -0.024 50 20 CBGD COC(=O)c1cnc(C(=O)NNC(=O)C2CC2)cn1 770467088 UTCYGFROOAKKFH-UHFFFAOYSA-N 264.241 -0.566 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(CCO)CC1 772368687 WTROLNRCQHASQA-MRVPVSSYSA-N 272.301 -0.362 50 20 CBGD COC(=O)CNC(=O)NN=C1CCCS(=O)(=O)C1 779823150 KULRYZRZPJVOEN-UHFFFAOYSA-N 277.302 -0.977 50 20 CBGD CC(C)n1cc(C(=O)NNC(=O)C(=O)N2CCCC2)cn1 786852353 UGZXESZIFTVUKA-UHFFFAOYSA-N 293.327 -0.153 50 20 CBGD CCOC(=O)NCC(=O)NNC(=O)NCC1CC1 793206753 JFRDYHSKXVGZEM-UHFFFAOYSA-N 258.278 -0.527 50 20 CBGD CCCNC(=O)NNC(=O)C(C)(C)N1CCOCC1 801140490 NOZIBSODMLTRBD-UHFFFAOYSA-N 272.349 -0.162 50 20 CBGD Cc1ccc(C(=O)NNC(=O)c2cnn(C)n2)c(O)c1 806526472 DLVKJKQDKWRTSC-UHFFFAOYSA-N 275.268 -0.096 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccc2nc(O)[nH]c2c1 812379121 RMBZVVBGNQNYFF-UHFFFAOYSA-N 261.241 -0.406 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccc(N)nc1 814835726 ZSZJXNFMLNSJMB-QMMMGPOBSA-N 299.356 -0.558 50 20 CBGD COCCOCCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 825769770 DGYQWUMNNKOKHD-UWVGGRQHSA-N 289.332 -0.595 50 20 CBGD CCN1C[C@H](NC(=O)NNc2nccc(OC)n2)CC1=O 838678277 ZJOVLXZQXVPTFU-MRVPVSSYSA-N 294.315 -0.268 50 20 CBGD Cc1cnn(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1 843648789 ZGKQECLHRBQDOJ-UWVGGRQHSA-N 266.301 -0.236 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)C[C@@H]1COCCO1 852497644 ZCCMROVLIQAPPQ-VHSXEESVSA-N 273.333 -0.721 50 20 CBGD O=C(NNC(=O)[C@H]1CCNC1=O)NC1CCCCC1 854192035 DUWLUDKWJKAFCW-VIFPVBQESA-N 268.317 -0.214 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2c(F)ccnc2F)CC1 854382911 PDTUVMVPXNQDQU-UHFFFAOYSA-N 299.281 -0.038 50 20 CBGD COC(=O)c1cc(NNC(=O)[C@@H]2CC(=O)N2)ccc1F 854854361 UAEKGAWTGYLKCQ-VIFPVBQESA-N 281.243 -0.056 50 20 CBGD O=C(NCc1ccco1)NNC(=O)[C@H]1CCOC(=O)N1 858782557 UESKCCFZLPJLGE-MRVPVSSYSA-N 282.256 -0.392 50 20 CBGD CC(C)(C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(F)F 862459005 LMLDTTABIUBHBF-YFKPBYRVSA-N 263.244 -0.296 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(O)c(F)c2)N1 862462645 ZHKOAUBSSLBWQR-QMMMGPOBSA-N 281.243 -0.429 50 20 CBGD CC(C)C[C@H](C(N)=O)C(=O)NNC(=O)c1cn[nH]c1 862469975 WVISIPNXPBBKRN-MRVPVSSYSA-N 267.289 -0.682 50 20 CBGD COCCn1cc(C(=O)NNC(=O)N2CCOCC2)cn1 865045856 AWNIGYSQMKADKG-UHFFFAOYSA-N 297.315 -0.784 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCC2(O)CCC2)cn1 865936100 FQLJXEMUYONTNZ-UHFFFAOYSA-N 266.301 -0.124 50 20 CBGD CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)COCCOC 869909328 QZJHZDGEZHDXML-DTWKUNHWSA-N 260.290 -0.778 50 20 CBGD COC(=O)N(C)NC(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 875400253 KSKXXIXIXTZIFH-IUCAKERBSA-N 274.321 -0.382 50 20 CBGD C[C@H](CCNCc1ccccc1B(O)O)N(C)C 895289994 BIXZLXYWFMIBQK-LLVKDONJSA-N 250.151 -0.204 50 20 CBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@H]2C[C@@H](O)C2)C[C@H](C)O1 895510918 JIYZKYIHTVDKSN-FIQHERPVSA-N 299.371 -0.596 50 20 CBGD CC(=O)NNC(=O)c1cnc2ccc(C)cn2c1=O 913465851 AJASGJVQZVPURL-UHFFFAOYSA-N 260.253 -0.216 50 20 CBGD CC(=O)NCCNC(=O)NNC(=O)C1CCCC1 915894830 QJFOBVRRXJZWFB-UHFFFAOYSA-N 256.306 -0.357 50 20 CBGD Cc1c(C(=O)NNC(=O)Cc2cc[nH]n2)cnn1C 1116004128 GVGMESBJMGSCLX-UHFFFAOYSA-N 262.273 -0.545 50 20 CBGD CC(=NNC(=O)CCO)c1cccc(-n2cnnn2)c1 1116204852 HVHFISYJRWLABF-UHFFFAOYSA-N 274.284 -0.115 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2ccccn2)N1 1118863901 GEBPVOIJZHWKDU-VIFPVBQESA-N 277.284 -0.809 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)c1cc(O)ncn1 1261817219 IVINTOVHRHIVGJ-UHFFFAOYSA-N 279.178 -0.312 50 20 CBGD CC(C)N1CCC(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 1261842227 QSOACQTVZANKRV-LLVKDONJSA-N 296.371 -0.467 50 20 CBGD CN(C)CCNC(=S)NNC(=O)c1cnn(C)c1 1321908992 DXPMHUZNDZDPCR-UHFFFAOYSA-N 270.362 -0.909 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H](C)c1nc(C)no1 1327152847 IWDWNGLWPYJJKT-ZCFIWIBFSA-N 271.277 -0.194 50 20 CBGD CC(=O)NCCCNC(=O)NNC(=O)c1cccc(F)n1 1327555627 UBCJXWLVQDSKMA-UHFFFAOYSA-N 297.290 -0.309 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccc[n+]([O-])c1 1329181990 FVKQSWQHBXLXIK-UHFFFAOYSA-N 297.311 -0.130 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cn(C)cn1 1330011501 BNQYZMWQOWWPHL-SSDOTTSWSA-N 268.273 -0.477 50 20 CBGD O=C(NNC(=O)c1ccccc1)N[C@H]1CCOC1=O 1351369202 ROHFETRAMMYUSJ-VIFPVBQESA-N 263.253 -0.054 50 20 CBGD O=C(O)CCCCC(=O)NNC(=O)c1cnsn1 1574699908 ZTECCUDOBQIGPU-UHFFFAOYSA-N 272.286 -0.056 50 20 CBGD N[C@H]1CC[C@H](C(=O)NNC(=O)c2ccnnc2)CC1 1580415309 HUCYUIQJFARBLP-CZMCAQCFSA-N 263.301 -0.245 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@@H]1[C@H]2COC[C@H]21 1593163106 JUOMCOYCQABRMO-MBTKJCJQSA-N 287.283 -0.403 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNc1cc(Cl)nc(C)n1 1593911757 RKCABBBAWUMLKU-ZETCQYMHSA-N 274.664 -0.019 50 20 CBGD Cc1ccc(NNC(=O)NC[C@H]2CCO[C@H]2C(=O)O)nn1 1600461549 OQCJMQVFAPOBRA-PSASIEDQSA-N 295.299 -0.099 50 20 CBGD O=C(O)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)c1cccc(B(O)O)c1 1601790714 QTRXDVJKJAUBLR-IJLUTSLNSA-N 289.096 -0.556 50 20 CBGD CCN(CCO)NC(=O)Cc1ccc(-c2nn[nH]n2)cc1 1604318812 ICSBBBXRKYALTA-UHFFFAOYSA-N 290.327 -0.245 50 20 CBGD O=C(NCC1(C2CC2)CCC1)NNC(=O)C(=O)O 1610691698 YGIJXSPAYNIHEK-UHFFFAOYSA-N 255.274 -0.018 50 20 CBGD CCNC(=O)NNC(=O)Cn1nnc(-c2ccccc2)n1 43468979 VLGFZONPBJTVIK-UHFFFAOYSA-N 289.299 -0.310 50 20 CBGD CCNC(=O)NNC(=O)CN1C(=O)NC(CC)(CC)C1=O 65191090 DMRHKUJSOABRIH-UHFFFAOYSA-N 299.331 -0.553 50 20 CBGD Cc1cc(C)nc(NNC(=O)N[C@@H]2CCN(C)C2=O)n1 130018381 PVCDDJIKFKGLLG-SECBINFHSA-N 278.316 -0.050 50 20 CBGD N#C[C@@H]1COCCN1CC(=O)NNC(=O)c1ccccc1 182679064 PHEDYYHAYMKBHP-GFCCVEGCSA-N 288.307 -0.328 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)NC[C@H](C)C#N)n1 182833028 LKMLFRRCFROHSD-MRVPVSSYSA-N 278.316 -0.010 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1ccc2c(c1)OCO2 272131559 WUGVQLAHTUCLOE-UHFFFAOYSA-N 287.297 -0.120 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2n[nH]c3c2CCC3)CC1 278766462 XVZANLZCHXZTLQ-UHFFFAOYSA-N 292.343 -0.500 50 20 CBGD O=C(C[C@@H]1CCCC(=O)N1)NNC(=O)c1cccnc1 289134940 OYCVXFVUQPWDTG-JTQLQIEISA-N 276.296 -0.099 50 20 CBGD COc1nccnc1NNC(=O)CCN1CCOC1=O 496437811 SQPIGGNEYDKLGJ-UHFFFAOYSA-N 281.272 -0.229 50 20 CBGD O=C(N[C@H]1CCOC1)c1ccc(B(O)O)c(F)c1 584965100 LLZKLCHUKHLYEU-QMMMGPOBSA-N 253.038 -0.976 50 20 CBGD CC1(C#N)CN(C(=O)c2cc(B(O)O)ccc2F)C1 584984440 VNKQIXIVZXHNNV-UHFFFAOYSA-N 262.049 -0.509 50 20 CBGD C[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C[C@H]1CO 585010957 VFPYMXOMODBCIR-ZJUUUORDSA-N 295.119 -0.404 50 20 CBGD CN(C)CCCCNCc1ccc(B(O)O)cc1F 585019623 PUJUNTZTNVDERP-UHFFFAOYSA-N 268.141 -0.063 50 20 CBGD OB(O)c1ccc(CNCCCOC[C@H]2CCOC2)o1 585025292 QJXLTVMSOUEBMF-LLVKDONJSA-N 283.133 -0.508 50 20 CBGD O=S(=O)(c1ccccn1)N1CC[C@@H](B(O)O)C1 585056756 WJXJXQPYDLNTOX-MRVPVSSYSA-N 256.092 -0.681 50 20 CBGD COc1cc(/C=C/C(=O)NCB(O)O)ccc1F 585063353 XKDKSLUDHMURLS-HWKANZROSA-N 253.038 -0.024 50 20 CBGD CC[C@@H](COC)NC(=O)NNC(=O)c1cnn(C)c1 738503197 PMNWXUSRBNZCQH-VIFPVBQESA-N 269.305 -0.211 50 20 CBGD CC(C)NC(=O)NNC(=O)C(C)(C)NS(C)(=O)=O 742057194 QCQCMKNPNRLHIX-UHFFFAOYSA-N 280.350 -0.947 50 20 CBGD CC(C)C(=O)NNC(=O)C[C@H]1SC(=N)NC1=O 742476562 FUWPJERMDVAOHG-RXMQYKEDSA-N 258.303 -0.654 50 20 CBGD CCc1nn(C)cc1C(=O)NNC(=O)Cc1cc[nH]n1 755260787 FNWYNDOVRINPCI-UHFFFAOYSA-N 276.300 -0.291 50 20 CBGD Cn1cccc(NC(=O)NNC(=O)Cc2cc[nH]n2)c1=O 756682414 DCMBWACSRDEZFL-UHFFFAOYSA-N 290.283 -0.496 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)c1cc(C)[nH]n1 780996831 LDKSOUPFUNFLHY-UHFFFAOYSA-N 253.262 -0.995 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCC(C)(C)C#N 781954376 SIVMLZAUFGBGNL-SECBINFHSA-N 286.332 -0.082 50 20 CBGD COC1(C=NNC(=O)[C@H](C)NS(C)(=O)=O)CCCC1 790162550 RLBIBOGHBPOUTJ-VIFPVBQESA-N 291.373 -0.015 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)Nc2cnnn2C)n1 809906445 QGGPFTIWHRMODL-UHFFFAOYSA-N 292.303 -0.519 50 20 CBGD C=CCCn1cc(C(=O)NN(C)[C@@H](C)CO)nn1 823912476 HFARODXRLXGRIQ-VIFPVBQESA-N 253.306 -0.188 50 20 CBGD O=C(NNc1ncc(F)cn1)c1c[nH]c(-c2nn[nH]n2)c1 826449916 OPNXFNBFDYOQEM-UHFFFAOYSA-N 289.234 -0.119 50 20 CBGD O=C(NNC(=O)[C@]1(O)CCOC1)NC1CCCCC1 840237603 NEMNKLWQXGRXBQ-LBPRGKRZSA-N 271.317 -0.199 50 20 CBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)NCC1CC1 841385225 UVCHKVFSMSLTOH-FSPLSTOPSA-N 256.262 -0.776 50 20 CBGD CSSCCNC(=O)NCC(=O)N1CCNCC1 841900705 KJDIKXUABSZUCJ-UHFFFAOYSA-N 292.430 -0.271 50 20 CBGD C[C@H]1C[C@H](CN)CN1CC(=O)NNC(=O)C1CC1 843363066 YGFLENDQBVPJAH-DTWKUNHWSA-N 254.334 -0.787 50 20 CBGD C=C[C@@H](C)ONC(=O)NN[C@]1(C)CCS(=O)(=O)C1 845637639 CZBIJAWSSQUHKG-PSASIEDQSA-N 277.346 -0.127 50 20 CBGD Cc1nn(CC(=O)NNC(=O)C(C)(C)C)c(=O)n1C 847346599 ZKDLLBMXAYIOJW-UHFFFAOYSA-N 269.305 -0.916 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ccc(C#N)n2C)CC1 854383216 YUSQJJKZGVSNNV-UHFFFAOYSA-N 290.327 -0.501 50 20 CBGD C[C@H](Sc1nncn1C)C(=O)NNC(=O)c1cc[nH]n1 855359654 ZVBGPRHZSWLHEZ-LURJTMIESA-N 295.328 -0.520 50 20 CBGD O=C(NNc1ncc(F)cc1F)[C@@]1(O)CCOC1 857533838 OCDGIPUAXSDBSS-SNVBAGLBSA-N 259.212 -0.046 50 20 CBGD COC(=O)COCCNC(=O)NNC(=O)CC(C)C 858835307 JEOSPXFAHYXGFT-UHFFFAOYSA-N 275.305 -0.448 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)CC1(C)COC1 859571152 PEMMJMZEHSHKGA-VIFPVBQESA-N 257.334 -0.099 50 20 CBGD CCCN(C)CC(=O)NNC(=O)C1CCOCC1 883063171 GMGBSDOQRRDJSH-UHFFFAOYSA-N 257.334 -0.098 50 20 CBGD CNC(=S)N(C)NC(=O)c1nc(OC)cc(OC)n1 909993082 KDABGTCQPXXJOW-UHFFFAOYSA-N 285.329 -0.425 50 20 CBGD CCCN1C[C@H](C(=O)NN(C)C[C@H](C)O)CC1=O 910145937 GHPDTVTYQYGIKW-VHSXEESVSA-N 257.334 -0.411 50 20 CBGD NC(=O)CSCC(=O)NNC(=O)CC(F)(F)F 1118703471 QKTKSKCXJZFMIR-UHFFFAOYSA-N 273.236 -0.695 50 20 CBGD Cc1ccc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 1118884463 ZFHIMRFTZYUVEA-JTQLQIEISA-N 276.296 -0.641 50 20 CBGD C#CCCCC(=O)NNC(=O)C(=O)NCC(F)F 1119910677 BIBYGRPJKZWSSS-UHFFFAOYSA-N 261.228 -0.681 50 20 CBGD O=C(NNC(=O)c1cncs1)C(=O)N1CCCC1 1318095073 MCTMZFGTHYLQEL-UHFFFAOYSA-N 268.298 -0.474 50 20 CBGD Cc1ccc(C(=O)NNC(=O)Cn2cc([C@@H](C)O)nn2)o1 1319719712 PDSZYQUWQSKJPW-MRVPVSSYSA-N 293.283 -0.306 50 20 CBGD C[S@@](=O)Cc1cccc(C(=O)NNC(=O)CO)c1 1319869324 GGRSUEIVJBUNNT-GOSISDBHSA-N 270.310 -0.682 50 20 CBGD O=C(CCl)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 1324706396 JPVIMXIDSCSTKO-SNVBAGLBSA-N 289.763 -0.726 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@]1(F)CCOC1 1329537383 CPKBBABBDAYURK-RNSXUZJQSA-N 260.265 -0.313 50 20 CBGD Cc1ncncc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C 1329539017 MBZDZYXRUQVTPI-IUCAKERBSA-N 264.285 -0.029 50 20 CBGD CCc1nn(C)cc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331806044 MDFJADAAXDLWDD-VIFPVBQESA-N 279.300 -0.978 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H]1CCC[C@@H]1C(=O)OC 1346244244 USAZOOCPMPLVKU-GUBZILKMSA-N 285.344 -0.136 50 20 CBGD CC(C)CC(=O)NNC(=O)N[C@H](C)[C@@H]1CN(C)CCN1C 1519901580 CLTLXTGJVAXLPX-NEPJUHHUSA-N 299.419 -0.003 50 20 CBGD CC(C)C[C@@H](N)CC(=O)NNC(=O)c1cn[nH]c1 1575631857 XARMYWCTRJPQKL-SECBINFHSA-N 253.306 -0.066 50 20 CBGD C[C@@]1(C(=O)NNC(=O)Cc2cccnc2)C[C@@H](N)CCO1 1576350490 PKIMUUIKAMVOBG-FZMZJTMJSA-N 292.339 -0.332 50 20 CBGD C[C@@H]1[C@H](NCc2cccc(B(O)O)c2)C[C@H]2CC[C@H]1N2 1576588156 QWTIQMVENVDFRZ-CJYSPXJISA-N 274.173 -0.015 50 20 CBGD COc1ccnc(NNC(=O)NCCOCCCN)n1 1579317334 RAUWFBSGVLRLID-UHFFFAOYSA-N 284.320 -0.523 50 20 CBGD O=C(O)C1=NO[C@@H](C(=O)NNc2cccc(F)n2)C1 1594890818 VECNCFQUIVWFRD-ZCFIWIBFSA-N 268.204 -0.107 50 20 CBGD COc1c(NC(=O)NNC(=O)CCO)cccc1C(=O)O 1599339636 TYQORWYOFXYPND-UHFFFAOYSA-N 297.267 -0.072 50 20 CBGD NC(=O)NCC(=O)NNc1ccccc1C(=O)O 1601157780 NIFKZOYAGIJSQT-UHFFFAOYSA-N 252.230 -0.504 50 20 CBGD Cc1cccc(NC(=O)C(=O)NNC(=O)C(=O)O)c1Cl 1610524190 BEESASPLRSBKTH-UHFFFAOYSA-N 299.670 -0.181 50 20 CBGD O=C(O)CCCNC(=S)NNC(=O)c1ccc[nH]1 1610769925 FAZYADQXSNOCIY-UHFFFAOYSA-N 270.314 -0.012 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC(C(N)=O)CC1 109824766 CDPWOADZKOXJIP-SNVBAGLBSA-N 298.387 -0.234 50 20 CBGD CSCCNC(=S)NNC(=O)C1CN(C(C)=O)C1 276432528 FWZGCVTWKHVHLB-UHFFFAOYSA-N 290.414 -0.677 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc2oc(=O)[nH]c2c1 287658061 KNPVHAUDZAERFJ-UHFFFAOYSA-N 278.268 -0.556 50 20 CBGD COC(=O)NNS(=O)(=O)c1cncc(C(=O)OC)c1 495853629 AOCBAGQVNOBJID-UHFFFAOYSA-N 289.269 -0.583 50 20 CBGD C[C@@H]1CN(C)CC[C@H]1NC(=O)c1cccc(B(O)O)c1 584937928 RJDIQTPEGUIIHN-ZWNOBZJWSA-N 276.145 -0.564 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCSC[C@H]1CCO 584966082 URTWAOIZUQYHDY-GFCCVEGCSA-N 295.169 -0.694 50 20 CBGD C[C@H]1CC[C@H](CO)CN1C(=O)c1ccc(B(O)O)c(F)c1 584967848 NPMDJUVEKMBNIH-UWVGGRQHSA-N 295.119 -0.262 50 20 CBGD CO[C@@H]1CCC[C@H]1CNC(=O)c1ccc(B(O)O)cc1 584970498 CWUNYHPJHJFVGT-WCQYABFASA-N 277.129 -0.089 50 20 CBGD C[C@H](O)CCCNC(=O)c1cc(B(O)O)ccc1F 584982333 GUKMCQADYRJICL-QMMMGPOBSA-N 269.081 -0.604 50 20 CBGD C[C@H]1COCCN1C[C@@H](C)NCc1ccc(B(O)O)o1 585021433 KJQKWTXPZTYOLD-MNOVXSKESA-N 282.149 -0.842 50 20 CBGD CC[C@H](C)[C@@H](O)CNCc1cccc(B(O)O)c1 585023040 BOTUEJRLKLLXLO-GWCFXTLKSA-N 251.135 -0.137 50 20 CBGD CC[C@@H](C)[C@@H](O)CNCc1ccc(B(O)O)cc1 585023951 OMMHVZXISZAIGO-MFKMUULPSA-N 251.135 -0.137 50 20 CBGD Cc1c(CCNCc2ccc(B(O)O)cc2F)cnn1C 585027971 CEFYTCDWKXGXLH-UHFFFAOYSA-N 291.135 -0.120 50 20 CBGD C[C@H](CNCc1ccc(B(O)O)cc1)[S@@](C)=O 585035167 QMWVQTWDGFGZFS-VVVCHXIZSA-N 255.148 -0.777 50 20 CBGD OB(O)c1ccc(CNCCOC(F)(F)F)o1 585038179 VKOHWOXNDDCMBX-UHFFFAOYSA-N 252.985 -0.415 50 20 CBGD CO[C@H]1COCC[C@@H]1CNCc1ccccc1B(O)O 585043635 PSWDICZUMPLZRY-OCCSQVGLSA-N 279.145 -0.493 50 20 CBGD OC[C@H](NCc1cccc(B(O)O)c1)[C@H]1CCCOC1 585046050 LXZPFMBJJZNVBB-JSGCOSHPSA-N 279.145 -0.757 50 20 CBGD OB(O)[C@@H]1CCN(Cc2cc3c(cn2)OCO3)C1 585138797 AGHATMMKOPBXPH-MRVPVSSYSA-N 250.063 -0.141 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)C[C@H](C)C(=O)O 736847717 NDHKDJIZHLGRFW-YUMQZZPRSA-N 259.306 -0.415 50 20 CBGD COCCn1cc(C=NNC(=O)CN2CCCC2=O)cn1 743430458 ISNQAJNNZIFSME-UHFFFAOYSA-N 293.327 -0.398 50 20 CBGD COc1cc(C)nc(NNC(=O)Cn2cccnc2=O)n1 746623937 PLUOKKIQDNDIPC-UHFFFAOYSA-N 290.283 -0.506 50 20 CBGD CC[C@H](C(=O)NNc1nccn(C)c1=O)N(C)C 754468702 PUGYHNYLBHDESL-MRVPVSSYSA-N 253.306 -0.436 50 20 CBGD CCC[C@@H](C)CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758047102 VMSADBLDJCWFIB-RKDXNWHRSA-N 293.389 -0.102 50 20 CBGD CN(NC(=O)[C@]12CCC(=O)N1CCS2)C(N)=O 778417618 BKIIEGIWQABGQG-SECBINFHSA-N 258.303 -0.906 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)NC1CC1 783617112 ZNWPBDAXUARWFT-OYNCUSHFSA-N 265.313 -0.151 50 20 CBGD COC(=O)[C@@H](CO)NC(=O)/C(C#N)=C\c1ccc(O)cc1 786834236 PSPVDFKEPIXFNN-XTOZHPGHSA-N 290.275 -0.051 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCCCc1cnn[nH]1 787947154 LKFMBDBPNKBTFL-UHFFFAOYSA-N 269.305 -0.564 50 20 CBGD CC(=O)NCC(=O)NCC(=O)NNc1ncccc1C 791222508 LTRGHCCHJKPEGY-UHFFFAOYSA-N 279.300 -0.915 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CCCC(=O)N1 801103790 SVLQIPNOSZXLMC-SSDOTTSWSA-N 256.331 -0.664 50 20 CBGD Nc1nc(C2CCCC2)ncc1C(=O)NNC(=O)CO 807196199 RINHOZAOPYHLRK-UHFFFAOYSA-N 279.300 -0.530 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@](C)(O)C2CCC2)cn1 813456313 CGEIHVNBNIHSMI-LBPRGKRZSA-N 266.301 -0.268 50 20 CBGD O=C(NN=C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 814781960 QGRDZZIJJOPJOJ-NXEZZACHSA-N 274.342 -0.050 50 20 CBGD CCCCNC(=O)NNC(=O)C[C@H]1CCC(=O)N1 823755792 LKXQZFNZJROOBS-MRVPVSSYSA-N 256.306 -0.214 50 20 CBGD CCCCNC(=O)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 825290871 IVZXPFCCTZUMMZ-UHFFFAOYSA-N 292.303 -0.061 50 20 CBGD CC[C@@H]1C(=O)NCCN1CC(=O)NNC(=O)C(C)C 827866078 DWIYPJLKVGHUSE-SECBINFHSA-N 270.333 -1.000 50 20 CBGD COCCO[C@H](C)C(=O)NN[C@@H](C(=O)O)c1cccnc1 831757451 PTKRSAFNBGVSHJ-MWLCHTKSSA-N 297.311 -0.120 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CS(=O)(=O)C1CC1 843964678 FUPUBYLDUHRIEB-APPZFPTMSA-N 290.341 -0.864 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2nn[nH]c2n1 843972227 UGWVJSFLXIQRBG-RQJHMYQMSA-N 290.283 -0.461 50 20 CBGD COc1ccc(NNC(=O)[C@H]2CCS(=O)(=O)N2)nc1 845987948 OJRDDLLQGZAJFA-MRVPVSSYSA-N 286.313 -0.775 50 20 CBGD CNC(=S)N(C)NC(=O)/C(C#N)=C\c1cnn(C)c1 854921812 OHTABQAHBYSGDL-WTKPLQERSA-N 278.341 -0.206 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@@H]1CCNC1=O)C1CC1 855095617 NGYKWSVPBRWLKD-HTRCEHHLSA-N 270.358 -0.584 50 20 CBGD CCC(=O)N1CC[C@@H](C(=O)NNC(=O)c2cc[nH]n2)C1 855357963 WPAFVZBGEKMXFY-MRVPVSSYSA-N 279.300 -0.571 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2ccsc2)N1 858141874 UPQVMVNYLUGHME-QMMMGPOBSA-N 282.325 -0.143 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)C2SCCCS2)N1 862461138 NKADQRMRWXOIRR-ZCFIWIBFSA-N 289.382 -0.391 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21 906418107 SIAALZZHDLBECR-SZEHBUNVSA-N 269.301 -0.422 50 20 CBGD Cc1nc(Cl)cc(NNC(=O)[C@@H]2OCCN(C)C2=O)n1 910942844 AQEYPEYTTZHJEV-VIFPVBQESA-N 299.718 -0.261 50 20 CBGD O=C(N[C@@H]1CCCC12OCCO2)c1cccc(B(O)O)c1 912819161 XWQACEKOAHFYFD-GFCCVEGCSA-N 291.112 -0.608 50 20 CBGD CCCNC(=O)CCNC(=O)NNC(=O)C(C)C 918134631 MSBIFFXRDXALRK-UHFFFAOYSA-N 258.322 -0.111 50 20 CBGD O=C(CCn1ccccc1=O)NNC(=O)NC1CC1 920823415 PKOJJLZLTMUGEP-UHFFFAOYSA-N 264.285 -0.269 50 20 CBGD O=C1CC[C@H](C(=O)NNc2nc(-c3cccnc3)no2)N1 1116036254 BZPDETAMLCMQAQ-MRVPVSSYSA-N 288.267 -0.147 50 20 CBGD Cc1nn(C)c(C)c1OCC(=O)NNc1cnnn1C 1117723652 IQBGQGOCMHLRER-UHFFFAOYSA-N 279.304 -0.312 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1C[C@H]1c1cncn1C 1118712948 ILSAECPCPNYIJO-HTQZYQBOSA-N 267.358 -0.009 50 20 CBGD O=C(CCCN1C(=O)CNC1=O)NNC(=O)NCC1CC1 1251279921 AZKFDWZRVVLQJU-UHFFFAOYSA-N 297.315 -0.941 50 20 CBGD COC(=O)c1occc1C=NNC(=O)[C@H]1CCC(=O)N1 1261833372 VYYOKGRQDPGIRS-MRVPVSSYSA-N 279.252 -0.205 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)CN1C(=O)CNC1=O 1317668645 USZSCFQEGIQHOE-UHFFFAOYSA-N 290.279 -0.692 50 20 CBGD CN(C)c1nccc(NNC(=O)c2ccc(=O)n(C)n2)n1 1322012842 NQEZSCCSKHJKLT-UHFFFAOYSA-N 289.299 -0.607 50 20 CBGD CN1CCC(NC(=S)NNC(=O)c2cnn(C)c2)CC1 1322954793 RELDUOGCPDPNCI-UHFFFAOYSA-N 296.400 -0.377 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1CCOCC1 1326364775 VFFBQOAOZGRXDI-SCZZXKLOSA-N 256.302 -0.015 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@H]1CCCS1(=O)=O 1327066138 IMBHOBHATXPLIG-SNVBAGLBSA-N 297.336 -0.651 50 20 CBGD N#CC1(CS(=O)(=O)N2CC[C@H](B(O)O)C2)CC1 1329291767 GPLRTLGVJJTZRC-QMMMGPOBSA-N 258.108 -0.831 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnc(O)c1 1329547763 NDKVXHYBYMGXRB-IONNQARKSA-N 265.269 -0.027 50 20 CBGD O=C(CCc1ccncc1)NNC(=O)[C@H]1CCC(=O)N1 1335417850 MJDRFMNSTBQGER-SNVBAGLBSA-N 276.296 -0.560 50 20 CBGD C=C(CO)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1347527288 FXMYQGDILIOULS-VIFPVBQESA-N 262.331 -0.973 50 20 CBGD O=C(C[C@@H]1CCOC1)NNC(=O)c1cccnn1 1349767353 QCLCATWMIDFAOF-QMMMGPOBSA-N 250.258 -0.336 50 20 CBGD COC(=O)[C@H]1C[C@@H](C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1 1358353044 GTOUPAAWEPZZHM-AXTSPUMRSA-N 284.312 -0.242 50 20 CBGD CNC[C@H](C)CNC(=O)NNC(=O)c1ccc(=O)n(C)c1 1578625249 KWOUTVGYYFELTB-VIFPVBQESA-N 295.343 -0.815 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cccc(CCC(=O)O)c1 1588514522 DEIMNORLEWKVGC-UHFFFAOYSA-N 293.279 -0.190 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C(=O)O)C(C)C 1588923327 RVXRFOKXZFWODD-ZETCQYMHSA-N 273.289 -0.985 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc(C(=O)O)cc1 1590882970 VAQDHWKURMNLGB-UHFFFAOYSA-N 266.253 -0.083 50 20 CBGD CN1C[C@H](C(=O)NNc2ccc(C(=O)O)c(F)c2)NC1=O 1598559951 MVQJWBLGDQZYHH-SECBINFHSA-N 296.258 -0.009 50 20 CBGD NC(=O)CSCC(=O)NNc1ccc(CC(=O)O)cc1 1601152849 UBNNCBUDCHZEAN-UHFFFAOYSA-N 297.336 -0.025 50 20 CBGD O=C(NC1CCC(C(=O)O)CC1)c1ccc(B(O)O)cc1 1601435980 VVRNWFAUXDUXTE-UHFFFAOYSA-N 291.112 -0.260 50 20 CBGD O=C(NNC(=O)c1cccnn1)c1ccc(C(=O)O)nc1 1601555676 LNNHVTHWRZFXKP-UHFFFAOYSA-N 287.235 -0.355 50 20 CBGD O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cc(B(O)O)ccc1F 1601570696 KPURFLHIQJLNBQ-APPZFPTMSA-N 295.075 -0.511 50 20 CBGD O=C(O)COc1cccc(NC(=O)NNC(=O)CO)c1 1602094493 PSDMGKBCZNYDEH-UHFFFAOYSA-N 283.240 -0.705 50 20 CBGD CC(C)(CCl)CS(=O)(=O)N1CC(O)(C(=O)O)C1 1603612629 DRIKFJUCKUNFKH-UHFFFAOYSA-N 285.749 -0.288 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(C(=O)O)ccn1 1604833782 FXSLGMDAQVWWHF-VXNVDRBHSA-N 293.279 -0.034 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](CN(C)C)C1 114479458 GJEGANJLBLPJSW-WDEREUQCSA-N 270.377 -0.184 50 20 CBGD COc1nccnc1NNC(=O)Cc1ccn(C)n1 132136967 QBCULWKBSVZHLL-UHFFFAOYSA-N 262.273 -0.096 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)c2ccccn2)C1 266780757 MYCYGHBLRROGPO-JTQLQIEISA-N 264.285 -0.827 50 20 CBGD CC(C)(C)OCC(=O)NNc1ccc(C(N)=O)nn1 272261799 XCZIZBWQGGFPDQ-UHFFFAOYSA-N 267.289 -0.166 50 20 CBGD COCCN(C)NC(=O)c1csc(S(N)(=O)=O)c1 288628771 WJEKFYLHVWAXQM-UHFFFAOYSA-N 293.370 -0.382 50 20 CBGD COC(=O)C[C@H](C)C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 294235802 NCALXQWVOPIQSN-CIUDSAMLSA-N 272.301 -0.100 50 20 CBGD CCCC[C@@H](NC(N)=O)C(=O)Nc1cccc(B(O)O)c1 584909725 HUWSXRRQUPNIOF-LLVKDONJSA-N 293.132 -0.468 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@H](CO)C1 584931399 STSAFLCHKPPSFL-JTQLQIEISA-N 263.102 -0.789 50 20 CBGD CC[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)c1nc[nH]n1 584950320 LHVGASKSXDVKCN-SNVBAGLBSA-N 292.079 -0.495 50 20 CBGD C[C@H](CO[C@H]1CCOC1)NC(=O)c1ccc(B(O)O)cc1 584958273 PHPUREDQCUQHPJ-MFKMUULPSA-N 293.128 -0.710 50 20 CBGD CC[C@@H](C)[C@H](O)CNC(=O)c1cccc(B(O)O)c1 584959760 LAFXQDAZKJYIAC-BXKDBHETSA-N 265.118 -0.497 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCN(c3ccccn3)C2)o1 585031540 HAEMBABCKOKMLO-LLVKDONJSA-N 287.128 -0.277 50 20 CBGD C=CC[C@H](CO)CNCc1ccc(B(O)O)cc1F 585035905 ZNSZYOQHVWOEMI-JTQLQIEISA-N 267.109 -0.220 50 20 CBGD Cc1cn(CC(=O)NCB(O)O)nc1C(F)(F)F 585062693 MCQLHCXVBYUVEH-UHFFFAOYSA-N 265.000 -0.661 50 20 CBGD O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@H](B(O)O)C1 585063969 APQCBZGJDDZGDO-QMMMGPOBSA-N 280.045 -0.011 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)c1cccn1C 730272247 AOJBVJNOKXKBFL-LBPRGKRZSA-N 274.324 -0.116 50 20 CBGD CCCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)CN(C)C 733359872 TXFATANFNANQAG-LLVKDONJSA-N 298.387 -0.123 50 20 CBGD CCCN(C)CC(=O)NNC(=O)c1c[nH]nc1C 735516703 XFPYZLXCAMVOFU-UHFFFAOYSA-N 253.306 -0.179 50 20 CBGD CN(CC(=O)NNc1ccnc(N(C)C)n1)C(=O)C1CC1 740104081 CBDCSHFZLPKCOQ-UHFFFAOYSA-N 292.343 -0.146 50 20 CBGD N#Cc1ccc(NNC(=O)[C@@H](CO)NC(N)=O)cc1Cl 753303615 NDHQCSIGNLJERQ-SECBINFHSA-N 297.702 -0.316 50 20 CBGD O=C(CO)NNC(=O)COc1ccccc1[N+](=O)[O-] 753439637 RTAIXMDKPASDHR-UHFFFAOYSA-N 269.213 -0.887 50 20 CBGD Cc1ccnc(NNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)c1 755850885 SEKDZFMQIOUSTC-UHFFFAOYSA-N 299.294 -0.082 50 20 CBGD COCCCNC(=O)NNC(=O)C(F)(F)C1(O)CCC1 767326685 FXEUVAIXLLMAHV-UHFFFAOYSA-N 295.286 -0.096 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)C[C@@H]1O 768767858 NWQUPFMYRCYDBA-SKDRFNHKSA-N 295.314 -0.101 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H]([C@H](C)O)C1 780359361 SZGLUDLFAFGRCK-GUBZILKMSA-N 257.334 -0.365 50 20 CBGD O=C(NNC(=O)[C@H]1CCCN1C1CC1)C(=O)N1CCCC1 787272929 BFWSDFNVBPTROJ-LLVKDONJSA-N 294.355 -0.617 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)C[C@@H]1CCCOC1 792774297 KJERBPCTNOTPKJ-SECBINFHSA-N 279.362 -0.091 50 20 CBGD O=C(CN1CCC[C@H](O)CC1)NNC(=O)C1CC1 815299600 JDZCVKADJNRHMZ-JTQLQIEISA-N 255.318 -0.609 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCc1cncs1 816360183 OMPGFKXCVZLLRV-UHFFFAOYSA-N 257.315 -0.006 50 20 CBGD CC[C@@H](CS(=O)(=O)NNC(=O)NC(C)C)OC 817351030 PCUGYDWRFVTSQD-QMMMGPOBSA-N 267.351 -0.047 50 20 CBGD CC(C)(C(=O)NNC(=O)CC1CC1)S(C)(=O)=O 819135923 HFOHVCWHIMODER-UHFFFAOYSA-N 262.331 -0.243 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CNC(=O)c1cccs1 823992767 AMBXNCPJZPBLJC-QMMMGPOBSA-N 271.342 -0.178 50 20 CBGD O=C(Cc1ncc[nH]1)NNC(=O)N1CCOCC1 824621594 UDJWCFDZRITAPS-UHFFFAOYSA-N 253.262 -0.975 50 20 CBGD O=C(Cn1cc(C(=O)O)nn1)NNC(=O)C1CCCC1 833120971 KWYAHQQTQJGEQR-UHFFFAOYSA-N 281.272 -0.686 50 20 CBGD CCc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N2)cc1 854216054 SPPXDESMOQJUAJ-JTQLQIEISA-N 261.281 -0.102 50 20 CBGD CSSCCNC(=O)CNS(=O)(=O)N(C)C 854394681 UGGQMOKDJVIHSY-UHFFFAOYSA-N 287.432 -0.490 50 20 CBGD CNC(=S)N(C)NC(=O)Cn1cc([N+](=O)[O-])nc1C 854925613 KGGSTCOSTRVELP-UHFFFAOYSA-N 286.317 -0.433 50 20 CBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=S)NCC1CCC1 855089066 ATDJKHLNGDDSGD-POYBYMJQSA-N 286.357 -0.221 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=S)NCC2CCC2)C1 855090839 RVUUZHXYYLIKKB-SNVBAGLBSA-N 286.401 -0.388 50 20 CBGD O=C(NNc1ccnc(Cl)c1)[C@@H]1CCS(=O)(=O)N1 855462339 RTLGIUYXAUOAGX-ZETCQYMHSA-N 290.732 -0.130 50 20 CBGD Cc1cc(NNC(=O)C2(n3cnnn3)CC2)ncn1 857127893 ZWXJIEYSVOLWJM-UHFFFAOYSA-N 260.261 -0.596 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2cccc(F)n2)N1 860946113 FTQYOGQSKXHNSB-ZCFIWIBFSA-N 281.247 -0.348 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@@H]1CCOC(=O)N1 862056849 AUZJJKQNXGRIKZ-BYPYZUCNSA-N 269.179 -0.415 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cn[nH]c1)[C@@H]1CCC(=O)N1 862469606 QBLKEMTZBLFVJZ-SVRRBLITSA-N 265.273 -0.915 50 20 CBGD CS(=O)(=O)C1(C(=O)NNC(=O)c2cn[nH]c2)CCC1 862470500 QEFOEUKYIMZVSL-UHFFFAOYSA-N 286.313 -0.862 50 20 CBGD O=C1CC[C@@H](C(=O)NN=Cc2cc3c(cc2O)OCO3)N1 863144695 DETJFTZYOOJRDI-QMMMGPOBSA-N 291.263 -0.150 50 20 CBGD CN(CC(=O)OC(C)(C)C)C(=O)c1ccc(B(O)O)cc1 863880590 DCOZNHAZLOAUMN-UHFFFAOYSA-N 293.128 -0.220 50 20 CBGD Cc1cc(CC(=O)NNC(=O)CCN2CCOCC2)n[nH]1 869012455 RJUZHYUOBMVANG-UHFFFAOYSA-N 295.343 -0.870 50 20 CBGD COCCOCC(=O)NN=Cc1ccc(C(=O)OC)n1C 872400810 SOFOWGMMGYUSKJ-UHFFFAOYSA-N 297.311 -0.075 50 20 CBGD CN(C)C(=O)NNC(=O)C(C)(C)S(C)(=O)=O 1116055073 KLSFEYCQQXBFSN-UHFFFAOYSA-N 251.308 -0.888 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]12 1116280187 PUJSRMGQXBFCHB-IWSPIJDZSA-N 285.300 -0.553 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCc1nc[nH]n1 1255117632 DSMSNVJXLGMRHZ-ZETCQYMHSA-N 283.288 -0.774 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cccnc1Cl 1321152855 ZONVQURQXDYNJB-UHFFFAOYSA-N 286.675 -0.533 50 20 CBGD C=CCNC(=S)NNC(=O)c1cccc(C(N)=O)n1 1321173762 JCWQEOVBXVRCBA-UHFFFAOYSA-N 279.325 -0.525 50 20 CBGD O=C(CO)NNC(=O)CCc1nc2cccnc2[nH]1 1325300805 UFPSXYREYSNUDM-UHFFFAOYSA-N 263.257 -0.970 50 20 CBGD CO[C@H]1CC[C@H](NC(=O)NNC(=O)c2cn[nH]c2)C1 1328714979 BDKYUHAJDVAELA-IUCAKERBSA-N 267.289 -0.079 50 20 CBGD Cn1c(CO)cnc1SCC(=O)NNC(=O)C1CC1 1331183658 KGOLOVFTLPXCHI-UHFFFAOYSA-N 284.341 -0.438 50 20 CBGD C/C=C/C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1331912908 WEPBPQCVPBEMEZ-AIYRYJHASA-N 261.303 -0.920 50 20 CBGD Cc1c(C(=O)NNC(=O)CN2CCCC2=O)cnn1C 1332272882 BHGQPLVVMPRRGC-UHFFFAOYSA-N 279.300 -0.888 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCC2CCNCC2)cn1 1346218991 ORNBOSJJDLAZAF-UHFFFAOYSA-N 294.359 -0.246 50 20 CBGD CO[C@]1(C(=O)N2CC=C(C#N)CC2)CCS(=O)(=O)C1 1446273616 FSYYPWGRRXVFSQ-GFCCVEGCSA-N 284.337 -0.128 50 20 CBGD COC(=O)c1cc(NNC(=O)C2(O)CNC2)ccc1F 1573938000 HRFWGACBGCCNOS-UHFFFAOYSA-N 283.259 -0.610 50 20 CBGD CC(CCC(=O)O)=NNC(=O)[C@@H](C)NS(C)(=O)=O 1592470140 HNQYWYKMVLDEPM-SSDOTTSWSA-N 279.318 -0.719 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNC(=S)NCC1CCC1 1593911695 PUTZDYXLLMJXFD-ZETCQYMHSA-N 275.330 -0.619 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CCC1)C(=O)N1CCCC1 1594779141 JJARNWNJZOPCIF-UHFFFAOYSA-N 283.284 -0.989 50 20 CBGD O=C(O)COCC(=O)NNC(=O)c1ccccc1O 1595107410 WSLGIWFILSEQJL-UHFFFAOYSA-N 268.225 -0.746 50 20 CBGD O=C(CC1CC1)NNC(=O)c1cc(C(=O)O)on1 1601248916 XFFOBHYOJBHDOF-UHFFFAOYSA-N 253.214 -0.066 50 20 CBGD CC(=NNC(=O)Cc1cc[nH]n1)c1cn(CC(=O)O)nn1 1602987812 YGAJAHMVFUQAFU-UHFFFAOYSA-N 291.271 -0.831 50 20 CBGD C[C@@H]1CC[C@H](C(=O)O)CN1C(=O)c1cccc(B(O)O)c1 1603388719 OWYUDPFKAIDZSD-KOLCDFICSA-N 291.112 -0.308 50 20 CBGD Cc1noc(C)c1CCC(=O)NNC(=O)C(=O)NC1CC1 8393040 UJNRAVZOGVSIAA-UHFFFAOYSA-N 294.311 -0.350 50 20 CBGD O=C(CN1CCNCC1)NNC(=O)c1cccs1 37389294 DCLOBBSWVBDITN-UHFFFAOYSA-N 268.342 -0.586 50 20 CBGD COC(=O)NNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 46704734 DIEUYUQZYYZBGM-UHFFFAOYSA-N 287.253 -0.330 50 20 CBGD CCCNC(=O)CNS(=O)(=O)CBr 126652153 PWDKRRLVDPSXGV-UHFFFAOYSA-N 273.152 -0.216 50 20 CBGD CN(C)C/C=C/C(=O)NNC(=O)Cc1ccccn1 265662275 DWJLOVMAZQNYPY-FNORWQNLSA-N 262.313 -0.111 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1[C@H]2CCC[C@H]21 267188583 JVWDFNDYTZZQGE-BRPSZJMVSA-N 253.302 -0.296 50 20 CBGD CC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1cccs1 269325704 VLIHAASFNWGBMK-LURJTMIESA-N 291.354 -0.418 50 20 CBGD O=C(NCC1(N2CCOCC2)CC1)NNc1ncccn1 277696519 VXYYZUYWSITIEV-UHFFFAOYSA-N 292.343 -0.033 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CCCCS1(=O)=O 281291908 QXQKNJSHXYYOJH-MRVPVSSYSA-N 291.398 -0.365 50 20 CBGD CC(C)[C@@H](O)C(=O)NNC(=O)Cc1ccncc1 286255643 UWTSUYKAXAWZSM-LLVKDONJSA-N 251.286 -0.212 50 20 CBGD COC(=O)N(C)NC(=O)c1cnc2c(c1)NC(=O)CO2 286257101 HGWNFGKVCGXABR-UHFFFAOYSA-N 280.240 -0.245 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@H]1CCC(=O)N(C)C1=O 491177647 YDDWTFOSENLOQQ-FLOXNTQESA-N 265.269 -0.306 50 20 CBGD CC(C)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)C1 584940579 VQGOPMCFDYMZIT-GFCCVEGCSA-N 290.172 -0.174 50 20 CBGD CS[C@@H](CO)[C@H](C)NC(=O)c1ccc(B(O)O)cc1 584962829 LBAOFTIJZKFQCN-KWQFWETISA-N 283.158 -0.791 50 20 CBGD COCC1=CCN(C(=O)c2cccc(B(O)O)c2)CC1 584973096 AHTXGDBQTLRNGH-UHFFFAOYSA-N 275.113 -0.215 50 20 CBGD C[C@@H](CN(C)C)NC(=O)c1ccc(B(O)O)c(F)c1 584989667 HVNACOXZMIHRDM-QMMMGPOBSA-N 268.097 -0.815 50 20 CBGD CCC1(CNC(=O)c2ccc(B(O)O)cc2)COC1 584997179 XOFGWLXQJYBXRN-UHFFFAOYSA-N 263.102 -0.477 50 20 CBGD CC(C)[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)CCN1 585010246 LJFLDQFDSHCXFW-ZDUSSCGKSA-N 294.135 -0.425 50 20 CBGD OCC1(CNCc2cccc(B(O)O)c2)CCOCC1 585030357 RUZSEXMAUKPYDU-UHFFFAOYSA-N 279.145 -0.755 50 20 CBGD CCc1noc2ncc(S(=O)(=O)NCB(O)O)cc12 585059669 WKDUBZDLWHGKQD-UHFFFAOYSA-N 285.090 -0.925 50 20 CBGD CC(=O)N[C@H](C(=O)NNC(=O)Cc1cccnc1)C(C)C 728856697 VKJHRMXNFKMFBD-ZDUSSCGKSA-N 292.339 -0.068 50 20 CBGD O=C(CCCN1C(=O)CCC1=O)NNC(=O)C1CCC1 732140527 BKZOZYBRTMOISO-UHFFFAOYSA-N 281.312 -0.137 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCNC(=O)O 736900309 NRCMMLCMDKNQRY-UHFFFAOYSA-N 288.304 -0.904 50 20 CBGD CN(CCS(C)(=O)=O)CC(=O)NNC(=O)C(C)(C)C 744397057 YNUPQZSZFVZFBR-UHFFFAOYSA-N 293.389 -0.844 50 20 CBGD COc1cc(C)nc(NNC(=O)c2nccnc2N)n1 746632398 CZCZARCXWBNIQT-UHFFFAOYSA-N 275.272 -0.077 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)Cn1cccn1 751204108 CXUZLNZCHRTZDG-UHFFFAOYSA-N 291.267 -0.947 50 20 CBGD C[C@H]1CC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CN1C 761811299 IMRPXRABMPVTCO-DTWKUNHWSA-N 288.373 -0.447 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccccc1COC 764303564 NZCIMJHDVMEAIF-UHFFFAOYSA-N 295.295 -0.435 50 20 CBGD CN(NC(=O)c1ccc(-n2cnnn2)cc1)C(N)=O 778415486 YCDGNHSQFNMRHR-UHFFFAOYSA-N 261.245 -0.682 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)COc1ccc(F)cc1 780853008 AXAMUDHXDHDPOA-UHFFFAOYSA-N 297.286 -0.122 50 20 CBGD C[C@H]1C[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)CO1 784150064 YLCYTGZQFLUGDU-DTWKUNHWSA-N 269.301 -0.819 50 20 CBGD NC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)N2CCOCC2)C1 786846117 UQNRHTCGQVDZSY-VHSXEESVSA-N 298.343 -0.649 50 20 CBGD O=C1CCC[C@H](C(=O)NNC(=O)NCc2ccco2)N1 799583039 UAHMLYUUOWOMEB-SECBINFHSA-N 280.284 -0.221 50 20 CBGD CCCCCS(=O)(=O)CC(=O)NN(C)[C@H](C)CO 823959351 GUPSSDLRAOHRLT-SNVBAGLBSA-N 280.390 -0.065 50 20 CBGD O=C1NCC[C@H]1C(=O)NNc1ncncc1Cl 832672582 VUJJTYGKMIXJNZ-RXMQYKEDSA-N 255.665 -0.291 50 20 CBGD C[C@H]1CC(=NNC(=O)C(=O)NN=C2CO[C@H](C)C2)CO1 842522832 QSAUKVPZHNGUCT-OCAPTIKFSA-N 282.300 -0.452 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCOCC2)C1 843779799 WQABMWMISDTRTQ-QMMMGPOBSA-N 255.274 -0.571 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@@H]2CCCS2)N1 858292172 CXHIUTJVOXBSLS-YUMQZZPRSA-N 286.357 -0.509 50 20 CBGD CSC1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 858406132 YBMJPNHBWKTKDY-ZETCQYMHSA-N 286.357 -0.509 50 20 CBGD CN1C(=O)CN(CC(=O)NNC(=O)C(C)(C)C)C1=O 858524211 JBXQKEJVFHYDKX-UHFFFAOYSA-N 270.289 -0.926 50 20 CBGD CC(C)(C)[S@](=O)CCNC(=O)c1ccc(B(O)O)cc1 863873089 WMHBISVFYBNLRE-HXUWFJFHSA-N 297.185 -0.357 50 20 CBGD CC(=O)CN(C(=O)c1ccc(B(O)O)cc1)C(C)C 868596893 OAUFJWRSAQXLRT-UHFFFAOYSA-N 263.102 -0.194 50 20 CBGD COC1CC(C(=O)NNC(=O)c2cccnn2)C1 882056156 LBIJGVDOBMWMCC-UHFFFAOYSA-N 250.258 -0.337 50 20 CBGD CC(C)Cn1cccc(C(=O)NNC(=O)CN(C)C)c1=O 894133530 DBACRHSGVNVJPG-UHFFFAOYSA-N 294.355 -0.173 50 20 CBGD COC(=O)[C@H](CO)NC(=O)[C@]1(C)C[C@H]1Br 905868779 VNOXTHNFBDWLBW-CCGCGBOQSA-N 280.118 -0.190 50 20 CBGD CO[C@@]1(C(=O)NNC(=O)C(C)(C)O)CCSC1 907627233 PTXBOEKNAKAABA-JTQLQIEISA-N 262.331 -0.573 50 20 CBGD CNc1nc(C)cc(C(=O)NN(C)C[C@H](C)O)n1 910150585 SPMSDISKGNQVKY-QMMMGPOBSA-N 253.306 -0.216 50 20 CBGD CC(C)CN1N=C(C(=O)NN(C)C[C@@H](C)O)CCC1=O 910161012 PZCBQHVIXUXZMB-SNVBAGLBSA-N 284.360 -0.035 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CCN(c2nc[nH]n2)CC1 911973452 BLDALPJPRRXAPG-NTMALXAHSA-N 276.300 -0.103 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCN(C)C[C@H]1CO 912740690 AWDWCIRBFDMIPV-USKTWTLRSA-N 253.302 -0.435 50 20 CBGD CC(C)n1cc(C(=O)NNC(=O)CN2CCCC2=O)cn1 913732210 MKNJFEODHBKOBB-UHFFFAOYSA-N 293.327 -0.153 50 20 CBGD O=C(NNC(=O)c1cc[nH]n1)c1ccc(-n2cnnn2)cc1 917925365 KPJXIZZHVFVHPE-UHFFFAOYSA-N 298.266 -0.540 50 20 CBGD CN(C)C(=O)CCCC(=O)NNC(=O)C(=O)N1CCCC1 1116173797 JMJBNMOYUDXKNV-UHFFFAOYSA-N 298.343 -0.985 50 20 CBGD C[C@@H](NC(=O)NNc1cccnn1)c1ncn(C)n1 1116706010 WQCUPGCSZRHYRB-SSDOTTSWSA-N 262.277 -0.008 50 20 CBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ncncc1F 1118316724 JARPCXRKFZIYNR-PHDIDXHHSA-N 253.237 -0.430 50 20 CBGD Cn1nc(C(=O)NNc2ccc(Cl)nn2)ccc1=O 1318589284 DCFGIPPPMNHVLI-UHFFFAOYSA-N 280.675 -0.019 50 20 CBGD O=C(NNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1319984729 KRAJEUQVRMTGFI-MRVPVSSYSA-N 255.299 -0.041 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@H](CCOC)C(N)=O 1320637293 MAFWCAHVIUGMAF-FCZSHJHJSA-N 255.274 -0.563 50 20 CBGD O=C(CCCN1C(=O)CCC1=O)NNc1cccnn1 1325256006 RNCYFBXHEAGVFA-UHFFFAOYSA-N 277.284 -0.151 50 20 CBGD COc1cc(CCC(=O)NNC(=O)[C@H]2CCC(=O)N2)on1 1329172771 ODLHFJQJVWBUPZ-MRVPVSSYSA-N 296.283 -0.958 50 20 CBGD CC(C)C[C@@H](CO)NC(=O)NNC(=O)c1cn[nH]c1 1329193792 RAZSTYOEMWZKFH-VIFPVBQESA-N 269.305 -0.239 50 20 CBGD N#CC1CCN(C(=O)NNC(=O)c2cn[nH]c2)CC1 1329194397 YICRSNDRRSQCCQ-UHFFFAOYSA-N 262.273 0.000 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCc2c[nH]nc2C1 1329668152 AHVVBJCTSOKMNN-QMMMGPOBSA-N 293.327 -0.813 50 20 CBGD Cc1nn(C)c(C)c1CNC(=O)NNC(=O)c1cn[nH]c1 1329736617 UJYYVYCSHBEFSH-UHFFFAOYSA-N 291.315 -0.096 50 20 CBGD CC(C)NC(=S)NNC(=O)c1ccnn1CCN(C)C 1331921551 XGQCWYKSXWWWRO-UHFFFAOYSA-N 298.416 -0.038 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1csc2cncn12 1339755321 CVMJNPZNTKWIFM-UHFFFAOYSA-N 295.324 -0.319 50 20 CBGD CO[C@H](C)CS(=O)(=O)NNC(=O)c1cnccn1 1339980389 YVLNMTSNVRETKA-SSDOTTSWSA-N 274.302 -0.924 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccc(C)nc1O 1342635077 IBNISOXRYAZTRU-UHFFFAOYSA-N 268.229 -0.579 50 20 CBGD C[C@H](C(=O)NNC(=O)c1cccn1C)[C@H]1CCC(=O)N1 1351340062 AKTBUXANSPNXSI-DTWKUNHWSA-N 278.312 -0.299 50 20 CBGD COCCN1CC[C@H](NC(=O)NNC(=O)c2cn[nH]c2)C1 1351341944 STQABOFBCDCSBV-JTQLQIEISA-N 296.331 -0.926 50 20 CBGD CON1CCC(=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1 1549314508 LQOZMRFFUFUULQ-CHWSQXEVSA-N 296.371 -0.021 50 20 CBGD Cc1nc(CC(=O)NNC(=O)[C@@H]2CCN2)c(C)s1 1579853900 GDHYXMWYUPCWIE-QMMMGPOBSA-N 268.342 -0.188 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCC[C@@H](N)C2)nn1 1579953109 IUGKZGOZWHPNFJ-JGVFFNPUSA-N 266.305 -0.906 50 20 CBGD O=C(NNC(=O)c1ccccc1)C1=NO[C@]2(CCNC2)C1 1580737353 PNDGSFZTTXIQDR-CQSZACIVSA-N 288.307 -0.044 50 20 CBGD C=C[C@@H](NNC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)O 1588699900 AJWWPGZKTQPCKN-SNVBAGLBSA-N 298.320 -0.036 50 20 CBGD CN(C)[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)C(=O)O 1598190349 KGNOTISUZGKOJO-YUMQZZPRSA-N 272.305 -0.726 50 20 CBGD Cc1cc(C=NNC(=O)CS(C)(=O)=O)[nH]c1C(=O)O 1600185362 NUGSLFVLBHNJPD-UHFFFAOYSA-N 287.297 -0.484 50 20 CBGD Cn1nc(CNC(=O)NNC(=O)C(=O)O)cc1C1CC1 1601009430 BHKBIRLCXXHRIL-UHFFFAOYSA-N 281.272 -0.788 50 20 CBGD O=C(CO)NCCC(=O)NNc1cccc(C(=O)O)c1 1601330332 SKCVNQSFFCVVBN-UHFFFAOYSA-N 281.268 -0.674 50 20 CBGD O=C(O)CCCNC(=O)NNC(=O)c1ncccn1 1601991713 KBBLPJWLYKWZCS-UHFFFAOYSA-N 267.245 -0.715 50 20 CBGD C[C@H](C(=O)O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 1602804793 LSYSEWVWLPQGPW-XVKPBYJWSA-N 294.263 -0.306 50 20 CBGD C[C@H](CNC(=O)NNC(=O)c1cccnn1)C(=O)O 1603184091 URSCMKWHWXIJJH-ZCFIWIBFSA-N 267.245 -0.859 50 20 CBGD COC(=O)NNC(=O)CNc1ccc(-c2nn[nH]n2)cc1 1604950561 FPRSUCFDMUHHFQ-UHFFFAOYSA-N 291.271 -0.334 50 20 CBGD Cn1nc(C(=O)O)cc1C=NNC(=O)c1ccc(O)nc1 1776094315 MLPIWKSJNXXMGA-UHFFFAOYSA-N 289.251 -0.017 50 20 CBGD Cc1cc(NNC(=O)[C@H]2CN(C)CCO2)nc(C)n1 85539021 VIZVSFLXYJNTMT-SNVBAGLBSA-N 265.317 -0.133 50 20 CBGD O=C(CO)NNC(=O)c1cnn(Cc2ccccc2)c1 180961799 QIMGORCIKRKWAP-UHFFFAOYSA-N 274.280 -0.315 50 20 CBGD CC(C)N1C[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)CC1=O 267535162 AZRORNGTUPGCDA-VIFPVBQESA-N 293.327 -0.032 50 20 CBGD CC(C)(C(=O)NNC(=O)c1cccnc1)N1CCOCC1 278573159 IYOACOPTLNMRSE-UHFFFAOYSA-N 292.339 -0.047 50 20 CBGD Cc1cc(C)n(CC(=O)NNc2ncncc2F)c(=O)n1 294170905 WCIUHWHWSTWYCA-UHFFFAOYSA-N 292.274 -0.067 50 20 CBGD C#CCn1ccnc1C=NNC(=O)CNC(=O)c1ccco1 491536645 LHMGGSALNAWWPC-UHFFFAOYSA-N 299.290 -0.011 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1CCn2ccnc2C1 584910523 BWCKBVDFMGKNMI-JTQLQIEISA-N 285.112 -0.236 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1[C@@H]2CCCO[C@@H]21 584914367 VUIYRAIIOUGXAQ-TUAOUCFPSA-N 261.086 -0.270 50 20 CBGD CS[C@@H](CO)[C@H](C)NC(=O)c1cccc(B(O)O)c1 584962652 JIXHCINFRJVMES-KWQFWETISA-N 283.158 -0.791 50 20 CBGD CC[C@](C)(CO)CNC(=O)c1cccc(B(O)O)c1 584964686 KKCQBMUWILNERG-ZDUSSCGKSA-N 265.118 -0.495 50 20 CBGD CC(C)N(CCOCCO)C(=O)c1ccc(B(O)O)cc1 584987933 YESHWCXILZVSKC-UHFFFAOYSA-N 295.144 -0.774 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@H]2C[C@@H]2C1 585005183 AIZZAXVZXSIYQE-DTWKUNHWSA-N 263.077 -0.013 50 20 CBGD C[C@@H]1CN(C)CC[C@H]1NCc1ccc(B(O)O)cc1F 585022584 RQQPWLUBPADVTD-QMTHXVAHSA-N 280.152 -0.065 50 20 CBGD CNC(=O)[C@@H]1CCC[C@H]1NCc1ccc(B(O)O)cc1F 585032476 VLLHJRGODYDHOM-DGCLKSJQSA-N 294.135 -0.490 50 20 CBGD O=C(COc1cccc([N+](=O)[O-])c1)NCB(O)O 585061156 QUSVPDKXIJVVJZ-UHFFFAOYSA-N 254.007 -0.898 50 20 CBGD O=C(NCB(O)O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O 585061762 GFKGPIWFJGUQPK-QMMMGPOBSA-N 298.054 -0.554 50 20 CBGD O=C(CC1CCCC1)NCC(=O)N1CC[C@H](B(O)O)C1 585066112 MFUUWAPYFGYWCT-NSHDSACASA-N 282.149 -0.242 50 20 CBGD COCCNC(=O)c1ccc(N2CC[C@@H](B(O)O)C2)nc1 585072903 GMPMPCLWEYZBPU-LLVKDONJSA-N 293.132 -0.489 50 20 CBGD C[C@]12CCC(=O)N1[C@@H](C(=O)N1CC[C@@H](B(O)O)C1)CS2 585073527 YQMPEWAKFQZCLG-LNLATYFQSA-N 298.173 -0.484 50 20 CBGD CN1CC[C@](O)(CNS(=O)(=O)CCCCl)C1 702554396 VMSOMHXJOKCEIM-VIFPVBQESA-N 270.782 -0.399 50 20 CBGD Cc1[nH]nc(C(=O)NNC(=O)NCC2CC2)c1[N+](=O)[O-] 729343920 JHZWMLQXEOVCCL-UHFFFAOYSA-N 282.260 -0.020 50 20 CBGD C[C@@H](CN1CCN(C)CC1)NC(=O)NNC(=O)C1CCC1 732461878 CABNYJRFCIUNPA-NSHDSACASA-N 297.403 -0.247 50 20 CBGD O=C(O)NCCC(=O)NNC(=O)[C@H]1Cc2ccccc2O1 739937985 KPKVWWFARMEYRM-SNVBAGLBSA-N 293.279 -0.205 50 20 CBGD CC(C)NC(=O)c1ccc(C(=O)NNC(=O)CO)cc1 753438213 CFEKYMZMHFBCET-UHFFFAOYSA-N 279.296 -0.422 50 20 CBGD COCC(=O)N(C)CC(=O)NNC(=O)CC(C)C 758230674 PZYLTQSNYLDZAJ-UHFFFAOYSA-N 259.306 -0.715 50 20 CBGD CCNC(=O)N(C)NC(=O)C(C)(C)S(C)(=O)=O 768409625 IZFJUQICXLOLHB-UHFFFAOYSA-N 265.335 -0.498 50 20 CBGD O=C(Cn1nnc2ccccc2c1=O)NN=c1cc[nH]cc1 780753530 GDEVQXPFEMHQCW-UHFFFAOYSA-N 296.290 -0.248 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H](C)N1CCN(C)CC1 798306555 LTPNAQRXKVUTHE-SNVBAGLBSA-N 285.417 -0.696 50 20 CBGD CCn1ncc2cc(C(=O)NNC(=O)CO)c(C)nc21 799843674 HLYVELPABOYVRZ-UHFFFAOYSA-N 277.284 -0.487 50 20 CBGD CN1CCN(C(=O)NN=Cc2cnc(N(C)C)n2C)CC1 811648610 NNXZHGRQXSRESY-UHFFFAOYSA-N 293.375 -0.223 50 20 CBGD C=C[C@H](O)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C 814543167 DQTZBVOMUKMGDV-BDAKNGLRSA-N 272.301 -0.342 50 20 CBGD O=C(NNc1nc[nH]n1)[C@@H]1CCCC12OCCO2 816634698 PXNVAFCLPBCOIZ-ZETCQYMHSA-N 253.262 -0.209 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 823879377 KZYILNYYKLJFBL-NXEZZACHSA-N 257.334 -0.377 50 20 CBGD Cc1nc(SCC(=O)NN(C)[C@@H](C)CO)n[nH]1 823951885 NWEYGFWAANODNN-LURJTMIESA-N 259.335 -0.451 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CN1CCCC1 824016796 RYTATIUXSBIVTN-ZJUUUORDSA-N 255.318 -0.345 50 20 CBGD O=C(NNC(=O)C1CCC1)c1ccn2nnnc2c1 827215732 CIADQZPFQVWNBH-UHFFFAOYSA-N 260.257 -0.315 50 20 CBGD CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)NNC(=O)CO 827895992 XRONSJBIYUWSMC-MBTKJCJQSA-N 299.327 -0.761 50 20 CBGD CCC[C@@H](C(=O)NNc1cnccn1)S(N)(=O)=O 832395277 JASKRQFFDMRCMC-ZETCQYMHSA-N 273.318 -0.623 50 20 CBGD CN1CCN(C(=O)NNC(=O)C(C)(C)C)CC1=O 846711198 JQRBMKVJMOTWAE-UHFFFAOYSA-N 256.306 -0.453 50 20 CBGD Cc1cc(NNC(=O)CCn2ncn(C)c2=O)ncn1 848369574 CTKRLHKODBMAPU-UHFFFAOYSA-N 277.288 -0.786 50 20 CBGD O=C(NC[C@@H]1CCCO1)NNC(=O)[C@H]1CCOC1 852276209 ATTOIPYGOKKFEV-IUCAKERBSA-N 257.290 -0.468 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)C)C[C@@H]1COCCO1 852495574 KJNYGHFNMKGEML-SNVBAGLBSA-N 287.360 -0.473 50 20 CBGD O=C(NCCOCCF)NNC(=O)[C@H]1CCCCO1 852714594 HLAFLWIFCTVGGR-SECBINFHSA-N 277.296 -0.128 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)c2cccc(F)n2)C1=O 856422773 DKKHFAJLPQHFJD-SSDOTTSWSA-N 280.259 -0.540 50 20 CBGD C=CC[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858230402 XPDDEMRGJZJNFH-SFYZADRCSA-N 254.290 -0.440 50 20 CBGD C[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)[C@H](C)[C@H]1C 858702175 CSZRRLPDKVTRTP-RGOKHQFPSA-N 282.344 -0.018 50 20 CBGD C[C@@H](NNC(=O)CCNS(C)(=O)=O)C(F)(F)F 862307727 OOKRCIYQKHYAAP-RXMQYKEDSA-N 277.268 -0.503 50 20 CBGD C[C@@H](NNC(=O)c1nc(N)nc(N(C)C)n1)C(F)(F)F 862320603 SUJKZUXBZTVOGF-SCSAIBSYSA-N 293.253 -0.295 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CCCSC2)N1 862462461 QLKAZTXVLJAZRT-HTQZYQBOSA-N 271.342 -0.444 50 20 CBGD O=C(N[C@H](CCO)C(F)(F)F)c1ccc(B(O)O)cc1 868542374 LFAPTWWHOSKGIV-SECBINFHSA-N 291.034 -0.591 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@](C)(O)c1ccccc1 869904805 CDMXSLMFTYRBLU-AWEZNQCLSA-N 296.323 -0.296 50 20 CBGD COC[C@H](C)NC(=O)NNC(=O)[C@@H]1CCCCO1 883914946 DKMCLLXWGBVQSH-IUCAKERBSA-N 259.306 -0.079 50 20 CBGD Cc1cn(C(C)(C)C(=O)NNC(=O)N2CCOCC2)cn1 900426455 AVOZTMIZQRUJKO-UHFFFAOYSA-N 295.343 0.000 50 20 CBGD C[C@@H](O)CN(C)NC(=O)COc1ccc(CO)cc1 910155428 IHMPHGQYYSMGAP-SNVBAGLBSA-N 268.313 -0.099 50 20 CBGD Cn1ccc(C(=O)NNC(=O)c2ccncc2)cc1=O 912889748 RNTPSBBGKVXSSO-UHFFFAOYSA-N 272.264 -0.145 50 20 CBGD O=C(NNC(=O)c1cnn(CCF)c1)NC1CC1 1117665835 MELBYJILSODISQ-UHFFFAOYSA-N 255.253 -0.041 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)[C@H]2CCCCO2)C1 1262626401 ODCIZCAPJREVSM-ZJUUUORDSA-N 271.317 -0.967 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(C)nc1O 1320223867 FRNOFTHHVSMHDH-UHFFFAOYSA-N 266.257 -0.408 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCSCC(C)C 1323018084 AICSZPSURYOWEA-UHFFFAOYSA-N 277.346 -0.121 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cnn(CCF)c1 1323607564 PEYLAFPQKMOPBY-UHFFFAOYSA-N 280.263 -0.421 50 20 CBGD Cn1nncc1NNC(=O)COC[C@H]1CCCO1 1329010033 YRTRWKRJZFSFGB-MRVPVSSYSA-N 255.278 -0.546 50 20 CBGD Cc1noc(C)c1CC(=O)NNC(=O)[C@H]1CCC(=O)N1 1329275847 ZARKBCSOWJLHRY-SECBINFHSA-N 280.284 -0.740 50 20 CBGD O=C(NNc1ccccn1)c1cnn(C[C@H](O)CO)c1 1334375233 YTJADCZSAVWEGE-JTQLQIEISA-N 277.284 -0.612 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2CNCCN2C)n1 1343278013 RNCJGLMQDVJJOW-VIFPVBQESA-N 280.332 -0.860 50 20 CBGD CC(C)NC(=O)CNC(=S)NNC(=O)c1cc[nH]n1 1346686696 FCUKCOAIFURMBJ-UHFFFAOYSA-N 284.345 -0.957 50 20 CBGD C#CCn1ccnc1C=NNC(=O)CS(C)(=O)=O 1351652495 ZQLPDFLWCWTRLK-UHFFFAOYSA-N 268.298 -0.989 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCOC2(CCNCC2)C1 1575399333 XRGKDAQULFWFHA-UHFFFAOYSA-N 298.387 -0.756 50 20 CBGD COCCCOCCC(=O)NNC(=O)[C@H]1CCCNC1 1579017024 RBTOPJVLMGRIOZ-NSHDSACASA-N 287.360 -0.423 50 20 CBGD O=C(NNC(=O)[C@@H]1CCN1)c1coc2c1C(=O)CCC2 1580735974 JVDMOONIEKMDAG-QMMMGPOBSA-N 277.280 -0.079 50 20 CBGD COC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)c(OC)c1 1591274919 CLARWGMACMIOEO-UHFFFAOYSA-N 292.255 -0.124 50 20 CBGD CCN(CCO)NC(=O)c1csc(C(=O)O)n1 1596340827 PKOPYFKSPXSKAS-UHFFFAOYSA-N 259.287 -0.200 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cc(-c2nn[nH]n2)ccn1 1604353648 UEWYMHUTIOWTNH-UHFFFAOYSA-N 290.287 -0.432 50 20 CBGD CC(C)CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 42872589 YIGYPVLMTYMXBC-QMMMGPOBSA-N 277.346 -0.450 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)n1C 50818709 HDBHQSYNLYLPPX-UHFFFAOYSA-N 264.285 -0.627 50 20 CBGD CNC(=O)NNC(=O)c1cn(-c2ccccc2)nn1 56377172 MBHOUGORYXCRJO-UHFFFAOYSA-N 260.257 -0.159 50 20 CBGD CN1CCN(CC(=O)NNC(=O)c2ccccc2)CC1 68301568 AYZIQFVKBDKGDY-UHFFFAOYSA-N 276.340 -0.305 50 20 CBGD C[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)CN(C)C 113425105 KDUYNWWQKGXXHY-QMMMGPOBSA-N 282.300 -0.893 50 20 CBGD O=C(CO)NNC(=O)c1cnn(-c2ccccc2)n1 180958652 WUZDJVSCQOXCIV-UHFFFAOYSA-N 261.241 -0.979 50 20 CBGD COc1ncnc(OC)c1C(=O)NNC(=O)NC1CC1 264713471 WPEYGJKVOBRKGL-UHFFFAOYSA-N 281.272 -0.400 50 20 CBGD COc1ccc(C(=O)NN)cc1S(=O)(=O)NC1CC1 270260641 XFZCERBPBCKIQG-UHFFFAOYSA-N 285.325 -0.261 50 20 CBGD COCCCNC(=O)NNC(=O)C(C)(C)OC(C)=O 275287193 LHRMLCMQWATCJR-UHFFFAOYSA-N 275.305 -0.305 50 20 CBGD CCOC(=O)NCC(=O)NNC(=O)c1cccc(C)n1 279816452 OVWGIKGBAMZDQL-UHFFFAOYSA-N 280.284 -0.103 50 20 CBGD C[C@@H]1C[C@H](O)CN1CC(=O)NNC(=O)c1ccccc1 384933230 IBGVUFKQUZYYPZ-PWSUYJOCSA-N 277.324 -0.097 50 20 CBGD C#CCNC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 490556380 GHBURRLSKNCCTH-UHFFFAOYSA-N 299.290 -0.489 50 20 CBGD COC(=O)NCCC(=O)NNC(=O)c1cccc(C)n1 492484027 TYFSGBGPLXPLRI-UHFFFAOYSA-N 280.284 -0.103 50 20 CBGD CCN1CCC(N(C)C(=O)c2cccc(B(O)O)c2)CC1 584938770 BOGSKIVMWQYJSW-UHFFFAOYSA-N 290.172 -0.077 50 20 CBGD CCN1CC[C@@H](N(C)C(=O)c2ccc(B(O)O)cc2)C1 584941551 KTIJPKFRDGPTGT-CYBMUJFWSA-N 276.145 -0.467 50 20 CBGD O=C(NC[C@H](CO)C1CCC1)c1ccc(B(O)O)cc1 584988909 VGZWGJMERHHAKQ-GFCCVEGCSA-N 277.129 -0.495 50 20 CBGD CC1(C)C[C@@]1(C#N)NC(=O)c1cccc(B(O)O)c1 584990269 AFWKJBHLYIFXEY-ZDUSSCGKSA-N 258.086 -0.212 50 20 CBGD CN1CCC[C@H](CNCc2cccc(B(O)O)c2)C1 585024253 SLSVEIKMCZLBPQ-CYBMUJFWSA-N 262.162 -0.202 50 20 CBGD C[C@@H]1C[C@H]1N1C[C@H](NCc2ccc(B(O)O)o2)CC1=O 585024735 BQHKIBQLNLLSQZ-FXPVBKGRSA-N 278.117 -0.942 50 20 CBGD OCc1ccc(CCNCc2ccc(B(O)O)o2)cc1 585035571 VLSKPOSAEFCGHU-UHFFFAOYSA-N 275.113 -0.216 50 20 CBGD Nc1ccc(N2CC[C@@H](B(O)O)C2)nc1[N+](=O)[O-] 585078601 HRBDEYXFCANSCG-ZCFIWIBFSA-N 252.039 -0.375 50 20 CBGD CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccn(C)n1 727357221 MCXBNXNKPLOKDC-SSDOTTSWSA-N 260.319 -0.224 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)Sc1nnnn1C 731904086 FUMPFPBCNVBJAV-YFKPBYRVSA-N 258.307 -0.752 50 20 CBGD O=C(CN1CCC2(CC1)OCCO2)NNC(=O)C1CC1 733193274 MBLLVUBYIJMWIT-UHFFFAOYSA-N 283.328 -0.617 50 20 CBGD O=C(COCc1ccccc1)NNC(=O)Cn1cncn1 737637324 WAFKWNSBRPQMLH-UHFFFAOYSA-N 289.295 -0.358 50 20 CBGD CCNC(=O)NNS(=O)(=O)C[C@@H]1CCCCO1 740811748 XSAKBNKILSBIKA-QMMMGPOBSA-N 265.335 -0.291 50 20 CBGD CC(C)(NS(C)(=O)=O)C(=O)NNC(=O)NCC1CC1 742053868 UCFGUPIFLQSJQD-UHFFFAOYSA-N 292.361 -0.945 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=S)NC(C)(C)C 747522700 QJVZAMUVVGUNMU-SSDOTTSWSA-N 295.430 -0.039 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc2c(c1)OCCO2 755321989 YAWQODBVTMBMSD-UHFFFAOYSA-N 267.241 -0.397 50 20 CBGD CCOC(=O)[C@@H](CO)NS(=O)(=O)CBr 758504796 UTLHEFIVNGFELO-RXMQYKEDSA-N 290.135 -0.818 50 20 CBGD CCNC(=O)NNC(=O)C(=O)N1CCC(C)CC1 767721992 IYGAESUBFOPSSU-UHFFFAOYSA-N 256.306 -0.405 50 20 CBGD C[C@@H]1CC(=O)CC[C@H]1C(=O)NNC(=O)C(C)(C)O 768244117 IVZWKUSUDFJCGW-VXNVDRBHSA-N 256.302 -0.090 50 20 CBGD Cn1ncc(C(=O)NNC(=O)Cc2ccc(F)cc2)n1 785701653 MVBZTYPQCPAEJW-UHFFFAOYSA-N 277.259 -0.042 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H](O)c1cccnc1 798306362 YVMCYAKTOGGRJA-VIFPVBQESA-N 266.326 -0.204 50 20 CBGD COC(=O)N(C)NC(=O)C1(C(=O)NC2CC2)CC1 804125149 LKZQFMCCVMIZMG-UHFFFAOYSA-N 255.274 -0.225 50 20 CBGD COCC(C)(C)C(=O)NNC(=O)N1CCN(C)CC1 807382491 DTXNNUUZKPVRAL-UHFFFAOYSA-N 272.349 -0.353 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)CCOCCOC 808792021 RSDPQCWDYXUUTR-JTQLQIEISA-N 275.349 -0.473 50 20 CBGD CCN(CCO)NC(=O)CS(=O)(=O)C(C)(C)C 823869957 TZANMBLGLQUMOA-UHFFFAOYSA-N 266.363 -0.455 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 823977121 OWTBKURFMYDIJM-BWZBUEFSSA-N 297.277 -0.213 50 20 CBGD CC(C)NC(=O)NNC(=O)C[C@@H]1CCC(=O)N1C 824403981 ILKCKASIFMODQJ-QMMMGPOBSA-N 256.306 -0.264 50 20 CBGD C[C@H](N)C[C@H](C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 831202352 DUODLHVOHFXYNY-ATZCPNFKSA-N 292.405 -0.507 50 20 CBGD CC(=O)N1CCC[C@H](C(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1 843646581 WLOXVSNTGUCXLY-DLOVCJGASA-N 297.355 -0.183 50 20 CBGD CCn1nncc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843662654 UNHRABJRJRXLSI-SFYZADRCSA-N 267.289 -0.516 50 20 CBGD O=C(NNC(=O)[C@@H]1CCNC1=O)c1cccc([N+](=O)[O-])c1 854121267 AUAVPIUTHSGDMG-SECBINFHSA-N 292.251 -0.508 50 20 CBGD CNC(=S)N(C)NC(=O)Cc1cncc(O)c1 854920444 CINWDGOUNGRPNC-UHFFFAOYSA-N 254.315 -0.203 50 20 CBGD CNC(=S)N(C)NC(=O)/C=C\c1cnc(OC)nc1 854922224 AZVRCGWPIYONOR-PLNGDYQASA-N 281.341 -0.034 50 20 CBGD CNC(=S)N(C)NC(=O)c1cc(OC)n(C)n1 854922370 HMGCMZCSAUTAFR-UHFFFAOYSA-N 257.319 -0.490 50 20 CBGD C[C@@H](NC(=S)NNC(=O)CCCC(N)=O)C1CC1 855102346 JSAOVOVYHIJVOH-SSDOTTSWSA-N 272.374 -0.064 50 20 CBGD C=C[C@H](O)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C 855834182 NTNIDTNUEZYUCD-VIFPVBQESA-N 285.344 -0.377 50 20 CBGD CSC(C)(C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 857117079 VGWGUFRNJVSKDC-ZCFIWIBFSA-N 297.402 -0.787 50 20 CBGD COc1ccc(OC(C)(C)C(=O)NNC(=O)CO)cc1 857170887 UTGADWVZXXBTJX-UHFFFAOYSA-N 282.296 -0.008 50 20 CBGD CCN(CCNC(=O)NNC(=O)c1cn[nH]c1)C1CC1 858195454 XJTXHTXEPDMODC-UHFFFAOYSA-N 280.332 -0.162 50 20 CBGD CN1C(=O)CN(CC(=O)NNc2ncc(F)cc2F)C1=O 861940623 YTKZKCBPYLBNOX-UHFFFAOYSA-N 299.237 -0.303 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cncc(F)c2)N1 862456235 NNKRJOUCAKNEBF-MRVPVSSYSA-N 266.232 -0.740 50 20 CBGD O=C(NNC(=O)c1cnn2c1OCCC2)c1cn[nH]c1 862469494 MCHMBULLERYNPB-UHFFFAOYSA-N 276.256 -0.537 50 20 CBGD CCC[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)OC 863877960 JFKJPMLLCXNRSX-NSHDSACASA-N 279.101 -0.562 50 20 CBGD CN(C(=O)c1cccc(B(O)O)c1)[C@@H]1CCCCNC1=O 865118561 FPOSUBOJXXHHSS-GFCCVEGCSA-N 290.128 -0.893 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H](C)Cc1cnn(C)c1 910149947 OHWBXVIKGKVQLA-NXEZZACHSA-N 254.334 -0.058 50 20 CBGD CCCCS(=O)(=O)NCC(=O)NN(C)C[C@@H](C)O 910154791 GMAYKTVGLUXLJX-SECBINFHSA-N 281.378 -0.950 50 20 CBGD CC(=O)NNC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 912693545 DEOZLCYWDZUHNL-NXEZZACHSA-N 281.312 -0.281 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CCCSC1 913732887 MRMXYHBMTMEPIL-SECBINFHSA-N 285.369 -0.101 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1CC1(F)F 913733407 IJIZBIIUMBKCTP-ZCFIWIBFSA-N 261.228 -0.589 50 20 CBGD O=C(NN=Cc1ccc[nH]1)N[C@@H]1CCS(=O)(=O)C1 920380203 HYXMFTTVZSTMQV-SECBINFHSA-N 270.314 -0.165 50 20 CBGD CCNC(=O)N(C)NC(=O)c1coc(S(N)(=O)=O)c1 1116610999 OYWNNFPHDLBSEL-UHFFFAOYSA-N 290.301 -0.767 50 20 CBGD Cc1cc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)ncn1 1117697391 CKZHTSGHJWHGGF-SECBINFHSA-N 282.325 -0.330 50 20 CBGD COc1ccc(C(=O)NNC(=O)CN2CCOC2=O)cc1 1119033817 UAVSZCOFFSQVFF-UHFFFAOYSA-N 293.279 -0.092 50 20 CBGD O=C(CN1CCC(CO)CC1)NNC(=O)[C@@H]1CCCCO1 1120654041 GIUMQTXHTVNGSD-LBPRGKRZSA-N 299.371 -0.593 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccc(F)cc1F 1252438367 MQTWQEYDXFJVQV-UHFFFAOYSA-N 287.222 -0.032 50 20 CBGD COC(=O)C(=O)NN=Cc1cc(C(=O)OC)co1 1320430846 ZBASQNRNEUYHEO-UHFFFAOYSA-N 254.198 -0.311 50 20 CBGD O=C(NNC(=O)[C@H]1CCCS(=O)(=O)C1)NC1CC1 1326443378 YGHPNLVADJMGLA-ZETCQYMHSA-N 275.330 -0.696 50 20 CBGD Cc1cc(C)nc(NNC(=O)CN2CCC(=O)NC2=O)n1 1327441504 BCDURHBCVGNRFY-UHFFFAOYSA-N 292.299 -0.522 50 20 CBGD CCNC(=O)CNC(=O)NNC(=O)c1cccc(C)n1 1327538580 TYRMYVZDBHVRBP-UHFFFAOYSA-N 279.300 -0.530 50 20 CBGD COCCn1cc(C(=O)NNc2nccc(OC)n2)nn1 1328594143 HHDTWYXYNQUTDA-UHFFFAOYSA-N 293.287 -0.520 50 20 CBGD CC(=O)N1CCCN(C(=O)NNC(=O)c2cn[nH]c2)CC1 1328731022 DAEXFEBDOVVPKK-UHFFFAOYSA-N 294.315 -0.682 50 20 CBGD CNC(=O)NNC(=O)c1ccc2c(c1)N(C)C(=O)CO2 1329192363 GIIAJKLXWUNTCJ-UHFFFAOYSA-N 278.268 -0.384 50 20 CBGD CC(C)NC(=S)NNC(=O)c1cc2n(n1)CCO2 1343672269 XPOOLFXGWHGCEF-UHFFFAOYSA-N 269.330 -0.207 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1C(=O)CCC1=O 1346249264 BFPHEWWQYAYCCC-UHFFFAOYSA-N 255.274 -0.671 50 20 CBGD Cn1ccc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)n1 1347634603 UCVAYDSJCQWKOX-VIFPVBQESA-N 285.329 -0.760 50 20 CBGD C[C@H](C(=O)NNC(=O)c1ncccn1)[C@H]1CCC(=O)N1 1348353861 JHTFEIKMHBCGCZ-JGVFFNPUSA-N 277.284 -0.848 50 20 CBGD O=C1CCCN1C[C@H](O)CNS(=O)(=O)CCl 1350011780 TZSAZWQOUXOXQS-SSDOTTSWSA-N 270.738 -0.915 50 20 CBGD O=C(NCC1CC1)NNC(=O)c1nc2ncccn2n1 1350605867 OWPOFOOBBANWIV-UHFFFAOYSA-N 275.272 -0.522 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H](CO)CC1CC1 1351352656 LQMMXBPPUWSSRJ-VIFPVBQESA-N 267.289 -0.485 50 20 CBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1ncccc1C(=O)O 1589415718 LLCIARKWQRGIGF-FSPLSTOPSA-N 280.240 -0.280 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cc(C(=O)O)nn1C 1589416062 NSMMERCCBTTZJE-CBAPKCEASA-N 280.284 -0.007 50 20 CBGD O=C(NN=Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CC1 1593155623 VPGSSISDJVTBMG-UHFFFAOYSA-N 299.294 -0.405 50 20 CBGD O=C(O)CCc1cccc(NC(=O)NNC(=O)CO)c1 1595066919 SZAUMCIQOWANMI-UHFFFAOYSA-N 281.268 -0.151 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@H](Cn1cncn1)C(=O)O 1596860519 AFKVOIDWYCRXIF-WHXYTISESA-N 279.256 -0.709 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCCCC(=O)O)nn1 1600933230 YOZXNBSBIZNJGX-UHFFFAOYSA-N 269.261 -0.779 50 20 CBGD C[C@H](CO)N(C)NC(=O)CCCn1ccc(C(=O)O)n1 1604201753 DSQSTXOHBHBVGR-SECBINFHSA-N 284.316 -0.295 50 20 CBGD Cn1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 1606253846 KHTAVLANAGWUGL-UHFFFAOYSA-N 273.260 -0.315 50 20 CBGD O=C(C[C@H]1CC(=O)NC1=O)NNc1ccc(C(=O)O)cn1 1608292565 TWZCFPYWZBJWCC-SSDOTTSWSA-N 292.251 -0.724 50 20 CBGD Cc1csc([C@H](C)CNC(=O)NNC(=O)C(=O)O)n1 1610547047 WSFGHPNIVYYTSI-RXMQYKEDSA-N 286.313 -0.030 50 20 CBGD Cn1c(=O)oc2cc(C=NNC(=O)C(=O)O)ccc21 1610594795 RQIKVKBDKNVBHA-UHFFFAOYSA-N 263.209 -0.334 50 20 CBGD NC[C@H](N)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1 1843363613 PNMZDQNTWOEXFC-YUMQZZPRSA-N 292.742 -0.990 50 20 CBGD Cc1noc(C)c1CC(=O)NNC(=O)C(=O)NC(C)C 47831466 GFAKUMDHICWYMH-UHFFFAOYSA-N 282.300 -0.494 50 20 CBGD NC(=O)NCCC(=O)NNC(=O)c1ccccc1 49045815 AUZWJNXZTRMCND-UHFFFAOYSA-N 250.258 -0.494 50 20 CBGD CC(C)(CC(N)=O)NCC(=O)NNC(=O)c1ccccc1 186224652 JMLDQMRQYHQRJM-UHFFFAOYSA-N 292.339 -0.309 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@H](O)c1ccccc1 266890682 WFAHWZBMGGXXKM-LLVKDONJSA-N 279.296 -0.207 50 20 CBGD CC(=O)N[C@H](C(=O)NN(C)C(N)=O)C1CCCC1 271254786 FMLMVTJAMOYLMY-VIFPVBQESA-N 256.306 -0.277 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cncc(-n2ccnn2)c1 283210742 RQXQVIMOZYYSIP-UHFFFAOYSA-N 290.283 -0.806 50 20 CBGD COc1ccnc(NNC(=O)NCCCC(=O)N(C)C)n1 299148684 OMFDRVGFKZDBOB-UHFFFAOYSA-N 296.331 -0.020 50 20 CBGD CCCOCC(=O)NNC(=O)CNC(=O)c1ccco1 299680274 OZMVUWINZPASSN-UHFFFAOYSA-N 283.284 -0.417 50 20 CBGD COCC[C@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584936100 DSOQDPAAHMHWCI-QMMMGPOBSA-N 269.081 -0.340 50 20 CBGD CC1(CO)CCN(C(=O)c2cccc(B(O)O)c2)CC1 584974377 GSNGOPRVZLYSSR-UHFFFAOYSA-N 277.129 -0.399 50 20 CBGD OB(O)c1ccc(CNCCCCN2CCCC2)o1 585016017 QKNNIRWVPZJBMD-UHFFFAOYSA-N 266.150 -0.075 50 20 CBGD CC[C@@H](C)[C@H](CO)NCc1cccc(B(O)O)c1 585025288 QGMRYPUNAWZINA-MFKMUULPSA-N 251.135 -0.137 50 20 CBGD Cn1cccc1S(=O)(=O)N1CC[C@H](B(O)O)C1 585055533 AQBDMYNIILBMSS-QMMMGPOBSA-N 258.108 -0.738 50 20 CBGD NC(=O)c1csc(CN2CC[C@@H](B(O)O)C2)c1 585076643 OZRIOEYYOGGKSH-MRVPVSSYSA-N 254.120 -0.104 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2CCCCN2C)nc1O 732264376 RADQNIDQGAYWBX-MRVPVSSYSA-N 266.305 -0.187 50 20 CBGD CCS(=O)(=O)C[C@H](C)NC(=O)NNC(=O)C(C)C 733659720 BOCKNYJRSIYJFJ-QMMMGPOBSA-N 279.362 -0.204 50 20 CBGD CCn1cc(CN(C)CC(=O)NNC(=O)C2CC2)cn1 733795830 JHYJZZBCCRHJLL-UHFFFAOYSA-N 279.344 -0.108 50 20 CBGD CN(CCCC(=O)NNC(=O)NC1CC1)C(=O)O 737426227 AHLZODCHJAMSKT-UHFFFAOYSA-N 258.278 -0.131 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)c2ccccn2)o1 747372670 COJZLLGWYUKLNK-UHFFFAOYSA-N 274.236 -0.152 50 20 CBGD CC[C@@H](OC)C(=O)NNc1ccc(C(N)=O)nn1 757400159 QGVYRCLRBNSKLO-SSDOTTSWSA-N 253.262 -0.556 50 20 CBGD Cn1ncc(C(=O)NNC(=O)c2ccc(C#N)cc2)c1N 757923491 OHWDQOVJNIRKDV-UHFFFAOYSA-N 284.279 -0.051 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(OC)nc1C 763440910 ORXSNRXOQJASGS-UHFFFAOYSA-N 280.284 -0.105 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1 764318704 ZFESWZANHMWKNF-UHFFFAOYSA-N 283.259 -0.052 50 20 CBGD COc1ncnc(N)c1C=NNC(=O)c1cc(C)[nH]n1 764795204 NFALNTVPXKDYBM-UHFFFAOYSA-N 275.272 -0.137 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1cc(C)[nH]n1 772188522 QBDOOZCIZJCPET-MRVPVSSYSA-N 282.300 -0.250 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCS1(=O)=O)NC1CC1 772416866 QNMQETONIFNDSV-MRVPVSSYSA-N 275.330 -0.554 50 20 CBGD NC(=O)C(=O)NN=Cc1c[nH]c2ccc(-c3nn[nH]n3)cc12 822851158 UZLFGRWZSPGXFK-UHFFFAOYSA-N 298.266 -0.717 50 20 CBGD CCN(CCO)NC(=O)[C@@H](CC(C)C)NC(C)=O 823898518 ZDGSLEGSMIRBSR-LLVKDONJSA-N 259.350 -0.117 50 20 CBGD C[C@@H](CO)N(C)NC(=O)C(C)(C)N1CCOCC1 823928571 OYMWZDHPJYNTEQ-JTQLQIEISA-N 259.350 -0.559 50 20 CBGD O=CN1CCC[C@H]1C(=O)NNc1ncc(F)cn1 831352263 VQQFMBKVNOKDCJ-QMMMGPOBSA-N 253.237 -0.320 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1ncc[nH]1 831794533 PJABNFXHGOHFTE-UHFFFAOYSA-N 283.288 -0.305 50 20 CBGD COCC1(C(=O)NNC(=O)CN(C)C)CCCC1 839637397 DJNNLHAPWCLASG-UHFFFAOYSA-N 257.334 -0.098 50 20 CBGD CNC(=O)NNC(=O)CC1(Cn2cnnn2)CCCCC1 845274408 GAGZOPZCZSHHPO-UHFFFAOYSA-N 295.347 -0.026 50 20 CBGD C[C@@H](CC(=O)NNC(=O)C(C)(C)O)n1ccnc1 845992458 LZLRQWLTPGIDFV-QMMMGPOBSA-N 254.290 -0.248 50 20 CBGD CCCNC(=O)NNC(=O)[C@H]1CCCS1(=O)=O 847395440 VFVAXMRONXDJFP-SSDOTTSWSA-N 263.319 -0.696 50 20 CBGD CCCNC(=O)NNS(=O)(=O)N1CCC(OC)CC1 849307188 LHEZKQFOBJSDNE-UHFFFAOYSA-N 294.377 -0.444 50 20 CBGD COC(=O)N(C)CCNC(=O)NNc1cccnn1 852659990 AXJDRDZDSYCGJG-UHFFFAOYSA-N 268.277 -0.199 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C1CC2(CC2)C1 854290714 CDIWXTYHKKTGMC-UHFFFAOYSA-N 253.302 -0.151 50 20 CBGD CC[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C[C@H](C)O1 858695131 DGPYZGNTSYYORV-AEJSXWLSSA-N 298.343 -0.495 50 20 CBGD O=C(CN1CCO[C@@H]2CCC[C@@H]21)NNC(=O)C1CC1 859639088 VOGMKACUFFBRQE-WDEREUQCSA-N 267.329 -0.203 50 20 CBGD C[C@@H](C(=O)NNc1ncc(F)cn1)[C@@H]1CCC(=O)N1 860463369 SRTDQVUXBREKLT-SVRRBLITSA-N 267.264 -0.027 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H](O)c2ccccc2)N1 862454320 FMAMRORBZYXLBF-GXSJLCMTSA-N 277.280 -0.854 50 20 CBGD CC(C)(C)c1n[nH]cc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862462759 RMUPXZQZHYFGIB-MRVPVSSYSA-N 293.327 -0.253 50 20 CBGD O=C(CNC(=O)c1cccc(B(O)O)c1)NC1CCCC1 865049859 NVNHCCLWMLTTFH-UHFFFAOYSA-N 290.128 -0.845 50 20 CBGD CN(CC(=O)NNC(=O)C(=O)NC1CC1)CC(C)(C)C 873836862 CXRXYIGSSRGQLY-UHFFFAOYSA-N 284.360 -0.610 50 20 CBGD COCCOCC(=O)NNC(=O)NCC(F)F 879752273 OFOYRLPUKKMAFE-UHFFFAOYSA-N 255.221 -0.755 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cccnn1)N1CCSCC1 882056894 HVSBEJQIWLCUCZ-VIFPVBQESA-N 295.368 -0.325 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=S)NC(C)(C)C)C1=O 899999692 SXESBLCCNSKQDL-SSDOTTSWSA-N 288.373 -0.863 50 20 CBGD O=C(c1cc(F)cnc1O)N1CC[C@@H](B(O)O)C1 902552365 JRKWFUWASDOQIO-ZCFIWIBFSA-N 254.026 -0.385 50 20 CBGD COC(=O)CC(=O)NNC(=S)NCC1CCC1 912109111 DZLZPXFYKAPKEN-UHFFFAOYSA-N 259.331 -0.155 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H](C2OCCO2)C1 927989766 IITXPRFUACKRSU-NSHDSACASA-N 291.112 -0.799 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@H]1CO 934017595 PMEDMRVOVPOBBK-UWVGGRQHSA-N 257.334 -0.365 50 20 CBGD Cc1cc[nH]c1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1116888713 OCKIGSDWIJCUNB-QMMMGPOBSA-N 285.325 -0.481 50 20 CBGD CCNC(=O)NNC(=O)c1cnn(CCCOC)c1 1118809660 KJLPMRBIRSHPJK-UHFFFAOYSA-N 269.305 -0.117 50 20 CBGD C[C@@H]1C[C@H](CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 1118863023 FNKMCEGTUPWCQF-BBBLOLIVSA-N 298.343 -0.590 50 20 CBGD CCN(CCO)NC(=O)C1CCN(C(=O)N(C)C)CC1 1119103891 GPTTWKUUPOOCBX-UHFFFAOYSA-N 286.376 -0.275 50 20 CBGD CCn1cc(S(=O)(=O)NNC(C)=O)c([N+](=O)[O-])n1 1320403931 ORBHPNPCLOQRAY-UHFFFAOYSA-N 277.262 -0.859 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc(CN(C)C)on1 1320430014 QTBMFNKHBQHRGC-UHFFFAOYSA-N 269.305 -0.941 50 20 CBGD C[C@@H]1C[C@@H](C(=O)NNc2nccn(C)c2=O)CO1 1320577691 OTAJCLYVQRZCJL-HTQZYQBOSA-N 252.274 -0.352 50 20 CBGD CC(C)NC(=S)NNC(=O)/C=C\CN1CCOCC1 1329682060 MKGQHTYWUTTYRX-ARJAWSKDSA-N 286.401 -0.222 50 20 CBGD CO[C@H]1CCC[C@H]1C(=O)NNC(=O)CN1CCCC1=O 1337392842 AGIVTQJHYUWPIA-ZJUUUORDSA-N 283.328 -0.429 50 20 CBGD CC(=O)NC(C)(C)C(=O)NNC(=O)c1cnn(C)c1 1339192100 WMDOSKWITSGMCY-UHFFFAOYSA-N 267.289 -0.904 50 20 CBGD Cc1nn(CCCl)c(C)c1C(=O)N[C@@H]1CNC[C@@H]1O 1354343976 SERVDVGAJVCOEB-ZJUUUORDSA-N 286.763 -0.199 50 20 CBGD N[C@@H](Cc1ccncc1)C(=O)NNc1cccnn1 1580369167 QVSLGESYZVQKEG-JTQLQIEISA-N 258.285 -0.115 50 20 CBGD O=C(NNC(=O)[C@H]1CCN1)c1n[nH]c2c1CCCC2 1580733019 MBECTBOVTRHCJP-SECBINFHSA-N 263.301 -0.589 50 20 CBGD CC(C)NC(=O)NNC(=O)Cn1cc(C(=O)O)cn1 1591652889 PDKZFIILCJLZEV-UHFFFAOYSA-N 269.261 -0.680 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCc2ccccc2OC1 1601553056 SAYJYDGVCPYMPI-VIFPVBQESA-N 293.279 -0.205 50 20 CBGD O=C(O)c1cnc(C(=O)NNC(=O)C2CC2)cn1 1602508904 AHXPYGGDMUTQRI-UHFFFAOYSA-N 250.214 -0.654 50 20 CBGD O=C(NCCSCC(F)(F)F)NNC(=O)C(=O)O 1608450507 VMGBVQKLCBQNLT-UHFFFAOYSA-N 289.235 -0.303 50 20 CBGD C[C@@H](O)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1609374833 BUTBWZMMTQHOEL-ZCFIWIBFSA-N 276.256 -0.992 50 20 CBGD Cn1nc(C(=O)NNC(=O)c2ccccc2)ccc1=O 3358881 GGEXLVUIGRJZPQ-UHFFFAOYSA-N 272.264 -0.145 50 20 CBGD CN(C)CC(=O)NNC(=O)CN(C)Cc1ccccc1 113427549 HUBQABVVXWGGSB-UHFFFAOYSA-N 278.356 -0.173 50 20 CBGD Cc1ccc(-c2cc(C(=O)NNC(=O)CO)[nH]n2)o1 182742403 KWJHIAMVFVFDOT-UHFFFAOYSA-N 264.241 -0.269 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)c1cc(C)n[nH]1 268816410 IOAUFQPDROJKNY-SSDOTTSWSA-N 282.304 -0.684 50 20 CBGD CC(C)[C@@H](O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 285175311 QALYPMFZMFOIJB-NWDGAFQWSA-N 294.307 -0.009 50 20 CBGD COc1ncc(/C=C\C(=O)NNC(=O)C(C)(C)O)cn1 493063537 QZQGQUGUYPCMFN-PLNGDYQASA-N 280.284 -0.583 50 20 CBGD COC(=O)N(C)CC(=O)NNc1ncncc1F 495834175 BAKJWLJRZOUNSQ-UHFFFAOYSA-N 257.225 -0.243 50 20 CBGD C[C@@H]1[C@H](C(=O)Nc2cccc(B(O)O)c2)CCN1C 584912102 OYTJDYCJLWOXRC-BXKDBHETSA-N 262.118 -0.355 50 20 CBGD C=CC[C@H](CO)CNC(=O)c1cc(B(O)O)ccc1F 584970919 VDWZOVPEQDDYND-VIFPVBQESA-N 281.092 -0.580 50 20 CBGD COCCN(C(=O)c1ccc(B(O)O)c(F)c1)C1CC1 584978769 XBEWTZVIWBNCAN-UHFFFAOYSA-N 281.092 -0.244 50 20 CBGD CC[C@]1(CO)CCCN1C(=O)c1cccc(B(O)O)c1 584979498 VSVNXSNLJDLWET-CQSZACIVSA-N 277.129 -0.257 50 20 CBGD COC[C@H](NC(=O)c1ccc(B(O)O)cc1)[C@H]1CCCO1 584983442 ODNBOHXYGDWOGN-QWHCGFSZSA-N 293.128 -0.710 50 20 CBGD Cc1nc([C@H](C)NC(=O)c2cc(B(O)O)ccc2F)n[nH]1 584988802 FDPOVQIDKJPLNC-LURJTMIESA-N 292.079 -0.577 50 20 CBGD C[C@@]1(CNC(=O)c2ccc(B(O)O)cc2)CCC(=O)NC1 585003251 JCMMBTFCYAEFGX-CQSZACIVSA-N 290.128 -0.988 50 20 CBGD CC(C)(CO)[C@@H](NC(=O)c1cccc(B(O)O)c1)C1CC1 585004751 MLPXQEDJAPSFJJ-ZDUSSCGKSA-N 291.156 -0.107 50 20 CBGD C=CCOCCNC(=O)c1cc(B(O)O)ccc1F 585005191 AKSFKHONEFQQAZ-UHFFFAOYSA-N 267.065 -0.562 50 20 CBGD CSC[C@](C)(O)CNCc1ccc(B(O)O)cc1 585024905 GWWOUURFEDWVTF-GFCCVEGCSA-N 269.175 -0.430 50 20 CBGD C[C@@H](CCCO)CNCc1ccccc1B(O)O 585043772 QYBJOSIWPIQNKV-NSHDSACASA-N 251.135 -0.135 50 20 CBGD O=C(NCB(O)O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 585057835 LOWLPZIFQQOGAJ-MRVPVSSYSA-N 296.519 -0.179 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccnc(C2CC2)n1 733359387 GMRGKZOUMJCVED-UHFFFAOYSA-N 263.301 -0.323 50 20 CBGD COCCNC(=S)NNC(=O)[C@H](C)OCCOC 734025742 DKKRQPAFFPHSIN-QMMMGPOBSA-N 279.362 -0.820 50 20 CBGD CC(C)NC(=O)NNC(=O)c1ccc(OCC(N)=O)cc1 745139504 JMBZOKDLGMNWKO-UHFFFAOYSA-N 294.311 -0.097 50 20 CBGD CC1=C(C(=O)NNc2nnc(C)c(O)n2)C(=O)OC1(C)C 748556049 POWTZANEISAIOQ-UHFFFAOYSA-N 293.283 -0.019 50 20 CBGD CN(CCS(C)(=O)=O)C(=O)NNC(=O)C1CCCC1 753335561 LWMZHPZVZAWBIK-UHFFFAOYSA-N 291.373 -0.106 50 20 CBGD O=C(CO)NNC(=O)c1cn(Cc2cccs2)nn1 753443083 RQNSFMJCCUXKQK-UHFFFAOYSA-N 281.297 -0.859 50 20 CBGD O=C(CO)NNC(=O)Cc1cc(Cl)cc2c1OCC2 758542356 OJBROOCXLMFPJZ-UHFFFAOYSA-N 284.699 -0.043 50 20 CBGD CCOc1ncccc1NC(=O)C(=O)NNC(=O)C1CC1 763561390 GHOZYRGXDPDADK-UHFFFAOYSA-N 292.295 -0.024 50 20 CBGD CC(C)(O)C(=O)NNC(=O)Cc1ccccc1CO 768256557 SXHIAHCYEVEJFK-UHFFFAOYSA-N 266.297 -0.360 50 20 CBGD C[C@H](NC(=O)NNc1cccnn1)[C@H]1CN(C)CCO1 770117926 GZLNJSKHQZZCSW-VHSXEESVSA-N 280.332 -0.178 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cccc2cc[nH]c12 773496680 MOROWBSGGUWSLZ-UHFFFAOYSA-N 290.279 -0.100 50 20 CBGD COC(=O)c1cc(S(=O)(=O)NNC(C)=O)c[nH]1 775248311 XOOYIDVVOOYTQN-UHFFFAOYSA-N 261.259 -0.869 50 20 CBGD COC(=O)CNC(=O)NN=Cc1ccc(O)c(O)c1 779817411 QMFUYGRHVAZOGX-UHFFFAOYSA-N 267.241 -0.096 50 20 CBGD COC(=O)CNC(=O)NN=C1CCCc2c1cnn2C 779821416 VJRIZPYBSIXQGS-UHFFFAOYSA-N 279.300 -0.067 50 20 CBGD CCn1cc(CC(=O)NNC(=O)c2cc(C)[nH]n2)cn1 780975450 DJRWCLHOYAMFMQ-UHFFFAOYSA-N 276.300 -0.062 50 20 CBGD C[C@]1(C(=O)NNC(=O)N2CCOCC2)CCCOC1 781324482 UQURGFYEBQNRKL-LBPRGKRZSA-N 271.317 -0.124 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)[C@H](C)CCOC 782477061 GDRRNQJDYRNYCE-MRVPVSSYSA-N 267.351 -0.093 50 20 CBGD Cn1nccc1COCC(=O)NNc1ncccn1 785805877 ZPWMFAYFPNEGJP-UHFFFAOYSA-N 262.273 -0.130 50 20 CBGD CC(=O)N(C)CC(=O)NNc1nc2ccccn2n1 791240231 XXWNBXQSYNDYME-UHFFFAOYSA-N 262.273 -0.349 50 20 CBGD CC[C@H](C)CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 792316613 JXDIXRQQJCLHGV-YUMQZZPRSA-N 279.362 -0.492 50 20 CBGD Cn1nncc1NC(=O)NNC(=O)c1cccnc1 809908129 XVJHUMKSIJCXNQ-UHFFFAOYSA-N 261.245 -0.323 50 20 CBGD COCCN(C)NC(=O)C(=O)N1CCC[C@H](C)C1 819744895 ICSFCHBHOBOBDM-JTQLQIEISA-N 257.334 -0.146 50 20 CBGD COc1ccc(C=NNC(=O)CO)cc1-c1nn[nH]n1 826190743 MAFZMDZKQYTIAS-UHFFFAOYSA-N 276.256 -0.682 50 20 CBGD CN(C)CCn1cc(NC(=O)NNC(=O)O)cn1 830613805 HLFJIYGVFKRFJP-UHFFFAOYSA-N 256.266 -0.251 50 20 CBGD O=C(NNC(=O)c1ccoc1)NC1CN(C(=O)O)C1 831742518 IUTPMUPWXGSAEN-UHFFFAOYSA-N 268.229 -0.414 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H](O)C1CC1 831790324 NMTOGHMOUXXMIZ-VIFPVBQESA-N 287.316 -0.571 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]21 832754854 URMIFIPRGRRLKH-BBBLOLIVSA-N 297.355 -0.400 50 20 CBGD NC[C@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 843348158 ZLPSPCYKZXWYPX-SECBINFHSA-N 254.334 -0.786 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc2[nH]nnc2c1 843974842 DLJAYNUTQYHXIP-XPUUQOCRSA-N 290.283 -0.461 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H]1CC[C@@H]1C(N)=O 847392182 NYJXZAJAAMCOIY-YUMQZZPRSA-N 256.306 -0.372 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1ncc[nH]1 851873659 ILUWQZZHJOYIAO-MRVPVSSYSA-N 253.306 -0.213 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=S)NCC2CCC2)N1 855091606 WYSJWAWUYQZNLW-MRVPVSSYSA-N 270.358 -0.440 50 20 CBGD CCN(CC)S(=O)(=O)CC(=O)NNc1ccncn1 857520733 KZTFCOKWYUPHOS-UHFFFAOYSA-N 287.345 -0.409 50 20 CBGD CCN1CCC[C@@H]1CNC(=O)NNC(=O)c1ncccn1 858120522 GVBYHECJQGVTAP-SNVBAGLBSA-N 292.343 -0.095 50 20 CBGD C[C@@H]1C[C@H]1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858140562 IKRZEVSYHUYREJ-GJMOJQLCSA-N 254.290 -0.749 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc(O)cc2F)N1 862462754 ZYDQRPGINPNCBG-SECBINFHSA-N 281.243 -0.429 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C[C@@H]1C=CCCC1 863464244 ACFDRCAIYPWFIA-SECBINFHSA-N 274.342 -0.075 50 20 CBGD CNc1nc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cs1 863935787 UTQVIKQXPQLYDS-YFKPBYRVSA-N 283.313 -0.776 50 20 CBGD O=C(O)C1(CNCc2ccc(B(O)O)cc2)CCC1 901677825 NKKVXAPREPMQGH-UHFFFAOYSA-N 263.102 -0.289 50 20 CBGD CSSCCNC(=O)[C@@H]1OCCN(C)C1=O 908070174 WYRMTNKYZYOLOL-ZETCQYMHSA-N 264.372 -0.029 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccc2nnc(S)n2c1 910150605 SZWQMGYYKKAYDF-ZETCQYMHSA-N 281.341 -0.025 50 20 CBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NN(C)C[C@H](C)O 910150859 WYNPLOLAGQTCHT-FZMZJTMJSA-N 297.355 -0.748 50 20 CBGD COCCN1C[C@@H](C(=O)NNC(=O)C(C)C)CC1=O 914881223 BZURWFQCJDSXAB-VIFPVBQESA-N 271.317 -0.715 50 20 CBGD O=C(CN1CCCNC1=O)NNC(=O)c1ccccc1 915260544 PWGPRSNHTXBXLA-UHFFFAOYSA-N 276.296 -0.137 50 20 CBGD CCNC(=O)NNC(=O)[C@@]12CCC(=O)N1CCS2 920858571 ILEZBVNWHRNKAY-JTQLQIEISA-N 272.330 -0.598 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](N(C)C)[C@H]1C 931038816 LOWFAMBSUGTRLG-VWYCJHECSA-N 270.377 -0.043 50 20 CBGD CCC[C@H](O)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 936039995 XPBYDSDSQLCRJB-UWVGGRQHSA-N 278.374 -0.360 50 20 CBGD COc1c(C(=O)NNC(=O)N(C)C)c(C)nn1C 1116051359 RPBCDMXPKPFRFH-UHFFFAOYSA-N 255.278 -0.347 50 20 CBGD CN(C)CC(=O)NN=Cc1cc(C(=O)O)cn1C 1120244626 ABWKYCMSKITIQX-UHFFFAOYSA-N 252.274 -0.265 50 20 CBGD Cc1nc(SCCC(=O)NNC(=O)N(C)C)n[nH]1 1252397984 VTGYUVHSPGCBHW-UHFFFAOYSA-N 272.334 -0.102 50 20 CBGD CCC1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)COC1 1261790540 OQZRIDLASWXRDL-QMMMGPOBSA-N 284.316 -0.978 50 20 CBGD Cc1nc(N2CCOCC2)sc1C=NNC(=O)C(N)=O 1317716565 GENGFYBCBIXJLX-UHFFFAOYSA-N 297.340 -0.776 50 20 CBGD C[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1317913455 LKQBWJHMRJYRCL-GJMOJQLCSA-N 260.315 -0.776 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cccc[n+]1[O-] 1318393382 AIHCNGRZDGICIK-UHFFFAOYSA-N 261.241 -0.574 50 20 CBGD NC(=O)[C@H]1CC[C@H](CNC(=O)NNc2cccnn2)O1 1319284212 MJHRTQYHRDLTPI-HTQZYQBOSA-N 280.288 -0.864 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1CCc2n[nH]cc2C1 1319505196 DURQKWLMVWVDJE-ZETCQYMHSA-N 251.290 -0.183 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCN(C)CC(=O)OC 1319742375 IOHUBEDIRAXKNV-MDZDMXLPSA-N 269.301 -0.349 50 20 CBGD CO[C@H](C)CCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1323668554 ZHLMKTNKGCYRGZ-RKDXNWHRSA-N 292.357 -0.616 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCCOCC1 1325991751 YLEADDJKPPSKHK-ZJUUUORDSA-N 271.317 -0.126 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cn(C2CCOCC2)nn1 1327559469 GCNGAPHCKHGLCB-UHFFFAOYSA-N 296.331 -0.064 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCCSC1 1327686450 CUAGHICXMZNXGS-ZCFIWIBFSA-N 261.303 -0.615 50 20 CBGD C[C@@H]1CC(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C[C@@H](C)O1 1329174797 ZYPSNMUYMUDWIE-NQMVMOMDSA-N 298.343 -0.449 50 20 CBGD COCCOCC(=O)NNC(=O)CC[C@@H]1CCOC1 1329609185 UHPNHHJYOVZTHM-SNVBAGLBSA-N 274.317 -0.387 50 20 CBGD O=C(O)[C@H](CC1CC1)NCc1ccccc1B(O)O 1333136917 KNBDLOAACCFNPD-LBPRGKRZSA-N 263.102 -0.291 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C(=O)NCC(F)F)o1 1339159246 KQBOEBZEIHBSMH-UHFFFAOYSA-N 275.211 -0.270 50 20 CBGD Cc1ccc(CC(=O)NNc2ccc(C(N)=O)nn2)cn1 1340252686 XSZYLZCLAUSMFG-UHFFFAOYSA-N 286.295 -0.035 50 20 CBGD CCOC(=O)[C@@H](NC(=O)c1cccc(B(O)O)c1)C1CC1 1348467437 BTGQBZPINJZTKA-LBPRGKRZSA-N 291.112 -0.562 50 20 CBGD O=C(CCn1ccnc1)NNC(=O)CN1CCCC1=O 1350836432 PRGRUVFNPWIAKP-UHFFFAOYSA-N 279.300 -0.957 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1)c1ncon1 1574579356 ZKYSWYRXQWPWBZ-NTSWFWBYSA-N 268.229 -0.669 50 20 CBGD C=C[C@@H](O)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 1588525883 MPYVJRAEESZOFU-SECBINFHSA-N 260.257 -0.143 50 20 CBGD C[C@@]1(C(=O)O)CCN(C(=O)c2ccc(B(O)O)cc2)C1 1589196339 ZIPJRTDXLIJUPR-CYBMUJFWSA-N 277.085 -0.697 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@@H]2CCC[C@H]2[C@H]1C(=O)O 1590939882 BPHNJYCFVSUMTH-UMNHJUIQSA-N 297.355 -0.025 50 20 CBGD CN(C)C(=O)NNC(=O)c1coc(-c2nn[nH]n2)c1 1591003391 IIGMFMHRVHTJNH-UHFFFAOYSA-N 265.233 -0.624 50 20 CBGD COCCCNC(=O)NNC(=S)NCCCC(=O)O 1599226665 DVKDABBBDRRUIR-UHFFFAOYSA-N 292.361 -0.434 50 20 CBGD O=C(Cn1cc(C(=O)O)cn1)NNC(=O)[C@@H]1CCCS1 1601379572 YMILMYAVXPYZMU-QMMMGPOBSA-N 298.324 -0.376 50 20 CBGD O=C(NNC(=O)C1CCC1)c1cc(C(=O)O)on1 1601553321 CEBUWYUQRQDFOZ-UHFFFAOYSA-N 253.214 -0.066 50 20 CBGD CC[C@H](C(=O)O)C(=O)NNC(=O)c1cccnc1 1604878951 YGUFJKQXADWJTJ-QMMMGPOBSA-N 251.242 -0.047 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCCC(=O)O)ccc1=O 1608099014 XCSLOXUOCIXEOC-UHFFFAOYSA-N 296.283 -0.806 50 20 CBGD Cc1ccc2nc(CNC(=O)NNC(=O)C(=O)O)[nH]c2c1 1610515244 ANCKRHRBLBOQOG-UHFFFAOYSA-N 291.267 -0.214 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cc(C(=O)O)co2)cn1 1610600242 BDYGDSYHAOGCHO-UHFFFAOYSA-N 278.224 -0.214 50 20 CBGD COCc1cccc(CC(=O)NNC(=O)CO)c1 188586141 RMUNGPYTNBKPCI-UHFFFAOYSA-N 252.270 -0.485 50 20 CBGD COCCOc1cncc(C(=O)NNC(C)=O)c1 282811300 NKJIGZKXMFVRAW-UHFFFAOYSA-N 253.258 -0.112 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cncc(F)c2)CC1 287682531 CMAHTKBBRQDWKZ-UHFFFAOYSA-N 281.291 -0.178 50 20 CBGD CO[C@@]1(C(=O)Nc2cccc(B(O)O)c2)CCOC1 405058542 NOHPXDPAWSAONK-LBPRGKRZSA-N 265.074 -0.890 50 20 CBGD C[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C[C@H]1O 584969140 CHXSSXJLHCSHOZ-BXKDBHETSA-N 263.102 -0.791 50 20 CBGD C=CC[C@H](CO)CNC(=O)c1ccc(B(O)O)c(F)c1 584969363 CPQZBWQARUGHFD-VIFPVBQESA-N 281.092 -0.580 50 20 CBGD O=C(N[C@@H]1C[C@H]2CCCCN2C1)c1ccc(B(O)O)cc1 584997851 KPUMRQIAMMSSNN-ZIAGYGMSSA-N 288.156 -0.277 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)CS1 585002253 RCIRRRLXASEQQT-LDYMZIIASA-N 265.143 -0.010 50 20 CBGD CC(C)n1cnnc1CCNCc1ccccc1B(O)O 585025230 OZTOUWASFABKFY-UHFFFAOYSA-N 288.160 -0.129 50 20 CBGD CCO[C@@H]1C[C@@H](NCc2ccc(B(O)O)cc2F)[C@H]1OC 585034610 KLFGECIREBVRGT-MGPQQGTHSA-N 297.135 -0.213 50 20 CBGD Cn1cc(CCNCc2ccccc2B(O)O)cn1 585041432 PBODUEMOOXZQDC-UHFFFAOYSA-N 259.118 -0.568 50 20 CBGD Cc1nn(C)c(Cl)c1/C=C/C(=O)NCB(O)O 585061425 XELAUSAWENUOCC-ONEGZZNKSA-N 257.486 -0.477 50 20 CBGD CCNC(=O)CCCC(=O)NNC(=O)c1cnn(C)c1 735471032 JWHPPMCHICZOEX-UHFFFAOYSA-N 281.316 -0.513 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)COCc1ccccc1 737629205 LMXXKDSFVRASQD-JTQLQIEISA-N 293.323 -0.125 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCSCC(=O)O)cn1 739021938 DQXFKLGSQQJFIW-UHFFFAOYSA-N 286.313 -0.611 50 20 CBGD CN(C)c1nccc(NNC(=O)CN2CSCC2=O)n1 740113549 DMXLTTWWJZQLIU-UHFFFAOYSA-N 296.356 -0.481 50 20 CBGD CCC(=O)NNC(=O)Nc1cc(C)n(CC(=O)NC)n1 757822714 LQYXOHSTCQIJQK-UHFFFAOYSA-N 282.304 -0.500 50 20 CBGD CC(C)(C#N)C(=O)NNC(=O)CNC(=O)c1cccnc1 764345311 QIDXJIAEKHOCLD-UHFFFAOYSA-N 289.295 -0.491 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@H](CO)O1 787319142 PWFCEEXOIXHCKH-VHSXEESVSA-N 287.360 -0.739 50 20 CBGD CN(C)c1cccc(CCC(=O)NNC(=O)CO)c1 802573415 BOOYGSGURRJRNW-UHFFFAOYSA-N 265.313 -0.175 50 20 CBGD CC(=O)NCCNC(=O)NNc1cccc(F)n1 804859169 OHWRHNSPWHANRV-UHFFFAOYSA-N 255.253 -0.017 50 20 CBGD C[C@@H](O)CN1CCN(S(=O)(=O)CCl)[C@H](C)C1 820796412 JDGKPEHWKNQKMH-RKDXNWHRSA-N 270.782 -0.101 50 20 CBGD C[C@@H](CO)N(C)NC(=O)C(=O)c1ccc(O)cc1 823928761 RCWXLOCLLKMCAS-QMMMGPOBSA-N 252.270 -0.081 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CCCCc1cnn[nH]1 823935140 NOTFFBKMVXYMGE-VIFPVBQESA-N 255.322 -0.139 50 20 CBGD C[C@H]1CN(CCNS(=O)(=O)CCl)CCO1 831190636 CXKAXYMDLYSXHZ-QMMMGPOBSA-N 256.755 -0.177 50 20 CBGD O=C(NN=c1cc[nH]cc1Cl)C1(n2cnnn2)CC1 832242584 IFTWTOGXGPDLAI-UHFFFAOYSA-N 279.691 -0.224 50 20 CBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)c1ccncc1 847281078 RVALGLUCUOTDBM-RKDXNWHRSA-N 262.269 -0.646 50 20 CBGD CN1C(=O)CC[C@@H]1CC(=O)NNC(=O)[C@@H]1CCCCO1 854682619 CRTQQIQKCWZEMW-ZJUUUORDSA-N 283.328 -0.286 50 20 CBGD C[C@H](CC(N)=O)C(=O)NNC(=O)c1cccc(F)n1 856427052 NBKYXBCIVZRLAY-ZCFIWIBFSA-N 268.248 -0.507 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCC2CC=CC2)N1 858701947 TXJDAIDCNALFOS-VIFPVBQESA-N 266.301 -0.438 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@]1(C2CCCC2)CCNC1=O 863865074 ILUGNRPRMQUHLX-CQSZACIVSA-N 296.371 -0.608 50 20 CBGD COC(=O)[C@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)C1 863885459 IZQAUOMQBZINKA-JGZJWPJOSA-N 277.085 -0.952 50 20 CBGD COCCn1cc(C(=O)NNC(=O)c2cccn2C)cn1 864594335 TVTIKOLKTJWRIF-UHFFFAOYSA-N 291.311 -0.057 50 20 CBGD COCCN(C)NC(=O)c1cnn(CCN(C)C)c1 868242515 PUYKWPPDNQOURR-UHFFFAOYSA-N 269.349 -0.332 50 20 CBGD CCO[C@@H]1C[C@H]1C(=O)NNC(=O)COCCOC 869909330 QZJHZDGEZHDXML-RKDXNWHRSA-N 260.290 -0.778 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cccc(-n2cncn2)n1 910139608 BTCACAFHOHHWOD-VIFPVBQESA-N 276.300 -0.380 50 20 CBGD Nc1nnc(SCC(=O)NNC(=O)C2CC2)s1 913415779 ILCUKRQKAOHARR-UHFFFAOYSA-N 273.343 -0.230 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)C2CCCC2)CN1 915857084 JJSJJJKDNFDLRH-SECBINFHSA-N 253.302 -0.150 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] 919961120 SJISKMMTEIRTSP-UHFFFAOYSA-N 292.248 -0.144 50 20 CBGD CCn1ccnc1C=NNC(=O)CS(C)(=O)=O 1261832989 IHPBIMYRXHDODM-UHFFFAOYSA-N 258.303 -0.602 50 20 CBGD Cc1nc2sccn2c1C=NNC(=O)C(N)=O 1317698210 MUWHJYQQZOXEGD-UHFFFAOYSA-N 251.271 -0.360 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1cccc(CO)c1 1318877433 ROKPYPBGGUZURD-UHFFFAOYSA-N 281.268 -0.818 50 20 CBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1 1320580166 OKSBNOOIHKAYJL-UHFFFAOYSA-N 283.215 -0.915 50 20 CBGD CC(C)NC(=S)NNC(=O)c1nc(N)nc(N(C)C)n1 1327720976 WBOSFLCOKKITTC-UHFFFAOYSA-N 298.376 -0.963 50 20 CBGD CCn1nncc1CNC(=O)NNC(=O)C1CCC1 1329192177 QZVODJHKKDCPEK-UHFFFAOYSA-N 266.305 -0.072 50 20 CBGD Cn1c(C=O)ccc1C(=O)N1CC[C@H](B(O)O)C1 1329915756 GUKJUQJBFDZIJS-QMMMGPOBSA-N 250.063 -0.474 50 20 CBGD CC(C)NC(=S)NNC(=O)c1cc(O)n(C)n1 1330703303 IAQKEXLHAPHUCI-UHFFFAOYSA-N 257.319 -0.357 50 20 CBGD O=C(C[C@@H]1CCC(=O)N1)NNc1ncc(F)cn1 1331152474 DNYODSFDKSQYBP-ZETCQYMHSA-N 253.237 -0.273 50 20 CBGD O=C(C1CC1)N1CCC[C@@H](C(=O)N2CC[C@H](B(O)O)C2)C1 1335430298 FIZCBVMBZKFFOP-NEPJUHHUSA-N 294.160 -0.290 50 20 CBGD CCCCNC(=O)NNC(=O)c1cc(C(=O)O)n[nH]1 1573848451 FZKNCIVQWIZTPA-UHFFFAOYSA-N 269.261 -0.148 50 20 CBGD CO[C@H]1CN[C@@](C)(C(=O)NNc2ncc(F)cn2)C1 1573961845 VFLUCDABMRIKNT-LDYMZIIASA-N 269.280 -0.174 50 20 CBGD COc1ccnc(NNC(=O)[C@]2(C)C[C@H](O)CN2)n1 1574052312 LKSISGLGNVFIKZ-CPCISQLKSA-N 267.289 -0.959 50 20 CBGD COC(=O)NNC(=O)c1cc2n(n1)C[C@@H](C)NC2 1578824912 NBYKIIQPQHRCHJ-ZCFIWIBFSA-N 253.262 -0.624 50 20 CBGD NCCNC(=O)NNC(=O)c1ccnc2ccncc12 1580312445 LZWJYAGBGLAPLM-UHFFFAOYSA-N 274.284 -0.468 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@]2(C(=O)O)CCCO2)n1 1594058048 ZZWNAGXRNIYSKN-GFCCVEGCSA-N 296.283 -0.129 50 20 CBGD CC(C)(C)[C@H](C(=O)O)C(=O)NNC(=O)[C@H]1COCCO1 1602852803 QKJHUOLTNIAKEU-SFYZADRCSA-N 288.300 -0.704 50 20 CBGD CCC(=O)N1CCC(=NNC(=O)NCC(=O)O)CC1 1604853642 WDSFCHZIZJZUJF-UHFFFAOYSA-N 270.289 -0.241 50 20 CBGD Cc1cnc([C@@H](C)NC(=O)NNC(=O)C(=O)O)s1 1610539079 SYXXERACBJWAAT-RXMQYKEDSA-N 272.286 -0.072 50 20 CBGD CCc1cc(C(=O)O)c(C=NNC(=O)C(N)=O)s1 1776015764 JOYZNYKALLDACM-UHFFFAOYSA-N 269.282 -0.056 50 20 CBGD O=S(=O)(CCCCl)NC[C@@H]1COCCO1 38062394 FASJEKMHUHOABO-MRVPVSSYSA-N 257.739 -0.050 50 20 CBGD CC1(C)CN(CC(=O)NNC(=O)C2CC2)CCO1 112976892 VVNXNDZNCBAEDX-UHFFFAOYSA-N 255.318 -0.345 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2c[nH]c(C#N)c2)[nH]n1 182848036 DUSBYHIIWHQDRC-UHFFFAOYSA-N 258.241 -0.007 50 20 CBGD CC(=O)NNC(=O)C(C)(C)NC(=O)C(F)(F)F 277040739 GBPHOTGUUZRADI-UHFFFAOYSA-N 255.196 -0.389 50 20 CBGD O=C(NNC(=O)N1CCC1)c1ccc(-n2cnnn2)cc1 283812787 BTLXOGOMKVOQEQ-UHFFFAOYSA-N 287.283 -0.278 50 20 CBGD COC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)c1cc(C)n[nH]1 285954589 ZTEGRTGROPVVIS-SFYZADRCSA-N 280.284 -0.322 50 20 CBGD C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NN)C2=O 361761983 GOMMEIITMDZBOX-HQJQHLMTSA-N 254.290 -0.523 50 20 CBGD O=C1OC[C@@H]2CN(S(=O)(=O)CBr)CCN12 376876135 MAFQRDRKVKFJFH-LURJTMIESA-N 299.146 -0.195 50 20 CBGD CCOC(=O)NCC(=O)NNC(=O)Cc1ccncc1 492846032 JSNDVWMEFVXLTJ-UHFFFAOYSA-N 280.284 -0.482 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)OC)c1 495326907 SOSSKKVEJYCGCO-UHFFFAOYSA-N 295.251 -0.201 50 20 CBGD O=C(NC[C@@H]1CCCC[C@H]1O)c1ccc(B(O)O)c(F)c1 584951758 SHUXOVKEOKGWSX-GXFFZTMASA-N 295.119 -0.214 50 20 CBGD C[C@H]1OCC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584967888 CKGAZJQXYBTKKC-RDDDGLTNSA-N 267.065 -0.587 50 20 CBGD CCC[C@@H](CNC(=O)c1ccc(B(O)O)cc1)OC 584994650 CDYAMFQLRNPOBU-LBPRGKRZSA-N 265.118 -0.089 50 20 CBGD O=C(N[C@H]1CCC[C@H]1F)c1ccc(B(O)O)cc1 584995543 XAVONMJJSBJFFC-MNOVXSKESA-N 251.066 -0.013 50 20 CBGD COCCOC[C@H](C)NCc1cccc(B(O)O)c1 585025941 AEJDTXWXEAMTLX-NSHDSACASA-N 267.134 -0.493 50 20 CBGD CC(C)[C@H](O)CCNCc1ccc(B(O)O)cc1 585028594 LTRAJTDEIJRCNN-CYBMUJFWSA-N 251.135 -0.137 50 20 CBGD C[C@H]1C[C@H](CNCc2ccc(B(O)O)o2)CCO1 585034819 OFBGGEBOFMZWGY-VHSXEESVSA-N 253.107 -0.136 50 20 CBGD OB(O)c1ccc(CN[C@H]2COc3ccccc3[C@H]2O)o1 585040394 DXCYHYRUJPBUBE-SMDDNHRTSA-N 289.096 -0.456 50 20 CBGD O=S1(=O)CCC[C@@H](CNCc2cccc(B(O)O)c2)C1 585040830 QKEBFCZHWPVYAR-LBPRGKRZSA-N 297.185 -0.719 50 20 CBGD O=C(NCB(O)O)[C@@H](c1ccccc1)N1CCCCC1=O 585056184 QHMTUVGEEJOXQH-CYBMUJFWSA-N 290.128 -0.132 50 20 CBGD COc1ccc(CCC(=O)NCB(O)O)cc1F 585060137 AAVQLKNHGWRPMX-UHFFFAOYSA-N 255.054 -0.105 50 20 CBGD CO[C@H](C)CCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 726713548 GTKBVTGDFOJLGI-KOLCDFICSA-N 293.389 -0.208 50 20 CBGD Nc1ccc(C(=O)NNC(=O)c2cnn[nH]2)cc1[N+](=O)[O-] 729455412 BYDLKEFTBWNYSO-UHFFFAOYSA-N 291.227 -0.630 50 20 CBGD Cc1cc(NNC(=O)CCSc2nnnn2C)ncn1 734253636 PGICCHRKDFDFFI-UHFFFAOYSA-N 294.344 -0.066 50 20 CBGD COCc1nc(C)c(C(=O)NNC(=O)CO)s1 753439928 UXBROUJDIMANPZ-UHFFFAOYSA-N 259.287 -0.649 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@@H]1O 768771186 TYJZPEGSRFFDRC-BDAKNGLRSA-N 257.334 -0.508 50 20 CBGD CCC[C@@](C)(O)C(=O)NNC(=O)C(=O)N1CCCC1 770947803 JWXQYMMGVDBYKO-GFCCVEGCSA-N 271.317 -0.693 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2csnn2)CC1 773671831 CHQBRWOXDYTWGK-UHFFFAOYSA-N 270.318 -0.860 50 20 CBGD CN(C)C1(CNC(=O)NNC(=O)c2cnn(C)c2)CCC1 782633814 LCFFRFMDHPYJHN-UHFFFAOYSA-N 294.359 -0.152 50 20 CBGD O=C(CN1CCCC1=O)NN=C1CC(=O)N2CCCC[C@H]12 799473465 GCTZDDPYTJEPGC-LLVKDONJSA-N 292.339 -0.134 50 20 CBGD CCOCC(=O)NNC(=O)NCCCOC(F)F 802442520 VDCPDUAMLUOJBC-UHFFFAOYSA-N 269.248 -0.017 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]21 824627738 VFHSUWQZNBWSRZ-BBBLOLIVSA-N 282.344 -0.016 50 20 CBGD COCCN(C)NC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 848378099 IDOZQFXWVHBGAZ-NXEZZACHSA-N 257.334 -0.113 50 20 CBGD CCOC(=O)/C(C#N)=C/N[C@@H]1CS(=O)(=O)C[C@H]1OC 849175361 UWVMKWYKHFRYHF-STFJZOTBSA-N 288.325 -0.641 50 20 CBGD COCCN(C)NC(=O)CCn1cnc2c(N)ncnc21 854409431 HARRGSQDKOYOPG-UHFFFAOYSA-N 293.331 -0.592 50 20 CBGD C[C@@H](NC(=S)NNC(=O)CS(C)(=O)=O)C1CC1 855102234 IMCWNGYHNQJZGM-ZCFIWIBFSA-N 279.387 -0.675 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2ncncc2C1)c1cc[nH]n1 855354640 GTDAOEOYIMDKQP-MRVPVSSYSA-N 286.295 -0.234 50 20 CBGD CCc1cnc(O)c(C(=O)NNC(=O)CN(C)C)c1 857109604 OFLNXXIQVUSMFE-UHFFFAOYSA-N 266.301 -0.328 50 20 CBGD C=C(C)COCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858301245 SMBZONIETDVIFW-SECBINFHSA-N 284.316 -0.812 50 20 CBGD CC[C@@H](CSC)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858346892 SXCODJOZZVJQKP-YUMQZZPRSA-N 288.373 -0.263 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)C[C@H]1C[C@@H](O)C1 859970020 NGDYLQIXUUITMG-BBBLOLIVSA-N 257.334 -0.365 50 20 CBGD C[C@H](C(=O)NNC(=O)c1cc[nH]n1)[C@H]1CCC(=O)N1 862168458 ZOMDJAUYYYAESO-NKWVEPMBSA-N 265.273 -0.915 50 20 CBGD COc1cccc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862448496 FCHPUBIYHDHZTA-LLVKDONJSA-N 291.307 -0.336 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cn[nH]c1)[C@H]1CCC(=O)N1 862469604 QBLKEMTZBLFVJZ-HTRCEHHLSA-N 265.273 -0.915 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1C[C@@H]1C1CC1 863466108 PTVWYFYTKBKZRP-SFYZADRCSA-N 260.315 -0.776 50 20 CBGD CCC[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)OC 863877840 HBVQBWRTDYANFK-NSHDSACASA-N 297.091 -0.423 50 20 CBGD COC(=O)N(C)CCNCc1ccccc1B(O)O 863892276 RDTSGICOPWXARX-UHFFFAOYSA-N 266.106 -0.846 50 20 CBGD COC(=O)N(C)NC(=O)N[C@@H](C)C[S@@](C)=O 875485147 OBUNJRBSKWKGKW-XABCROFNSA-N 251.308 -0.334 50 20 CBGD CON(C)C(=O)CNC(=O)NN=c1cc[nH]c(C)c1 875677126 RRNDYFQTHDICCV-UHFFFAOYSA-N 267.289 -0.542 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H]1CSCC(=O)N1 887154715 WUVRUEHINVWAMP-QMMMGPOBSA-N 269.326 -0.831 50 20 CBGD Cc1nnnn1-c1ccc(C(=O)NN(C)C[C@H](C)O)cc1 910140486 HWVKGWWGAVHHSK-VIFPVBQESA-N 290.327 -0.072 50 20 CBGD CC(C)CS(=O)(=O)CC(=O)NN(C)C[C@H](C)O 910170437 LHTPEPYGAAAALM-VIFPVBQESA-N 266.363 -0.599 50 20 CBGD COCCCNC(=O)NNC(=O)Cn1cc(C2CC2)nn1 1116271164 HCIBQVQZYDVJOK-UHFFFAOYSA-N 296.331 -0.478 50 20 CBGD CCC1(Cn2cc(C(=O)NNC(=O)NC)nn2)COC1 1118633975 IZVFCTDPJOAKLT-UHFFFAOYSA-N 282.304 -0.722 50 20 CBGD C[C@@H]1C[C@H](CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 1118863025 FNKMCEGTUPWCQF-OPRDCNLKSA-N 298.343 -0.590 50 20 CBGD CC(C)(C)n1cnc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 1118885349 YPDKWERINZBSJU-ZETCQYMHSA-N 294.315 -0.927 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc(C(N)=O)nc1 1251346455 BRCSGOZSIMIIPI-UHFFFAOYSA-N 251.246 -0.904 50 20 CBGD CN(C)C(=O)NNC(=O)C1CCN(c2cnccn2)CC1 1252437883 BLDFEPNAMCUJBI-UHFFFAOYSA-N 292.343 -0.005 50 20 CBGD CC(C)NC(=S)NNC(=O)C[C@@H]1CCC(=O)N1 1261661319 MUIXENXZAPQTAR-ZETCQYMHSA-N 258.347 -0.441 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccnn1C 1318090331 DWWWMDCSQZTLKW-UHFFFAOYSA-N 255.278 -0.599 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1nnn(C)c1C 1318689862 VNDJRMKNFLRDSQ-UHFFFAOYSA-N 296.331 -0.811 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cnn(C)c1C 1319040178 VYDNJHADUHEZHJ-UHFFFAOYSA-N 295.343 -0.206 50 20 CBGD C=C(Br)CNC(=O)NNC(=O)C(=O)OC 1319299178 JCUXEDNCRFJDOI-UHFFFAOYSA-N 280.078 -0.602 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)C[C@H]1CCN(C(C)=O)C1 1319483769 XQMLYUHUYOAXGN-ZYHUDNBSSA-N 298.387 -0.268 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1cnn(C(F)F)c1 1320283062 DJPORLKIYAWBAA-UHFFFAOYSA-N 291.214 -0.006 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(C(C)=O)c1 1320521352 RYPNYTSMZFYHIH-UHFFFAOYSA-N 293.279 -0.379 50 20 CBGD NC(=O)c1ccc(NNC(=O)c2cncs2)nn1 1322494802 AJMWMGVBXIUUGI-UHFFFAOYSA-N 264.270 -0.211 50 20 CBGD CCN(CC)C[C@@H](C)NC(=O)NNC(=O)C(=O)OC 1323432188 IDBNEKWUZGKDQB-MRVPVSSYSA-N 274.321 -0.780 50 20 CBGD C#CCOCCN(C)CC(=O)NNC(=O)C(C)C 1324720110 JMUOUJZOWYDBLB-UHFFFAOYSA-N 255.318 -0.629 50 20 CBGD CC(=O)c1c[nH]c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 1330108377 NYAPWEBPQNOIIU-MRVPVSSYSA-N 278.268 -0.743 50 20 CBGD O=C(CCCn1cncn1)NNC(=O)Cc1cccnc1 1333986039 WXQCGPPGVORQHP-UHFFFAOYSA-N 288.311 -0.157 50 20 CBGD COCCN(C)NC(=O)[C@H]1CC(c2cnn(C)c2)=NO1 1338999451 UKNKNQYTXGWLEW-LLVKDONJSA-N 281.316 -0.478 50 20 CBGD CCn1ccnc1C=NNC(=O)Cc1cc(O)nc(O)n1 1341143762 DQNYUUBUKKQMKQ-UHFFFAOYSA-N 290.283 -0.203 50 20 CBGD Cc1c(C(=O)NNC(=O)C2CCOCC2)cnn1C 1349788690 UETPITDBURBVMN-UHFFFAOYSA-N 266.301 -0.084 50 20 CBGD CO[C@@H](CN)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 1579111135 MIOFZKHGBZNPJO-NSHDSACASA-N 295.295 -0.808 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@H]2C[C@H](C)CCN2)n[nH]1 1579589363 GHMWFTJYISQFEB-KCJUWKMLSA-N 279.344 -0.204 50 20 CBGD C[C@@H]1[C@H](C(=O)O)CCN1C(=O)c1cc(B(O)O)ccc1F 1594159380 RGTOAKFWIOSURM-VXNVDRBHSA-N 295.075 -0.559 50 20 CBGD COCc1cc(CNC(=O)NNC(=O)C(=O)O)ccc1F 1599282009 DQHFCYXVQGMBEK-UHFFFAOYSA-N 299.258 -0.113 50 20 CBGD O=C(O)C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1cn[nH]c1 1602106207 FZKLPQUNNLSTBN-IONNQARKSA-N 295.299 -0.003 50 20 CBGD CC[C@@H](C(=O)O)N(C)C(=O)c1cc(B(O)O)ccc1F 1603492182 HTAMJEDKLRKMDH-JTQLQIEISA-N 283.064 -0.559 50 20 CBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=S)N[C@H](C)C1CC1 1604464138 KSILRCRZTWOQMT-KSBSHMNSSA-N 289.357 -0.230 50 20 CBGD Cc1cc(C(=O)O)cc(C(=O)NNC(=O)CO)c1 1607589811 LICRSGFYFXKUDE-UHFFFAOYSA-N 252.226 -0.553 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(C(=O)O)nc1 1608358043 BUGXPTLRWIACTC-UHFFFAOYSA-N 289.251 -0.493 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)O)c(C)c1 1609622456 XWUXFNMZQQXAQC-UHFFFAOYSA-N 279.252 -0.201 50 20 CBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1cc(F)ccc1F 1610714024 FEMCUGPJVZUQKW-UHFFFAOYSA-N 287.178 -0.865 50 20 CBGD Cc1cc(C(=O)NNC(=O)CNC(=O)C(C)(C)C)[nH]n1 153122571 HYMOOGWYGPWXBO-UHFFFAOYSA-N 281.316 -0.359 50 20 CBGD CC[C@H](SC)C(=O)NNC(=O)C(=O)NC(C)C 269506520 SIKBRUJHKBGDJK-ZETCQYMHSA-N 261.347 -0.200 50 20 CBGD COCC(=O)N(C)CC(=O)NNC(=O)OC(C)(C)C 270207504 IKOSAXLHKBZAEY-UHFFFAOYSA-N 275.305 -0.353 50 20 CBGD COC(=O)NNC(=O)CCn1nnc2ccccc2c1=O 276913154 QOVMEMSKDNCGEF-UHFFFAOYSA-N 291.267 -0.431 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H](NC(N)=O)C(C)(C)C)[nH]n1 282654778 LIYLIJXOBLAKBH-QMMMGPOBSA-N 296.331 -0.438 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 299384446 PFIMZGMIQNPYKD-LURJTMIESA-N 296.249 -0.300 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 365903085 IUMXWJTWULIDHS-ZETCQYMHSA-N 280.288 -0.935 50 20 CBGD CCCc1nnc(NC(=O)c2ccc(B(O)O)cc2)s1 584934877 YSARRBXIJNDCBS-UHFFFAOYSA-N 291.141 0.423 50 20 CBGD C[C@H](CNC(=O)c1cc(B(O)O)ccc1F)C[C@@H](C)O 584948153 AEHRBDKDSXUUIH-DTWKUNHWSA-N 283.108 -0.358 50 20 CBGD C[C@H]1CSCCN1C(=O)c1ccc(B(O)O)cc1 584951196 WELSCHGALWPOFH-VIFPVBQESA-N 265.143 -0.056 50 20 CBGD CC[C@H](C)[C@H](O)CNC(=O)c1ccc(B(O)O)c(F)c1 584961066 XLLKTAPZJAZAAE-QPUJVOFHSA-N 283.108 -0.358 50 20 CBGD CCN1C[C@H](C)N(C(=O)c2ccc(B(O)O)cc2)C[C@@H]1C 584969265 SONASGROIWGIQO-RYUDHWBXSA-N 290.172 -0.079 50 20 CBGD CC[C@H]1CN(C)CCCN1C(=O)c1cccc(B(O)O)c1 584982352 FOXDPVVZOHFTOY-AWEZNQCLSA-N 290.172 -0.077 50 20 CBGD O=C(N[C@@H]1CC12CCOCC2)c1cc(B(O)O)ccc1F 584997433 GLKYAMXWIYBEHP-GFCCVEGCSA-N 293.103 -0.196 50 20 CBGD OB(O)c1ccc(CNCCOC[C@@H]2CCOC2)cc1 585020185 PIXRHGCOLXCUDX-CYBMUJFWSA-N 279.145 -0.491 50 20 CBGD O=C(CCCNCc1ccc(B(O)O)o1)NC1CC1 585024632 YYLBFWMBZYOTBJ-UHFFFAOYSA-N 266.106 -0.892 50 20 CBGD CCCNC(=O)NNC(=O)CCN1CCCC1=O 727736804 PUJMSBVMKKBGEE-UHFFFAOYSA-N 256.306 -0.261 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)CC(F)(F)F)CC1 730030835 WSGQFIKXMMNDTM-UHFFFAOYSA-N 267.207 -0.388 50 20 CBGD CCNC(=O)CCCC(=O)NNC(=O)c1c[nH]nc1C 732767065 SLVWGPGFEPMQNH-UHFFFAOYSA-N 281.316 -0.214 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H](C)N1CCN(C)CC1 732912868 OHBBZDLZGMBYSU-NSHDSACASA-N 285.392 -0.247 50 20 CBGD CCCCOCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 735632006 VJVYLKASDRHWLJ-VIFPVBQESA-N 292.357 -0.615 50 20 CBGD COC(=O)c1cn(CC(=O)NNC(=O)C2CCCC2)nn1 747360665 YVBDVXUXNRYABL-UHFFFAOYSA-N 295.299 -0.598 50 20 CBGD CN1C[C@@H](NC(=O)NNC(=O)CC(F)(F)F)CC1=O 750652530 BWTTUCHLNDVPSS-YFKPBYRVSA-N 282.222 -0.500 50 20 CBGD CC(C[C@H]1CCOC1)=NNC(=O)[C@H](C)NS(C)(=O)=O 751530165 YZCNMRFYIQMXQQ-VHSXEESVSA-N 291.373 -0.157 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C1(C(N)=O)CC1 772109580 LJHIGTFXWIOZLP-MRVPVSSYSA-N 299.327 -0.623 50 20 CBGD CC(=O)NNC(=O)c1ccc2nnc(S)n2c1 773702963 YBWJSXKMAPKYJW-UHFFFAOYSA-N 251.271 -0.201 50 20 CBGD CNC(=O)NNC(=O)CNc1ccccc1C(N)=O 773845629 CAIRMJIABGWERW-UHFFFAOYSA-N 265.273 -0.842 50 20 CBGD CNC(=O)NNC(=O)[C@H]1COCCN1CC(F)(F)F 773845727 DHYNQPHVNSHHOJ-ZCFIWIBFSA-N 284.238 -0.790 50 20 CBGD NC(=O)C(=O)NN=Cc1ccc([N+](=O)[O-])cc1F 777878537 HHZLACZCGSKVKP-UHFFFAOYSA-N 254.177 -0.331 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cccc(C(N)=O)n1 781972104 PCWFZQKCAAGKMQ-UHFFFAOYSA-N 288.267 -0.713 50 20 CBGD Cn1ncc(C(=O)NNC(=O)COc2ccccc2F)n1 785684597 PIYUKVWGYVSEBR-UHFFFAOYSA-N 293.258 -0.206 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C#N)[nH]1 786087952 UGZJBZOFPVFILX-ZETCQYMHSA-N 278.268 -0.011 50 20 CBGD COCCONC(=O)NNC(=O)Cc1ccncc1 789346098 GCDMUGYXKPJLIU-UHFFFAOYSA-N 268.273 -0.468 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@H](C)c1nnnn1C1CC1 792475374 MYWPYNWEDAJSQD-HTQZYQBOSA-N 295.347 -0.396 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)NCC(F)(F)F 798316994 ZKASQQIWEQIWRM-UHFFFAOYSA-N 265.195 -0.155 50 20 CBGD CC(=O)N[C@H](C(=O)NNC(=O)N=c1cc[nH]cc1)C(C)C 802034166 CIFGEVACMJOQMI-NSHDSACASA-N 293.327 -0.183 50 20 CBGD O=C(C[C@@H]1CCCC(=O)N1)NNC(=O)C1CCC1 809678161 WOEJTKXDDACBGC-VIFPVBQESA-N 253.302 -0.007 50 20 CBGD CC(C)(C)[C@@H](Br)C(=O)NC[C@H](O)C(N)=O 819525844 STQRIAVKOPNFTN-WDSKDSINSA-N 281.150 -0.242 50 20 CBGD CCN(CCO)NC(=O)CC[C@]1(C)CCC(=O)N1 823869501 KNXBXEAIVOWJRI-LBPRGKRZSA-N 257.334 -0.219 50 20 CBGD CN(C)C(=O)NNC(=O)[C@]1(c2ccccc2)CNC(=O)C1 824627624 QUADRDXQSSFZCN-AWEZNQCLSA-N 290.323 -0.253 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)C(=O)N(C)C 825721139 JUUQLLULADPXEP-YIZRAAEISA-N 286.332 -0.782 50 20 CBGD CC1=C(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCN1C(C)C 827017349 ZSEDJGSJZZGHMR-LLVKDONJSA-N 294.355 -0.200 50 20 CBGD COCCN(C)NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 837620827 BSTZYIWAUHSRLG-SECBINFHSA-N 255.318 -0.393 50 20 CBGD CC(C)[C@H](N)CCN(C)CC(=O)NNC(=O)C1CC1 843355232 XEIATXHNSZNUIO-LLVKDONJSA-N 270.377 -0.151 50 20 CBGD O=S(=O)(CCl)N[C@H](CO)C1CCOCC1 849390857 CDEXYOQQCZYSEB-MRVPVSSYSA-N 257.739 -0.110 50 20 CBGD C[C@H](O)[C@H]1CCCN1CC(=O)NNC(=O)C1CC1 852559908 MYJYWCZEIUAJGR-WCBMZHEXSA-N 255.318 -0.611 50 20 CBGD CCc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862450905 DDZLZRUNRDMJSK-QMMMGPOBSA-N 265.273 -0.988 50 20 CBGD CC1=C(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCC1 862457151 BOKUXDBHXIJAFT-SECBINFHSA-N 251.286 -0.087 50 20 CBGD CC(C)(C)OCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862460443 GPQXCZAXXGLGRR-ZETCQYMHSA-N 257.290 -0.773 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CCC=CO2)N1 862460984 KGEFWJXWQVIOEP-JGVFFNPUSA-N 253.258 -0.895 50 20 CBGD CC[C@H](NC(=O)c1ccc(B(O)O)cc1)C(OC)OC 863879832 DKBKTBBTPIYJTE-NSHDSACASA-N 281.117 -0.506 50 20 CBGD CCOC(=O)C(C)(C)ONC(=O)c1ccc(B(O)O)cc1 863887235 WJIUCABJNYZQTG-UHFFFAOYSA-N 295.100 -0.631 50 20 CBGD N#C[C@H]1CN(S(=O)(=O)NCC(Cl)Cl)CCO1 867470819 SKBPWDPKPWYNFN-LURJTMIESA-N 288.156 -0.151 50 20 CBGD Cc1cc(CC(=O)NNC(=O)C[C@@H]2CCCO2)n[nH]1 869012882 FRJPYGWRMNPGMD-JTQLQIEISA-N 266.301 -0.023 50 20 CBGD COCCOCC(=O)NN=Cc1cc(C(=O)OC)n(C)c1 872400780 REPNVBFPOSCUDO-UHFFFAOYSA-N 297.311 -0.075 50 20 CBGD CNC(=O)NNC(=O)C1CCC(N2CCOCC2)CC1 900353453 UUXQUSBFZKDNTL-UHFFFAOYSA-N 284.360 -0.162 50 20 CBGD O=C1N[C@@H](CC(=O)N2CC[C@H](B(O)O)C2)c2ccccc21 902551651 GYBPZJJXYOYDMA-CABZTGNLSA-N 288.112 -0.064 50 20 CBGD O=C(Cc1cccs1)NNC(=O)[C@@H]1CCC(=O)N1 917357671 AVOYAFJJUGGDDQ-QMMMGPOBSA-N 267.310 -0.283 50 20 CBGD COCCNC(=S)NNC(=O)NCC(F)(F)F 917598594 MOEDOVOBDVUKSL-UHFFFAOYSA-N 274.268 -0.127 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1COC[C@H]1C 926024639 BPFIVWIIAZMXMI-KATARQTJSA-N 271.317 -0.223 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1nnn(C)c1C 1116151576 ODRCGHPWAXRYJV-UHFFFAOYSA-N 263.261 -0.770 50 20 CBGD CON=CC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 1117620509 QGUYNYJZRVMQFC-UHFFFAOYSA-N 299.308 -0.517 50 20 CBGD C[C@@H](Cc1cnn(C)c1)NC(=O)NNC(=O)c1cn[nH]c1 1118866581 ZUXPZPBFHTYVQE-QMMMGPOBSA-N 291.315 -0.282 50 20 CBGD COCCC[C@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 1254280217 OYTWYCMPNSYQRY-JTQLQIEISA-N 285.344 -0.181 50 20 CBGD O=C1NCC[C@@H]1C(=O)NNc1nc(-c2ccncc2)no1 1261760689 QMAPUAGOAUMSTQ-QMMMGPOBSA-N 288.267 -0.289 50 20 CBGD Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C=NNC(N)=O 1318287710 VHABIMOUECFQAP-VIFPVBQESA-N 299.356 -0.138 50 20 CBGD O=C(CN1C(=O)CNC1=O)NNc1nccnc1Cl 1318564632 QHAPPWLRVNGLOL-UHFFFAOYSA-N 284.663 -0.875 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)CN1CCCCC1 1318941278 IDZDLKJVDFELEI-VIFPVBQESA-N 286.332 -0.636 50 20 CBGD O=C(NNC(=O)C1=CCCCO1)C(=O)Nc1ccccn1 1319095875 WVJSAUCXXONZEM-UHFFFAOYSA-N 290.279 -0.138 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCc2c[nH]nc2C1 1320106415 JFYXGISRFAVVAV-MRVPVSSYSA-N 288.311 -0.372 50 20 CBGD CCS(=O)(=O)CC(=O)NNc1ncnc2[nH]cnc12 1323268018 GBXAJSBYULOHON-UHFFFAOYSA-N 284.301 -0.769 50 20 CBGD CN(NC(=O)c1cnc2c(c1)NC(=O)CS2)C(N)=O 1323535576 UPIHDYBHFJRZJD-UHFFFAOYSA-N 281.297 -0.219 50 20 CBGD O=C(NCc1nnc2n1CCC2)NNc1ncncc1F 1324162659 MYQZLMBDEKZBCO-UHFFFAOYSA-N 292.278 -0.020 50 20 CBGD O=C(NNc1ncc(F)cn1)[C@@H]1CCc2nncn2C1 1324995444 BGKJJRQZRPNLMN-SSDOTTSWSA-N 277.263 -0.087 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C)nc1 1325519973 SNSISZKESZHFHB-UHFFFAOYSA-N 266.257 -0.878 50 20 CBGD NC(=O)CCCC(=O)NNC(=O)CC(F)(F)F 1328371686 BBTVOOZGMCXMPT-UHFFFAOYSA-N 255.196 -0.258 50 20 CBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cn[nH]c2)CO1 1328798635 FTBASLSUYLGDCR-SVRRBLITSA-N 253.262 -0.469 50 20 CBGD COCc1cc(C=NNC(=O)CS(C)(=O)=O)no1 1329110001 DQYMCGLNNDTYKQ-UHFFFAOYSA-N 275.286 -0.684 50 20 CBGD C[C@@H](CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)n1cccn1 1329529012 CKHMXQKKEYHKSF-IUCAKERBSA-N 279.300 -0.740 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1c(N)noc1C 1332538575 PDTOOOFVIYLIJO-UHFFFAOYSA-N 263.279 -0.922 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCC3(CCO3)CC2)N1 1334931386 SNHYHUWVEHDENY-VIFPVBQESA-N 296.327 -0.739 50 20 CBGD COC1(OC)CC(CNC(=O)c2ccc(B(O)O)cc2)C1 1337576018 YUCYXPBAARJYDD-UHFFFAOYSA-N 293.128 -0.505 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@@H](C)c1noc(C)n1 1337753737 VGYNJAIRTVANSN-NKWVEPMBSA-N 269.305 -0.025 50 20 CBGD O=C(NNC(=O)N1CC[C@@H]1CO)c1cccc(F)n1 1341957185 GTWCLWOUDMJRTL-SSDOTTSWSA-N 268.248 -0.358 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 1342589538 CXBVDWXQIZSZCH-UHFFFAOYSA-N 279.300 -0.120 50 20 CBGD CNC(=O)[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1cn[nH]c1 1351343613 PLYMSTKUTXAUFF-DTWKUNHWSA-N 294.315 -0.732 50 20 CBGD COc1cc(C(=O)NNC(=O)C2CCOCC2)nn1C 1353559188 FDOAQOYUOMMKAR-UHFFFAOYSA-N 282.300 -0.384 50 20 CBGD Cn1nccc1[C@@H]1OCCC[C@@H]1C=NNC(=O)CO 1552450283 VEPFYERNCPBPST-BXKDBHETSA-N 266.301 -0.018 50 20 CBGD CC(C)(C)C(=O)NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1589693731 ZGRYZVWHJTWKRJ-RQJHMYQMSA-N 258.274 -0.188 50 20 CBGD CCCNC(=O)NNC(=O)Cn1ccc(C(=O)O)n1 1595925675 ALWVMLKICSNIEB-UHFFFAOYSA-N 269.261 -0.678 50 20 CBGD Cn1c(C(=O)O)ccc1C(=O)NNC(=O)c1cnsn1 1600904522 ZSAKXQDFWOGOOM-UHFFFAOYSA-N 295.280 -0.350 50 20 CBGD Cc1nc(C(=O)NNC(=O)C(C)C)ccc1-c1nn[nH]n1 1606029698 QRBPCMSSIWSYIZ-UHFFFAOYSA-N 289.299 -0.013 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](N(C)C)C1 111248385 UVAWHJFWCHNBEH-MNOVXSKESA-N 270.377 -0.042 50 20 CBGD CN(C)CC(=O)NNC(=O)c1csc([N+](=O)[O-])c1 172159742 CEBHAUIFRLQMBG-UHFFFAOYSA-N 272.286 -0.021 50 20 CBGD CN(NC(=O)CN1CCN(c2ccccn2)CC1)C(N)=O 181079682 AHCIOQNISOFVSM-UHFFFAOYSA-N 292.343 -0.755 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1ccncc1 272503110 FAAZVIUTEJIUPL-ZETCQYMHSA-N 258.303 -0.538 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=O)c1ccncc1 298595408 JXYAEYWYZSPDKK-UHFFFAOYSA-N 266.257 -0.459 50 20 CBGD CN(CCOCCO)S(=O)(=O)CCCCl 301020348 JYAWQKGGVRGBQP-UHFFFAOYSA-N 259.755 -0.114 50 20 CBGD COC(=O)N[C@H](C(=O)NNc1nnc(C)c(O)n1)C(C)C 491301937 QDVVZMRZLIXZKD-ZETCQYMHSA-N 298.303 -0.291 50 20 CBGD COCC[C@](C)(O)CNC(=O)c1cc(B(O)O)ccc1F 584955869 YILRXDANYMOVNM-ZDUSSCGKSA-N 299.107 -0.977 50 20 CBGD O=C(NC[C@H]1CCSC1)c1cccc(B(O)O)c1 584982341 HFMRUOQNKTZURP-SECBINFHSA-N 265.143 -0.151 50 20 CBGD C=CCO[C@@H](C)CNC(=O)c1ccc(B(O)O)cc1 584987824 ZVJRSOIDNUWTCJ-JTQLQIEISA-N 263.102 -0.313 50 20 CBGD O=C(NC[C@@H](CO)C1CCC1)c1cc(B(O)O)ccc1F 584988223 IKOAMUPQEBRWSM-JTQLQIEISA-N 295.119 -0.356 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H](O)CC1 584993925 BBOBUKCQQSGEHC-GFCCVEGCSA-N 263.102 -0.647 50 20 CBGD CCCN1C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC1=O 585003599 UZIMVKNPZOCYSN-GFCCVEGCSA-N 290.128 -0.893 50 20 CBGD C[C@H](C#N)N(C(=O)c1ccc(B(O)O)cc1)C1CC1 585006995 SEKZAXNHPIVNRR-SECBINFHSA-N 258.086 -0.117 50 20 CBGD O=C(CCNCc1ccc(B(O)O)cc1F)N1CCCC1 585014437 RFFRXTDPZYLJMK-UHFFFAOYSA-N 294.135 -0.392 50 20 CBGD COCC[C@](C)(O)CNCc1ccc(B(O)O)cc1 585023152 HDLHTCZFJPVTQP-ZDUSSCGKSA-N 267.134 -0.757 50 20 CBGD C[C@@](O)(CNCc1ccccc1B(O)O)c1ccco1 585025701 AKNMGZAQEPQNJU-CQSZACIVSA-N 275.113 -0.043 50 20 CBGD CCS(=O)(=O)CCCNCc1ccc(B(O)O)cc1 585045724 GCSRQHSZDREAMY-UHFFFAOYSA-N 285.174 -0.719 50 20 CBGD O=C(NCB(O)O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 585062477 SYGIFJSCCXFFLT-SNVBAGLBSA-N 283.137 -0.958 50 20 CBGD CN(CC(=O)N1CC[C@H](B(O)O)C1)C(=O)c1cccs1 585069384 NXOIRNKNERIRTE-VIFPVBQESA-N 296.157 -0.105 50 20 CBGD CC(=O)N1CCC[C@H](C(=O)NNC(=O)c2c[nH]nc2C)C1 732082346 BKMLSPIRBPNFRR-JTQLQIEISA-N 293.327 -0.262 50 20 CBGD COCCCNC(=O)NNC(=O)CCNC(=O)O 737762788 OGLYHGWMHITXEH-UHFFFAOYSA-N 262.266 -0.989 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C[C@@H]1SC(=N)NC1=O 742647291 JVTBCKARPDFWNV-LURJTMIESA-N 296.312 -0.964 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2CCC(=O)NC2)n1 746631297 WUFSACIASJULOM-MRVPVSSYSA-N 279.300 -0.237 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 750654561 DCXDWOKTICJXJE-MRVPVSSYSA-N 268.317 -0.264 50 20 CBGD CCOC(=O)c1cnc(C)c(NC(=O)NNC(=O)CO)c1 757810177 ISVNGBFQSPQDKH-UHFFFAOYSA-N 296.283 -0.288 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@](C)(C(=O)OC)C1 759787668 TZHGXNSDXNIRPQ-RNCFNFMXSA-N 285.344 -0.183 50 20 CBGD C[C@@H](C(=O)NNC(=O)CO)c1cccc([N+](=O)[O-])c1 762902775 XLHLTXVGCQWGLD-SSDOTTSWSA-N 267.241 -0.162 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1ccc2scnc2c1 764422807 ZQWKDTVRIPSBOJ-UHFFFAOYSA-N 294.292 -0.626 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 770946281 BMYPFUWYRUNLMW-SSDOTTSWSA-N 294.377 -0.747 50 20 CBGD O=C(CN[C@H](CO)C1CC1)NNC(=O)c1ccc(F)cc1 771801416 JEBDATKQCOEOPB-GFCCVEGCSA-N 295.314 -0.053 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CCN(CC(F)(F)F)C1 792657551 HACGYKLTNMLCFN-LURJTMIESA-N 269.223 -0.990 50 20 CBGD CO[C@@H](C(=O)NNC(=O)C(C)C)c1cnn(C)c1 798831381 HSZMEKQNAOGXAR-SECBINFHSA-N 254.290 -0.089 50 20 CBGD N#CCNC(=O)CNC(=O)NNC(=O)c1ccccc1F 805388405 CBQALWKBLJHHTB-UHFFFAOYSA-N 293.258 -0.591 50 20 CBGD C=C[C@](C)(O)CC(=O)NNC(=O)C(=O)N1CCCC1 810276015 ZKCXESSMIUOSJD-LBPRGKRZSA-N 269.301 -0.917 50 20 CBGD COCC(=O)N[C@H](C(=O)NNc1nc[nH]n1)C(C)C 816632373 GGGSBPLCCUKGDF-QMMMGPOBSA-N 270.293 -0.965 50 20 CBGD COc1ccnc(NNC(=O)[C@H]2CC[C@H]2C(N)=O)n1 816860518 OBDMNGPFQBUVPH-RQJHMYQMSA-N 265.273 -0.560 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@](C)(O)c1ccccc1 817513264 OKZPODVMMVWBGX-AWEZNQCLSA-N 293.323 -0.434 50 20 CBGD CN1C[C@H](C(=O)NNC(=O)c2cccc(Cl)n2)CC1=O 818387107 MEDLXMAQYOCEGD-SSDOTTSWSA-N 296.714 -0.026 50 20 CBGD CN1C[C@H](C(=O)NNC(=S)NC(C)(C)C)CC1=O 819037136 MJZASDZMEHLTNN-SSDOTTSWSA-N 272.374 -0.242 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1CCc2cncn2C1 823815935 MTFMHTBMTIRFBG-JTQLQIEISA-N 295.343 -0.188 50 20 CBGD CCN(CCO)NC(=O)C1(S(C)(=O)=O)CCC1 823885149 XZEAKZXCUATLEN-UHFFFAOYSA-N 264.347 -0.701 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCCC12OCCO2 823923002 OIRBSVBBPAVTNG-UWVGGRQHSA-N 258.318 -0.127 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CNC(=O)NC1CCCCC1 823969979 AOGSFHZFSDQGMC-JTQLQIEISA-N 286.376 -0.038 50 20 CBGD COCCn1cc(C(=O)NN(C)[C@H](C)CO)ccc1=O 823970364 FWTHREOKFJFXJS-SNVBAGLBSA-N 283.328 -0.548 50 20 CBGD COC(=O)CN(CC(=O)NNC(=O)C(C)C)C1CC1 828012417 OOEIFLQTRCIYMV-UHFFFAOYSA-N 271.317 -0.573 50 20 CBGD COc1cc(C)nc(NNC(=O)N[C@@H]2CCNC2)n1 841941786 QFNZJCSZBQPIJE-MRVPVSSYSA-N 266.305 -0.218 50 20 CBGD Cc1ccn(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(=O)c1 843658334 UVGFSYOTQTVBJT-MNOVXSKESA-N 293.323 -0.271 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CO[C@H](C)C1 843659384 UJPVIXMGCKXEAC-XFWSIPNHSA-N 256.302 -0.016 50 20 CBGD COCCN(C)NC(=O)[C@H](OC)c1cnn(C)c1 848378460 SBXRDWHRMUNAOH-SNVBAGLBSA-N 256.306 -0.283 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@@H](C)C(=O)O 848586439 ZXUOSZMXPHNQFN-HTQZYQBOSA-N 291.304 -0.911 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@@]1(O)CCOC1 854286319 PZCQPGAMLYBFML-LLVKDONJSA-N 291.373 -0.988 50 20 CBGD C[C@@H](NC(=S)NNC(=O)CSCC(N)=O)C1CC1 855100980 MTZNZFYIFJVWJF-ZCFIWIBFSA-N 290.414 -0.501 50 20 CBGD COC(=O)c1cc(C=NNC(=O)C(N)=O)n2c1CCCC2 857206393 OHTNXADHABFXRZ-UHFFFAOYSA-N 292.295 -0.454 50 20 CBGD CN(C[C@H]1C[C@@H](O)C1)C(=O)c1cc(B(O)O)ccc1F 863889488 BKUIHCOXUVJRAV-WAAGHKOSSA-N 281.092 -0.652 50 20 CBGD CNC(=S)N(C)NC(=O)c1cnn(CCN(C)C)c1 868860093 QSERMZQOBLKYBI-UHFFFAOYSA-N 284.389 -0.474 50 20 CBGD CC[C@H](C)[C@@H](NNC(=O)[C@@H]1CCC(=O)N1)C(=O)OC 905774945 SJUDKSUFIXOIBC-OYNCUSHFSA-N 271.317 -0.527 50 20 CBGD C[C@@H](NS(=O)(=O)CCl)[C@H]1CN(C)CCN1C 919982111 REIBLEVVHPSQGZ-RKDXNWHRSA-N 269.798 -0.264 50 20 CBGD CNC(=O)NNC(=O)c1ccc(-n2cnnc2)cc1 1115963051 SPJRRRWWJPHAKW-UHFFFAOYSA-N 260.257 -0.159 50 20 CBGD COC(=O)C(=O)NN=C(C)C1CCS(=O)(=O)CC1 1116668675 OSLDDRXRAXMQAG-UHFFFAOYSA-N 276.314 -0.524 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCn2cncc2C1 1116787544 OVLNXPRZQMAYTN-MRVPVSSYSA-N 266.301 -0.636 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cnn2ccncc12 1116869693 NLKVNJLMWFRITO-UHFFFAOYSA-N 263.257 -0.739 50 20 CBGD CN(C)c1ncccc1C=NNC(=O)[C@@H]1CCC(=O)N1 1118889616 OQIVGJZEIGBSCS-JTQLQIEISA-N 275.312 -0.124 50 20 CBGD CN1CCC(C(=O)NNC(=O)Cc2cc[nH]n2)CC1 1119525026 JUHJRXYJSSADCA-UHFFFAOYSA-N 265.317 -0.559 50 20 CBGD NC(=O)c1ccc(NNC(=O)c2cccnc2)nn1 1319072134 QJWDDITVANRUKT-UHFFFAOYSA-N 258.241 -0.273 50 20 CBGD Cc1ccccc1NC(=O)C(=O)NNC(=O)CCO 1320521412 VGHVXLITOCDVFL-UHFFFAOYSA-N 265.269 -0.537 50 20 CBGD CCN(C)C(=O)CNC(=O)NNC(=O)c1ccc[nH]1 1320550210 DHUYBTFSIGPRDV-UHFFFAOYSA-N 267.289 -0.563 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)NC2CC2)cn1 1322021587 RUVNBFMEZZWWLP-UHFFFAOYSA-N 278.268 -0.025 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CCc2nnn(C)c2C1 1324022758 GLMKZEMKINIWGA-MRVPVSSYSA-N 294.384 -0.399 50 20 CBGD Cn1cc([C@H](O)C(=O)NNC(=O)OCC(F)(F)F)cn1 1328420648 FGERXUVDSFOFAK-LURJTMIESA-N 296.205 -0.227 50 20 CBGD CC(C)(C)n1nnc(C=NNC(=O)[C@@H]2CCC(=O)N2)n1 1330143034 OUZUKHJWUIFREH-ZETCQYMHSA-N 279.304 -0.843 50 20 CBGD CCn1ccc(NC(=O)C(=O)NNC(=O)C2CC2)n1 1330302466 ZMEGEGCERVGNEL-UHFFFAOYSA-N 265.273 -0.601 50 20 CBGD Cc1ncccc1CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1330515789 CVHZFKALENZDQI-JTQLQIEISA-N 276.296 -0.641 50 20 CBGD CC(C)[C@@H]1C[C@@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 1334793894 BBFGFVZKQDWPSA-DCAQKATOSA-N 297.355 -0.136 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NNc1ccncn1 1334804067 VPYPFMBVXGIWML-SSDOTTSWSA-N 258.303 -0.400 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCOC(C)(C)C1 1338590929 RYJWDFISOKGOPF-SECBINFHSA-N 285.344 -0.136 50 20 CBGD O=C(NNC(=O)c1nc[nH]n1)OCC(F)(F)F 1347865119 JCZXLVGXGKMZJU-UHFFFAOYSA-N 253.140 -0.262 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCN[C@@H]([C@@H]2CCCO2)C1 1578413317 KRZVALFXFHHCEE-UTUOFQBUSA-N 298.387 -0.757 50 20 CBGD NC[C@H]1CC[C@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 1580331855 RSPXVLWXPGNAHN-GUBZILKMSA-N 297.359 -0.887 50 20 CBGD CC(C)[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)O 1588949271 DREHAALJSOCDPZ-SNVBAGLBSA-N 283.064 -0.656 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNc1ccc(Cl)nn1 1593911220 IDSLBROOKLIWDJ-ZCFIWIBFSA-N 260.637 -0.327 50 20 CBGD CS[C@@H]1CC[C@H](NC(=O)NNC(=O)C(=O)O)C1 1599788428 VFQILJIMBQYZKG-NTSWFWBYSA-N 261.303 -0.315 50 20 CBGD Cc1cc(NC(=O)C(=O)NNC(=O)C(C)C)c(C(=O)O)[nH]1 1600249883 DLYGNLPTHPVYCY-UHFFFAOYSA-N 296.283 -0.237 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)NC[C@H](F)C(=O)O 1601369470 CCUUJRMRVFOTPI-QMMMGPOBSA-N 284.247 -0.623 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C(=O)O)C1CC1 1603486475 WDKTYAZPAVQZCA-HZGVNTEJSA-N 286.284 -0.414 50 20 CBGD O=C(O)CCC(=O)NNC(=O)C(=O)Nc1ccccn1 1606101640 GAQWZGNASMCWLO-UHFFFAOYSA-N 280.240 -0.968 50 20 CBGD COCC(=O)NNC(=O)COc1ccc(C#N)cc1 42084449 NRMGUWSQWHBGSI-UHFFFAOYSA-N 263.253 -0.269 50 20 CBGD COCCS(=O)(=O)CC(=O)NNc1ncccc1C 276726537 MFYJXPQMKYRPOR-UHFFFAOYSA-N 287.341 -0.106 50 20 CBGD COC(C)(C)CC(=O)NNC(=O)CNC(=O)c1ccco1 278748957 PRIFNPOKYJCVKO-UHFFFAOYSA-N 297.311 -0.028 50 20 CBGD CC(C)CCC(=O)NCC(=O)NNc1nnc[nH]1 293521498 AYSRNPQSPZADNY-UHFFFAOYSA-N 254.294 -0.200 50 20 CBGD O=C(CN1C[C@@H]2[C@@H](CO)[C@@H]2C1)NNC(=O)c1ccccc1 367839679 MTRQLIWLKGBNIX-ITGUQSILSA-N 289.335 -0.382 50 20 CBGD CN(C)[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584939887 MFYMNMFNEPKFMR-ZDUSSCGKSA-N 276.145 -0.467 50 20 CBGD C[C@@H]1OCCN(C(=O)c2ccc(B(O)O)c(F)c2)[C@@H]1C 584962324 CUQPIKWWRKYTRP-BDAKNGLRSA-N 281.092 -0.245 50 20 CBGD C[C@@H]1COCC[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584983272 PVXKLFWXTAYUKI-PELKAZGASA-N 281.092 -0.340 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O 584986606 HBJLZJQMHCNHJX-ZMQVJYHMSA-N 287.124 -0.792 50 20 CBGD CN(CC(C)(C)C#N)C(=O)c1ccc(B(O)O)cc1 584992503 LMYKZVHECYWTGV-UHFFFAOYSA-N 260.102 -0.012 50 20 CBGD CC[C@H](NC(=O)c1ccc(B(O)O)cc1)C(C)(C)O 584994452 JNYSYONOSFAOTB-NSHDSACASA-N 265.118 -0.354 50 20 CBGD C[C@H](CNCc1ccccc1B(O)O)CN1CCOCC1 585025104 LVNKUQDRWXTWBV-CYBMUJFWSA-N 292.188 -0.576 50 20 CBGD C[C@@H]1C[C@@H](NCc2ccccc2B(O)O)CCN1C 585026056 BWHYTDBBFZZUNP-YPMHNXCESA-N 262.162 -0.061 50 20 CBGD CNC(=O)[C@H]1CCC[C@@H]1NCc1cccc(B(O)O)c1 585031413 FMLAUOMLKOKAGV-STQMWFEESA-N 276.145 -0.629 50 20 CBGD CCO[C@@H]1COCC[C@H]1NCc1ccc(B(O)O)o1 585034353 IJQJHSRQFRTWFW-GHMZBOCLSA-N 269.106 -0.757 50 20 CBGD CCOCC(C)=NNC(=O)[C@H]1CCS(=O)(=O)C1 726423293 FPDWWCAGOAVFQQ-VIFPVBQESA-N 262.331 -0.050 50 20 CBGD CCC(C)(C)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 726769120 GHXDQVYHOIRLBP-MRVPVSSYSA-N 291.373 -0.060 50 20 CBGD CC[C@H]1CN(CC(=O)NNC(=O)C2CC2)CCO1 733193578 XSOUAWFPGRDQJY-JTQLQIEISA-N 255.318 -0.345 50 20 CBGD C=C(C)CNC(=S)NNC(=O)C(=O)NC1CC1 747756854 XHJJOAIHZKYHPH-UHFFFAOYSA-N 256.331 -0.664 50 20 CBGD CC(=O)N[C@@H](CC(=O)NNc1ccc(F)cc1C)C(N)=O 748562590 JSDSTJHTVUPYSO-NSHDSACASA-N 296.302 -0.043 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)o1 752781286 RPMAZGIPEINLST-ZETCQYMHSA-N 251.242 -0.372 50 20 CBGD O=C(CO)NNC(=O)Nc1cnc2c(c1)COCC2 757939137 NQDOBPGTFHDXDR-UHFFFAOYSA-N 266.257 -0.701 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(F)c(F)c1 764303865 QCVZABOKPNACFB-UHFFFAOYSA-N 287.222 -0.303 50 20 CBGD Cn1ncc([N+](=O)[O-])c1C(=O)NNC(=O)N1CCOCC1 766840423 GFGWKNCNMOKZDD-UHFFFAOYSA-N 298.259 -0.985 50 20 CBGD COc1cc(C(=O)NNC(=O)Cc2ccncc2)nn1C 773241536 FLIMHTGFSIYAHS-UHFFFAOYSA-N 289.295 -0.173 50 20 CBGD C[C@H](O)[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 780359444 MKVLPKCBVDUTTK-WCBMZHEXSA-N 255.318 -0.754 50 20 CBGD CCNC(=O)N(C)NC(=O)CCCN1C(=O)CN(C)C1=O 780710374 ZSMCWPPJXBMLLO-UHFFFAOYSA-N 299.331 -0.647 50 20 CBGD Cc1cc(C(=O)NNC(=O)N2CCN(C)CC2)c(C)nn1 807378465 DXVKJVUTFAKIDF-UHFFFAOYSA-N 292.343 -0.305 50 20 CBGD CN(NC(=O)[C@@](C)(O)Cn1ccccc1=O)C1CC1 819651529 OARQJMGQNGDKJH-ZDUSSCGKSA-N 265.313 -0.275 50 20 CBGD O=C(CN1CCOC1=O)NNC(=O)[C@H]1CCCCO1 823236636 CVRZHWFMXRIEFS-MRVPVSSYSA-N 271.273 -0.845 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCCN1c1ncccn1 823912398 FDSWBWMAOLAFFV-MNOVXSKESA-N 279.344 -0.211 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(C(=O)O)c(F)c1 830596596 VOIKXNQYDIWJTD-UHFFFAOYSA-N 283.259 -0.154 50 20 CBGD Cn1ccnc1C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 853387828 PCDYVJZTEMUBOL-MNOVXSKESA-N 277.328 -0.267 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 855100787 JAPGWKIYDLXPKZ-XPUUQOCRSA-N 270.358 -0.441 50 20 CBGD Cc1nn(C)c(C)c1OCC(=O)NNC(=O)c1cc[nH]n1 855357374 HQRUMSWEJWSUAP-UHFFFAOYSA-N 292.299 -0.400 50 20 CBGD CC(C)OC(=O)[C@H](C)CNC(=O)NNC(=O)c1cn[nH]c1 858704040 CHQHMFROXDFKSR-MRVPVSSYSA-N 297.315 -0.059 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(F)cc2O)N1 862457658 NOFFRDFPUHPNDT-QMMMGPOBSA-N 281.243 -0.429 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CCCCN(C)C1=O 874193930 XKTQULOCDUWWKK-MRVPVSSYSA-N 256.306 -0.405 50 20 CBGD COCCN1CC[C@H](NC(=O)NN(C)C(=O)OC)C1 875309039 RCPWOYCTWSMRTB-VIFPVBQESA-N 274.321 -0.381 50 20 CBGD COC(=O)N(C)NC(=O)N[C@@H]1COCC[C@H]1OC 898077241 SAICWQXQJFJPCD-HTQZYQBOSA-N 261.278 -0.297 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCCc2nn[nH]c21 910147600 NZHGIEZDLKMUQJ-SFYZADRCSA-N 253.306 -0.432 50 20 CBGD CN1CCO[C@@H](C(=O)NNc2nc3ccccc3[nH]2)C1=O 913507820 SIWNUNSMHDIWRW-JTQLQIEISA-N 289.295 -0.137 50 20 CBGD CN(C)CCNC(=O)Cn1cc(NC(=O)CCl)cn1 1116437947 WNGVIVBOEAXASB-UHFFFAOYSA-N 287.751 -0.262 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ncc(C)s1 1116713537 LVNSMRVXEQUEJC-UHFFFAOYSA-N 258.259 -0.223 50 20 CBGD COCCN(C)NC(=O)c1c([N+](=O)[O-])cnn1C 1118384497 USGBYUBLXVCKGL-UHFFFAOYSA-N 257.250 -0.449 50 20 CBGD Cn1cc(S(=O)(=O)NNC(=O)c2ccc[nH]2)cn1 1317917463 GCGANJKBJXFKDU-UHFFFAOYSA-N 269.286 -0.629 50 20 CBGD COc1ccc(C(=O)NNC(=O)NC2CC2)nn1 1319002234 QVMMQQVDUFVETM-UHFFFAOYSA-N 251.246 -0.408 50 20 CBGD O=C(O)COc1cccc(C=NNC(=O)CCO)c1 1319068749 OUJSHFYMKXNCJX-UHFFFAOYSA-N 266.253 -0.018 50 20 CBGD COCC(=O)NN=Cc1ccc(C(=O)N(C)C)[nH]1 1319235034 FBGNSTHPRRTCPK-UHFFFAOYSA-N 252.274 -0.187 50 20 CBGD CC(CCO)=NNC(=O)Cc1cc(O)nc(O)n1 1323562874 ZTPIDSMRBMPPFE-UHFFFAOYSA-N 254.246 -0.695 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)Cn1cc(C2CC2)nn1 1325320021 BBYSDVIIIAFBPQ-UHFFFAOYSA-N 289.299 -0.731 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCc1ccnn1C 1325977596 ZCNQZWIUJMIWAQ-KOLCDFICSA-N 295.343 -0.282 50 20 CBGD COC1(C(=O)NNC(=O)c2cccnn2)CCOCC1 1331898236 RICRIXZVSYBCAQ-UHFFFAOYSA-N 280.284 -0.567 50 20 CBGD Cc1ccnc(NNC(=O)c2cn(C)c(=O)nc2O)c1 1340209930 NIHBFMJVKRYCJS-UHFFFAOYSA-N 275.268 -0.054 50 20 CBGD CC(C)(C)N1CCC[C@@H](C(=O)NNC(=O)CCN)C1=O 1575140349 RIUCNHSQFYISMF-VIFPVBQESA-N 284.360 -0.480 50 20 CBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)C1CCOCC1 1594228129 KAGXIXPPNIGHES-KRTXAFLBSA-N 270.285 -0.329 50 20 CBGD Cc1nnc(NNC(=O)c2ccc(C(=O)O)o2)nc1O 1600798730 XDWUJFZAPDEUES-UHFFFAOYSA-N 279.212 -0.066 50 20 CBGD Cc1ccc(NNC(=O)NCCNC(=O)C2CC2)nn1 171554870 AKXOHRYUTHKONH-UHFFFAOYSA-N 278.316 -0.063 50 20 CBGD C[C@H](CN1CCOCC1)NC(=O)NNc1cccnn1 172488133 BZNBPXSEHRCFIE-SNVBAGLBSA-N 280.332 -0.177 50 20 CBGD CN(C)C(=O)CCCC(=O)NNC(=O)N1CCOCC1 266819817 HQDIMYDNMSDZMF-UHFFFAOYSA-N 286.332 -0.682 50 20 CBGD CCOC(=O)NCCCC(=O)NNC(=O)CN(C)C 269878080 XIVPURGJATZRGW-UHFFFAOYSA-N 274.321 -0.778 50 20 CBGD O=C(CC1OCCCO1)NNC(=O)c1ccccn1 276564189 HNGNVMVBYWNBHG-UHFFFAOYSA-N 265.269 -0.004 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CC(=O)N(C)C1 281339260 UPMKNNGUGGEAKZ-SSDOTTSWSA-N 256.331 -0.854 50 20 CBGD C#CCO[C@@H](C)C(=O)NNC(=O)C(=O)NC(CC)CC 294850705 GIAHROQMBHGPRA-VIFPVBQESA-N 283.328 -0.523 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CCN(c2ccccc2F)C1 365595116 KZLDGORUNJJGTI-SECBINFHSA-N 281.287 -0.208 50 20 CBGD COC(=O)NCCC(=O)NNc1ncnc2[nH]cnc12 491759890 UPEUULJRDRJRFG-UHFFFAOYSA-N 279.260 -0.458 50 20 CBGD COC[C@@H](C)CNC(=O)c1cc(B(O)O)ccc1F 584935494 MIOWSRRMQQLPRZ-QMMMGPOBSA-N 269.081 -0.482 50 20 CBGD O=C(NCC1CCOCC1)c1cc(B(O)O)ccc1F 584936272 GHXOVUNTDBPMQP-UHFFFAOYSA-N 281.092 -0.338 50 20 CBGD C[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@@H]1CCOC1 584949335 DNKNEZJULUBJQN-WCBMZHEXSA-N 281.092 -0.340 50 20 CBGD CSCCN(C)C(=O)c1ccc(B(O)O)c(F)c1 584958289 PXVYUMCKRPZYFN-UHFFFAOYSA-N 271.122 -0.060 50 20 CBGD C=CCCOCCNC(=O)c1cc(B(O)O)ccc1F 584967220 SDSSQHYPJOAGAW-UHFFFAOYSA-N 281.092 -0.172 50 20 CBGD C[C@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@@H]1O 584971102 XFUKOMLWSLFEBL-UFBFGSQYSA-N 281.092 -0.652 50 20 CBGD COCC[C@H](C)CNC(=O)c1cc(B(O)O)ccc1F 585001909 HUGPQKHDUJGUFR-VIFPVBQESA-N 283.108 -0.092 50 20 CBGD CC(C)[C@@H](CCO)NCc1cccc(B(O)O)c1 585024780 CNEHHJBSWCSQFU-CYBMUJFWSA-N 251.135 -0.137 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCc3c[nH]nc3C2)c(F)c1 585029701 BIVGOKRIBUJKDG-GFCCVEGCSA-N 289.119 -0.124 50 20 CBGD O=C1CC[C@H](NCc2ccc(B(O)O)cc2)[C@@H](C2CC2)N1 585040788 AXGHKRLGYTVVRB-DZGCQCFKSA-N 288.156 -0.487 50 20 CBGD OC[C@H](CNCc1ccc(B(O)O)o1)c1cccnc1 585041680 SHJIVYCGJWDJHY-NSHDSACASA-N 276.101 -0.780 50 20 CBGD OB(O)c1ccc(CNCCC[C@@H]2CCOC2)o1 585044795 ULTFHUUGFZWXIM-SNVBAGLBSA-N 253.107 -0.134 50 20 CBGD C[C@H]1C[C@H](NCc2ccc(B(O)O)cc2F)CO1 585047660 FDNARSOAILYWNK-KWQFWETISA-N 253.082 -0.228 50 20 CBGD O=S(=O)(C[C@@H]1CCCC1(F)F)NCB(O)O 585059381 LOMUEAGCFDVNKX-LURJTMIESA-N 257.067 -0.647 50 20 CBGD CCOCC(C)=NNC(=O)[C@@H](C)NS(C)(=O)=O 728434987 SFFRJYHYJYWZEH-MRVPVSSYSA-N 265.335 -0.547 50 20 CBGD O=C(NNC(=O)c1cocn1)c1ccc(-c2nn[nH]n2)cc1 738134944 ZYHMDYWKZIGXRP-UHFFFAOYSA-N 299.250 -0.071 50 20 CBGD CN1CC[C@H](NC(=O)NNc2cccnn2)C1=O 738503201 PVTZMVMBUNHFSX-ZETCQYMHSA-N 250.262 -0.667 50 20 CBGD CN(C)N(C(=O)[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 756503677 HNRXHQZLXXEBHV-VHSXEESVSA-N 276.358 -0.342 50 20 CBGD O=C(NN=c1cc[nH]cc1Cl)[C@H]1CN2CCCN1CC2 764565593 IQAPYGQQXXPTIP-GFCCVEGCSA-N 295.774 -0.010 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)CC(F)(F)F)C1=O 776120085 RYULADBUJAPMKL-RXMQYKEDSA-N 267.207 -0.436 50 20 CBGD CCN1CCN(CCC(=O)NN(C)C(N)=O)CC1 778418893 WFHWYGQFPZUAMW-UHFFFAOYSA-N 257.338 -0.944 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CO[C@H](C)C1 784277853 SJUMKMLKPXJGHP-HRDYMLBCSA-N 272.301 -0.100 50 20 CBGD C[C@@H](C[S@](C)=O)NC(=O)NNC(=O)C1CCC1 784534466 ALKHABGZNZIRTR-SKLCBMLGSA-N 261.347 -0.116 50 20 CBGD Cc1cnn(C)c1S(=O)(=O)NNC(=O)c1cccn1C 795291518 WWYIWBQLBCNRRI-UHFFFAOYSA-N 297.340 -0.310 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCC1CC1 812500368 VTYDUDPKNZTRGZ-MRVPVSSYSA-N 291.373 -0.348 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCc1ccn(C)n1 815506313 SYUNMFXPBJXEAI-UHFFFAOYSA-N 276.300 -0.155 50 20 CBGD C[C@H](CO)N(C)NC(=O)Cc1nc(C2CC2)nn1C 823913256 QVXBBXPURFSRKW-MRVPVSSYSA-N 267.333 -0.421 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(CC#N)CC(=O)O 826754285 LQHFQPZYMOPYLU-SECBINFHSA-N 284.316 -0.521 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCOCC(F)(F)C1 829927035 JWBCXIUNBUNXBJ-UHFFFAOYSA-N 279.287 -0.243 50 20 CBGD COc1nccc(C=NNC(=O)N2CCN(C)CC2)n1 834974053 VTVBRIJLDPSXJW-UHFFFAOYSA-N 278.316 -0.224 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCCN1C 843971375 CEQZNPLODNJIHA-IVZWLZJFSA-N 255.318 -0.347 50 20 CBGD CO[C@H](CS(=O)(=O)NNC(=O)c1cc[nH]n1)C(C)C 849310619 HMHHTMWXVKDBHY-SECBINFHSA-N 290.345 -0.355 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H]2CCC[C@]2(N)C1 857086899 ZIFNMPXZECKNHN-CWSCBRNRSA-N 268.361 -0.255 50 20 CBGD O=C(CSCC(F)(F)F)NNC(=O)[C@@H]1CCC(=O)N1 862457457 JTPZWBUSAFTEMV-YFKPBYRVSA-N 299.274 -0.292 50 20 CBGD C=C(C)[C@@H](CC(=O)NNC(=O)[C@H]1CCC(=O)N1)OCC 862458121 XUMADDPBIFXWHW-NXEZZACHSA-N 283.328 -0.216 50 20 CBGD CCO[C@H](C(=O)NNC(=O)c1cn[nH]c1)C1CC1 862467064 NUIQVXUEVZTOOV-VIFPVBQESA-N 252.274 -0.014 50 20 CBGD O=C(Cn1nnc2c1CCCC2)NNC(=O)c1cn[nH]c1 862469488 LXGBCGHLIPJENZ-UHFFFAOYSA-N 289.299 -0.659 50 20 CBGD CCOC(=O)CCCNC(=O)c1ccc(B(O)O)cc1 863869350 KXNTWOXUXWFWKK-UHFFFAOYSA-N 279.101 -0.561 50 20 CBGD O=C(NC[C@@H]1CSCCS1)c1cccc(B(O)O)c1 863877144 UEVDTUKTHYSLIH-LLVKDONJSA-N 297.210 -0.055 50 20 CBGD O=C(NCCOCCF)c1cc(B(O)O)ccc1F 863886326 YREBJDUXSNMTKZ-UHFFFAOYSA-N 273.044 -0.779 50 20 CBGD CN(C)CC1(C(=O)NNC(=O)c2cccnn2)CC1 882057903 CGRAAIFPRMKQQQ-UHFFFAOYSA-N 263.301 -0.421 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cccc(C#CCO)c1 911449073 VWHYBWYAIXTJCX-NSHDSACASA-N 262.309 -0.012 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 920858372 FIFRESBXANJCSU-RITPCOANSA-N 296.249 -0.206 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)N[C@@H]1COC(=O)C1 923734318 NWSFDUWDLHQIMU-BYPYZUCNSA-N 269.179 -0.415 50 20 CBGD CC[C@@H]1C(=O)NCCCN1CC(=O)NNC(=O)C(C)C 933216605 NETYOHNCGKTFBJ-SNVBAGLBSA-N 284.360 -0.610 50 20 CBGD COCC(=O)NCCC(=O)NNC(=O)c1ccccc1O 1115896000 BHABQPKNERMSRC-UHFFFAOYSA-N 295.295 -0.694 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccn(C(C)C)n1 1256409808 VCLNMWRGBWMURY-UHFFFAOYSA-N 283.288 -0.804 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1CCn2cncc2C1 1319506479 KRIUGPCVTBLHBE-JTQLQIEISA-N 295.343 -0.188 50 20 CBGD CC(C)C(=O)N1CCC(C(=O)NN(C)C(N)=O)CC1 1319728837 LHEPDNAMYPCFHH-UHFFFAOYSA-N 270.333 -0.077 50 20 CBGD O=C1CC[C@H](C(=O)NNc2nc3ccccn3n2)N1 1320710169 CBTIEBZPRIKFDP-SSDOTTSWSA-N 260.257 -0.549 50 20 CBGD Cc1ccc(NNC(=O)NC[C@H]2CCS(=O)(=O)C2)nn1 1320794680 KYPWCMODRBUWSX-SECBINFHSA-N 299.356 -0.154 50 20 CBGD CNC(=O)c1cccc(C(=O)NNC(=S)NC(C)C)n1 1323921560 XVPLXRCXZGWCFH-UHFFFAOYSA-N 295.368 -0.042 50 20 CBGD O=C1COc2cc(C(=O)NNc3nc[nH]n3)ccc2N1 1324334749 NUJJZSGDLWRWRS-UHFFFAOYSA-N 274.240 -0.108 50 20 CBGD Cc1sc(=O)n(CC(=O)NNc2nc[nH]n2)c1C 1324335655 RVBRQQJRKUEAFU-UHFFFAOYSA-N 268.302 -0.212 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cc([C@H]2CCNC2)[nH]n1 1326352488 HBQKTNQCJNQVSV-QMMMGPOBSA-N 280.332 -0.207 50 20 CBGD Cc1cnn(C)c1S(=O)(=O)NNC(=O)N(C)C 1327854090 UMDDTXMFSDSURJ-UHFFFAOYSA-N 261.307 -0.807 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)OCC(F)(F)F)CN1 1328829804 ZIWGXENMJPFKKB-RXMQYKEDSA-N 283.206 -0.168 50 20 CBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)CC2CC2)nn1 1330483933 NHTMEMSCDCRCKN-SSDOTTSWSA-N 267.289 -0.721 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=O)C1CCOCC1 1330842600 XCPLRWUEKAPLQQ-UHFFFAOYSA-N 273.289 -0.741 50 20 CBGD Cc1cc(CC(=O)NNC(=O)C2CCN(C)CC2)n[nH]1 1332590854 OUJYARJXMNVPRJ-UHFFFAOYSA-N 279.344 -0.250 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H](C)c1nnc(C)o1 1337753902 WIEIBZOVZDWRCU-BQBZGAKWSA-N 269.305 -0.025 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@]1(C)C[C@H](O)CN1 1573735385 KRPPAPDQWBWXPZ-GZMMTYOYSA-N 258.322 -0.770 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)c1ccc(-c2cnn[nH]2)nc1 1578016181 WCHBPPAAQPQANL-UHFFFAOYSA-N 298.266 -0.335 50 20 CBGD Cn1nnc(NC(=O)NNC(=O)CCCN)c1C(F)F 1580015846 NMOCOYXFHKGPBN-UHFFFAOYSA-N 291.262 -0.356 50 20 CBGD C[C@H](CC(=O)O)C(=O)NNC(=O)c1ccnnc1 1592359348 CHFPYDRAGYMECT-ZCFIWIBFSA-N 252.230 -0.652 50 20 CBGD O=C(NNc1ncccc1C(=O)O)c1cnn(CCO)c1 1594780992 BTVVBOBGQKUQEQ-UHFFFAOYSA-N 291.267 -0.275 50 20 CBGD O=C(O)CC1(C(=O)NNC(=O)c2cnsn2)CCC1 1594976483 TWMOLBQTPIUTMV-UHFFFAOYSA-N 284.297 -0.056 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@H]2C[C@@H](C(=O)O)C2)n[nH]1 1600187182 QQGPPEMGFSAHJB-OCAPTIKFSA-N 280.284 -0.481 50 20 CBGD N#C/C=C\Cn1cnc2c(cnn2CC(=O)O)c1=O 1601061253 RYHKRUSWKZFWSC-UPHRSURJSA-N 259.225 -0.243 50 20 CBGD O=C(O)CNC(=O)NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 1602072212 WPMTYOVKXABHED-BIIVOSGPSA-N 286.357 -0.062 50 20 CBGD CCC(=O)NNS(=O)(=O)c1cc(C(=O)O)co1 1604859503 VIMFEDPQHYHFRR-UHFFFAOYSA-N 262.243 -0.303 50 20 CBGD COc1ccc(NC(=O)C(=O)NNC(=O)C(=O)O)cc1F 1607271476 SAQCGNUVMQDQJT-UHFFFAOYSA-N 299.214 -0.995 50 20 CBGD O=C(CC1CC1)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1609520224 JJBAPERRFLDCJQ-UHFFFAOYSA-N 275.272 -0.244 50 20 CBGD COc1cc(C(=O)O)ccc1NNC(=O)CCNC(N)=O 1610287697 MODXHVSXAOVWFW-UHFFFAOYSA-N 296.283 -0.105 50 20 CBGD C[C@@H](C(=O)NNC(=O)CN(C)C)N1[C@H](C)CC[C@H]1C 113426101 NMWLVWTVEBMROL-MXWKQRLJSA-N 270.377 -0.043 50 20 CBGD CCNC(=O)NNC(=O)CCS(=O)(=O)CC(C)C 139167019 XYFAQPMVDRRLBX-UHFFFAOYSA-N 279.362 -0.202 50 20 CBGD CC(C)CC(=O)NNC(=O)N[C@H]1CC(=O)N(C)C1 267487164 ITRLONXWKKUTDA-QMMMGPOBSA-N 256.306 -0.406 50 20 CBGD CNC(=O)C1(C(=O)NNc2ccc(C(=O)OC)cn2)CC1 270355260 HMJBNHZTZGMWIV-UHFFFAOYSA-N 292.295 -0.163 50 20 CBGD Cc1ccn2ncc(C(=O)NNC(=O)CN(C)C)c2c1 270981416 CLAFZXYNAUBUED-UHFFFAOYSA-N 275.312 -0.035 50 20 CBGD CN(NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C(N)=O 271357155 PEKKBZBGMZRPNN-HTQZYQBOSA-N 282.300 -0.797 50 20 CBGD CC(C)(O)C(=O)NNC(=O)Cn1ccc(C(F)(F)F)n1 277027168 GGKUUWOBNUBOLK-UHFFFAOYSA-N 294.233 -0.180 50 20 CBGD COC(=O)CSCCC(=O)NNC(=O)[C@@H]1CCCO1 294717570 SGJYNUPJMUBXBS-QMMMGPOBSA-N 290.341 -0.391 50 20 CBGD COC(=O)NCCCC(=O)NNC(=O)Cc1ccncc1 493051243 KSPMSWPHNDMQNJ-UHFFFAOYSA-N 294.311 -0.092 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)[C@H](C)CO1 584929077 ZMVXGWFPBRUNAN-ZJUUUORDSA-N 263.102 -0.384 50 20 CBGD C[C@H]1C[S@](=O)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584948975 JQBPXUQOMUDELJ-FFVOIRBGSA-N 299.132 -0.902 50 20 CBGD C[C@H](O)CCNC(=O)c1cc(B(O)O)ccc1F 584949821 VTBVOGSMOGWHTK-ZETCQYMHSA-N 255.054 -0.994 50 20 CBGD CC[C@@](C)(O)CNCc1ccc(B(O)O)cc1F 585014762 CTKSPGYNRQHFRI-GFCCVEGCSA-N 255.098 -0.244 50 20 CBGD OCCOc1ccccc1CNCc1ccc(B(O)O)o1 585025298 QNGSBVWIINGXEO-UHFFFAOYSA-N 291.112 -0.380 50 20 CBGD COC[C@@H](CCNCc1ccc(B(O)O)o1)OC 585045280 HDLQDJSQWPSYPI-SNVBAGLBSA-N 257.095 -0.900 50 20 CBGD CC(C)(C)c1ccc(C(=O)NCC(=O)NCB(O)O)cc1 585063403 YQIKPVDBQFNJGS-UHFFFAOYSA-N 292.144 -0.158 50 20 CBGD Cn1cc(C(=O)NNC(=O)C2CCCC2)c(=O)n(C)c1=O 734999850 ZZJOLGDUEBREMH-UHFFFAOYSA-N 294.311 -0.965 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CSc1nc(N)cc(N)n1 742447889 NWDGEDUQSCUSNF-UHFFFAOYSA-N 298.372 -0.073 50 20 CBGD COCCn1cc(C=NNC(=O)CN(C)C)cn1 743437205 BLIFOQZHTOSWCS-UHFFFAOYSA-N 253.306 -0.459 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)Cc1ccncc1 747428164 HRHINARJPGSHOR-SECBINFHSA-N 278.312 -0.314 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NOCC(C)C 750459872 HMHZQKCSCPPMBZ-VIFPVBQESA-N 277.321 -0.044 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 753442435 GJWDEICDMDNFRY-VIFPVBQESA-N 277.280 -0.821 50 20 CBGD CCC(CC)N1C[C@@H](C(=O)NNC(=O)CO)CC1=O 753444803 QJEDIMVDIPAPLC-QMMMGPOBSA-N 271.317 -0.837 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)C(C)(C)C)S(C)(=O)=O 754103727 DNVKZSOWZOHFRR-ZETCQYMHSA-N 279.362 -0.204 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@@H](CC(=O)OC)C1CC1 754519730 HRBVRHLMLXHFNH-SCZZXKLOSA-N 285.344 -0.136 50 20 CBGD COC[C@H](C)CC(=O)NNC(=O)C(=O)NC(C)C 755063530 NIHIIXWCGKYVAL-MRVPVSSYSA-N 259.306 -0.669 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc2c(c1)OCCCO2 755451196 ANNCIKDAWRXIIY-UHFFFAOYSA-N 281.268 -0.007 50 20 CBGD CC(C)(C)C(=O)NNC(=O)c1ccc2nnnn2c1 758177757 STLPFKWAQXBKGS-UHFFFAOYSA-N 262.273 -0.069 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](CC)[C@@H](O)C1 761129192 YJLATWOPVNPGLZ-GUBZILKMSA-N 257.334 -0.365 50 20 CBGD COCC(=O)NNC(=S)NCCCC(=O)OC 761838921 OIYJPIZMNMTKJR-UHFFFAOYSA-N 263.319 -0.919 50 20 CBGD CSCC[C@H](O)C(=O)NNC(=O)C(C)(C)O 768259249 GPTJSJZHSMNXTO-LURJTMIESA-N 250.320 -0.981 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(N)cn1 776457122 BAMGLDDBTAYGBE-ZETCQYMHSA-N 280.284 -0.234 50 20 CBGD CCNC(=O)N(C)NC(=O)C1(C(=O)NC)CCC1 780707093 WSCJITRVNQTBFD-UHFFFAOYSA-N 256.306 -0.405 50 20 CBGD CN(C)C(=O)NNC(=O)C(C)(C)S(=O)(=O)C1CC1 786017700 BAVLDEIPVZWUGN-UHFFFAOYSA-N 277.346 -0.355 50 20 CBGD C[C@]1(CCC(=O)NNC(=O)NC2CC2)CCC(=O)N1 793202200 URNDXLZJJXGTFA-GFCCVEGCSA-N 268.317 -0.072 50 20 CBGD Cc1cccc(C(=O)NNC(=O)c2cc(C(N)=O)c[nH]2)n1 794086424 UTBJPVJWNMLYHM-UHFFFAOYSA-N 287.279 -0.108 50 20 CBGD COC(=O)c1cncc(C(=O)NN(C)[C@@H](C)CO)c1 823939945 RSIIETUAADIWAF-QMMMGPOBSA-N 267.285 -0.174 50 20 CBGD O=C(CSc1ccccc1O)NNC(=O)[C@H]1CC(=O)N1 831458753 ALKHMVOPHXVUSL-SSDOTTSWSA-N 295.320 -0.480 50 20 CBGD O=C(NN[C@@H](C(=O)O)c1ccccc1F)[C@H]1COCCO1 833149545 UBZHNUWUZWQZEI-GHMZBOCLSA-N 298.270 -0.012 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)N(C)CC1CC1 842592695 NWULISPROUVOJI-WPRPVWTQSA-N 291.373 -0.381 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=S)NCCCN(C)C 843277831 UQAFPCXJLDHELA-NXEZZACHSA-N 288.417 -0.142 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](CNC)C1 843346799 QQOCTFNHBPQSCL-GHMZBOCLSA-N 270.377 -0.136 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CC1(O)CCC1 843966768 NAEVIMDQCHLFTH-BDAKNGLRSA-N 256.302 -0.136 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCN(C)C(C)(C)C1 846888101 GLPLCNMMTDNKKR-UHFFFAOYSA-N 270.377 -0.184 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cccc(F)n1)S(C)(=O)=O 856422333 SURKDTPEESQIIU-LURJTMIESA-N 289.288 -0.585 50 20 CBGD CC[C@H](C)CONC(=O)NNC(=O)[C@H]1CCC(=O)N1 858482463 YUOJLPNOMRGNOG-JGVFFNPUSA-N 272.305 -0.427 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCOC(=O)N2)o1 859955603 RNIUJZAXBRMHNW-ZETCQYMHSA-N 267.241 -0.152 50 20 CBGD O=C(Cc1cc(F)ccc1F)NNC(=O)[C@H]1CCC(=O)N1 862457055 ZYCPPJYSXZEHQY-SNVBAGLBSA-N 297.261 -0.067 50 20 CBGD C=C(C)C(C)(C)C(=O)NNC(=O)CS(C)(=O)=O 863465938 MYERBXSYJNRASJ-UHFFFAOYSA-N 262.331 -0.219 50 20 CBGD COC/C=C/C(=O)NNC(=O)Cc1cc(C)[nH]n1 869011928 ZONMBXYJKBAEIF-ONEGZZNKSA-N 252.274 -0.389 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C=C\CN1CCOCC1 869067769 HIZLOOLZLICUIP-ZZVHHRJTSA-N 297.355 -0.553 50 20 CBGD COC[C@@](C)(CO)NCC(=O)NNC(=O)c1ccccc1 879163374 HMBPOWAFZNUZCX-CQSZACIVSA-N 295.339 -0.565 50 20 CBGD CN1CCO[C@@H](C(=O)NNc2ccnc(F)c2)C1=O 907275866 ICCSOOTXIDPJTO-VIFPVBQESA-N 268.248 -0.479 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H](C)n1nnnc1C(C)(C)C 910154569 DGKDYIPRCCYSEJ-IUCAKERBSA-N 284.364 -0.125 50 20 CBGD CCCNC(=S)NNC(=O)[C@@H](C)CN1CCOCC1 916117940 RBKYPLKGZOXAHL-JTQLQIEISA-N 288.417 -0.140 50 20 CBGD COc1ccnc(NNC(=O)NC[C@H]2CCN2C)n1 925400306 PTHQIEUKSCVMQW-MRVPVSSYSA-N 266.305 -0.185 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)NCc2ccco2)CC1 1116020641 RSJJALUGVWMMTG-UHFFFAOYSA-N 266.257 -0.625 50 20 CBGD NC(=O)NCCCCC(=O)NNC(=O)CC1CC1 1117734635 CIOJAKKCLPQJQC-UHFFFAOYSA-N 256.306 -0.228 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)NC1CC1 1117739215 RBIIKDNAKMXRNL-SSDOTTSWSA-N 264.289 -0.667 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC[S@](C)=O 1118182631 FYAUCDPPLJNTAP-KEJSXXJDSA-N 277.346 -0.880 50 20 CBGD Cc1n[nH]c(C)c1[C@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1118884759 PSBIQQZLVHUYLA-IMTBSYHQSA-N 293.327 -0.444 50 20 CBGD NC(=O)C(=O)NN=CC1CCC2(CC1)OCCO2 1320993658 QIVNBYIFJIUEDM-UHFFFAOYSA-N 255.274 -0.493 50 20 CBGD CCO/C=C(/C#N)C(=O)NCCn1cnc(C#N)n1 1322750673 PPDMUCKDHVHPPG-CLFYSBASSA-N 260.257 -0.290 50 20 CBGD CCn1nncc1C=NNC(=O)[C@H]1CCC(=O)N1 1329111571 SWWAWOAAQNYDOQ-MRVPVSSYSA-N 250.262 -0.973 50 20 CBGD O=C1CC[C@H](C(=O)NN=Cc2ccc(CO)o2)N1 1330143671 UBLILYUTYXWKDL-SECBINFHSA-N 251.242 -0.499 50 20 CBGD CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)c1cc[nH]n1 1335979318 AYNKLFOBRVQJFM-VXNVDRBHSA-N 252.274 -0.014 50 20 CBGD CNC(=O)c1ccc(C)c(NC(=O)NNC(=O)CCO)c1 1342675057 OMWQBEJWOLPUFQ-UHFFFAOYSA-N 294.311 -0.110 50 20 CBGD NC(=O)c1ccc(C(=O)NNc2nc3ccccn3n2)cn1 1343569448 WPCUFGMDCOYQLZ-UHFFFAOYSA-N 297.278 -0.020 50 20 CBGD CN(N)C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 1573882852 QKBXEJAZVBBLIG-UHFFFAOYSA-N 271.342 -0.189 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)[C@]12CNC[C@@H]1C2 1580627929 GUUSZVZNALJMQO-YLWLKBPMSA-N 266.223 -0.511 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnc(C(=O)O)c1 1594645220 QJZOGXUOGALNRT-VXNVDRBHSA-N 293.279 -0.034 50 20 CBGD CCNC(=O)CC(=O)NNc1ccc(C(=O)O)cn1 1596456419 ODDQAPLLVRYOHU-UHFFFAOYSA-N 266.257 -0.251 50 20 CBGD O=C(Cn1cccc(C(=O)O)c1=O)NNc1ncccn1 1601387699 NEYYWEYHKFULML-UHFFFAOYSA-N 289.251 -0.520 50 20 CBGD CC(=NNC(=O)[C@H]1CCCCO1)c1cn(CC(=O)O)nn1 1602737278 KXCJHAJUGYZDQF-SNVBAGLBSA-N 295.299 -0.228 50 20 CBGD CC(C)NC(=O)NNC(=O)c1cnc(C(=O)O)cn1 1603075359 POGNWEOHTKGJLD-UHFFFAOYSA-N 267.245 -0.473 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H](C1CCC1)C1CC1 1610699220 MYZKEFIZVPWWQY-MRVPVSSYSA-N 255.274 -0.020 50 20 CBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1 7239692 VXVKLNKOTBPLGZ-JTQLQIEISA-N 282.321 -0.118 50 20 CBGD CNC(=O)NNC(=O)c1cccnc1N1CCOCC1 48950581 VXAGUWZPADCSJC-UHFFFAOYSA-N 279.300 -0.508 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)c1ccc[nH]c1=O 82978112 OGGGOIVJELPVDS-UHFFFAOYSA-N 272.264 -0.226 50 20 CBGD O=C([C@@H]1CCCO1)N1CCN(S(=O)(=O)CCl)CC1 104341755 SVLSHNMHLBGQFT-VIFPVBQESA-N 296.776 -0.164 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)c1cccc(N(C)C)c1 270420226 CUMBFMDOAMXPFK-UHFFFAOYSA-N 293.327 -0.557 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCN(C(=O)CC)C1 272663091 ICSCFGXNBFVIST-SECBINFHSA-N 270.333 -0.063 50 20 CBGD O=C(NNC(=O)[C@@H]1CC[C@H](C(=O)O)O1)c1ccccn1 276223137 XVEPYJUTAYKUKC-DTWKUNHWSA-N 279.252 -0.525 50 20 CBGD C[C@H](Oc1cccnc1)C(=O)NNC(=O)C(C)(C)O 276241376 KXWGNIZOAWLSOP-QMMMGPOBSA-N 267.285 -0.233 50 20 CBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ncncc1F 294183413 WXBQQBUJWXJNOA-NTSWFWBYSA-N 254.221 -0.132 50 20 CBGD C#CCn1ccnc1C=NNC(=O)C(=O)N1CCCC1 491661541 KXZGIKCWQWNBPY-UHFFFAOYSA-N 273.296 -0.411 50 20 CBGD O=C(C[C@@H]1CCCC(=O)N1)Nc1cccc(B(O)O)c1 584912178 PWWQOXICJNNYIN-NSHDSACASA-N 276.101 -0.636 50 20 CBGD COC[C@](C)(C#N)NC(=O)c1cc(B(O)O)ccc1F 584961876 BTOQZCZHJGCJHO-LBPRGKRZSA-N 280.064 -0.836 50 20 CBGD O=C(NC[C@H](O)C1CC1)c1cc(B(O)O)ccc1F 584961946 CLQXYDGKUHHVTA-NSHDSACASA-N 267.065 -0.994 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@H]2[C@H](C1)C2(F)F 585004943 SBNBCFDTXBXLNM-UWVGGRQHSA-N 267.040 -0.297 50 20 CBGD COCCN1CCC(NCc2ccc(B(O)O)cc2)CC1 585019599 OZAKGNJNLZRRDB-UHFFFAOYSA-N 292.188 -0.433 50 20 CBGD C[C@H]1CCCN1CCNCc1ccccc1B(O)O 585033747 JPIZRNQVFLTKAB-LBPRGKRZSA-N 262.162 -0.060 50 20 CBGD COC1CCN(CCNCc2ccc(B(O)O)cc2)CC1 585035221 ZSBWTTLAINYBAM-UHFFFAOYSA-N 292.188 -0.433 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CC1CCCC1 749940786 OAYLZKNSXBAVEJ-QMMMGPOBSA-N 291.373 -0.348 50 20 CBGD C[C@]1(CNC(=O)NNC(=O)C(=O)NC2CC2)CCCO1 756083716 FXCOLTDMAMXKFW-GFCCVEGCSA-N 284.316 -0.836 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(C)(O)CC1 759765488 BLJGWAOONUJOMH-SECBINFHSA-N 257.334 -0.221 50 20 CBGD C[C@H]1CSCC1=NNC(=O)[C@@H](C)NS(C)(=O)=O 794905217 SHMLEFCHERUZAU-NKWVEPMBSA-N 279.387 -0.221 50 20 CBGD COC(=O)NNS(=O)(=O)C[C@@H]1CCCOC1 795279210 RSNABQXYKLWMCT-SSDOTTSWSA-N 252.292 -0.397 50 20 CBGD CC1=C(C(=O)NNC(=O)C2CC2)S(=O)(=O)CCO1 798272889 LIGSWVKWIPMGEZ-UHFFFAOYSA-N 274.298 -0.780 50 20 CBGD CC(C)C(=O)NNC(=O)C(C)(C)N1CCOCC1 801104615 UPTRGPJOADMMKE-UHFFFAOYSA-N 257.334 -0.099 50 20 CBGD CN(C)CC(=O)NNC(=O)Cc1n[nH]c2c1CCCC2 806770868 DCJGCIAFVSCRJP-UHFFFAOYSA-N 279.344 -0.460 50 20 CBGD Cn1cc(C=NNC(=O)N2CCOCC2)c(O)n1 814220000 UUFHAMRLYUQDGZ-UHFFFAOYSA-N 253.262 -0.499 50 20 CBGD CCN(CCO)NC(=O)c1ccc(C(=O)OC)nc1 823841191 FBXIZLBQANCRAN-UHFFFAOYSA-N 267.285 -0.173 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCC(=O)N(C)C 825785079 DXVAINKVTKVZMH-IUCAKERBSA-N 286.332 -0.780 50 20 CBGD O=C(NN[C@@H](C(=O)O)c1cccnc1)c1cnccn1 833148429 JEKAYEQKYFYMHH-SNVBAGLBSA-N 273.252 -0.068 50 20 CBGD COC(=O)[C@H]1C[C@@H](NC(=O)NNC(=O)[C@H]2CCCCO2)C1 840454790 LRZMIPYMZMUCJQ-KXUCPTDWSA-N 299.327 -0.163 50 20 CBGD COC(=O)CNC(=O)NN=C(C)C[C@@H]1CCCC(=O)N1 841634447 TXLUZPCNFPSAIN-VIFPVBQESA-N 284.316 -0.107 50 20 CBGD COCC1(CC(=O)NNC(=O)Cc2cc[nH]n2)CC1 843792080 PWVIXMYRIGBHCJ-UHFFFAOYSA-N 266.301 -0.084 50 20 CBGD COCCCNC(=S)N(C)NC(=O)C1(C)COC1 854283768 JSSSAEDHDDOFSG-UHFFFAOYSA-N 275.374 -0.103 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)C1CC1)c1cc[nH]n1 855355167 QQZXQOMPDHEESS-JTQLQIEISA-N 291.311 -0.428 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnc2ccnn12 862094659 OMRXGIAEORAOIT-RKDXNWHRSA-N 289.295 -0.085 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CCC=CO2)N1 862460985 KGEFWJXWQVIOEP-SFYZADRCSA-N 253.258 -0.895 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCCC(=O)N1C 907253343 SWNVFJWASWMOJY-QMMMGPOBSA-N 256.306 -0.310 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cc(C(=O)O)cs1 919961186 WCZNHCKJJHWIJS-UHFFFAOYSA-N 279.299 -0.431 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](C2OCCO2)C1 927989243 CYMYMGSUHSIBEB-LLVKDONJSA-N 291.112 -0.799 50 20 CBGD CN1CC[C@H](NC(=O)NNC(=O)Cc2ccncc2)C1=O 1116630828 RJDDVVXSIVCPHJ-JTQLQIEISA-N 291.311 -0.815 50 20 CBGD NC(=O)CCCC(=O)NNC(=O)c1n[nH]c2c1CCCC2 1116824919 GAPLRTQBVNRZSK-UHFFFAOYSA-N 293.327 -0.295 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccon1 1118182433 CDQKNNVGBGEYAW-VXNVDRBHSA-N 268.273 -0.070 50 20 CBGD COCc1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)no1 1261833324 SYLDQRHULCIXLL-VIFPVBQESA-N 266.257 -0.450 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@]2(F)CCOC2)n[nH]1 1261878670 SAYZBACHCWEAQZ-LLVKDONJSA-N 270.264 -0.463 50 20 CBGD CC(C)NC(=S)NNC(=O)c1c[nH]c(C(N)=O)c1 1319226568 FLAPJBMJEOLVCP-UHFFFAOYSA-N 269.330 -0.369 50 20 CBGD Cn1cc(C(=O)NNC(=O)CO)c(-c2cccnc2)n1 1320076792 JRORYGQXMUFWQT-UHFFFAOYSA-N 275.268 -0.765 50 20 CBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cccc(F)c1 1320579971 KLJGXKZTOVJOQK-UHFFFAOYSA-N 283.215 -0.915 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CC=CCC1 1323431420 FLUFXJHYMXPCSA-MRVPVSSYSA-N 255.274 -0.154 50 20 CBGD CNS(=O)(=O)c1csc(C(=O)NN(C)C(N)=O)c1 1323535579 USLYOOOBIXPZCU-UHFFFAOYSA-N 292.342 -0.689 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1nccn1C 1328121194 YUHKTOHCBSXUSJ-IUCAKERBSA-N 281.316 -0.325 50 20 CBGD O=C(c1ncn(-c2ccccc2)n1)N1CC[C@H](B(O)O)C1 1329291312 CSVXOMAXJXXTQD-JTQLQIEISA-N 286.100 -0.044 50 20 CBGD O=C(NNc1ncnc2[nH]cnc12)[C@@H]1CCS(=O)(=O)C1 1329992667 XSVRSIROYXVYPM-ZCFIWIBFSA-N 296.312 -0.769 50 20 CBGD O=C(NNC(=O)c1cccc(-n2cncn2)n1)NC1CC1 1330234101 MSFJCZNOCZHSIZ-UHFFFAOYSA-N 287.283 -0.231 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCN1C 1331518396 CQVVJVGPSKFHIK-UTLUCORTSA-N 297.359 -0.922 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@H](C)c1noc(C)n1 1337753738 VGYNJAIRTVANSN-RNFRBKRXSA-N 269.305 -0.025 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(F)cn1 1344611512 OPEMKCCGMHSCJX-UHFFFAOYSA-N 268.248 -0.494 50 20 CBGD COCCCOCCC(=O)N1CC[C@H](B(O)O)C1 1348490352 QDETVPXIHPLDGP-JTQLQIEISA-N 259.111 -0.495 50 20 CBGD O=C(NCc1ccccn1)c1cccc(B(O)O)c1 1503999553 LKKPMWPXBZNCEU-UHFFFAOYSA-N 256.070 -0.309 50 20 CBGD C[C@H](NC(=O)NNC(=O)c1ccc[nH]1)c1nnnn1C 1527970274 XUEHJPZWPJAKGK-LURJTMIESA-N 278.276 -0.757 50 20 CBGD NCC[C@H](NC(=O)NNC(=O)c1ccnnc1)C(F)F 1580283274 LTFXCCOUYDZAER-ZETCQYMHSA-N 288.258 -0.597 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1sccc1-c1nn[nH]n1 1589882820 SQZGMIUSHXCZMB-ZCFIWIBFSA-N 282.329 -0.114 50 20 CBGD COC(=O)C(=O)NN=C(C)c1ccc(-c2nn[nH]n2)s1 1591226526 YGKRQCHHXKMHCD-UHFFFAOYSA-N 294.296 -0.059 50 20 CBGD Cc1cc(C(=O)NN(C)C[C@H](C)O)ncc1-c1nn[nH]n1 1591929322 WUYYDUQZUHFBFE-QMMMGPOBSA-N 291.315 -0.472 50 20 CBGD CN1C[C@@H](C(=O)NNc2ncccc2C(=O)O)CC1=O 1593772873 SQHZNWIFWMNPLW-ZETCQYMHSA-N 278.268 -0.299 50 20 CBGD CO[C@@](C)(C(=O)O)C(=O)NCCSS(C)(=O)=O 1593926050 WHPPSBZGQQFHBE-MRVPVSSYSA-N 285.343 -0.715 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)N[C@H]1C[C@H](C(=O)O)C1 1594783005 RFDFVYZDAHKTKD-VVULQXIFSA-N 297.311 -0.253 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1598661683 JOCIHEJSRBHBNM-RITPCOANSA-N 261.303 -0.914 50 20 CBGD O=C(CN1CCOCC1=O)NNc1ccccc1C(=O)O 1610663038 BXBSKMVIDUWDEX-UHFFFAOYSA-N 293.279 -0.313 50 20 CBGD CS(=O)(=O)CC(=O)NN=Cc1ccccc1C(=O)O 1776097191 QNSFXALPODZXNC-UHFFFAOYSA-N 284.293 -0.121 50 20 CBGD CC(C)NC(=O)NNC(=O)c1ccc(C(N)=O)nc1 49467591 XDYMYSAJRRKPRW-UHFFFAOYSA-N 265.273 -0.467 50 20 CBGD CCNC(=O)NNC(=O)c1ccccc1OCC(N)=O 139229114 WMFJJJFSWIHQJM-UHFFFAOYSA-N 280.284 -0.485 50 20 CBGD CCOC(=O)/C(C#N)=C/NC[C@H]1CN2CCN1CC2 178981881 OVNCSOKBTNRPNZ-OBIHZWKSSA-N 264.329 -0.454 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CCCN1Cc1ccc(F)cc1 180952101 WMITYRAANJFYBZ-GFCCVEGCSA-N 295.314 -0.070 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc(N2CCCC2)nn1 276324278 XBCVYEUNFPQJSR-UHFFFAOYSA-N 293.327 -0.391 50 20 CBGD Cn1cccc1C(=O)NNC(=O)COCc1ccnn1C 284435957 GTZCONDCJAMHPQ-UHFFFAOYSA-N 291.311 -0.264 50 20 CBGD CN(CCC(N)=O)CC(=O)NNC(=O)c1ccc(F)cc1 285394559 AKJGOZWSTZFRQC-UHFFFAOYSA-N 296.302 -0.606 50 20 CBGD CC[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)C(=O)OC 288138282 ZOYXYEKAEFLGQP-VIFPVBQESA-N 286.332 -0.826 50 20 CBGD O=C(CNC(=O)NNc1ncncc1F)NCC1CC1 292587260 BCHYQEIIUFUMFV-UHFFFAOYSA-N 282.279 -0.232 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)CC1 293937400 OUXXLUWTXKEYNI-YUMQZZPRSA-N 269.301 -0.773 50 20 CBGD CC(=O)NCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 298292917 ZXUDQFMGDBSWGM-LLVKDONJSA-N 293.279 -0.890 50 20 CBGD C[C@@H]1CN(S(=O)(=O)CBr)C[C@H](CO)O1 299918753 VLIAXHYDSVWALX-RNFRBKRXSA-N 288.163 -0.250 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2C[C@@]23CCOC3)n[nH]1 372053282 MILFRDAMYTUPFQ-PRHODGIISA-N 264.285 -0.094 50 20 CBGD CC(C)(O)C(=O)NNC(=O)/C=C\C1CCOCC1 492948357 GOARYZXMTHYJKI-ARJAWSKDSA-N 256.302 -0.113 50 20 CBGD Cn1ccnc1[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584967566 WTPPLKPBJGJZFR-LBPRGKRZSA-N 299.139 -0.270 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCCOC1 584988340 LKYSAXJTAQBPCU-UHFFFAOYSA-N 253.038 -0.675 50 20 CBGD CC(C)NC(=O)[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 585000374 LXFFPCXJVJYQBV-SECBINFHSA-N 278.117 -0.991 50 20 CBGD C[C@H](NCc1ccc(B(O)O)o1)[C@@H](C)N1CCOCC1 585023842 MKVSQOVREJZTMV-WDEREUQCSA-N 282.149 -0.842 50 20 CBGD CN(CCNCc1ccc(B(O)O)o1)CC(F)(F)F 585024347 UOGBXAVHEBNNFC-UHFFFAOYSA-N 280.055 -0.457 50 20 CBGD OB(O)c1ccccc1CNCCOC[C@@H]1CCCO1 585027593 BUXPYIRSCJMJOC-ZDUSSCGKSA-N 279.145 -0.348 50 20 CBGD CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NCc1ccc(B(O)O)o1 585040844 QMIHLLDULJLGFM-ZWNOBZJWSA-N 294.160 -0.258 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCNC(=O)C2)n[nH]1 754476636 ZABZIRRJAXRULE-SSDOTTSWSA-N 265.273 -0.995 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)C)[C@@]1(CO)CCOC1 763888827 RWLRIGQJRZGGCL-CYBMUJFWSA-N 287.360 -0.737 50 20 CBGD COC(=O)C1(NCC(=O)NNC(=O)C2CC2)CCCC1 767504172 OKBZNJUBFBICQL-UHFFFAOYSA-N 283.328 -0.381 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)c2ccc(O)cc2)nn1 768476547 PBQWNYANOXBEJS-UHFFFAOYSA-N 289.251 -0.168 50 20 CBGD CNC(=O)NCC(=O)NNc1nccnc1C(C)C 772891249 OMBXPRLJFAGMNK-UHFFFAOYSA-N 266.305 -0.028 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCCOCC1 776635873 PABKXDVNBJNPLX-SECBINFHSA-N 259.306 -0.078 50 20 CBGD CCCc1noc(CCCC(=O)NNC(=O)CO)n1 777782673 JJLPAXHBTDERHM-UHFFFAOYSA-N 270.289 -0.516 50 20 CBGD C[C@@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)[C@H](C(N)=O)C1 778294280 RNNDJAJFMUQFRP-ZJUUUORDSA-N 298.387 -0.234 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H]2C[C@@]2(CO)C1 782606464 RUYXTJIURAONPR-AUTRQRHGSA-N 255.318 -0.754 50 20 CBGD O=C(CCCO)NN/C=C1\C(=O)NC(=O)c2ccccc21 783678735 CXNRJOZQEWMRJJ-FLIBITNWSA-N 289.291 -0.309 50 20 CBGD CC(=O)c1c[nH]c(C(=O)NNC(=O)N2CCN(C)CC2)c1 788167596 VHEXHBKYPJBUKO-UHFFFAOYSA-N 293.327 -0.181 50 20 CBGD CN(CCCCCO)CC(=O)NNC(=O)C1CC1 789339742 DQDKJTXJLHTREH-UHFFFAOYSA-N 257.334 -0.362 50 20 CBGD Cc1cccc(C(=O)NNC(=O)N[C@@H](C)C(=O)N(C)C)n1 792832273 PDPKNKLWJQAMDW-VIFPVBQESA-N 293.327 -0.189 50 20 CBGD COCc1cc(C=NNC(=O)C(=O)N2CCCC2)no1 794899153 HXJLJDRUMPELOL-UHFFFAOYSA-N 280.284 -0.107 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)CC(F)(F)F 806537769 WNCOOAMBUOXXPT-RXMQYKEDSA-N 267.207 -0.293 50 20 CBGD CC(C)[C@H](C(=O)NNC(=O)N1CCN(C)CC1)N(C)C 807380224 DJXUISQGAWFLSV-LLVKDONJSA-N 285.392 -0.439 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCC(=O)N1 808044301 YOTZQCOFHWJTSJ-MRVPVSSYSA-N 287.316 -0.798 50 20 CBGD COc1cnc(C(=O)NNC(=O)c2ccncc2)nc1 814682328 JWCMTQVIVADZCM-UHFFFAOYSA-N 273.252 -0.045 50 20 CBGD CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNC(=O)C(=O)N1CCCC1 824877136 KGKYERAOHSNGPE-NXEZZACHSA-N 297.355 -0.040 50 20 CBGD CCOCC(=O)NNC(=O)Nc1ccnc(COC)n1 825490501 ZVXUHBCYFWKEAF-UHFFFAOYSA-N 283.288 -0.188 50 20 CBGD C[C@H]1CN(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CCO1 827268445 OQGQELRXZACZHL-LPEHRKFASA-N 271.317 -0.127 50 20 CBGD Cc1nc[nH]c1CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843971479 QPDVEAIUGKRISI-RKDXNWHRSA-N 266.301 -0.167 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843979615 PLCFKGTTWPETOA-SFYZADRCSA-N 257.290 -0.915 50 20 CBGD O=C(C[C@H]1CC(=O)N1)NNC(=O)NC1CCCCC1 854192495 NDPMUFRBMSNFQU-SECBINFHSA-N 268.317 -0.072 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)[C@H]1CC(=O)N1 854510169 JHCHEZQKICNGFN-SECBINFHSA-N 277.280 -0.726 50 20 CBGD CNC(=S)N(C)NC(=O)CCS(=O)(=O)CC(C)C 854926055 UBCIISQTGAKRKW-UHFFFAOYSA-N 295.430 -0.085 50 20 CBGD COc1ccc(NNC(=O)CN2CC(=O)N(C)C2=O)nc1 861175757 WCZSISQCEGBTJE-UHFFFAOYSA-N 293.283 -0.573 50 20 CBGD CC(=O)c1ccccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862455546 GYNRUEAGMRTLNG-NSHDSACASA-N 289.291 -0.071 50 20 CBGD CCO/C=C(/C#N)C(=O)NCCOCC(=O)OC 862953372 NIEXNUMFZHJTRB-CLFYSBASSA-N 256.258 -0.264 50 20 CBGD CCOC(C)(C)C(=O)NNC(=O)N1CCN(C)CC1 868121768 SEUSCLPPHIZSLJ-UHFFFAOYSA-N 272.349 -0.210 50 20 CBGD COCCOCC(=O)NNC(=O)Cc1occc1C 869903067 ILTGXKKIOGBDBC-UHFFFAOYSA-N 270.285 -0.059 50 20 CBGD CCNC(=O)NNC(=O)C(C)(C)CN1CCOCC1 874193924 WPRPICZVJNODNU-UHFFFAOYSA-N 272.349 -0.305 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCO[C@H](OC)C1 878970309 NCHSBNVLSGUTSZ-WPRPVWTQSA-N 259.306 -0.763 50 20 CBGD CCS(=O)(=O)CC(=O)NNC(=S)NC(C)(C)C 899992435 XHFMNQZMEZRDSE-UHFFFAOYSA-N 281.403 -0.285 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2nccnc2Cl)CC1 908053949 CAICAMQFWSHSOW-UHFFFAOYSA-N 298.734 -0.268 50 20 CBGD C[C@@]1(C(=O)Nn2c(O)nnc2O)C[C@H]1Br 908371995 LIQXPEDPRPKLNT-WVBDSBKLSA-N 277.078 -0.067 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H](C)OC[C@H]1CCCO1 910168829 RFURULZXKMYUFL-HBNTYKKESA-N 260.334 -0.086 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)c1ccnnc1 911206290 PXPRJTUADBBYII-NSHDSACASA-N 273.296 -0.665 50 20 CBGD CC(C)SCC(=O)NNC(=O)CN1CCCC1=O 920435741 NHMGBBAOCNHLSO-UHFFFAOYSA-N 273.358 -0.102 50 20 CBGD CONC(=O)CNC(=O)NCCSSC 922389576 KZIXAURKAJXKSZ-UHFFFAOYSA-N 253.349 -0.026 50 20 CBGD O=C(CO)NNC(=O)c1cc(N2CCOC2=O)ccc1F 1116554364 POKGDBFNCKTXAJ-UHFFFAOYSA-N 297.242 -0.464 50 20 CBGD Cc1nn[nH]c1C(=O)NNc1nncc(N)c1Cl 1116859399 GEAVXGRJLHZKDQ-UHFFFAOYSA-N 268.668 -0.104 50 20 CBGD Cn1c(Cl)cnc1C=NNC(=O)CS(C)(=O)=O 1118952683 HRQDQVPGOCTEON-UHFFFAOYSA-N 278.721 -0.432 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@H](C)c1nnnn1C 1120795722 BKQNAMZKDLSGDB-QHRPWQPMSA-N 250.262 -0.169 50 20 CBGD COc1nc(Cl)c(C=NNC(=O)C(N)=O)n1C 1261234993 CUAQXLAUZQJUOK-UHFFFAOYSA-N 259.653 -0.983 50 20 CBGD O=C(CCl)NCCNS(=O)(=O)c1cccnc1 1319681213 DMBRIDFHGGFHMD-UHFFFAOYSA-N 277.733 -0.285 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@]1(C)CCO[C@H]1C1CC1 1320413886 QRVIZZIDIAIHCK-ZANVPECISA-N 299.327 -0.305 50 20 CBGD CC(C)NC(=O)C(=O)NN=Cc1ccc(C(=O)N(C)C)[nH]1 1322387242 KXXDYUVBLQJTGX-UHFFFAOYSA-N 293.327 -0.309 50 20 CBGD CCCS(=O)(=O)CC(=O)NNC(=O)c1cnn(C)c1 1322957370 KZBMRTRPGKJVGA-UHFFFAOYSA-N 288.329 -0.994 50 20 CBGD CCOCC(C)(C)CNC(=O)NNC(=O)C(=O)OC 1324676546 GVWPEAHEKHYZKC-UHFFFAOYSA-N 275.305 -0.448 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2CCCOCC2)N1 1329189685 ANHNRTIAWMSBFA-DTWKUNHWSA-N 284.316 -0.836 50 20 CBGD CC(F)(F)CCC(=O)NNC(=O)C(=O)NC1CC1 1337502811 MHIWFCGNHHCDGW-UHFFFAOYSA-N 263.244 -0.152 50 20 CBGD COC(=O)c1ccc(F)c(NC(=O)C(=O)NNC(C)=O)c1 1337696805 XLNUPCOPOISSNL-UHFFFAOYSA-N 297.242 -0.282 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)c1ccc(Cl)nc1 1574106183 UBSBWLAMVSHHKC-SSDOTTSWSA-N 287.659 -0.404 50 20 CBGD C[C@H]1NCCC[C@H]1NC(=O)c1cccc(B(O)O)c1 1579499254 GGCCNBNNGHZMQO-BXKDBHETSA-N 262.118 -0.763 50 20 CBGD C[C@]1(C(=O)O)CCN(C(=O)c2ccc(B(O)O)cc2)C1 1589196340 ZIPJRTDXLIJUPR-ZDUSSCGKSA-N 277.085 -0.697 50 20 CBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)[C@@H]1CCCCO1 1594228300 YGDITYALGSTLAW-LWINAJNOSA-N 270.285 -0.186 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CC[C@@](O)(C(=O)O)C1 1596860270 IFLJRPOICDFBNE-IOCXFXADSA-N 254.242 -0.522 50 20 CBGD COC(=O)NNC(=O)Nc1ccc(C(=O)O)nn1 1598884325 UTBJVIDITCYSOB-UHFFFAOYSA-N 255.190 -0.433 50 20 CBGD Nc1ncn(CC(=O)NNc2ccc(F)c(C(=O)O)c2)n1 1601221882 FOICRLUUMPRXRJ-UHFFFAOYSA-N 294.246 -0.159 50 20 CBGD O=C(NNc1ccc(-n2ccnc2)nn1)[C@H]1C[C@H]1C(=O)O 1601554105 JYWJGXMHMAKMRI-JGVFFNPUSA-N 288.267 -0.174 50 20 CBGD O=C(O)[C@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 1602211408 DEEBWMCUDOCGHH-LLVKDONJSA-N 277.085 -0.554 50 20 CBGD CNC(=O)CC(=O)NNc1cccc(C(=O)O)c1 1606265872 FGUACDBRNOITOE-UHFFFAOYSA-N 251.242 -0.036 50 20 CBGD CS(=O)(=O)/C(C#N)=C/c1cn(CC(=O)O)nn1 1777395602 YTTJXCXOOQNREB-FARCUNLSSA-N 256.243 -0.728 50 20 CBGD O=C(Cc1ccccc1)NNC(=O)CN1CCCC1=O 48375562 KDKLJUFUIWWJLP-UHFFFAOYSA-N 275.308 -0.001 50 20 CBGD O=C(CCn1cc([N+](=O)[O-])cn1)NNC(=O)c1ccc[nH]1 97681442 YQLQREFNXCJXEN-UHFFFAOYSA-N 292.255 -0.029 50 20 CBGD CNC(=O)[C@@H]1CCCCN1CC(=O)NNC(=O)C1CC1 112976821 JJIIMDFNRXHZLP-JTQLQIEISA-N 282.344 -0.856 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CCCN(C(C)=O)C1 263722864 SEXXUXZMVQHQSF-JTQLQIEISA-N 284.385 -0.074 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1ccncc1F 265926015 WJUJESPVUOLUQJ-UHFFFAOYSA-N 268.248 -0.093 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CCCC(=O)N1 270202513 GREHIBKVUVSYPQ-QMMMGPOBSA-N 264.285 -0.545 50 20 CBGD Cc1ccn(CC(=O)NNC(=O)NC2CC2)c(=O)c1 278215362 TUOINWGANILUMG-UHFFFAOYSA-N 264.285 -0.350 50 20 CBGD C[C@H](NC(=O)NNC(=O)C(C)(C)C)C(=O)NCCF 281778851 DEFHYBXZKGJQPZ-ZETCQYMHSA-N 276.312 -0.163 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H](OC)c1cnn(C)c1 286480243 VDZOIHFXRJCJSI-QMMMGPOBSA-N 256.262 -0.163 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1COc2ccc(F)cc2C1 368270987 DEJNTGAFZLDDHB-QMMMGPOBSA-N 268.244 -0.484 50 20 CBGD CC(C)[C@](C)(O)C(=O)Nc1cccc(B(O)O)c1 584914187 RLTHULJYMNVZKW-LBPRGKRZSA-N 251.091 -0.288 50 20 CBGD C[C@@H](CNC(=O)c1ccc(B(O)O)cc1)Cn1cccn1 584930851 SXNMWXCERCINEO-NSHDSACASA-N 287.128 -0.371 50 20 CBGD CN(CCNC(=O)c1ccc(B(O)O)cc1)C1CC1 584935058 ZRYHZOQNXYPNPI-UHFFFAOYSA-N 262.118 -0.810 50 20 CBGD N#C[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)C1CC1 584941175 FWONIZRMEIWHLX-LLVKDONJSA-N 262.049 -0.463 50 20 CBGD C[C@H]1C[C@@H](NC(=O)c2cc(B(O)O)ccc2F)CCN1C 584950741 KQJPESBKKLPKOX-ONGXEEELSA-N 294.135 -0.282 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC(CO)CC1 584964503 ITCHVDDFBLAFNI-UHFFFAOYSA-N 281.092 -0.650 50 20 CBGD CC[C@]1(CO)CCCN1C(=O)c1ccc(B(O)O)cc1 584979411 SWGNXNAECBXPSN-CQSZACIVSA-N 277.129 -0.257 50 20 CBGD C[C@H]1CSC[C@@H]1NC(=O)c1cccc(B(O)O)c1 584988286 JVJAAEMUESQWER-KWQFWETISA-N 265.143 -0.152 50 20 CBGD COCCN1CC[C@H](NCc2cccc(B(O)O)c2)C1 585029284 QEQYLTGHPWXENA-AWEZNQCLSA-N 278.161 -0.823 50 20 CBGD CC[C@@H](NCc1ccc(B(O)O)cc1F)[C@@H](O)C(F)F 585043964 WDLGAWUXQICPKM-GHMZBOCLSA-N 291.078 0.000 50 20 CBGD C[C@@H](NCc1cccc(B(O)O)c1)c1ccn(C)n1 585046072 MCEUPDSBGDKZIG-SNVBAGLBSA-N 259.118 -0.049 50 20 CBGD CN1C[C@@H](c2nc(-c3ccc(B(O)O)cc3)no2)CC1=O 585050539 CEMGLJUZVDLPQJ-VIFPVBQESA-N 287.084 -0.638 50 20 CBGD COc1ccc(OCCC(=O)NCB(O)O)cc1 585056664 SWNVFAYTDLMGLV-UHFFFAOYSA-N 253.063 -0.408 50 20 CBGD Nc1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cc1 585058825 QZTCBUKQKLJGIX-MRVPVSSYSA-N 270.119 -0.494 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@H]1CCC(=O)N1 726077500 XXJYYBVFZHKFIG-MRVPVSSYSA-N 288.373 -0.861 50 20 CBGD COc1ccccc1C(=O)NNC(=O)CS(C)(=O)=O 731491800 YVFLQLCROCZLSY-UHFFFAOYSA-N 286.309 -0.499 50 20 CBGD CN(C)CC(=O)NNC(=O)c1c[nH]nc1-c1ccncc1 733359668 XGFYUDWFBXMMOG-UHFFFAOYSA-N 288.311 -0.206 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)CCNC(=O)O 736263319 XPJMGROYANVZJI-UHFFFAOYSA-N 262.335 -0.062 50 20 CBGD O=C(O)NNS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 738660575 FQBSNMADZDFZEZ-UHFFFAOYSA-N 285.237 -0.969 50 20 CBGD CN(C)CC(=O)NNC(=O)CCCc1nc(C2CC2)no1 740082079 KVAVURBUXYUZHC-UHFFFAOYSA-N 295.343 -0.021 50 20 CBGD CCNC(=S)NNC(=O)C(=O)NC(CC)CC 740773132 WJMCDONFBMEOTD-UHFFFAOYSA-N 260.363 -0.194 50 20 CBGD O=C(CCn1ccccc1=O)NNC(=O)N1CCOCC1 745986006 IBXPTWFRDKQBEU-UHFFFAOYSA-N 294.311 -0.689 50 20 CBGD CCO[C@H](CC)C(=O)NNC(=O)N1CCOCC1 745996022 IUHYFHGBPKJIHH-SECBINFHSA-N 259.306 -0.126 50 20 CBGD Cn1cc(C(=O)NNC(=O)CC[C@@H]2CCOC2)cn1 751278226 WLOZNDUTJPDVCV-SECBINFHSA-N 266.301 -0.002 50 20 CBGD C[C@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)CO 753453010 VWDUBYSRHQVMKG-RDDDGLTNSA-N 266.253 -0.645 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)Cc1cn[nH]c1 754659980 OOLBFBUHWZCGIO-QMMMGPOBSA-N 253.306 -0.213 50 20 CBGD CC[C@@H]1CC[C@H](C(=O)NNC(=O)C(=O)NC(C)C)O1 756906752 ZUSKVYSCLFZULE-RKDXNWHRSA-N 271.317 -0.384 50 20 CBGD Cn1c(C(=O)NNC(=O)C(C)(C)O)ccc1[N+](=O)[O-] 768245461 AZHHVVHWVBZSIP-UHFFFAOYSA-N 270.245 -0.535 50 20 CBGD COCC(=O)NNC(=O)Nc1ncccc1OC 771805155 YGQYWBOPFADPGS-UHFFFAOYSA-N 254.246 -0.111 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccncc1N 772230571 HTJAOOAIYFLOEJ-SSDOTTSWSA-N 280.284 -0.234 50 20 CBGD CCOCC(=O)NNC(=O)NCc1ccc(OC)cn1 775090865 ZHTHUVZYSIWTAI-UHFFFAOYSA-N 282.300 -0.043 50 20 CBGD CC(C)(O)CN(CC(=O)NNC(=O)C1CC1)C1CC1 778216951 VHCDGPGKAITAOV-UHFFFAOYSA-N 269.345 -0.221 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1ccc(C#N)nc1 782477957 DPGXXCAEWPZEOF-UHFFFAOYSA-N 283.313 -0.192 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cncc(O)c1 786213434 ADDFCPBGDZBCFV-UHFFFAOYSA-N 294.311 -0.147 50 20 CBGD CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)NNC(=O)C1CC1 794576159 HFNKCNZJWQLMKB-UWVGGRQHSA-N 282.344 -0.952 50 20 CBGD Cc1cc(OCC(=O)NNC(=O)N2CCN(C)CC2)no1 807380108 PJEOBVLYCANFFF-UHFFFAOYSA-N 297.315 -0.650 50 20 CBGD CC(C)(C)NCCC(=O)NNC(=O)CN1CCCC1=O 828344250 PCCNEHQIKDBXQX-UHFFFAOYSA-N 284.360 -0.466 50 20 CBGD CC(=O)NCCN(C)[C@H](C)C(=O)NNC(=O)CC(C)C 830148302 QLEHTKYNKHVFTO-SNVBAGLBSA-N 286.376 -0.364 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCCN2C=O)n[nH]1 831424216 IZKRNOBHCRFFNR-VIFPVBQESA-N 265.273 -0.900 50 20 CBGD COc1cnc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)nc1 843657350 CULIHKGSQFLOCW-CBAPKCEASA-N 280.284 -0.329 50 20 CBGD Cc1cnn(C)c1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843663149 XBBHSVMXFDWOPL-BDAKNGLRSA-N 266.301 -0.085 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)NCCOCCF 852714804 LYMXCECTVKPSGJ-UHFFFAOYSA-N 284.291 -0.059 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H](CC)CO 854388211 BCSIHNMTMCXKFK-SECBINFHSA-N 276.333 -0.059 50 20 CBGD CN(CC(Cl)Cl)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 854481186 XVYAWWODZUCSRR-ZXFLCMHBSA-N 284.139 -0.339 50 20 CBGD Cc1ccc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)o1 862457086 ARQZLEWBGIRBBK-VIFPVBQESA-N 265.269 -0.443 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@H](C)C(=O)N(C)OC 863705662 BWVFHUUHXCAHBK-XZZQCUQZSA-N 255.274 -0.045 50 20 CBGD CC(=O)N(CC(=O)NNC(=O)CN(C)C)c1ccccc1 878681529 UUMQRQWUXFZOAG-UHFFFAOYSA-N 292.339 -0.252 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@]1(CC)CCNC1=O 887153143 JIKWXJBARNCYRM-CYBMUJFWSA-N 265.313 -0.146 50 20 CBGD COCCOCC(=O)NNC(=O)/C=C(/C)Cl 913433541 JXVYCZDJQGTMGK-ALCCZGGFSA-N 250.682 -0.061 50 20 CBGD CSCCONC(=O)NNC(=O)c1cnn(C)c1 1116880570 RPTKHEWZYWYFAD-UHFFFAOYSA-N 273.318 -0.341 50 20 CBGD Cc1nnc(NNC(=O)[C@H](C)n2ccnc2)nc1O 1317998059 DQIJTCCRNLVJNT-ZETCQYMHSA-N 263.261 -0.214 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCOc1ccccc1C 1318942708 RNXBFBABKUCTDR-UHFFFAOYSA-N 295.295 -0.123 50 20 CBGD O=C(NNC(=O)c1csc(O)n1)C(=O)N1CCCC1 1321055327 LAECWRROZKETMO-UHFFFAOYSA-N 284.297 -0.768 50 20 CBGD COC[C@H](O)CNC(=O)NNC(=O)c1cccc(C)n1 1321291163 QYGKECBLFJQYTF-SECBINFHSA-N 282.300 -0.659 50 20 CBGD NC(=O)CCCC(=O)NNc1ccc(-n2ccnc2)nn1 1322811185 KHHOKOIKFCXOMV-UHFFFAOYSA-N 289.299 -0.239 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCc2cnccn2)cn1 1324985721 ZDJNHYGNCRTVIX-UHFFFAOYSA-N 274.284 -0.396 50 20 CBGD Cn1nncc1NNC(=O)CNc1ccccc1C(N)=O 1330422885 GLOLISZQLDIUMC-UHFFFAOYSA-N 289.299 -0.531 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CCC(F)(F)C2)N1 1331805954 LNUHGHRBTKWSET-BQBZGAKWSA-N 275.255 -0.152 50 20 CBGD Cc1nnc(O)c(CNCc2cccc(B(O)O)c2)c1C 1332983118 WOMXJIGBIFLEHU-UHFFFAOYSA-N 287.128 -0.231 50 20 CBGD Cn1ncc2c(O)nc(NNC=C(C#N)C#N)nc21 1333819411 NGSVOTMMIGLPRK-UHFFFAOYSA-N 256.229 -0.084 50 20 CBGD Cc1nnc(CC(=O)NNC(=O)c2ccccn2)o1 1343671958 VTRFPMYUGCKXSU-UHFFFAOYSA-N 261.241 -0.223 50 20 CBGD COC[C@@H](C)NC(=S)NNC(=O)c1ncccn1 1345088874 DXNLDELNSXMODR-SSDOTTSWSA-N 269.330 -0.380 50 20 CBGD CO[C@@H]1CN[C@](C)(C(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)C1 1573960961 OMIWWAWOHUAPHC-SLVJWFQDSA-N 297.355 -0.532 50 20 CBGD Cc1cccc2ncc(C(=O)NNC(=O)NCCN)n12 1579784462 HLJOKAFBJVMWRW-UHFFFAOYSA-N 276.300 -0.455 50 20 CBGD C[C@]1(C(=O)O)CCCN1C(=O)c1cc(B(O)O)ccc1F 1589184852 HOXMFNWAULQIDL-CYBMUJFWSA-N 295.075 -0.415 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)O 1590939880 BPHNJYCFVSUMTH-JBLDHEPKSA-N 297.355 -0.025 50 20 CBGD COc1ccc(C=NNC(=O)CCO)cc1-c1nn[nH]n1 1591583058 ZNZJWDZEDPGDSM-UHFFFAOYSA-N 290.283 -0.292 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)C(=O)O)CC(F)F 1592676639 SUWXMIOTMZFEFX-SCSAIBSYSA-N 253.205 -0.307 50 20 CBGD O=C(NN=C1COC1)c1cccc(-c2nn[nH]n2)c1 1593155360 JNRAWQDPJXXHCK-UHFFFAOYSA-N 258.241 -0.017 50 20 CBGD Cc1ncc2c(n1)CCC[C@@H]2NC(=O)NNC(=O)C(=O)O 1600749850 GUACQZMUHVUTSF-VIFPVBQESA-N 293.283 -0.423 50 20 CBGD Cn1cc(C(=O)NN[C@@H](C(=O)O)c2cccnc2)nn1 1600931966 HWIYWQCXYCZUTB-SECBINFHSA-N 276.256 -0.730 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNc1ccc(C(=O)O)cn1 1606496311 WCRLXLPCNSQHCV-LURJTMIESA-N 282.256 -0.033 50 20 CBGD COCCOCC(=O)NN=Cc1cc(C(=O)O)nn1C 1776097778 BIMJKWYQACEEOO-UHFFFAOYSA-N 284.272 -0.769 50 20 CBGD CN(CC(=O)O)CC(=O)NNC(=O)c1ccccc1 35304908 NPJCSSLKVKOATE-UHFFFAOYSA-N 265.269 -0.536 50 20 CBGD CCOCC(=O)NN[C@@H](C(N)=O)c1ccccc1 66583762 YSZBCXNJASYMHJ-LLVKDONJSA-N 251.286 -0.130 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnc2ccccc2n1 75652954 HOTAPKOYNDHZQC-UHFFFAOYSA-N 273.296 -0.048 50 20 CBGD O=C(Cc1cc(F)ccc1F)NNC(=O)C(=O)NC1CC1 79330717 JMFGNDRVUSWTSC-UHFFFAOYSA-N 297.261 -0.067 50 20 CBGD Cc1n[nH]c(SCC(=O)NNC(=O)NC(C)C)n1 266841650 MVYSMOPOZYAPFB-UHFFFAOYSA-N 272.334 -0.056 50 20 CBGD COC(=O)c1cc(NC(=O)NNC(=O)CN(C)C)cn1C 274866553 VZLZMOUZTQSIPA-UHFFFAOYSA-N 297.315 -0.474 50 20 CBGD CCCc1[nH]nc(C(=O)NNC(=O)C(C)(C)O)c1[N+](=O)[O-] 276313277 VIJWCZVDYLQDTI-UHFFFAOYSA-N 299.287 -0.198 50 20 CBGD O=C(NNc1nnc[nH]1)[C@H]1COCCN1C1CCCC1 294080890 YYXQARJVSVAEOR-SNVBAGLBSA-N 280.332 -0.109 50 20 CBGD CC(=O)NNC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 298204157 XBIMGBOCPSUPMB-FXBDTBDDSA-N 281.312 -0.283 50 20 CBGD O=C(NNc1ncccn1)[C@H]1CN2CCCN1CC2 376200893 VOJAOMGIYPVFHI-SNVBAGLBSA-N 262.317 -0.690 50 20 CBGD COCC[C@H](C)C(=O)Nc1cccc(B(O)O)c1 405001646 NEXZIJPYSZHXTO-VIFPVBQESA-N 251.091 -0.023 50 20 CBGD O=C1CCC(=O)N1CCNS(=O)(=O)CCCCl 405367714 LSJZKYSITFYNKU-UHFFFAOYSA-N 282.749 -0.316 50 20 CBGD C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1cccc(B(O)O)c1 584911349 UTYLTAAHKMGJEX-MFKMUULPSA-N 293.128 -0.111 50 20 CBGD CC[C@H](C)N(C)CCNC(=O)c1cc(B(O)O)ccc1F 584940679 YOXMEDCGFHIBHT-JTQLQIEISA-N 296.151 -0.034 50 20 CBGD CC[C@H](NC(=O)c1cccc(B(O)O)c1)c1noc(C)n1 584955638 SGHLQCGOBXHRSL-NSHDSACASA-N 289.100 -0.061 50 20 CBGD OB(O)c1ccc(CNC[C@@H]2CCC[C@@H]2O)c(F)c1 585026507 HQFWLXBBHIXWNO-GWCFXTLKSA-N 267.109 -0.244 50 20 CBGD O=C1CC[C@@H](NCc2ccccc2B(O)O)[C@H](C2CC2)N1 585041427 CQMDHAGAUSOPRB-HIFRSBDPSA-N 288.156 -0.487 50 20 CBGD C[C@H]1CCCN1S(=O)(=O)N1CC[C@H](B(O)O)C1 585058982 WAMWFVFDKJUGJZ-IUCAKERBSA-N 262.140 -0.736 50 20 CBGD O=C(O)NCCC(=O)NNC(=O)NCC(F)(F)F 739937900 HLGYMOFMXFWOMF-UHFFFAOYSA-N 272.183 -0.463 50 20 CBGD O=C(CO)NNC(=O)c1cc(F)cc([N+](=O)[O-])c1 753438670 QNVHRQXOWACNND-UHFFFAOYSA-N 257.177 -0.513 50 20 CBGD COCC(=O)NNC(=O)Nc1c(C)ccn(C)c1=O 757631814 UATFYCHLVACLFE-UHFFFAOYSA-N 268.273 -0.507 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)Cc1ccccc1F 761157519 JBIZVVQSFYYMGO-UHFFFAOYSA-N 282.275 -0.555 50 20 CBGD CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NNC(=O)c1ccc[nH]1 766274666 DSUOIVWEWPETRM-IUCAKERBSA-N 293.327 -0.127 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 770664183 WFMASERNNVCDEU-GARJFASQSA-N 290.385 -0.096 50 20 CBGD COc1cccc(NNC(=O)CN2CCCNC2=O)n1 780768592 BDUVJLKDLITVIS-UHFFFAOYSA-N 279.300 -0.051 50 20 CBGD CN(C)C(=O)CNC(=O)C(=O)NNc1ccccc1 782682938 LXOUTOCEJCWIAQ-UHFFFAOYSA-N 264.285 -0.666 50 20 CBGD Cc1noc(C)c1C(C)(C)C(=O)NNC(=O)CO 798114250 ZVMQRCULJLZNMB-UHFFFAOYSA-N 255.274 -0.291 50 20 CBGD CC(=NNC(=O)C(N)=O)c1cnnn1-c1ccccc1 807944480 CKLPEUQKVDSLTP-UHFFFAOYSA-N 272.268 -0.407 50 20 CBGD CC[C@H](CNC(=O)NNC(=O)C(=O)NC1CC1)OC 812590346 XSOSUYWQANPGKA-MRVPVSSYSA-N 272.305 -0.980 50 20 CBGD CCn1nc(C)c(C(=O)NNC(=O)c2cnn(C)c2)n1 815646400 JCAUKVRISNOEQR-UHFFFAOYSA-N 277.288 -0.585 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)[C@H](C)C(=O)O 817858580 JPESNFNAFSRVPR-DTWKUNHWSA-N 273.333 -0.027 50 20 CBGD CO[C@@H]1COC[C@H]1NC(=O)NNc1ccc(C)nn1 827478790 UGJOIDYAYDACFV-RKDXNWHRSA-N 267.289 -0.175 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CC2(F)F)CC1 830240788 OZDBAIGDRQLCKQ-ZETCQYMHSA-N 262.260 -0.370 50 20 CBGD O=C(CC1CC1)NNC(=O)[C@@H]1CCCS1(=O)=O 848144386 SBNKWUBYDPMCOV-QMMMGPOBSA-N 260.315 -0.489 50 20 CBGD CC(=O)NCC(=O)NNc1ncc(Br)cn1 848320124 QOFNUVZBIUFEQY-UHFFFAOYSA-N 288.105 -0.182 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cccc(CO)c2)CC1 854379262 UWJPDCXVODKHRK-UHFFFAOYSA-N 292.339 -0.219 50 20 CBGD COCCN(C)NC(=O)[C@@H](C)n1cnc2c(N)ncnc21 854409818 MMRUAEKTBOYHRQ-MRVPVSSYSA-N 293.331 -0.421 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1ccn2nnnc2c1 854683966 XQCSUDTXMBZWEY-VIFPVBQESA-N 290.283 -0.546 50 20 CBGD O=C(NNC(=O)c1cnc2n1CCC2)c1cc[nH]n1 855354922 NFXCMOZMPHASHK-UHFFFAOYSA-N 260.257 -0.373 50 20 CBGD C[C@@H]1C[C@@H](C)N(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858696574 LYIXXOIONCIEJF-IWSPIJDZSA-N 268.317 -0.264 50 20 CBGD CCOC1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCCC1 862462425 QBFMSMXOXHJYIZ-SECBINFHSA-N 283.328 -0.238 50 20 CBGD Cn1nccc1COCC(=O)NNC(=O)c1cn[nH]c1 862470027 HQJZOSFHXGYWEV-UHFFFAOYSA-N 278.272 -0.879 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)c2cn[nH]c2)CC1=O 862473316 NTNSWCKCCLOUTC-SSDOTTSWSA-N 265.273 -0.961 50 20 CBGD CCS(=O)(=O)CC(=O)NN=c1cc[nH]c(C)c1 862510754 SBIZKABAVKTGTG-UHFFFAOYSA-N 257.315 -0.310 50 20 CBGD CCOC(=O)c1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)[nH]n1 863151963 YZUIXXCFULNCKS-QMMMGPOBSA-N 293.283 -0.685 50 20 CBGD O=C(COc1ccc(B(O)O)cc1)[C@@H]1CCOC1 863866591 WWPYRBULWCVOOM-SECBINFHSA-N 250.059 -0.649 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H](F)C(F)(F)F 869906268 JXBRYBBOBLTYJO-ZCFIWIBFSA-N 276.186 -0.303 50 20 CBGD CCn1nccc1C(=O)NNC(=O)COCCOC 869907776 RUBVXDTYWUJEHY-UHFFFAOYSA-N 270.289 -0.673 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1CCCCN(C)C1=O 874248791 JKUCOJUBKSHCED-MRVPVSSYSA-N 256.306 -0.453 50 20 CBGD C=C/C=C\CCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 883737634 FZTCWPRPIICDJO-TYRPZCRBSA-N 266.301 -0.272 50 20 CBGD C[C@H](O)CN(C)NC(=O)/C(C#N)=C\c1cnn(C)c1 910145241 RMQACMZOHGHKKI-SYUPGTOSSA-N 263.301 -0.329 50 20 CBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NN(C)C[C@@H](C)O 910150860 WYNPLOLAGQTCHT-RISCZKNCSA-N 297.355 -0.748 50 20 CBGD COCCOCC(=O)NNC(=O)/C=C(\C)Cl 913433547 JXVYCZDJQGTMGK-FNORWQNLSA-N 250.682 -0.061 50 20 CBGD CNS(=O)(=O)c1cccc(C(C)=NNC(N)=O)c1 915934207 WAHPFHBJIBQAQM-UHFFFAOYSA-N 270.314 -0.013 50 20 CBGD CS[C@H](C)C(=O)NNC(=O)CN1CCCC1=O 920436027 TZKBUZYUHQHWHP-SSDOTTSWSA-N 259.331 -0.492 50 20 CBGD CN(C)C(=O)CCCNC(=O)NNC(=O)c1cn[nH]c1 1118860038 PGYZWQIFNGCLDQ-UHFFFAOYSA-N 282.304 -0.778 50 20 CBGD CCOCCO[C@H](C)C(=O)N1CC[C@@H](B(O)O)C1 1118915594 IMDZVRQVGYGDHL-NXEZZACHSA-N 259.111 -0.497 50 20 CBGD CCn1nccc1C(=O)NNc1ccc(C(N)=O)nn1 1320720299 RLHOLHLQMBQOAN-UHFFFAOYSA-N 275.272 -0.451 50 20 CBGD COCc1cc(C(=O)NNC(=O)N2CCOCC2)no1 1323204744 SCMKHRWYFTXNLM-UHFFFAOYSA-N 284.272 -0.492 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc(OC(F)F)nc1 1325269239 UHGGJFDZGMOLPC-UHFFFAOYSA-N 288.210 -0.211 50 20 CBGD COc1nccnc1NNC(=O)C[C@H]1CCC(=O)NC1 1328675010 LUEQEQJOKGYSAW-MRVPVSSYSA-N 279.300 -0.155 50 20 CBGD COCCCCNC(=O)NNC(=O)c1cn[nH]c1 1328690632 XRUCCCXNHPEXPT-UHFFFAOYSA-N 255.278 -0.220 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 1329222290 HAIPKPTZUZWZKY-MUWHJKNJSA-N 279.300 -0.606 50 20 CBGD Cc1cocc1C(=O)NNC(=O)C(=O)NC1CC1 1329625741 JENMXKJBQHNYNQ-UHFFFAOYSA-N 251.242 -0.372 50 20 CBGD Cc1ccc(CNC(=O)NNC(=O)C(=O)NC2CC2)nc1 1332118836 JEVJYJYQVQHQGY-UHFFFAOYSA-N 291.311 -0.501 50 20 CBGD Cn1ccnc(NNC(=O)[C@@]2(F)CCOC2)c1=O 1342427761 QYJWPPXYVUERHS-SNVBAGLBSA-N 256.237 -0.648 50 20 CBGD CN(CC1CCOCC1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1351354368 XFIRPUHEQPPLDI-JTQLQIEISA-N 298.343 -0.636 50 20 CBGD C[C@@H](O)[C@H](N)C(=O)NNc1nc(-c2ccccc2)no1 1579420198 SPQSLENQFSUPEG-APPZFPTMSA-N 277.284 -0.112 50 20 CBGD NC[C@@H](O)CC(=O)NNc1nc(-c2ccccc2)no1 1580231840 JVYBJXAHWLFANX-VIFPVBQESA-N 277.284 -0.111 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCCCC(=O)O 1589415451 IDQOBCKEZBIXQJ-RKDXNWHRSA-N 287.316 -0.003 50 20 CBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)cn1)c1cn[nH]c1 1593158488 QXWSIRVYJNNJHB-UHFFFAOYSA-N 299.254 -0.940 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCc2cc(O)ccc2C1 1601552918 NNVHBDSPZFYBHE-SECBINFHSA-N 293.279 -0.336 50 20 CBGD O=C(O)CNC(=O)NN=C1COc2cc(O)ccc21 1602071155 DMEJNHITVTWXFA-UHFFFAOYSA-N 265.225 -0.128 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cc(-c2nn[nH]n2)cs1 1603566476 MZVZPRKLUNSHGO-LURJTMIESA-N 282.329 -0.114 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CCOCC1)c1cc[nH]n1 1605814710 PFFPQPNEINBGBO-UHFFFAOYSA-N 282.256 -0.948 50 20 CBGD O=C(O)c1ccnc(NC(=O)c2ccc(B(O)O)cc2)c1 1606531301 CLZIDJYQWXQXSQ-UHFFFAOYSA-N 286.052 -0.288 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cnc(C(=O)O)cn2)O1 1607463655 OLYXNWKLXFEVRP-RCOVLWMOSA-N 294.267 -0.497 50 20 CBGD NC(=O)c1cccc(C(=O)NNC(=O)NC2CC2)c1 49150590 QQRZCPBRYUDVDF-UHFFFAOYSA-N 262.269 -0.108 50 20 CBGD O=C(CCN1C(=O)CCC1=O)NNC(=O)NC1CC1 49151022 RYYRWWGFPYDBHA-UHFFFAOYSA-N 268.273 -0.982 50 20 CBGD CNC(=O)NNC(=O)CNC(=O)c1ccc(F)c(F)c1 57292340 LRPQGLJCAAUQDQ-UHFFFAOYSA-N 286.238 -0.345 50 20 CBGD O=C(CN1CCCCC1=O)NNC(=O)c1ccc[nH]1 120099287 CPFYVJLMAFGPAK-UHFFFAOYSA-N 264.285 -0.212 50 20 CBGD CC1(C)C[C@@H]1C(=O)NNC(=O)C(=O)N1CCCC1 120428375 VPEQJRVCAGPJRY-MRVPVSSYSA-N 253.302 -0.198 50 20 CBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1 126466678 XYLHBROIJSNWRV-UHFFFAOYSA-N 282.275 -0.527 50 20 CBGD CN(NC(=O)CNC(=O)c1cccc(F)c1)C(N)=O 179693377 WQTYTYMSZGQCNY-UHFFFAOYSA-N 268.248 -0.403 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](O)c1ccccc1 266785350 DIGDPVODKQKZAS-SNVBAGLBSA-N 279.296 -0.608 50 20 CBGD Cn1ccc(/C=C/C(=O)NNC(=O)C(=O)N2CCCC2)c1 276873189 KMGMSQDCFDOHKT-SNAWJCMRSA-N 290.323 -0.192 50 20 CBGD CC(=O)NNC(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1 281086383 DHVJJRGZDXFCKI-QMMMGPOBSA-N 271.273 -0.360 50 20 CBGD COC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)c1cnn(C)c1 285516202 OMQACCSULCXTAM-DTWKUNHWSA-N 280.284 -0.620 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=O)c1ccc[nH]1 298569834 DWCKSDIVFKQKSG-UHFFFAOYSA-N 254.246 -0.526 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)NCCn1cnc(C#N)n1 496152029 OTEXAKQVIAFWOJ-UHFFFAOYSA-N 295.303 -0.111 50 20 CBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNC(=O)c1ccccc1 496928129 HAKWNVBELPLHDQ-VXNVDRBHSA-N 263.253 -0.056 50 20 CBGD CC[C@@H](C(=O)Nc1cccc(B(O)O)c1)N(C)C 584913507 YJPUSLQMUANQFD-NSHDSACASA-N 250.107 -0.355 50 20 CBGD C[C@H]1C[C@H]1CNC(=O)c1cc(B(O)O)ccc1F 584929169 JWYDDIHFVHCNFH-YUMQZZPRSA-N 251.066 -0.109 50 20 CBGD CCN1CC[C@H](N(C)C(=O)c2ccc(B(O)O)cc2)C1 584941552 KTIJPKFRDGPTGT-ZDUSSCGKSA-N 276.145 -0.467 50 20 CBGD CN1CCC(CN(C)C(=O)c2ccc(B(O)O)cc2)CC1 584942856 NPHPTTXAICNSLP-UHFFFAOYSA-N 290.172 -0.220 50 20 CBGD O=C(NCCOC[C@H]1CCOC1)c1cccc(B(O)O)c1 584943043 ZTJYGQFIVVWMGV-NSHDSACASA-N 293.128 -0.851 50 20 CBGD CSC[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 584947801 BNUMTUKIQSPPQR-MRVPVSSYSA-N 253.132 -0.152 50 20 CBGD Cn1ccnc1[C@@H](NC(=O)c1cccc(B(O)O)c1)C1CC1 584988690 RHTLRCQQZVYTRQ-ZDUSSCGKSA-N 299.139 -0.019 50 20 CBGD CN1CC[C@]2(CCN(C(=O)c3cccc(B(O)O)c3)C2)C1 584993069 VTHQBWRWWPQSFQ-HNNXBMFYSA-N 288.156 -0.466 50 20 CBGD CN1CC[C@@]2(CCN(C(=O)c3cccc(B(O)O)c3)C2)C1 584993071 VTHQBWRWWPQSFQ-OAHLLOKOSA-N 288.156 -0.466 50 20 CBGD C[C@@H]1C[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H](C)O1 585001995 JTTHCWPPMQNILY-FOGDFJRCSA-N 277.129 -0.090 50 20 CBGD C[C@H]1SCC[C@H]1NC(=O)c1ccc(B(O)O)cc1 585003579 ULHPPZLCIDEBQL-LDYMZIIASA-N 265.143 -0.010 50 20 CBGD C[C@@H](O)CC(C)(C)CNCc1ccc(B(O)O)o1 585025319 RDNYFDNXUYQVLL-SECBINFHSA-N 255.123 -0.154 50 20 CBGD OB(O)c1ccccc1CNCCCCn1ccnn1 585034024 FASNILRROQBPRH-UHFFFAOYSA-N 274.133 -0.472 50 20 CBGD CCN1CCCC[C@@H]1C(=O)N1CC[C@H](B(O)O)C1 585079391 ZUAGHEFIMONIAW-WDEREUQCSA-N 254.139 -0.064 50 20 CBGD COC(=O)NNS(=O)(=O)c1n[nH]c(C)c1C(=O)OC 732047212 UVXXYHROKFUGQM-UHFFFAOYSA-N 292.273 -0.946 50 20 CBGD O=C(CN(CCO)CC1CC1)NNC(=O)C1CC1 733199439 XZPUPVTVHKZNTN-UHFFFAOYSA-N 255.318 -0.752 50 20 CBGD CSCCCCC(=O)NNC(=O)C(=O)NC1CC1 739685223 ZJDACISDVLMNHV-UHFFFAOYSA-N 273.358 -0.054 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NNC=C(C#N)C#N 747826965 HTQHXNKXQJJREI-SNVBAGLBSA-N 263.301 -0.493 50 20 CBGD NC(=O)c1c[nH]c(C(=O)NNC(=O)c2ccccn2)c1 749322539 DCUFJYABUOBFBK-UHFFFAOYSA-N 273.252 -0.417 50 20 CBGD CC(C)Oc1cncc(C(=O)NNC(=O)CO)c1 753445375 YVIXWNVFJXKGHX-UHFFFAOYSA-N 253.258 -0.378 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CNC2(C(N)=O)CC2)c1 754244807 QNCRZXQGPIYUBS-UHFFFAOYSA-N 290.323 -0.636 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1cnns1 755363770 PIUFKCHHHOOTIB-LURJTMIESA-N 289.317 -0.258 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C1(CC)COC1 755399393 GURHDKAITYVXGJ-UHFFFAOYSA-N 285.344 -0.135 50 20 CBGD CC[C@H](C)[C@@H](C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758041086 WGJZNPCBJDBEPA-YIZRAAEISA-N 293.389 -0.246 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(OC)c1 764303890 RAMRGPYNBZNWBM-UHFFFAOYSA-N 281.268 -0.573 50 20 CBGD CC(=O)NNC(=O)Nc1cnn(CC(=O)N(C)C)c1 765195690 OFWRCRUUCUXGLQ-UHFFFAOYSA-N 268.277 -0.856 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCN2CCOCC2)n[nH]1 768279005 PLSADLAKRULCRB-UHFFFAOYSA-N 281.316 -0.799 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cccc([S@@](C)=O)c1 771741983 SXVBKSFPGBLYPQ-LJQANCHMSA-N 283.353 -0.253 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccc(C(=O)O)c(F)c1 776758471 PZNSBONHVQFMOD-UHFFFAOYSA-N 267.216 -0.151 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1cncc(OC)c1 799122363 GCSAKCJSCYZPDE-UHFFFAOYSA-N 274.302 -0.397 50 20 CBGD COC(=O)N[C@H](C(=O)NNc1cnnn1C)C(C)C 816770509 AFEJXSMIXLQSOY-QMMMGPOBSA-N 270.293 -0.361 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNc1ncncc1F 817082064 LUDOJDBEHKIMRS-ZETCQYMHSA-N 253.237 -0.320 50 20 CBGD C[C@@H](CC(=O)NNC(=O)N1CCN(C)CC1)n1cccn1 819934175 ISLUEOYNHAIDTB-NSHDSACASA-N 294.359 -0.178 50 20 CBGD CCCCC[C@H](O)C(=O)NNC(=O)C(=O)N1CCCC1 822896736 WMMFLZCSHOHWCV-JTQLQIEISA-N 285.344 -0.303 50 20 CBGD CN(NC(=O)C1CCC(N2CCOCC2)CC1)C(N)=O 823630950 GOSMDDVVJOTKJY-UHFFFAOYSA-N 284.360 -0.081 50 20 CBGD CCN(CCO)NC(=O)c1c[nH]c(C(=O)OC)c1 823889280 PJZMCLJQFJSCHF-UHFFFAOYSA-N 255.274 -0.240 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1nnc2ccccc2n1 823928683 QITKMVNSXALSGC-MRVPVSSYSA-N 261.285 -0.018 50 20 CBGD CN(NC(=O)COc1ccc(-c2nn[nH]n2)cc1)C(N)=O 826004283 QQHIXHOPTRHGBN-UHFFFAOYSA-N 291.271 -0.713 50 20 CBGD Cc1nccn1CCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 826063127 XVPZSICSYUKFKH-MWLCHTKSSA-N 295.343 -0.053 50 20 CBGD O=C(COCc1ccccc1)NNC(=O)[C@@]1(O)CCOC1 840358571 XSUZCKLFUDLQLG-CQSZACIVSA-N 294.307 -0.498 50 20 CBGD CCO[C@@H]1CC(=NNC(=O)NCC(=O)OC)[C@H]1OC 841632815 HJOUOLHVJNVQPB-PSASIEDQSA-N 273.289 -0.362 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](C)n1cncn1 843645028 QDJJKIPZGVRWTB-XHNCKOQMSA-N 267.289 -0.589 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)nn1 843663244 XIVZWAUTANCMOU-BDAKNGLRSA-N 264.285 -0.029 50 20 CBGD C=C[C@H](C)ONC(=O)NNC(=O)C(=O)N1CCCC1 845634770 WOTUNKLGLNEQHU-QMMMGPOBSA-N 270.289 -0.555 50 20 CBGD CCn1cc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)nn1 852537294 UXDRSUXPFWKJDX-JTQLQIEISA-N 296.331 -0.303 50 20 CBGD CCNC(=O)N(C)NC(=O)C(C)(C)n1ccc(N)n1 852885787 ZOAZWYHIZJJRAX-UHFFFAOYSA-N 268.321 -0.107 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 854920919 WDVCUQYIMKVGMK-SFYZADRCSA-N 272.374 -0.255 50 20 CBGD CNC(=S)N(C)NC(=O)c1c(C)c(C)nn(C)c1=O 854922691 FJFALMKEHOUCNC-UHFFFAOYSA-N 283.357 -0.522 50 20 CBGD CC[C@@H](C(=O)NNC(=O)c1cc[nH]n1)N1CCCC1=O 855358193 BLSHRXLWDXMSMY-VIFPVBQESA-N 279.300 -0.428 50 20 CBGD COc1cc(C(=O)NNC(=O)C(C)(C)O)sn1 861206488 YMCXBVWXFLZADP-UHFFFAOYSA-N 259.287 -0.316 50 20 CBGD COCCOCC(=O)NNC(=O)CSC1CC1 869903314 BHUSHSNWDNNZLQ-UHFFFAOYSA-N 262.331 -0.308 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CCCCN1C 869907432 LQLGXXCQMKXWGK-SNVBAGLBSA-N 273.333 -0.719 50 20 CBGD COCCOCC(=O)NN=C(C)Cn1cncn1 872399941 LNJCSRQDISYLIU-UHFFFAOYSA-N 255.278 -0.567 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H]1C[C@@H](N)C1(C)C 883442523 NARTWCNOOJSJHU-DJLDLDEBSA-N 256.350 -0.352 50 20 CBGD O=C(CCCn1cncn1)NNC(=O)[C@H]1CCCCO1 908517606 NVCKLTGJCRLYSM-SNVBAGLBSA-N 281.316 -0.225 50 20 CBGD CCN(CCO)NC(=O)CCN1C(=O)C(C)=C(C)C1=O 911438497 GLXYRASGUSGLSI-UHFFFAOYSA-N 283.328 -0.573 50 20 CBGD Cc1cnccc1CC(=O)NNC(=O)CN1CCCC1=O 913732049 GHIQEFGSIJQBRY-UHFFFAOYSA-N 290.323 -0.298 50 20 CBGD C#Cc1ccccc1CC(=O)NNC(=O)CN1CCCC1=O 913732563 ATUUGYPCXXCSMF-UHFFFAOYSA-N 299.330 -0.020 50 20 CBGD CNC(=O)NNC(=O)c1cc(S(C)(=O)=O)ccc1F 1116379192 UVGYKEHRFFKBNJ-UHFFFAOYSA-N 289.288 -0.197 50 20 CBGD Cc1cccc(C(=O)NNC(=O)NCc2nnn(C)n2)n1 1116879425 AALIJEHFTKZDDP-UHFFFAOYSA-N 290.287 -0.942 50 20 CBGD O=C(NNC(=O)c1cc2n(n1)CCO2)NC1CC1 1117706044 RQDFIHINFQIJRM-UHFFFAOYSA-N 251.246 -0.618 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCCN1C(N)=O 1118279871 NRDRSLPUMVIUEK-YIZRAAEISA-N 284.316 -0.898 50 20 CBGD CCn1ccc(CNC(=O)NNC(=O)c2cn[nH]c2)n1 1119151490 ZNLKNELJWIIWDV-UHFFFAOYSA-N 277.288 -0.230 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1253311542 FWFDVOLDJMNEHX-BDAKNGLRSA-N 290.341 -0.862 50 20 CBGD Cc1cc(C)nc(NNC(=O)CC[C@@H]2NC(=O)NC2=O)n1 1317777310 IJDMTNJUHRLQJN-QMMMGPOBSA-N 292.299 -0.475 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)C[C@H]1CCOC1 1318648813 MWDWFHWQDABRKL-SECBINFHSA-N 295.295 -0.417 50 20 CBGD Cc1cccnc1NNC(=O)C(=O)NCC(=O)N(C)C 1320725984 DKBGIAMFGLOMHK-UHFFFAOYSA-N 279.300 -0.962 50 20 CBGD CCc1nn(C)cc1C=NNC(=O)[C@H]1CCC(=O)N1 1330141874 FXBZOKDIKFNUKT-SNVBAGLBSA-N 263.301 -0.289 50 20 CBGD O=C(N[C@H]1CN2CCC1CC2)c1cc(B(O)O)ccc1F 1337410635 SACRFMMLCXGUBS-ZDUSSCGKSA-N 292.119 -0.671 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccnn1C 1338709376 VYNVHKZHANCXSE-UHFFFAOYSA-N 268.277 -0.949 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2C[C@H]3CCC[C@H]3C2)N1 1341973508 HFHLYWSGEPMKMD-KXUCPTDWSA-N 280.328 -0.262 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 1346067662 HCJKJYOTYANILT-IVZWLZJFSA-N 293.327 -0.587 50 20 CBGD O=C(/C=C/c1nccs1)NNC(=O)C(=O)N1CCCC1 1346271036 DPOXWRPBOJMKSQ-ONEGZZNKSA-N 294.336 -0.074 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CC[C@@H]3OCC[C@@H]3C2)N1 1348122883 NHIZEDOOVKKDIR-UTLUCORTSA-N 296.327 -0.883 50 20 CBGD CCC1(Cn2cc(C(=O)NNC(=O)OC)nn2)COC1 1351703670 FKACYIDPTOTSAB-UHFFFAOYSA-N 283.288 -0.295 50 20 CBGD COc1ccnc(NNC(=O)[C@H]2CN3CCN2C[C@@H]3C)n1 1518889058 FSYYTPQPTNLWQC-VHSXEESVSA-N 292.343 -0.683 50 20 CBGD C[C@H]1[C@H](NC(=O)NNC(=O)C2CCNCC2)CCN1C 1576578950 KFEMAJGVJLTDFP-GXSJLCMTSA-N 283.376 -0.591 50 20 CBGD CC[C@H](NC)C(=O)NNC(=O)[C@H]1CCN1C1CCOCC1 1577172118 LAKYIOSBXUNVJF-NWDGAFQWSA-N 298.387 -0.615 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)[C@H]1[C@H]2CCNC[C@H]21 1580627914 FXZRFRGWABSMMP-XVMARJQXSA-N 280.250 -0.265 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccc(C(=O)O)nc1 1589152269 MGQBOZXGCNPYFY-ZETCQYMHSA-N 253.258 -0.263 50 20 CBGD O=C(O)COCC(=O)NN=c1cc[nH]c2cccnc12 1595106940 DBDFJLMUIZRZMY-UHFFFAOYSA-N 276.252 -0.404 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cc(C(=O)O)no1 1598864723 NQMAXQUEJXMBBU-UHFFFAOYSA-N 270.201 -0.821 50 20 CBGD COC(=O)N(C)NS(=O)(=O)CC1(C(=O)O)CC1 1598875461 FGRZJEQGVUSXSG-UHFFFAOYSA-N 266.275 -0.616 50 20 CBGD O=C(Cn1cc(C(=O)O)cn1)NNC(=O)c1ccccn1 1601379565 YBGNAEVXYBGAGD-UHFFFAOYSA-N 289.251 -0.563 50 20 CBGD O=C(NC1CCC(C(=O)O)CC1)c1cccc(B(O)O)c1 1601436984 MYIUMXAGMGTCFE-UHFFFAOYSA-N 291.112 -0.260 50 20 CBGD O=C(NCc1noc2c1CCCC2)NNC(=O)C(=O)O 1601551090 NKLJLQWSYDUNRJ-UHFFFAOYSA-N 282.256 -0.532 50 20 CBGD C=C(C)C[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)O 1602754660 QJHOUYNDIBKXDB-NSHDSACASA-N 277.085 -0.484 50 20 CBGD C[C@]1(CNC(=O)NNC(=O)C(=O)O)C[C@@H]1Br 1604577170 FHRQFLMFVZJZTH-RNHFCUEFSA-N 294.105 -0.425 50 20 CBGD O=C(O)CCC(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1 1606101859 WISFPHOUGXRQAY-JTQLQIEISA-N 299.327 -0.748 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)N[C@H]1C[C@H](C(=O)O)C1 1608369531 RHWWXMXECDFIFQ-MGCOHNPYSA-N 292.295 -0.182 50 20 CBGD O=C(NNC(=O)C(=O)O)Nc1cccnc1N1CCCC1 1610698994 ABUVKEAZKXBISC-UHFFFAOYSA-N 293.283 -0.081 50 20 CBGD N#CCC(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841349735 LCIGCDCFABWTAI-SECBINFHSA-N 285.731 -0.297 50 20 CBGD COC[C@@H](CN1CCOCC1)NC(=O)CCl 1887491291 BSMGKCLZMTWYAX-SECBINFHSA-N 250.726 -0.311 50 20 CBGD Cc1ccnc2nc(C(=O)NNC(=O)NC3CC3)nn12 49150745 ZQVKBYJFPJTZJR-UHFFFAOYSA-N 275.272 -0.461 50 20 CBGD CCN(CCO)CC(=O)NNC(=O)c1cccc(C#N)c1 155755133 LGIXCIBVEJKYKY-UHFFFAOYSA-N 290.323 -0.367 50 20 CBGD CN1CCO[C@H](C(=O)NNc2ccnc(F)c2)C1 182427216 GECCPEKXAJYOJM-VIFPVBQESA-N 254.265 -0.006 50 20 CBGD Cn1cc(CC(=O)NNC(=O)c2cccn2C)cn1 194788498 RTKUTKSEXQTWQB-UHFFFAOYSA-N 261.285 -0.238 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@@H](O)c1cccnc1 271018580 KBNCPQVTTOXIAC-VIFPVBQESA-N 252.274 -0.146 50 20 CBGD COC(=O)C12CCC(C(=O)NNC(=O)CO)(CC1)C2 373882624 QLZHEOVGFDDHDD-UHFFFAOYSA-N 270.285 -0.750 50 20 CBGD C#CCN1CCC(C(=O)NNC(=O)c2cnn(C)c2)CC1 490670067 KCMJHUJEIKJUQD-UHFFFAOYSA-N 289.339 -0.474 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)/C=C\c1cncc(F)c1 491504346 HIGCIIYYSOFKIT-ARJAWSKDSA-N 294.286 -0.094 50 20 CBGD O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1cccc(B(O)O)c1 584928207 BNBHGYASACDFRL-KGLIPLIRSA-N 288.156 -0.277 50 20 CBGD C[C@@H](CC#N)NC(=O)c1cc(B(O)O)ccc1F 584943405 DGWLRMKRCPFOCV-ZETCQYMHSA-N 250.038 -0.463 50 20 CBGD CC(C)(C)[C@H](O)CNC(=O)c1ccc(B(O)O)c(F)c1 584959469 HJELKQMZMDEBDU-LLVKDONJSA-N 283.108 -0.358 50 20 CBGD CCC[C@@H]1C(=O)NCCN1C(=O)c1ccc(B(O)O)cc1 584967655 AGBQLBLBIUBSBF-GFCCVEGCSA-N 290.128 -0.893 50 20 CBGD O=C(N[C@@H]1CCO[C@@H]1C1CC1)c1cc(B(O)O)ccc1F 584968637 ZTPATKYXDCDSJH-CHWSQXEVSA-N 293.103 -0.197 50 20 CBGD CC[C@@H](C)N(C)CCNCc1ccc(B(O)O)o1 585020462 XYONPIKQZAYOOR-SNVBAGLBSA-N 254.139 -0.221 50 20 CBGD C[C@H]1COCC[C@@H]1CNCc1ccc(B(O)O)o1 585040521 MFPUPUAELAQDEC-VHSXEESVSA-N 253.107 -0.278 50 20 CBGD O=C1[C@H](NCc2ccccc2B(O)O)C[C@H]2CCCCN12 585044273 DHLVNVFVMLAEDG-TZMCWYRMSA-N 288.156 -0.391 50 20 CBGD Cc1cnc(CCNCc2ccccc2B(O)O)cn1 585044848 WAOUGJUMTRKICR-UHFFFAOYSA-N 271.129 -0.203 50 20 CBGD C[C@@H]1NC(=O)CC[C@H]1CNCc1ccc(B(O)O)cc1 585045513 BSOPLNGSCHQVPT-JQWIXIFHSA-N 276.145 -0.629 50 20 CBGD Cc1ccc(-c2nn(C)cc2C(=O)NCB(O)O)o1 585062404 IIZJIMCQEGKDNM-UHFFFAOYSA-N 263.062 -0.270 50 20 CBGD O=C([C@H]1COc2ccc(O)cc2O1)N1CC[C@@H](B(O)O)C1 585067759 UUTMRFVJSQNJHJ-PRHODGIISA-N 293.084 -0.393 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)CC2CCCC2)CC1 732280912 JJAAVXSBKABBHK-UHFFFAOYSA-N 253.302 -0.020 50 20 CBGD CNC(=O)NNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 745823495 UODGZKFLEKBRMB-UHFFFAOYSA-N 292.248 -0.144 50 20 CBGD Cc1nc(Cl)cc(NNC(=O)CS(C)(=O)=O)n1 748336890 ZXZZBVSPDZUFKX-UHFFFAOYSA-N 278.721 -0.074 50 20 CBGD O=C(CO)NNC(=O)[C@@H](c1ccccc1)n1cccn1 753443092 RVJCWKWSOSXNCD-GFCCVEGCSA-N 274.280 -0.388 50 20 CBGD C[S@](=O)c1ccc(C(=O)NNC(=O)CO)cc1 753444282 IKVBTFWTFCKMNI-KRWDZBQOSA-N 256.283 -0.823 50 20 CBGD O=C(CO)NNC(=O)CCc1nc(C2CCCC2)no1 753445999 XZHFBRXFEHSJJO-UHFFFAOYSA-N 282.300 -0.201 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@H](COC)C1CC1 754203495 JJPVIVNKOWZUGR-PSASIEDQSA-N 257.334 -0.053 50 20 CBGD O=C(NNC(=O)c1ncc(F)cc1F)C(=O)N1CCCC1 760208857 QYCMPEJYSNHHRO-UHFFFAOYSA-N 298.249 -0.257 50 20 CBGD CCCNC(=O)NNC(=O)C1(O)CCSCC1 764894905 DNSLJWQNKLGTGN-UHFFFAOYSA-N 261.347 -0.015 50 20 CBGD CCNC(=O)NNC(=O)CN(C)[C@@H]1CCSC1 766825654 XQPUHELGWFJTJS-MRVPVSSYSA-N 260.363 -0.226 50 20 CBGD C[C@@H](O)[C@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)C1 780354084 KBMDVGCCXZETBT-ZJUUUORDSA-N 271.361 -0.117 50 20 CBGD COC(=O)C[C@H](C)CC(=O)NNC(=O)C(=O)NC1CC1 809549655 ZQCLMCSWUNFXRC-SSDOTTSWSA-N 285.300 -0.998 50 20 CBGD CCn1ccnc1C(=O)NNC(=O)NCCCOC 813423846 AMSFBNHCCQFRLH-UHFFFAOYSA-N 269.305 -0.117 50 20 CBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)NCc1ccco1 823799430 PUODAXSKZKWCKF-SNVBAGLBSA-N 280.284 -0.269 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccc(S(C)(=O)=O)o1 823960322 ZULFKAWSMYIVMC-ZETCQYMHSA-N 276.314 -0.360 50 20 CBGD COC(=O)Cn1cc(C=NNC(=O)[C@H]2CCO[C@@H]2C)nn1 842548771 BVQICKMXTLHWCK-SCZZXKLOSA-N 295.299 -0.674 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnsn1 843648058 VUMMNXMAGUWDFS-NTSWFWBYSA-N 256.287 -0.276 50 20 CBGD CSSCCNC(=O)C1(S(N)(=O)=O)CC1 846099167 YKFDEDNVJJOQPG-UHFFFAOYSA-N 270.401 -0.065 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNC(=S)NCC1CCC1 855089547 VYZTWAYCOBLFIO-VIFPVBQESA-N 284.385 -0.097 50 20 CBGD CCN(CC)C[C@@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858278935 MBBFMAYISRJAFP-NXEZZACHSA-N 299.375 -0.674 50 20 CBGD CC[C@@]1(C)CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 858699688 WLPGPKMNXXSYTA-ZANVPECISA-N 298.343 -0.493 50 20 CBGD O=C(CC[C@H]1CCCCO1)NNC(=O)[C@H]1CCC(=O)N1 862454665 IPZCIFBLMHQPTH-NXEZZACHSA-N 283.328 -0.238 50 20 CBGD Cc1ncc(/C=C\C(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 862454708 IVQTXNCQILRSAG-MDHMXLOGSA-N 294.336 -0.109 50 20 CBGD CCNc1ncc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 862463535 HBKKHINKQUTTCS-ZCFIWIBFSA-N 297.340 -0.386 50 20 CBGD CCOCCn1cc(C(=O)NNC(=O)c2cn[nH]c2)cn1 862465979 AOJLIJZLRSLOCX-UHFFFAOYSA-N 292.299 -0.283 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1cc2c([nH]1)CCCC2 863465444 DMGMNNAUWAPNAO-UHFFFAOYSA-N 299.352 -0.301 50 20 CBGD COC(=O)[C@H](CC1CC1)NCc1cccc(B(O)O)c1 863890438 UMHRAAQQWPDHSL-ZDUSSCGKSA-N 277.129 -0.202 50 20 CBGD CN(CC(N)=O)S(=O)(=O)CC(C)(C)CCl 866495645 GTOHMUCBBSFCIH-UHFFFAOYSA-N 256.755 -0.002 50 20 CBGD CC[C@](C)(OC)C(=O)NNC(=O)COCCOC 869906486 MMCOZKFNNMIAQK-NSHDSACASA-N 262.306 -0.388 50 20 CBGD COC(=O)[C@@](C)(CO)NS(=O)(=O)CCCCl 882248981 WONABQKOGLMLGJ-MRVPVSSYSA-N 273.738 -0.541 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC[C@H](CF)C2)N1 883738160 RNCWQGYOBHNZEV-HTQZYQBOSA-N 272.280 -0.703 50 20 CBGD CC[S@@](C)(=O)=NC(=O)c1ccc(B(O)O)cc1 925867321 ZZPAIGQLPSTZSZ-QGZVFWFLSA-N 255.104 -0.376 50 20 CBGD O=C(NNc1nccc(N2CCOCC2)n1)c1cnn[nH]1 1116284272 VWTIATNUVWSCIP-UHFFFAOYSA-N 290.287 -0.812 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@@H]1C1CC1)[C@H]1CCS(=O)(=O)C1 1318969911 WDQTUQDMLRTGRW-IVZWLZJFSA-N 286.353 -0.385 50 20 CBGD COC(=O)C(=O)NN[C@H](C(=O)NC1CC1)c1ccccc1 1319043647 CTVIMQKKJVFWMO-NSHDSACASA-N 291.307 -0.200 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)Sc1n[nH]c(COC)n1 1319336379 HXUVMFVGIVRPAC-LURJTMIESA-N 287.345 -0.011 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCNC(=O)C1 1319666655 DOQFHUJUPGZRCX-ZETCQYMHSA-N 265.273 -0.995 50 20 CBGD Cn1nc(C(=O)NNc2cc(Cl)nc(N)n2)ccc1=O 1320030293 BJXZQMVHIWADJI-UHFFFAOYSA-N 295.690 -0.437 50 20 CBGD NC(=O)c1ccc(NNC(=O)Cc2cccnc2)nn1 1322495809 SAFNWFRWJVQVPQ-UHFFFAOYSA-N 272.268 -0.344 50 20 CBGD CC(C)C(=O)NNC(=O)NC[C@H]1CCCS(=O)(=O)C1 1322759758 HRZNDVOJIOSBNY-SECBINFHSA-N 291.373 -0.202 50 20 CBGD CCNC(=O)N(C)NC(=O)CCC[C@]1(C)NC(=O)NC1=O 1324000959 UOOTXGSEYAWPTN-LBPRGKRZSA-N 299.331 -0.553 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@](O)(C2CC2)C1 1324807323 NVVLIEJZYQVZQF-NOZJJQNGSA-N 269.345 -0.221 50 20 CBGD O=C(CC[C@H]1NC(=O)NC1=O)NCC(Cl)Cl 1328384550 QKAJJAOJDYBAKE-SCSAIBSYSA-N 268.100 -0.106 50 20 CBGD O=C(Cc1nc[nH]n1)NNC(=O)CC(F)(F)F 1330581239 HJBYXUYYLZMJLO-UHFFFAOYSA-N 251.168 -0.553 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cn(CC2(C)COC2)nn1 1330880078 QAPIJERBSVDLDK-VIFPVBQESA-N 283.332 -0.728 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1nc(C)cs1 1339818196 LQFZBIVLJOIGGQ-UHFFFAOYSA-N 272.286 -0.545 50 20 CBGD CCO[C@H]1CCN(C(=O)NNC(=O)c2ncccn2)C1 1341827167 VBNVPWLGNRKHDY-VIFPVBQESA-N 279.300 -0.058 50 20 CBGD Cc1cc(=NNC(=O)[C@]2(C)C[C@H](O)CN2)cc[nH]1 1574144039 IPQGJROTELADQY-JQWIXIFHSA-N 250.302 -0.632 50 20 CBGD C[C@H](C(=O)NNC(=O)CN)n1ccc(C(F)(F)F)n1 1575069129 JNOVWTAOQQSJJK-RXMQYKEDSA-N 279.222 -0.431 50 20 CBGD COCCOCC(=O)NNC(=O)c1cc(CN)n(C)c1C 1579056836 SHFVTPDDGDVWKF-UHFFFAOYSA-N 298.343 -0.784 50 20 CBGD O=C(NNC(=O)[C@H]1CCN1)c1cc(F)cc2nn[nH]c12 1580733576 YHPJWJOMQOOPQR-SSDOTTSWSA-N 278.247 -0.780 50 20 CBGD CNC(=O)CC(=O)NNc1cccc(-c2nn[nH]n2)c1 1591205183 VCPULGLXBDBVCA-UHFFFAOYSA-N 275.272 -0.554 50 20 CBGD C[C@@H]1O[C@H](C)[C@@H](NC(=O)NNC(=O)C(=O)O)[C@@H]1C 1594636239 QXJNWWXINBKPSH-UCROKIRRSA-N 259.262 -0.787 50 20 CBGD O=C(O)CCCc1nc(-c2cccc(B(O)O)c2)no1 1595052926 JMNHIBVPABMRGJ-UHFFFAOYSA-N 276.057 -0.176 50 20 CBGD CCN(C(=O)c1cc(B(O)O)ccc1F)C(C)(C)C(=O)O 1605400093 WMJDFQBFGVIJKV-UHFFFAOYSA-N 297.091 -0.169 50 20 CBGD C[C@H](CC(=O)O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1609731879 HJWMOKNPZQFVHY-PRJMDXOYSA-N 258.274 -0.330 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cnc(C)c(C(=O)O)c1 1610140760 IXTXPSCZXCOTCZ-UHFFFAOYSA-N 288.285 -0.789 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCC1CC1 49183997 QTFLJIYMRIRYOF-UHFFFAOYSA-N 280.284 -0.250 50 20 CBGD COc1ccccc1C(=O)NNC(=O)NCCNC(C)=O 67483082 SUJKRNIHLFJRFV-UHFFFAOYSA-N 294.311 -0.225 50 20 CBGD CCOCC(=O)NNC(=O)NCCCn1ccnc1 68385737 BAVGONRBYSWOHW-UHFFFAOYSA-N 269.305 -0.360 50 20 CBGD CCOCCN1CCN(CC(=O)NNC(=O)C2CC2)CC1 112981152 QUGWGSNWPZXRJF-UHFFFAOYSA-N 298.387 -0.802 50 20 CBGD CC[C@H]1COCCN1CC(=O)NNC(=O)C1CC1 115577157 WGATZRYMEAKLMF-JTQLQIEISA-N 255.318 -0.345 50 20 CBGD CC(C)(C)n1cc(NC(=O)NNC(=O)CO)cn1 186246151 PGAHAOMLUKPZFJ-UHFFFAOYSA-N 255.278 -0.217 50 20 CBGD COc1cc(C)nc(NNC(=O)CNC2CC2)n1 237304452 ZUFGBEGADCDXMT-UHFFFAOYSA-N 251.290 -0.011 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2CCNC2)n1 237305752 UFGTUZFEIGRZRZ-QMMMGPOBSA-N 251.290 -0.154 50 20 CBGD COc1ccc(C=NNC(=O)C(N)=O)c(OC)c1 245263965 BTWUNXTWHZEERW-UHFFFAOYSA-N 251.242 -0.361 50 20 CBGD CC1=C(C(=O)NNC(=O)C(=O)NC2CC2)SCCO1 280737392 JJZXYSROPQDBEZ-UHFFFAOYSA-N 285.325 -0.593 50 20 CBGD CC1(C)CC[C@@H]1NC(=O)NNC(=O)C(=O)NC1CC1 287925081 DCMDMYZXUUOOCK-QMMMGPOBSA-N 268.317 -0.216 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@H]2CN3CCCN2CC3)n1 362401832 MUUQKQXPFQSJRN-GFCCVEGCSA-N 290.371 -0.074 50 20 CBGD CC(=NNC(=O)C(N)=O)[C@@H](C)NC(=O)OC(C)(C)C 497271089 XKAMSLOZMLYOGS-ZCFIWIBFSA-N 272.305 -0.123 50 20 CBGD CN(C[C@@H]1CCC[C@H]1O)C(=O)c1ccc(B(O)O)cc1 584967627 YMUVECQPPVVPRX-WCQYABFASA-N 277.129 -0.401 50 20 CBGD O=C(N[C@H]1CCO[C@H]1C1CC1)c1ccc(B(O)O)c(F)c1 584968371 WLWWEIIUBCNESH-STQMWFEESA-N 293.103 -0.197 50 20 CBGD C[C@H](CC(C)(C)O)NC(=O)c1ccc(B(O)O)c(F)c1 584995112 IWMZBUCYELYHDH-MRVPVSSYSA-N 283.108 -0.215 50 20 CBGD OCCN1CCC(CNCc2cccc(B(O)O)c2)CC1 585021784 NVENLWBQWANHAN-UHFFFAOYSA-N 292.188 -0.840 50 20 CBGD C[C@H]1CN(CCNCc2ccc(B(O)O)cc2)CCO1 585022151 JXRQYFDSJCWXFN-LBPRGKRZSA-N 278.161 -0.823 50 20 CBGD OB(O)c1ccccc1CNC[C@]1(O)CCSC1 585026099 IOLASIGBDCKWOO-GFCCVEGCSA-N 267.159 -0.676 50 20 CBGD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCB(O)O 585060711 WYJIQJGMDFJYQF-UHFFFAOYSA-N 296.044 -0.963 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCN(C)[C@H](C)C1 741464764 TXERNGDQSTWDCE-RKDXNWHRSA-N 290.389 -0.490 50 20 CBGD NC(=O)c1ccc(CNC(=O)NNc2ncccn2)o1 753023400 VZSGUHXYPXBYKO-UHFFFAOYSA-N 276.256 -0.005 50 20 CBGD COc1cc(OC)c(C(=O)NNC(=O)CO)cc1OC 753442540 HVYZZUMNSLQAKD-UHFFFAOYSA-N 284.268 -0.534 50 20 CBGD C#Cc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cn1 755279855 ULTDXDDTIURYRG-UHFFFAOYSA-N 269.264 -0.210 50 20 CBGD C[C@@](O)(CC(=O)NNC(=O)C(=O)N1CCCC1)C1CC1 755801770 MIELYBIQFKUHFF-CYBMUJFWSA-N 283.328 -0.693 50 20 CBGD CS(=O)(=O)CCC(=O)NNc1ncccc1[N+](=O)[O-] 759294544 PMBSWKIAVKAKTE-UHFFFAOYSA-N 288.285 -0.132 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1cnc(Cl)n1C 765058453 HEZBYHONTHNPRT-UHFFFAOYSA-N 281.725 -0.414 50 20 CBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)C(C)(C)O)C1 768258971 BTIZPPSMVKJMDZ-RKDXNWHRSA-N 286.328 -0.116 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCOC1 772090253 XPOJEFZTEKXUTI-RKDXNWHRSA-N 272.301 -0.098 50 20 CBGD O=C(NNc1nc2ccccn2n1)N[C@@H]1CC[S@@](=O)C1 790425663 ONYXAGBPVQBRGY-ZPWHCFADSA-N 294.340 -0.124 50 20 CBGD C[S@](=O)c1ccc(CC(=O)NNC(=O)C(C)(C)O)cc1 797998725 KQVNRGKWBLYLGG-FQEVSTJZSA-N 298.364 -0.115 50 20 CBGD CCOC1(C(=O)NNC(=O)c2cn[nH]c2)CCOCC1 804940845 FRUGBQJQYVJXNP-UHFFFAOYSA-N 282.300 -0.244 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccnc(OC)c1 806979805 GNRQDURPYQYDGA-UHFFFAOYSA-N 296.283 -0.787 50 20 CBGD CN(C)c1ncc(C=NNC(=O)c2cnn(C)c2)n1C 811643854 NQXFUUAEXOBEBH-UHFFFAOYSA-N 275.316 -0.017 50 20 CBGD O=C(NN=Cc1ccc(-c2nn[nH]n2)o1)C(=O)NC1CC1 823273132 FNGALHNSULNYFC-UHFFFAOYSA-N 289.255 -0.812 50 20 CBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NN(C)[C@H](C)CO 823929479 ZHHOXVODKRZKDR-BXUZGUMPSA-N 297.355 -0.748 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCCN1C(=O)C(F)(F)F 823934666 IXWVVINQZCPRPE-JGVFFNPUSA-N 297.277 -0.117 50 20 CBGD C[C@H](N)C[C@@H](C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 831202357 DUODLHVOHFXYNY-IQJOONFLSA-N 292.405 -0.507 50 20 CBGD C[C@@H](N)C[C@@H](C)NC(=O)NNC(=O)N=c1cc[nH]cc1 831223870 NSFOFGDEVZJHKF-RKDXNWHRSA-N 280.332 -0.035 50 20 CBGD CCOC(=O)Cc1nnc(NC(=O)NNC(=O)O)s1 833659039 PIKVINLFZFCQBQ-UHFFFAOYSA-N 289.273 -0.052 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCn1ccccc1=O 843641742 CNNUGEJPPSTWLR-QWRGUYRKSA-N 293.323 -0.189 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(O)CCCC1 843974655 CNFMCFSVKQCQPQ-DTWKUNHWSA-N 256.302 -0.136 50 20 CBGD Cc1ncc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(N)n1 844146916 SHXGUJKBQOGRMD-POYBYMJQSA-N 279.300 -0.447 50 20 CBGD C=CCCn1cc(C=NNC(=O)CN(C)C)nn1 853301455 CZLLVUBEBNJOEX-UHFFFAOYSA-N 250.306 -0.134 50 20 CBGD O=C(NN=Cc1cc[nH]n1)[C@@H]1CN2CCC[C@@H]2CO1 853388769 NBAPGHODDGCEHQ-MNOVXSKESA-N 263.301 -0.277 50 20 CBGD CCCN1C[C@@H](C(=O)NNC(=O)c2cc[nH]n2)CC1=O 855354383 CNKYPXVKIAUKDL-QMMMGPOBSA-N 279.300 -0.571 50 20 CBGD CC(C)n1nccc1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 860295540 DIZVWZKKIBPGMN-MRVPVSSYSA-N 294.315 -0.105 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cscn2)N1 862454291 FAEMWTVATHOQKR-YFKPBYRVSA-N 254.271 -0.817 50 20 CBGD C[C@H]1CC(=NNC(=O)[C@@H]2CCC(=O)N2)CCN1C 863148610 GAXWGVDCANRIQS-WPRPVWTQSA-N 252.318 -0.149 50 20 CBGD CCOCCONC(=O)c1ccc(B(O)O)cc1 863879743 ZJRAYDDNNCKOFZ-UHFFFAOYSA-N 253.063 -0.936 50 20 CBGD C[C@H]1CN=C(NC(=O)c2cc(B(O)O)ccc2F)S1 863884528 MVBXBXBQUWCKCE-LURJTMIESA-N 282.105 -0.273 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1cn[nH]c1 863927919 VGDUCLVQNWGJPC-SCZZXKLOSA-N 266.301 -0.085 50 20 CBGD CN1C(=O)CS/C1=C\C(=O)NNC(=O)NC1CC1 874194048 NZANBUXDNNKBPN-WTKPLQERSA-N 270.314 -0.474 50 20 CBGD Cc1nnc(NNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)nc1O 886642543 RSLLWWULSWBINP-SSDOTTSWSA-N 292.299 -0.660 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=S)NC(C)(C)C 899999796 XDYRITITMPXQNZ-SSDOTTSWSA-N 263.363 -0.058 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CCCC(=O)N1C 909993391 MUXHKYDBZRDQIE-SSDOTTSWSA-N 258.347 -0.535 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1cc(C)on1 1320258877 HRMGVKCXIZILEO-UHFFFAOYSA-N 256.218 -0.301 50 20 CBGD NC(=O)c1cc(C(=O)NNC(=O)NCC(F)(F)F)c[nH]1 1321175241 WCIUHANPSIKUOT-UHFFFAOYSA-N 293.205 -0.380 50 20 CBGD Cn1ccnc(NNC(=O)CCCNC(=O)C2CC2)c1=O 1322296747 OWMULHSXUCBPAI-UHFFFAOYSA-N 293.327 -0.470 50 20 CBGD C=CCNC(=S)NNC(=O)c1ccn(C)c(=O)c1 1322556369 ZWCDXILNFBSYPJ-UHFFFAOYSA-N 266.326 -0.320 50 20 CBGD C[C@H](NC(=O)NNC(=O)C(=O)NC1CC1)c1ccc[nH]1 1324521709 XDMPJOKDALUILH-ZETCQYMHSA-N 279.300 -0.315 50 20 CBGD CN(C)Cc1cc(C(=O)NNC(=O)c2cn[nH]c2)no1 1329079526 ZNJWVUDGJFNTCU-UHFFFAOYSA-N 278.272 -0.466 50 20 CBGD O=C(c1sccc1-n1cnnn1)N1CC[C@@H](B(O)O)C1 1329214268 DKWUBEBBWFLHAC-SSDOTTSWSA-N 293.117 -0.587 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cn1cc(C2CC2)nn1 1329540033 QSASENCHZCXXKR-SCZZXKLOSA-N 293.327 -0.272 50 20 CBGD Cc1nnc(CC(=O)NNC(=O)c2cnn(C)c2)s1 1330448746 CCTNHCFVCZOUIH-UHFFFAOYSA-N 280.313 -0.416 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CC12CCOCC2 1332145721 SGMXGWVUNRJWKP-SNVBAGLBSA-N 286.328 -0.387 50 20 CBGD C[C@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)CCO1 1348123620 ZEHSWKYUXBTURS-ZETCQYMHSA-N 253.262 -0.515 50 20 CBGD CCC(=O)N1CCC[C@H](C(=O)N2CC[C@H](B(O)O)C2)C1 1348489756 BNSORAPWXZWCDB-QWRGUYRKSA-N 282.149 -0.290 50 20 CBGD CCN(CCO)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 1352229554 LBLBWNOLXMSZLE-SECBINFHSA-N 296.414 -0.748 50 20 CBGD NCCCCCC(=O)NNC(=O)CN1CCCCC1=O 1580292585 DTFOQLRVROKUJY-UHFFFAOYSA-N 284.360 -0.335 50 20 CBGD C[C@@H]1[C@H](Cl)[C@H]1CNCCn1cnc(-c2nn[nH]n2)n1 1590169623 QEJHYLHLSJCSGV-FXQIFTODSA-N 282.739 -0.079 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNC(=O)c1ccccc1F 1593911605 OPLXKZOHUKBRJB-QMMMGPOBSA-N 270.216 -0.314 50 20 CBGD O=C(O)CSCC(=O)NNc1ncncc1F 1595126918 PFMKMFKTZCRVDF-UHFFFAOYSA-N 260.250 -0.123 50 20 CBGD O=C(Cn1ccc(C(=O)O)n1)NNc1ncc(F)cn1 1601384272 FUWVULWYXOQTRZ-UHFFFAOYSA-N 280.219 -0.346 50 20 CBGD O=C(O)CSCCC(=O)NNC(=O)c1ncon1 1602098704 UKAKJOOZGRKOOY-UHFFFAOYSA-N 274.258 -0.962 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C(=O)O)C1CCCC1 1603068138 GQXAEACUIJERQG-VIFPVBQESA-N 299.327 -0.451 50 20 CBGD Cn1ccc(NNC(=O)[C@@H]2CCCN(CC(=O)O)C2=O)n1 1605505877 TVQHBSIOTLPOFZ-QMMMGPOBSA-N 295.299 -0.814 50 20 CBGD Cn1nc(C(=O)O)cc1C=NNC(=O)c1cnsn1 1776105340 ZJXKBFSORBUCKA-UHFFFAOYSA-N 280.269 -0.266 50 20 CBGD COCCOCCC(=O)NNC(=O)NCC1CC1 49166231 VVWTYJSPDOUHEH-UHFFFAOYSA-N 259.306 -0.220 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCNC(=O)C1 111192847 PTICSWSDDPTXGU-VIFPVBQESA-N 270.333 -1.000 50 20 CBGD CCC(=O)N1CCCN(CC(=O)NNC(=O)C2CC2)CC1 112977427 MKIZPUBSVAATPS-UHFFFAOYSA-N 296.371 -0.512 50 20 CBGD Cc1nn(CC(=O)NNC(=O)CN(C)C)c(C)c1Cl 113427305 AHCJTNIVFREQEF-UHFFFAOYSA-N 287.751 -0.138 50 20 CBGD O=C(NNc1nc(-c2ccccc2)no1)[C@H]1C[C@@H](O)CN1 238008683 LUXKKFDRKNCLHQ-NXEZZACHSA-N 289.295 -0.098 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)NCc2ccco2)C1 266821416 IBZUFYCSODRFJR-SNVBAGLBSA-N 282.300 -0.559 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cccn2C)CC1 282825015 CUYHQQTYMRVZMK-UHFFFAOYSA-N 265.317 -0.373 50 20 CBGD NC(=O)[C@H]1CC[C@@H](CNC(=O)NNc2ncccc2F)O1 287287208 YTHBAICLKSPAIN-IONNQARKSA-N 297.290 -0.120 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)CN2CCSC2=O)O1 294406701 XYTNPTPMYTZVSX-YUMQZZPRSA-N 287.341 -0.130 50 20 CBGD CCOC(=O)NCCC(=O)NNC(=O)c1ccncc1 298422973 IMWDUIPAENKSIE-UHFFFAOYSA-N 280.284 -0.021 50 20 CBGD COC(=O)N(C)NC(=O)CCc1nc(N(C)C)no1 495760562 HSZSHMBSYRWMDC-UHFFFAOYSA-N 271.277 -0.202 50 20 CBGD CN1CCCN(C(=O)c2ccc(B(O)O)cc2)CC1 584923592 AFESDOXGYAVQIC-UHFFFAOYSA-N 262.118 -0.856 50 20 CBGD O=C(NC1CC(CO)C1)c1ccc(B(O)O)c(F)c1 585009438 VMBUFGCDLMVUPE-UHFFFAOYSA-N 267.065 -0.994 50 20 CBGD OB(O)c1ccc(CNC2CCC(O)CC2)c(F)c1 585013974 DYZSDRRJPLZGET-UHFFFAOYSA-N 267.109 -0.101 50 20 CBGD O=C1C[C@H](NCc2ccc(B(O)O)cc2F)CN1C1CC1 585034727 SNGJKUHZLAMRMI-NSHDSACASA-N 292.119 -0.642 50 20 CBGD CCn1ncnc1CNCc1ccc(B(O)O)cc1 585039353 QPABLVSXBXTBHI-UHFFFAOYSA-N 260.106 -0.732 50 20 CBGD CC(C)(C)c1n[nH]c(CNCc2ccc(B(O)O)o2)n1 585046971 YEDZQFSIGMRCGD-UHFFFAOYSA-N 278.121 -0.335 50 20 CBGD C[C@@H]1CC[C@@H](NCc2ccc(B(O)O)o2)CS1(=O)=O 585048049 ZOGZRORDLCYVJE-RKDXNWHRSA-N 287.146 -0.985 50 20 CBGD COCCOCCc1nc(-c2cccc(B(O)O)c2)no1 585051912 ORQUBRLFQRGAFL-UHFFFAOYSA-N 292.100 -0.378 50 20 CBGD Cc1cccc(C(=O)N[C@H](C(=O)NCB(O)O)C(C)C)c1 585054909 UCCUZQNFQAHADT-LBPRGKRZSA-N 292.144 -0.122 50 20 CBGD C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@H](B(O)O)C1 585077694 TXYQYIPRNGWLTE-DCAQKATOSA-N 271.122 -0.354 50 20 CBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)NCC1CC1 727373732 NYQZZLYLXWGDOR-JGVFFNPUSA-N 255.274 -0.464 50 20 CBGD O=C(NNC(=O)c1cnn[nH]1)c1cccc(-c2nn[nH]n2)c1 738136455 LPIGLORPQJCACI-UHFFFAOYSA-N 299.254 -0.940 50 20 CBGD CC1(C(=O)NNC(=O)C(=O)N2CCCC2)CCC1 749940416 YHXAHBZKWWTYAT-UHFFFAOYSA-N 253.302 -0.054 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)[C@H]1CCNC1=O 759423426 JSTSJXMXEJZKOH-UWVGGRQHSA-N 284.360 -0.611 50 20 CBGD CO[C@H](C(=O)NNC(=O)C(=O)NC1CC1)C(C)C 771106463 MHJMETROWZGOJW-QMMMGPOBSA-N 257.290 -0.917 50 20 CBGD C[S@@](=O)c1cccc(C(=O)NNC(=O)CO)c1 771738792 NRILEJOFZGSXMD-QGZVFWFLSA-N 256.283 -0.823 50 20 CBGD CSCCNC(=S)NNC(=O)C1(O)CCC1 773585159 YAXAOLQALTXSND-UHFFFAOYSA-N 263.388 -0.240 50 20 CBGD CC(=O)NNS(=O)(=O)c1cc(C(=O)O)ccc1O 775249206 HUVBNWQKIXDDLE-UHFFFAOYSA-N 274.254 -0.580 50 20 CBGD CCC1(C(=O)NNC(=O)C(=O)N2CCCC2)CCOCC1 778673790 DMDDNEHNUMLRHF-UHFFFAOYSA-N 297.355 -0.037 50 20 CBGD COC(=O)c1cnc(C(=O)NNC(=O)c2ccc[nH]2)cn1 779645589 MAXCPIVFJJFSNT-UHFFFAOYSA-N 289.251 -0.334 50 20 CBGD CC(=NNC(=O)N1CCN(C)CC1)c1ccc(O)nn1 790175592 HMIVSMXNMIXEGJ-UHFFFAOYSA-N 278.316 -0.137 50 20 CBGD CC(C)[C@H](C(=O)NNC(=O)CO)c1cccnc1 798114248 ZTIXMSNRZCAEOP-NSHDSACASA-N 251.286 -0.039 50 20 CBGD O=C(CO)NNC(=O)CCOCC(F)(F)C(F)F 807195682 KYAPNNGUOFMOMK-UHFFFAOYSA-N 276.186 -0.567 50 20 CBGD O=C1NC(=O)C(=NNC(=O)c2ccc(Cl)cc2)C(=O)N1 814212029 BEWGPSIBQMHJQA-UHFFFAOYSA-N 294.654 -0.208 50 20 CBGD O=C(NNc1cccc(-c2nn[nH]n2)c1)C(=O)NC1CC1 826447478 HCBNFXAUHBXSGV-UHFFFAOYSA-N 287.283 -0.412 50 20 CBGD O=C(O)NNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 833281050 VDOUUCURVSLPLL-UHFFFAOYSA-N 283.265 -0.011 50 20 CBGD CN1CCN(CC(=O)NNc2ncc(F)cc2F)CC1=O 837208895 SODXDPZBFYLCOS-UHFFFAOYSA-N 299.281 -0.423 50 20 CBGD C[C@@H]1NCCN(CC(=O)NNC(=O)C2CC2)[C@H]1C 843377875 WFQYOTPGRXLIMA-IUCAKERBSA-N 254.334 -0.774 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(N)=O)cc1 843648332 PZZJQLRMNNQNEZ-KCJUWKMLSA-N 291.307 -0.029 50 20 CBGD COC(=O)CCCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843653850 DPMKPOPVTKUERN-BDAKNGLRSA-N 272.301 -0.098 50 20 CBGD COC(=O)C1(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1 843660915 YKDFRTYAGUOYRD-JGVFFNPUSA-N 270.285 -0.488 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@@H]1NC(=O)O[C@H]1C)C1CC1 855099548 IHTIJMHHRJVHDB-VMHSAVOQSA-N 286.357 -0.223 50 20 CBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)CNc1ccccc1 856772914 KHHSWDKNSKVBCI-MNOVXSKESA-N 290.323 -0.243 50 20 CBGD CO[C@@](C)(CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CC1 858477458 IPNVXUZRGMRKAY-RNCFNFMXSA-N 298.343 -0.590 50 20 CBGD CCC[C@@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)OC 858500881 UDSNCDNECXQICS-DTWKUNHWSA-N 286.332 -0.590 50 20 CBGD C=CC(=O)N(C)CC(=O)NNC(=O)[C@@H]1CCCCO1 861852741 KEUYPOSSUGUNLQ-VIFPVBQESA-N 269.301 -0.653 50 20 CBGD CC(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cs1 862460222 DERPMFSOAJFZJL-QMMMGPOBSA-N 295.320 -0.010 50 20 CBGD CCCC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cn[nH]c1 862475102 YZWGXIDOTPIXRG-JTQLQIEISA-N 293.327 -0.038 50 20 CBGD O=C(COc1ccc(B(O)O)cc1)[C@H]1CCCOC1 863866087 QEKZVBDLBQALPF-JTQLQIEISA-N 264.086 -0.259 50 20 CBGD O=C(NOC[C@@H]1CCOC1)c1cccc(B(O)O)c1 863879847 DRYDAMAHPQXRDH-SECBINFHSA-N 265.074 -0.936 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H]1C[C@@H](N)C1(C)C 883442525 NARTWCNOOJSJHU-YIZRAAEISA-N 256.350 -0.352 50 20 CBGD CCOC(=O)NCCCC(=O)NN(C)C[C@H](C)O 910159715 BNURBNTVNSTLQC-VIFPVBQESA-N 261.322 -0.144 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCCCC1 920297546 BVEKLIVQBAYSGZ-MRVPVSSYSA-N 291.373 -0.348 50 20 CBGD CCNC(=O)NNC(=O)[C@H](C)OC[C@@H]1CCCO1 921030992 XIKXMCGKIXKSAU-IUCAKERBSA-N 259.306 -0.079 50 20 CBGD CCCNC(=O)NNC(=O)c1ccccc1OCC(N)=O 921040905 NRJSUAMJQDKKOQ-UHFFFAOYSA-N 294.311 -0.095 50 20 CBGD Cc1nnc(NNC(=O)[C@@]2(C)CCOC2)nc1O 1116570029 GWYXWKWYLPMGIU-JTQLQIEISA-N 253.262 -0.245 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H]1CCS(=O)(=O)C1 1117499440 AFBUKQMBADZLNU-ZCFIWIBFSA-N 250.276 -0.850 50 20 CBGD C=C[C@@](C)(O)CC(=O)NNc1nc(O)c2cnn(C)c2n1 1117675931 VZCXZOWFYDMLFH-GFCCVEGCSA-N 292.299 -0.161 50 20 CBGD Cn1ccnc(NNC(=O)[C@@H]2CCC(=O)C2)c1=O 1118218738 NAEHKMUPKISUPP-SSDOTTSWSA-N 250.258 -0.407 50 20 CBGD CC(=O)N1CC[C@@H](NC(=O)NNc2ncccn2)C1 1118808333 XFJZUXJIKQBFPD-SECBINFHSA-N 264.289 -0.277 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCc1nc[nH]n1 1255117631 DSMSNVJXLGMRHZ-SSDOTTSWSA-N 283.288 -0.774 50 20 CBGD Cc1nnccc1C(=O)NNC(=O)C(=O)N1CCCC1 1319550691 BOYWFQOYCZYVHF-UHFFFAOYSA-N 277.284 -0.832 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CSCCS1 1319563843 IZRUQWJGQALMPJ-ZCFIWIBFSA-N 293.370 -0.662 50 20 CBGD C[C@@H](C(=O)NNC(=O)Cc1ccncc1)n1cncn1 1319912789 NFCBPFWQWKZDKT-VIFPVBQESA-N 274.284 -0.376 50 20 CBGD CS(=O)(=O)C1(C(=O)NNC(=O)Cc2cccnc2)CC1 1326785968 AZLCCRHVTBJPFM-UHFFFAOYSA-N 297.336 -0.651 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccn2nnnc2c1 1330233857 KQQAJGZNZBNNEP-UHFFFAOYSA-N 293.287 -0.895 50 20 CBGD Cc1nc(C(=O)NNC(=O)CS(C)(=O)=O)ccc1C#N 1331736444 NARHNRNSLFJCFR-UHFFFAOYSA-N 296.308 -0.933 50 20 CBGD C[C@H](O)CN(C)NC(=O)C1CCN(C(=O)N(C)C)CC1 1332147010 CCDIJSDLTLGOHA-JTQLQIEISA-N 286.376 -0.276 50 20 CBGD O=C(NNC(=S)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1337046252 BCMKRAFIOBUTLL-ZCFIWIBFSA-N 277.371 -0.921 50 20 CBGD O=C(NNC(=O)C1CC1)C(=O)Nc1ccnn1CC1CC1 1337961376 PWZOVMJULYYLLC-UHFFFAOYSA-N 291.311 -0.211 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CCC(F)(F)C1 1339732069 AZEJIYPCUWZSCY-ZCFIWIBFSA-N 279.243 -0.075 50 20 CBGD Cn1nccc1COCC(=O)NNc1nccn(C)c1=O 1342426355 JVHXCDCVOGWABI-UHFFFAOYSA-N 292.299 -0.826 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2cccc(O)c2)N1 1352360712 MYJGZFMZXLAVDN-SNVBAGLBSA-N 292.295 -0.499 50 20 CBGD CCOC(C)(C)C(=O)NN(C)C(=O)N1CCNCC1 1578070329 WTGMTLRQUBLLSE-UHFFFAOYSA-N 272.349 -0.210 50 20 CBGD CNCC(=O)NNC(=O)[C@@H]1CCN1C(=O)OC(C)(C)C 1578616432 NIZUYQPCKHMYGQ-QMMMGPOBSA-N 286.332 -0.637 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CCN2)c1 1580074923 PPTAWGZKAXTXPK-NSHDSACASA-N 273.296 -0.136 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@@H]1NCc2n[nH]cc21 1580495643 OMCWMUWRZKFMFG-SSDOTTSWSA-N 277.206 -0.346 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@@H]1CC(C(=O)O)=NO1 1588660991 LUGWNMLSYAKLPP-LURJTMIESA-N 288.329 -0.490 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H](C(=O)O)C1CC1 1589417104 SVTAWRCXLWELDR-ZQARSLAVSA-N 270.285 -0.330 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC(F)(F)C[C@H]1C(=O)O 1590940168 RUNJIWIVGTYVKK-ZETCQYMHSA-N 293.270 -0.416 50 20 CBGD Cn1nc(C(=O)O)cc1C(=O)NNC(=O)C(C)(C)C 1594568023 GIQLVPDXPJCEPR-UHFFFAOYSA-N 268.273 -0.075 50 20 CBGD COc1ccc(CCNC(=S)NNC(=O)C(=O)O)cc1 1599554842 MXCADDYNFVRFPI-UHFFFAOYSA-N 297.336 -0.182 50 20 CBGD O=C(O)[C@@H]1CC[C@H](C(=O)NN=c2cc[nH]cc2F)O1 1602177164 SNAGDJNERJGISN-BDAKNGLRSA-N 269.232 -0.282 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C(=O)O)C1CC1 1603545058 XOVVUUVMXJDICO-VIFPVBQESA-N 299.327 -0.451 50 20 CBGD CC[C@H](CNC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)C(=O)O 1603562955 YGUISKOPZZJLTF-DOLQZWNJSA-N 299.327 -0.005 50 20 CBGD COC(=O)C(=O)NN[C@H](C(=O)O)c1ccsc1 1606317673 YPAJKIXYXMRWSX-LURJTMIESA-N 258.255 -0.332 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1Cc2cc(F)ccc2O1 175945356 PBBOFMQBUVEFPZ-LLVKDONJSA-N 281.287 -0.162 50 20 CBGD C=CCCOCCNC(=O)NNC(=O)C(=O)N1CCCC1 270175621 AVMWQSJOEAGHSP-UHFFFAOYSA-N 298.343 -0.468 50 20 CBGD Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NN 270200066 FWKINQULVTXCKZ-JTQLQIEISA-N 264.264 -0.106 50 20 CBGD COC(=O)c1csc(S(=O)(=O)NNC(C)=O)c1 274762897 RFWBXMONXKVOCW-UHFFFAOYSA-N 278.311 -0.136 50 20 CBGD C#Cc1ccccc1CC(=O)NNC(=O)CN(C)C 289815761 AKXQXQYXCFYJLS-UHFFFAOYSA-N 259.309 -0.081 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)CCCO1 584938844 DJBGGMYNZWLLKJ-SECBINFHSA-N 281.092 -0.244 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@@H]1CCCO 584967989 QCJOGTYHWLGUMR-LLVKDONJSA-N 295.119 -0.117 50 20 CBGD O=C(N[C@H](CO)CC1CC1)c1ccc(B(O)O)cc1 584970366 XQDLHTPRVTVMKM-LBPRGKRZSA-N 263.102 -0.743 50 20 CBGD COCCN(C(=O)c1cc(B(O)O)ccc1F)C1CC1 584977316 LVJIYXNPVPWTDY-UHFFFAOYSA-N 281.092 -0.244 50 20 CBGD C[C@@H](NC(=O)c1cccc(B(O)O)c1)C1(CO)CC1 585006268 KIOSNTNFMZODKN-SECBINFHSA-N 263.102 -0.743 50 20 CBGD O=C1CCCCN1CCCNCc1cccc(B(O)O)c1 585022639 UPCNBHLNNRXYDD-UHFFFAOYSA-N 290.172 -0.141 50 20 CBGD CC[C@H](C)[C@@H](O)CNCc1ccccc1B(O)O 585023290 FYFDKTCLZFPRMW-GWCFXTLKSA-N 251.135 -0.137 50 20 CBGD O=C1CC[C@@H](CCNCc2ccccc2B(O)O)N1 585040925 SHPHVZDLBJXOLR-NSHDSACASA-N 262.118 -0.875 50 20 CBGD CN(C)C1(CNCc2ccc(B(O)O)cc2F)CC1 585048458 PTYKGGGUNPVTJJ-UHFFFAOYSA-N 266.125 -0.311 50 20 CBGD CCO[C@@H](CC)C(=O)NNC(=O)Cc1cc[nH]n1 730090517 FIQFLCQXGIRIJF-VIFPVBQESA-N 254.290 -0.085 50 20 CBGD CN1CCCC[C@@H]1C(=O)NNC(=O)N1CCOCC1 737819863 VLXRRSJEMDWEBU-SNVBAGLBSA-N 270.333 -0.456 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2C[C@H]2C(=O)O)n1 738369701 PUVBZGKZHYXSSO-DTWKUNHWSA-N 280.284 -0.632 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CCCNC(=O)O 739043649 SPSSFKLXTHMSAG-UHFFFAOYSA-N 268.273 -0.166 50 20 CBGD O=C(NNC(=O)c1ccc(O)nc1)C(=O)N1CCCC1 748246648 NFSYQCWYBBDJEE-UHFFFAOYSA-N 278.268 -0.829 50 20 CBGD C[C@H](O)C[C@@H]1CCCN1CC(=O)NNC(=O)C1CC1 752142191 LCEZHACOZIGKPM-ONGXEEELSA-N 269.345 -0.221 50 20 CBGD CCc1ccnc(C(=O)NNC(=O)C(=O)NC(C)C)c1 774812269 YTTPVNAHGRSOGZ-UHFFFAOYSA-N 278.312 -0.070 50 20 CBGD O=C1CC(C(=O)NNC(=O)COc2ccc(F)cc2)=NN1 785691162 PPDLRNNPKHIZRR-UHFFFAOYSA-N 294.242 -0.772 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1c[nH]nc1[N+](=O)[O-] 788267575 WPXYZADNEUOULO-UHFFFAOYSA-N 278.228 -0.269 50 20 CBGD COc1cncc(C(=O)NNC(=O)NCC2CC2)n1 790512473 AZNZWNJLLPYFSF-UHFFFAOYSA-N 265.273 -0.161 50 20 CBGD O=C(CN1CCCNC1=O)NNc1nc2ccccn2n1 791243937 TXTRXACGUOCRRX-UHFFFAOYSA-N 289.299 -0.412 50 20 CBGD CN(C)c1cccc(C(=O)NNC(=O)c2cnnn2C)c1 798351608 ZWTYUQJTDZTESA-UHFFFAOYSA-N 288.311 -0.044 50 20 CBGD CO[C@H](C(=O)NNC(=O)C1CC1)c1cnn(C)c1 798825769 QLNJSDPTJFOLMZ-VIFPVBQESA-N 252.274 -0.335 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCCC12OCCO2 806772954 XZHVPOUORFJUEZ-VIFPVBQESA-N 271.317 -0.761 50 20 CBGD CCCNC(=O)NNC(=O)c1cc2n(n1)CCO2 810586977 KJKBEGVXQPQKRR-UHFFFAOYSA-N 253.262 -0.371 50 20 CBGD O=C(CO)NNC(=O)c1cnnc(-c2ccccc2)c1 810919291 YGWOBHHLTFVODI-UHFFFAOYSA-N 272.264 -0.103 50 20 CBGD COC(=O)CNC(=O)NN=C(C)c1c[nH]nc1C 814900621 AWHBFIZDWJKDJQ-UHFFFAOYSA-N 253.262 -0.086 50 20 CBGD CN1CCC[C@@]2(CCN(CC(=O)NNC(=O)C3CC3)C2)C1 815147166 YFFDIFZEYIAZFO-OAHLLOKOSA-N 294.399 -0.039 50 20 CBGD COCCN(C)S(=O)(=O)NNC(=O)C(C)C 821126967 BVYXIQYGTBIFLL-UHFFFAOYSA-N 253.324 -0.914 50 20 CBGD CCc1noc(COCC(=O)NN(C)C(=S)NC)n1 822547378 KSOFARRLZWUBCW-UHFFFAOYSA-N 287.345 -0.384 50 20 CBGD CCN(CCO)NC(=O)[C@@H](NC(=O)COC)C(C)C 823860438 SHEGGFUZJDEOPW-NSHDSACASA-N 275.349 -0.881 50 20 CBGD C[C@@]1(NNC(=O)NCCOCCF)CCS(=O)(=O)C1 824331661 ZDMYLHZAMIPKMV-SNVBAGLBSA-N 297.352 -0.647 50 20 CBGD O=C(C[C@H]1CC(=O)NC1=O)NNC(=S)NCC1CCC1 824437220 NPURTVVGJNAINC-MRVPVSSYSA-N 298.368 -0.665 50 20 CBGD CC(C)C(=O)NNC(=O)CNC(=O)N1CCCC1 828032739 MFNWGTOYHLVWAX-UHFFFAOYSA-N 256.306 -0.405 50 20 CBGD CC(C)C(=O)NNC(=O)CN(C)C[C@H]1CCC[C@H]1O 828491710 ACPQSCKSXKYRIC-GHMZBOCLSA-N 271.361 -0.117 50 20 CBGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1 843663008 UVRLMJWOLMCPGZ-VWYCJHECSA-N 297.355 -0.183 50 20 CBGD COCn1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)n1 854683993 XZONRBZMZOWVNH-JTQLQIEISA-N 282.300 -0.183 50 20 CBGD CNC(=S)N(C)NC(=O)[C@](C)(O)Cn1ccccc1=O 854920943 WQLKNEFWBHJLBR-GFCCVEGCSA-N 298.368 -0.933 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CCCCS1(=O)=O 854922458 LNDHAUQHDNYEQQ-ZETCQYMHSA-N 279.387 -0.579 50 20 CBGD O=C(NNc1ncc(Cl)cn1)[C@@H]1COCCO1 857356197 WMGBEMWUAKVPEO-ZETCQYMHSA-N 258.665 -0.012 50 20 CBGD Cc1cncc(CCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862460444 DVTYPRYDWOXCGK-NSHDSACASA-N 290.323 -0.251 50 20 CBGD C[C@H]1COCC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1 884421495 VWQUYPNBZHWRNA-YUMQZZPRSA-N 275.330 -0.505 50 20 CBGD CCC[C@H](OCC)C(=O)NNC(=O)CN1CCCC1=O 913734664 WXYBQWKARKIGLL-JTQLQIEISA-N 285.344 -0.039 50 20 CBGD CC(C)C(=O)NNC(=O)CCC(=O)N1CCOCC1 915777558 VCPCSCAEGXZIEM-UHFFFAOYSA-N 271.317 -0.571 50 20 CBGD CN(C)C(=O)CSCC(=O)NNC(=O)C1CC1 916828316 UVHVRVXQZYOJTB-UHFFFAOYSA-N 259.331 -0.635 50 20 CBGD Cn1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)n1 1115966805 GHPNHOOYDAQEGZ-UHFFFAOYSA-N 291.267 -0.796 50 20 CBGD CC(C)C(=O)NNC(=O)C1CCC2(CC1)NC(=O)NC2=O 1116018869 MPYAUCYMKABRPA-UHFFFAOYSA-N 296.327 -0.442 50 20 CBGD O=C(NNC(=O)c1cccc(F)n1)c1ccc(O)nn1 1118789283 NACDGFNAOTYJLM-UHFFFAOYSA-N 277.215 -0.209 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CCC(=O)C1 1118980528 KVJVDFVXVNKEFE-QMMMGPOBSA-N 258.274 -0.834 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)N1CCN(C)CC1 1318430860 DKUHIHCCBZDMHC-JTQLQIEISA-N 294.359 -0.885 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1cc(C)c(=O)n(C)c1 1321183335 CMWRZFYIQRBUFC-UHFFFAOYSA-N 296.283 -0.590 50 20 CBGD O=C(CO[C@H]1CCOC1)NNC(=O)c1ccccc1O 1323511646 ONYWFEWPVYSURL-VIFPVBQESA-N 280.280 -0.041 50 20 CBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)C2CCNCC2)CO1 1326063118 XTKLZTWOHDYDOA-WCBMZHEXSA-N 270.333 -0.506 50 20 CBGD Cc1nc(C(=O)NNC(=O)CS(C)(=O)=O)c(C)o1 1329209509 ZFXCKBZLNWGDOF-UHFFFAOYSA-N 275.286 -0.903 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@@H](CO)CCF 1329760174 UUYUHXUTPATHBG-SSDOTTSWSA-N 259.241 -0.926 50 20 CBGD O=C(CCc1ccon1)NNC(=O)C(=O)N1CCCC1 1330236835 KLGWOUBDRSGRLX-UHFFFAOYSA-N 280.284 -0.623 50 20 CBGD CC(=O)N[C@@H](CC(=O)NNc1cccc(C)n1)C(N)=O 1331690204 HWQTZFALERBOQH-VIFPVBQESA-N 279.300 -0.787 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CN(C)C)c(O)n1 1339032194 GQEHAOMYZYHWMC-UHFFFAOYSA-N 252.274 -0.582 50 20 CBGD COc1nccnc1NNC(=O)[C@@]1(C)CNCCO1 1579328733 BMTHSQMRUOPSEV-LLVKDONJSA-N 267.289 -0.693 50 20 CBGD Cn1cccc1C(=O)NNC(=O)C[C@H](N)C(F)F 1579973737 CLPRUHWSANTPFC-LURJTMIESA-N 260.244 -0.231 50 20 CBGD NC1CCN(CC(=O)NNc2ncc(F)cn2)CC1 1580189446 CQKFKIKDTYNRTI-UHFFFAOYSA-N 268.296 -0.518 50 20 CBGD NCCCC(=O)NNC(=O)C12CCCN1CCC2 1580289313 QPTQDUSBCKKKNN-UHFFFAOYSA-N 254.334 -0.499 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1cc(O)ncn1 1593163026 GDSGVCNZCRTXLK-UHFFFAOYSA-N 299.254 -0.486 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccc(C(=O)O)n1C 1593457660 YBFFSZBQXSJRMM-SSDOTTSWSA-N 255.274 -0.319 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnc(C(=O)O)c1 1594645219 QJZOGXUOGALNRT-IONNQARKSA-N 293.279 -0.034 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H]1CC[C@@H](C(=O)O)C1 1594779795 FMWNXSWPMDBRRF-SVRRBLITSA-N 281.272 -0.393 50 20 CBGD O=C(O)[C@@H]1CCC[C@@H]1NCc1ccc(B(O)O)cc1 1595171641 LQGKKLVIXRTSGZ-NEPJUHHUSA-N 263.102 -0.291 50 20 CBGD Cn1cc(C(=O)NNC(=O)NC2CC(CC(=O)O)C2)cn1 1608098484 IKYZLSYVIRIHCM-UHFFFAOYSA-N 295.299 -0.383 50 20 CBGD Cn1nc(C(=O)O)cc1C=NNC(=O)[C@H]1CCOC1 1776058247 QEVUEVFAHQVPFH-ZETCQYMHSA-N 266.257 -0.395 50 20 CBGD O=C(NNC(=O)[C@H]1COCCO1)c1ccccc1 32647082 ZLYHIUUQKCUNST-SNVBAGLBSA-N 250.254 -0.137 50 20 CBGD CO[C@@H](C)C(=O)NNC(=O)Cn1nc(C)cc1C 78945698 FZLJFKIBKFRTQK-VIFPVBQESA-N 254.290 -0.318 50 20 CBGD C#CCN(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 192228454 AQXUALVUAOMSLP-UHFFFAOYSA-N 290.279 -0.079 50 20 CBGD CCCC(=O)N1CCC[C@H]1C(=O)NN(C)C(N)=O 271242772 BYFMXVPUWAHQRY-QMMMGPOBSA-N 256.306 -0.181 50 20 CBGD CC1CCN(C(=O)C(=O)NNC(=O)C2CC2)CC1 274474171 LRRDUOUMUNPNRS-UHFFFAOYSA-N 253.302 -0.198 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccccc2F)N1 298058038 CMPMCJDGXOWVBQ-VIFPVBQESA-N 265.244 -0.135 50 20 CBGD CN1CC[C@H](CN(C)C(=O)c2ccc(B(O)O)c(F)c2)C1 584943893 XDFIPFHQNYAVJD-JTQLQIEISA-N 294.135 -0.471 50 20 CBGD C[C@H]1CN(C)C[C@H]1NC(=O)c1ccc(B(O)O)cc1 584958223 MZUQDXSNYUQYQB-JOYOIKCWSA-N 262.118 -0.954 50 20 CBGD C[C@H]1CCC[C@@]1(O)CNC(=O)c1cc(B(O)O)ccc1F 584995153 QIHFEIGTCVCGEO-LKFCYVNXSA-N 295.119 -0.214 50 20 CBGD CC[C@H]1COC[C@@H]1NC(=O)c1cccc(B(O)O)c1 585008500 WCKIKGZAEUKYBJ-CABZTGNLSA-N 263.102 -0.479 50 20 CBGD Cc1nccn1CCNCc1ccc(B(O)O)cc1F 585021224 RBWGXWSCSYGPFE-UHFFFAOYSA-N 277.108 -0.200 50 20 CBGD COc1cccc([C@@H](O)CNCc2ccc(B(O)O)o2)c1 585023125 GROMERQDKMYMNL-ZDUSSCGKSA-N 291.112 -0.209 50 20 CBGD COCCC1(CNCc2ccc(B(O)O)o2)CC1 585028420 JTOWMMCCMSZLEH-UHFFFAOYSA-N 253.107 -0.134 50 20 CBGD CCO[C@@H]1COCC[C@H]1NCc1ccccc1B(O)O 585035742 YJVXSKYDQYUMNV-ZIAGYGMSSA-N 279.145 -0.350 50 20 CBGD O=C1CC[C@@H](NCc2cccc(B(O)O)c2)[C@@H](C2CC2)N1 585042639 SUZHAZBLHRBLFX-UKRRQHHQSA-N 288.156 -0.487 50 20 CBGD CCS(=O)(=O)Nc1ccccc1C(=O)NCB(O)O 585059217 DXNVCYYTNPXZLK-UHFFFAOYSA-N 286.118 -0.810 50 20 CBGD O=C(NCB(O)O)c1nn(-c2ccccc2F)cc1O 585062981 YCBLKTQMHWWYOI-UHFFFAOYSA-N 279.036 -0.541 50 20 CBGD CCn1ncc2cc(C(=O)NCB(O)O)c(C)nc21 585063129 ULFQVZHXPNXGPG-UHFFFAOYSA-N 262.078 -0.499 50 20 CBGD CC[C@@H](C(=O)N1CC[C@H](B(O)O)C1)N1CCCC1=O 585070919 IGRAQBBXHOIIKR-UWVGGRQHSA-N 268.122 -0.537 50 20 CBGD O=C(CCN1C(=O)CCC1=O)NNC(=O)c1cccnc1 725895654 LBVFFQFYKSNQMG-UHFFFAOYSA-N 290.279 -0.618 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 728873510 XXBFGPIPRYIXFT-JTQLQIEISA-N 272.264 -0.402 50 20 CBGD Cc1cc(NNC(=O)CCS(C)(=O)=O)nc(C)n1 736710867 YCWSEHPKWXJCKP-UHFFFAOYSA-N 272.330 -0.029 50 20 CBGD Cc1cc(C(=O)NNS(=O)(=O)CCC(=O)O)c(C)o1 738332719 ODVZXKPXZLHKQR-UHFFFAOYSA-N 290.297 -0.065 50 20 CBGD Cc1ncsc1C(=O)NNC(=O)[C@H]1C[C@@H]1C(=O)O 738893106 XUSNYIDMUOAWMS-WDSKDSINSA-N 269.282 -0.067 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(C#N)o1 743438633 PWSZXLIHQABDBK-SSDOTTSWSA-N 284.297 -0.461 50 20 CBGD COc1cc(C)nc(NNC(=O)c2n[nH]c(O)n2)n1 746694390 UMMPYGUKRPZTPP-UHFFFAOYSA-N 265.233 -0.626 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)CC(F)(F)F)nc1 748837543 AQEPJHIDQDIMFB-UHFFFAOYSA-N 290.201 -0.106 50 20 CBGD Cn1cc(CC(=O)NNC(=O)c2ccncc2)cn1 751282971 UHFWJGAFWACPJS-UHFFFAOYSA-N 259.269 -0.181 50 20 CBGD CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)c1ccc[nH]1 766274662 DSUOIVWEWPETRM-BDAKNGLRSA-N 293.327 -0.127 50 20 CBGD CCn1cc(CC(=O)NNC(=O)C(C)(C)O)cn1 768261753 XDTUJTRHMRRGOT-UHFFFAOYSA-N 254.290 -0.636 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)c2ccccn2)nn1 768487118 VBWHZLXQXACGGW-UHFFFAOYSA-N 274.240 -0.478 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1nnn(C)c1C 772160738 XWVIIICDVNCQHA-SSDOTTSWSA-N 283.288 -0.774 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)Cc2ccccc2F)C1=O 772938785 NOGNWGQUNADSSQ-JTQLQIEISA-N 293.298 -0.006 50 20 CBGD C=CCNC(=S)NNC(=O)c1cnc(O)c([N+](=O)[O-])c1 798305130 JNGPYFAACOYUSE-UHFFFAOYSA-N 297.296 -0.010 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cnccc2C#N)cn1 805184714 PCQWAQSIVOXOBQ-UHFFFAOYSA-N 270.252 -0.238 50 20 CBGD COCC(=O)NN=Cc1ccc(S(N)(=O)=O)cc1 811644748 ISPWITVMJCMSPX-UHFFFAOYSA-N 271.298 -0.570 50 20 CBGD C[C@H](NC(=O)NNc1ncncc1F)[C@H]1CN(C)CCO1 814313586 CROJGIXTPVEOSY-WCBMZHEXSA-N 298.322 -0.039 50 20 CBGD CC[C@H](O)[C@H](C)C(=O)NNC(=O)c1cnn(C)c1 822576217 PKERFMHMNRPQBQ-CBAPKCEASA-N 254.290 -0.412 50 20 CBGD COCCN(C)NC(=O)[C@H]1CCCS(=O)(=O)C1 846122752 NZKDFZAMBDHPCF-VIFPVBQESA-N 264.347 -0.579 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)N[C@H]1CCNC1 851670207 GOWRNUQVJPEORD-DTWKUNHWSA-N 256.306 -0.752 50 20 CBGD COCCN(C)NC(=O)[C@H]1CCCc2nn[nH]c21 854412310 GDVYPLJLWLVIEF-QMMMGPOBSA-N 253.306 -0.166 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@H]1CCC(=O)N1C 855005105 BMRNKMWXDSBESN-IVZWLZJFSA-N 283.328 -0.430 50 20 CBGD C[C@@H](Sc1nncn1C)C(=O)NNC(=O)c1cc[nH]n1 855359655 ZVBGPRHZSWLHEZ-ZCFIWIBFSA-N 295.328 -0.520 50 20 CBGD C[C@H]1C[C@@H](C)CN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858696575 LYIXXOIONCIEJF-VGMNWLOBSA-N 268.317 -0.264 50 20 CBGD O=C(Cc1c(F)cccc1F)NNC(=O)[C@H]1CCC(=O)N1 862455866 JXIPJSYWYOEAGO-SNVBAGLBSA-N 297.261 -0.067 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1cn[nH]c1 862469200 BLDZPSWOKLAWKE-HLTSFMKQSA-N 250.258 -0.262 50 20 CBGD CCC[C@@H]1C[C@H]1C(=O)NNC(=O)CS(C)(=O)=O 863465748 FKQMGDUDPODGBC-HTQZYQBOSA-N 262.331 -0.385 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1cn[nH]c1 863927918 VGDUCLVQNWGJPC-PSASIEDQSA-N 266.301 -0.085 50 20 CBGD C#CCCCC(=O)NNC(=O)CCNC(=O)NC 887149338 RUHTYHMHNRIYNV-UHFFFAOYSA-N 254.290 -0.744 50 20 CBGD OC[C@H](C[C@H]1CCCO1)NCc1ccccc1B(O)O 895749542 SKEWXBZXLXFVHW-QWHCGFSZSA-N 279.145 -0.614 50 20 CBGD C[C@H]1CCN(CCNC(=O)NNC(=O)c2ncccn2)C1 897461715 WDJUKSHINRGSJH-JTQLQIEISA-N 292.343 -0.238 50 20 CBGD CO[C@@H]1CCOC[C@H]1NCc1ccc(B(O)O)cc1 897889460 TUJYRWKVUKPDTJ-CHWSQXEVSA-N 265.118 -0.740 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCc2cnn(C)c2C1 910149364 DARIUUKIIRSGTJ-ZJUUUORDSA-N 266.345 -0.131 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CCn1ccccc1=O 910170306 JPBIZZOLJXKRPX-SNVBAGLBSA-N 253.302 -0.418 50 20 CBGD CC(=O)NCC(=O)NNC(=O)c1ccccc1O 917359276 HWGOPCMNGNJQOF-UHFFFAOYSA-N 251.242 -0.711 50 20 CBGD COc1cccc(NNC(=O)[C@@H]2CSCC(=O)N2)n1 935295234 IXZVAHOVZXWTKH-ZETCQYMHSA-N 282.325 -0.235 50 20 CBGD C[C@@H](C(=O)NNc1cccnn1)N1CCN(C)CC1 1116545870 NOYMOQOYFPFGPJ-JTQLQIEISA-N 264.333 -0.444 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CO[C@H]2CCOC2)n1 1116882132 PMWRDUHACGIKRJ-JTQLQIEISA-N 279.296 -0.043 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1nccn1C(F)F 1319298608 DVGRIFMCGRTLDN-UHFFFAOYSA-N 291.214 -0.718 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1C[C@](C)(OC)C1(C)C 1319300238 UETASBYBGSVQLQ-MADCSZMMSA-N 287.316 -0.307 50 20 CBGD CCOCCCNC(=S)NNC(=O)C(=O)OC 1319345606 FRXMXZUMVCHMPD-UHFFFAOYSA-N 263.319 -0.919 50 20 CBGD O=C(CCO)NNC(=O)C(=O)Nc1ccccc1Cl 1320237388 NFTVUSQQEYDFMA-UHFFFAOYSA-N 285.687 -0.192 50 20 CBGD Cc1nnc(NNC(=O)C(=O)N2CCC[C@@H](C)C2)nc1O 1321272607 XUGFHEQLWUJXSJ-SSDOTTSWSA-N 294.315 -0.413 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cnc(C(C)C)[nH]1 1323496781 ODUXBLZSTQBHTP-UHFFFAOYSA-N 261.307 -0.345 50 20 CBGD CS(=O)(=O)c1ccc(N2CC[C@@H](B(O)O)C2)nc1 1329292288 HXJDJFSFFOWEKB-MRVPVSSYSA-N 270.119 -0.462 50 20 CBGD Cn1nc2c(c1C(=O)NNc1nccn(C)c1=O)CCC2 1335551755 JUMNUQDGPHRCQO-UHFFFAOYSA-N 288.311 -0.241 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCSC[C@@H]1CO 1335836654 GSPSFYNWIVGJFM-VIFPVBQESA-N 299.132 -0.945 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CCc2nncn2C1 1336010887 KQSWBSUWQQRVED-VIFPVBQESA-N 253.306 -0.814 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(O)n1 1349454658 CLSBDPSJJWWLCN-YUMQZZPRSA-N 265.269 -0.027 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC2(CCNC2=O)CC1 1349699786 MNTGWZYIMRCTHD-SNVBAGLBSA-N 296.371 -0.466 50 20 CBGD C[C@@H](NC(=S)NNC(=O)c1ccc(=O)n(C)n1)C1CC1 1351044630 PDOCCAKOZMMCOL-SSDOTTSWSA-N 295.368 -0.312 50 20 CBGD CC1(C)CC[C@@H](CO)N(C(=O)c2cccc(B(O)O)c2)C1 1353803155 ZWBFXJDPTCTVNA-ZDUSSCGKSA-N 291.156 -0.011 50 20 CBGD CO[C@H](C(=O)NNC(=O)CCCN)C(=O)OC(C)(C)C 1578890913 DFEKGZSGDRVTEC-SECBINFHSA-N 289.332 -0.771 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1CC[C@H]1C(=O)O 1593994401 BCEQDEHXHFZLNP-JGVFFNPUSA-N 273.289 -0.536 50 20 CBGD Cn1nc(C(=O)O)cc1C=NNC(=O)C1CCOCC1 1594572011 RIWTUVLVSDWASJ-UHFFFAOYSA-N 280.284 -0.005 50 20 CBGD CC[C@@H](C(=O)O)C(=O)NNc1ccc(C(N)=O)nn1 1594755355 HSYJLYXXJZRPJZ-RXMQYKEDSA-N 267.245 -0.871 50 20 CBGD O=C(O)CCc1nc(-c2cccc(B(O)O)c2)no1 1595066815 WLPHQNISHREOME-UHFFFAOYSA-N 262.030 -0.566 50 20 CBGD CCOCC(=O)NNC(=O)Nc1ccc(C(=O)O)cn1 1596862007 TUJOFUOXBGXZKF-UHFFFAOYSA-N 282.256 -0.031 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@H]1C[C@@H](C(=O)O)C1 1601371554 SKXJVRSGWMKHBT-AOOOYVTPSA-N 277.280 -0.118 50 20 CBGD Cc1cccnc1NNC(=O)c1cn(CC(=O)O)nn1 1605360657 VZACNWNDBJJLTJ-UHFFFAOYSA-N 276.256 -0.177 50 20 CBGD CCN1CCC(CNC(=O)NNC(=O)C(=O)O)CC1 1605471786 WRBHRMOUKSBXME-UHFFFAOYSA-N 272.305 -0.867 50 20 CBGD C[C@@H]1[C@@H](C(=O)O)CCN1CC(=O)NNC(=O)C1CC1 1609832106 GWLOELXCICCYKZ-APPZFPTMSA-N 269.301 -0.661 50 20 CBGD O=C(O)Cc1ccc(NC(=O)NNC(=O)CCO)cc1 1610793461 ZOXOXJJXFFVALE-UHFFFAOYSA-N 281.268 -0.151 50 20 CBGD CCN(CC)C(=O)CCCC(=O)NNC(=O)CN(C)C 113426620 QKZHRPIBXSEAIO-UHFFFAOYSA-N 286.376 -0.266 50 20 CBGD O=C(Cn1cnnn1)NNC(=O)c1ccc(Cl)nc1 126703935 GTTRRWDQECGXFT-UHFFFAOYSA-N 281.663 -0.817 50 20 CBGD C[C@@H](C(=O)NNC(=O)CN(C)C)N1CCCCCC1 175943877 STEUJQLLWHWPMZ-NSHDSACASA-N 270.377 -0.040 50 20 CBGD CCOC(=O)/C(C#N)=C/NC[C@@H]1CN2CCN1CC2 178981872 OVNCSOKBTNRPNZ-JATZPVMKSA-N 264.329 -0.454 50 20 CBGD C[C@@H]1C(=O)NCCN1CC(=O)NNC(=O)c1ccccc1 182205438 YQZKORMQCWFXSJ-SNVBAGLBSA-N 290.323 -0.732 50 20 CBGD C=CCNS(=O)(=O)c1cc(C(=O)NN)ccc1F 193180934 HQUXZTUFZBOBKN-UHFFFAOYSA-N 273.289 -0.107 50 20 CBGD CNC(=O)NCC(=O)NNc1ccc(OC)cn1 275456840 DAOKUCZKAAGQFF-UHFFFAOYSA-N 253.262 -0.538 50 20 CBGD CC(C)[C@@H](O)C(=O)NNC(=O)Cc1cccnc1 285767708 XSVVKAWJWQCDCN-LLVKDONJSA-N 251.286 -0.212 50 20 CBGD CN1CCN(C(=O)NNC(=O)CCc2cncn2C)CC1 287780420 KQQJHSHIFQAYOX-UHFFFAOYSA-N 294.359 -0.659 50 20 CBGD Cc1c(C(=O)NNC(=O)N2CCN(C)CC2)cnn1C 288108139 XNZXQWPRKBPVKA-UHFFFAOYSA-N 280.332 -0.670 50 20 CBGD CCN1CCO[C@@H](C(=O)NNc2cnccn2)C1 364329659 XEQMJYNCAMQZJM-SECBINFHSA-N 251.290 -0.360 50 20 CBGD O=C(NC[C@@H]1CCCCO1)c1cc(B(O)O)ccc1F 584935266 FBFBYRPOMVMHBX-JTQLQIEISA-N 281.092 -0.196 50 20 CBGD N#CC1(NC(=O)c2cc(B(O)O)ccc2F)CCOCC1 584947554 ULWHZDVJGDUHPU-UHFFFAOYSA-N 292.075 -0.692 50 20 CBGD CO[C@@H](CNC(=O)c1ccc(B(O)O)cc1)C(C)C 584956000 VUXUEGRXADWWNO-LBPRGKRZSA-N 265.118 -0.233 50 20 CBGD CN(C(=O)c1cccc(B(O)O)c1)[C@@H]1CCSC1 584967407 VABKDKXTRGYJDW-LLVKDONJSA-N 265.143 -0.056 50 20 CBGD CN1C[C@H](N(C)C(=O)c2ccc(B(O)O)cc2)CCC1=O 584991951 GSMJUAPULHYCEX-GFCCVEGCSA-N 290.128 -0.941 50 20 CBGD CC(C)(O)C(C)(C)CNC(=O)c1cccc(B(O)O)c1 585001024 SXSDYOAHETVIFF-UHFFFAOYSA-N 279.145 -0.107 50 20 CBGD OB(O)c1ccccc1CNC[C@H]1CCN(C2CC2)C1 585017657 HBTMTPWTUSYTJO-GFCCVEGCSA-N 274.173 -0.060 50 20 CBGD CN(C)C(=O)CCCNCc1cccc(B(O)O)c1 585021802 OIBFSWAZFSQJPT-UHFFFAOYSA-N 264.134 -0.676 50 20 CBGD CC(C)NC(=O)C[C@H](C)NCc1ccccc1B(O)O 585024007 RTPRKSMFTXDGAV-NSHDSACASA-N 278.161 -0.241 50 20 CBGD C[C@@H](CNCc1ccccc1B(O)O)CN1CCOCC1 585025105 LVNKUQDRWXTWBV-ZDUSSCGKSA-N 292.188 -0.576 50 20 CBGD C[C@H](CC(=O)NCB(O)O)N1CCc2ccccc21 585062469 IZLUWHIDIRYEMA-SNVBAGLBSA-N 262.118 -0.044 50 20 CBGD Cn1c(O)nc2cc(C(=O)N3CC[C@@H](B(O)O)C3)ccc21 585074459 AFDMPVBXCMHVDE-SECBINFHSA-N 289.100 -0.032 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CC(=O)N1CCCC1 732197285 NEXGEQFSKAQPJS-SNVBAGLBSA-N 284.360 -0.514 50 20 CBGD O=C(O)CCS(=O)(=O)NNC(=O)c1ccccc1 739741305 BJNTZBSQWRCFBF-UHFFFAOYSA-N 272.282 -0.275 50 20 CBGD O=C(O)NCCCC(=O)NNC(=O)c1ccccn1 739956608 HRMCOKPXZGRZSA-UHFFFAOYSA-N 266.257 -0.110 50 20 CBGD CCCNC(=O)NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 749358235 DAWDNESEFXUBCE-QMMMGPOBSA-N 294.315 -0.497 50 20 CBGD O=C(CO)NNC(=O)Cc1ccc(NC(=O)C2CC2)cc1 753436801 CRWUHHFXLBKYIV-UHFFFAOYSA-N 291.307 -0.283 50 20 CBGD COc1ccnc(NNC(=O)c2cccc(=O)n2C)n1 756923888 OUCFDJIGWNFSNT-UHFFFAOYSA-N 275.268 -0.059 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@@H]2CCC(=O)N2)nc1 759729572 YVDXXRFOIPPXNJ-QMMMGPOBSA-N 278.268 -0.410 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCCN1c1ncccn1 768260252 VEVVSZVLCHLOAV-VIFPVBQESA-N 293.327 -0.636 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cnn(C)c1C 771972434 RXWKPAMNBISTHE-QMMMGPOBSA-N 282.300 -0.169 50 20 CBGD COC(=O)CNC(=O)NN=Cc1ccc(O)c(C(=O)O)c1 777447103 WVELCMCKEJKQKM-UHFFFAOYSA-N 295.251 -0.104 50 20 CBGD CN(NC(=O)c1cn(-c2ccccc2)nn1)C(N)=O 778417747 WZWQAWZXINUOLN-UHFFFAOYSA-N 260.257 -0.077 50 20 CBGD CN(NC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)C(N)=O 778418580 NWAWDPXKCCMZJD-RFZPGFLSSA-N 282.222 -0.515 50 20 CBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)c2cnn(C)c2)CO1 784112764 ONCBGPHDKMUGSX-HTQZYQBOSA-N 252.274 -0.394 50 20 CBGD Cc1cc(F)cc(-n2cc(C(=O)NNC(=O)CO)nn2)c1 790919521 OPOZIYPNZDKOCJ-UHFFFAOYSA-N 293.258 -0.532 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H](C)N1C(=O)CCC1=O 798306353 YMYVJYZDNYLHEH-SSDOTTSWSA-N 284.341 -0.795 50 20 CBGD C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)N2CCN(C)CC2)O1 807383109 KMVPHXSBWCRQIZ-MXWKQRLJSA-N 284.360 -0.212 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccc(S(C)(=O)=O)o1 823960321 ZULFKAWSMYIVMC-SSDOTTSWSA-N 276.314 -0.360 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCN(C)C(=O)[C@@H]1C 827272857 CTHOVEJBHJIONR-GUBZILKMSA-N 298.343 -0.685 50 20 CBGD C[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)[C@H]1CN 843351461 WALNQNOWLZAWOH-KOLCDFICSA-N 268.361 -0.397 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 845440308 CXUMAZSODJXXPV-HLTSFMKQSA-N 257.290 -0.327 50 20 CBGD O=C(C[C@@H]1CC(=O)N1)NNC(=O)c1cccc([N+](=O)[O-])c1 854122494 OHXIKXJJTKBLIY-QMMMGPOBSA-N 292.251 -0.366 50 20 CBGD CC[C@@H](C(=O)NN(C)C(=S)NC)N1CCCC1=O 854924750 QIQQZTOWJIFAGX-QMMMGPOBSA-N 272.374 -0.145 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CC1 858104510 NGUCBSGPJDCFRI-POYBYMJQSA-N 254.290 -0.606 50 20 CBGD C[C@H]1CCCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 858696106 IXEKTBQEFINDEL-JGVFFNPUSA-N 254.290 -0.510 50 20 CBGD COCc1csc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862463467 FEJJPTHLOWYBCA-QMMMGPOBSA-N 297.336 -0.066 50 20 CBGD O=C(NNC(=O)c1cnn2c1CCC2)c1cn[nH]c1 862469792 TXKFYHZRJJBOPF-UHFFFAOYSA-N 260.257 -0.373 50 20 CBGD CN(C(=O)c1cccc(B(O)O)c1)[C@@H]1CCCC[C@H]1O 869927022 QWWYLLDCJQXGCV-CHWSQXEVSA-N 277.129 -0.258 50 20 CBGD CCN(CC)C(=O)CNC(=O)NNc1ccncn1 873187942 DBZATEUUXWFNCZ-UHFFFAOYSA-N 266.305 -0.029 50 20 CBGD Cc1cc(=NNC(=O)NCC(=O)N2CCOCC2)cc[nH]1 875463534 UHSIQIDLNZSLET-UHFFFAOYSA-N 293.327 -0.703 50 20 CBGD Cc1nnc(NNC(=O)[C@H](C)NC(=O)C(C)(C)C)nc1O 875716245 TXENVNSOMLYIAF-LURJTMIESA-N 296.331 -0.120 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCCC12OCCO2 910149297 BUZLCWIZUONEIX-NXEZZACHSA-N 258.318 -0.127 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 910169881 GXYQKDAMFITFMW-SFYZADRCSA-N 297.277 -0.259 50 20 CBGD CC(C)OCCC(=O)NNC(=O)C(=O)NC1CC1 914718609 KPWLEENHKSWGQF-UHFFFAOYSA-N 257.290 -0.773 50 20 CBGD O=C(NNC(=O)c1cnn[nH]1)c1ccc2c(c1)OCO2 918278374 XUIHUOCTKBGKLI-UHFFFAOYSA-N 275.224 -0.392 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=S)Nc1ccccn1 1119116599 QQGXWOVGEKJGBV-NSHDSACASA-N 284.341 -0.203 50 20 CBGD O=C(CN1C(=O)CCC1=O)NNc1ncc(F)cc1F 1123805128 SZSKLBNTWBWDIG-UHFFFAOYSA-N 284.222 -0.048 50 20 CBGD O=C(CN1C(=O)CCC1=O)NNc1cccc(F)n1 1123826924 FPFFDBBTNVVXAS-UHFFFAOYSA-N 266.232 -0.187 50 20 CBGD CNC(=O)NNC(=O)c1cc(-n2cccn2)ccn1 1251964279 VYIAFLRLWYZBRC-UHFFFAOYSA-N 260.257 -0.159 50 20 CBGD O=C1CC[C@@H](C(=O)NNc2ncc(F)cn2)CN1 1253775246 KYWKHJDZSRJHLI-ZCFIWIBFSA-N 253.237 -0.415 50 20 CBGD O=C(NNC(=O)C1CCNCC1)N[C@@H]1C[C@H]2CC[C@@H]1O2 1261515500 JTQFQLZEGCVMRS-MXWKQRLJSA-N 282.344 -0.364 50 20 CBGD NC(=O)c1csc(C=NNC(=O)C(=O)NC2CC2)c1 1319058339 RDTOWANZNUUEAJ-UHFFFAOYSA-N 280.309 -0.424 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCOCc1ccccc1 1319338833 OKMUOCQZJJVSDY-UHFFFAOYSA-N 295.295 -0.293 50 20 CBGD CCNC(=O)NNC(=O)CCCS(C)(=O)=O 1322589683 BXJHRUZXQNCASJ-UHFFFAOYSA-N 251.308 -0.839 50 20 CBGD CCS(=O)(=O)CC(=O)NNc1ncncc1F 1325042808 RULWAEVUHCEKAD-UHFFFAOYSA-N 262.266 -0.507 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)Cc1ccncc1 1325075597 ALNBEHJIARUZTN-UHFFFAOYSA-N 264.285 -0.702 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cn(C)nc1CC 1325503597 MCSLSXGJPHEVET-UHFFFAOYSA-N 267.289 -0.522 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2NC[C@@H]3C[C@@H]32)n1 1330702488 WJKBQXSIXHJUIS-OYNCUSHFSA-N 263.301 -0.155 50 20 CBGD CO[C@H]1Cc2ccc(NC(=O)C(=O)NNC(C)=O)cc2C1 1337961727 WQARLSKXQWOTCF-LBPRGKRZSA-N 291.307 -0.094 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=S)Nc1ccccn1 1352253541 LQZNPIRTWCPUOX-SSDOTTSWSA-N 281.341 -0.076 50 20 CBGD COc1nccnc1NNC(=O)[C@H]1CN2CCN1C[C@@H]2C 1352293419 YOIDSDPURIJEFP-VHSXEESVSA-N 292.343 -0.683 50 20 CBGD C=C(CCN(C)C)C(=O)NN(C)C(=O)N1CCNCC1 1574849841 RMBCFEHDCLZHDE-UHFFFAOYSA-N 283.376 -0.518 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@H]2C[C@H](C)CCN2)n[nH]1 1579589365 GHMWFTJYISQFEB-LDYMZIIASA-N 279.344 -0.204 50 20 CBGD CC(=NNC(=O)C(N)=O)c1cccc(-c2nn[nH]n2)c1 1588773330 WTRBSLFJMSYNDI-UHFFFAOYSA-N 273.256 -0.808 50 20 CBGD CO[C@](C)(C(=O)O)C(=O)NNC(=O)Cc1cccnc1 1593926329 GPMZQVGTGJKURR-LBPRGKRZSA-N 281.268 -0.739 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@H]1CC[C@H]1C(=O)O 1594551478 GMULPTYHYVUJNY-JGVFFNPUSA-N 265.269 -0.103 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1ccc(C(=O)O)s1 1598140597 YYKPTNWEOKVLRG-UHFFFAOYSA-N 293.326 -0.089 50 20 CBGD Cc1cc(NNC(=O)[C@H](C)CC(=O)O)nc(N)n1 1600283522 VPKSHNMUCDQWOT-RXMQYKEDSA-N 253.262 -0.079 50 20 CBGD Cc1ccc(NNC(=O)c2nnn(C)n2)cc1C(=O)O 1600463851 WLLCDCZDTNVQHZ-UHFFFAOYSA-N 276.256 -0.026 50 20 CBGD C[C@H](C(=O)O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 1602805015 MQGOAQXEDXXPDB-LURJTMIESA-N 280.236 -0.103 50 20 CBGD C[C@H](CO)N(C)NC(=O)C1(C(=O)O)CCOCC1 1603203334 ZTTHYSADERHVCT-MRVPVSSYSA-N 260.290 -0.788 50 20 CBGD O=C(O)CC1(NC(=O)c2cc(B(O)O)ccc2F)CCC1 1606081201 BVARWTFEZAYISH-UHFFFAOYSA-N 295.075 -0.367 50 20 CBGD Cn1cc(C(=O)NN=C2CC[C@@H](C(=O)O)C2)nn1 1608098394 HOXHLVCUEGORRZ-ZCFIWIBFSA-N 251.246 -0.214 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)N[C@H]1C[C@H](C(=O)O)C1 1608477881 OUHYOEOQGXEBOW-IWSPIJDZSA-N 285.300 -0.251 50 20 CBGD Cc1[nH]c(C=NNC(=O)c2cn(C)nn2)cc1C(=O)O 1776092572 SHBJSMWJNWCFOB-UHFFFAOYSA-N 276.256 -0.086 50 20 CBGD NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1795967995 PVVPAYXSZKVKTG-JXUBOQSCSA-N 289.763 -0.817 50 20 CBGD CC(C)CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 42872587 YIGYPVLMTYMXBC-MRVPVSSYSA-N 277.346 -0.450 50 20 CBGD CCc1cc(C(=O)NNC(=O)[C@@H]2CCCO2)[nH]n1 97298028 ILIRWDHGAYJMEK-VIFPVBQESA-N 252.274 -0.088 50 20 CBGD O=C(CNC(=O)c1cccnc1)NNC(=O)C1CCC1 122309176 UYZDVDJYVAZBNJ-UHFFFAOYSA-N 276.296 -0.241 50 20 CBGD O=C1NCCCC[C@@H]1NS(=O)(=O)CBr 126695068 QYQJHOGZWNXEBR-LURJTMIESA-N 285.163 -0.073 50 20 CBGD CCN(CC)CC(=O)NNC(=O)N1CCOCC1 194953625 XKRPKVAFXXLTKH-UHFFFAOYSA-N 258.322 -0.599 50 20 CBGD CN1C[C@@H](C(=O)NNC(=O)Cc2cccnc2)CC1=O 264039767 QZGDHDWABXVXCS-JTQLQIEISA-N 276.296 -0.750 50 20 CBGD COCC(=O)N[C@H](C(=O)NNc1ncncc1F)C(C)C 293965417 JYMKUVOVOZLFRO-JTQLQIEISA-N 299.306 -0.154 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2COCCO2)n1 298381869 AEOOXBWRZDZLON-JTQLQIEISA-N 282.300 -0.937 50 20 CBGD CC(C)CN1N=C(C(=O)NN(C)C(N)=O)CCC1=O 376367420 KAFGAVANJAJYCE-UHFFFAOYSA-N 269.305 -0.338 50 20 CBGD CN1CCC(N(C)C(=O)c2cccc(B(O)O)c2)CC1 584924324 SLUZWFWOYSFEER-UHFFFAOYSA-N 276.145 -0.467 50 20 CBGD C[C@H]1C[C@@H](CNC(=O)c2cccc(B(O)O)c2)CCO1 584970238 NMGLSGQZHPCKCS-QWRGUYRKSA-N 277.129 -0.089 50 20 CBGD CN(C(=O)c1ccc(B(O)O)c(F)c1)[C@H]1CC[C@H](O)CC1 584979298 PTOIACFOAQDAEZ-XYPYZODXSA-N 295.119 -0.119 50 20 CBGD CCn1nccc1CN(C)C(=O)c1cccc(B(O)O)c1 584982043 KRYYUDZNOAZRHT-UHFFFAOYSA-N 287.128 -0.145 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC(F)(F)[C@@H](CO)C1 584991419 YKNSJHNMLFVWLZ-SNVBAGLBSA-N 299.082 -0.544 50 20 CBGD C[C@H]1C[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)CO1 585003273 JKHCYVQRTXAYIJ-CBAPKCEASA-N 267.065 -0.587 50 20 CBGD CC(C)(C)N1CC[C@@H](NC(=O)c2cccc(B(O)O)c2)C1 585006935 BYLMYIOGWVCXPG-CYBMUJFWSA-N 290.172 -0.031 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@H]2CC[C@@H]2C1 585007158 KSFZQYBRUPCDFC-NXEZZACHSA-N 263.077 -0.013 50 20 CBGD CN(C)CCN1CCC(NCc2ccc(B(O)O)o2)CC1 585017769 KSHUNFFGDLUYDK-UHFFFAOYSA-N 295.192 -0.925 50 20 CBGD CC(C)N(C)CCNCc1cccc(B(O)O)c1 585020739 HUNUMIDFAWNOPL-UHFFFAOYSA-N 250.151 -0.204 50 20 CBGD Cn1cc(CCNCc2cccc(B(O)O)c2)cn1 585042034 YUVGIOZSILQASP-UHFFFAOYSA-N 259.118 -0.568 50 20 CBGD CCNC(=O)CCCC(=O)NNC(=O)C(=O)N1CCCC1 729529903 MOTYGOWUGMURKB-UHFFFAOYSA-N 298.343 -0.937 50 20 CBGD O=C(Cc1cc(O)nc(S)n1)NN=C1CCOC1 731926200 QNMSWXOTKLICHZ-UHFFFAOYSA-N 268.298 -0.094 50 20 CBGD COC(=O)[C@H]1CCCN1CC(=O)NNC(=O)C1CC1 733995289 ACILYKVXDHQJQJ-SECBINFHSA-N 269.301 -0.819 50 20 CBGD O=C(NNS(=O)(=O)c1cnc[nH]1)C1CCCC1 736539909 RHERDYPZEXKLMY-UHFFFAOYSA-N 258.303 -0.091 50 20 CBGD CN(CCS(C)(=O)=O)C(=O)NNC(=O)C(C)(C)C 753070556 OCIORGIGJSVKAH-UHFFFAOYSA-N 279.362 -0.250 50 20 CBGD COc1ccc(OC)c(CC(=O)NNC(=O)CO)c1 753436574 AGASXEZISQOMES-UHFFFAOYSA-N 268.269 -0.614 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 753451366 DLWMSSFWFIDXJK-VIFPVBQESA-N 283.328 -0.693 50 20 CBGD Cc1nn(C)c(N2CCOCC2)c1C=NNC(N)=O 755463892 GOBGUJYERLXFPM-UHFFFAOYSA-N 266.305 -0.433 50 20 CBGD NC(=O)c1ccc(NNC(=O)Cc2ccccc2O)nn1 757405145 YYRRMZWEMIBFNW-UHFFFAOYSA-N 287.279 -0.033 50 20 CBGD Cc1ccc(NC(=O)NNC(=O)CO)c(N(C)C)n1 757759920 BGNQVHJUKPMKQW-UHFFFAOYSA-N 267.289 -0.399 50 20 CBGD CSC[C@H](C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758056072 RIIXUIUAVPDPKY-NKWVEPMBSA-N 297.402 -0.929 50 20 CBGD C[C@H](NC(=O)C1CCCC1)C(=O)NNC(=O)C(C)(C)O 768245369 RUPPUSPSMYLANB-QMMMGPOBSA-N 285.344 -0.400 50 20 CBGD COc1ccnc(NNC(=O)[C@H]2CCC(=O)N2C)n1 771619405 HKEZKESGXGCXQB-SSDOTTSWSA-N 265.273 -0.451 50 20 CBGD O=C(CO)NNC(=O)c1ccc(N2CCCC2=O)cc1 777782014 MKPWLTOYGNUATP-UHFFFAOYSA-N 277.280 -0.433 50 20 CBGD COC(=O)CNC(=O)NN=Cc1c(O)cc(O)c(C)c1O 782269863 WMJUANLMXHVXOZ-UHFFFAOYSA-N 297.267 -0.082 50 20 CBGD CN(NC(=O)c1ccnc(S(N)(=O)=O)c1)C1CC1 819650068 SJSDAAATROEQEJ-UHFFFAOYSA-N 270.314 -0.532 50 20 CBGD CN1CC[C@H](CNS(=O)(=O)CCl)CC1=O 819895949 WDVKEYZBQLRGQY-ZETCQYMHSA-N 254.739 -0.030 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)[C@H]1C[C@@H](O)C1 822671767 PSSYJOLQIKHNAM-SYDPRGILSA-N 255.196 -0.350 50 20 CBGD CNC(=O)NNC(=O)COc1ccc(CO)cc1 823425263 PSVKORFGRKQCBT-UHFFFAOYSA-N 253.258 -0.482 50 20 CBGD CCN(CCO)NC(=O)Cc1c(C)nn(C)c1C 823842510 UNFHKTQYYRKHOX-UHFFFAOYSA-N 254.334 -0.075 50 20 CBGD COCCn1cc(C(=O)NN(C)[C@H](C)CO)c(C)n1 823934553 HNWASBVSUWANGK-SECBINFHSA-N 270.333 -0.205 50 20 CBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)NC1CCCC1 824342476 IQSXCYDUYDVZQH-SNVBAGLBSA-N 268.317 -0.120 50 20 CBGD C[C@@H](NC(N)=O)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 824540518 ZLPKJRSAGYYPTM-ZCFIWIBFSA-N 290.287 -0.633 50 20 CBGD O=C(NN=C1CCN(C(=O)O)CC1)[C@H]1COCCO1 831731188 SWXIUKZJJZYRQZ-SECBINFHSA-N 271.273 -0.352 50 20 CBGD CCCN1C[C@H](C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1=O 843662892 VGCAUKPBKCCZES-MXWKQRLJSA-N 297.355 -0.183 50 20 CBGD COc1ccnc(NNC(=O)Cc2nonc2C)n1 845182477 QNHDXPGKPLCFSZ-UHFFFAOYSA-N 264.245 -0.138 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2CCCS2(=O)=O)n1 847011868 YEWCUZQBAUCXLO-JTQLQIEISA-N 297.336 -0.272 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@H]2CCCS2(=O)=O)n1 848371584 PHRCHDQBGHNSHG-MRVPVSSYSA-N 299.356 -0.437 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@@H](C(=O)O)C1CCC1 854238170 RIMWOAFRPGGJQC-SECBINFHSA-N 287.316 -0.146 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(N)=O)[nH]1 857294325 DENSWXZMBNAADS-RNFRBKRXSA-N 280.284 -0.700 50 20 CBGD CCO[C@H]1CCCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858694261 KFPGBRULKPVNHX-VHSXEESVSA-N 298.343 -0.493 50 20 CBGD CC[C@H](C)NC(=S)NNC(=O)COCCOC 865244141 DOWUDYKKUXSVLL-QMMMGPOBSA-N 263.363 -0.057 50 20 CBGD COCCOCC(=O)NNC(=O)COC(F)F 869905904 QLHVQRCXZYUQHD-UHFFFAOYSA-N 256.205 -0.964 50 20 CBGD C[C@@H](CN(C)C)NC(=O)NNC(=O)C1CCOCC1 883697658 LXRQGYFCEIDENG-VIFPVBQESA-N 272.349 -0.307 50 20 CBGD C[C@@H](CCNCc1ccccc1B(O)O)N(C)C 895290002 BIXZLXYWFMIBQK-NSHDSACASA-N 250.151 -0.204 50 20 CBGD CC(C)N1CCN(CCC(=O)NN(C)C(N)=O)CC1 901279962 UJJZTMLMDQJZMT-UHFFFAOYSA-N 271.365 -0.556 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CCCC(=O)N1C 907253341 SWNVFJWASWMOJY-MRVPVSSYSA-N 256.306 -0.310 50 20 CBGD O=C(CNC(=O)N1CCCC1)NNc1cnccn1 907477730 RVDFNRGHOLAYRC-UHFFFAOYSA-N 264.289 -0.275 50 20 CBGD CC(C)c1nccnc1NNC(=O)CN1CCNC(=O)C1 907782419 HTYAOSRFLAWFFV-UHFFFAOYSA-N 292.343 -0.525 50 20 CBGD O=C(COc1ccc(F)cc1)NNC(=O)Cn1cncn1 910801663 YTCGFFDWWMTDEF-UHFFFAOYSA-N 293.258 -0.356 50 20 CBGD CC[C@@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)N(C)C 911505123 RILPCVHFRWVXHX-UTLUCORTSA-N 257.334 -0.101 50 20 CBGD CN1CC[C@H]1CNC(=O)NNC(=O)N=c1cc[nH]cc1 925424523 MLEWIRUCNXQPRL-JTQLQIEISA-N 278.316 -0.457 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2CCC(=O)C2)nc1O 1118285872 YIOYANBWCFRVRF-LURJTMIESA-N 251.246 -0.302 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCCC(F)F)N1 1123650131 MOZJNHZHJUQJTE-RXMQYKEDSA-N 264.232 -0.749 50 20 CBGD COC(=O)COc1ccc(C=NNC(=O)C(=O)OC)cc1 1254453158 DHOTTZYWLBDOSH-UHFFFAOYSA-N 294.263 -0.139 50 20 CBGD CO[C@@H]1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C[C@@H]1C 1261791270 LJSSYODNFIEUKB-IVZWLZJFSA-N 298.343 -0.637 50 20 CBGD COC(=O)c1ccc(C(=O)NN(C)C(N)=O)cn1 1320021898 BNYKDNUVCUXFEC-UHFFFAOYSA-N 252.230 -0.477 50 20 CBGD Cc1nn(C)cc1S(=O)(=O)NNC(=O)c1cnn(C)c1 1323635259 PEDKQDZURNHAPI-UHFFFAOYSA-N 298.328 -0.915 50 20 CBGD CN(C)c1cc(NC(=O)NNC(=O)CCO)ncn1 1323890451 DOMAXTSLHDIYSZ-UHFFFAOYSA-N 268.277 -0.922 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CCC(O)(c2nn[nH]n2)CC1 1325084145 JHACFTABOLPUEX-HJWRWDBZSA-N 292.299 -0.546 50 20 CBGD CC(C)CC(=O)NNC(=O)NCc1cnnn1C 1325293128 FUGPHLYSZREKSG-UHFFFAOYSA-N 254.294 -0.308 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H](C)n1cnc(C#N)n1 1326362232 CYZUNMGBSICSQV-HRDYMLBCSA-N 292.299 -0.717 50 20 CBGD Cc1cccc(NNC(=O)CC[C@@H]2NC(=O)NC2=O)n1 1329173027 RVTAAQSRLRVSMI-QMMMGPOBSA-N 277.284 -0.179 50 20 CBGD C[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccn1 1330109936 YNQNUFHARSUQAX-PSASIEDQSA-N 276.296 -0.389 50 20 CBGD CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)Cc1cc[nH]n1 1336343265 ZWRFHPNPSURTIC-VHSXEESVSA-N 266.301 -0.085 50 20 CBGD Nc1ncc(C=NNC(=O)CNC(=O)c2ccco2)cn1 1342076553 FARVFGLRYHLPEX-UHFFFAOYSA-N 288.267 -0.468 50 20 CBGD Nc1nccnc1C(=O)NNc1ccc(-n2ccnc2)nn1 1344049359 PHOSVRXPIOGDHM-UHFFFAOYSA-N 297.282 -0.209 50 20 CBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1C[C@@H]2CC[C@H]1O2 1346969876 ACKUKXGUYLBTOL-IVZWLZJFSA-N 296.327 -0.741 50 20 CBGD O=C(Cc1ccc(Cl)cn1)NNC(=O)C(=O)NC1CC1 1349636088 GKBKTYMQUWWKSA-UHFFFAOYSA-N 296.714 -0.297 50 20 CBGD C[C@]1(C(=O)NNC(=O)c2ccccc2F)C[C@H](O)CN1 1573602138 SJNCFBMIGXTHPJ-ISVAXAHUSA-N 281.287 -0.300 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCNC1)[C@H]1CCCn2ncnc21 1580732988 LLQAMWWDKNETHQ-ZJUUUORDSA-N 292.343 -0.698 50 20 CBGD CC[C@H](C(=O)O)C(=O)NNC(=O)[C@@]1(C)CCCO1 1594755742 QFAOLITVDMEIHU-WRWORJQWSA-N 258.274 -0.186 50 20 CBGD O=C(O)C1(C(=O)NNc2ccc(-n3ccnc3)nn2)CC1 1594865033 SJVKIKHKFINOBC-UHFFFAOYSA-N 288.267 -0.030 50 20 CBGD Cc1ccc(CNC(=O)NNC(=O)C(=O)O)nc1 1600416625 LSZIGPJJUSYMKI-UHFFFAOYSA-N 252.230 -0.695 50 20 CBGD CCNC(=O)NNC(=O)c1ccc2[nH]c(=O)n(C)c2c1 161415706 LLGIYIDNDNSHOE-UHFFFAOYSA-N 277.284 -0.170 50 20 CBGD C[C@H](C(=O)NNC(=O)CN(C)C)N1CCCCCC1 175943898 STEUJQLLWHWPMZ-LLVKDONJSA-N 270.377 -0.040 50 20 CBGD CCNC(=O)N(C)NC(=O)CN1CCSC1=O 272693168 QZLNANGTPXZPSS-UHFFFAOYSA-N 260.319 -0.152 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C(C)(C)O 276296168 SFXBAZBBUHRALG-UHFFFAOYSA-N 275.305 -0.571 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1O[C@@H](C)C[C@H]1C 282744715 RYXMJAQIUPAJAA-HRDYMLBCSA-N 271.317 -0.528 50 20 CBGD COC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)c1cc(C)n[nH]1 285954586 ZTEGRTGROPVVIS-JGVFFNPUSA-N 280.284 -0.322 50 20 CBGD CNC(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCCO2)c1 292042234 AOHSYHWCXGRAID-NSHDSACASA-N 291.307 -0.014 50 20 CBGD O=Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)[nH]1 294072227 QKOBQEDEAVMKMV-VIFPVBQESA-N 251.242 -0.233 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)CSCC(N)=O 298447752 ZALQNNPGDKBXJC-UHFFFAOYSA-N 281.337 -0.025 50 20 CBGD Cc1noc(CCCNC(=O)c2cccc(B(O)O)c2)n1 584939965 PHHCETKDTOHDTL-UHFFFAOYSA-N 289.100 -0.580 50 20 CBGD C[C@H](O)C[C@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F 584966086 VYVOHORPYFQNFT-GXSJLCMTSA-N 295.119 -0.119 50 20 CBGD CN1CC[C@]2(CCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 584992590 PTXSSQHIDMBILV-HNNXBMFYSA-N 288.156 -0.466 50 20 CBGD COC[C@H]1CC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584992644 QJCGOVRPQGRJEO-BXKDBHETSA-N 281.092 -0.340 50 20 CBGD CC(C)(C)c1nc(CNCc2ccc(B(O)O)o2)no1 585033454 FZYVVNLXCGJSJY-UHFFFAOYSA-N 279.105 -0.070 50 20 CBGD C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](B(O)O)C1 585070064 VVPBZFRCSAGXSG-BDAKNGLRSA-N 270.138 -0.388 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1C(C)=O 729341781 SONRKQSJBFWTOS-LBPRGKRZSA-N 290.323 -0.080 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)c1ccccn1 730271163 MRYATHDLEMMDNB-LBPRGKRZSA-N 272.308 -0.060 50 20 CBGD O=C(CN1CCCNC1=O)NNC(=O)C1CCC1 732140862 MDHYCVYHVDMYBE-UHFFFAOYSA-N 254.290 -0.651 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)[C@H]1CCN(C)C1=O 738330644 HVNGLEMUJSDHQD-QWRGUYRKSA-N 298.387 -0.269 50 20 CBGD CC(CCO)=NNC(=O)CNC(=O)c1ccco1 749855393 LXRVZZDPDKEZHN-UHFFFAOYSA-N 253.258 -0.116 50 20 CBGD Cc1nc(SCC(=O)NNC(=O)Cc2cc[nH]n2)n[nH]1 755270101 WSNQSNSJXKIOLK-UHFFFAOYSA-N 295.328 -0.682 50 20 CBGD C#CCOCCC(=O)NNC(=O)Cc1cc[nH]n1 755283453 XUBXDLRABZLSBB-UHFFFAOYSA-N 250.258 -0.861 50 20 CBGD C[C@@H]1CN(C2CC2)CC1=NNC(=O)C(=O)NC1CC1 755893286 ZBFVPQKILFQCHI-MRVPVSSYSA-N 264.329 -0.149 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc2nccnc2c1 770407977 AUZFRUIQESKVQH-UHFFFAOYSA-N 273.296 -0.048 50 20 CBGD CC[C@H](CO)C(=O)NNC(=O)Cc1cccnc1 779768078 UNWNXFGBWUDLRB-SNVBAGLBSA-N 251.286 -0.210 50 20 CBGD CCCC(=O)N1CCC[C@H]1C(=O)NNC(=O)C(C)(C)O 787946254 QFSJFBZQNGEKEN-VIFPVBQESA-N 285.344 -0.304 50 20 CBGD CCNC(=O)NNC(=O)CC[C@]1(C)CCC(=O)N1 793206758 JFVVCXMWEJIXEP-NSHDSACASA-N 256.306 -0.214 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)C1(O)CCSCC1 802034261 GPHVGUMFDPGJBR-UHFFFAOYSA-N 296.352 -0.086 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCC(=O)N1C 806817464 XQECAYCEKQEOJA-MRVPVSSYSA-N 265.273 -0.900 50 20 CBGD O=C(NN=C[C@H]1CCCOC1)N[C@@H]1CCS(=O)(=O)C1 814814316 HCBQCJGYJOJXOX-NXEZZACHSA-N 289.357 -0.115 50 20 CBGD Cc1nn(C)cc1C1=NO[C@@H](C(=O)NN(C)[C@H](C)CO)C1 823384306 HYVYUBDFPZWHCA-PRHODGIISA-N 295.343 -0.435 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 823846105 BMAOEHLYHFGGMA-QMMMGPOBSA-N 297.277 -0.257 50 20 CBGD C[C@H](CO)N(C)NC(=O)CS(=O)(=O)C1CCCC1 823969963 AITXZJZERREFIS-SECBINFHSA-N 278.374 -0.312 50 20 CBGD C[C@H](CO)N(C)NC(=O)CCNC(=O)C(C)(C)C 823977045 NBEZCFCGMGIFNU-SECBINFHSA-N 259.350 -0.117 50 20 CBGD CC1CCN(CC(=O)NNC(=O)c2ncccn2)CC1 841444020 BDZPZRTWZYBPQG-UHFFFAOYSA-N 277.328 -0.031 50 20 CBGD CCNCCNC(=O)NNc1nc2ccccn2n1 841935118 FKAMAEQQDBHVEI-UHFFFAOYSA-N 263.305 -0.035 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1cncc(O)c1 848386242 KWMHQXYCFFJVPA-LDYMZIIASA-N 279.296 -0.098 50 20 CBGD CC(C)C(=O)NNC(=O)CN[C@H](CCO)C(F)(F)F 852080863 HLEOVRWCFSFHCG-SSDOTTSWSA-N 285.266 -0.307 50 20 CBGD O=C(C[C@@H]1CC(=O)N1)NNC(=O)c1ccccc1F 854180558 MXTGDFGTRIGTKP-ZETCQYMHSA-N 265.244 -0.135 50 20 CBGD CN1C[C@@H](C(=O)NNC(=O)OCC(F)(F)F)CC1=O 856025153 LLRRXMARGYNGPU-YFKPBYRVSA-N 283.206 -0.216 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 858125715 LNPUMQFFIVYTNK-YUMQZZPRSA-N 270.358 -0.418 50 20 CBGD CCCCOCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858161789 FBRGQZXTQZFMQW-SECBINFHSA-N 286.332 -0.588 50 20 CBGD CCn1cc(C(=O)NNC(=O)N2CCN(C)CC2)c(C)n1 861571222 YDOLVNKQVHHWDY-UHFFFAOYSA-N 294.359 -0.187 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CC23CCC3)N1 862456910 WHBMOZDUAJXUQJ-SFYZADRCSA-N 251.286 -0.397 50 20 CBGD CC1(C)OCC(C)(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CO1 862457146 BNDQEVDFXCYYSW-QMMMGPOBSA-N 299.327 -0.798 50 20 CBGD CN(C[C@H](O)C1CC1)C(=O)c1ccc(B(O)O)cc1 863877000 OZZUVTCEGCTCTC-LBPRGKRZSA-N 263.102 -0.791 50 20 CBGD C=CCOC[C@@H](NCc1ccc(B(O)O)cc1)C(=O)OC 863891745 YHIFCJDMAHJSCW-CYBMUJFWSA-N 293.128 -0.800 50 20 CBGD COCCOCC(=O)NNC(=O)CN(C)c1ccccc1 869909522 ZDCSWTJXDLMQFM-UHFFFAOYSA-N 295.339 -0.067 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCCC(N)=O 1116843169 XMARFUGWMGHAID-UHFFFAOYSA-N 253.262 -0.865 50 20 CBGD O=C(C[C@@H]1COC(=O)C1)NNC(=O)c1cccc(F)n1 1118740154 IZSFBZHKPPSXGG-ZETCQYMHSA-N 281.243 -0.065 50 20 CBGD COCC(=O)NCCC(=O)NNC(=O)c1ccc(C)o1 1252720768 SZHINTYPFIQOSZ-UHFFFAOYSA-N 283.284 -0.498 50 20 CBGD N#CC1=CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1261512599 RUSAHTIMXCBLMP-VIFPVBQESA-N 255.299 -0.640 50 20 CBGD CC(C)NC(=S)NNC(=O)c1ccc(=O)n(C)n1 1317704991 QIJOYYBFZXWKSJ-UHFFFAOYSA-N 269.330 -0.702 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CO[C@H]1CCOC1 1319361748 PYDFMTPBXPBMRT-QMMMGPOBSA-N 268.273 -0.715 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1cnn(CCOC)c1 1320261628 PZMOSQBAFMMMFM-UHFFFAOYSA-N 299.287 -0.755 50 20 CBGD COc1cc(NC(=O)C(=O)NNC(=O)C2CC2)ccn1 1323230295 PLIHOIGXKBUUSA-UHFFFAOYSA-N 278.268 -0.414 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 1328741738 WLNSLBMFDULXOE-YUMQZZPRSA-N 256.306 -0.360 50 20 CBGD Cc1cc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)n[nH]1 1330175671 JESDQAVOLVJXKA-VIFPVBQESA-N 286.357 -0.176 50 20 CBGD O=C(CN1CCC(CO)CC1)NNC(=O)NC1CCCC1 1337096263 ICNQGANMIHXAMU-UHFFFAOYSA-N 298.387 -0.036 50 20 CBGD Cc1ccc(/C=C\C(=O)NNC(=O)[C@@H]2CCN2)cn1 1579679597 VJFFACIULJVRKE-WYGGZMRJSA-N 260.297 -0.087 50 20 CBGD C[C@H](O)CN(C)NC(=O)C1(C(=O)O)CCOCC1 1589152505 OZMOGECDFOPXSH-QMMMGPOBSA-N 260.290 -0.788 50 20 CBGD C[C@@]1(C(=O)NNc2ncccc2C(=O)O)CCNC1=O 1589181258 IYKADXVYVJIRHZ-GFCCVEGCSA-N 278.268 -0.251 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H](C(=O)O)C(C)(C)C 1593691942 HVPGXOLJDYRDTQ-QMMMGPOBSA-N 259.306 -0.558 50 20 CBGD C[C@@]1(C(=O)O)CCCN(CC(=O)NNC(=O)C2CC2)C1 1593777318 VPQUYHQRUCQDGX-CYBMUJFWSA-N 283.328 -0.270 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNc1ccc(C(=O)O)cn1 1596443558 AQOOOUDKXIAICQ-JTQLQIEISA-N 294.311 -0.056 50 20 CBGD Cn1ncc(Br)c1C=NNC(=O)C(=O)O 1601019318 JERLFPKWADGJRR-UHFFFAOYSA-N 275.062 -0.283 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]21 1601552971 PNZXFMRJVNKNRW-LPEHRKFASA-N 293.254 -0.121 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)C1(C(=O)O)CC1 1603824336 LFWGNHGCHVPSQU-UHFFFAOYSA-N 288.300 -0.212 50 20 CBGD O=C(O)C[C@@H]1CS(=O)(=O)CCN1C(=O)CCl 1608703357 SJYPNCGLFLQHHL-ZCFIWIBFSA-N 269.706 -0.675 50 20 CBGD CNC(=O)NNC(=O)c1ccccc1NS(C)(=O)=O 49119586 LNYREZSRPICYRJ-UHFFFAOYSA-N 286.313 -0.368 50 20 CBGD CCN1C[C@@H](C(=O)NNC(=O)NC2CC2)CC1=O 49150543 BIXNFXIRILRFMG-ZETCQYMHSA-N 254.290 -0.652 50 20 CBGD CC(C)C(=O)NNC(=O)CNC(=O)c1cccnc1 160555713 OFOPLUYSIAFDHC-UHFFFAOYSA-N 264.285 -0.385 50 20 CBGD CNC(=O)CCN(C)CC(=O)NNC(=O)c1ccccc1 170783907 IDGNPYKFMHTNRL-UHFFFAOYSA-N 292.339 -0.485 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)c2cccn2C)CC1=O 192751203 MTAXDVCZBNYJAN-VIFPVBQESA-N 278.312 -0.346 50 20 CBGD O=C1CCCC[C@H](C(=O)NNC(=O)c2ccncc2)N1 193662003 KFECNUFTTMOYIM-SNVBAGLBSA-N 276.296 -0.099 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1cccc(F)n1 286673553 WHJJXDROMHHKPV-UHFFFAOYSA-N 270.264 -0.231 50 20 CBGD Cc1ncccc1CC(=O)NNC(=O)N1CCN(C)CC1 287715945 FQFYFSPQYGENLP-UHFFFAOYSA-N 291.355 -0.079 50 20 CBGD CC(C)NC(=O)NNC(=O)Cn1nc2ccccn2c1=O 299310211 RXCNCMHYSIJOFM-UHFFFAOYSA-N 292.299 -0.765 50 20 CBGD CN1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)C1 584934586 VDJNXSPAPUELLV-SNVBAGLBSA-N 262.118 -0.952 50 20 CBGD O=C(N[C@H]1CCC[C@@H](CO)C1)c1ccc(B(O)O)c(F)c1 585000691 NOKNVZKPYIOIKS-KOLCDFICSA-N 295.119 -0.214 50 20 CBGD CC(C)N1CC[C@@H](NCc2ccc(B(O)O)o2)C1=O 585027838 DSWWKWOOOOEMAL-SNVBAGLBSA-N 266.106 -0.942 50 20 CBGD CSC1(CNCc2ccc(B(O)O)o2)CCN(C)CC1 585041330 NPSVOHDHISJSTI-UHFFFAOYSA-N 298.217 -0.124 50 20 CBGD Cn1nccc1[C@H]1OCC[C@@H]1NCc1ccc(B(O)O)o1 585042859 WCVWJLMOLUROAQ-GWCFXTLKSA-N 291.116 -0.687 50 20 CBGD COc1ccc(CCNCc2ccc(B(O)O)o2)cn1 585049688 UFRUZCJHVLKCTC-UHFFFAOYSA-N 276.101 -0.305 50 20 CBGD O=S(=O)(CCOCc1ccccc1)NCB(O)O 585059513 QFBQDVDUVYNHQR-UHFFFAOYSA-N 273.119 -0.865 50 20 CBGD Cn1cc(Nc2cccc(C(=O)NCB(O)O)c2)cn1 585063152 UWRVRLZTPHAZIC-UHFFFAOYSA-N 274.089 -0.095 50 20 CBGD CS(=O)(=O)NCCC(=O)NNc1nccnc1Cl 734261530 JNJXMJYSJXFFKE-UHFFFAOYSA-N 293.736 -0.488 50 20 CBGD O=C(CO)NNC(=O)Nc1cccc2c1OCCO2 756149728 JORNCRKUWXGSQF-UHFFFAOYSA-N 267.241 -0.397 50 20 CBGD O=C(CN1CCO[C@H]([C@@H]2CCCO2)C1)NNC(=O)C1CC1 756897222 WFGCQYODEZOGKY-RYUDHWBXSA-N 297.355 -0.576 50 20 CBGD CCOCCO[C@H](C)C(=O)NNc1ccc(C(N)=O)nn1 757402197 KCHVKKNKEXQGLC-MRVPVSSYSA-N 297.315 -0.540 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(C)[C@@H](C)C1 761078276 WORLSSQJAPJABW-VHSXEESVSA-N 256.350 -0.432 50 20 CBGD C[C@H](C(=O)NNc1ncc(F)cn1)N1C(=O)CCC1=O 762099093 LJCZSEAAAYXDDC-ZCFIWIBFSA-N 281.247 -0.404 50 20 CBGD O=S(=O)(CBr)NCc1nnnn1C1CC1 782452568 KEKVWVJLYVJTEU-UHFFFAOYSA-N 296.150 -0.220 50 20 CBGD CNC(=O)NNC(=O)Cc1cc(OC)c(O)c(OC)c1 789911688 JAOLOSNPZLAEQM-UHFFFAOYSA-N 283.284 -0.088 50 20 CBGD C[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)c1cnn(C)c1 807381003 ZFIMRUXRGGINEV-SNVBAGLBSA-N 294.359 -0.488 50 20 CBGD CN1CCN(C(=O)NNC(=O)C(=O)OC(C)(C)C)CC1 808471268 AZBYCPQACZZHQG-UHFFFAOYSA-N 286.332 -0.684 50 20 CBGD CCN(CCO)NC(=O)c1cnc(O)cc1OC 823377447 UHTDWXHEUAXCFG-UHFFFAOYSA-N 255.274 -0.245 50 20 CBGD Cc1cc(C)n(CC(=O)NN(C)[C@@H](C)CO)c(=O)n1 823934021 ABMWPNISEDXLFS-JTQLQIEISA-N 268.317 -0.796 50 20 CBGD COC(=O)[C@H]1CCCCN1CC(=O)NNC(=O)C(C)C 827281280 KLXNMEISUBKGNO-SNVBAGLBSA-N 285.344 -0.183 50 20 CBGD Cc1cccc2c1O[C@H](C(=O)NNC(=O)CO)C2 827893269 ALNITLHKLYUNJZ-VIFPVBQESA-N 250.254 -0.562 50 20 CBGD CC(C)(O)[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 832434688 DDIHSVJQWYQOEW-GFCCVEGCSA-N 291.156 -0.011 50 20 CBGD CC(C)(O)[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 832435117 KSIHUMCCWSXIBA-LBPRGKRZSA-N 291.156 -0.011 50 20 CBGD COc1cc(C(C)=NNC(=O)C(N)=O)cc(OC)c1O 842519886 WBQMFKDZRWSYBX-UHFFFAOYSA-N 281.268 -0.265 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@]1(O)CCSC1 843977970 ISCNJXZJVHEERF-DKCNOQQISA-N 274.342 -0.573 50 20 CBGD COCCCOCCC(=O)NNC(=O)C(=O)NC(C)C 854291258 TVXFOIWPYSUCNV-UHFFFAOYSA-N 289.332 -0.898 50 20 CBGD O=C(CCCF)NNC(=O)CNC(=O)c1cccnc1 857154781 LEEBWLVMLUIEAG-UHFFFAOYSA-N 282.275 -0.292 50 20 CBGD COc1ccnc(NNC(=O)[C@@H](NC=O)C(C)C)n1 858403561 GKQKGHOOIQGYSL-VIFPVBQESA-N 267.289 -0.301 50 20 CBGD COCCCNC(=O)NNC(=O)C1CC(OC)C1 858783121 MENYRVMNUZCCES-UHFFFAOYSA-N 259.306 -0.222 50 20 CBGD Cc1ccnn1CC(=O)NNC(=O)c1cnn(C)c1 859447627 UGVMRRGJDQRQKF-UHFFFAOYSA-N 262.273 -0.614 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)oc1C 862457836 RVXHMAQOROJFRJ-MRVPVSSYSA-N 265.269 -0.064 50 20 CBGD Cc1cc(=NNC(=O)[C@H](C)n2cnc(C#N)n2)cc[nH]1 862513847 MLAHCOGDNSVAEK-VIFPVBQESA-N 271.284 -0.021 50 20 CBGD NC(=O)NCCC(=O)NNCC(F)(F)C(F)(F)F 863091622 XWDUDLXSESEZBI-UHFFFAOYSA-N 278.181 -0.137 50 20 CBGD C[C@H]1COCCCN1C(=O)c1cc(B(O)O)ccc1F 863876069 NBZYGSSZTOISLA-VIFPVBQESA-N 281.092 -0.244 50 20 CBGD C#CCC[C@@H](O)CNC(=O)c1cc(B(O)O)ccc1F 863880470 ARXYZFOXSRCZRT-SNVBAGLBSA-N 279.076 -0.990 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)/C=C\CN1CCOCC1 865568637 VZHXYCGLJJXYIA-IHWYPQMZSA-N 293.327 -0.632 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCC2(CCO2)CC1 868937405 OTEGANCYBMDJSD-UHFFFAOYSA-N 293.103 -0.099 50 20 CBGD O=C(N[C@H]1CCn2cncc2C1)c1cccc(B(O)O)c1 869101404 BGPDMYHMXXHLBX-LBPRGKRZSA-N 285.112 -0.692 50 20 CBGD Cc1cc(=NNC(=O)N[C@H](C)C(=O)N(C)C)cc[nH]1 875095796 MFDSBMAKBJAJJW-SECBINFHSA-N 265.317 -0.085 50 20 CBGD CO[C@H]1CN[C@](C)(C(=O)NNc2ncccn2)C1 876590375 UYMWUYWMKRZPNX-KCJUWKMLSA-N 251.290 -0.313 50 20 CBGD C/C=C/C=C/C(=O)NNC(=O)CN1CCCC1=O 913730534 ZHFVADFIFYNIJM-WJPDYIDTSA-N 251.286 -0.112 50 20 CBGD O=C(/C=C/c1ccc[nH]1)NNC(=O)CN1CCCC1=O 913732523 ZRBGXKLBFGBXEQ-AATRIKPKSA-N 276.296 -0.202 50 20 CBGD Cc1cc(=NNC(=O)NC[C@@H]2COCO2)cc[nH]1 923840719 LLIGPARFTCHDKS-SNVBAGLBSA-N 252.274 -0.189 50 20 CBGD C[C@]1(NNC(=O)NC2CCOCC2)CCS(=O)(=O)C1 1115869436 HHUMNHOQRZTWPH-NSHDSACASA-N 291.373 -0.454 50 20 CBGD CC[C@](C)(C#N)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1117100738 NKUIPKMGDOCDNS-LDYMZIIASA-N 287.341 -0.492 50 20 CBGD COC(=O)CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1119633264 KCVKRSBTWGYYTQ-MRVPVSSYSA-N 278.330 -0.958 50 20 CBGD Cn1cc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cn1 1317730488 UCDLOLCRAINRNK-SECBINFHSA-N 270.314 -0.695 50 20 CBGD Cc1nn[nH]c1C(=O)NNC(=O)Cc1cccnc1 1321706147 NZXWVHVMCUFQHB-UHFFFAOYSA-N 260.257 -0.488 50 20 CBGD CC(=O)N1CCC[C@@H](C(=O)NNc2nc[nH]n2)C1 1324555468 UQYRBKUYFIQRBA-MRVPVSSYSA-N 252.278 -0.494 50 20 CBGD C[C@H](CC(=O)NNC(=O)[C@H]1CCC(=O)N1)n1cccn1 1329529013 CKHMXQKKEYHKSF-RKDXNWHRSA-N 279.300 -0.740 50 20 CBGD Cc1cc(C(=O)NNC(=O)C2CCOCC2)n(C)n1 1333587466 KMAPVUAZDLBJHF-UHFFFAOYSA-N 266.301 -0.084 50 20 CBGD O=C(C[C@@H]1CCC(=O)N1)NNC(=O)c1ccc[nH]1 1347191813 MZFSCFHDPXWRCO-ZETCQYMHSA-N 250.258 -0.556 50 20 CBGD C[C@@H](NC(=S)NNC(=O)c1cnn(CCO)c1)C1CC1 1348854337 WEJKUDFBYAQIIF-MRVPVSSYSA-N 297.384 -0.217 50 20 CBGD COCCCc1cn(CC(=O)NNC(=O)C2CC2)nn1 1349746265 WQDWDKNLOPVLRP-UHFFFAOYSA-N 281.316 -0.586 50 20 CBGD CNC[C@H](O)[C@@H](C)C(=O)NNC(=O)c1ccccc1F 1578646223 QNTJXGXZXUFFGI-KCJUWKMLSA-N 283.303 -0.197 50 20 CBGD O=C(NNc1ccncn1)c1cc(-c2nn[nH]n2)c[nH]1 1582562803 QULUVCLAQUHYFZ-UHFFFAOYSA-N 271.244 -0.258 50 20 CBGD C[C@H](NC(=O)NNC(=O)C(=O)O)c1cccnc1 1593102434 RVACRIICCBFVHT-LURJTMIESA-N 252.230 -0.442 50 20 CBGD O=C(NCCOC1CCCC1)NNC(=O)C(=O)O 1601503024 FIMZCSJUQRGCGH-UHFFFAOYSA-N 259.262 -0.639 50 20 CBGD CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)C(=O)O 1603344457 JMQOZANFWWKVJP-SSDOTTSWSA-N 272.305 -0.726 50 20 CBGD COc1ccc(NC(=O)NNC(=O)C(=O)O)cn1 1610340954 LVTSTLLIBFQFMY-UHFFFAOYSA-N 254.202 -0.673 50 20 CBGD Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NNC(=O)C(=O)O 1610569490 YIAWJNPPTZFHQN-ZCFIWIBFSA-N 297.315 -0.617 50 20 CBGD O=C(CN1CCC[C@@H]1CO)NNC(=O)c1cccs1 50116460 DYXVLUYRWPSZSU-SECBINFHSA-N 283.353 -0.034 50 20 CBGD Cc1cnccc1CC(=O)NNC(=O)C(C)(C)O 277997252 QJZSXHMSSXWYCC-UHFFFAOYSA-N 251.286 -0.149 50 20 CBGD CC[S@](=O)CC(=O)NNC(=O)c1ccccc1O 278710093 RZICVRKFONCBCU-SFHVURJKSA-N 270.310 -0.078 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cncc(-n2ccnn2)c1 283081395 LAECKMAHCDLVAK-UHFFFAOYSA-N 289.299 -0.032 50 20 CBGD CN(CCC(N)=O)CC(=O)NNC(=O)c1ccccc1 286544386 SCFSZLOXRXSHTC-UHFFFAOYSA-N 278.312 -0.745 50 20 CBGD Cc1nn(C)c(C)c1C(=O)NNC(=O)N1CCOCC1 299410952 ZTLWXGHKIUUJDP-UHFFFAOYSA-N 281.316 -0.276 50 20 CBGD CCOC(=O)NNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 493969347 VNSQVEZUJUXPRD-ZETCQYMHSA-N 295.361 -0.272 50 20 CBGD C[C@](O)(CC(=O)Nc1cccc(B(O)O)c1)C1CC1 584913210 RDCDHBDUOWRHNT-ZDUSSCGKSA-N 263.102 -0.144 50 20 CBGD N#CCCCCNC(=O)c1ccc(B(O)O)c(F)c1 584944121 ZMUVHHADLDRXBV-UHFFFAOYSA-N 264.065 -0.071 50 20 CBGD CC(C)[C@@H](O)CCNC(=O)c1cc(B(O)O)ccc1F 584952583 VFSAFZXGDSCNHG-LBPRGKRZSA-N 283.108 -0.358 50 20 CBGD C[C@](CO)(NC(=O)c1cc(B(O)O)ccc1F)C1CC1 584963038 OPDDKVSPXGBANE-CYBMUJFWSA-N 281.092 -0.604 50 20 CBGD C[C@H]1CSC[C@@H]1NC(=O)c1cc(B(O)O)ccc1F 584988786 UHKGDBXLPJHDLY-CPCISQLKSA-N 283.133 -0.013 50 20 CBGD O=C(CCNCc1ccc(B(O)O)o1)NC1CCCCC1 585017233 QGPUUSCUYDMGMC-UHFFFAOYSA-N 294.160 -0.112 50 20 CBGD C[C@@H](CN1CCOC[C@@H]1C)NCc1ccc(B(O)O)o1 585021434 KJQKWTXPZTYOLD-QWRGUYRKSA-N 282.149 -0.842 50 20 CBGD Cc1c(CCNCc2ccccc2B(O)O)cnn1C 585027983 CHPPONGUGHBQRP-UHFFFAOYSA-N 273.145 -0.259 50 20 CBGD OB(O)c1ccc(CN[C@H]2c3ccccc3C[C@H]2O)o1 585028933 SRLMKPFLBXREKR-OCCSQVGLSA-N 273.097 -0.293 50 20 CBGD OB(O)c1cccc(CNCCCO[C@H]2CCOC2)c1 585029671 BEFGWRVMBFUJCQ-AWEZNQCLSA-N 279.145 -0.348 50 20 CBGD C[C@@H](CC[S@@](C)=O)NCc1ccc(B(O)O)cc1F 585031630 WMBDLQRYYUCKTG-ZRNGKTOUSA-N 287.165 -0.248 50 20 CBGD OB(O)c1ccc(CNCC2=CCCOC2)c(F)c1 585041556 ZDWXINAVXYHMFG-UHFFFAOYSA-N 265.093 -0.058 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)NCCc2cccs2)CC1 731616881 GKKUQXVKZFMHNW-UHFFFAOYSA-N 296.352 -0.114 50 20 CBGD CCS(=O)(=O)C[C@@H](C)NC(=O)NNC(=O)C1CCC1 733660093 MATGRVARWOEPMF-MRVPVSSYSA-N 291.373 -0.060 50 20 CBGD O=C(O)NCCCC(=O)NNC(=O)c1cccnc1 739957383 SUESARFBWQWTRR-UHFFFAOYSA-N 266.257 -0.110 50 20 CBGD CCCCN(CC(N)=O)CC(=O)NNC(=O)C(C)(C)C 744388897 ZDEHGQXZOKFHBX-UHFFFAOYSA-N 286.376 -0.233 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@H](CO)C1 746461934 GJEVPGWLIKBCKE-QWRGUYRKSA-N 271.361 -0.117 50 20 CBGD CC[C@@H](C)C(=O)NNS(=O)(=O)c1cn(C)cn1 751269670 XECBAVWSYXXPPI-SSDOTTSWSA-N 260.319 -0.224 50 20 CBGD O=C(CO)NNC(=O)C(=O)c1cnn(-c2ccccc2)c1 753453149 YUIZMJHNQATQJK-UHFFFAOYSA-N 288.263 -0.805 50 20 CBGD Cc1nnccc1C(=O)NNC(=O)c1c[nH]nc1C 753568923 NHAPIPQFFWNKAX-UHFFFAOYSA-N 260.257 -0.109 50 20 CBGD O=C(NNC(=O)c1ccc[nH]1)c1cnc2[nH]nnc2c1 754882158 DEMJSHCKYUIWNF-UHFFFAOYSA-N 271.240 -0.244 50 20 CBGD CCOc1cccc(NC(=O)C(=O)NNC(=O)CO)c1 764428528 GNUDIYAZSDWFPE-UHFFFAOYSA-N 281.268 -0.837 50 20 CBGD N#Cc1ncn(CC(=O)NNC(=O)CCc2ccccc2)n1 769167802 TYVYYGYDQGDZKO-UHFFFAOYSA-N 298.306 -0.070 50 20 CBGD O=C(NN=Cc1ccc(O)c(C(=O)O)c1)C(=O)NC1CC1 777429355 GEPQPNBWHOONDM-UHFFFAOYSA-N 291.263 -0.181 50 20 CBGD CC(C)(O)C(=O)NNC(=O)COC[C@H]1CCCO1 787952802 CNCPAKCYDPQJMV-MRVPVSSYSA-N 260.290 -0.900 50 20 CBGD O=C(CCc1cnc[nH]1)NNC(=O)N1CCOCC1 793271789 AKSXTIGFKCNBJD-UHFFFAOYSA-N 267.289 -0.585 50 20 CBGD CCOCC(=O)NNC(=O)NCCS(=O)(=O)C(C)C 812439044 KKOJIRRXQMQDEO-UHFFFAOYSA-N 295.361 -0.824 50 20 CBGD COc1ccnc(NNC(=O)NCCCC(=O)O)n1 818635797 OXTYPCSKXDSSLK-UHFFFAOYSA-N 269.261 -0.024 50 20 CBGD CNC(=S)N(C)NC(=O)C(C)(C)CN1CCOCC1 823558300 FRAVVFMIMDRLSR-UHFFFAOYSA-N 288.417 -0.188 50 20 CBGD O=C(NNC(=O)C1CCC1)c1nc2ncccn2n1 827216520 ZDUAKRLGILSVPR-UHFFFAOYSA-N 260.257 -0.315 50 20 CBGD COC(=O)[C@@H]1CN(CC(=O)NNC(=O)C(C)C)C[C@H]1C 828030540 FFONTGXUPROSOR-NXEZZACHSA-N 285.344 -0.469 50 20 CBGD C[C@H]1C[C@H](NC(=O)NNC(=O)C(=O)N2CCCC2)CO1 828427142 JDNOCZZLAWQALZ-IUCAKERBSA-N 284.316 -0.883 50 20 CBGD CCN1C[C@@H](NC(=O)NNC(=O)CC(F)(F)F)CC1=O 838678094 YFLSSMODXPEASA-LURJTMIESA-N 296.249 -0.110 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)C1 843964957 HCAVGXVBLAXYAQ-XKSSXDPKSA-N 254.286 -0.072 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)Cn2nccc2C)n1 858148634 FQPNTFOFAOUBGY-UHFFFAOYSA-N 290.327 -0.148 50 20 CBGD C[C@H]1CSCCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858695727 FRJDWZNRVKJNAE-YUMQZZPRSA-N 286.357 -0.557 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@]1(C)CCNC1=O 874450127 PHWIRUCPDWMGBB-CQSZACIVSA-N 291.307 -0.018 50 20 CBGD O=C(CO)N1CCN(S(=O)(=O)CCCCl)CC1 882041115 IQTYXLGIKZGOFO-UHFFFAOYSA-N 284.765 -0.918 50 20 CBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1C 1255507980 OEHSTYUBQAXJIA-UHFFFAOYSA-N 297.242 -0.607 50 20 CBGD O=C(NNC(=O)c1cn(C2CC2)nn1)NC1CC1 1328815186 MWKORKCMYNIVQE-UHFFFAOYSA-N 250.262 -0.281 50 20 CBGD O=C(CCn1cncn1)NNC(=O)CC(F)(F)F 1329350865 RSPQSMWXRUANJJ-UHFFFAOYSA-N 265.195 -0.232 50 20 CBGD Cc1nn(C)c(N)c1C=NNC(=O)[C@@H]1CCC(=O)N1 1335347359 PDCCULLBLLTTPE-QMMMGPOBSA-N 264.289 -0.961 50 20 CBGD CC(C)(C(N)=O)C(=O)NNC(=O)Cc1cccnc1 1343822336 DTBQNGRFHLAAHR-UHFFFAOYSA-N 264.285 -0.717 50 20 CBGD Cn1nncc1NNC(=O)CCc1ccccc1C(N)=O 1343974832 OWRLKUZHQSCGCB-UHFFFAOYSA-N 288.311 -0.010 50 20 CBGD Cn1cncc1CC(=O)NNC(=O)Cc1cccnc1 1346446660 KTQDPIRLHHYIBI-UHFFFAOYSA-N 273.296 -0.252 50 20 CBGD C[C@H](CN)NC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br 1347977433 GAKCSTACIGQABP-BRDIYROLSA-N 292.177 -0.261 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 1350778722 PIKHLEMWVPRZLC-INTQDDNPSA-N 252.318 -0.133 50 20 CBGD C[C@]1(CNC(=O)CNCCN)C[C@@H]1Br 1354356521 DOIZUKRHKVNWND-IONNQARKSA-N 264.167 -0.176 50 20 CBGD O=C(NN=Cc1cocn1)[C@H]1CN2CCC[C@H]2CO1 1549318933 DYQBSBXNWRGUJR-WDEREUQCSA-N 264.285 -0.012 50 20 CBGD Cc1ccc(C(=O)NNC(=O)COCC(=O)O)cc1O 1594346690 BQRLOJAVFWSZCV-UHFFFAOYSA-N 282.252 -0.437 50 20 CBGD COCCOCC(=O)NNC(=O)c1cc(C(=O)O)ccn1 1599247730 MQFNQCIGAYSAIB-UHFFFAOYSA-N 297.267 -0.796 50 20 CBGD Cn1cc(NC(=O)c2ccc(B(O)O)cc2)cc1C(=O)O 1600966471 XLEQHJYAODBLIK-UHFFFAOYSA-N 288.068 -0.345 50 20 CBGD COC(=O)C(=O)NN=Cc1c(C)nn(CCC(=O)O)c1C 1606316862 IAVLKFGJGYCJLX-UHFFFAOYSA-N 296.283 -0.402 50 20 CBGD OB(O)[C@H]1CCN(c2ccc(-c3nn[nH]n3)nc2)C1 1607091780 LIXHXSUTUOFWKS-ZETCQYMHSA-N 260.066 -0.685 50 20 CBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNc2cccc(C(=O)O)c2)O1 1608239330 BUGFVVJXUCZXCM-VHSXEESVSA-N 293.279 -0.139 50 20 CBGD O=C(NC[C@@H]1OCCc2ccccc21)NNC(=O)C(=O)O 1608440131 TXFFJOQCXTYRNA-JTQLQIEISA-N 293.279 -0.285 50 20 CBGD COC(=O)C(=O)NN[C@H](C(=O)O)c1ccc(F)cc1 1610149491 IVDLALDFAPBYCR-QMMMGPOBSA-N 270.216 -0.255 50 20 CBGD O=C(NNC(=O)c1cn[nH]n1)c1ccc(Cl)nc1 48937254 PVWLIMGWBRJJES-UHFFFAOYSA-N 266.648 -0.072 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@]2(O)CCSC2)[nH]n1 270928278 VKOVVIYLPTWLCJ-JTQLQIEISA-N 270.314 -0.653 50 20 CBGD COC(=O)CNC(=O)[C@@H](C)N1CC=C(C#N)CC1 272701731 WIPABSGVVJJPCN-SECBINFHSA-N 251.286 -0.180 50 20 CBGD CCNC(=O)N(C)NC(=O)CNC(=O)NCc1ccco1 272932033 GHYUDYXYVSILRX-UHFFFAOYSA-N 297.315 -0.229 50 20 CBGD C=CCNC(=S)NNC(=O)CSc1nc(C)n[nH]1 281388781 XTDZZNOPOVWQGK-UHFFFAOYSA-N 286.386 -0.113 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cccn(C)c2=O)O1 293944098 PMELKPBHZKIYMM-WPRPVWTQSA-N 279.296 -0.286 50 20 CBGD CCCCN(CCO)C(=O)c1cccc(B(O)O)c1 584931243 MTVFZEWQTXSYON-UHFFFAOYSA-N 265.118 -0.399 50 20 CBGD CCN(CCOC)C(=O)c1ccc(B(O)O)c(F)c1 584989902 XPPGMCYGGWPDSN-UHFFFAOYSA-N 269.081 -0.386 50 20 CBGD CC[C@H](O)[C@@H](CC)NC(=O)c1ccc(B(O)O)c(F)c1 584997161 WTCQEMZPSKMTAE-NEPJUHHUSA-N 283.108 -0.215 50 20 CBGD C[C@@H]1[C@H](CO)CCCN1C(=O)c1cc(B(O)O)ccc1F 585000046 IUOWIJQTMSKIBY-ZJUUUORDSA-N 295.119 -0.262 50 20 CBGD C[C@@H]1CN(CCNCc2ccc(B(O)O)cc2)CCO1 585022150 JXRQYFDSJCWXFN-GFCCVEGCSA-N 278.161 -0.823 50 20 CBGD OCCC1(CNCc2ccc(B(O)O)o2)CCOCC1 585031656 WUHYLKQAUYXEOW-UHFFFAOYSA-N 283.133 -0.772 50 20 CBGD O=S1(=O)CCC[C@@H]1CNCc1cccc(B(O)O)c1 585044572 NADMQYKOEOHZDF-GFCCVEGCSA-N 283.158 -0.967 50 20 CBGD C[C@H](NCc1cccc(B(O)O)c1)c1ccn(C)n1 585046070 MCEUPDSBGDKZIG-JTQLQIEISA-N 259.118 -0.049 50 20 CBGD N#Cc1cc(F)c(S(=O)(=O)NCB(O)O)c(F)c1 585055836 JTUOLCPCXSEECB-UHFFFAOYSA-N 276.029 -0.873 50 20 CBGD O=C(CN1CC=CCN1)NNC(=O)c1cccs1 705143373 ZCOCCKPIVILJCE-UHFFFAOYSA-N 266.326 -0.115 50 20 CBGD O=C(NCCn1cncn1)NNC(=O)c1ccccc1 726708826 IINCLEFMYZNHBP-UHFFFAOYSA-N 274.284 -0.078 50 20 CBGD Cc1ncc(CO)c(C=NNC(=O)CN(C)C)c1O 727647983 QQNYLWHRNYTLHY-UHFFFAOYSA-N 266.301 -0.400 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)c2ccccc2F)CC1 731597336 MOFFFZRXDGVGND-UHFFFAOYSA-N 265.244 -0.148 50 20 CBGD CN(C)C(=O)CNC(=S)NNC(=O)C1CCC1 731943512 FNRWZXIMZYVTBS-UHFFFAOYSA-N 258.347 -0.630 50 20 CBGD O=C(NCCCn1cncn1)NNC(=O)C1CCC1 732241276 XOTOGRCCBNXLSJ-UHFFFAOYSA-N 266.305 -0.201 50 20 CBGD CC(C)NC(=O)CN(C)CC(=O)NNc1cnccn1 734245135 JXJBAXVSKWVCMD-UHFFFAOYSA-N 280.332 -0.624 50 20 CBGD CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1N 749354196 FTSNSJZXMDCSFR-UHFFFAOYSA-N 253.218 -0.249 50 20 CBGD CN(C)CCC(=O)NNC(=S)NCC(F)(F)F 750976564 HGHRSVVVIKNDLY-UHFFFAOYSA-N 272.296 -0.004 50 20 CBGD Cc1[nH]nc(C(=O)NNC(=O)Cc2cc[nH]n2)c1O 755277830 VWRKZINLKLRAJS-UHFFFAOYSA-N 264.245 -0.849 50 20 CBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)Cc1cc[nH]n1 755278714 BTCSHMDYFLNESQ-SSDOTTSWSA-N 268.273 -0.701 50 20 CBGD COc1cc(C(=O)NNC(=O)C(=O)NC2CC2)ccc1F 763182718 GQIOAPXVPTYSTC-UHFFFAOYSA-N 295.270 -0.126 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@]23CCOC3)cn1 763478403 CDLYKKSOELWAMK-CABZTGNLSA-N 264.285 -0.392 50 20 CBGD CC(C)(C)S(=O)(=O)CC(=O)NNC(=O)NCC1CC1 767326165 BCVORMBWXYEGQB-UHFFFAOYSA-N 291.373 -0.060 50 20 CBGD Cc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)n1C 773659432 RHZFXKMZUVLXEV-UHFFFAOYSA-N 279.344 -0.065 50 20 CBGD Cc1cc(CC(=O)NNC(=O)N2CCN(C)CC2)n[nH]1 773675374 ZRAZXQTXGFQJPT-UHFFFAOYSA-N 280.332 -0.751 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1CCN(CC(F)(F)F)C1 792638684 QTRUDQDJOKOBMD-QMMMGPOBSA-N 296.293 -0.420 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@](C)(C#N)CC(=O)O 820354561 ZAWJWTGPRPBLEY-JTQLQIEISA-N 256.262 -0.317 50 20 CBGD O=C(O)[C@H]1CN(S(=O)(=O)CBr)CCO1 821512378 HMWTZFVTFIQATJ-RXMQYKEDSA-N 288.119 -0.546 50 20 CBGD CN1C(=O)CS/C1=C\C(=O)NNC(=O)[C@@H]1CCCCO1 823236594 BXDSQVHKLLGFGJ-OITNDJBGSA-N 299.352 -0.251 50 20 CBGD O=C(NNc1cnccn1)c1cc(-c2nn[nH]n2)c[nH]1 823280615 DIOZUIBQWPTMQH-UHFFFAOYSA-N 271.244 -0.258 50 20 CBGD C[C@H](NC(=S)NNC(=O)C[C@@H]1CC(=O)NC1=O)C1CC1 824446177 HWUKEEFNZAYOKF-XPUUQOCRSA-N 298.368 -0.667 50 20 CBGD COCC(COC)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 826918610 XKOVHVMYGVINFJ-SCZZXKLOSA-N 289.332 -0.597 50 20 CBGD Cc1cc(C(=O)NNC(=O)CN2CCCC2=O)co1 827831978 RUGYSUREMFKSSS-UHFFFAOYSA-N 265.269 -0.029 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@H]2CC2(F)F)CC1 830240787 OZDBAIGDRQLCKQ-SSDOTTSWSA-N 262.260 -0.370 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC(=O)N(C)CC1 852577292 CKOIVVKRLYPLMZ-LLVKDONJSA-N 298.387 -0.268 50 20 CBGD CC(Cn1cncn1)=NNC(=O)CNC(=O)c1ccco1 853300024 YHYZHKOTGKNBAK-UHFFFAOYSA-N 290.283 -0.207 50 20 CBGD CO[C@H]1C[C@H](NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1 858571422 FTICSPYJWWRSCR-AATLWQCWSA-N 271.317 -0.081 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)C(C)(F)F 862462799 SNRWRFDRPXKHOC-PHDIDXHHSA-N 263.244 -0.296 50 20 CBGD COCCOCC(=O)NNC(=O)c1cccnc1F 869906285 KOEWKLSTOARWPF-UHFFFAOYSA-N 271.248 -0.355 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H](F)C(C)C 869906428 LGOIPGSCUMXNPV-VIFPVBQESA-N 250.270 -0.209 50 20 CBGD COCCOCC(=O)NNC(=O)CCc1cscn1 869908988 DRYIZLNVCHFSLY-UHFFFAOYSA-N 287.341 -0.114 50 20 CBGD CCN1CC[C@H](NC(=O)NN(C)C(=O)OC)C1=O 875570760 YRLYWVHBLKWCFG-ZETCQYMHSA-N 258.278 -0.480 50 20 CBGD CO[C@H]1CN([C@@H](C)C(=O)NNC(=O)CC(C)C)CCO1 878969685 ACPLWEINIZXBBJ-CMPLNLGQSA-N 287.360 -0.127 50 20 CBGD CO[C@@H]1CCCN(C(=O)NNC(=O)c2cccnn2)C1 883851044 KHOUOEHAMWUFOF-SECBINFHSA-N 279.300 -0.058 50 20 CBGD OB(O)c1ccc(CNCCO[C@@H]2CCOC2)cc1 897199943 NUUPRMQZXWDUEZ-CYBMUJFWSA-N 265.118 -0.739 50 20 CBGD COc1cccc(C[C@@H](O)C(=O)NN(C)C[C@H](C)O)c1 910157916 BHSQPVRNQIXIAI-GXFFZTMASA-N 282.340 -0.058 50 20 CBGD O=C(CCCn1ccnc1)NNC(=O)CN1CCCC1=O 913730502 XYAZZTSMPVBWMG-UHFFFAOYSA-N 293.327 -0.567 50 20 CBGD C[C@]1(C(=O)NNC(=O)CN2CCCC2=O)CCOC1 913731983 CVTWJAHGPHLGDH-LBPRGKRZSA-N 269.301 -0.817 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CN2CCCC2=O)cn1 920436269 ZSJPLNVPPZRVIC-UHFFFAOYSA-N 276.296 -0.227 50 20 CBGD O=C(CO)NNC(=O)NC1(C(F)(F)F)CCOCC1 932296779 PQLBBLHMJQKMCJ-UHFFFAOYSA-N 285.222 -0.579 50 20 CBGD CC[C@](C)(O)C(=O)NNC(=O)Cc1ccncc1 934043884 OITKQHKZPHWZKJ-LBPRGKRZSA-N 251.286 -0.068 50 20 CBGD COC(=O)CCCNC(=S)NNC(=O)c1cnccn1 1115825203 OHPKZFSORNQQQZ-UHFFFAOYSA-N 297.340 -0.461 50 20 CBGD CNC(=O)NNS(=O)(=O)c1c(C)nn(C)c1C 1255163303 DDDXEBAVRABAEA-UHFFFAOYSA-N 261.307 -0.841 50 20 CBGD O=C(Cn1ccc(O)nc1=O)NNc1ccccn1 1320108294 BXZNZAURCNPNGX-UHFFFAOYSA-N 261.241 -0.513 50 20 CBGD O=C(CCCN1C(=O)CNC1=O)NNc1cccnn1 1320352234 LWQCZJHASDXYCI-UHFFFAOYSA-N 278.272 -0.748 50 20 CBGD CCn1ccc(CC(=O)NNC(=O)C(=O)NC(C)C)n1 1326475329 GLIVAXATQHIDPS-UHFFFAOYSA-N 281.316 -0.883 50 20 CBGD C[C@@H](CC(=O)NNc1ccc(C(N)=O)nn1)n1ccnc1 1326621247 QWVXYFFXXWRYPA-QMMMGPOBSA-N 289.299 -0.134 50 20 CBGD COCc1cnc(NC(=O)NNC(=O)CCO)s1 1326690080 MYHBCNHWFCDXCI-UHFFFAOYSA-N 274.302 -0.175 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@H]1CCOC(=O)N1 1328833205 BCLBJHGRIXBVIA-SECBINFHSA-N 278.268 -0.730 50 20 CBGD Cc1cccc(NNC(=O)c2cnn(C[C@@H](O)CO)c2)n1 1329536843 DCKQZDYPLLOCSK-LLVKDONJSA-N 291.311 -0.303 50 20 CBGD CCOc1cc(C(=O)NNC(=O)Cc2cc[nH]n2)[nH]n1 1330299209 LCOLCHBONIHVGX-UHFFFAOYSA-N 278.272 -0.465 50 20 CBGD COCCOCC(=O)NNC(=O)CNC(C)(C)C 1332170575 MRUIAJVOQOEOIG-UHFFFAOYSA-N 261.322 -0.815 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cc2n(n1)C[C@@H](C)NC2 1341720171 WWFVJEKYDWSREC-MRVPVSSYSA-N 280.332 -0.319 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccc(S(C)(=O)=O)o1 1351033382 QYZDKBFRRHYBIT-UHFFFAOYSA-N 291.354 -0.236 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cnc(C(=O)O)cn1 1589074526 AOPCTVCEWKWNQD-ZCFIWIBFSA-N 254.246 -0.868 50 20 CBGD C[C@@H]1C[C@H](C(=O)O)CN(CC(=O)NNC(=O)C2CC2)C1 1589278445 FRWGEEBVBZFFCG-SCZZXKLOSA-N 283.328 -0.414 50 20 CBGD CN(NC(=O)c1coc(-c2nn[nH]n2)c1)C(N)=O 1591154038 CSPOTIHEPVRUNG-UHFFFAOYSA-N 251.206 -0.885 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@@]2(C(=O)O)CCCO2)n1 1594387973 PADCESUTQMEBFM-CYBMUJFWSA-N 293.279 -0.215 50 20 CBGD O=C1N[C@H](C(=O)NNc2cccc(C(=O)O)c2)CO1 1602659973 ZRNCEMZRSZOHHJ-QMMMGPOBSA-N 265.225 -0.064 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc(F)c(C(=O)O)c1C 1603052096 CVEUXZQZXDMHIL-UHFFFAOYSA-N 297.242 -0.062 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)c2ccccn2)O[C@H]1C(=O)O 1607442755 OGLCQZBSDJQEOG-SZEHBUNVSA-N 293.279 -0.279 50 20 CBGD Cc1cc(NNC(=O)[C@@H]2CN(C)CCO2)nc(C)n1 85539020 VIZVSFLXYJNTMT-JTQLQIEISA-N 265.317 -0.133 50 20 CBGD O=C(CN1CCCC[C@@H]1CCO)NNC(=O)C1CC1 112981764 BEDDQWGQGOGRSN-LLVKDONJSA-N 269.345 -0.219 50 20 CBGD CC(C)CCC(=O)NCC(=O)NNC(=O)Cc1cc[nH]n1 186144319 SNASBFFPSZQJSF-UHFFFAOYSA-N 295.343 -0.348 50 20 CBGD NC(=O)[C@H]1CC[C@H](CNC(=O)NNc2cccc(F)n2)O1 287049183 MTNBHOUUFRGVSS-HTQZYQBOSA-N 297.290 -0.120 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ccc(C#N)[nH]2)CC1 287725318 GLMLAKRFANZJNS-UHFFFAOYSA-N 276.300 -0.512 50 20 CBGD O=C(CC1CC1)NNC(=O)c1cnc2c(c1)NC(=O)CO2 294230503 RMTNWRRILFDQFC-UHFFFAOYSA-N 290.279 -0.026 50 20 CBGD COC(=O)NCCC(=O)NNc1nc(C)cc(OC)n1 492944056 LDURNXACAAZRQT-UHFFFAOYSA-N 283.288 -0.017 50 20 CBGD COC(=O)NNC(=O)Nc1cnc(OC)c(C(N)=O)c1 493282841 BSENASJCVJNEKE-UHFFFAOYSA-N 283.244 -0.418 50 20 CBGD CC(C)OCCCNC(=O)c1cccc(B(O)O)c1 584923581 AATAXTNKSSEMIV-UHFFFAOYSA-N 265.118 -0.089 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H]([C@H]2CCOC2)C1 584965091 LHNAZQOILSZUFM-OLZOCXBDSA-N 289.140 -0.135 50 20 CBGD CN(C[C@H]1CCC[C@@H]1O)C(=O)c1ccc(B(O)O)cc1 584967628 YMUVECQPPVVPRX-YPMHNXCESA-N 277.129 -0.401 50 20 CBGD C[C@H](O)C[C@@H](C)CNCc1ccccc1B(O)O 585024984 JBGHONZFKZSBEQ-MNOVXSKESA-N 251.135 -0.137 50 20 CBGD C[C@H](CC[S@](C)=O)NCc1ccccc1B(O)O 585029554 ATKKHEQBBYTPOR-MGNBDDOMSA-N 269.175 -0.387 50 20 CBGD CC[C@@](C)(CNCc1ccc(B(O)O)o1)[C@H](C)O 585031220 ATQQGBHXLGXJBX-CABZTGNLSA-N 255.123 -0.154 50 20 CBGD OB(O)c1ccc(-c2noc([C@@]34COC[C@@H]3C4)n2)cc1 585051456 HGTSSINSRRVEDG-ZANVPECISA-N 272.069 -0.296 50 20 CBGD COc1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cn1 585055753 DXKAFEGMMJAVNA-MRVPVSSYSA-N 286.118 -0.672 50 20 CBGD COc1ccc(C)cc1S(=O)(=O)NCB(O)O 585056176 PZCRCTALBGMDBW-UHFFFAOYSA-N 259.092 -0.706 50 20 CBGD CCCCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 728363491 KRYWTGZAHJPESK-MRVPVSSYSA-N 262.331 -0.241 50 20 CBGD O=C(NNC(=O)c1cnn[nH]1)c1csc([N+](=O)[O-])c1 729457300 BPBYUKVMQHWBRH-UHFFFAOYSA-N 282.241 -0.151 50 20 CBGD C[C@H]1COCCN1CCNC(=O)NNc1ncccn1 729615076 WRGSIIPYWJRCNF-JTQLQIEISA-N 280.332 -0.177 50 20 CBGD CN(C)C(=O)NNC(=O)CN1Cc2ccccc2C1=O 729968720 ZZZVCXTWYSJVPT-UHFFFAOYSA-N 276.296 -0.055 50 20 CBGD CCN1CCN(CC(=O)NNC(=O)C(C)(C)C)CC1=O 755298174 RSNVSINELRFPOY-UHFFFAOYSA-N 284.360 -0.656 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)NCC2CC2)C1=O 772422526 FWODCPSDWXVQCY-QMMMGPOBSA-N 254.290 -0.795 50 20 CBGD O=C(CO)NNC(=O)c1cc(O)nc2ccccc12 777782211 XRNSYSKAFRCPLT-UHFFFAOYSA-N 261.237 -0.306 50 20 CBGD CCCc1cc(C(=O)NNC(=O)N2CCN(C)CC2)n[nH]1 788166545 PPMLRSIGQABASG-UHFFFAOYSA-N 294.359 -0.036 50 20 CBGD Cc1cccnc1NNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 791211530 JZDMIJGLRJAXKV-UHFFFAOYSA-N 299.294 -0.082 50 20 CBGD CO[C@H](C(=O)NNC(=O)N1CCN(C)CC1)C(C)C 807383435 BUGQANLDMOWUHD-JTQLQIEISA-N 272.349 -0.354 50 20 CBGD COC(=O)c1cc(C=NNC(=O)N2CCN(C)CC2)on1 814913747 ULZHJDKRXFEZSH-UHFFFAOYSA-N 295.299 -0.248 50 20 CBGD CC(C)(C)[C@@H](Br)C(=O)NC[C@@H](O)C(N)=O 819525843 STQRIAVKOPNFTN-RITPCOANSA-N 281.150 -0.242 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccc(-n2cncn2)nc1 823976835 JXHNNXKVVIIFHJ-SECBINFHSA-N 276.300 -0.380 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H]1[C@@H](C)CCN[C@H]1C 842476883 VLQHFWJDMHMPSP-QFOLPQNPSA-N 270.377 -0.092 50 20 CBGD CNC(=S)N(C)NC(=O)c1n[nH]c(C)c1[N+](=O)[O-] 854926140 SPEXHMVNQPSYSH-UHFFFAOYSA-N 272.290 -0.293 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(N(C)C)CC1 855007022 SAKLCBYSJZSGCW-RKDXNWHRSA-N 255.318 -0.347 50 20 CBGD O=C(C[C@H]1CCCC[C@@H]1O)NNC(=O)[C@@H]1CCC(=O)N1 862458547 GKOPGSWRUJVAQW-UTLUCORTSA-N 283.328 -0.646 50 20 CBGD O=C(NO[C@H]1CCCCO1)c1cc(B(O)O)ccc1F 863872495 UEMSCPCQMICZDA-NSHDSACASA-N 283.064 -0.307 50 20 CBGD O=C(CNC(=O)c1ccc(B(O)O)cc1)OCC1CC1 863872755 ZLDAYWGJQATWGN-UHFFFAOYSA-N 277.085 -0.951 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)/C=C/COC 866027054 VDKXPKSOCRONPK-VOTSOKGWSA-N 271.317 -0.359 50 20 CBGD Cc1conc1C(=O)NNC(=O)N1CCN(C)CC1 868121753 NDYPDNAFRFZPJI-UHFFFAOYSA-N 267.289 -0.415 50 20 CBGD COCCOCC(=O)NNC(=O)c1cc(C)n(C)n1 869909223 NKUKGOSXWURIEE-UHFFFAOYSA-N 270.289 -0.847 50 20 CBGD CO[C@@H]1COC[C@@H]1NC(=O)NNC(=O)C1CCOCC1 883689653 QYGBBGLQTPHJBH-VHSXEESVSA-N 287.316 -0.843 50 20 CBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1cnnn1C 899143332 KJGMZSFFSTVRAZ-RNFRBKRXSA-N 253.262 -0.543 50 20 CBGD C=CC(=O)N(CC)CC(=O)NNC(=O)CC1CC1 908446362 AYNLINOKAKNFOZ-UHFFFAOYSA-N 253.302 -0.032 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cnc2c(c1)nnn2C 910152747 ULMDLHCJHMASAM-SSDOTTSWSA-N 264.289 -0.679 50 20 CBGD Cc1ccncc1C(=O)NNC(=O)CN1CCCC1=O 913731599 OGYPSTJUKCFUQX-UHFFFAOYSA-N 276.296 -0.227 50 20 CBGD Cc1cncc(C(=O)NNC(=O)CN2CCCC2=O)c1 913731877 ZPVJTNPVXGUNFD-UHFFFAOYSA-N 276.296 -0.227 50 20 CBGD COc1ccccc1NCC(=O)NNC(=O)c1cnn[nH]1 918319698 YWGYWGWIKKLPNN-UHFFFAOYSA-N 290.283 -0.314 50 20 CBGD CCS(=O)(=O)CC(=O)NNC(=O)CC(C)C 919684510 XHLUZJGZQHJRBI-UHFFFAOYSA-N 250.320 -0.385 50 20 CBGD CC[S@@](C)(=O)=NC(=O)c1cc(B(O)O)ccc1F 925863825 DWNNIJQKJGVQMC-GOSISDBHSA-N 273.094 -0.237 50 20 CBGD Cn1cc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)cn1 1115892677 GVBJZTZGGQPIMO-VIFPVBQESA-N 285.329 -0.760 50 20 CBGD CCn1nc(C(=O)NNC(=O)NCCCOC)ccc1=O 1116027973 JFIQAXKKGIWZNB-UHFFFAOYSA-N 297.315 -0.756 50 20 CBGD Cc1nnc(NNC(=O)[C@@H]2CCC(=O)C2)nc1O 1118285888 YIOYANBWCFRVRF-ZCFIWIBFSA-N 251.246 -0.302 50 20 CBGD CO[C@@H](C)CNC(=O)NNC(=O)c1ncccn1 1261640656 KHZCPNWDHNLSEB-ZETCQYMHSA-N 253.262 -0.545 50 20 CBGD Cc1nc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)[nH]c1C 1261653057 ZMQDHYODWFVRLA-SECBINFHSA-N 299.356 -0.153 50 20 CBGD COCc1nc(C(=O)NNc2ccnc(N(C)C)n2)no1 1320398049 PTPKESLUQKCWAE-UHFFFAOYSA-N 293.287 -0.171 50 20 CBGD O=C(CCO)NNC(=O)Nc1ccc(OC2COC2)cc1 1321591370 MJUUPIWKRGVSKD-UHFFFAOYSA-N 295.295 -0.001 50 20 CBGD NC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccc[nH]2)C1 1321783017 AZFIGWNQQXGHII-MRVPVSSYSA-N 279.300 -0.434 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)CN1CCCNC1=O 1322269312 DLMINBJLYKDYQH-UHFFFAOYSA-N 291.311 -0.813 50 20 CBGD CC(C)NC(=S)NNC(=O)c1ccc2nnc(O)n2c1 1323134014 FMEPTJYDHHBIEB-UHFFFAOYSA-N 294.340 -0.048 50 20 CBGD CC(C)(CCC#N)CNC(=O)NNC(=O)C(=O)NC1CC1 1323893811 AHXIIQRPGNNWII-UHFFFAOYSA-N 295.343 -0.075 50 20 CBGD COCCCNC(=O)NNC(=O)c1cnn2ccncc12 1324975405 IJCIXRGYZQPCEH-UHFFFAOYSA-N 292.299 -0.290 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cccc(O)n1 1325446265 VFMYUEYPTAHXCZ-UHFFFAOYSA-N 261.241 -0.106 50 20 CBGD Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](B(O)O)C1 1329291806 GSWAYQNSDBDDTB-MRVPVSSYSA-N 282.065 -0.825 50 20 CBGD CC(Cc1cnccn1)=NNC(=O)[C@H]1CCC(=O)N1 1331821914 QVVFJACFBDKFTK-SNVBAGLBSA-N 261.285 -0.210 50 20 CBGD C[C@H](C(=O)NNC(=O)CN1CCCC1=O)n1ccnc1 1333428851 BRRMHYDVPMJIOJ-SECBINFHSA-N 279.300 -0.786 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CSc1nncn1C 1335303229 HDOFMGQKPSOMMH-HTQZYQBOSA-N 299.356 -0.520 50 20 CBGD CNC(=O)NNC(=O)C(=O)Nc1cc(OC)ccc1OC 1338256102 IBRGKLSTPFFHOA-UHFFFAOYSA-N 296.283 -0.398 50 20 CBGD C[C@H](NC(=O)NNC(=O)CC(F)(F)F)c1nnnn1C 1346301414 AHGMOEUBVGJLJO-BYPYZUCNSA-N 295.225 -0.446 50 20 CBGD O=C(NNC(=O)c1cnn2c1OCCC2)NC1CC1 1347622180 KCPAGAMGHBKTMJ-UHFFFAOYSA-N 265.273 -0.228 50 20 CBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNc1ncncc1F 1348675810 ZSDKUGZSUDQFDL-PSASIEDQSA-N 280.307 -0.553 50 20 CBGD CCCNNC(=O)CNS(=O)(=O)CCOC(C)C 1577574615 JDLUKBBQEANGCO-UHFFFAOYSA-N 281.378 -0.638 50 20 CBGD CNC(=O)NNC(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 1578556893 BPPXWPQIJVSXEE-VIFPVBQESA-N 291.311 -0.528 50 20 CBGD CNC(=O)NNC(=O)[C@H]1NCCc2cc(C#N)ccc21 1578557144 DXBGOWCGVHOCRB-NSHDSACASA-N 273.296 -0.295 50 20 CBGD C[C@@H]1[C@H](C(=O)NNC(=O)[C@@H]2CCCNC2)CCN1C 1579471573 QHWHIIWOGLFTPQ-GMTAPVOTSA-N 268.361 -0.526 50 20 CBGD Cc1cnc(C(=O)NNC(=O)[C@H]2CCN2)c(O)c1 1579819958 WFVGXYZMYDUHEA-SSDOTTSWSA-N 250.258 -0.781 50 20 CBGD O=C(NNc1ccccn1)c1cnnn1C1CNC1 1580740046 UJUGYFIFGBCOMB-UHFFFAOYSA-N 259.273 -0.426 50 20 CBGD O=C(NNC(=O)c1cc[nH]n1)c1ccc(-c2nn[nH]n2)nc1 1582561520 JCKHRICHYVNVAN-UHFFFAOYSA-N 299.254 -0.940 50 20 CBGD CCCCn1cc(CNC(=O)NNC(=O)C(=O)O)c(C)n1 1595804990 MBZAEPWAXXVAGQ-UHFFFAOYSA-N 297.315 -0.093 50 20 CBGD O=C(Cn1cc(C(=O)O)nn1)NNc1ncc(F)cc1F 1601381908 QKFIARKLZSHSHK-UHFFFAOYSA-N 298.209 -0.207 50 20 CBGD O=C(O)CC1CC(=NNC(=O)CN2CCCC2=O)C1 1601941453 SFLVWFCIRMGQHE-UHFFFAOYSA-N 267.285 -0.034 50 20 CBGD O=C(O)c1coc(C(=O)NNC(=O)[C@H]2CCCO2)c1 1602550537 IGWNXSPMPTWLLP-SSDOTTSWSA-N 268.225 -0.082 50 20 CBGD CC[C@H](CNC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)C(=O)O 1603562958 YGUISKOPZZJLTF-ZYUZMQFOSA-N 299.327 -0.005 50 20 CBGD CNC(=S)N(C)NC(=O)Cn1cc(C(=O)O)cn1 1606292009 DCCQGYPSZWUVJI-UHFFFAOYSA-N 271.302 -0.951 50 20 CBGD O=C(O)CCN1CCC(=NNC(=O)[C@H]2CCC(=O)N2)CC1 1608723122 HTJKOSJPWJYJEW-SNVBAGLBSA-N 296.327 -0.692 50 20 CBGD CCNC(=O)NNC(=O)CS[C@@H]1CCS(=O)(=O)C1 49165707 FBYLQFIJWJRKPT-SSDOTTSWSA-N 295.386 -0.743 50 20 CBGD CN(C)CC(=O)NNC(=O)CNC(=O)c1ccc(F)cc1 75653398 CHVUCYSKRDRYRB-UHFFFAOYSA-N 296.302 -0.736 50 20 CBGD CN(C)CC(=O)NNC(=O)Cc1cccc(OCC#N)c1 89814616 SBMSQUZGBNGXIR-UHFFFAOYSA-N 290.323 -0.160 50 20 CBGD O=C(CN1CC[C@H](N2CCCC2)C1)NNC(=O)C1CC1 112979718 RCGTYCDBQRCULN-LBPRGKRZSA-N 280.372 -0.286 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN(C)C(=O)C1 119393239 FZJKSPMCWLSYHX-JTQLQIEISA-N 284.360 -0.658 50 20 CBGD Cc1ccc(NNC(=O)N[C@@H](C)C(=O)N(C)C)nn1 171555692 OPNSSYLJRRPTMR-QMMMGPOBSA-N 266.305 -0.112 50 20 CBGD CC(C)(C)c1noc(CCCC(=O)NNC(=O)CO)n1 182756400 DZZUGAXOICISNY-UHFFFAOYSA-N 284.316 -0.171 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2CCCC(=O)N2)n1 270397137 UQCGWUQFSXILLS-MRVPVSSYSA-N 279.300 -0.095 50 20 CBGD C[C@@H](O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 270763371 NJMSNJHJSWHFSP-SSDOTTSWSA-N 266.253 -0.400 50 20 CBGD COC(=O)N(C)NC(=O)CCC(=O)N1CCOCC1 286381046 ODKYVRWGDJIXPB-UHFFFAOYSA-N 273.289 -0.645 50 20 CBGD CC(=O)NCC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1 298212917 XGOXLLCHFTUCJC-QMMMGPOBSA-N 297.286 -0.124 50 20 CBGD CCCS(=O)(=O)CC(=O)NNC(=O)c1ccc[nH]1 299113260 ZALJCNYMUBQSGF-UHFFFAOYSA-N 273.314 -0.400 50 20 CBGD CC(=O)N1CC[C@](C)(C(=O)NNC(=O)c2cc(C)[nH]n2)C1 366412609 CTZGDDVMCYRMSN-ZDUSSCGKSA-N 293.327 -0.262 50 20 CBGD Cn1ccnc(NNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1=O 368684327 ULPYVFODFNTFLL-LPEHRKFASA-N 278.312 0.039 50 20 CBGD C=CCNC(=S)NNC(=O)CCNC(=O)OC 494711317 OCEYBZIQNAZWNB-UHFFFAOYSA-N 260.319 -0.586 50 20 CBGD COC(=O)N(C)NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 495815516 ALSZKQYUCLKGGD-DTORHVGOSA-N 295.295 -0.333 50 20 CBGD COC(=O)N(C)NC(=O)c1ccc(C(N)=O)nc1 496847223 NWVQNCYRIVSOPY-UHFFFAOYSA-N 252.230 -0.477 50 20 CBGD C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)[C@H](C)CO1 584927245 DYNAWFVSIFFPGE-ZJUUUORDSA-N 263.102 -0.384 50 20 CBGD CC[C@H](C)[C@@H](O)CNC(=O)c1ccc(B(O)O)cc1 584961147 ZNDZBEXLZKAMHR-CABZTGNLSA-N 265.118 -0.497 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCOC2(CCC2)C1 584968006 GBGYFKZPECEIQV-UHFFFAOYSA-N 293.103 -0.099 50 20 CBGD CC1(C)CCCN1CCNC(=O)c1ccc(B(O)O)cc1 585000542 RDRGQGAGZFNBPG-UHFFFAOYSA-N 290.172 -0.029 50 20 CBGD CC(C)[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)CCN1 585010205 JUTBYQZUMHZNCO-ZDUSSCGKSA-N 276.145 -0.564 50 20 CBGD C[C@H](CNCc1ccc(B(O)O)o1)CN1CCOCC1 585025157 MWEOBTGEHBEQEP-LLVKDONJSA-N 282.149 -0.983 50 20 CBGD O=S(=O)(NCB(O)O)c1cc(F)c(F)c(F)c1 585054398 LAVBFARLCRWDJA-UHFFFAOYSA-N 269.009 -0.606 50 20 CBGD COCCNC(=O)NNC(=O)Cc1cccnc1 729041445 SGVQEGUGRHKOIN-UHFFFAOYSA-N 252.274 -0.399 50 20 CBGD COc1ncnc(OC)c1C(=O)NNC(=O)c1ccc[nH]1 732051943 DLZOEYBURPORJO-UHFFFAOYSA-N 291.267 -0.103 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)[C@@H]2CCC(=O)N2)n1 753453119 ZKUGFFZGHWKKNZ-BYPYZUCNSA-N 270.680 -0.566 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)c1ccccc1F 761135755 NZUFLQGIAASPFQ-UHFFFAOYSA-N 268.248 -0.484 50 20 CBGD N#Cc1ncn(CC(=O)NNC(=O)NC2CCCCC2)n1 769040072 KOIQCUMONDPXCT-UHFFFAOYSA-N 291.315 -0.187 50 20 CBGD Cc1cnccc1C(=O)NNC(=O)C(=O)N1CCCC1 771288183 BVWPGYQJYLYCEM-UHFFFAOYSA-N 276.296 -0.227 50 20 CBGD CCO[C@@H]1C[C@H]1C(=O)NNC(=O)N1CCN(C)CC1 773675355 ZKXXXMMCTHDKPJ-NXEZZACHSA-N 270.333 -0.600 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)C2(O)CCOCC2)n1 773860674 HTULBYUPPYVCJI-UHFFFAOYSA-N 287.707 -0.303 50 20 CBGD COC(=O)CNC(=O)NN=Cc1ccc(C(=O)N(C)C)[nH]1 779822238 BINLLPUVNAFGEP-UHFFFAOYSA-N 295.299 -0.477 50 20 CBGD CSCCNC(=S)NNC(=O)CC1OCCCO1 793766737 OLFJSNSRKHOUIU-UHFFFAOYSA-N 293.414 -0.002 50 20 CBGD C[C@H](NS(=O)(=O)CBr)C(=O)NCCF 800165594 VGKGBZAHZQHSSB-YFKPBYRVSA-N 291.142 -0.268 50 20 CBGD CSSCCNC(=O)NCC(=O)NCC#N 805472305 BXMKVYWVVZUYLQ-UHFFFAOYSA-N 262.360 -0.063 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)c1ccc[nH]1 806323803 ZSCOTHACBMRWJF-MRVPVSSYSA-N 250.258 -0.604 50 20 CBGD CN(C)N(C(=O)COC(F)F)[C@@H]1CCS(=O)(=O)C1 808024380 JJOHNMYTHVAKAD-SSDOTTSWSA-N 286.300 -0.282 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cnn2c1OCCC2 816006470 BJSOBGRNGPTCMR-UHFFFAOYSA-N 267.289 -0.028 50 20 CBGD COC(=O)NNC(=O)c1cc(-c2nn[nH]n2)cn1C 821664906 NKOOLMVLAGMACS-UHFFFAOYSA-N 265.233 -0.794 50 20 CBGD CCN(CCO)NC(=O)CCNC(=O)C(C)(C)C 823841880 MQEKWCZOMDMLPX-UHFFFAOYSA-N 259.350 -0.116 50 20 CBGD COCC1(C(=O)NN(C)[C@@H](C)CO)CCOCC1 823922951 NVNLUSHLXPTTLQ-JTQLQIEISA-N 260.334 -0.227 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CC(c2cccnc2)=NO1 823927888 IKGFHJGVZKIJAT-BXKDBHETSA-N 278.312 -0.082 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H](CCC)S(N)(=O)=O 823951024 NQPVLFHJULCKTN-SSDOTTSWSA-N 280.350 -0.816 50 20 CBGD COC(=O)NNC(=O)Nc1ccnc(OCCO)c1 825852481 VGIMJFPXCUMDKO-UHFFFAOYSA-N 270.245 -0.155 50 20 CBGD O=C(O)NNC(=O)Nc1cnn(-c2ncccn2)c1 833280240 CSFUNWQOURVNTG-UHFFFAOYSA-N 263.217 -0.034 50 20 CBGD C[C@H]1CC(=NNC(=O)CSc2nnc(O)nc2O)CO1 842525688 UGYLJDZCIMURJR-YFKPBYRVSA-N 299.312 -0.344 50 20 CBGD Nc1nccc(C(=O)NNC(=O)NC2CC2)c1[N+](=O)[O-] 847390427 HRFAYBRQYZGTSE-UHFFFAOYSA-N 280.244 -0.322 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H]1CC[C@H]1C(N)=O 847644062 KBAJLDOYTXKSHL-RNFRBKRXSA-N 290.414 -0.644 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)Cc1cnc[nH]1 852287134 AUDAQNMEQDBRLY-UHFFFAOYSA-N 251.290 -0.601 50 20 CBGD C=CC(=O)N(C)CC(=O)NNC(=O)c1cccn1C 858166111 ZRIJDUQAMIIUMW-UHFFFAOYSA-N 264.285 -0.570 50 20 CBGD Cc1nnc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 860284503 YNXLQVGHMXHZDJ-YFKPBYRVSA-N 284.301 -0.722 50 20 CBGD CC1(CCNCc2cccc(B(O)O)c2)OCCO1 863891309 MAXPNFRIAUXRTO-UHFFFAOYSA-N 265.118 -0.391 50 20 CBGD COC(=O)c1ccnc(N2CC[C@H](B(O)O)C2)c1[N+](=O)[O-] 864234629 YBJBIIQDKASYTM-ZETCQYMHSA-N 295.060 -0.171 50 20 CBGD CCc1nn(C)cc1S(=O)(=O)NNC(=O)N(C)C 882686006 LQSDSYPMUYRXEV-UHFFFAOYSA-N 275.334 -0.553 50 20 CBGD CC(C)c1nccnc1NNC(=O)[C@@H]1OCCN(C)C1=O 907782501 IALVYTLZJZJUAB-JTQLQIEISA-N 293.327 -0.100 50 20 CBGD COc1ccc(NC(=O)C(=O)NNC(C)=O)cc1F 1116618266 OZCPSLDKTYWNDF-UHFFFAOYSA-N 269.232 -0.060 50 20 CBGD CN(C)c1nccc(NNC(=O)c2ncnn2C)n1 1118536390 NPTXMJWCJMMITF-UHFFFAOYSA-N 262.277 -0.572 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)C1CC(F)(F)C1 1119599377 HZXFFJZKORYXQV-UHFFFAOYSA-N 275.255 -0.199 50 20 CBGD Cn1nnc(CNC(=O)[C@]2(C)C[C@H]2Br)n1 1119633484 NSXYBWYXIUBRSB-SVGQVSJJSA-N 274.122 0.000 50 20 CBGD COC(=O)C(=O)NN=C1CCN(c2cnccn2)CC1 1252511293 LQTSTVTVUISXLO-UHFFFAOYSA-N 277.284 -0.278 50 20 CBGD NC(=O)c1cc(CNC(=O)NNC(=O)C2CCCC2)on1 1255745903 AIVDHOWRHQHYIL-UHFFFAOYSA-N 295.299 -0.206 50 20 CBGD Cc1nc(C)c(CC(=O)NNC(=O)c2cn[nH]c2)c(O)n1 1261841763 CAONRCFMXHZTMN-UHFFFAOYSA-N 290.283 -0.474 50 20 CBGD O=C(NNS(=O)(=O)C[C@@H]1CCCO1)c1cnccn1 1318359625 OHXXYRWVSWVHAX-QMMMGPOBSA-N 286.313 -0.780 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccn(C)c(=O)c2)cn1 1318914600 IQACWZHTGVCNBG-UHFFFAOYSA-N 275.268 -0.806 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@H]2CCCO2)nn1 1319075816 CGOGAINWYQZOTN-SSDOTTSWSA-N 251.246 -0.802 50 20 CBGD Cc1cc(C(=O)NNC(=S)NC2CCN(C)CC2)n[nH]1 1319372857 MAEZYNNZVCTTMY-UHFFFAOYSA-N 296.400 -0.079 50 20 CBGD COC(=O)C(=O)NN=Cc1cccn1[C@@H](C)C(=O)OC 1319909548 IWOXBJYMPLZMSX-QMMMGPOBSA-N 281.268 -0.155 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(C(C)C)on1 1320520889 IEJXCUZBQNTLJP-UHFFFAOYSA-N 298.299 -0.080 50 20 CBGD COC(=O)NCCCC(=O)NNc1ccn(C)n1 1320948473 GJPHOEQGTVAHQO-UHFFFAOYSA-N 255.278 -0.001 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CC1(Cl)Cl 1322253723 NGNRQRMBZCIBLV-SCSAIBSYSA-N 284.099 -0.316 50 20 CBGD CCc1nn(C)cc1C(=O)NNc1ccc(C(N)=O)nn1 1324803231 OGKJCUVOYXIDOW-UHFFFAOYSA-N 289.299 -0.372 50 20 CBGD C[C@@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)C(=O)N(C)C 1326279128 JUUQLLULADPXEP-HLTSFMKQSA-N 286.332 -0.782 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1nnc(C)s1 1328407125 JFTBHUNKPJKTGS-UHFFFAOYSA-N 299.356 -0.088 50 20 CBGD CC(C)N1CC[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)C1=O 1329735436 NMGLSGGVHIDJLT-SECBINFHSA-N 294.315 -0.637 50 20 CBGD Cc1nonc1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1330175757 KIDOQZKAUCSUOH-QMMMGPOBSA-N 288.329 -0.516 50 20 CBGD C[C@@H](CO)N(C)NC(=O)Cn1ncc2ccccc2c1=O 1330262311 SWRJBCFRPNHAIO-JTQLQIEISA-N 290.323 -0.260 50 20 CBGD CN1CCC[C@H](NC(=O)NNC(=O)C2CCOCC2)C1=O 1330829648 ASXGBOSJENMMIA-JTQLQIEISA-N 298.343 -0.636 50 20 CBGD Cc1ncccc1CC(=O)NNC(=O)CS(C)(=O)=O 1331736697 PAJFWMMKTADRET-UHFFFAOYSA-N 285.325 -0.875 50 20 CBGD O=C(COc1cccnc1)N1CC[C@@H](B(O)O)C1 1331827317 PQMIASONBOTDMA-SECBINFHSA-N 250.063 -0.464 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)c1cnn(C)c1)C(=O)O 1332944484 CJHGMSYBUDZIOY-LURJTMIESA-N 269.261 -0.915 50 20 CBGD O=C(CN1CCSC1=O)NNC(=O)C1CCOCC1 1333680473 VZEPGXJSIFFBTN-UHFFFAOYSA-N 287.341 -0.271 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CCCN(C(N)=O)C1 1334438838 CVJWAYWHBBBGDW-SSDOTTSWSA-N 273.362 -0.756 50 20 CBGD O=C(C[C@@H]1CCCOC1)NNC(=O)CN1CCCC1=O 1335091162 XPZBOQXKAJCDAN-JTQLQIEISA-N 283.328 -0.427 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CN1CCC(CO)CC1 1357261636 KQYQZKDEOPCNPC-UHFFFAOYSA-N 294.355 -0.510 50 20 CBGD COc1ccc(NNC(=O)[C@H]2CN3CCN2C[C@H]3C)nc1 1521364571 ISYOZUAXYGNQHI-ZYHUDNBSSA-N 291.355 -0.078 50 20 CBGD C[C@@H]1COCC1=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 1550191839 IKTRBKPPZQOWHH-FOGDFJRCSA-N 267.329 -0.012 50 20 CBGD Cn1nccc1[C@H]1OCCC[C@@H]1C=NNC(=O)CO 1552450287 VEPFYERNCPBPST-SKDRFNHKSA-N 266.301 -0.018 50 20 CBGD Cc1cncc(CCC(=O)NNC(=O)[C@@H]2CCN2)c1 1579825241 WDYQWNNWXNTXNI-NSHDSACASA-N 262.313 -0.168 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CC[C@@H](N)CC2)nn1 1579953037 FGPFJIBFUYLNJZ-OCAPTIKFSA-N 266.305 -0.906 50 20 CBGD CC(=NNC(=O)[C@H]1CCO[C@H]1C)c1cn(CC(=O)O)nn1 1589010574 CGMAHYRNQMEMSR-IUCAKERBSA-N 295.299 -0.372 50 20 CBGD Cc1coc(CC(=O)O)c1C(=O)NN(C)C(N)=O 1600641561 KMVCKXGFKHUUDY-UHFFFAOYSA-N 255.230 -0.130 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cn(C)nn2)oc1C(=O)O 1607579788 HNYBMZZWNUEEHT-UHFFFAOYSA-N 293.239 -0.510 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)N2CCO[C@H](C(=O)O)C2)cn1 1608108910 FXRXCLORKCXCBL-FGUAACIASA-N 290.279 -0.361 50 20 CBGD NCC(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2 1842878609 VHDLIDXJUATRSQ-UHFFFAOYSA-N 280.155 -0.048 50 20 CBGD CC(=O)NNC(=O)CSc1nnnn1C1CC1 48396220 PSSCZFMZECCXIO-UHFFFAOYSA-N 256.291 -0.733 50 20 CBGD CNC(=O)NNC(=O)COc1ccc(C#N)cc1OC 48949877 PLCBTHMYBQYLNW-UHFFFAOYSA-N 278.268 -0.094 50 20 CBGD C[C@@H]1C[C@@H]1C(=O)NNC(=O)CNC(=O)c1ccco1 156890768 FOKPIEWOUCQUFU-SFYZADRCSA-N 265.269 -0.187 50 20 CBGD CCN(CC)c1ccnc(NNC(=O)CNC(C)=O)n1 177664870 PFKNNVDVSAESLY-UHFFFAOYSA-N 280.332 -0.098 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1nccn2ccnc12 278038980 VJJDBXQISYVHCG-UHFFFAOYSA-N 263.257 -0.739 50 20 CBGD CC(=O)NCCN(C)S(=O)(=O)CBr 308161313 WXUYPKFLROOVNM-UHFFFAOYSA-N 273.152 -0.264 50 20 CBGD O=S(=O)(CCCCl)N1C[C@@H](CO)[C@@H](O)C1 316434442 UENPOAJDLBKKSH-YUMQZZPRSA-N 257.739 -0.770 50 20 CBGD CN1CCC[C@H](N(C)C(=O)c2cc(B(O)O)ccc2F)C1 584952771 WRJJXCOIMNVUCW-NSHDSACASA-N 294.135 -0.328 50 20 CBGD CCO[C@@H](C)CNC(=O)c1cc(B(O)O)ccc1F 584953929 ZKEAXKIWKJBKMR-QMMMGPOBSA-N 269.081 -0.340 50 20 CBGD O=C(N[C@@H]1CCOC1)c1ccc(B(O)O)c(F)c1 584965099 LLZKLCHUKHLYEU-MRVPVSSYSA-N 253.038 -0.976 50 20 CBGD O=C(NC1CC(F)(F)C1)c1ccc(B(O)O)cc1 584983006 OJYPHWNPFKAUEV-UHFFFAOYSA-N 255.029 -0.106 50 20 CBGD C=CC[C@H](CO)NC(=O)c1ccc(B(O)O)c(F)c1 584985626 OXVPSUQPLXJBEW-SECBINFHSA-N 267.065 -0.828 50 20 CBGD CC(C)NC(=O)C[C@@H](C)NCc1ccc(B(O)O)o1 585023954 RGJHNUKZTUYVES-SECBINFHSA-N 268.122 -0.648 50 20 CBGD CO[C@H]1CCC[C@H]1CNCc1ccc(B(O)O)o1 585034214 KDQKIXOKKVNCIA-ONGXEEELSA-N 253.107 -0.136 50 20 CBGD C[C@H]1NC(=O)CC[C@H]1NCc1ccc(B(O)O)cc1F 585042420 PYDKQBQNSCFWOT-PRHODGIISA-N 280.108 -0.738 50 20 CBGD O=C(NCB(O)O)c1cccc2c1OCCCO2 585062225 DLUSTYLSXMXRJB-UHFFFAOYSA-N 251.047 -0.410 50 20 CBGD Cn1cc(C(=O)NCB(O)O)c(-c2ccccc2)n1 585062349 GDILEFLKPLWONK-UHFFFAOYSA-N 259.074 -0.171 50 20 CBGD CC1CCN(C(=O)C(=O)N2CC[C@@H](B(O)O)C2)CC1 585063961 AHBWGLOYCZGUCL-SNVBAGLBSA-N 268.122 -0.680 50 20 CBGD O=C(CNC(=O)c1cccs1)NNC(=O)c1cnc[nH]1 725902817 ULVCJAYIWRXKOK-UHFFFAOYSA-N 293.308 -0.338 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)N1 729843034 VMFMQIAJUJMNGH-KOLCDFICSA-N 289.291 -0.584 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)COc1ccccc1O 730781484 ONCKKCANIIHFGN-QMMMGPOBSA-N 295.295 -0.557 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@@H](C)Cn1cccn1 732201957 RREZGZAZPQCBGO-VHSXEESVSA-N 267.333 -0.193 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C)n1cncn1 740851785 VYURRTLAPTXQJP-MRVPVSSYSA-N 296.331 -0.709 50 20 CBGD C[C@H]1OCCC1=NNC(=O)[C@H]1CCS(=O)(=O)C1 747752067 UXKBDESNWALZKZ-SFYZADRCSA-N 260.315 -0.298 50 20 CBGD C[C@@H]1[C@@H](C)N(CC(=O)NNC(=O)C2CC2)CCN1C 771465732 DCGLZAIIAWXVRA-NXEZZACHSA-N 268.361 -0.432 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](CC)OC 772064510 NPDNIGDGOJLPJZ-YUMQZZPRSA-N 260.290 -0.100 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCN(C)C2=O)c(O)c1 776124192 SYSXIYKSTOJNSZ-JTQLQIEISA-N 291.307 -0.060 50 20 CBGD CCNC(=O)NNC(=O)[C@@H](O)Cc1cccc(OC)c1 785409447 BMHFXFWMNAXNSG-NSHDSACASA-N 281.312 -0.051 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1coc(C)n1 789004610 VLVLKARVWSIUHP-SSDOTTSWSA-N 288.329 -0.239 50 20 CBGD COc1ccccc1C(=O)NNC(=O)c1cnnn1C 798433975 GFTZMODNAHZZPV-UHFFFAOYSA-N 275.268 -0.102 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@H]2CCC(=O)N2C)n1 806902306 ULAUQXPHCCMZSU-MRVPVSSYSA-N 278.316 -0.394 50 20 CBGD O=C(N=c1cc[nH]cc1)NN=C1CCS(=O)(=O)C1 815001217 ZQXXCHNHYRIOHJ-UHFFFAOYSA-N 268.298 -0.201 50 20 CBGD C[C@H](C(=O)O)N(C)CC(=O)NNC(=O)C(C)(C)C 817772200 KOQLBVHSPVODRJ-SSDOTTSWSA-N 259.306 -0.415 50 20 CBGD COc1ccnc(NNC(=O)NCC2(CC(N)=O)CC2)n1 817787563 REFDMIIAUWXFEV-UHFFFAOYSA-N 294.315 -0.233 50 20 CBGD C[C@@H](CO)N(C)NC(=O)/C=C/CN1CCOCC1 823922429 KRIFHPYOCMFOCG-UFFNRZRYSA-N 257.334 -0.781 50 20 CBGD COc1ccc(CC(=O)NN(C)[C@@H](C)CO)nc1 823928660 PWHCGPVYONYAJH-VIFPVBQESA-N 253.302 -0.024 50 20 CBGD O=C(NNC(=O)C1CC1)c1ccc(-c2nn[nH]n2)[nH]1 826444504 JOHXMXXTQYHSRF-UHFFFAOYSA-N 261.245 -0.634 50 20 CBGD CCC(=O)NNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C 831920673 RZUPXEDUORTERS-UHFFFAOYSA-N 297.336 -0.075 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(=O)n1C 843659016 GYXUUTVMBFFCIV-IUCAKERBSA-N 279.296 -0.429 50 20 CBGD Cc1c[nH]cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1=O 843978967 LFTDDLXSQSHEAH-IUCAKERBSA-N 279.296 -0.131 50 20 CBGD N#Cc1cccc(NNC(=O)[C@@H]2CCS(=O)(=O)N2)c1 845855349 PHLAHNMCJNVYKI-JTQLQIEISA-N 280.309 -0.307 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(c2ncc[nH]2)CC1 846876584 BFISLUGTEBROHZ-JTQLQIEISA-N 294.359 -0.522 50 20 CBGD C=C[C@H](CO)NCC(=O)NNC(=O)Cc1ccccc1C 852714486 RTPSCNPBLDYJOG-CYBMUJFWSA-N 291.351 -0.179 50 20 CBGD COC(=O)CNC(=O)NN=Cc1nc(C)c(C)[nH]1 853331218 KXQFBHQQQDOPTI-UHFFFAOYSA-N 253.262 -0.167 50 20 CBGD CCC[C@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 858698328 ZBRGFKRFMLHZDF-UWVGGRQHSA-N 298.343 -0.493 50 20 CBGD COc1cccnc1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 860912662 VYZICCIYKQNSQN-ZETCQYMHSA-N 293.283 -0.479 50 20 CBGD COC(=O)C(C)(C)CNCc1ccc(B(O)O)cc1 863888610 IAHPOVWPBRGTIB-UHFFFAOYSA-N 265.118 -0.345 50 20 CBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)C2CCC2)C(=O)O1 896346287 WBOOGQCFSNUHMT-SVRRBLITSA-N 255.274 -0.179 50 20 CBGD CC(=O)NNC(=O)CN1C(=O)NC2(CCCC2)C1=O 913173193 ZAOGHOSDJYQHGX-UHFFFAOYSA-N 268.273 -0.982 50 20 CBGD O=C(CCCn1cncn1)NNC(=O)c1ccncc1 917390411 PZLXWFJPMHZWLE-UHFFFAOYSA-N 274.284 -0.086 50 20 CBGD CN1CC[C@H]1CNC(=O)NNC(=O)c1cccc(F)n1 925434164 IASVTIDUFRVYPE-QMMMGPOBSA-N 281.291 -0.131 50 20 CBGD Cc1sc(=O)n(CC(=O)NN(C)[C@H](C)CO)c1C 1119104823 MZXFABNYKVZLLK-SSDOTTSWSA-N 273.358 -0.130 50 20 CBGD Cc1nn(CC(F)F)c(C)c1C(=O)NNC(=O)CO 1254806204 BXBNFQQCCLZWMJ-UHFFFAOYSA-N 276.243 -0.482 50 20 CBGD Cc1ccc(C)c(NC(=O)C(=O)NNC(=O)CCO)c1 1254905928 WBADHQXZDSPDFS-UHFFFAOYSA-N 279.296 -0.228 50 20 CBGD CNC(=O)NNC(=O)CC1CCN(S(C)(=O)=O)CC1 1261547592 PWNWHTVSIGJJEY-UHFFFAOYSA-N 292.361 -0.992 50 20 CBGD CCN1C[C@H](C(=O)NNC(=S)NC(C)C)CC1=O 1317824776 LCHNTTNCNGFSMJ-MRVPVSSYSA-N 272.374 -0.242 50 20 CBGD CC(C)NC(=S)NNC(=O)Cn1cnc([N+](=O)[O-])n1 1323786414 WGCCOSMCYIFJOR-UHFFFAOYSA-N 287.305 -0.910 50 20 CBGD CCc1onc(C)c1NC(=O)C(=O)NNC(=O)COC 1325519434 IVJHYSPPKNJYOZ-UHFFFAOYSA-N 284.272 -0.722 50 20 CBGD O=C1C[C@@H](C(=O)NNC(=O)NCC(F)(F)F)CCN1 1326979065 REFDFFQMOPJJBH-YFKPBYRVSA-N 282.222 -0.595 50 20 CBGD C#CCN(CC1CC1)C(=O)c1cc(B(O)O)ccc1F 1329640461 ZQOJKCGJFFTDRF-UHFFFAOYSA-N 275.088 -0.009 50 20 CBGD Cc1cc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)n[nH]1 1330175668 JESDQAVOLVJXKA-SECBINFHSA-N 286.357 -0.176 50 20 CBGD CN1CCC(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 1331804487 XAZZDEISKRFXSZ-SNVBAGLBSA-N 282.344 -0.856 50 20 CBGD COC(OC)C(=O)NNC(=O)Cc1cccnc1 1335994423 TVVJRCRXUYXAAC-UHFFFAOYSA-N 253.258 -0.610 50 20 CBGD CS(=O)(=O)c1ccc(NNC(=O)CC2(N)COC2)cc1 1579351266 GEOOLXGXJGKNEJ-UHFFFAOYSA-N 299.352 -0.349 50 20 CBGD NC1(C(=O)NNC(=O)c2cccnn2)Cc2ccccc2C1 1580139263 FAMGATMORXQNBH-UHFFFAOYSA-N 297.318 -0.266 50 20 CBGD NCC1(C(=O)NNC(=O)Cc2ccccc2O)CC(O)C1 1580236026 NFHJAXMGBHUATO-UHFFFAOYSA-N 293.323 -0.818 50 20 CBGD NCCCCCC(=O)NNC(=O)[C@H]1CCC[C@H](C(N)=O)C1 1580292624 GUOMNFZFUHJDCK-QWRGUYRKSA-N 298.387 -0.055 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@H](C)[C@H](C(=O)O)C1 1588799505 MCZJSTDJOHKMAU-VHSXEESVSA-N 285.344 -0.168 50 20 CBGD COCCCNC(=S)N(C)NC(=O)CCC(=O)O 1593994928 ZWWKKSMXHXRCPN-UHFFFAOYSA-N 277.346 -0.275 50 20 CBGD Cc1cc(NNC(=O)[C@]2(C(=O)O)CCCO2)nc(N)n1 1594325147 CHSKSZFFJBQCKS-NSHDSACASA-N 281.272 -0.556 50 20 CBGD CN(C)C(=O)NNC(=O)c1cc(C(=O)O)ccn1 1598140466 SXKBMWPVRSPYNW-UHFFFAOYSA-N 252.230 -0.304 50 20 CBGD CO[C@@H](CNC(=O)NNC(=O)C(=O)O)CC(C)C 1599050038 QRYHXXKLERYWRK-SSDOTTSWSA-N 261.278 -0.538 50 20 CBGD Cn1cc(C(=O)NNC(=O)C2(C(=O)O)CCCCC2)nn1 1605481356 UIDZTCZKHHNAJJ-UHFFFAOYSA-N 295.299 -0.389 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1CCCO1 49376721 ULRKXUKUEFVAQF-QMMMGPOBSA-N 287.316 -0.163 50 20 CBGD Nc1nccnc1C(=O)NNC(=O)CNc1ccccc1 73302605 YEQLQKZQMDMMKY-UHFFFAOYSA-N 286.295 -0.068 50 20 CBGD CN(C)CC(=O)NNC(=O)CNC(=O)CC(C)(C)C 113425186 DEKVETKENVIGOD-UHFFFAOYSA-N 272.349 -0.752 50 20 CBGD O=C(NNC(=S)NC1CC1)N[C@@H]1CCS(=O)(=O)C1 138956721 OVTMLEDNOYKXSV-SSDOTTSWSA-N 292.386 -0.986 50 20 CBGD COC(=O)[C@H]1COCCN1S(=O)(=O)CCl 159757223 BWJXPRQOWDIMDW-ZCFIWIBFSA-N 257.695 -0.614 50 20 CBGD Cc1ccn(C)c1C(=O)NNC(=O)C(=O)N1CCCC1 189503990 GRZFCPPTIMZVPU-UHFFFAOYSA-N 278.312 -0.283 50 20 CBGD CN(C)C(=O)NNC(=O)CNC(=O)c1ccccc1 194507695 XRVRZMNLJSDAEW-UHFFFAOYSA-N 264.285 -0.281 50 20 CBGD CC(C)(O)C(=O)NNC(=O)Cc1ccc(O)cc1 278006023 RFKKTKUOCOKXEQ-UHFFFAOYSA-N 252.270 -0.147 50 20 CBGD CC(C)(C)[C@H](NC(N)=O)C(=O)NNC(=O)c1ccc[nH]1 282787289 WGLXJLJVZOEGFJ-MRVPVSSYSA-N 281.316 -0.141 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1OC[C@H]2COCC[C@H]21 290789172 SRVICONZKBOLBX-OPRDCNLKSA-N 294.311 -0.020 50 20 CBGD CO[C@H]1COC[C@@H]1NC(=O)NNc1cccnn1 291326826 VUWMQLNIYCZYRZ-YUMQZZPRSA-N 253.262 -0.484 50 20 CBGD CNC(=O)[C@H](C)NC(=O)NNC(=O)c1ccccc1 292353967 DZKAIMBCBDTEQV-QMMMGPOBSA-N 264.285 -0.235 50 20 CBGD Cc1nn(C)c(C)c1CC(=O)Nc1cccc(B(O)O)c1 404971322 PUIZIASOISMEID-UHFFFAOYSA-N 287.128 -0.102 50 20 CBGD CN1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)CC1=O 491163033 VDMUSUVHJWYXIO-VZUCSPMQSA-N 273.296 -0.372 50 20 CBGD COC(=O)N(C)NC(=O)c1cnc2c(c1)nnn2C 496805337 USODTBUXYUUIIU-UHFFFAOYSA-N 264.245 -0.294 50 20 CBGD CN(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1 584959865 GZKXWSJVCNQLAU-ZIAGYGMSSA-N 290.172 -0.031 50 20 CBGD O=C(NC[C@@H](O)C1CC1)c1cc(B(O)O)ccc1F 584961945 CLQXYDGKUHHVTA-LLVKDONJSA-N 267.065 -0.994 50 20 CBGD COCC1=CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584977829 RUCPWPNEHYWRDW-UHFFFAOYSA-N 293.103 -0.076 50 20 CBGD C[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1CO 584978885 FKWROVRMTAJSDP-CABZTGNLSA-N 263.102 -0.791 50 20 CBGD C[C@@H]1CC[C@H](CNC(=O)c2cc(B(O)O)ccc2F)O1 584998971 UIRJNULIEVIOLS-PSASIEDQSA-N 281.092 -0.197 50 20 CBGD C[C@@H](CCS(C)(=O)=O)NCc1cccc(B(O)O)c1 585031692 XHSIEPZTEMMXHU-JTQLQIEISA-N 285.174 -0.721 50 20 CBGD Cc1nc(CNCc2ccc(B(O)O)cc2F)n[nH]1 585032643 KNSRTZKIIACMRY-UHFFFAOYSA-N 264.069 -0.778 50 20 CBGD O=C(O)c1cc(S(=O)(=O)NCB(O)O)ccc1Cl 585056368 TZLNOLXVXLANNA-UHFFFAOYSA-N 293.493 -0.672 50 20 CBGD O=S(=O)(NCB(O)O)c1cccc(Cl)c1O 585057160 OARYBJQPHMEXGD-UHFFFAOYSA-N 265.483 -0.664 50 20 CBGD O=C(NNC(=O)C1(C(=O)NC2CC2)CCC1)C1CC1 729297158 XIYJDQABHZNSMA-UHFFFAOYSA-N 265.313 -0.007 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])n1C 733360694 CBNMJRFUWSZILX-UHFFFAOYSA-N 269.261 -0.744 50 20 CBGD CSCCNC(=O)NNC(=O)c1cnn(C)c1 735511098 CXUOXYKXXZZHDA-UHFFFAOYSA-N 257.319 -0.273 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNc1ccnc(N(C)C)n1 740103250 YCIBCNCYWMWRGI-ZETCQYMHSA-N 266.305 -0.490 50 20 CBGD CN(C)C(=O)NNC(=O)CCn1cc([N+](=O)[O-])cn1 746014256 AAICSVQZGJZDAW-UHFFFAOYSA-N 270.249 -0.516 50 20 CBGD C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CO 753438933 UQHBHLCLLNZBTI-MRVPVSSYSA-N 263.253 -0.535 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C[C@@](C)(O)C1CC1 755921666 TUYRDALVNUUMHL-CQSZACIVSA-N 299.371 -0.010 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)c2cccc(C#N)c2)C1=O 772850118 BSEPCAAXDAZDJR-NSHDSACASA-N 286.291 -0.202 50 20 CBGD O=C(CO)NNC(=O)c1c[nH]nc1-c1ccoc1 790918767 COSMVTQFAVLXIA-UHFFFAOYSA-N 250.214 -0.577 50 20 CBGD CCCNC(=O)NNC(=O)c1cc([N+](=O)[O-])n[nH]1 795624566 HGBGWQHUJXOISM-UHFFFAOYSA-N 256.222 -0.328 50 20 CBGD Cc1cc(C(=O)NNC(=O)Cc2cncn2C)n[nH]1 807085033 RILZZWLPVLUYDA-UHFFFAOYSA-N 262.273 -0.545 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)n1 816860516 OBDMNGPFQBUVPH-NKWVEPMBSA-N 265.273 -0.560 50 20 CBGD COC(=O)c1cn(CC(=O)NNc2ncncc2F)nn1 817079934 PLTCTIAELJYJRD-UHFFFAOYSA-N 295.234 -0.863 50 20 CBGD CN1N=C(C(=O)NNC(=O)CC2CC2)CCC1=O 819109841 LWQSUPUBBIJOHS-UHFFFAOYSA-N 252.274 -0.458 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1COc2ccc(O)cc2O1 823913225 QFTRSMVUMHDFOV-UFBFGSQYSA-N 282.296 -0.124 50 20 CBGD O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CCNC1=O 826936613 ATAMDJKWURNKID-SECBINFHSA-N 279.271 -0.348 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1CO[C@@H](C)C1 828427843 QOINILMIFBGPAU-IVZWLZJFSA-N 289.332 -0.454 50 20 CBGD Cc1c(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)nnn1C 831865441 ICUHYPXEIWZQAW-YUMQZZPRSA-N 282.304 -0.299 50 20 CBGD CCCN1C[C@H](C(=O)NNC(=O)NCC2CC2)CC1=O 840289014 PHNHGMPUXSTXBY-SNVBAGLBSA-N 282.344 -0.015 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](CN)C1 843348140 YKUQDNMQGUTIFT-VHSXEESVSA-N 256.350 -0.397 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)N1 845073762 GAXMPFVYJTVYCW-LURJTMIESA-N 279.318 -0.766 50 20 CBGD CNC(=S)N(C)NC(=O)Cc1noc(C)c1C#N 854922973 VMOOPONBJFXILM-UHFFFAOYSA-N 267.314 -0.136 50 20 CBGD O=C1CCC[C@H](C(=O)NNC(=O)OCC(F)(F)F)N1 856020834 VXGJCJOSGCJGFM-RXMQYKEDSA-N 283.206 -0.025 50 20 CBGD O=C(CN1CCOCC1=O)NNc1ncc(Cl)cn1 857357863 GMYJXYFZJLXCCQ-UHFFFAOYSA-N 285.691 -0.568 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(F)(F)F 862455281 DYBNFMBWQOYRHO-UHNVWZDZSA-N 267.207 -0.389 50 20 CBGD CC1CCN(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 862456747 SGIVXIZRSGFYLH-JTQLQIEISA-N 282.344 -0.856 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCS1(=O)=O)c1cn[nH]c1 862471291 YZFJLECBPUNJSG-MRVPVSSYSA-N 286.313 -0.862 50 20 CBGD Cc1cc(=NNC(=O)C2(n3cnnn3)CC2)cc[nH]1 862516396 QKRCIWDOANZEHX-UHFFFAOYSA-N 259.273 -0.569 50 20 CBGD COC(=O)[C@@H](NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 863379143 PBHKFTPWXKDHRT-PWSUYJOCSA-N 291.307 -0.200 50 20 CBGD CCc1cc(CNCc2ccccc2B(O)O)n[nH]1 877034010 VBSIGUQMZHZNJK-UHFFFAOYSA-N 259.118 -0.058 50 20 CBGD COC[C@](C)(CO)N[C@@H](C)C(=O)NNC(=O)CC(C)C 879161702 DFUQQZJZPVVFPJ-GWCFXTLKSA-N 289.376 -0.445 50 20 CBGD COc1ccc2c(c1)CC[C@@H](C(=O)NNC(=O)CO)C2 879395277 FCJSMMXPCJTQAL-LLVKDONJSA-N 278.308 -0.060 50 20 CBGD C#CCCCC(=O)NNC(=O)c1cn(C)c(=O)n1C 887153022 FHEIHQWEAKYGJQ-UHFFFAOYSA-N 264.285 -0.712 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)c1cccnc1 920399578 WJJHYTVMXRHEOB-QMMMGPOBSA-N 264.285 -0.243 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H](C)n1cccn1 920862012 IAXZIPSDOVUIPO-VIFPVBQESA-N 269.305 -0.189 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccnc(O)c1 1116309081 ZQTMCQLGQUUVBD-UHFFFAOYSA-N 261.241 -0.106 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC1(C)CCOCC1 1116429934 XDKFHXLWXISGHF-UHFFFAOYSA-N 273.289 -0.694 50 20 CBGD Cc1nn(C)cc1C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1319705244 GZBZBJUXGFZOIK-SNVBAGLBSA-N 299.356 -0.451 50 20 CBGD CN(NC(=O)c1ccn(-c2ccncc2)n1)C(N)=O 1320938582 QCSUQRXLPVTRFJ-UHFFFAOYSA-N 260.257 -0.077 50 20 CBGD C[C@@]1(CCCC(=O)NNc2ncccn2)NC(=O)NC1=O 1322786349 NPYAYOKJFXZLEV-LBPRGKRZSA-N 292.299 -0.312 50 20 CBGD NC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)Cc2cc[nH]n2)C1 1324409496 VYCVMVDTEZGUKV-BDAKNGLRSA-N 293.327 -0.609 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCn2ncnc2C1 1325676129 XGAJQMXBDZRKHA-MRVPVSSYSA-N 266.305 -0.960 50 20 CBGD Cc1c(C(=O)NNC(=O)C(=O)NC2CC2)cnn1C(C)C 1341618612 JPENODGAQLOSNZ-UHFFFAOYSA-N 293.327 -0.188 50 20 CBGD C[C@@]1(CNC(=O)C2(O)CNC2)C[C@@H]1Br 1347938612 CJEPSWSTDNTUJT-XPUUQOCRSA-N 263.135 -0.390 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H](C(C)C)[C@H](C)N 1579016368 FWDHZRHXBLZCFI-VHSXEESVSA-N 274.365 -0.027 50 20 CBGD C[C@H](CNC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)C(=O)O 1589056301 NHGSNHHUDPSLJH-FNCVBFRFSA-N 285.300 -0.395 50 20 CBGD CC(C)(C=NNC(=O)NCC(=O)O)S(C)(=O)=O 1590615228 OSOQCIYHYHXEME-UHFFFAOYSA-N 265.291 -0.821 50 20 CBGD CCN(CCO)NC(=O)c1ncc(-c2nn[nH]n2)cc1C 1590714305 BNZVDGBQHCIZQP-UHFFFAOYSA-N 291.315 -0.471 50 20 CBGD Cc1cc(C(=O)NNC(=O)C23CC(C(=O)O)(C2)C3)n[nH]1 1600095584 NWNYQFJGVSNUNH-UHFFFAOYSA-N 278.268 -0.266 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C(=O)O)C1CC1 1603486505 WDKTYAZPAVQZCA-IMTBSYHQSA-N 286.284 -0.414 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](C(=O)O)O[C@H](C)C1 1604860570 WNXUIVBEGPFOKI-VGMNWLOBSA-N 287.316 -0.894 50 20 CBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNc1ncnc2[nH]cnc12 1605023613 WRLPSHPMBRNONF-GCXOYZPQSA-N 276.256 -0.093 50 20 CBGD O=C(NNC(=O)[C@@]1(C(=O)O)CC=CCC1)C(=O)NC1CC1 1605814707 PDTVGFVNTIUWSY-CYBMUJFWSA-N 295.295 -0.777 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1CC=C(C(=O)O)C1 1608479751 XHCZFOAYENXWIB-MRVPVSSYSA-N 279.256 -0.473 50 20 CBGD N#CC1=CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 1645759099 HMTYDNDFVZSVSZ-NSHDSACASA-N 282.325 -0.389 50 20 CBGD O=C(Cn1nnc2ccccc2c1=O)NNC(=O)C1CC1 15663194 ATXQREZLXRMJSS-UHFFFAOYSA-N 287.279 -0.651 50 20 CBGD COCC(=O)NNC(=O)Cc1nc2ccccc2n1C 42237014 OHDKKHGBDCQSRI-UHFFFAOYSA-N 276.296 -0.090 50 20 CBGD C#CCN1CCN(S(=O)(=O)CBr)CC1 127202628 CJKIZFMQRXQBPH-UHFFFAOYSA-N 281.175 -0.081 50 20 CBGD O=C(NCC1CC1)NNC1=c2ccc(F)cc2=NC1=O 144083472 KJGPGYBDOYNOFS-UHFFFAOYSA-N 276.271 -0.693 50 20 CBGD NC[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)CCO1 165668546 MPPJENYXEHMYHQ-LBPRGKRZSA-N 292.339 -0.893 50 20 CBGD O=C(CO)NNC(=O)c1c(F)c(F)cc(F)c1F 182772644 GACPMXILHXXBLH-UHFFFAOYSA-N 266.150 -0.004 50 20 CBGD CSC[C@@H](C)NC(=O)NNC(=O)C(=O)N1CCCC1 265534690 DEWCREJMVRWXHN-MRVPVSSYSA-N 288.373 -0.309 50 20 CBGD Cn1cc(C(=O)NNC(=O)C2(C)COC(C)(C)OC2)cn1 272066743 DNODYQWKZSMJPG-UHFFFAOYSA-N 296.327 -0.030 50 20 CBGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NN)cc1 272537243 BRHOJHYPOCYREW-UHFFFAOYSA-N 285.325 -0.453 50 20 CBGD CC(C)(O)C(=O)NNC(=O)COc1ccccc1O 276275442 PBQZKSMNATUWFQ-UHFFFAOYSA-N 268.269 -0.311 50 20 CBGD Cn1cc([C@@H]2C[C@H]2C(=O)Nc2cccc(B(O)O)c2)cn1 584912971 YHYFUYRCMWQBRG-QWHCGFSZSA-N 285.112 -0.158 50 20 CBGD C[C@H]1OCCN(C(=O)c2ccc(B(O)O)c(F)c2)[C@@H]1C 584962329 CUQPIKWWRKYTRP-RKDXNWHRSA-N 281.092 -0.245 50 20 CBGD CC[C@@H](C)[C@@H](CO)NC(=O)c1ccc(B(O)O)cc1 584968290 ACJZBLBMEHMZGA-BXKDBHETSA-N 265.118 -0.497 50 20 CBGD O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]21)c1cc(B(O)O)ccc1F 584978819 DKQBYCJZOLTROD-WQAKAFBOSA-N 293.103 -0.197 50 20 CBGD Cc1cc(C)n(C[C@H](C)NCc2ccc(B(O)O)o2)n1 585021424 VKCGRCFSFFAXDB-JTQLQIEISA-N 277.133 -0.049 50 20 CBGD NC(=O)C1(CNCc2ccc(B(O)O)cc2)CCCC1 585033010 UMQNCBQLXOGNMF-UHFFFAOYSA-N 276.145 -0.498 50 20 CBGD CC1(C)CCC[C@]1(O)CNCc1ccc(B(O)O)o1 585042924 HJVKJZWTUGJPIB-ZDUSSCGKSA-N 267.134 -0.010 50 20 CBGD OB(O)c1ccc(CNCCC[C@H]2CCOC2)o1 585044794 ULTFHUUGFZWXIM-JTQLQIEISA-N 253.107 -0.134 50 20 CBGD CC(C)NC(=O)[C@H](C)NCc1ccccc1B(O)O 585045485 BNSCHCMMTHREAE-JTQLQIEISA-N 264.134 -0.631 50 20 CBGD CC[C@H](C(=O)NNc1nccn(C)c1=O)N1CCCC1=O 747937616 JEAPEBLSHPKFPI-SECBINFHSA-N 293.327 -0.376 50 20 CBGD Cn1nccc1C=NNC(=O)CNC(=O)c1ccco1 750937603 YQWDWRPAQPNDQB-UHFFFAOYSA-N 275.268 -0.107 50 20 CBGD C[C@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)CO 753443287 YOTHYIICIBOHIA-IUCAKERBSA-N 260.290 -0.900 50 20 CBGD CC(C)[C@@H](C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758047885 OKSNOIMKRHNDDP-SFYZADRCSA-N 279.362 -0.636 50 20 CBGD CCC(=O)N1CC[C@@H](NC(=O)NNC(=O)C(C)C)C1 762080136 DKEVMXOIBQUWQG-SECBINFHSA-N 270.333 -0.016 50 20 CBGD CCc1cccc(NC(=O)C(=O)NNC(=O)CO)c1 764429207 PMASLPSPEQMBRZ-UHFFFAOYSA-N 265.269 -0.673 50 20 CBGD CO[C@@]1(CNC(=O)NNC(=O)c2ccc[nH]2)CCOC1 764808872 HXPZISYSLCOHLT-GFCCVEGCSA-N 282.300 -0.236 50 20 CBGD COC(=O)c1cncc(C(=O)NNC(=O)C(C)(C)O)c1 768258965 BSGTXAQVGYROPA-UHFFFAOYSA-N 281.268 -0.600 50 20 CBGD O=C(NNC(=O)c1ccccn1)c1cnc2[nH]nnc2c1 771500200 NAVIFLHWZFFICT-UHFFFAOYSA-N 283.251 -0.177 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)c1cccn1C 771605571 INHOHPPROUGPPY-SECBINFHSA-N 264.285 -0.593 50 20 CBGD CCNC(=O)N(C)NC(=O)CNC(=O)c1ccc(O)cc1 780708045 DTWISTRXIPRWJD-UHFFFAOYSA-N 294.311 -0.186 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1c[nH]cc(C)c1=O 781425807 JDACQLUXGFOXSQ-UHFFFAOYSA-N 275.268 -0.210 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)[C@@]1(C)CCCO1 782221569 MLUJKDWJQORYEL-LDYMZIIASA-N 291.373 -0.015 50 20 CBGD CC(=O)CSCC(=O)NNC(=O)C(=O)N1CCCC1 787276288 VGTYKIBMVDVUER-UHFFFAOYSA-N 287.341 -0.922 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cc([N+](=O)[O-])n[nH]2)cn1 796530578 VSURVHFDEUWFIL-UHFFFAOYSA-N 279.216 -0.874 50 20 CBGD CNC(=O)[C@@]1(C)CCN(CC(=O)NNC(=O)C(C)(C)C)C1 797525646 QKNPYADIUFHQBT-AWEZNQCLSA-N 298.387 -0.362 50 20 CBGD O=C(CC1OCCO1)NNC(=O)N=c1cc[nH]cc1 802030190 ZFNXIPIKSVORGS-UHFFFAOYSA-N 266.257 -0.581 50 20 CBGD CCCNC(=O)CCC(=O)NNC(=O)N=c1cc[nH]cc1 802036080 OWUBKOVFSYPEQS-UHFFFAOYSA-N 293.327 -0.037 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ccn(C)n2)CC1 807378648 HLDDMLTVGROIEI-UHFFFAOYSA-N 266.305 -0.978 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ccc(O)nc2)CC1 807379787 DKQYCBWCJYHCTA-UHFFFAOYSA-N 279.300 -0.611 50 20 CBGD CO[C@](C)(CNC(=O)NNC(=O)C(=O)NC1CC1)C1CC1 813202577 FPLNJPXHABYYEP-CYBMUJFWSA-N 298.343 -0.590 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)NC(C)C 822841071 SRHSUWLBUVEAOQ-SECBINFHSA-N 258.322 -0.554 50 20 CBGD CCN(CCO)NC(=O)c1ncccc1S(C)(=O)=O 823893651 RKMXRYYRELONSX-UHFFFAOYSA-N 287.341 -0.556 50 20 CBGD Cc1csc(=O)n1CCC(=O)NN(C)[C@@H](C)CO 823987940 NBTBWILAEXRWKF-QMMMGPOBSA-N 273.358 -0.048 50 20 CBGD CCOC(=O)[C@H]1CCCN1CC(=O)NNC(=O)C(C)C 828905303 UNJPEOSADNLEDL-SNVBAGLBSA-N 285.344 -0.183 50 20 CBGD CS(=O)(=O)c1cccc(NNC(=O)[C@@H]2CC(=O)N2)c1 831747819 ZOLYBDFFQNNXMF-VIFPVBQESA-N 283.309 -0.578 50 20 CBGD C=C[C@H](O)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 831790210 JVUMEOYXQWZTEI-ZETCQYMHSA-N 273.289 -0.795 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](CN)C1 843348138 YKUQDNMQGUTIFT-NXEZZACHSA-N 256.350 -0.397 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843972422 GWNUTWQJJRJESX-SRVKXCTJSA-N 279.340 -0.344 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCc3cncn3C2)cn1 844134334 JJHDWRAVJQCYHV-SECBINFHSA-N 288.311 -0.360 50 20 CBGD NS(=O)(=O)C1(C(=O)NN=c2cc[nH]cc2Cl)CC1 845946307 DFBSBIXWQGTJSG-UHFFFAOYSA-N 290.732 -0.579 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)N2CCOCCN2)cn1 854694535 PBMZJVWVNVZORG-WDZFZDKYSA-N 261.285 -0.310 50 20 CBGD CCN1CCC[C@@H]1CNC(=O)NNC(=O)c1cn[nH]c1 858120723 KPCCVPLWWIYAGV-SNVBAGLBSA-N 280.332 -0.162 50 20 CBGD CO[C@@H]1CN(S(=O)(=O)CBr)CCO1 859123103 AYGFCCSSXVQCNA-LURJTMIESA-N 274.136 -0.027 50 20 CBGD O=C(CCCCN1CCCC1)NNC(=O)[C@H]1CCC(=O)N1 862454164 RAMFHCRUROCYAZ-LLVKDONJSA-N 296.371 -0.322 50 20 CBGD CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862458209 AJDXDGUHZXPHRN-OYNCUSHFSA-N 271.317 -0.527 50 20 CBGD CC(C)(C(=O)NNC(=O)[C@H]1CCC(=O)N1)C(F)F 862459003 LMLDTTABIUBHBF-RXMQYKEDSA-N 263.244 -0.296 50 20 CBGD C[C@H](NNC(=O)c1cccc(B(O)O)c1)C(F)(F)F 863887147 DHENKSFISMXUJP-LURJTMIESA-N 276.023 -0.448 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccc(F)nc1 869909746 IGPLLQWOLAUIDS-UHFFFAOYSA-N 271.248 -0.355 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@H]1CC12CCC2 876428170 ULVGHGJSUHQPJF-QMMMGPOBSA-N 266.301 -0.462 50 20 CBGD CCC1(Cn2cc(C(=O)NN(C)C[C@H](C)O)nn2)COC1 910151183 ZJNDFXYJUMENII-JTQLQIEISA-N 297.359 -0.338 50 20 CBGD C[C@H](O)CN(C)NC(=O)CNC(=O)OC(C)(C)C 910168459 OTVICYMIEKFMJT-QMMMGPOBSA-N 261.322 -0.145 50 20 CBGD C[C@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)C2CC2)C1=O 916550026 AIWYVTBEQWTMBL-CYBMUJFWSA-N 294.311 -0.736 50 20 CBGD CN1CC[C@@H]1CNC(=O)NNC(=O)[C@H]1CCCCO1 925425674 SWBXFMKSQALAEP-NXEZZACHSA-N 270.333 -0.410 50 20 CBGD CCc1ncoc1C(=O)NNC(=O)N1CCOCC1 1120594688 SIBBAJOSSUUTOY-UHFFFAOYSA-N 268.273 -0.076 50 20 CBGD Cn1ncc(C(=O)NNC(=O)CO)c1C(F)(F)F 1254646414 YJTNPEVOOUMNIF-UHFFFAOYSA-N 266.179 -0.808 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H](OC)c1ccccc1 1318941206 GCQMOYQQTPERQA-SNVBAGLBSA-N 295.295 -0.123 50 20 CBGD O=C(CCc1nc[nH]n1)NNC(=O)CNc1ccccc1 1319063992 YAVDFAUOIQESBA-UHFFFAOYSA-N 288.311 -0.003 50 20 CBGD NC(=O)NCCCCC(=O)NN=c1cc[nH]cc1 1319940132 OXOXRLXWMUAXHR-UHFFFAOYSA-N 251.290 -0.215 50 20 CBGD CSC1(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1321813993 PODMIVKHEZBOOK-SSDOTTSWSA-N 292.382 -0.536 50 20 CBGD CCCNC(=O)NNC(=O)c1ccoc1CC(N)=O 1322052613 RMLZQYJSBLSLOO-UHFFFAOYSA-N 268.273 -0.339 50 20 CBGD COC(=O)NNS(=O)(=O)c1cnc(NC(C)=O)s1 1325268650 ZQNPYEVMAHDUOR-UHFFFAOYSA-N 294.314 -0.349 50 20 CBGD COCCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1328689054 JZWAPBAPWHEISY-QMMMGPOBSA-N 272.305 -0.978 50 20 CBGD CC(C)n1cncc1C=NNC(=O)CS(C)(=O)=O 1329194503 BPQJDPYPPFZWGU-UHFFFAOYSA-N 272.330 -0.041 50 20 CBGD Cc1nn(C)cc1C=NNC(=O)CS(C)(=O)=O 1329196119 OYRMOXNBRGKRKM-UHFFFAOYSA-N 258.303 -0.777 50 20 CBGD CC(F)(F)CCC(=O)NNC(=O)[C@H]1CCC(=O)N1 1329201827 RDLQSPBAHBODRB-ZCFIWIBFSA-N 263.244 -0.152 50 20 CBGD COCCCn1cc(C(=O)N2CC[C@@H](B(O)O)C2)cn1 1329292913 NKQSTOMIVXPVMM-LLVKDONJSA-N 281.121 -0.392 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1cncn1C 1329561145 IPUNTEJZTFLBBF-WCBMZHEXSA-N 266.301 -0.465 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCCS(=O)(=O)C1 1334201765 ICMNYTGNHIGONB-RKDXNWHRSA-N 264.347 -0.845 50 20 CBGD COC(=O)N(C)CC(=O)NNc1nnc(C)c(O)n1 1337821371 XXXGTYKKURBPOX-UHFFFAOYSA-N 270.249 -0.973 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1conc1COC 1345659982 HNOVGNUZSCHMAX-ZETCQYMHSA-N 299.283 -0.076 50 20 CBGD C[C@]1(C(=O)O)CCCN1C(=O)c1ccc(B(O)O)cc1 1589184720 BLGVJIKWSMCGJC-CYBMUJFWSA-N 277.085 -0.554 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cc(O)cc(-c2nn[nH]n2)c1 1589882020 ILHSBXCURLBCRL-SSDOTTSWSA-N 292.299 -0.470 50 20 CBGD O=C(O)C1=NO[C@@H](C(=O)NNC(=O)[C@@H]2CCCS2)C1 1594889970 OXKFZGUQUZHNKY-RQJHMYQMSA-N 287.297 -0.741 50 20 CBGD CO[C@@](C)(CNC(=O)NNC(=O)C(=O)O)C1CC1 1599035637 BSTIUXYMYBODAD-JTQLQIEISA-N 259.262 -0.784 50 20 CBGD Cc1nc(C(=O)O)cn1CC(=O)NNC(=O)C1CC1 1600685142 AVLNERFUVHNDAW-UHFFFAOYSA-N 266.257 -0.553 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1)c1ccncc1 1601555665 DTLUIHBYZGJENZ-BDAKNGLRSA-N 279.252 -0.525 50 20 CBGD O=C(O)Cc1occc1C(=O)NNC(=O)c1cnn[nH]1 1602155629 ZKCCCBXUJVXXGJ-UHFFFAOYSA-N 279.212 -0.900 50 20 CBGD CC[C@H](C)[C@H](NNC(=O)c1nnn(C)c1C)C(=O)O 1604946237 NZIQXVHYDPFRKH-XPUUQOCRSA-N 269.305 -0.143 50 20 CBGD COc1ncccc1CNC(=O)NNC(=O)C(=O)O 1607360957 QOLVUYPHAHMLLJ-UHFFFAOYSA-N 268.229 -0.995 50 20 CBGD Cn1cc(C(=O)NN=C2CC(C(=O)O)C2)ccc1=O 1776103415 HVGFXKZBKMVXOH-UHFFFAOYSA-N 263.253 -0.034 50 20 CBGD O=C(NNC(=O)C1CC1)c1ccc(-n2cnnn2)cc1 28884290 WOKMOYVAGGJQJO-UHFFFAOYSA-N 272.268 -0.167 50 20 CBGD Cn1nc(C(=O)NNC(=O)c2ccc(C#N)cc2)ccc1=O 61474497 LRYZZFBIELNBLB-UHFFFAOYSA-N 297.274 -0.273 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(CC2CC2)CC1 111203675 NKCDFNLPROGMDL-NSHDSACASA-N 282.388 -0.040 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1n[nH]cc1[N+](=O)[O-] 159183160 XTYACUCXUUNWHA-UHFFFAOYSA-N 278.228 -0.269 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc(OC(F)F)n(C)n1 186418886 WDSHAQHEXPCDPC-UHFFFAOYSA-N 291.258 -0.656 50 20 CBGD C[C@H](NC(=O)NNC(=O)C1CCC1)C(=O)N(C)C 264759696 SXTNPRGKMKIYPX-ZETCQYMHSA-N 256.306 -0.406 50 20 CBGD COc1ccnc(NNC(=O)CN2CCOCC2)n1 270787769 WDNWTWMTEISNHE-UHFFFAOYSA-N 267.289 -0.740 50 20 CBGD Cc1ccc(NNC(=O)NCC(=O)N2CCOCC2)nn1 272148899 YCJPTJWFYYQOLB-UHFFFAOYSA-N 294.315 -0.730 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1ccnc(F)c1 272744804 MSPYFCOKYRDPMA-ZCFIWIBFSA-N 276.293 -0.399 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@H]2CCCN2C2CC2)nn1 278692135 MCHQPRQCAQOPGF-SNVBAGLBSA-N 290.327 -0.355 50 20 CBGD C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@@H](C)O1 584923386 HLJLCCDTCHYLLD-AOOOYVTPSA-N 263.102 -0.384 50 20 CBGD CC(C)[C@H]1CN(C)CCN1C(=O)c1ccc(B(O)O)cc1 584947942 ABBRNPCAOXQJGW-CQSZACIVSA-N 290.172 -0.221 50 20 CBGD COC(C)(C)CNC(=O)c1cccc(B(O)O)c1 584955834 QEWIXGDJIKFABB-UHFFFAOYSA-N 251.091 -0.479 50 20 CBGD O=C(NC[C@@]1(O)CCSC1)c1cc(B(O)O)ccc1F 584956750 HJNZRJJGPDMULG-LBPRGKRZSA-N 299.132 -0.897 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 584997664 JTOOWPSQFVHDQD-XJFOESAGSA-N 285.108 -0.608 50 20 CBGD CCc1nc(NC(=O)c2ccc(B(O)O)c(F)c2)nn1C 585003927 YLTANAYNGLGWRK-UHFFFAOYSA-N 292.079 -0.551 50 20 CBGD CCCN1CC[C@H](NC(=O)c2cc(B(O)O)ccc2F)C1 585005658 KJIKPWNWQUUYIB-NSHDSACASA-N 294.135 -0.280 50 20 CBGD CN(CC1=CCCOC1)C(=O)c1cccc(B(O)O)c1 585008405 VDIUKQINUOOIGU-UHFFFAOYSA-N 275.113 -0.215 50 20 CBGD CC(C)(C)NC(=O)CNCc1cccc(B(O)O)c1 585018548 YFYJSKGTYSTSAO-UHFFFAOYSA-N 264.134 -0.629 50 20 CBGD CC[C@@H](C)[C@@H](O)CNCc1cccc(B(O)O)c1 585023043 BOTUEJRLKLLXLO-MFKMUULPSA-N 251.135 -0.137 50 20 CBGD COCC[C@@](C)(O)CNCc1ccccc1B(O)O 585024059 SNQPIOQOUHXZRC-CYBMUJFWSA-N 267.134 -0.757 50 20 CBGD CC(C)[C@@H](CO)NCc1ccc(B(O)O)cc1F 585026481 NRBLPJRCBQYSCY-GFCCVEGCSA-N 255.098 -0.388 50 20 CBGD COC[C@H](CNCc1ccc(B(O)O)cc1F)OC 585033681 AKBCSKOEFFRTPA-NSHDSACASA-N 271.097 -0.744 50 20 CBGD C[C@H](C[S@](C)=O)NCc1ccc(B(O)O)cc1 585034653 LAVGDHRCNHTHLG-XLFHBGCDSA-N 255.148 -0.777 50 20 CBGD C[C@H](NCc1ccc(B(O)O)o1)c1ccnc(O)c1 585042334 APKJFGAQXWDDDJ-QMMMGPOBSA-N 262.074 -0.089 50 20 CBGD Cc1nnsc1CNCc1ccc(B(O)O)o1 585043691 SPKUAVOPSHOPDT-UHFFFAOYSA-N 253.092 -0.591 50 20 CBGD COc1cccc(C(=O)NNC(=O)[C@@H]2C[C@@H]2C(=O)O)c1O 738084571 ZOKHHZZNLMBKEB-SFYZADRCSA-N 294.263 -0.118 50 20 CBGD O=C(O)CSCCC(=O)NNC(=O)c1ccc[nH]1 739845021 AOGPJAWDIUBIJO-UHFFFAOYSA-N 271.298 -0.016 50 20 CBGD C[C@@H](C(=O)NNc1ccnc(N(C)C)n1)n1cncn1 740112864 RJVTWWWUBDHDDC-QMMMGPOBSA-N 276.304 -0.162 50 20 CBGD Cc1cnn(CC(=O)NNc2ccc(C(N)=O)nn2)c1 757409213 ZGNGEWWAAUCOJP-UHFFFAOYSA-N 275.272 -0.776 50 20 CBGD CC(C)[C@@H](C(=O)NN(C)C(N)=O)N1CCCS1(=O)=O 770438327 RBKXCRUTPBCMIZ-QMMMGPOBSA-N 292.361 -0.912 50 20 CBGD COc1cc(C)nc(NNC(=O)C2(O)CCOCC2)n1 773236178 PRVSKXCVRFZSFB-UHFFFAOYSA-N 282.300 -0.222 50 20 CBGD Cc1cc[nH]c1C(=O)NNC(=O)C(=O)N1CCCC1 797847211 FGDKRFBYSBEWEC-UHFFFAOYSA-N 264.285 -0.293 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)NCC(F)(F)F)CC1 798313696 MPXRYVVOGQJJFK-UHFFFAOYSA-N 282.222 -0.595 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)COC(F)F 803732197 DZPXYRJFDBVPGZ-RXMQYKEDSA-N 268.216 -0.285 50 20 CBGD CC(C)(O)C(=O)NN=Cc1ccc(S(N)(=O)=O)cc1 811648153 GBOFUPIXDDQNRA-UHFFFAOYSA-N 285.325 -0.445 50 20 CBGD Cn1ncc(C=NNC(=O)C(=O)NC2CC2)c1Cl 814777974 LBKRHAWNXQCXTM-UHFFFAOYSA-N 269.692 -0.198 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@H](C(=O)O)C1 817797175 SVAUNMQOWKRCEY-QMMMGPOBSA-N 271.317 -0.414 50 20 CBGD CCOC(=O)c1c[nH]nc1S(=O)(=O)NNC(=O)CC 818783554 HYONIVXRUMUWQY-UHFFFAOYSA-N 290.301 -0.694 50 20 CBGD Cc1nc(CC(=O)NNC(=O)NCC2CC2)n[nH]1 823804390 OFQVLAVGNPGBPS-UHFFFAOYSA-N 252.278 -0.604 50 20 CBGD CCCN1C[C@H](C(=O)NNC(=O)c2cnn(C)c2)CC1=O 839686951 TTXCGLDSXKNCQA-SECBINFHSA-N 293.327 -0.560 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCn1ccnn1 843645451 RFDBYOPJKQNGGF-BDAKNGLRSA-N 267.289 -0.759 50 20 CBGD CO[C@H](CC(=O)NNC(=O)C(C)(C)O)C(F)(F)F 845992395 KIPKICHSEUCUDV-RXMQYKEDSA-N 272.223 -0.128 50 20 CBGD C[C@H](CC(=O)NNC(=O)C(C)(C)O)n1ccnc1 845992457 LZLRQWLTPGIDFV-MRVPVSSYSA-N 254.290 -0.248 50 20 CBGD CNC(=S)N(C)NC(=O)Cn1c(C)c(C)sc1=O 854926138 SKJFWXKOAZLABN-UHFFFAOYSA-N 288.398 -0.006 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1ncc(Cl)cn1 857357111 HJURNSAWPCAZFC-UHFFFAOYSA-N 287.707 -0.322 50 20 CBGD C[C@@H]1CCCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 858696105 IXEKTBQEFINDEL-HTQZYQBOSA-N 254.290 -0.510 50 20 CBGD C[C@@H]1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C[C@@H]1C 858696540 MWWUTIGNGWGYTQ-KXUCPTDWSA-N 282.344 -0.016 50 20 CBGD C[C@@H](NNC(=O)C(C)(C)NS(C)(=O)=O)C(F)(F)F 862314059 UPPYREHEAAJMKL-RXMQYKEDSA-N 291.295 -0.114 50 20 CBGD C=CCOCCCC(=O)NNC(=O)CS(C)(=O)=O 863463416 ZDXBPPXHPXFAGR-UHFFFAOYSA-N 278.330 -0.839 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)N1 875395136 IDDUTJJUKFGSEH-LXHDSISDSA-N 292.339 -0.360 50 20 CBGD Cc1cc(N(C)CC(=O)NNC(=O)C(C)C)n[nH]1 879747544 YNQXSSFDZVTNDS-UHFFFAOYSA-N 253.306 -0.042 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 910143557 BILPEZXEKZKNLP-MXWKQRLJSA-N 295.339 -0.719 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cc(OC)ncn1 935290933 GVVQXCAWAIUVAJ-UHFFFAOYSA-N 253.262 -0.209 50 20 CBGD Cc1cc(C)c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)[nH]1 1252951961 ZIDXSWBQOZHMAB-SECBINFHSA-N 299.352 -0.173 50 20 CBGD O=C(CCCc1ccccn1)NNC(=O)[C@@H]1CCC(=O)N1 1261830343 SOOICXUGVTUHON-NSHDSACASA-N 290.323 -0.170 50 20 CBGD Cc1nc(CC(=O)NNC(=O)C(=O)NC2CC2)cs1 1317728750 GOCYCIXRZQLQFO-UHFFFAOYSA-N 282.325 -0.580 50 20 CBGD CC(C)NC(=O)NNC(=O)c1ccn(C)c(=O)c1 1318069130 NTBVEZNBNJKXEH-UHFFFAOYSA-N 252.274 -0.262 50 20 CBGD O=C1C[C@H](C(=O)NNc2ncnc3[nH]cnc23)CCN1 1319687108 YEOSBCKFSRBZMT-ZCFIWIBFSA-N 275.272 -0.678 50 20 CBGD CC1(C)C[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)CCO1 1320290521 RVVNIWHMIGUEKJ-VIFPVBQESA-N 298.343 -0.447 50 20 CBGD Cc1nc(Cn2cc(C(=O)NNC(=O)C(C)C)nn2)no1 1320970933 PPEHZLUXWWJTIY-UHFFFAOYSA-N 293.287 -0.565 50 20 CBGD CCOC(=O)[C@H](CC(C)C)NNC(=O)C(=O)OC 1323660973 CYCBLNZXGIMBSV-QMMMGPOBSA-N 260.290 -0.242 50 20 CBGD Cc1nn(CC(F)(F)F)cc1C(=O)NNC(=O)CO 1323783418 OWGXSKXJYOCDNZ-UHFFFAOYSA-N 280.206 -0.493 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCCCNC(N)=O 1326381270 KOPICIBQGTYWDU-IUCAKERBSA-N 286.332 -0.603 50 20 CBGD Cc1cc(C=NNC(=O)CS(C)(=O)=O)ncn1 1329197000 WQVLFSJUSSRELM-UHFFFAOYSA-N 256.287 -0.720 50 20 CBGD Cc1cnccc1CC(=O)NNC(=O)CS(C)(=O)=O 1331835107 WZYQHJSLGUVFNW-UHFFFAOYSA-N 285.325 -0.875 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cnc(C)s1 1341112336 OFHIMDFRSKOKTB-UHFFFAOYSA-N 250.305 -0.426 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CC(N2CCN(C)CC2)C1 1344027713 HKLKRGNHZVRCMB-QXMHVHEDSA-N 278.356 -0.111 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1NCC12CCOCC2 1578402975 HOTQQQVULWRQBF-MRVPVSSYSA-N 256.306 -0.943 50 20 CBGD C[C@@H](C(=O)O)C(=O)NNC(=O)Cc1cn2ccccc2n1 1588573642 HDBIVTVZAYMCQE-MRVPVSSYSA-N 290.279 -0.255 50 20 CBGD O=C(O)[C@@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 1602173952 HAQPZLBQNQOMHI-JTQLQIEISA-N 263.058 -0.944 50 20 CBGD CN(C)N(C(=O)CCCC(=O)O)[C@H]1CCS(=O)(=O)C1 1610102397 LFJPWGBUKICITB-VIFPVBQESA-N 292.357 -0.266 50 20 CBGD COc1cc(O)c(C=NNC(=O)C(=O)O)cc1OC 1610304033 IUTLWYZDXBHLMB-UHFFFAOYSA-N 268.225 -0.056 50 20 CBGD CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792976706 KMHJUQPEMJVGDF-LMLFDSFASA-N 290.747 -0.804 50 20 CBGD O=C(NNC(=O)c1csc([N+](=O)[O-])c1)C(=O)NC1CC1 44349951 QKJNVQXZQVSXLD-UHFFFAOYSA-N 298.280 -0.304 50 20 CBGD CN(CCO)CC(=O)NNC(=O)c1ccccc1 49633645 UIHGQPVHXXXKMX-UHFFFAOYSA-N 251.286 -0.628 50 20 CBGD NC(=O)COc1ccc(C(=O)NNC(=O)NC2CC2)cc1 138633331 BIZFNBCACYJRKP-UHFFFAOYSA-N 292.295 -0.343 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cncc(F)c1 186135653 BKJZWFLKJSACDO-UHFFFAOYSA-N 263.232 -0.053 50 20 CBGD O=C(C[C@@H]1CCCC(=O)N1)NNC(=O)c1ccc[nH]1 290044360 ZELHRCFIEFNDFE-QMMMGPOBSA-N 264.285 -0.166 50 20 CBGD CNC(=O)NCCC(=O)NNC(=O)c1ccccc1F 292326823 MYCZXFOEWZOARP-UHFFFAOYSA-N 282.275 -0.094 50 20 CBGD CCN(CC(N)=O)CC(=O)NNC(=O)c1ccc(F)cc1 298509170 KMTBCFWOEMYZOT-UHFFFAOYSA-N 296.302 -0.606 50 20 CBGD C[C@H](O)[C@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584964864 MHRNNZAJNFFMBX-ONGXEEELSA-N 295.119 -0.262 50 20 CBGD C[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)CC[S@@]1=O 584981321 BYZUAMAKPGTVLU-SBKAZYGRSA-N 295.169 -0.651 50 20 CBGD Cc1noc(C2CN(C(=O)c3cccc(B(O)O)c3)C2)n1 584982488 KYOVVRWDSWXPDM-UHFFFAOYSA-N 287.084 -0.703 50 20 CBGD C[C@H](CCO)N(C)C(=O)c1cc(B(O)O)ccc1F 585004932 RWTWMVSFLBDGGD-MRVPVSSYSA-N 269.081 -0.652 50 20 CBGD OC[C@@H](CNCc1ccc(B(O)O)cc1)Cc1ccco1 585028074 CZVXVDRLEADWSM-CYBMUJFWSA-N 289.140 -0.100 50 20 CBGD OB(O)c1ccccc1CNCCCc1cnccn1 585029641 IDCMUWFENGVAHH-UHFFFAOYSA-N 271.129 -0.121 50 20 CBGD OB(O)c1cccc(CN[C@H]2CCc3n[nH]cc3C2)c1 585030274 QNLYOIXXSIBICN-ZDUSSCGKSA-N 271.129 -0.263 50 20 CBGD C[C@H](NCc1ccc(B(O)O)o1)[C@@H]1CCCOC1 585035032 XIUOUZSAKVNJPH-VHSXEESVSA-N 253.107 -0.136 50 20 CBGD NC(=O)[C@@H]1CC[C@H](NCc2cccc(B(O)O)c2)C1 585044926 XHZDHNCJRYBMSO-PWSUYJOCSA-N 262.118 -0.890 50 20 CBGD O=S(=O)(NCB(O)O)c1cnn(Cc2ccccc2)c1 585055478 BULXNWYXWFARDK-UHFFFAOYSA-N 295.129 -0.778 50 20 CBGD O=C(NCB(O)O)[C@@H]1COc2cc(F)ccc2C1 585062381 HPQVTRNWAKFNQP-QMMMGPOBSA-N 253.038 -0.495 50 20 CBGD O=C(CCC(=O)N1CC[C@@H](B(O)O)C1)NC1CCCC1 585067659 ZDJSAVYPHKKRFH-SNVBAGLBSA-N 282.149 -0.099 50 20 CBGD CN1CC[C@](O)(CNS(=O)(=O)CBr)C1 702553227 ZJAXUNXLWZZXTF-ZETCQYMHSA-N 287.179 -0.675 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1cnn(CC)c1 727362448 RQDWNJJYUGPWRT-UHFFFAOYSA-N 261.307 -0.585 50 20 CBGD CCNC(=O)CCC(=O)NNC(=O)c1cccn1C 732053070 YZACXDYEFRURQH-UHFFFAOYSA-N 266.301 -0.298 50 20 CBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cnn[nH]2)C[C@@H](C)O1 732260191 PLLWHYKUMJBIOE-DTORHVGOSA-N 296.331 -0.935 50 20 CBGD O=C(O)NCCC(=O)NNC(=O)Cc1ccccn1 738656839 IALBUMBTBBCBKL-UHFFFAOYSA-N 266.257 -0.571 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1CCc2c[nH]nc2C1 742583374 KOZXMSMUQZFGAU-SECBINFHSA-N 295.343 -0.119 50 20 CBGD CC(=O)NCC(=O)NCC(=O)NNc1ccccc1F 748057077 KEYLIECIBOOFPJ-UHFFFAOYSA-N 282.275 -0.479 50 20 CBGD Cc1nc(Cl)cc(NNC(=O)C2=NNC(=O)C2)n1 748336644 XZAPYHQLRXWHEX-UHFFFAOYSA-N 268.664 -0.243 50 20 CBGD O=C(CO)NNC(=O)CCNC(=O)C1CCCCC1 753452246 MQDBXNLRTDAGLZ-UHFFFAOYSA-N 271.317 -0.787 50 20 CBGD O=C1CC(C(=O)NN=c2cc[nH]cc2Cl)=NN1 757422423 ULEKVLHFHRYJPP-UHFFFAOYSA-N 253.649 -0.524 50 20 CBGD Cn1[nH]cnc1=NC(=O)NNC(=O)c1cccnc1 757760716 HHBKTJKTLZWCSP-UHFFFAOYSA-N 261.245 -0.902 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1cnc2c(c1)CCCC2 764421271 IRGQEDCIXWKLAS-UHFFFAOYSA-N 292.295 -0.961 50 20 CBGD CC1=C(C(=O)NNC(=O)C(C)(C)O)C(=O)OC1(C)C 768256457 PZTJILRKJPBDKJ-UHFFFAOYSA-N 270.285 -0.443 50 20 CBGD COc1cc(C)c(NC(=O)C(=O)NNC(=O)CO)cc1F 773495432 DCTSRMONQDBQQJ-UHFFFAOYSA-N 299.258 -0.779 50 20 CBGD COC(=O)CNC(=O)NN=C1CCN2CCC[C@@H]12 779821233 QGRUQEJXXVNXLE-VIFPVBQESA-N 254.290 -0.317 50 20 CBGD O=C(CCN1CCOCC1)NN=c1cc[nH]cc1 780756926 HJIZXLUMIVYADT-UHFFFAOYSA-N 250.302 -0.331 50 20 CBGD CC(C)C[C@H]1C(=O)NCCN1CC(=O)NNC(=O)C1CC1 782576975 YJVVMMQEOAXLKL-NSHDSACASA-N 296.371 -0.610 50 20 CBGD Cn1ncc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)n1 785668069 AUJLCFGKYXSFOO-UHFFFAOYSA-N 290.239 -0.202 50 20 CBGD CC(C)[C@H](O)C(=O)NNC(=O)N=c1cc[nH]cc1 813574262 RONISWWLMRTIAC-VIFPVBQESA-N 252.274 -0.327 50 20 CBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)c1ccc[nH]1 816824024 NFKFHMXQYPJTCP-RQJHMYQMSA-N 250.258 -0.713 50 20 CBGD CCN(C)C(=O)CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 826537707 PGWJGKNVODMLOM-IUCAKERBSA-N 286.332 -0.780 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)Cn1cc(C2CC2)cn1 826666021 ALUQCELOLBPWOB-UHFFFAOYSA-N 288.311 -0.126 50 20 CBGD COCn1ccc(C(=O)NNC(=O)c2c[nH]nc2C)n1 826755425 XHLYNOHWBHUHNQ-UHFFFAOYSA-N 278.272 -0.407 50 20 CBGD C=C(CN(C)C)C(=O)NNc1cc(C)nc(N)n1 828371749 NZSGABGDOQCXGN-UHFFFAOYSA-N 250.306 -0.072 50 20 CBGD CCOCCNC(=O)NNC(=O)[C@H]1CCCCO1 836232263 ARDITQQGTWSRAK-SECBINFHSA-N 259.306 -0.078 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CCCC[C@H]1CN 841950672 VHKYXCHIFMZREP-UWVGGRQHSA-N 272.349 -0.129 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC([C@H](C)N)CC1 843348892 WPHUVSZOKQKLOI-UWVGGRQHSA-N 270.377 -0.009 50 20 CBGD Cc1cnc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cn1 843642579 XKCFJDFFNJBSHP-DTWKUNHWSA-N 264.285 -0.029 50 20 CBGD Nc1nccc(C(=O)NNC(=O)NCC2CC2)c1[N+](=O)[O-] 847390681 JCRPEDLEEVFDGY-UHFFFAOYSA-N 294.271 -0.074 50 20 CBGD COCCN(C)NC(=O)C1=C(C)N(C)c2nnnn2[C@H]1C 848056448 ALMIQAKNMUXZBZ-VIFPVBQESA-N 295.347 -0.433 50 20 CBGD COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCl 849378521 MFSKGYLZCYZEJZ-RITPCOANSA-N 257.695 -0.879 50 20 CBGD CNC[C@@H](C)NC(=O)NNc1ccc(-n2cccn2)nn1 851682636 YHJRHEFEMXNDEC-SECBINFHSA-N 290.331 -0.104 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(=O)N(C)CC1 852577656 IWSAWHGSDZYGQK-SECBINFHSA-N 270.333 -0.904 50 20 CBGD Cc1ccncc1CC(=O)NNC(=O)CN(C)C 857105223 GRXLDTCBGVROFJ-UHFFFAOYSA-N 250.302 -0.358 50 20 CBGD Cc1cc(NNC(=O)C2(n3cnnn3)CC2)nc(C)n1 857131427 YNUOWNWEIZMKJG-UHFFFAOYSA-N 274.288 -0.288 50 20 CBGD CC(C)OCCONC(=O)NNC(=O)c1cn[nH]c1 858481584 HBXKSEOKLLEZIZ-UHFFFAOYSA-N 271.277 -0.290 50 20 CBGD COC(=O)C[C@H](O)CNS(=O)(=O)CBr 859344470 VOOVTGIQAQXDDH-YFKPBYRVSA-N 290.135 -0.818 50 20 CBGD CCCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1cn[nH]c1 862475103 YZWGXIDOTPIXRG-SNVBAGLBSA-N 293.327 -0.038 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@]1(C#N)CC12CCCC2 863465884 LJRYVIKJZZMDKF-LBPRGKRZSA-N 299.352 -0.348 50 20 CBGD COC(=O)[C@]1(F)CCN(C(=O)c2ccc(B(O)O)cc2)C1 863874977 HJTVLSNPYTXUSJ-ZDUSSCGKSA-N 295.075 -0.906 50 20 CBGD CC(=O)C[C@@H]1COCCN1C(=O)c1ccc(B(O)O)cc1 863879307 XVWKTKPBVTTWBE-CYBMUJFWSA-N 291.112 -0.814 50 20 CBGD COC[C@@H]1CCCN1NC(=O)c1cc(B(O)O)ccc1F 863887751 UEYGIFVXAADSRC-JTQLQIEISA-N 296.107 -0.739 50 20 CBGD CN(N=Cc1cn(C[C@@H]2CCCO2)nn1)C(N)=O 872361359 XQXOUQVNRUXXIZ-VIFPVBQESA-N 252.278 -0.199 50 20 CBGD Cc1cc(=NNC(=O)NC[C@@H]2CN(C)CCN2C)cc[nH]1 875271864 QNBBKYVZBRDAJD-CYBMUJFWSA-N 292.387 -0.316 50 20 CBGD COc1nn(C)cc1C(=O)NNC(=O)[C@@H]1CCCCO1 883970749 DACBKJWOLVNAPJ-VIFPVBQESA-N 282.300 -0.241 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCCCO2)n(C)c1=O 908517352 JLBYUPSUSKQECM-SECBINFHSA-N 282.300 -0.946 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1nc2ncccn2n1 910141243 RBFSLFCIRXIBEC-ZETCQYMHSA-N 250.262 -0.918 50 20 CBGD C[C@H](O)CN(C)NC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 910170675 PHKNJKSQQNRCGE-WDEREUQCSA-N 297.359 -0.754 50 20 CBGD Cc1cccc(NNC(=O)CN2CCNC(=O)C2)n1 912982488 PGJWEUKHYKJHOH-UHFFFAOYSA-N 263.301 -0.735 50 20 CBGD C[C@H](C(=O)NNc1ncnc2[nH]cnc12)n1cncn1 1116566835 VZYQSBLWRUIKBZ-ZCFIWIBFSA-N 273.260 -0.351 50 20 CBGD COCC1(C(=O)NNc2nnc(C)c(O)n2)CCOCC1 1117668554 KVIAKEGCLPINOX-UHFFFAOYSA-N 297.315 -0.228 50 20 CBGD N#CC1=CCN(C(=O)C2=NN3CCCN=C3N2)CC1 1118695090 LVFCFACRQOOMJM-UHFFFAOYSA-N 258.285 -0.353 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)/C=C\C1CCOCC1 1118895601 VZEKKRCQWAWGJZ-IHWYPQMZSA-N 290.341 -0.839 50 20 CBGD Cc1c(NC(=O)C(=O)NNC(=O)C(C)(C)C)cnn1C 1254807500 LOSJDLMKGDCESG-UHFFFAOYSA-N 281.316 -0.139 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)c1n[nH]c(O)n1 1323105425 VZJWOEXDOHYPGL-UHFFFAOYSA-N 287.276 -0.940 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)C[C@H]1CCOC1 1323830431 RYJSYRDAZJRLPD-MRVPVSSYSA-N 252.274 -0.474 50 20 CBGD Cc1onc(CO)c1C(=O)NNC(=O)NC(C)C 1327080701 QTBZEBOISKDHGL-UHFFFAOYSA-N 256.262 -0.172 50 20 CBGD CNC(=O)CCCNC(=O)NNC(=O)c1cccc(F)n1 1327536254 ZOHGDFTZWOLHCT-UHFFFAOYSA-N 297.290 -0.309 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc[n+]([O-])cc1 1329540041 QWDPMCSVSOYEPZ-SCZZXKLOSA-N 265.269 -0.494 50 20 CBGD C[C@@H]1CC[C@H](C(=O)O)N1CC(=O)NNC(=O)C1CC1 1329602875 FGBNVDPPIMHRFI-VXNVDRBHSA-N 269.301 -0.519 50 20 CBGD C=C[C@@H](C)ONC(=O)NNC(=O)c1cnn(C)c1 1329645504 AZSOQIIHCNGPPO-SSDOTTSWSA-N 253.262 -0.130 50 20 CBGD O=C(c1ccc(-n2cnnn2)cc1)N1CC[C@H](B(O)O)C1 1331895546 MCGVVOVVMARVDY-JTQLQIEISA-N 287.088 -0.649 50 20 CBGD O=CN1CCC[C@H]1C(=O)NNC(=O)C1CCOCC1 1333518870 HWWMZBQHUHNMMD-JTQLQIEISA-N 269.301 -0.819 50 20 CBGD CN(NC(=O)c1cncc(-n2ccnn2)c1)C(N)=O 1340070151 UNGTVUGUJAFVQI-UHFFFAOYSA-N 261.245 -0.682 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1ccco1 1351666229 IWQAYNDDITYHFT-UHFFFAOYSA-N 260.271 -0.986 50 20 CBGD C[C@@H](C(=O)NNC(=O)[C@H]1CCN1)C(=O)OC(C)(C)C 1575068511 CVFWXIRPEQNRPV-JGVFFNPUSA-N 271.317 -0.527 50 20 CBGD CCn1ncc(C(=O)NNC(=O)CN)c1Br 1578363448 QKOIHSINXRNDTL-UHFFFAOYSA-N 290.121 -0.615 50 20 CBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)CCCCCN 1578839060 QHHUYXULFSCWAM-DTWKUNHWSA-N 271.317 -0.538 50 20 CBGD COC[C@H](N)C(=O)NNC(=O)COc1ccc(F)cc1 1579087035 UMNKAGBBZIEKIF-JTQLQIEISA-N 285.275 -0.674 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNc1ncc(F)cc1F 1593911270 JQKVSZNPQUAFES-LURJTMIESA-N 261.184 -0.098 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCO[C@H](C2CC2)C1 1608477557 LIDDPMHHVAVDQJ-SFYZADRCSA-N 271.273 -0.641 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cncc(OC)n1 276789259 JFADYDWXOZQJBE-UHFFFAOYSA-N 253.262 -0.209 50 20 CBGD CC(C)(C)[C@H](NC(N)=O)C(=O)NNC(=O)c1ccccn1 282641816 KLBFWWYWNJKPEN-SECBINFHSA-N 293.327 -0.074 50 20 CBGD O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NNc1cccnn1 365422402 RZXHJFWZSORKNF-GHMZBOCLSA-N 292.343 -0.034 50 20 CBGD CCNC(=O)NNC(=O)CCCN(C)C(=O)OC 491215941 RRCGVSOLVJBQIA-UHFFFAOYSA-N 260.294 -0.185 50 20 CBGD COC(=O)NCCC(=O)NNC(=O)CC(F)(F)F 491272984 ICVMHBWRNXKLIZ-UHFFFAOYSA-N 271.195 -0.168 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1cncnc1 495433157 COBXHEAILTWEFL-UHFFFAOYSA-N 295.299 -0.238 50 20 CBGD CC(C)[C@@]1(C(=O)Nc2cccc(B(O)O)c2)CNC(=O)C1 584910306 ALKVFWNHYYGDRT-AWEZNQCLSA-N 290.128 -0.533 50 20 CBGD CC(C)[C@H](CCO)NC(=O)c1ccc(B(O)O)cc1 584957374 GEWDNTPNLWQLNA-LBPRGKRZSA-N 265.118 -0.497 50 20 CBGD C[C@@H](CO[C@H]1CCOC1)NC(=O)c1ccc(B(O)O)cc1 584958271 PHPUREDQCUQHPJ-GWCFXTLKSA-N 293.128 -0.710 50 20 CBGD C=CCCN1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584985665 POQOBZSKHIHOAW-UHFFFAOYSA-N 288.156 -0.300 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@](F)(CO)C1 584989591 GVMNKTOSLPUMEL-CYBMUJFWSA-N 281.092 -0.697 50 20 CBGD CO[C@H]1COCC[C@H]1CNC(=O)c1cccc(B(O)O)c1 584997593 IBBNDEFRFREJDT-AAEUAGOBSA-N 293.128 -0.852 50 20 CBGD COCCCCN(C)C(=O)c1cccc(B(O)O)c1 585000726 OLYZCSLUNOCHJW-UHFFFAOYSA-N 265.118 -0.135 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2[C@@H]3COC[C@@H]3[C@H]2C1 585010750 YPGIBWFFFZNKIJ-XDQVBPFNSA-N 287.124 -0.669 50 20 CBGD OB(O)c1ccc(CNC[C@H]2CCC[C@@H](O)C2)o1 585025652 ZKOCGNSPEKOBKA-VHSXEESVSA-N 253.107 -0.400 50 20 CBGD OB(O)c1ccccc1CNCCCO[C@@H]1CCOC1 585031699 XMYBDSYFKQWCNF-CYBMUJFWSA-N 279.145 -0.348 50 20 CBGD CCNS(=O)(=O)CCNC(=O)NNc1ccccn1 731685596 UHOYRCZPSWVUPK-UHFFFAOYSA-N 287.345 -0.353 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](CCC(N)=O)C1 731850054 MJADASZAHRHZJC-MNOVXSKESA-N 298.387 -0.090 50 20 CBGD Cc1ccc(NCC(=O)NNC(=O)C2(C(N)=O)CC2)cc1 731867531 WMJNJLXPDNGLQD-UHFFFAOYSA-N 290.323 -0.180 50 20 CBGD CCN(CC)C(=O)CCC(=O)NNC(=O)C(=O)NC1CC1 755064497 RBWYTYYMYPCBSN-UHFFFAOYSA-N 298.343 -0.939 50 20 CBGD COc1ccc(NC(=O)NNC(=O)CO)c(OC)c1 755403554 FCBOZXYQBLUKKM-UHFFFAOYSA-N 269.257 -0.151 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cc([N+](=O)[O-])cn2C)cn1 762841398 HKHUJSRKRWGYLJ-UHFFFAOYSA-N 292.255 -0.258 50 20 CBGD O=C(NNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccn1 763258900 OQEABYYIILZWLA-UHFFFAOYSA-N 276.212 -0.212 50 20 CBGD CCc1nn(C)cc1C(=O)NNC(=O)C(C)(C)O 768243203 BMOVCJJJXJADCG-UHFFFAOYSA-N 254.290 -0.486 50 20 CBGD O=C(NNC(=O)c1cnn[nH]1)c1ccc(-c2nc[nH]n2)cc1 771321767 POTGQGRDMAMNKJ-UHFFFAOYSA-N 298.266 -0.335 50 20 CBGD COCC[C@@H]1COCCN1CC(=O)NNC(=O)C1CC1 812888420 YCVQQJGIFAPAMV-LLVKDONJSA-N 285.344 -0.719 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)o1 815475743 XAKJWGBFXRFTGH-UHFFFAOYSA-N 259.225 -0.122 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)c1c[nH]nc1C 826755650 ZFGPKQMMVYKXDT-QMMMGPOBSA-N 256.262 -0.859 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCO[C@H](C)[C@@H]1C 828061442 BZLMEMOKMFXHHG-VHSXEESVSA-N 257.334 -0.101 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCCN1C(=O)C1CC1 843864408 KZPAKGHIZAYDSH-VIFPVBQESA-N 283.328 -0.694 50 20 CBGD CC1=C(C(=O)NNC(=O)C(C)C)[C@H](C)n2nnnc2N1C 847290482 ZNOKQCAVQODRKZ-QMMMGPOBSA-N 293.331 -0.239 50 20 CBGD CC(C)(CO)C(=O)NNC(=O)Cc1cccnc1 847438209 BBUWTGWIHMLQCE-UHFFFAOYSA-N 251.286 -0.210 50 20 CBGD CO[C@@H](C)CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 852393696 HTHQTZLVBQBAFO-CIUDSAMLSA-N 259.306 -0.223 50 20 CBGD Cc1c(CC(=O)NNC(=O)N2CCN(C)CC2)cnn1C 854382994 RXBLELHDDFLQHH-UHFFFAOYSA-N 294.359 -0.741 50 20 CBGD CCOC(=O)[C@H](CC(=O)NN(C)C(=O)OC)C(C)=O 854409053 GGWINEGFVJQEQT-MRVPVSSYSA-N 274.273 -0.126 50 20 CBGD CCNC(=O)CCCC(=O)NN(C)C(=S)NC 854924158 QLVNTHNZJKAWNG-UHFFFAOYSA-N 260.363 -0.240 50 20 CBGD CCCN1CC[C@@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858620697 ZIJFFOANELCHOE-NXEZZACHSA-N 297.359 -0.920 50 20 CBGD CC(C)O[C@@H]1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858702197 DPSAHACOGJJCTC-NXEZZACHSA-N 298.343 -0.495 50 20 CBGD CON(C)C(=O)[C@H](C)NC(=O)NNC(=O)c1ccc(C)o1 858972441 ORTPZGUWSWLAHV-QMMMGPOBSA-N 298.299 -0.060 50 20 CBGD CC(C)[C@H](C(=O)NNC(=O)c1cn[nH]c1)N(C)C 862472074 UJFBJEMALLKPEI-SECBINFHSA-N 253.306 -0.243 50 20 CBGD Cc1nn(CCCl)c(C)c1C(=O)N1C[C@H](O)[C@@H](O)C1 862581151 HKHRNVZACKBPCV-UWVGGRQHSA-N 287.747 -0.084 50 20 CBGD CON(C)C(=O)[C@@H](C)NC(=O)/C(C#N)=C/c1cnn(C)c1 863709951 IOVVNHJBTKJESN-JTTRITNRSA-N 291.311 -0.148 50 20 CBGD CC(C)S(=O)(=O)CCNCc1cccc(B(O)O)c1 863890473 WHPZBNKYQKBZJF-UHFFFAOYSA-N 285.174 -0.721 50 20 CBGD CCNC(=O)N(C)NC(=O)/C=C/CN1CCOCC1 867278716 GMTBSGPVOJTICX-SNAWJCMRSA-N 270.333 -0.433 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCN(C)C2=O)cc1O 882050324 UBROSOJEKIMLGT-SNVBAGLBSA-N 291.307 -0.060 50 20 CBGD COc1nn(C)cc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C 883972727 SMVOXDJVPWMRKP-YUMQZZPRSA-N 282.300 -0.385 50 20 CBGD C[C@@]1(C(=O)NCc2nn[nH]n2)C[C@H]1Br 906649367 DNHOYKNZDVDJIP-CLZZGJSISA-N 260.095 -0.011 50 20 CBGD O=C(NN=C[C@@H]1CCOC1)N[C@H]1CCS(=O)(=O)C1 1115892709 ISAYCNCIHZVHSD-IUCAKERBSA-N 275.330 -0.505 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1ccc(C=O)cc1 1118895622 WYLYEUOYKZRQSK-UHFFFAOYSA-N 298.320 -0.766 50 20 CBGD NC(=O)c1cccc(C(=O)NNc2cccnn2)n1 1254590318 DJPTVQSOZIPHET-UHFFFAOYSA-N 258.241 -0.273 50 20 CBGD Cc1nnc(NNC(=O)CN2CCSC2=O)nc1O 1317741039 GRDPUIQOCFAEHI-UHFFFAOYSA-N 284.301 -0.502 50 20 CBGD Cn1cnc(S(=O)(=O)NNC(=O)Cc2cccnc2)c1 1318264707 FJUJRPYWEDXXQZ-UHFFFAOYSA-N 295.324 -0.633 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCN1CCC[C@H](C)C1 1318877055 ORPKLAOLVHXEOU-VIFPVBQESA-N 286.332 -0.778 50 20 CBGD COC(=O)C(=O)NNC(=S)NCCc1ccccc1 1318968260 JQGJIKYTUPMYGV-UHFFFAOYSA-N 281.337 -0.103 50 20 CBGD Cc1cc(=O)c(C(=O)NNC(=O)c2cnn(C)c2)c[nH]1 1319251879 NPKUHPPKIIJEQX-UHFFFAOYSA-N 275.268 -0.508 50 20 CBGD Cc1noc(C)c1CC(=O)NNc1ccc(C(N)=O)nn1 1319587576 JBVUZWUUEDZBPG-UHFFFAOYSA-N 290.283 -0.134 50 20 CBGD COc1ccc(NC(=O)C(=O)NNC(C)=O)c(C)n1 1321141122 WEVGMPQUCZOWRZ-UHFFFAOYSA-N 266.257 -0.496 50 20 CBGD O=C(CN1C(=O)CNC1=O)NNc1nc2ccccc2[nH]1 1323286670 YUPJUGNDIDUWEC-UHFFFAOYSA-N 288.267 -0.442 50 20 CBGD NC(=O)c1ccc(NNC(=O)c2ccnc(F)c2)nn1 1323770594 MSIGNHWTBNWQSY-UHFFFAOYSA-N 276.231 -0.134 50 20 CBGD CCNC(=O)N(C)NC(=O)CCCCCS(N)(=O)=O 1327296463 HOODEPPRFBYAFH-UHFFFAOYSA-N 294.377 -0.472 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCN([C@@H]2CCOC2)CC1 1327866415 XCOVKGIJDNFBGG-NWDGAFQWSA-N 298.387 -0.661 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NNc1ncncc1F 1328147618 QLWDZVLJYCGCHI-RQJHMYQMSA-N 298.278 -0.302 50 20 CBGD COCCOCC(=O)NNC(=O)C1CCC(O)CC1 1329608390 MDTCFXNSLFSERC-UHFFFAOYSA-N 274.317 -0.652 50 20 CBGD Cc1ncoc1C(=O)NNC(=O)N1CCOCC1 1330677883 LZFJIFTWAMFIJN-UHFFFAOYSA-N 254.246 -0.330 50 20 CBGD COC(=O)C[C@H](O)CNC(=O)/C(C#N)=C\c1cnn(C)c1 1335347795 JAHKLWBJDQGYQQ-CGXZDELUSA-N 292.295 -0.633 50 20 CBGD Cc1nc(CC(=O)NNC(=O)CC(F)(F)F)n[nH]1 1351034106 ASKKSHUZBIDWDD-UHFFFAOYSA-N 265.195 -0.245 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1C[C@]12CCNC2 1574334649 SQRKVVDPHYSCII-GWCFXTLKSA-N 275.312 -0.344 50 20 CBGD CC(C)C(=O)NNC(=O)C1(C2(O)CNC2)CCC1 1575397639 CVDYAHSUGHYYTB-UHFFFAOYSA-N 255.318 -0.706 50 20 CBGD CC1(C)CCCN[C@H]1C(=O)NNC(=O)CN1CCCC1=O 1576439337 BNXREUIGJGARRT-LBPRGKRZSA-N 296.371 -0.466 50 20 CBGD CNc1cnc(C(=O)NNC(=O)CCCCCN)cn1 1578764433 WJFLNSIZBNCGKU-UHFFFAOYSA-N 280.332 -0.202 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CC[C@H]1C(=O)O 1589415643 KJJHKMRNLZGODR-FNCVBFRFSA-N 270.285 -0.330 50 20 CBGD C[C@@]1(C(=O)NNC(=S)NCCCC(=O)O)CCCO1 1593754824 CNGRBTGNYNILLJ-NSHDSACASA-N 289.357 -0.084 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)[C@H]1CC[C@H]1C(=O)O 1594782727 IXDWPVQRSFPXKB-DJLDLDEBSA-N 270.285 -0.186 50 20 CBGD O=C(Cc1ccc(C(=O)O)nc1)NNC(=O)NC1CC1 1601358151 JFCSYTAOORCXEI-UHFFFAOYSA-N 278.268 -0.185 50 20 CBGD O=C(NCCOC1CCSCC1)NNC(=O)C(=O)O 1601503967 XCTDMUUMIRCDLT-UHFFFAOYSA-N 291.329 -0.686 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1coc(/C=C\C(=O)O)c1 1602953655 GUAUSZVVCBYBNX-ARJAWSKDSA-N 282.252 -0.091 50 20 CBGD CN1CCC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1604862731 RHKZCSVTCVQWOR-VIFPVBQESA-N 288.315 -0.201 50 20 CBGD CCOCC(=O)NNC(=O)NCC(C)(C)CC(=O)O 1605619114 UVAFQOBSNJPLPF-UHFFFAOYSA-N 275.305 -0.146 50 20 CBGD O=C(O)c1ccc(NNC(=O)[C@@]2(O)CCOC2)nc1 1608904569 YXNAGHAOEPHUMZ-LLVKDONJSA-N 267.241 -0.626 50 20 CBGD CO[C@H]1CCN(CC(=O)NNC(=O)C2CC2)[C@H](C(=O)O)C1 1610236620 GJUBZTLWTGQMKJ-UWVGGRQHSA-N 299.327 -0.892 50 20 CBGD O=C(O)C(=O)NN=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 1610714672 XZGDIRBHHHOQOT-UHFFFAOYSA-N 295.207 -0.099 50 20 CBGD C[C@@H](O)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1846169122 WIOUJSNWRUWFEK-RKDXNWHRSA-N 290.747 -0.830 50 20 CBGD NC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccccn2)C1 7751666 LHGANWOYCNZNBR-SECBINFHSA-N 291.311 -0.367 50 20 CBGD NC(=O)[C@@H]1CCCN1S(=O)(=O)CCCCl 36881954 ZNFSGTLQEUQJIA-ZETCQYMHSA-N 254.739 -0.105 50 20 CBGD CN(C)CC(=O)NNC(=O)CNC(=O)CCC1CCCC1 113423733 FFJYETJCHWXBMS-UHFFFAOYSA-N 298.387 -0.218 50 20 CBGD O=C(CO)NNC(=O)c1cncn1-c1ccc(F)cc1 182759771 YXKSOUBOTJRRTR-UHFFFAOYSA-N 278.243 -0.235 50 20 CBGD CCOc1ccc(C(=O)NNC(=O)CO)cc1OC 270793381 XONZLFLINBDSIF-UHFFFAOYSA-N 268.269 -0.153 50 20 CBGD Cc1nc(C(=O)NNC(=O)N2CCN(C)CC2)c[nH]1 278663162 PMWOAYYLEVYCIF-UHFFFAOYSA-N 266.305 -0.680 50 20 CBGD CO[C@@](C)(C(=O)NNC(=O)c1cnn(C)c1)C1CC1 291657205 IVFSQMIENXTRBQ-GFCCVEGCSA-N 266.301 -0.004 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1CCc2n[nH]cc2C1 584913391 VKOBLTIIRRIUPD-VIFPVBQESA-N 285.112 -0.167 50 20 CBGD COC[C@@H](C)CNC(=O)c1ccc(B(O)O)c(F)c1 584935485 MDNWJTZSEBQERU-QMMMGPOBSA-N 269.081 -0.482 50 20 CBGD O=C(NCC1CCOCC1)c1cccc(B(O)O)c1 584937921 ZXJQSJPTESGKAO-UHFFFAOYSA-N 263.102 -0.477 50 20 CBGD CC1(O)CCN(C(=O)c2cccc(B(O)O)c2)CC1 584962048 HDCIKPKAGCVFQX-UHFFFAOYSA-N 263.102 -0.647 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)CC[C@@H]1O 584973047 DAVQHEFYEBJXFG-CABZTGNLSA-N 263.102 -0.791 50 20 CBGD C[C@@H](CNCc1cccc(B(O)O)c1)CN1CCOCC1 585025426 UHDDEGLGYNECOB-ZDUSSCGKSA-N 292.188 -0.576 50 20 CBGD CC(C)(C)N1C[C@@H](NCc2cccc(B(O)O)c2)CC1=O 585025893 GEYKSEPDOLYXLX-ZDUSSCGKSA-N 290.172 -0.145 50 20 CBGD Cc1nnsc1CNCc1ccc(B(O)O)cc1 585043008 JEMKGKMPHLXSQS-UHFFFAOYSA-N 263.131 -0.184 50 20 CBGD OC[C@@H](CC1CCC1)NCc1ccc(B(O)O)o1 585043374 NWOHEHKMWWKBBP-SNVBAGLBSA-N 253.107 -0.400 50 20 CBGD COCCOCc1cc(C(=O)NCB(O)O)ccc1F 585059835 CLYVFBOWCGFDNU-UHFFFAOYSA-N 285.080 -0.270 50 20 CBGD O=C(NCB(O)O)[C@@H](c1ccccc1F)N1CCOCC1 585060343 DZDHLJOTWDLUHD-GFCCVEGCSA-N 296.107 -0.673 50 20 CBGD O=C(NCB(O)O)c1ccc(C(=O)c2cc[nH]c2)cc1 585060370 PMYNHBPGPIIJOI-UHFFFAOYSA-N 272.069 -0.013 50 20 CBGD CCCNC(=O)NNC(=O)CN1CCCCC1=O 729344310 BDHRVYGBNYCZSF-UHFFFAOYSA-N 256.306 -0.261 50 20 CBGD CCCCNC(=S)NNC(=O)[C@H]1CCS(=O)(=O)C1 730595970 BNZZPEKNOKZVIW-QMMMGPOBSA-N 293.414 -0.284 50 20 CBGD CCCC[C@@H](NC(N)=O)C(=O)NNC(=O)c1c[nH]nc1C 731879644 SIUMVMTUWMNVFD-SECBINFHSA-N 296.331 -0.294 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCO[C@@H](C#N)C1 732201525 DZQFJHDSAPUOFJ-IUCAKERBSA-N 254.290 -0.843 50 20 CBGD N=C1NC(=O)[C@H](CC(=O)NNc2ncccn2)S1 742520592 AVXUCKQWAOCXMM-YFKPBYRVSA-N 266.286 -0.524 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)c1nccnc1C(N)=O 746014403 CYOXRDWXLXXWCW-UHFFFAOYSA-N 299.290 -0.041 50 20 CBGD C[C@@H]1OCCC1=NNC(=O)C(=O)NN=C1CCO[C@H]1C 747736914 SISVWMNKRFKZOU-YUMQZZPRSA-N 282.300 -0.452 50 20 CBGD CCC[C@H](O)CC(=O)NNC(=O)CNC(=O)c1ccco1 750275704 GKBCKNKGHQNBLJ-VIFPVBQESA-N 297.311 -0.292 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=O)c1cccn1C 754977587 PSUJHZUVBHPEMX-NSHDSACASA-N 255.274 -0.817 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(C)c1 764296277 XGESCTCAIJTMQE-UHFFFAOYSA-N 265.269 -0.273 50 20 CBGD CC(C)n1nccc1C(=O)NNC(=O)C(=O)N1CCCC1 765350945 QJLQDYMPVQZGEJ-UHFFFAOYSA-N 293.327 -0.153 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H](C)[C@@H]1CN(C)CCO1 770436888 BKRMBZILCKDTFX-ZJUUUORDSA-N 288.348 -0.928 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCOC1 772090251 XPOJEFZTEKXUTI-IUCAKERBSA-N 272.301 -0.098 50 20 CBGD CC(=O)NNC(=O)c1cnc2sc(C)cn2c1=O 772906691 NXTLBGDMOBUZCY-UHFFFAOYSA-N 266.282 -0.155 50 20 CBGD CN(NC(=O)C(C)(C)S(=O)(=O)C1CC1)C(N)=O 786507901 XJZNNGJALZOWPX-UHFFFAOYSA-N 263.319 -0.616 50 20 CBGD CC(C)[C@@H](C(=O)NNC(=O)C(C)(C)O)N1CCCC1=O 787951205 PYSKJNDYHKZJJK-JTQLQIEISA-N 285.344 -0.448 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccn(CC(F)F)n2)cn1 789955035 FNFAYHWPFGLWFO-UHFFFAOYSA-N 298.253 -0.044 50 20 CBGD O=C(CC1OCCO1)NNC(=O)NCc1ccco1 793206749 JERNOTCURHQARF-UHFFFAOYSA-N 269.257 -0.127 50 20 CBGD COc1cccc(CCC(=O)NNC(=O)CO)c1F 807196357 UBBJNOWVFKSQGN-UHFFFAOYSA-N 270.260 -0.093 50 20 CBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)N2CCN(C)CC2)CCO1 807383342 VQMQQOKLWGPLBW-MNOVXSKESA-N 284.360 -0.210 50 20 CBGD O=C(NNC(=O)[C@H]1CCCSC1)C(=O)N1CCCC1 810275311 MDAIDPVUQQWQEY-VIFPVBQESA-N 285.369 -0.101 50 20 CBGD COC[C@@H](C)[C@@H](C)C(=O)NNc1ccc(C(N)=O)nn1 812532255 MVQFQKUGMRSTAN-HTQZYQBOSA-N 281.316 -0.063 50 20 CBGD CCNC(=O)NNC(=O)c1cnc2[nH]c(O)nc2c1 813424466 OFYPJOSIQGYWRG-UHFFFAOYSA-N 264.245 -0.373 50 20 CBGD COCCN(C)NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 816561870 OTAIWCSUYQDTEG-SECBINFHSA-N 281.316 -0.628 50 20 CBGD CC(C)S(=O)(=O)CC(=O)NNc1ncncc1F 817078490 HBMNLIMFTDIWFY-UHFFFAOYSA-N 276.293 -0.118 50 20 CBGD CCOC(=O)/C(C#N)=C\NNC(=O)c1cnccn1 818235425 PONLVZJRCHWFQL-VURMDHGXSA-N 261.241 -0.318 50 20 CBGD CCO/C=C(/C#N)C(=O)N(CCN(C)C)CC(=O)O 820377849 LSHUHWYKCKLQHX-KTKRTIGZSA-N 269.301 -0.095 50 20 CBGD COCC(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1 821680417 ILIBTTOSAKELAM-UHFFFAOYSA-N 260.257 -0.037 50 20 CBGD CCC[C@@H](OC)C(=O)NNC(=O)N1CCOCC1 822854410 MEEFKGFBAGIUDL-SECBINFHSA-N 259.306 -0.126 50 20 CBGD CC(C)[C@@H](NC(=O)O)C(=O)NNc1nccn(C)c1=O 824136948 NDUDKVHLUJRBNA-SSDOTTSWSA-N 283.288 -0.484 50 20 CBGD O=C(NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1)c1cnn[nH]1 833149440 QKGVOQCZESMCPM-BQBZGAKWSA-N 281.272 -0.543 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1 843971299 BXEBVCIWIZBFGE-JGVFFNPUSA-N 269.301 -0.915 50 20 CBGD CCN(CC)CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843979642 PSCNCGCWVKNQBG-ZJUUUORDSA-N 257.334 -0.099 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H]2NC(=O)CC[C@H]2C1 852497933 XWJJLEHJXLWSTL-DCAQKATOSA-N 296.371 -0.467 50 20 CBGD COCCCNC(=O)NN=C(C)Cn1cncn1 853295963 XUGIDYQOWYSPBG-UHFFFAOYSA-N 254.294 -0.010 50 20 CBGD Cn1cc(C(=O)NN=Cc2nnn(C(C)(C)C)n2)cn1 853309098 GRTFJIOUFYSGNC-UHFFFAOYSA-N 276.304 -0.075 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CCCN1C=O 854287750 MQHPWTCTWOHIAV-JTQLQIEISA-N 264.285 -0.593 50 20 CBGD CCc1ccc(CC(=O)NNC(=O)C(=O)NC(C)C)nc1 854290924 JTFGKBBCXMUBGH-UHFFFAOYSA-N 292.339 -0.142 50 20 CBGD O=C1N[C@H](C(=O)NNC(=O)c2ccccn2)CCO1 858092212 SNVNYQRVUISORM-QMMMGPOBSA-N 264.241 -0.659 50 20 CBGD CC[C@@](C)(CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)OC 858514303 PONLZCNIUJEDOC-UFBFGSQYSA-N 286.332 -0.590 50 20 CBGD CC(C)[C@H](F)C(=O)NNC(=O)CS(C)(=O)=O 863465212 XJWGGZSJGCTRND-ZETCQYMHSA-N 254.283 -0.828 50 20 CBGD Cc1cc(NNC(=O)CN2CC(=O)N(C)C2=O)ncn1 863875424 WCCDPFLDCVMOPW-UHFFFAOYSA-N 278.272 -0.878 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCO[C@H]2C[C@H]21 863882123 IOLKDEWIDRCNOD-MNOVXSKESA-N 265.049 -0.881 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@@H]1CCCNC1=O 865016156 XVIOKUDVZIVCQC-MRVPVSSYSA-N 254.290 -0.747 50 20 CBGD CC[C@@H](C(=O)NNC(=O)C1CCOCC1)N(C)C 883065568 OUPZJSKYPMPWRT-JTQLQIEISA-N 257.334 -0.099 50 20 CBGD CCOCC(=O)NNC(=O)NCCN1CCC[C@H]1C 897481689 HQWBGWHYQNYQHQ-SNVBAGLBSA-N 272.349 -0.162 50 20 CBGD CCN1CCC[C@H]1CNC(=S)NNC(=O)c1ncon1 899575842 VBKNIBIYKINLBI-QMMMGPOBSA-N 298.372 -0.337 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CN(C)[C@H]1CCSC1 910160498 JACSAXSGTCKVOX-ZJUUUORDSA-N 261.391 -0.233 50 20 CBGD Cn1cc(C=NNC(=O)C(C)(C)C)c(=O)n(C)c1=O 915966426 IUNCNDWKKFHXLB-UHFFFAOYSA-N 266.301 -0.420 50 20 CBGD CCNC(=O)NNC(=O)CCOC[C@@H]1CCCO1 920858462 NKPOZHAHMPRYNX-VIFPVBQESA-N 259.306 -0.078 50 20 CBGD CCCNC(=O)NNC(=O)CCn1ccccc1=O 921039236 LIYVVNVRPIUNSV-UHFFFAOYSA-N 266.301 -0.021 50 20 CBGD C[C@]1(CNC(=O)Cn2ncnn2)C[C@H]1Br 1121227387 TYOCRBSUAIVJST-HTRCEHHLSA-N 274.122 -0.037 50 20 CBGD CCN(CC)CCCNC(=O)NNC(=O)C(=O)OC 1252438834 SKFGIRIXWVATHP-UHFFFAOYSA-N 274.321 -0.778 50 20 CBGD Cc1nnc(O)c(C(=O)NN(C)[C@@H](C)CO)c1C 1261911316 ZOTTVDJMVZUPGV-LURJTMIESA-N 254.290 -0.244 50 20 CBGD CCS(=O)(=O)CC(=O)NNC(=S)NC(C)C 1318026427 XYQHINWXSBMPGJ-UHFFFAOYSA-N 267.376 -0.675 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNc1nnc(C)c(O)n1 1318076276 VXIOYLNKJISGHB-RXMQYKEDSA-N 268.277 -0.757 50 20 CBGD Cc1noc(CNC(=O)NNC(=O)Cc2ccncc2)n1 1319093561 RAECMUMYASFBLD-UHFFFAOYSA-N 290.283 -0.154 50 20 CBGD Cc1nnc(NNC(=O)c2ccc(C#N)[nH]2)nc1O 1319598535 QGEFLGNFQQCWDY-UHFFFAOYSA-N 259.229 -0.158 50 20 CBGD COc1cc(C(=O)NNC(C)=O)ccc1OCC(N)=O 1320388303 BYNTZWUWLHMUMT-UHFFFAOYSA-N 281.268 -0.660 50 20 CBGD CSc1ccncc1NC(=O)C(=O)NNC(C)=O 1320510981 WPZIHAYCMPFJDS-UHFFFAOYSA-N 268.298 -0.091 50 20 CBGD Cn1ccc(NNC(=O)c2cnc3c(c2)nnn3C)n1 1321106436 ZTXAMHQLHMECMR-UHFFFAOYSA-N 272.272 -0.146 50 20 CBGD C/C=C(\C)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1322375933 KAZXYSTXTOHOAS-HOOMWESVSA-N 275.330 -0.530 50 20 CBGD C[C@H]1COCC[C@@H]1CNC(=O)NNC(=O)C(=O)NC1CC1 1323840696 PFPNYEPWAKXEFF-DTWKUNHWSA-N 298.343 -0.732 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C1CCC(O)CC1 1324953338 KFVIYBWASYJGJB-UHFFFAOYSA-N 271.317 -0.791 50 20 CBGD COC(=O)CC1CC(=NNC(=O)[C@H]2CCC(=O)N2)C1 1329190299 FUFBCTLFKBOPKZ-NHSZFOGYSA-N 267.285 -0.290 50 20 CBGD CO[C@]1(C=NNC(=O)[C@H]2CCC(=O)N2)CCOC1 1329556157 FFPBIXDEXXTKGE-KCJUWKMLSA-N 255.274 -0.828 50 20 CBGD C[C@H](CO)N(C)NC(=O)Cn1nc2n(c1=O)CCCCC2 1329863198 XITLXZOBNFKNSM-SNVBAGLBSA-N 297.359 -0.885 50 20 CBGD O=C1CC[C@H](C(=O)NN=Cc2cnc3cnccn23)N1 1330141877 FZDQUULEOBUWRB-SECBINFHSA-N 272.268 -0.542 50 20 CBGD Cn1nncc1NNC(=O)c1ccc(-n2cnnn2)cc1 1330426118 ZXJMYHOZAQPONV-UHFFFAOYSA-N 285.271 -0.452 50 20 CBGD O=C(Cc1cncs1)NNC(=O)[C@@H]1CCC(=O)N1 1348386409 GKPZOFVEIVGUIM-ZETCQYMHSA-N 268.298 -0.888 50 20 CBGD N#CC1=CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 1417683099 GGEOMKZRUHMNRV-UHFFFAOYSA-N 284.279 -0.247 50 20 CBGD Nc1ncc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)cn1 1549320750 NULKDFOYJUSRTN-QWRGUYRKSA-N 290.327 -0.628 50 20 CBGD O=C(NNC(=O)[C@@]12CNC[C@@H]1CCO2)C1CCCC1 1580735755 DPYHEKFDGYQWDN-GXFFZTMASA-N 267.329 -0.298 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CC[C@H](C(=O)O)C1 1589416786 QQCZLHHDPSNEOX-UTINFBMNSA-N 299.327 -0.005 50 20 CBGD CCNC(=O)CC(=O)NNc1ncccc1C(=O)O 1589883474 DGEDAXNCKLNCKQ-UHFFFAOYSA-N 266.257 -0.251 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)N2CCOC[C@@H]2C(=O)O)cn1 1600945629 IGGZOBORLCFUHA-LLMHMKPQSA-N 290.279 -0.361 50 20 CBGD O=C(Cc1ccc(C(=O)O)nc1)NNC(=O)c1ncon1 1601358772 QQPKYACGECUHQB-UHFFFAOYSA-N 291.223 -0.834 50 20 CBGD CC1(C)CC[C@@H](CNC(=O)NNC(=O)C(=O)O)O1 1604525886 MCWLKHXJXKVVJX-LURJTMIESA-N 259.262 -0.641 50 20 CBGD CN(C)CC(=O)NN=Cc1ccc(C(=O)O)n1C 1610099918 ZNCRFSLGWWCSRR-UHFFFAOYSA-N 252.274 -0.265 50 20 CBGD C[C@@H](CC(=O)NNC(=O)CN(C)C)NC(=O)C1CCCC1 113426966 SBAVQUHLGUXBPY-JTQLQIEISA-N 298.387 -0.220 50 20 CBGD O=C(NCc1ccoc1)NNC(=O)C(=O)N1CCCC1 195016336 NSGYLACWOZFQKK-UHFFFAOYSA-N 280.284 -0.268 50 20 CBGD C[C@@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)c1cnn(C)c1 265330704 NVKKPUFOYJMXOK-KOLCDFICSA-N 296.327 -0.235 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)Cc2ccnn2C)O1 294209688 LOIXMAHTVFOBQE-WPRPVWTQSA-N 266.301 -0.323 50 20 CBGD CN(C/C=C/C(=O)NNC(=O)C(C)(C)O)CC(F)(F)F 492926742 PQUGARIDTWWIBQ-SNAWJCMRSA-N 297.277 -0.045 50 20 CBGD C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NNC(=O)CO 495049914 RSDCULFMJHCBKE-QMMMGPOBSA-N 289.332 -0.371 50 20 CBGD O=C(NC[C@H]1CCCO1)c1ccc(B(O)O)c(F)c1 584923225 DXQMLBNWPOJUFI-SECBINFHSA-N 267.065 -0.586 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCN(C(=O)C2CC2)C1 585000706 NWEGQUYRUHLESH-UHFFFAOYSA-N 288.112 -0.982 50 20 CBGD O=C(NCC[C@]1(O)CCCOC1)c1cccc(B(O)O)c1 585004744 LZQGZTVWRGSYLW-CQSZACIVSA-N 293.128 -0.972 50 20 CBGD OB(O)c1cccc(CNC[C@H]2CN3CCC[C@H]3CO2)c1 585022552 QDFBHMGSZXWVEA-GJZGRUSLSA-N 290.172 -0.681 50 20 CBGD OB(O)c1ccc(CNCCO[C@@H]2CC2(F)F)o1 585047858 WOFSXHMVAUZYKE-MRVPVSSYSA-N 261.033 -0.527 50 20 CBGD CCc1ccccc1N1C[C@H](C(=O)NCB(O)O)CC1=O 585058421 FOCNQLGLWDHXCU-LLVKDONJSA-N 290.128 -0.270 50 20 CBGD O=C(NCB(O)O)[C@H]1CC(c2cccc(F)c2)=NO1 585061443 SHTQXQAHQJNPSW-SNVBAGLBSA-N 266.037 -0.553 50 20 CBGD O=C(NNC(=O)C1(C(=O)NC2CC2)CC1)C1CCC1 732142597 YYGXSQOZNZNURY-UHFFFAOYSA-N 265.313 -0.007 50 20 CBGD CCS(=O)(=O)CC(C)=NNC(=O)CN1CCCC1=O 733744518 KREBLIKPVWLATG-UHFFFAOYSA-N 289.357 -0.464 50 20 CBGD N#Cc1ccc(S(=O)(=O)NNC(=O)O)c([N+](=O)[O-])c1 738434735 MXJAZIKLGOTUGP-UHFFFAOYSA-N 286.225 -0.073 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCc2nn[nH]c2C1 759532292 UORSNDMQSQYETP-ZETCQYMHSA-N 266.305 -0.891 50 20 CBGD COC(=O)[C@]1(C)CCN(CC(=O)NNC(=O)C2CC2)C1 759782810 FBZDUMQMXVSZPO-CYBMUJFWSA-N 283.328 -0.571 50 20 CBGD Cn1ccnc(NC(=O)NNC(=O)C(C)(C)C)c1=O 760946773 DCCLMZCHNRZKPD-UHFFFAOYSA-N 267.289 -0.021 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](O)C(C)(C)C 764633649 QZVULFOKSBUMOY-ZETCQYMHSA-N 259.306 -0.935 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=CC[C@@H]1CCOC1 765570798 BQTJRFUXTXAZDH-RKDXNWHRSA-N 277.346 -0.547 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1cccc2cc[nH]c12 773497624 VYOOXOHVIKCYFY-UHFFFAOYSA-N 276.252 -0.754 50 20 CBGD COCCn1cc(NC(=O)NNC(=O)CN(C)C)cn1 775533756 OUFIKWAYHDJOCJ-UHFFFAOYSA-N 284.320 -0.756 50 20 CBGD C=C[C@H](NNC(=O)[C@H](C)OCCOC)C(=O)OC 799978500 IAPLOBCJZXTDAD-IUCAKERBSA-N 260.290 -0.614 50 20 CBGD CCN1CCO[C@H](C(=O)NNc2ncncc2F)C1 817077579 IVXGVDOFIUXNBH-VIFPVBQESA-N 269.280 -0.221 50 20 CBGD CCN(CCO)NC(=O)c1ccn(CCOC)n1 823879307 KJCOVMIEORURBU-UHFFFAOYSA-N 256.306 -0.512 50 20 CBGD O=C(NN=c1cc[nH]cc1)c1c[nH]c(-c2nn[nH]n2)c1 826449326 MPJJQBOSXWMVBR-UHFFFAOYSA-N 270.256 -0.231 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(=O)n1C 843659010 GYXUUTVMBFFCIV-BDAKNGLRSA-N 279.296 -0.429 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCCNC(=O)C1CC1 843976318 XTJYULPDXZHIOJ-GXSJLCMTSA-N 297.355 -0.135 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnn2ncccc12 857105561 NINSOKJFLUJREN-UHFFFAOYSA-N 262.273 -0.948 50 20 CBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)NCc1ccco1 858781928 KPCMWHSRBVZMQA-JTQLQIEISA-N 282.300 -0.119 50 20 CBGD CS(=O)(=O)N1CCC[C@H](C(=O)NN=c2cc[nH]cc2)C1 860676157 PMWKJKWHNSTKGK-JTQLQIEISA-N 298.368 -0.382 50 20 CBGD CCCCSCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862450759 ALZWFKAUCHCBFD-MRVPVSSYSA-N 273.358 -0.054 50 20 CBGD C#CC[C@H](NCc1ccccc1B(O)O)C(=O)OC 863889667 HIOLOMBVTXDOAP-LBPRGKRZSA-N 261.086 -0.979 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@]1(C)C[C@H](OC)CN1 876884918 MEMRSJKKYWJTLR-KWQFWETISA-N 258.322 -0.554 50 20 CBGD C[C@]1(C(=O)NCC(=O)NCCO)C[C@H]1Br 907009802 QRABPOLDACPMRQ-MUWHJKNJSA-N 279.134 -0.615 50 20 CBGD C[C@@H](O)CN(C)NC(=O)/C(C#N)=C/c1cnn(C)c1 910145242 RMQACMZOHGHKKI-VMDVGJCFSA-N 263.301 -0.329 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H](O)c1ccccc1 913730673 DXXPDWCAMPOHDL-ZDUSSCGKSA-N 291.307 -0.510 50 20 CBGD CN(CC(=O)NNC(=O)CN1CCCC1=O)CC(C)(C)C 913733285 CXRBKLIFBZLZJF-UHFFFAOYSA-N 298.387 -0.266 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCCC1 920299321 ACNRDPFZWZFPQR-SSDOTTSWSA-N 277.346 -0.738 50 20 CBGD CC(=O)N1CC[C@@](C)(C(=O)N2CC[C@H](B(O)O)C2)C1 1118976701 ZAJQKEJSGHVNTG-CMPLNLGQSA-N 268.122 -0.680 50 20 CBGD C[C@@H](C#N)CNC(=O)NNC(=O)C(=O)N1CCCC1 1319978474 KPQPHTUEESFVHT-QMMMGPOBSA-N 267.289 -0.901 50 20 CBGD C[C@H]1C[C@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)CO1 1320589260 IYQJPHWEIFPMCN-BQBZGAKWSA-N 292.299 -0.063 50 20 CBGD COC1(C=NNC(=O)C(=O)NC2CC2)CCOCC1 1321134765 IULJWDLCSQJVMQ-UHFFFAOYSA-N 269.301 -0.437 50 20 CBGD Cc1nnc(CC(=O)NNC(=S)NC(C)C)o1 1326048530 MKIVFQOMRKRDFS-UHFFFAOYSA-N 257.319 -0.176 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCC[C@@H](F)C2)N1 1328800293 QXKDNZBNPIXWOM-IWSPIJDZSA-N 286.307 -0.124 50 20 CBGD Cc1nc(CC(=O)NNC(=S)NC(C)C)n[nH]1 1333767093 RJPLNPWKHJGWFH-UHFFFAOYSA-N 256.335 -0.441 50 20 CBGD C[S@](=O)CCNC(=O)NNC(=O)Cc1cccnc1 1339173473 OTALNCXRABPGIQ-IBGZPJMESA-N 284.341 -0.667 50 20 CBGD C[C@]1(C(=O)NNC(=O)C2CCOCC2)CCNC1=O 1339912758 GMRKFEJMDPJSBA-LBPRGKRZSA-N 269.301 -0.913 50 20 CBGD O=C(NNc1cccnn1)[C@@H]1CCCS1(=O)=O 1346463619 NTHIKWCEJVWTIL-ZETCQYMHSA-N 256.287 -0.503 50 20 CBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)[C@H]1CCCCO1 1348695710 LGHKSAOLPGJGDL-GRYCIOLGSA-N 296.371 -0.909 50 20 CBGD COCCOCC(=O)NNC(=O)Cc1cnn(C)c1C 1348741319 JRIWPTURECOBIV-UHFFFAOYSA-N 284.316 -0.919 50 20 CBGD CN1CCC(C(=O)NNC(=O)C2CCOCC2)CC1 1350849839 CCCIEKJLXWMNIN-UHFFFAOYSA-N 269.345 -0.098 50 20 CBGD CCN(CCO)NC(=O)CN1CCC(CO)CC1 1353728746 WDUQWABFAUGRKI-UHFFFAOYSA-N 259.350 -0.964 50 20 CBGD CC[C@@H](NC)C(=O)NNC(=O)[C@H]1CCN1C1CCOCC1 1577172120 LAKYIOSBXUNVJF-VXGBXAGGSA-N 298.387 -0.615 50 20 CBGD N#CC1(CC(=O)NNC(=O)[C@H]2CCN2)CCOCC1 1580038485 NUELFPGXOVPXCA-SECBINFHSA-N 266.301 -0.794 50 20 CBGD NCC12CCC(CC1)N2C(=O)NNC(=O)c1cnsn1 1580248239 VMTRMCQOFISOBN-UHFFFAOYSA-N 296.356 -0.152 50 20 CBGD C[C@H](CC(=O)NNc1ncccc1C(=O)O)NC(N)=O 1588988837 MFPFOTSXCZVUAX-ZCFIWIBFSA-N 281.272 -0.330 50 20 CBGD Cc1c(-c2nn[nH]n2)c(=O)n(C/C=C/C#N)c(=O)n1C1CC1 1591794110 YWMUGAKNLWRKAE-NSCUHMNNSA-N 299.294 -0.087 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@@H](C)CC(=O)O 1592391248 FULVCPGDBOZSEL-SSDOTTSWSA-N 273.289 -0.841 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)O)n1 1596663521 UUDSURLHZWIABG-UHFFFAOYSA-N 296.239 -0.504 50 20 CBGD COC[C@H](NC(=O)NNC(=O)C(=O)O)c1ccco1 1599172930 FWTLOLBDHDCKKC-LURJTMIESA-N 271.229 -0.618 50 20 CBGD C=CCNC(=S)NNC(=O)CN1CSCC1=O 61480041 CTBSCCSPULFEBC-UHFFFAOYSA-N 274.371 -0.799 50 20 CBGD CCn1c(=O)n(CC(=O)NNC(C)=O)c2ccccc21 73070128 PQHHKTMGIYNAGQ-UHFFFAOYSA-N 276.296 -0.010 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)c2ccc(C)o2)CC1 84373924 ATJROCOHEJZRFF-UHFFFAOYSA-N 265.269 -0.125 50 20 CBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccon2)C[C@@H](C)O1 111543990 BIGFYMAHTMYWMI-AOOOYVTPSA-N 296.327 -0.065 50 20 CBGD Cn1cnn(CC(=O)NNc2cccc(F)c2)c1=O 182600577 MLJWLCIEEJIYMS-UHFFFAOYSA-N 265.248 -0.136 50 20 CBGD CSCCNC(=S)NNC(=O)[C@H]1CCCC(=O)N1 271400657 KFQULOABTWHROL-SSDOTTSWSA-N 290.414 -0.487 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)[C@H]1CC[C@H](C(N)=O)O1 279528618 BVHRRYXLZPGJLQ-RNFRBKRXSA-N 273.289 -0.425 50 20 CBGD COC(=O)Cc1cccc(S(=O)(=O)NNC(C)=O)c1 290420762 ABRWVZOKNJQPHZ-UHFFFAOYSA-N 286.309 -0.269 50 20 CBGD CC(=O)NCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 298292931 ZXUDQFMGDBSWGM-NSHDSACASA-N 293.279 -0.890 50 20 CBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NN(C)C(N)=O)C2 496963964 RJPWXVUKPABKCV-YIZRAAEISA-N 282.300 -0.329 50 20 CBGD COC(=O)N(C)NS(=O)(=O)N1CCCCC1 497022620 OVVYRONTZWEZMC-UHFFFAOYSA-N 251.308 -0.080 50 20 CBGD CC(C)[C@H](O)C1(CNC(=O)c2ccc(B(O)O)cc2)CC1 584971755 ZLLZGPLRYQUGFA-ZDUSSCGKSA-N 291.156 -0.107 50 20 CBGD CO[C@@H]1COCC[C@@H]1CNC(=O)c1ccc(B(O)O)cc1 584998530 REGSYUNKFRVNLZ-DGCLKSJQSA-N 293.128 -0.852 50 20 CBGD C[C@H]1[C@@H](CO)CCCN1C(=O)c1cccc(B(O)O)c1 584999743 ICQNPWYWJLRTHV-CMPLNLGQSA-N 277.129 -0.401 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@@H]2C[C@H]2C1 585006477 XGANQFKADDHHIA-SCZZXKLOSA-N 263.077 -0.013 50 20 CBGD CN(C)CCCCNCc1ccc(B(O)O)cc1 585019279 IBTQYBSMLRQBAX-UHFFFAOYSA-N 250.151 -0.202 50 20 CBGD CC(C)(O)CSCCNCc1ccc(B(O)O)cc1 585022872 BVSINJKEZLCGKJ-UHFFFAOYSA-N 283.202 -0.040 50 20 CBGD CN1CCC[C@H]1CCNCc1ccc(B(O)O)cc1 585046925 DMHNCPDZTCYQCY-AWEZNQCLSA-N 262.162 -0.060 50 20 CBGD N#Cc1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cc1F 585056355 NNGOSHLVGCTBOV-SECBINFHSA-N 298.104 -0.065 50 20 CBGD N#Cc1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)c(F)c1 585059010 XBFDFAYQXPCKSN-SECBINFHSA-N 298.104 -0.065 50 20 CBGD CCCN(C)CC(=O)NNC(=O)CNC(=O)c1ccco1 730281996 FCGMIVNFFUGZNO-UHFFFAOYSA-N 296.327 -0.501 50 20 CBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)N(C)C)o1 730767170 HWVKCMIUEUSHPQ-UHFFFAOYSA-N 291.285 -0.469 50 20 CBGD O=C(COCc1ccccc1)NNC(=O)c1n[nH]c(O)n1 738545322 CKUNUZXNEKQWQF-UHFFFAOYSA-N 291.267 -0.512 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)C1=CCCCO1 746196959 NPUVKXSEWCNQIW-UHFFFAOYSA-N 293.279 -0.149 50 20 CBGD O=C(NNC(=O)[C@@H]1CC12CCCC2)C(=O)NC1CC1 747350713 VJOPRSVYWMKREF-VIFPVBQESA-N 265.313 -0.007 50 20 CBGD CCCCNC(=O)NNC(=O)Cn1cc(C(=O)OC)nn1 747366410 HZWJGJSYVIIJPM-UHFFFAOYSA-N 298.303 -0.805 50 20 CBGD CC[C@H](C)C(=O)NN=Cc1c(N)n(C)c(=O)n(C)c1=O 749814565 FGPUPBOFVZWTPM-ZETCQYMHSA-N 281.316 -0.838 50 20 CBGD NC(=O)C1(NCC(=O)NNC(=O)c2cccs2)CC1 754244872 TZAPXXYPSYPYDE-UHFFFAOYSA-N 282.325 -0.883 50 20 CBGD CCC1(C(=O)NNC(=O)CNC(=O)c2ccco2)COC1 755268118 UAQHNKWIBJKBJW-UHFFFAOYSA-N 295.295 -0.417 50 20 CBGD CN1C(=O)COc2ccc(NC(=O)NNC(=O)CO)cc21 756831132 VYPDRWNNLIHOFI-UHFFFAOYSA-N 294.267 -0.813 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CO)c(F)c1 764422557 WQTIMRQMCONPKM-UHFFFAOYSA-N 269.232 -0.788 50 20 CBGD O=C(NCCS(=O)(=O)CC1CC1)NNc1ncccn1 767230786 CPDMOMHMSJKIPU-UHFFFAOYSA-N 299.356 -0.073 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCn2ncnc2C1 770704062 WNALHRHNISVJGX-JTQLQIEISA-N 294.359 -0.324 50 20 CBGD COc1ccc(C(=O)NNC(=O)CO)cc1[N+](=O)[O-] 777781655 FKAPTCMVCYVZPV-UHFFFAOYSA-N 269.213 -0.643 50 20 CBGD COCCCNC(=O)NNS(=O)(=O)N1CC[C@H](C)C1 777927857 PNSLEJYSDAQJLN-VIFPVBQESA-N 294.377 -0.587 50 20 CBGD CN(NC(=O)Cn1cnc(-c2ccccc2)n1)C(N)=O 778417743 DUZYUIMHMMUGQY-UHFFFAOYSA-N 274.284 -0.013 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCN(C)C(=O)C1 780712347 ZUWINCLOMLSDMI-MRVPVSSYSA-N 256.306 -0.453 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)N(C)CC(C)C 782477447 RWGBETAPVJIHAF-UHFFFAOYSA-N 266.367 -0.015 50 20 CBGD CS[C@@H](C)C(=O)NNC(=O)N1CCN(C)CC1 788166555 PSJVKIHZUBNMAD-QMMMGPOBSA-N 260.363 -0.274 50 20 CBGD CC(C)CC(=O)NNC(=O)C1(S(C)(=O)=O)CC1 792046204 HQWZYVWHYCUTSO-UHFFFAOYSA-N 262.331 -0.243 50 20 CBGD COC(=O)N(C)NC(=O)[C@H]1CCCN1S(C)(=O)=O 804123927 MGRGMIQAYVXIFU-SSDOTTSWSA-N 279.318 -0.860 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cncn2C)CC1 809795174 NERAFTCKADBJSZ-UHFFFAOYSA-N 266.305 -0.978 50 20 CBGD O=C(Cc1ccc(F)cc1)NN=C1C(=O)NC(=O)NC1=O 814215913 XCGJYLJXSROHQD-UHFFFAOYSA-N 292.226 -0.794 50 20 CBGD O=C(CN1CCN(S(=O)(=O)CCl)CC1)NC1CC1 820781489 XAHGPWXWGBLKFE-UHFFFAOYSA-N 295.792 -0.591 50 20 CBGD CN1C(=O)CS/C1=C\C(=O)NNC(=O)[C@H]1CCCCO1 823236595 BXDSQVHKLLGFGJ-QKNMJKLUSA-N 299.352 -0.251 50 20 CBGD CCN(CCO)NC(=O)c1ccc2nnnn2c1 823865050 HMRIZFNOCGTTGB-UHFFFAOYSA-N 250.262 -0.917 50 20 CBGD COCC(=O)NNC(=O)Nc1cccc(OC)n1 824161107 NNPKJTUQRFQEGM-UHFFFAOYSA-N 254.246 -0.111 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCNC(=O)C1CC1 825582517 BROUVLMPUHHZHO-SCZZXKLOSA-N 298.343 -0.732 50 20 CBGD CC(=O)NCCN(C)C(=O)NNC(=O)C1CCCC1 826623714 HZENTDNJRPKLDJ-UHFFFAOYSA-N 270.333 -0.015 50 20 CBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=O)NCC1CC1 841385224 UVCHKVFSMSLTOH-CAHLUQPWSA-N 256.262 -0.776 50 20 CBGD COc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)on1 843660794 LIZWWTWNOGWNOE-NKWVEPMBSA-N 269.257 -0.131 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](C)[C@@](C)(CO)C1 852701363 BMGJMIOQOBXSPA-OUJBWJOFSA-N 271.361 -0.117 50 20 CBGD O=C(CN1[C@H]2CC[C@H]1CNC2)NNC(=O)c1ccccc1 852761428 MQHYKLGXDYILLR-STQMWFEESA-N 288.351 -0.116 50 20 CBGD COCCCNC(=S)N(C)NC(=O)c1nonc1C 854281980 OFYGWPBIQTXGHP-UHFFFAOYSA-N 287.345 -0.134 50 20 CBGD C=C(CN(C)C)C(=O)NNC(=O)N1CCN(C)CC1 854379347 YATMXPBDODSYEL-UHFFFAOYSA-N 269.349 -0.908 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)N1 858538279 UYWYPAATSHGQHA-UTINFBMNSA-N 280.328 -0.216 50 20 CBGD CCO[C@@H](C(=O)NNC(=O)N1CCOCC1)C1CC1 858905824 JSHVPYWOZNFZLB-SNVBAGLBSA-N 271.317 -0.126 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H](C)[C@H]1CCC(=O)N1 860667061 AOFUKJBGRIKJMV-JGVFFNPUSA-N 256.306 -0.406 50 20 CBGD CCc1onc(C)c1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 860832822 DTFAOLWKRBTHQG-ZETCQYMHSA-N 295.299 -0.023 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)oc1C 862457837 RVXHMAQOROJFRJ-QMMMGPOBSA-N 265.269 -0.064 50 20 CBGD O=C(NNS(=O)(=O)CCCCCl)c1cn[nH]c1 863414357 TZHBHVFQIMHYRM-UHFFFAOYSA-N 280.737 -0.007 50 20 CBGD C[C@H](C(=O)NNC(=O)CS(C)(=O)=O)C1CCC1 863465957 NFQMNQLYLJNLBH-ZETCQYMHSA-N 262.331 -0.385 50 20 CBGD COC(=O)C(C)(C)NC(=O)c1cccc(B(O)O)c1 863869087 HTQIWVIKMYYBJF-UHFFFAOYSA-N 265.074 -0.952 50 20 CBGD CN(C)CCn1cc(C(=O)NNC(=O)c2ccc[nH]2)cn1 864588597 JQRIJGFFXCAWAW-UHFFFAOYSA-N 290.327 -0.152 50 20 CBGD CCOC(=O)NNS(=O)(=O)C1(COC)CC1 882659859 IUTFKZFKJGHDPQ-UHFFFAOYSA-N 252.292 -0.254 50 20 CBGD C#CCCCC(=O)NNC(=O)c1cnc(O)n1C 887150540 NUEVMSWRTYYFPH-UHFFFAOYSA-N 250.258 -0.310 50 20 CBGD C[C@@H](CCNCc1ccc(B(O)O)cc1)N(C)C 895290651 PANHAEJKSSIENN-NSHDSACASA-N 250.151 -0.204 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)c2ccccc2)C1=O 899916486 VXONZVQWCULOED-JTQLQIEISA-N 277.280 -0.695 50 20 CBGD C[C@H](O)CN(C)NC(=O)CCCCc1cnn[nH]1 910151695 IKYHWDRMBAGSOS-VIFPVBQESA-N 255.322 -0.139 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1ccn(C)c(=O)c1 912901259 FYEDLJNTNRQCRT-UHFFFAOYSA-N 274.280 -0.201 50 20 CBGD C[C@@H](C(=O)NNC(=O)CN1CCCC1=O)C(F)(F)F 913731441 IQYJCHXBIXSQGZ-LURJTMIESA-N 281.234 -0.045 50 20 CBGD CC(=O)NNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 920430387 MHBSJRDDIULDOX-WDSKDSINSA-N 267.207 -0.389 50 20 CBGD NCC[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 923485502 UCJLWZDPAKZQNA-SECBINFHSA-N 254.334 -0.786 50 20 CBGD Cn1ccc(C(=O)NNC(=O)N2CCOCC2)cc1=O 1115910506 KQYAWPMEGINPML-UHFFFAOYSA-N 280.284 -0.928 50 20 CBGD COCCOC(=O)/C(C#N)=C/c1cn(CC(=O)O)nn1 1116388780 AKVATIGRBMBOAF-XBXARRHUSA-N 280.240 -0.541 50 20 CBGD COC(=O)Cn1cccc1C=NNC(=O)CCO 1116487449 CDOLFUWMDQSQDW-UHFFFAOYSA-N 253.258 -0.506 50 20 CBGD COC(=O)c1occc1C=NNC(=O)CS(C)(=O)=O 1118953398 PVMGXFWNXQNOSE-UHFFFAOYSA-N 288.281 -0.439 50 20 CBGD COc1cc(F)cc(NC(=O)C(=O)NNC(C)=O)c1 1254889016 RWOTZWJUXSZBSG-UHFFFAOYSA-N 269.232 -0.060 50 20 CBGD CC1CC(C#N)(C(=O)NNC(=O)CS(C)(=O)=O)C1 1261835233 NQJCPIFDQQDNOX-UHFFFAOYSA-N 273.314 -0.882 50 20 CBGD CN(C)C(=O)CNC(=O)NNC(=O)c1ccc[nH]1 1317876780 CMBBHCROGJNKMY-UHFFFAOYSA-N 253.262 -0.953 50 20 CBGD Cc1csc(=O)n1CCC(=O)NNC(=O)N(C)C 1318161353 XGUALPXXENVTGT-UHFFFAOYSA-N 272.330 -0.089 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC1Cc2ccccc2C1 1319003903 QBEJFOISPRFMCW-UHFFFAOYSA-N 291.307 -0.095 50 20 CBGD Cc1onc(CC(=O)NNC(=O)c2cnn(C)c2)c1C#N 1319920689 OYPWFKFUPHODJR-UHFFFAOYSA-N 288.267 -0.408 50 20 CBGD Nc1ncc(C=NNC(=O)CNC(=O)c2cccnc2)cn1 1319964878 SGFYMBGEYBKKTB-UHFFFAOYSA-N 299.294 -0.666 50 20 CBGD CN1C(=O)C(=O)N(CC(=O)N2CC=C(C#N)CC2)C1=O 1320166221 UOOKHRICXWIWGM-UHFFFAOYSA-N 276.252 -0.911 50 20 CBGD CCOCCC1(CNC(=O)NNC(=O)C(=O)OC)CC1 1322932333 UVLNVTWTYCUSNR-UHFFFAOYSA-N 287.316 -0.303 50 20 CBGD CCCNC(=O)NNC(=O)C[C@H]1CCCS(=O)(=O)C1 1324940841 OMSYZOSRMADSMA-SECBINFHSA-N 291.373 -0.058 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2C[C@]23CCOC3)nc1O 1325526518 UMNPPRMQHIEGRJ-HQJQHLMTSA-N 265.273 -0.245 50 20 CBGD Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NN)c(C)c12 1325991255 UTFXNZOBNBOXKV-UHFFFAOYSA-N 263.301 -0.199 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1c(C2CC2)cnn1C 1327763242 YTVMXLBHWCFUCG-UHFFFAOYSA-N 293.327 -0.417 50 20 CBGD O=C(NNc1ccncn1)[C@@H]1CCc2nncn2C1 1328605053 CCTDDCLRTXJFFW-MRVPVSSYSA-N 259.273 -0.226 50 20 CBGD O=C(/C=C\C1CCOCC1)NNC(=O)[C@H]1CCC(=O)N1 1329077266 ASHNVJGTEWCBNG-BRPGZNNISA-N 281.312 -0.605 50 20 CBGD CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)CCO 1330901723 IZDOVQQTRSGJLD-SECBINFHSA-N 262.331 -0.172 50 20 CBGD O=C(NN=c1cc[nH]cc1)[C@@H]1CCc2nncn2C1 1347805447 OEPYPAIEVVKKFQ-SECBINFHSA-N 258.285 -0.199 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(CO)cc2)N1 1348389063 SJVCNMQOHAKYCR-JTQLQIEISA-N 277.280 -0.782 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)Cc2cc[nH]n2)C1 1349447132 NOJRJHAWSMFBHP-ZETCQYMHSA-N 250.258 -0.531 50 20 CBGD CO[C@H]1CCC[C@H]1C(=O)NNC(=O)c1cn[nH]c1 1517991305 DXUVXNASRZRWTK-BDAKNGLRSA-N 252.274 -0.014 50 20 CBGD O=C(NNC(=O)[C@@]1(F)CCNC1)[C@H]1C[C@H]2CC[C@H]1O2 1574334685 UGFSGCSAFRNXFR-JXVAYASWSA-N 271.292 -0.597 50 20 CBGD COC(=O)N(C)NC(=O)NCCCN1CCNCC1 1578823301 XODNDRAWSAECDT-UHFFFAOYSA-N 273.337 -0.806 50 20 CBGD O=C(NCC[C@H]1CCCNCC1)c1ccc(B(O)O)cc1 1580676466 USYQPKUPQXVICM-LBPRGKRZSA-N 290.172 -0.124 50 20 CBGD O=C(NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1ccnnc1 1593157699 UQLSEPLCUHCWMO-UHFFFAOYSA-N 299.254 -0.940 50 20 CBGD COCCCNC(=O)NNC(=O)C[C@@H](C)CC(=O)O 1599226804 HUJSWDUHLZOJGZ-MRVPVSSYSA-N 275.305 -0.146 50 20 CBGD Cc1cc(C(=O)O)oc1C(=O)NNC(=O)C(C)(C)O 1600133538 JSPKJHLESGXNAO-UHFFFAOYSA-N 270.241 -0.182 50 20 CBGD O=C(NN=C1C[C@H]2C[C@@H](C(=O)O)[C@H]1C2)C(=O)NC1CC1 1601552112 LCNTZVWBHDJEKG-FTLITQJKSA-N 279.296 -0.132 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)c1cn(CC(=O)O)nn1 1602907963 NGIITKMOIDCNHY-UHFFFAOYSA-N 285.260 -0.468 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CCCC(=O)O 1603486430 UHRCQICMIZJJFT-MRVPVSSYSA-N 259.306 -0.271 50 20 CBGD CCc1cc(NC(=O)C(=O)NNC(=O)C(=O)O)ccc1F 1605800828 JHRJVKLXWBTGGT-UHFFFAOYSA-N 297.242 -0.441 50 20 CBGD O=C(O)c1ccc(C(=O)NNC(=O)c2ncon2)cc1 1606478534 GIFNUTJUIUNLKZ-UHFFFAOYSA-N 276.208 -0.157 50 20 CBGD O=C1N[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CO1 1607052600 MEXTVWSZUCCOTC-QMMMGPOBSA-N 289.255 -0.582 50 20 CBGD NS(=O)(=O)NC[C@H]1CCCN(C(=O)CCl)C1 37833280 YNKALUOUAWXPHP-SSDOTTSWSA-N 269.754 -0.743 50 20 CBGD CCOC(=O)NNC(=O)c1cccc(OCC(N)=O)c1 44859956 CTYYFXOHBFZMIK-UHFFFAOYSA-N 281.268 -0.058 50 20 CBGD Cn1cc(C(=O)NNC(=O)NC[C@@H]2CCCO2)cn1 49162063 WDYLAGWGHMHAHY-VIFPVBQESA-N 267.289 -0.457 50 20 CBGD CCN(CC#N)CC(=O)NNC(=O)Cc1nc(C)cs1 121017336 JVTKPWFVPFEJOP-UHFFFAOYSA-N 295.368 -0.013 50 20 CBGD CC(=O)NCC(=O)NNC(=O)CNc1ccc(C)cc1C 192576678 PTSJCCGMDPALIY-UHFFFAOYSA-N 292.339 -0.001 50 20 CBGD CN1CCN(C(=O)NNC(=O)C(=O)c2ccccc2)CC1 288069166 UFMMDLOYIGHADR-UHFFFAOYSA-N 290.323 -0.143 50 20 CBGD C[C@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)CN1C1CC1 584956836 BRZYPOQKYJOXBA-GXFFZTMASA-N 288.156 -0.279 50 20 CBGD O=C(N[C@H]1CC[C@@H](CO)CC1)c1cccc(B(O)O)c1 584962100 AQIYBKJULYFVSS-GSJFWJNXSA-N 277.129 -0.353 50 20 CBGD C[C@H](C[S@@](C)=O)N(C)C(=O)c1ccc(B(O)O)cc1 584973101 LSGHVXRKUFRGIN-AYLIAGHASA-N 283.158 -0.795 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@H]2[C@H](O)CC[C@H]2C1 584975238 ZPZOVBUBRCKDSZ-OPQQBVKSSA-N 293.103 -0.652 50 20 CBGD C[C@@H]1COCC[C@H]1CNC(=O)c1cc(B(O)O)ccc1F 584989623 RFPPBBHKFJLOPB-ZJUUUORDSA-N 295.119 -0.092 50 20 CBGD C[C@@H]1[C@@H](CO)CCCN1C(=O)c1ccc(B(O)O)cc1 584999636 GOAIYRNYZFZHRL-ZYHUDNBSSA-N 277.129 -0.401 50 20 CBGD C[C@@H](NC(=O)c1cc(B(O)O)ccc1F)c1cnnn1C 585004749 MKKKPJXRGOWAHH-SSDOTTSWSA-N 292.079 -0.875 50 20 CBGD CN(CCNCc1ccc(B(O)O)cc1)CC(F)(F)F 585024184 RVHJLUGFCWWGDX-UHFFFAOYSA-N 290.094 -0.050 50 20 CBGD OB(O)c1ccccc1CN[C@@H]1COc2ccccc2[C@@H]1O 585041080 MUEIHFSQOKYKEV-ZBFHGGJFSA-N 299.135 -0.049 50 20 CBGD CC(C)(CNCc1ccc(B(O)O)o1)[C@]1(O)CCOC1 585048479 QKYACMUNJVAYKQ-ZDUSSCGKSA-N 283.133 -0.773 50 20 CBGD COc1cc(F)ccc1S(=O)(=O)NCB(O)O 585057374 RPVJMGVCMXOZHE-UHFFFAOYSA-N 263.055 -0.875 50 20 CBGD COCC[C@H](C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 726261902 VVLCGVBQONIJIR-GXSJLCMTSA-N 293.389 -0.208 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(O)cc1 728436697 IFSCGIMUJQXGTR-QMMMGPOBSA-N 285.325 -0.220 50 20 CBGD O=C(CN(CCCO)CC(F)(F)F)NNC(=O)C1CC1 733197706 ALJJQMHAWKHLIK-UHFFFAOYSA-N 297.277 -0.210 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=O)c1ccc(C)o1 755022618 VHSXVUCUDVHCOF-LLVKDONJSA-N 256.258 -0.254 50 20 CBGD COc1ncncc1NC(=O)NNC(=O)c1cnn(C)c1 757691295 VZVROMJIUGUQOR-UHFFFAOYSA-N 291.271 -0.315 50 20 CBGD CNS(=O)(=O)c1ccc(NC(=O)NNC(C)=O)cc1 765189859 WPSDKDDTLHFSJD-UHFFFAOYSA-N 286.313 -0.233 50 20 CBGD CC1(C)OCC(C)(C(=O)NNC(=O)C(C)(C)O)CO1 768244301 JVCCBTDVVDCLOL-UHFFFAOYSA-N 274.317 -0.306 50 20 CBGD Cc1c(/C=C(\C#N)C(=O)NC(CO)CO)cc(C#N)n1C 770432806 AWMHSIURKMCRAQ-QDEBKDIKSA-N 288.307 -0.418 50 20 CBGD O=C(NNC(=O)C1(F)CCCC1)C(=O)NC1CC1 771926046 DLZMQRUMNIBMMU-UHFFFAOYSA-N 257.265 -0.305 50 20 CBGD CCS(=O)(=O)NCC(=O)NCCCSC#N 773586743 YMSWGZPWBWZHLK-UHFFFAOYSA-N 265.360 -0.354 50 20 CBGD O=C(CN1CCC[C@@]12CCOC2=O)NNC(=O)C1CC1 778250460 JWEYUSKSWXIMKV-ZDUSSCGKSA-N 281.312 -0.675 50 20 CBGD CN1CCO[C@H](C(=O)NNc2ncncc2Cl)C1 781820079 PUERKCHMLZBZPX-QMMMGPOBSA-N 271.708 -0.096 50 20 CBGD CS(=O)(=O)C1(C(=O)NNC(=O)NC2CC2)CCC1 793201736 ROYDJWVWJRRRFD-UHFFFAOYSA-N 275.330 -0.554 50 20 CBGD NC(=O)C(=O)NN=C1COc2cc(F)cc(F)c21 814696338 DTBFWVFNJYKHOP-UHFFFAOYSA-N 255.180 -0.337 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)n[nH]1 815887038 QYNPJDQVGJICOE-MRVPVSSYSA-N 289.299 -0.667 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1C 823474408 IVGNVFAGCVIHNH-HRDYMLBCSA-N 269.301 -0.820 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)CC 823755098 BKTUTIXOYAUUSZ-MRVPVSSYSA-N 294.377 -0.555 50 20 CBGD CCN(CCO)NC(=O)C(=O)N1CCC[C@@H](C)C1 823873541 CXCRDGGTMKUGNF-SNVBAGLBSA-N 257.334 -0.410 50 20 CBGD COc1cccc(NNC(=O)C2(n3cnnn3)CC2)n1 831881804 JVUBKTISLCCEEV-UHFFFAOYSA-N 275.272 -0.291 50 20 CBGD COc1ccc(OCC(=O)NNC(=O)N[C@@H](C)CN)cc1 841982537 OKHRGGLIVIVVEH-VIFPVBQESA-N 296.327 -0.248 50 20 CBGD C#CCOCCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843662451 RCTPLXCOICUZLK-ZJUUUORDSA-N 254.286 -0.401 50 20 CBGD COC(CN(CCCO)S(=O)(=O)CCl)OC 849386706 LEOWZYVBKFMZOI-UHFFFAOYSA-N 275.754 -0.184 50 20 CBGD CN1CCN(C(=O)NNC(=O)/C=C/[C@H]2CCOC2)CC1 854381095 DSBBXDWKTWILTN-VUDBWIFFSA-N 282.344 -0.433 50 20 CBGD CNC(=S)N(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] 854922599 DGZLLTKMBWSMQQ-UHFFFAOYSA-N 258.263 -0.601 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H](C)[C@@H]1CCC(=O)N1 860667062 AOFUKJBGRIKJMV-SFYZADRCSA-N 256.306 -0.406 50 20 CBGD CCOc1cncc(C=NNC(=O)CS(C)(=O)=O)c1 863183783 MPOVAZCAMJRIEM-UHFFFAOYSA-N 285.325 -0.025 50 20 CBGD CCCC[C@H](NNC(=O)[C@H]1CCC(=O)N1)C(=O)OC 863378945 LIYHDPOOJRXIMA-BDAKNGLRSA-N 271.317 -0.382 50 20 CBGD C[C@H]1CC[C@@H](CCC(=O)NNC(=O)CS(C)(=O)=O)O1 863462472 DJRFZXYMYZVMTA-IUCAKERBSA-N 292.357 -0.474 50 20 CBGD CCOC1(C(=O)NNC(=O)CS(C)(=O)=O)CCCC1 863466671 XGEWWUPDXKAQOU-UHFFFAOYSA-N 292.357 -0.472 50 20 CBGD COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cccc(B(O)O)c1 863885313 HQCNGYVPMORJEA-NEPJUHHUSA-N 291.112 -0.562 50 20 CBGD CC(C)OC(=O)[C@H](C)NCc1cccc(B(O)O)c1 863889367 AFEAAGKIAXSRLG-JTQLQIEISA-N 265.118 -0.204 50 20 CBGD CN(C)C(=O)NNC(=O)/C=C/CN1CCOCC1 865046805 BCSVSBWDLKRXHL-ONEGZZNKSA-N 256.306 -0.823 50 20 CBGD CC[C@@H](NC(C)=O)C(=O)NNc1ncncc1F 868541736 XMHOHUZYZKQNKJ-MRVPVSSYSA-N 255.253 -0.027 50 20 CBGD COCCOCC(=O)NN=Cc1cn(C)nc1O 872399684 ADTUFLMLVRMPIM-UHFFFAOYSA-N 256.262 -0.761 50 20 CBGD C[C@@H]1CCN(S(=O)(=O)NNC(=O)C2CCOCC2)C1 882805081 MFUMMOYMASBHBS-SECBINFHSA-N 291.373 -0.380 50 20 CBGD O=C(COCC1CC1)NNC(=O)C1CCOCC1 883062216 UMPUKCXCTFTHHT-UHFFFAOYSA-N 256.302 -0.013 50 20 CBGD COC(=O)c1cncc(C(=O)NN(C)C[C@@H](C)O)c1 910155040 IZWITUOAKHYITE-MRVPVSSYSA-N 267.285 -0.174 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CS(=O)(=O)C1CCCC1 910170682 POWOBHWCMCLXTH-SECBINFHSA-N 278.374 -0.312 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCCC[C@H]1CO 1118982112 HJQYWKMSRNYAMV-JTQLQIEISA-N 281.092 -0.508 50 20 CBGD Cn1ccc(NNC(=O)CNC(=O)N2CCCC2)n1 1119988039 DWPWAMGBBVQRIU-UHFFFAOYSA-N 266.305 -0.331 50 20 CBGD CN(C[C@H]1CCCN1C)C(=O)NNC(=O)c1cn[nH]c1 1261791985 IFMOCBXKTDQJJL-SNVBAGLBSA-N 280.332 -0.210 50 20 CBGD C[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1317913454 LKQBWJHMRJYRCL-CSMHCCOUSA-N 260.315 -0.776 50 20 CBGD O=C(NNC(=O)c1ccnc(F)c1)C(=O)N1CCCC1 1318230945 ZUMYYWWXEWIABC-UHFFFAOYSA-N 280.259 -0.396 50 20 CBGD Cc1nn(C)c(C)c1CC(=O)NNC(=O)Cc1cc[nH]n1 1318369898 UAGRZNFUYVLPTG-UHFFFAOYSA-N 290.327 -0.307 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cn[nH]c1 1318661444 MERTWQCTXDCMJX-UHFFFAOYSA-N 267.289 -0.525 50 20 CBGD O=C(NNC(=O)c1cncc(F)c1)C(=O)N1CCCC1 1319273711 PGHPQMIDTHFKIO-UHFFFAOYSA-N 280.259 -0.396 50 20 CBGD CC(C)(C(=O)NNC(=O)C(=O)NC1CC1)c1cccnc1 1319962625 DPSIGAJSUBIHIO-UHFFFAOYSA-N 290.323 -0.215 50 20 CBGD COc1cc(C#N)ccc1NC(=O)C(=O)NNC(C)=O 1320268719 QGDQGGCRIFIGPE-UHFFFAOYSA-N 276.252 -0.327 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)nc(C)n2C 1320509835 AKFKASIUWITECM-UHFFFAOYSA-N 289.295 -0.012 50 20 CBGD Cn1cc([C@@H](CO)NCC(=O)NNC(=O)C(C)(C)C)cn1 1320753737 YWHBFIFXNVJMCU-SNVBAGLBSA-N 297.359 -0.763 50 20 CBGD CN(NC(=O)c1cc(OC(F)F)n(C)n1)C(N)=O 1324005314 VSJQGVTZVTWTNF-UHFFFAOYSA-N 263.204 -0.323 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@H]1CCc2nnn(C)c2C1 1324305962 NYCPNVMAHGRAOZ-QMMMGPOBSA-N 280.332 -0.341 50 20 CBGD Cc1nn(CCO)c(C)c1C=NNC(=O)c1cn[nH]c1 1329555830 CSCXHVVTFUYNMI-UHFFFAOYSA-N 276.300 -0.021 50 20 CBGD COCCOCC(=O)NNC(=O)C1(F)CCOCC1 1330603961 PPLFESCVSKXJSQ-UHFFFAOYSA-N 278.280 -0.685 50 20 CBGD Cc1ncc(C(=O)NNC(=O)NCC(F)(F)F)c(N)n1 1330805806 MNDYKVSKVYNSOP-UHFFFAOYSA-N 292.221 -0.126 50 20 CBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNc1ncc(F)cn1 1346709931 IBIKFMQUCIMRQR-WPRPVWTQSA-N 280.307 -0.553 50 20 CBGD Cn1cc(NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)cn1 1352767048 AHZKROXTVVCBEI-SNVBAGLBSA-N 287.345 -0.377 50 20 CBGD C[S@@](=O)CCCNC(=O)NNC(=O)Cc1cccnc1 1521174095 XYMHPQSMHRRZIZ-HXUWFJFHSA-N 298.368 -0.277 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2C[C@H]2N)cc1 1579715620 DHPHRKFABMPQKY-VHSXEESVSA-N 276.296 -0.572 50 20 CBGD C#CCN(CC(=O)O)[C@@H](C)C(=O)NNC(=O)CC(C)C 1588420165 OKSDMYHDDZYCNW-JTQLQIEISA-N 283.328 -0.412 50 20 CBGD C[C@@H](CN(C)C(=O)c1cc(B(O)O)ccc1F)C(=O)O 1589028492 GWHNPVCPEPJPQB-ZETCQYMHSA-N 283.064 -0.702 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccsc1-c1nn[nH]n1 1590000296 KFRIDMJEQQKGCZ-LURJTMIESA-N 282.329 -0.114 50 20 CBGD Cn1nncc1NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1592613499 VZDXFFONRGIIDU-UHFFFAOYSA-N 274.248 -0.920 50 20 CBGD O=C(NNC(=O)[C@]1(C(=O)O)CCCO1)C1CCOCC1 1594783064 TWWMORQUDRQAEV-LBPRGKRZSA-N 286.284 -0.806 50 20 CBGD COC(=O)N(C)NS(=O)(=O)C1(C(=O)O)CCC1 1598876152 SUNWALGOPFWMRH-UHFFFAOYSA-N 266.275 -0.474 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 1601552970 PNZXFMRJVNKNRW-KXUCPTDWSA-N 293.254 -0.121 50 20 CBGD O=C(O)CC(=O)NNc1ccc(-n2ccnc2)nn1 1601888120 NLYFQUGYDWEXFH-UHFFFAOYSA-N 262.229 -0.420 50 20 CBGD CC[C@](COC)(NS(=O)(=O)CCl)C(=O)O 1609926651 VDLAJZLSRGWZQV-SSDOTTSWSA-N 259.711 -0.018 50 20 CBGD O=C(Cn1cnnn1)NNc1cnc2ccccc2n1 163419202 RDQABLSTJPHJCW-UHFFFAOYSA-N 270.256 -0.240 50 20 CBGD Cc1c(C(=O)NNC(=O)CO)cnn1-c1ccccc1 182760565 QVRBNAOJYSEISZ-UHFFFAOYSA-N 274.280 -0.066 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cccc(-n2ccnn2)c1 190068398 PRYWVCGTTGNYAJ-UHFFFAOYSA-N 289.295 -0.201 50 20 CBGD CC[C@H](C)OCC(=O)NNC(=O)C(=O)NC1CC1 269725109 WKSBFUWAECGEKZ-ZETCQYMHSA-N 257.290 -0.773 50 20 CBGD O=C(NNC(=O)C1SCCS1)C(=O)NC1CC1 270486918 JYGJQJMNGFZJFI-UHFFFAOYSA-N 275.355 -0.782 50 20 CBGD Cn1ccnc(NNC(=O)[C@H]2CCCN2C2CC2)c1=O 278754490 SGLHYVAPOHQFPQ-SNVBAGLBSA-N 277.328 -0.150 50 20 CBGD Cn1nnc2c(C(=O)NNC(=O)[C@@H]3CCCO3)ccnc21 292084999 GCBPJTDLVCKWRF-QMMMGPOBSA-N 290.283 -0.697 50 20 CBGD CCN1CCO[C@@H](C(=O)NNc2nc(C)cc(OC)n2)C1 365766196 SHLARDRXPOBSPU-SNVBAGLBSA-N 295.343 -0.043 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)[C@H]1CN2CCCN1CC2 494022878 GTMUTTMDYLFSRX-SNVBAGLBSA-N 284.360 -0.068 50 20 CBGD CCOC(=O)NNC(=O)CNc1ccccc1C(N)=O 496663987 SKPCPPXICGVZAM-UHFFFAOYSA-N 280.284 -0.025 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1CCCN1C1CC1 584914062 OUEOTGVDLZKQGG-CYBMUJFWSA-N 274.129 -0.068 50 20 CBGD CCCCN(CC(N)=O)C(=O)c1ccc(B(O)O)cc1 584929639 UFVJFNLCXAQYNR-UHFFFAOYSA-N 278.117 -0.906 50 20 CBGD C[S@](=O)CCCNC(=O)c1ccc(B(O)O)c(F)c1 584941216 GVTPKTRUCJNFAW-IBGZPJMESA-N 287.121 -0.996 50 20 CBGD C[C@@H](NC(=O)c1cccc(B(O)O)c1)C1=CCN(C)CC1 584971953 IRUBGOQXRROEME-LLVKDONJSA-N 288.156 -0.253 50 20 CBGD O=C(N[C@H]1C[C@@H]1C(F)F)c1ccc(B(O)O)cc1 584990527 YCSXPAWFLYTZJC-IUCAKERBSA-N 255.029 -0.250 50 20 CBGD CC[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)C(C)(C)O 584995239 SYRPNWPRBLNERJ-NSHDSACASA-N 283.108 -0.215 50 20 CBGD OB(O)c1ccc(CNC[C@@H]2CCOC2)c(F)c1 585018508 WYPAVURWNPUSCD-VIFPVBQESA-N 253.082 -0.368 50 20 CBGD C[C@H]1COCCN1C[C@@H](C)NCc1ccc(B(O)O)cc1 585021596 MHCLDQJGEJENQY-OLZOCXBDSA-N 292.188 -0.435 50 20 CBGD OC[C@@H](Cc1ccccc1)NCc1ccc(B(O)O)o1 585023441 LGGGGLCAZBVYFH-GFCCVEGCSA-N 275.113 -0.347 50 20 CBGD O=C1C[C@@H](CNCc2ccc(B(O)O)cc2)CN1C1CC1 585045439 HXMNUURAOFFOMW-LBPRGKRZSA-N 288.156 -0.533 50 20 CBGD O=C(COc1cccc(N2CCCC2=O)c1)NCB(O)O 585061293 VJJHOIZGXRIWNU-UHFFFAOYSA-N 292.100 -0.680 50 20 CBGD O=C(NNC(=O)c1cnn[nH]1)c1ccc2nc(O)oc2c1 729457429 LBEBRIRAXSLZHW-UHFFFAOYSA-N 288.223 -0.274 50 20 CBGD CCC(COC)=NNC(=O)[C@H]1CCS(=O)(=O)C1 735972739 QHTGTEWSPMZBBY-QMMMGPOBSA-N 262.331 -0.050 50 20 CBGD COc1cccc(C(=O)NNC(=O)CCNC(=O)O)c1O 738083150 LTBCUIYYCGOTSH-UHFFFAOYSA-N 297.267 -0.181 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CN1[C@H](C)CC[C@H]1C 746102895 AQQTYYJBDVZJGY-NXEZZACHSA-N 284.360 -0.469 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1ccc([N+](=O)[O-])cc1 747987859 MRYAKFBUYHDHKN-UHFFFAOYSA-N 288.285 -0.413 50 20 CBGD C[C@@H]1CN(C)CC1=NNC(=O)[C@@H]1CCS(=O)(=O)C1 752159466 DAGSFWLUKROKMK-RKDXNWHRSA-N 273.358 -0.525 50 20 CBGD O=C(CO)NNC(=O)c1cc2c(cc1F)NC(=O)CC2 753436586 ANUOGZUHCYCKCU-UHFFFAOYSA-N 281.243 -0.536 50 20 CBGD Cc1c(CC(=O)NNC(=O)CO)nnn1-c1ccccc1 753445990 XOAANKYFZKWUNX-UHFFFAOYSA-N 289.295 -0.742 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cc[nH]n1 755584703 NMUYDBLXCOIAKE-JTQLQIEISA-N 265.317 -0.172 50 20 CBGD CS(=O)(=O)CC(=O)NN=c1cc[nH]cc1Cl 757405549 ANZOKRHSNDJDLW-UHFFFAOYSA-N 263.706 -0.355 50 20 CBGD C#CCNC(=S)NNC(=O)[C@H]1COc2ccccc2O1 758171009 GNRULZARYJXKJA-LLVKDONJSA-N 291.332 -0.045 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc(-n2cccn2)nc1 768260855 HOMGYAQNDNOJJK-UHFFFAOYSA-N 289.295 -0.201 50 20 CBGD Cn1ccnc(NC(=O)NNc2ncc(F)cn2)c1=O 775714927 QEFKJDSUZWMLQW-UHFFFAOYSA-N 279.235 -0.142 50 20 CBGD NC(=O)N[C@@H](CO)C(=O)NNc1ccc2ccccc2n1 777463198 IQNJYSULPUJXCY-JTQLQIEISA-N 289.295 -0.293 50 20 CBGD CCC(=O)N1CCC(=NNC(=O)NCC(=O)OC)CC1 779815810 BEZGSFLCRCPGIC-UHFFFAOYSA-N 284.316 -0.153 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CC1OCCCO1 788631341 WBHDKFMITPZLTJ-UHFFFAOYSA-N 267.285 -0.061 50 20 CBGD CC[C@H](CO)C(=O)NNC(=O)N=c1cc[nH]cc1 802036607 XNHDGHNXPRTQIF-MRVPVSSYSA-N 252.274 -0.325 50 20 CBGD CC(=O)NNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F 806308261 PHVUQEHUHWVIDZ-LURJTMIESA-N 267.207 -0.293 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1CCCC12OCCO2 806772953 XZHVPOUORFJUEZ-SECBINFHSA-N 271.317 -0.761 50 20 CBGD CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)C(=O)NC2CC2)C1 814378747 DHSGUMZJISULNV-PSASIEDQSA-N 283.328 -0.382 50 20 CBGD CC(=O)NNC(=O)c1cnn(-c2ccccn2)c1N 814699736 IYRYEXHJJUREQX-UHFFFAOYSA-N 260.257 -0.370 50 20 CBGD Cc1cc(CC(=O)NN=C2COCCOC2)n[nH]1 814788290 MRMMRDUFQZJWTL-UHFFFAOYSA-N 252.274 -0.220 50 20 CBGD CCOC(=O)c1ccc(C(=O)NN(C)C(N)=O)nc1 815900787 QKRUOEULQIGESD-UHFFFAOYSA-N 266.257 -0.086 50 20 CBGD C[C@H](C(=O)NNC(=O)CC1CC1)N1C(=O)CCC1=O 819136015 JIOYVYBLFFHEQS-SSDOTTSWSA-N 267.285 -0.529 50 20 CBGD Cc1onc(N)c1S(=O)(=O)NNC(=O)CC(C)C 821132728 WWYRZJDFIYGEQX-UHFFFAOYSA-N 276.318 -0.079 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCCCN(C)C1=O 824016999 XNGKGJZYDRNNJP-HBNTYKKESA-N 297.355 -0.183 50 20 CBGD CN(C)CC(=O)NN=Cc1ccccc1-c1nn[nH]n1 825854466 BLZOIGDAAHNSFB-UHFFFAOYSA-N 273.300 -0.122 50 20 CBGD O=C(CN(C1CC1)C1COC1)NNC(=O)C1CC1 830235195 DGYXHCUZAYGMET-UHFFFAOYSA-N 253.302 -0.593 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1csnn1 843971595 CQCUEOOQKLYJJJ-WDSKDSINSA-N 256.287 -0.276 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)N[C@@H]1CCNC1 861708456 GOWRNUQVJPEORD-RKDXNWHRSA-N 256.306 -0.752 50 20 CBGD CC(C)(C(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CC1 862459895 BWIIMNCITMNXOD-MRVPVSSYSA-N 253.302 -0.151 50 20 CBGD COC(=O)[C@H](C)N(C)C(=O)c1cc(B(O)O)ccc1F 863880524 CDWUEUDHDWBNNT-ZETCQYMHSA-N 283.064 -0.861 50 20 CBGD CC(C)(CCl)CS(=O)(=O)N1C[C@H](O)[C@H](O)C1 867039572 CBVFKGAXWLRYQW-OCAPTIKFSA-N 271.766 -0.381 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)N1 875395147 IDDUTJJUKFGSEH-YBSMEWOOSA-N 292.339 -0.360 50 20 CBGD C[C@@H]1COCC1=NNC(=O)[C@@H](C)NS(C)(=O)=O 884427202 MCNNGLXQQDGBSA-RNFRBKRXSA-N 263.319 -0.937 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)cn1 906732421 VNOLTYGRLNSOSV-FXBDTBDDSA-N 262.269 -0.594 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CC(c2cccnc2)=NO1 910151976 IASOWWOIPNWEAT-JOYOIKCWSA-N 278.312 -0.082 50 20 CBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)Cc1cccnc1 1118640598 LBNQNYHNZIBDTI-LLVKDONJSA-N 276.296 -0.608 50 20 CBGD C#CCCCC(=O)NNC(=O)CCS(C)(=O)=O 1119910709 CLJDEHFWXYJKCA-UHFFFAOYSA-N 260.315 -0.628 50 20 CBGD C[C@@]1(CNC(=O)NNC(=O)C(=O)NC2CC2)CCOC1 1318578054 IKWMRKNUKMGXQU-LBPRGKRZSA-N 284.316 -0.978 50 20 CBGD COCCOCC(C)=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1318799509 GGCNDTHQAJWGQA-SNVBAGLBSA-N 292.357 -0.424 50 20 CBGD O=C(NNC(=O)C1(O)CCC1)c1n[nH]c2c1CCCC2 1320668423 LBQSZMDUMNWYTP-UHFFFAOYSA-N 278.312 -0.036 50 20 CBGD C[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)n1ccnc1 1323112605 FORFTQJDHBHKKR-JTQLQIEISA-N 280.332 -0.568 50 20 CBGD Cc1cnccc1C(=O)NNC(=O)C(=O)NC(C)C 1324629124 DJFLKRCCZGWYIG-UHFFFAOYSA-N 264.285 -0.324 50 20 CBGD C=CCNC(=S)NNC(=O)c1cc(=O)c(OC)co1 1325107687 KJYFWEWBOCWLJN-UHFFFAOYSA-N 283.309 -0.057 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)C1 1326370915 MHSCMLMTNQFIDP-QMMMGPOBSA-N 267.285 -0.875 50 20 CBGD NNC(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1 1326407934 HITVIYQWXIAIAF-JTQLQIEISA-N 262.313 -0.008 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1C[C@H]1C(C)C 1328214995 LAGMYOKQWZZEJM-YUMQZZPRSA-N 257.290 -0.218 50 20 CBGD CC(C)C(=O)N(C)COc1ccc(B(O)O)cc1 1330829159 RRMMWBDOTYPWPS-UHFFFAOYSA-N 251.091 -0.183 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)C2CCOCC2)C1 1330842607 XIGHXPQUCXBQOM-SECBINFHSA-N 254.286 -0.070 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CC[C@H]1CCOC1 1331309609 PXCMBYYAIHWQPV-VIFPVBQESA-N 271.317 -0.525 50 20 CBGD COc1cccnc1CC(=O)NNC(=O)C(=O)NC(C)C 1334786451 DWKCTUBGDAGZQI-UHFFFAOYSA-N 294.311 -0.695 50 20 CBGD COC[C@H](C)NC(=S)NNC(=O)c1ncccn1 1345088875 DXNLDELNSXMODR-ZETCQYMHSA-N 269.330 -0.380 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CCc2ncncc2C1 1346080935 PBZDAZALEMAXBK-MRVPVSSYSA-N 263.301 -0.116 50 20 CBGD Cc1c[nH]nc1C(=O)NNC(=O)C1CCOCC1 1354127697 CPNDNWMDPOHAMF-UHFFFAOYSA-N 252.274 -0.094 50 20 CBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ncccc1C(=O)O 1574496177 GCHJQACMIPPRMA-RQJHMYQMSA-N 278.268 -0.266 50 20 CBGD CC(C)(C)C(=O)NNC(=O)c1cnc(CN)nc1 1575105924 BMFAZRFQBPXMAV-UHFFFAOYSA-N 251.290 -0.258 50 20 CBGD O=C(/C=C\CN1CCOCC1)NNC(=O)[C@@H]1CCCNC1 1580493366 FRMVFCPGYKUORZ-DTRQGZQOSA-N 296.371 -0.978 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)C(=O)O 1589425109 XJUAPFZJJYPIHH-WDSKDSINSA-N 260.246 -0.804 50 20 CBGD CN1CCC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1=O 1591172574 WRNFRIJNQDNKJV-UHFFFAOYSA-N 299.294 -0.185 50 20 CBGD Cc1c(C(=O)NNC(=O)C2(C(=O)O)CCC2)nnn1C 1594256892 WUSBIYPBDGRRPD-UHFFFAOYSA-N 281.272 -0.861 50 20 CBGD O=C(NNC(=O)[C@@H](C(=O)O)C1CC1)C1CCOCC1 1594779866 YQDCAGKBKNDAFE-VIFPVBQESA-N 270.285 -0.329 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 1601552827 JSBQKMYYRRXEJG-DJLDLDEBSA-N 297.311 -0.251 50 20 CBGD O=C(O)C1(C(=O)COc2ccc(B(O)O)cc2)CC1 1601697812 LARXHNFNFZNQPT-UHFFFAOYSA-N 264.042 -0.821 50 20 CBGD O=C1CC[C@H](C(=O)NNc2ccc(C(=O)O)cn2)N1 1602646588 ORKOVMLJZXVGKU-SSDOTTSWSA-N 264.241 -0.499 50 20 CBGD COC(=O)C1CCC(NC(=O)NNC(=O)C(=O)O)CC1 1606396778 OBKGUGWTKWEAPR-UHFFFAOYSA-N 287.272 -0.867 50 20 CBGD O=C(NC[C@@H]1CC[C@@H](C(F)(F)F)O1)NNC(=O)C(=O)O 1608431775 GNUOYWKFIMNZEE-WHFBIAKZSA-N 299.205 -0.489 50 20 CBGD COc1ccc2c(c1)C(=NNC(=O)NCC(=O)O)C(=O)N2 1610349267 CGJNUKLKEUHOJV-UHFFFAOYSA-N 292.251 -0.265 50 20 CBGD CC(C)(C)C(=O)NCC(=O)NNC(=O)[C@@H]1CCCO1 43111858 SJFXOTUGYXGCGO-QMMMGPOBSA-N 271.317 -0.525 50 20 CBGD Cn1nc(C(=O)NNC(=O)NC2CCCC2)ccc1=O 49430712 QBEGJBJSSUWYJG-UHFFFAOYSA-N 279.300 -0.333 50 20 CBGD COC(=O)NNC(=O)CCCCC(=O)NNC(=O)OC 100049246 BEDJSDJQILYLJA-UHFFFAOYSA-N 290.276 -0.679 50 20 CBGD CN(C)CC(=O)NNC(=O)CNc1ccc(C#N)cc1 113424056 GRIOLXQTXPBELU-UHFFFAOYSA-N 275.312 -0.321 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1ccc(C#N)cc1 155115267 JNSFFUWYMZSTOK-QMMMGPOBSA-N 282.325 -0.061 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNc1nc2ccccn2n1 276893741 YFMMHQOFACSBRI-ZETCQYMHSA-N 278.272 -0.083 50 20 CBGD COc1ncnc(OC)c1C(=O)NNC(=O)C(C)(C)O 277970044 NKBZOGYQFRSOKI-UHFFFAOYSA-N 284.272 -0.974 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@@H](NC(N)=O)C(C)(C)C 282707330 PJOAAGZEAKLDFW-SSDOTTSWSA-N 273.337 -0.192 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cnc2[nH]c(=O)[nH]c2c1 289410730 HUIWALUFGLJBCL-UHFFFAOYSA-N 278.272 -0.443 50 20 CBGD C[C@H]1CN(C)CC[C@H]1NC(=O)c1cc(B(O)O)ccc1F 584937099 LGGJFORQUZREBE-TVQRCGJNSA-N 294.135 -0.425 50 20 CBGD C[C@@H]1C[C@@H](CNC(=O)c2ccc(B(O)O)cc2)CCO1 584970050 LBHAMMVOFFLGRP-MNOVXSKESA-N 277.129 -0.089 50 20 CBGD C[C@H](O)[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 584971063 KJMDTWCZNOKWIA-GWCFXTLKSA-N 277.129 -0.258 50 20 CBGD CCO[C@@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)[C@@H]1OC 584973490 AFLWWAOKPHADHZ-XQQFMLRXSA-N 293.128 -0.711 50 20 CBGD C/C=C/C[C@@H](CO)NC(=O)c1cc(B(O)O)ccc1F 584978149 QVYJGGXHZYFRKH-PBKGFPTLSA-N 281.092 -0.438 50 20 CBGD COC[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@H](C)O1 584979512 WCYVLDNIFWBVCB-GWCFXTLKSA-N 293.128 -0.758 50 20 CBGD CO[C@@H]1CC[C@@H](NC(=O)c2cc(B(O)O)ccc2F)C1 584980034 OCCZRBLPECHYJZ-NXEZZACHSA-N 281.092 -0.197 50 20 CBGD CC1(C)[C@H](O)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584991308 AQFYDUMZVPWESM-LLVKDONJSA-N 281.092 -0.509 50 20 CBGD OCCCSCCNCc1cccc(B(O)O)c1 585021857 OXQWRGZNIBLEOA-UHFFFAOYSA-N 269.175 -0.428 50 20 CBGD C[C@@H]([C@@H](C)NCc1ccc(B(O)O)cc1)N1CCOCC1 585024047 PSDRTQNPVUBMHH-OLZOCXBDSA-N 292.188 -0.435 50 20 CBGD C=CC[C@@H](CO)CNCc1ccc(B(O)O)cc1F 585035906 ZNSZYOQHVWOEMI-SNVBAGLBSA-N 267.109 -0.220 50 20 CBGD O=S(=O)(Cc1cc(F)ccc1Cl)NCB(O)O 585057772 ZRLYRGGUONZEER-UHFFFAOYSA-N 281.501 -0.090 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc(Cl)c[nH]2)N1 732307896 QLDOHPQYEHTLNW-ZCFIWIBFSA-N 270.676 -0.292 50 20 CBGD CC(C)C(=O)NNC(=O)C(C)(C)S(C)(=O)=O 733126759 UCNSQVPKUDUZBX-UHFFFAOYSA-N 250.320 -0.387 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)COCc2ccccc2)CC1 737922890 DUIRXCYSBUROBC-UHFFFAOYSA-N 291.307 -0.384 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@@H]1C(=O)O)NC1CCCC1 739454292 QLEGSZDTHHSCGE-YUMQZZPRSA-N 255.274 -0.020 50 20 CBGD CNC(=O)NNC(=O)c1ccccc1Cn1cncn1 742577978 VAGLERPJKZBQFP-UHFFFAOYSA-N 274.284 -0.100 50 20 CBGD CCOCCNC(=S)NNC(=O)[C@H](C)OCCOC 748608029 QLUXLTAKEBSBBO-VIFPVBQESA-N 293.389 -0.430 50 20 CBGD CSCCNC(=S)NNC(=O)C(=O)N1CCCC1 752751650 LQQNHILKNQWOII-UHFFFAOYSA-N 290.414 -0.533 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCn2cccc2)cn1 753050906 WITLDXLUCLBURC-UHFFFAOYSA-N 276.300 -0.134 50 20 CBGD O=C(NNC(=O)[C@@H]1COCCN1CC(F)F)C1CC1 771605005 ZMNDYOVWSXOLEV-QMMMGPOBSA-N 277.271 -0.490 50 20 CBGD CC(C)NC(=O)Nc1cccc(C(=O)NNC(=O)CO)c1 777782938 YBBKBQFFFXSSSX-UHFFFAOYSA-N 294.311 -0.030 50 20 CBGD COC1(CC(=O)NNC(=O)C(=O)N2CCCC2)CCC1 790548526 GJRHPSGGLAOKRM-UHFFFAOYSA-N 283.328 -0.285 50 20 CBGD C=CCNC(=O)CNC(=O)NNC(=O)c1cccc(C)n1 793042761 SFIKXABEVGTVOO-UHFFFAOYSA-N 291.311 -0.364 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CC2OCCO2)n1 794087293 MUQSTPHWEUYXFA-UHFFFAOYSA-N 265.269 -0.086 50 20 CBGD C[C@@H]1CCNC(=O)[C@H]1NCC(=O)NNC(=O)C(C)(C)C 799346307 ISKSHWZPAALKHC-SCZZXKLOSA-N 284.360 -0.706 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@]2(C)CCOC2)CC1 807383164 MWLGQYVWGVTOJM-LBPRGKRZSA-N 270.333 -0.599 50 20 CBGD CN1CCN(C(=O)NNC(=O)CCc2cnc[nH]2)CC1 807383890 QPLANVBSXBLHAP-UHFFFAOYSA-N 280.332 -0.670 50 20 CBGD O=C(NN=C[C@@H]1CCCOC1)N[C@@H]1CCS(=O)(=O)C1 814814318 HCBQCJGYJOJXOX-VHSXEESVSA-N 289.357 -0.115 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)NCc1ccco1 823793585 PAQVIZVNKHSYJX-VIFPVBQESA-N 271.273 -0.229 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CSc1nncs1 823964848 FDWFLWRIJHCNFC-LURJTMIESA-N 262.360 -0.026 50 20 CBGD O=C(COCc1ccccc1)NNC(=O)N[C@@H]1CCNC1 841939689 UPDPWEXAPPVBCV-GFCCVEGCSA-N 292.339 -0.105 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cn1ccc([N+](=O)[O-])n1 843643384 IBNYCSBZQVMQQH-SFYZADRCSA-N 297.271 -0.636 50 20 CBGD COc1c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(C)nn1C 843654080 PQIZAMZMMWEUHG-DTWKUNHWSA-N 296.327 -0.077 50 20 CBGD CNC(=O)NCC(=O)NNc1ccc(CC(=O)OC)cc1 846377865 OEPMYFLTSNYPSS-UHFFFAOYSA-N 294.311 -0.226 50 20 CBGD Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2CC(=O)N2)c1 854191814 UUARVISAHGUVQX-JTQLQIEISA-N 291.307 -0.282 50 20 CBGD CN(C)c1cccc(C(=O)NNC(=O)C[C@H]2CC(=O)N2)c1 854264002 SAMNEJSBUQOLEV-SNVBAGLBSA-N 290.323 -0.208 50 20 CBGD C=C(CN(C)C)C(=O)NN(C)C(=S)NCCCOC 854284250 CBSOULFJWHVWHZ-UHFFFAOYSA-N 288.417 -0.022 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ccc(CO)cc2)CC1 854378869 GDIKFXDXSYECOV-UHFFFAOYSA-N 292.339 -0.219 50 20 CBGD O=C(NNC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21)C(=O)NC1CC1 858167815 IYOJYWKETQNNKC-FRRDWIJNSA-N 299.330 -0.002 50 20 CBGD Cc1cc(=NNC(=O)C[C@H]2SC(=N)NC2=O)cc[nH]1 862510589 LRCYAMNZKWXVEX-MRVPVSSYSA-N 279.325 -0.189 50 20 CBGD O=C(/C=C\CN1CCOCC1)NNC(=O)C1CCC1 865701895 RNVJYIYWVZWZOQ-DJWKRKHSSA-N 267.329 -0.178 50 20 CBGD N[C@H]1C[C@H](CNS(=O)(=O)CBr)C1 866806917 NLQASZLNPZXJLQ-IZLXSQMJSA-N 257.153 -0.005 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@]1(C)CCNC1=O 873765781 PBTZZIBIVQVTPJ-JTQLQIEISA-N 256.331 -0.806 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C1(CN(C)C)CC1 873836918 FRTSZOCWDUZKMK-UHFFFAOYSA-N 270.333 -1.000 50 20 CBGD O=C(CO)NNC(=O)Cn1nc(C(F)F)cc1C1CC1 879395250 DHENHTSYQKRCHC-UHFFFAOYSA-N 288.254 -0.162 50 20 CBGD CC(=O)NC[C@H]1CN(S(=O)(=O)CCCCl)CCO1 881907214 LZAZNYWHDRZMDC-JTQLQIEISA-N 298.792 -0.218 50 20 CBGD C#CCCCC(=O)NNC(=O)CNC(=O)C1CC1 887141845 LHUHGPMJFMHCDW-UHFFFAOYSA-N 251.286 -0.537 50 20 CBGD CC(C)CN1C[C@H](C(=O)NN(C)C[C@@H](C)O)CC1=O 910172970 IAIRYPLADAVCPA-GHMZBOCLSA-N 271.361 -0.165 50 20 CBGD COc1cc(OC)nc(C(=O)NN(C)[C@H](C)CO)n1 911445546 XTBSZUYZKXRYLJ-SSDOTTSWSA-N 270.289 -0.549 50 20 CBGD O=C(CC[C@@H]1CCOC1)NNC(=O)CN1CCCC1=O 913731808 XFDGWMZIHCYVRW-SNVBAGLBSA-N 283.328 -0.427 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1ccon1 1116198107 ALJWCBQFJGADRE-QMMMGPOBSA-N 286.288 -0.444 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@@H]2CC23CCOCC3)nn1 1116252483 DMZAHBBPVJNIGF-QMMMGPOBSA-N 291.311 -0.165 50 20 CBGD C[C@H]1C[C@@H](C(=O)NNC(=O)Cc2cc[nH]n2)CCO1 1116560402 LENSYNRSXQDUOW-IUCAKERBSA-N 266.301 -0.085 50 20 CBGD C[C@@]1(CNC(=O)Cn2ncnn2)C[C@H]1Br 1121227389 TYOCRBSUAIVJST-SVRRBLITSA-N 274.122 -0.037 50 20 CBGD COC(=O)C(=O)NN=Cc1cnc([C@H](C)O)s1 1320865029 HHBVYZNYEAHASO-YFKPBYRVSA-N 257.271 -0.181 50 20 CBGD O=C(COCc1ccncc1)NNC(=O)Cc1cc[nH]n1 1324306476 UBSRUABINGEZAD-UHFFFAOYSA-N 289.295 -0.289 50 20 CBGD O=C(NNC(=O)c1cnn(CCF)c1)C(=O)N1CCCC1 1324750500 HXYQZYXRDGLASX-UHFFFAOYSA-N 297.290 -0.764 50 20 CBGD C[C@@H](C[C@@H](C)N)NC(=O)NNC(=O)C1CCNCC1 1326810981 RJVWERLRJDTJFY-BDAKNGLRSA-N 271.365 -0.558 50 20 CBGD Nc1cnnc(NNC(=O)C[C@@H]2CCC(=O)N2)c1Cl 1328276658 RADZNBCNCMHGEA-YFKPBYRVSA-N 284.707 -0.176 50 20 CBGD Cc1cc(NC(=O)C(=O)NNC(=O)C2CC2)ncc1C#N 1329898069 MBGFLANUQIVZSD-UHFFFAOYSA-N 287.279 -0.242 50 20 CBGD Cn1nc(C(C)(C)C)cc1NC(=O)NNC(=O)CO 1337766641 ORXCSPJQHVGUNA-UHFFFAOYSA-N 269.305 -0.137 50 20 CBGD CCNC(=O)N(C)NC(=O)Cn1cc(C2CC2)nn1 1342691041 IHGAKNSFMVBBIA-UHFFFAOYSA-N 266.305 -0.152 50 20 CBGD CC(C)CC(=O)NNC(=O)N[C@H](C)[C@H]1CN(C)CCN1C 1519901583 CLTLXTGJVAXLPX-VXGBXAGGSA-N 299.419 -0.003 50 20 CBGD CN1CCC(=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)C1=O 1549319311 HDSVALMGPDYUBG-ONGXEEELSA-N 280.328 -0.816 50 20 CBGD Cc1nnc(NNC(=O)[C@@H]2CO[C@H](CCC(=O)O)C2)n1C 1574436179 HHEFUWJTAXISRU-DTWKUNHWSA-N 297.315 -0.163 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cccc(CC(=O)O)c1 1588514682 UNMUFUCVUHSOAM-UHFFFAOYSA-N 279.252 -0.581 50 20 CBGD CC(C)(C)[C@H](C(=O)O)C(=O)NNC(=O)c1ccnnc1 1588633364 HVVIARRFQOWWLI-QMMMGPOBSA-N 280.284 -0.016 50 20 CBGD CCO/C=C(\C#N)C(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1 1591764832 CLTJCQNDADHFEZ-KMPYKGPWSA-N 280.280 -0.010 50 20 CBGD CCOCC(=O)NNC(=O)Nc1cc(C(=O)O)ccn1 1591877699 SETMQAPOVWDOAQ-UHFFFAOYSA-N 282.256 -0.031 50 20 CBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)C(=O)Nc1ccccn1 1594755379 IGQDBYFRNHRCAH-SSDOTTSWSA-N 294.267 -0.722 50 20 CBGD CSC1(CNC(=O)NNC(=O)C(=O)O)CCOCC1 1599785422 LBQVVHNIUUZCGD-UHFFFAOYSA-N 291.329 -0.686 50 20 CBGD Cn1nc(NC(=O)NNC(=O)c2ccc[nH]2)cc1C(=O)O 1601014594 GZPOGJVPBYEBIL-UHFFFAOYSA-N 292.255 -0.087 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1ccc(C(=O)O)cn1 1610240607 GSDMOJGDZIPJHX-UHFFFAOYSA-N 296.283 -0.672 50 20 CBGD O=C(CCc1ccccc1O)NNC(=O)c1c[nH]nn1 104646467 CXZCIGIYDDOPOX-UHFFFAOYSA-N 275.268 -0.096 50 20 CBGD Cn1/c(=N/NC(=O)CNC(=O)CN)sc2ccccc21 124479822 QEKDVCGMIFFZAO-VBKFSLOCSA-N 293.352 -0.753 50 20 CBGD CCO[C@H]1C[C@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1 269321868 SMGVIJFBKQBPOI-SVRRBLITSA-N 292.299 -0.063 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)O)cc1 276060144 CLVBDILEEBMZMQ-SECBINFHSA-N 252.270 -0.098 50 20 CBGD C=CCCO[C@H](C)C(=O)NNC(=O)N1CCN(C)CC1 278689128 RBFRCAOFIMQIBW-LLVKDONJSA-N 284.360 -0.044 50 20 CBGD O=Cc1c[nH]c(C(=O)NNC(=O)[C@@H]2CCCO2)c1 294110503 SFDKKACLSVARBN-VIFPVBQESA-N 251.242 -0.233 50 20 CBGD N#C[C@H]1CC[C@@H](NC(=O)c2cc(B(O)O)ccc2F)C1 584999356 AKRFWYLBYQKCDF-WCBMZHEXSA-N 276.076 -0.072 50 20 CBGD C[C@H]1CN(C)CC[C@@H]1NCc1cccc(B(O)O)c1 585022176 KJNYCMXOSFEXMF-FZMZJTMJSA-N 262.162 -0.204 50 20 CBGD C[C@@H](CC[S@@](C)=O)NCc1ccc(B(O)O)cc1 585031807 YMSLBOBKDPNRLA-XTZNXHDOSA-N 269.175 -0.387 50 20 CBGD CO[C@H]1CCC[C@@H]1CNCc1ccc(B(O)O)o1 585034211 KDQKIXOKKVNCIA-KOLCDFICSA-N 253.107 -0.136 50 20 CBGD OB(O)c1ccc(CNC[C@H](O)C(F)F)c(F)c1 585039974 XSLQJJTXEJSXOC-VIFPVBQESA-N 263.024 -0.779 50 20 CBGD CC(C)(CO)CCNCc1cccc(B(O)O)c1 585043763 QQFUZPJETXSURG-UHFFFAOYSA-N 251.135 -0.135 50 20 CBGD Cc1ccnc2c(S(=O)(=O)NCB(O)O)cccc12 585059169 BHZVUWZAVYCKNQ-UHFFFAOYSA-N 280.114 -0.166 50 20 CBGD O=C(Cc1cnn(-c2ccccc2)c1)NCB(O)O 585060532 FVYMVIQUSJUAAG-UHFFFAOYSA-N 259.074 -0.457 50 20 CBGD CC(C)(C)[C@H](Br)C(=O)NCB(O)O 585063439 ZEJIHLWMNANVGB-RXMQYKEDSA-N 251.917 -0.076 50 20 CBGD CS(=O)(=O)CCNC(=O)NNc1cncc(Cl)n1 727943163 ZNUKLDKBRFBMAD-UHFFFAOYSA-N 293.736 -0.199 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)C1=COCCO1 730778103 IYYHVVWYBFAVTJ-UHFFFAOYSA-N 294.263 -0.193 50 20 CBGD CCS(=O)(=O)NCCNC(=O)NNC(=O)C1CCC1 732245903 IZPZBGMGDNALOA-UHFFFAOYSA-N 292.361 -0.944 50 20 CBGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCOC1 741761694 GKBOGKHHTDDWMU-NXEZZACHSA-N 289.357 -0.115 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CCCN1c1ncccn1 747366229 FZTOPBRMNRUEBC-SECBINFHSA-N 278.316 -0.204 50 20 CBGD CNc1cc(C(=O)NNC(=O)CO)cc(Cl)n1 753439647 RYCJTFPOIVEOMC-UHFFFAOYSA-N 258.665 -0.470 50 20 CBGD Cc1noc(C)c1[C@@H](C)CC(=O)NNC(=O)CO 753445259 XDSLQEHYBFJCNU-LURJTMIESA-N 255.274 -0.075 50 20 CBGD CC(CN1C(=O)CCC1=O)=NNC(=O)CN1CCCC1=O 754916833 HEKHVWYUSNPBRJ-UHFFFAOYSA-N 294.311 -0.750 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc(-n2ccnn2)cc1 756313142 IMZBBDLQZFBTNX-UHFFFAOYSA-N 276.256 -0.588 50 20 CBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)NCC 761146240 BDOISGYSGTYKDV-UHFFFAOYSA-N 280.350 -0.944 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1cc(F)ccc1F 764420402 FWESOBNBLSLQHV-UHFFFAOYSA-N 273.195 -0.957 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](OCCOC)C1 781961316 DRNBOYIJBFHSOU-MNOVXSKESA-N 287.360 -0.330 50 20 CBGD CN(C)CC(=O)NNC(=O)CCC(=O)c1cnn(C)c1 795070925 PADSWSDRLPINSS-UHFFFAOYSA-N 281.316 -0.908 50 20 CBGD Cc1cc[nH]c1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 798108964 KSHNFIYKLZFMAY-ZETCQYMHSA-N 288.329 -0.978 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1cnc2[nH]nnc2c1 802025055 QIBDJUWYQNALEG-UHFFFAOYSA-N 298.266 -0.364 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)Cn1cc(Cl)cn1 806808999 SAPUBIJTPDPHDT-UHFFFAOYSA-N 282.691 -0.350 50 20 CBGD COC(=O)c1cc(C=NNC(=O)C(=O)N2CCCC2)on1 814824730 IEBZLJJQSVMWRN-UHFFFAOYSA-N 294.267 -0.466 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNc1ncncc1F 817082790 LUDOJDBEHKIMRS-SSDOTTSWSA-N 253.237 -0.320 50 20 CBGD CCCCS(=O)(=O)CC(=O)NN(C)C[C@@H](C)O 822557674 NPYSVJQOWANOSC-SECBINFHSA-N 266.363 -0.455 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 823847306 VENKNBZPUPQGTE-GFCCVEGCSA-N 283.372 -0.020 50 20 CBGD CCN(CCO)NC(=O)CNC(=O)OC(C)(C)C 823852993 WFHJCSMSADZHLG-UHFFFAOYSA-N 261.322 -0.144 50 20 CBGD CC1=C(C(=O)NN(C)[C@H](C)CO)[C@@H](C)n2nnnc2N1C 823917528 JOTBTDZURHFBKB-VXNVDRBHSA-N 295.347 -0.698 50 20 CBGD CO[C@H](C(=O)NN(C)[C@@H](C)CO)c1cnn(C)c1 823929194 VZXBFIZRPKBOAC-WPRPVWTQSA-N 256.306 -0.549 50 20 CBGD CCCCS(=O)(=O)NCC(=O)NN(C)[C@H](C)CO 823938878 BKNSZVUFLCYLKW-SECBINFHSA-N 281.378 -0.950 50 20 CBGD C[C@H](CO)N(C)NC(=O)CN(C)[C@H]1CCSC1 823939621 MULUTGHLFCCKIE-ZJUUUORDSA-N 261.391 -0.233 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=S)NC[C@@H]1CCOC1 843276567 DILVXGBBIYLBCR-GUBZILKMSA-N 287.385 -0.057 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ncccc1O 843970697 JOLVHWLQHUNCJD-JGVFFNPUSA-N 265.269 -0.027 50 20 CBGD CCOC(=O)NCCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843971586 CMUZCNPZNWVIOE-IUCAKERBSA-N 287.316 -0.305 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccnc1O 843972097 FTKYEGNZXOZYAS-JGVFFNPUSA-N 265.269 -0.027 50 20 CBGD CN(C)CC(=O)NNC(=O)c1scc2c1OCCO2 848370094 ZSVRGQJHXNJOKW-UHFFFAOYSA-N 285.325 -0.158 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)c1nc2ncccn2n1 854682937 HZGQYGMKYOSXPN-MRVPVSSYSA-N 290.283 -0.546 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@H](O)c1cnn(C)c1)C1CC1 855097042 IGILNTUSRWTJQL-GMSGAONNSA-N 297.384 -0.253 50 20 CBGD C[C@@]1(C(=O)NNC(=O)CO)CC(c2ccccc2)=NO1 857170330 NXCCJDDOUOBUKF-ZDUSSCGKSA-N 277.280 -0.291 50 20 CBGD Cn1nncc1NNC(=O)C1(n2cnnn2)CCCCC1 857269537 ANVWYPOFZNXSLO-UHFFFAOYSA-N 291.319 -0.396 50 20 CBGD Cc1ccnn1CC(=O)NNC(=O)N1CCOCC1 858905539 CNSUKONHZSYIGB-UHFFFAOYSA-N 267.289 -0.735 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1CC(OC)C1 859846841 JQIPJUSJVVVMSZ-AFPNSQJFSA-N 272.301 -0.100 50 20 CBGD CCn1ncc(C)c1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 861211840 PONMKMAIJNMEMQ-MRVPVSSYSA-N 294.315 -0.357 50 20 CBGD CCCc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)n[nH]1 862449653 INJZTBSZZZWMJV-MRVPVSSYSA-N 279.300 -0.598 50 20 CBGD Cc1nccc(CCC(=O)NNC(=O)c2cn[nH]c2)n1 862469583 OYRZJUKMYQGOKM-UHFFFAOYSA-N 274.284 -0.098 50 20 CBGD CS(=O)(=O)CC(=O)NN=Cc1ccnn1CC1CC1 863183966 QUTQDHJOQQXYOB-UHFFFAOYSA-N 284.341 -0.212 50 20 CBGD O=C1CC[C@@H](C(=O)NNS(=O)(=O)CCCCCl)N1 863413100 PDPYOAIJMUXTBP-ZETCQYMHSA-N 297.764 -0.765 50 20 CBGD CC[C@@](C)(NC(=O)c1ccc(B(O)O)cc1)C(=O)OC 863872663 WRFDYRFUUJEJMN-CYBMUJFWSA-N 279.101 -0.562 50 20 CBGD O=C(NC[C@@H]1CCC=CO1)c1cc(B(O)O)ccc1F 863879907 HCOMZRKSZSJWAR-JTQLQIEISA-N 279.076 -0.072 50 20 CBGD C[C@@H](C[C@@H]1CCOC1)NC(=O)c1cccc(B(O)O)c1 866585246 OTOMEHAXNKAAQJ-QWRGUYRKSA-N 277.129 -0.089 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)[C@@H]1COC[C@H]1O 886514117 HHMPSEBDVIYRSA-HBNTYKKESA-N 287.360 -0.740 50 20 CBGD CO[C@H]1CCC[C@H](C(=O)NNC(=O)CN2CCCC2=O)C1 913733180 YOADMJTUOLQBNO-QWRGUYRKSA-N 297.355 -0.039 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)c1ccccn1 920395941 QXNIGMJHLUZCSZ-MRVPVSSYSA-N 264.285 -0.243 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)Cc2cccnc2)CC1=O 1115982576 QRYZHYZYIYMMEX-LLVKDONJSA-N 290.323 -0.360 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cccc(O)n2)cn1 1117006883 LLRXXHABCRAJIJ-UHFFFAOYSA-N 261.241 -0.405 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@H]1CCCCO1)[C@@H]1CCC(=O)N1 1118933886 KUYINWWXKQFWBB-LPEHRKFASA-N 283.328 -0.382 50 20 CBGD C[C@@H]1Cn2nc(C(=O)NNc3ncccn3)cc2CN1 1120463223 ZUZGWZKFMOCRJZ-MRVPVSSYSA-N 273.300 -0.078 50 20 CBGD O=C(CCO)NNC(=O)Nc1cccc2c1OCCO2 1254982399 XWELZUCODBBSSW-UHFFFAOYSA-N 281.268 -0.007 50 20 CBGD CCCN(CC)C[C@@H](C)NC(=O)NNC(=O)C(=O)OC 1261212552 DOWXVOQDCLWOLP-SECBINFHSA-N 288.348 -0.390 50 20 CBGD CCn1nc(C(=O)NN(C)C(=S)NC)ccc1=O 1261744839 RHWPVSNRKRYFNJ-UHFFFAOYSA-N 269.330 -0.656 50 20 CBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1c(C)nc(O)nc1O 1261832993 IJRQUUREDLGXTQ-ZETCQYMHSA-N 293.283 -0.685 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cnn2ccccc12 1318885302 DEEAZZOLCBOIFA-UHFFFAOYSA-N 289.295 -0.380 50 20 CBGD Cc1cc(CC(=O)NNC(=S)NC[C@@H]2CCOC2)n[nH]1 1319391562 QJUQZJXHJRCACD-VIFPVBQESA-N 297.384 -0.208 50 20 CBGD COc1cc(OC)c(NC(=O)C(=O)NNC(C)=O)cc1F 1320349196 WCUDODMFIMBESU-UHFFFAOYSA-N 299.258 -0.051 50 20 CBGD O=C(CO)NN=Cc1cnc(C2OCCO2)s1 1321953712 HWPLBHJFBQCUIU-UHFFFAOYSA-N 257.271 -0.369 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)[C@@](C)(O)C3CC3)nc21 1322423081 CKIVRHDMQMDITJ-LBPRGKRZSA-N 292.299 -0.327 50 20 CBGD N#Cc1ccc(NC(=O)C(=O)NNC(=O)CCO)cc1F 1324598056 BNKYKLKFSIPMQL-UHFFFAOYSA-N 294.242 -0.834 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)Cc1nc[nH]n1 1325989653 JWEIQIBCPYIPQT-SFYZADRCSA-N 282.304 -0.598 50 20 CBGD COCc1nn(C)cc1C(=O)NN(C)[C@H](C)CO 1332471146 VFZYXNKUDPNWLD-MRVPVSSYSA-N 256.306 -0.476 50 20 CBGD CO[C@H](C)CN(C)C(=O)NNC(=O)c1cccnn1 1333608479 QUYCIOSLDQGGFV-MRVPVSSYSA-N 267.289 -0.202 50 20 CBGD COCC1(O)CCN(CC(=O)NNC(=O)C2CC2)CC1 1335931432 BEMKPGKSEBRYRC-UHFFFAOYSA-N 285.344 -0.983 50 20 CBGD O=C(CN1CCC(CO)CC1)NNc1ccncn1 1337253932 QCICTBIWSVCBAP-UHFFFAOYSA-N 265.317 -0.376 50 20 CBGD O=C(COCc1ccccn1)N1CC[C@@H](B(O)O)C1 1350601572 OCEUWYXEQYOZKS-SNVBAGLBSA-N 264.090 -0.327 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN[C@@H]1C[C@H](N)C1(C)C 1575106907 XXBDTQXAAHYWJG-DTWKUNHWSA-N 270.377 -0.105 50 20 CBGD C[C@@]1(C(=O)NNC(=O)NCCN)C[C@@H]1Br 1576351354 YMMQHASAMOMKLZ-YLWLKBPMSA-N 279.138 -0.551 50 20 CBGD COC(=O)c1cccc(NNC(=O)[C@@H](O)CN)c1 1578878442 XXAMPCDLMKPFGT-VIFPVBQESA-N 253.258 -0.764 50 20 CBGD Cc1cnn(C)c1C(=O)NNC(=O)NC1CCNCC1 1579826937 VKNBZXLAVLIERN-UHFFFAOYSA-N 280.332 -0.575 50 20 CBGD CC(C)N(C)C[C@H](C)NC(=O)NNC(=O)C(=O)O 1591556183 YJGMCOBJNBTAAR-ZETCQYMHSA-N 260.294 -0.870 50 20 CBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)o1)c1ccc[nH]1 1593158144 GXSIFFDBVAVLSC-UHFFFAOYSA-N 287.239 -0.137 50 20 CBGD O=C(O)CN1CCC(NS(=O)(=O)CCl)CC1 1595080442 AIISGOKIMHFVDA-UHFFFAOYSA-N 270.738 -0.349 50 20 CBGD CNC(=O)NCC(=O)NNc1ccc(C(=O)O)c(F)c1 1598652101 OUOLBDMDROJGOA-UHFFFAOYSA-N 284.247 -0.104 50 20 CBGD CO[C@](C)(C1CC1)[C@H](C)NC(=O)NNC(=O)C(=O)O 1599036396 WCIUZNYOTIQFMF-KGFZYKRKSA-N 273.289 -0.395 50 20 CBGD O=C(O)CNC(=O)CNS(=O)(=O)CCCCCl 1602070633 CEQSHZALAFQDLY-UHFFFAOYSA-N 286.737 -0.874 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCN(CC(=O)O)CC1 1605617941 DOZZEEHVSYUDOR-MDZDMXLPSA-N 267.285 -0.341 50 20 CBGD O=C(CC1OCCO1)NNc1ncccc1C(=O)O 1605670816 WICZAKXUEUYCRH-UHFFFAOYSA-N 267.241 -0.014 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)c1ccc(=O)[nH]c1 81026865 CIAITXUWLMMTSD-UHFFFAOYSA-N 272.264 -0.226 50 20 CBGD C[C@H](NC(=O)c1ccoc1)C(=O)NNC(=O)CN(C)C 170796964 FDGHYGPKOFRLAE-QMMMGPOBSA-N 282.300 -0.893 50 20 CBGD Cc1ccc(NNC(=O)N[C@@H]2C(=O)NCC[C@@H]2C)nn1 194003323 QPTOKMPEZPJPRB-XVKPBYJWSA-N 278.316 -0.064 50 20 CBGD CN(CCO)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 267888016 GYWJIYCGQXXZSY-UHFFFAOYSA-N 296.283 -0.720 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccnn1CC(F)F 280764225 YHRQKYABEMYQTQ-UHFFFAOYSA-N 275.259 -0.529 50 20 CBGD Cc1ncccc1CC(=O)NNC(=O)CN(C)C 287848452 VTJJVDPTPYOTNC-UHFFFAOYSA-N 250.302 -0.358 50 20 CBGD CCn1nncc1C(=O)NNC(=O)c1cc(C)n[nH]1 294464758 HNIDKQGRPAYDMC-UHFFFAOYSA-N 263.261 -0.596 50 20 CBGD C[C@@H]1COCCN1C(=O)c1ccc(B(O)O)c(F)c1 584930713 BQIVCJCDXADNES-MRVPVSSYSA-N 267.065 -0.634 50 20 CBGD CN(C(=O)c1ccc(B(O)O)c(F)c1)[C@H]1CCOC1 584942705 CVMCFLWUTSWJRZ-VIFPVBQESA-N 267.065 -0.634 50 20 CBGD C[C@H](CO)[C@@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584962287 CPFRBLPCAHYEBY-HTQZYQBOSA-N 269.081 -0.748 50 20 CBGD COCCC(C)(C)NC(=O)c1ccc(B(O)O)cc1 584975358 MWHYUDBKUIQVIZ-UHFFFAOYSA-N 265.118 -0.089 50 20 CBGD CO[C@@H](C)CN(C)C(=O)c1ccc(B(O)O)c(F)c1 584988627 BRPFYVCZLDNIAK-QMMMGPOBSA-N 269.081 -0.388 50 20 CBGD C[C@@H]1CCC[C@@]1(O)CNC(=O)c1ccc(B(O)O)c(F)c1 584994375 IAMKRYUNLCDEBB-YMTOWFKASA-N 295.119 -0.214 50 20 CBGD C[C@@H]1CN(C2CC2)C[C@H]1NCc1ccccc1B(O)O 585028700 ONFCLWGTCHUVHK-IAQYHMDHSA-N 274.173 -0.061 50 20 CBGD C[C@@H](CC[S@](C)=O)NCc1ccccc1B(O)O 585029557 ATKKHEQBBYTPOR-YPMLDQLKSA-N 269.175 -0.387 50 20 CBGD C[C@H](NCc1ccc(B(O)O)o1)C1(S(C)(=O)=O)CC1 585041108 UDHIJVYAPXZQNN-QMMMGPOBSA-N 287.146 -0.985 50 20 CBGD OB(O)c1ccc(CN[C@@H]2COc3ccccc3[C@H]2O)cc1 585041908 XHRBJSKKEXUIBC-GDBMZVCRSA-N 299.135 -0.049 50 20 CBGD C[C@H](COCC(=O)NCB(O)O)c1ccccc1 585062523 KBRRZKIADYWJEN-SNVBAGLBSA-N 251.091 -0.065 50 20 CBGD CNC(=O)NNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 746160215 XQNUXBUAXMNXHJ-CQSZACIVSA-N 292.339 -0.416 50 20 CBGD Cn1c(=O)oc2cc(NC(=O)NNC(=O)CO)ccc21 756365057 YANWKIBDWQCQFP-UHFFFAOYSA-N 280.240 -0.724 50 20 CBGD CC(C)(C)C(=O)NNC(=O)Cn1nccc1[N+](=O)[O-] 769659844 KQCOTALUIMXXFJ-UHFFFAOYSA-N 269.261 -0.015 50 20 CBGD COC(=O)c1cncc(C(=O)NNC(=O)CN(C)C)c1 774288223 JMIPEUJIHYEUIL-UHFFFAOYSA-N 280.284 -0.809 50 20 CBGD COC(=O)CNC(=O)CCN1CC=C(C#N)CC1 779588477 ALJJMKXKSURZSP-UHFFFAOYSA-N 251.286 -0.179 50 20 CBGD O=C(Cn1cccnc1=O)NNc1ncncc1Cl 781819990 MEKZSSATNABMKL-UHFFFAOYSA-N 280.675 -0.170 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@](F)(C#N)C1 786438578 VBUWINCSTWKIBY-KWQFWETISA-N 256.281 -0.130 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cnn[nH]1 788163218 HRDIRUAJZXPLRN-UHFFFAOYSA-N 271.277 -0.645 50 20 CBGD CC1(C)CN(CC(=O)NNC(=O)C2CC2)C[C@@H]1O 790451125 QUDTZHZHISWUDS-VIFPVBQESA-N 255.318 -0.754 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=O)NCC(F)(F)F 798315015 KXVFZPBTRAGQOD-SSDOTTSWSA-N 273.211 -0.724 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)C1(O)CCC1 802034192 CYQHBHCFFIOSST-UHFFFAOYSA-N 250.258 -0.429 50 20 CBGD Cc1ncc2n1C[C@H](C(=O)NN(C)C(N)=O)CC2 816958335 NZEBWDFBBVCMET-MRVPVSSYSA-N 251.290 -0.204 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C)N(C)C 820215821 HLYQNSBBPLNKDS-MRVPVSSYSA-N 272.349 -0.611 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@H](C)OC 821459548 KGMLTKKAVGVNIY-DTWKUNHWSA-N 277.321 -0.597 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCc2cncn2C1 823922988 NZWIODBOXXSOMK-UWVGGRQHSA-N 252.318 -0.211 50 20 CBGD COCCn1cc(C(=O)NN(C)[C@@H](C)CO)c(C)n1 823934554 HNWASBVSUWANGK-VIFPVBQESA-N 270.333 -0.205 50 20 CBGD C[C@@H](NNC(=O)c1cc(=O)n(C)cn1)C(F)(F)F 824831466 OANRTEMSSFJPDH-RXMQYKEDSA-N 264.207 -0.035 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)C(=O)N(C)C 825721137 JUUQLLULADPXEP-DJLDLDEBSA-N 286.332 -0.782 50 20 CBGD COC(=O)NCCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 826927262 CUEBTPULXNEKMK-JGVFFNPUSA-N 288.304 -0.902 50 20 CBGD COCCN(CC(=O)OC)S(=O)(=O)CCl 830510161 SPCUHLDSSRUFFT-UHFFFAOYSA-N 259.711 -0.366 50 20 CBGD Cc1ncc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)[nH]1 843975990 VXDHTPYWGYQPRN-SVRRBLITSA-N 252.274 -0.096 50 20 CBGD CCn1ccc(CC(=O)NNC(=O)N2CCOCC2)n1 845337651 ZYKITQSRYXRSEE-UHFFFAOYSA-N 281.316 -0.482 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cnc2cccnn12 845993043 UDUBPLMUTCHHNJ-UHFFFAOYSA-N 263.257 -0.739 50 20 CBGD COCCN(C)NC(=O)COCc1nnc(C)s1 848378583 WOSUGFGERVMAGG-UHFFFAOYSA-N 274.346 -0.027 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@H](COC)OC 854284921 BLXGTRVWIMMYOG-VIFPVBQESA-N 293.389 -0.478 50 20 CBGD CCOC(=O)NCCCC(=O)NN(C)C(=S)NC 854923334 RPEMJXAYVBHMRY-UHFFFAOYSA-N 276.362 -0.020 50 20 CBGD CN1CC[C@H](NC(=O)NNc2ncc(Cl)cn2)C1=O 856867387 RBWKJJFEOCAWET-ZETCQYMHSA-N 284.707 -0.013 50 20 CBGD CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862464202 UTXOZZJHDRYCJL-IWSPIJDZSA-N 283.328 -0.384 50 20 CBGD CNC(=O)NCCC(=O)NN=c1cc[nH]c(C)c1 862513177 BDRWHASIXBSJKN-UHFFFAOYSA-N 251.290 -0.426 50 20 CBGD COC(=O)N1CCC(NCc2ccccc2B(O)O)CC1 863888996 NDDJULAQJKMVKG-UHFFFAOYSA-N 292.144 -0.313 50 20 CBGD C[C@@H](C[C@@H]1CCOC1)NC(=O)c1ccc(B(O)O)cc1 866585047 MYPYKUHWNXFDRK-QWRGUYRKSA-N 277.129 -0.089 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H](C)SC 869910942 PSDVOQOGNNARLI-ZETCQYMHSA-N 250.320 -0.452 50 20 CBGD COC(=O)[C@H]1C[C@H](O)CN(S(=O)(=O)CCCCl)C1 882312707 YJCGMTHTRKBAFA-IUCAKERBSA-N 299.776 -0.199 50 20 CBGD CCCNC(=O)NNS(=O)(=O)C1(COC)CC1 882684479 LUQKMILKVZHJHH-UHFFFAOYSA-N 265.335 -0.291 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N2C[C@H]3C=C[C@H]2C3)N1 883738164 RNIKZKLDGXHLGU-CIUDSAMLSA-N 264.285 -0.734 50 20 CBGD O=C(NNC(=O)C12CCN(CC1)C2)c1ccccn1 899908078 SAMGAJBKRBNRHP-UHFFFAOYSA-N 260.297 -0.062 50 20 CBGD C=CCNC(=S)NNC(=O)c1ccnn1CCN(C)C 899939132 HPCRHAQYJQBUEV-UHFFFAOYSA-N 296.400 -0.260 50 20 CBGD O=C(O)C1=CC[C@@H](NCc2cccc(B(O)O)c2)C1 901734123 WJHKPUUVYKZJNE-GFCCVEGCSA-N 261.086 -0.371 50 20 CBGD Cc1ncc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1C 911505867 XLXRPCZUXKYMAT-VXNVDRBHSA-N 266.301 -0.085 50 20 CBGD O=C(Cc1cccs1)NNC(=O)[C@H]1CCC(=O)N1 917357667 AVOYAFJJUGGDDQ-MRVPVSSYSA-N 267.310 -0.283 50 20 CBGD C[C@@H](NNC(=O)C1(S(N)(=O)=O)CC1)C(F)(F)F 1118883031 XTPFCLQYVCWXPR-SCSAIBSYSA-N 275.252 -0.621 50 20 CBGD CC(C)C(=O)NNC(=O)[C@@H](C)CS(C)(=O)=O 1252446715 ACTXATNWDVWEOR-ZETCQYMHSA-N 250.320 -0.530 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCc2ccn(C)n2)cn1 1254799968 NXUNAALYPMZRSW-UHFFFAOYSA-N 291.315 -0.660 50 20 CBGD Cn1cncc1[C@@H]1C[C@H]1C(=O)NNC(=O)Cc1cc[nH]n1 1293203774 PVGZMVODRXYMOK-NXEZZACHSA-N 288.311 -0.363 50 20 CBGD O=C(NNS(=O)(=O)C[C@H]1CCCO1)c1cnccn1 1318359624 OHXXYRWVSWVHAX-MRVPVSSYSA-N 286.313 -0.780 50 20 CBGD Cc1ccn(CC(=O)NNc2nnc(C)c(O)n2)c(=O)c1 1320876752 QZWHWAMKNRUYNO-UHFFFAOYSA-N 290.283 -0.501 50 20 CBGD CC(C)C(=O)NNC(=O)C(=O)Nc1cccc(F)n1 1321920458 IOTLFXAUQGNODN-UHFFFAOYSA-N 268.248 -0.037 50 20 CBGD CC(C)NC(=O)C(=O)NN=Cc1cnc2ncccn12 1324432837 GRAPWRKNYHYAEG-UHFFFAOYSA-N 274.284 -0.296 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@@]1(C(N)=O)CCOC1 1326821339 GAIILYCVTDAWFC-JYKYSHPRSA-N 253.258 -0.809 50 20 CBGD C[C@H](NC(=S)NNC(=O)c1nnc(O)nc1O)C1CC1 1328431590 ZJUNUTXLZLBMQD-BYPYZUCNSA-N 298.328 -0.810 50 20 CBGD Cc1ncncc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1329539020 MBZDZYXRUQVTPI-RKDXNWHRSA-N 264.285 -0.029 50 20 CBGD CCn1cc(C(=O)NNC(=O)CS(C)(=O)=O)c(C)n1 1330169147 UYRBKAVHGYKNHG-UHFFFAOYSA-N 288.329 -0.983 50 20 CBGD CCc1cc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)n[nH]1 1331058385 PYIUMAPJRUYYGC-SECBINFHSA-N 294.315 -0.919 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCn2ccnc2C1 1332175288 MRSYWVYWPLMIOW-ZJUUUORDSA-N 252.318 -0.211 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 1342638364 POVXNMAAKOXKNQ-RKDXNWHRSA-N 285.300 -0.553 50 20 CBGD C[C@H](C(=O)O)C(=O)NNC(=O)c1cccc(F)n1 1573590377 DGTJKPXXPHMFFI-YFKPBYRVSA-N 255.205 -0.298 50 20 CBGD O=C(CCC12CC(CN1)C2)NNC(=O)c1ccnnc1 1580524951 YJBLCUVFBRDILJ-UHFFFAOYSA-N 275.312 -0.230 50 20 CBGD C[C@H](CN(C)C(=O)c1ccc(B(O)O)cc1)C(=O)O 1589028512 HKZOMBROGQBXII-MRVPVSSYSA-N 265.074 -0.841 50 20 CBGD CC[C@@H](CNCc1ccc(B(O)O)cc1)C(=O)O 1603574002 WWEZXNSKDVGXNH-JTQLQIEISA-N 251.091 -0.433 50 20 CBGD Cn1c(NNC(=O)CC(=O)O)nc2ccccc2c1=O 1608091315 GQSJYQKIFCFUGS-UHFFFAOYSA-N 276.252 -0.149 50 20 CBGD C[C@H](NC(=O)c1ccoc1)C(=O)NNC(=O)C1CC1 48185173 LRSPEIHFENZHAK-ZETCQYMHSA-N 265.269 -0.045 50 20 CBGD C=CCNC(=S)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 138957879 ZYOVUVOKIMIAHA-SSDOTTSWSA-N 292.386 -0.962 50 20 CBGD O=C(CO)NNC(=O)c1ccc(N2CCCC2)nc1 182757680 GKXHXANGCVAACB-UHFFFAOYSA-N 264.285 -0.565 50 20 CBGD CSC[C@@H](C)NC(=O)NNC(=O)C(=O)NC1CC1 265563307 MLTCXQIQGRVTLP-ZCFIWIBFSA-N 274.346 -0.653 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccc(OCC(N)=O)cc1 271255454 GRGIHBIQJXDLEY-UHFFFAOYSA-N 294.311 -0.143 50 20 CBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CC#N 274773891 MPKBCMGASJHLRQ-ZETCQYMHSA-N 270.289 -0.039 50 20 CBGD CS(=O)(=O)CCNC(=O)NNc1cccc(F)n1 288101178 LANVXYTWGNOPJR-UHFFFAOYSA-N 276.293 -0.109 50 20 CBGD O=C(NNc1ncncc1F)N[C@@H]1CCCCNC1=O 291961908 RRBUJXVKKVENHO-MRVPVSSYSA-N 282.279 -0.090 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(C(N)=O)cn2)O1 293822785 FNMQQZIJJFOYMV-XVKPBYJWSA-N 292.295 -0.491 50 20 CBGD CC1=C(C(=O)NNc2ccncn2)Cn2nnnc2N1C 296397644 WKCAHIKIKIDOSG-UHFFFAOYSA-N 287.287 -0.670 50 20 CBGD COC(=O)NNC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 298316265 VNIVVDWIHRZWLO-YIKMNZTOSA-N 293.279 -0.819 50 20 CBGD C[C@H](CNS(=O)(=O)CBr)C(=O)O 379311638 OWXOYTGBENTXJW-SCSAIBSYSA-N 260.109 -0.021 50 20 CBGD CC(C)(CCO)CNC(=O)c1ccc(B(O)O)c(F)c1 584961106 YOTJGVPWZWGCIC-UHFFFAOYSA-N 283.108 -0.356 50 20 CBGD CN1CC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2C1 584971868 GQYMGSQLNYSCGO-FZMZJTMJSA-N 288.156 -0.467 50 20 CBGD C[C@@H](NC(=O)c1ccc(B(O)O)cc1)[C@H]1CCCOC1 584972223 QHQQSYILSAZCGU-PWSUYJOCSA-N 277.129 -0.089 50 20 CBGD CC(C)c1n[nH]c(CNC(=O)c2ccc(B(O)O)cc2)n1 584995313 LYAQWMOJDGESFV-UHFFFAOYSA-N 288.116 -0.462 50 20 CBGD CC[C@H](C)[C@H](O)CNCc1cccc(B(O)O)c1 585023041 BOTUEJRLKLLXLO-GXFFZTMASA-N 251.135 -0.137 50 20 CBGD CC[C@](C)(CNCc1ccc(B(O)O)o1)[C@@H](C)O 585031219 ATQQGBHXLGXJBX-BXKDBHETSA-N 255.123 -0.154 50 20 CBGD CCNC(=O)[C@@H](NCc1ccc(B(O)O)o1)C(C)C 585042330 AOMRKHXVQANZPG-NSHDSACASA-N 268.122 -0.790 50 20 CBGD COc1nc(C)cc(CNCc2ccc(B(O)O)cc2)n1 585049204 LLGSFXMYNITZFK-UHFFFAOYSA-N 287.128 -0.237 50 20 CBGD OB(O)c1cccc(-c2noc([C@@H]3COCCO3)n2)c1 585051393 FAOSSAAGSAMLIS-JTQLQIEISA-N 276.057 -0.496 50 20 CBGD CC[C@@H](OC)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 728160866 AOMDZKBRZMDODG-NXEZZACHSA-N 278.374 -0.096 50 20 CBGD O=C(NCCC(=O)N1CCOCC1)NNC(=O)C1CCC1 732240146 NOZQTZZGCYMUNF-UHFFFAOYSA-N 298.343 -0.634 50 20 CBGD CCn1cc(C=NNC(=O)C(=O)N2CCCC2)cn1 732528538 OCEUVQMRFJMRRX-UHFFFAOYSA-N 263.301 -0.025 50 20 CBGD COC(=O)C[C@H]1CCCCN1CC(=O)NNC(=O)C1CC1 733194228 CBBLDSRBSQBOTC-LLVKDONJSA-N 297.355 -0.039 50 20 CBGD CSCCCNC(=O)NNC(=O)C(=O)NC1CC1 737055445 CPNIZMUZMPZZGN-UHFFFAOYSA-N 274.346 -0.652 50 20 CBGD COc1cc(C)nc(NNC(=O)C2=NNC(=O)C2)n1 746693868 LCOITTJMJSEMFQ-UHFFFAOYSA-N 264.245 -0.887 50 20 CBGD COC(=O)c1ccc(C=NNC(=O)C(=O)NC2CC2)[nH]1 747630272 SBXFUFRUVZAORF-UHFFFAOYSA-N 278.268 -0.470 50 20 CBGD C#CCOCCNC(=O)NNC(=O)Cn1nc(C)cc1C 753380553 IDVRUOQSUWXACO-UHFFFAOYSA-N 293.327 -0.520 50 20 CBGD O=C(CO)NNC(=O)c1cc2c(s1)CCOC2 753444923 CNTVELDOTAZKNG-UHFFFAOYSA-N 256.283 -0.426 50 20 CBGD Cc1nc[nH]c1C=NNC(=O)CNC(=O)c1cccnc1 755772401 COAZFBDMDIWYKV-UHFFFAOYSA-N 286.295 -0.007 50 20 CBGD CC[C@@H](SC)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758030310 PQLBMLMQJFTSHJ-NKWVEPMBSA-N 297.402 -0.787 50 20 CBGD CC[C@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)N(C)C 770973010 XPCGHTILRKYRCU-MRVPVSSYSA-N 293.331 -0.148 50 20 CBGD CCC[C@](C)(O)C(=O)NNC(=O)C(=O)Nc1ccccn1 771559958 OLJPPZBBXZLAGJ-ZDUSSCGKSA-N 294.311 -0.281 50 20 CBGD CCOc1cnc(C(=O)NNC(=O)c2cnn(C)c2)cn1 777673352 SDYMGWHEFJXABE-UHFFFAOYSA-N 290.283 -0.316 50 20 CBGD C[C@@H]1C(=O)N(C)CCN1CC(=O)NNC(=O)C(C)(C)C 778259133 BDYCPJUCJSCDSV-SECBINFHSA-N 284.360 -0.658 50 20 CBGD CN1CCC[C@@H]1C(=O)NNC(=O)NCC(F)(F)F 798315828 BUNJUIDEDKTOGH-ZCFIWIBFSA-N 268.239 -0.027 50 20 CBGD C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)N1CCOCC1 800329053 ZMPSIEFBDYCCHS-IVZWLZJFSA-N 271.317 -0.127 50 20 CBGD Cc1c(C(F)(F)F)nn(C)c1NC(=O)NNC(=O)CO 806423941 LQERDWKMJOTXNX-UHFFFAOYSA-N 295.221 -0.108 50 20 CBGD C[C@H](C(=O)NNC(=O)CO)N(C)CC(F)(F)F 807198757 ODELUUBLCWAVBM-RXMQYKEDSA-N 257.212 -0.991 50 20 CBGD COCCC(COC)=NNC(=O)[C@H]1CCS(=O)(=O)C1 812224111 AVGOQRWRJHUUDX-VIFPVBQESA-N 292.357 -0.424 50 20 CBGD CN1CCN(C(=O)NN=C2COCCOC2)CC1 814913614 RFQBVIIJZKVNQA-UHFFFAOYSA-N 256.306 -0.654 50 20 CBGD N=C1NC(=O)[C@H](CC(=O)NNC(=O)CC2CC2)S1 819122665 DGMBFSLPCLYKMX-LURJTMIESA-N 270.314 -0.510 50 20 CBGD C=CCCn1cc(C(=O)NN(CC)CCO)nn1 823893865 ZSQADCOZHZGHIV-UHFFFAOYSA-N 253.306 -0.187 50 20 CBGD CC(C)CS(=O)(=O)CC(=O)NN(C)[C@H](C)CO 823970906 MTFICIGUGZBZFD-SECBINFHSA-N 266.363 -0.599 50 20 CBGD COC(=O)[C@@]1(C)CCCN(CC(=O)NNC(=O)C2CC2)C1 839666786 OBHGLNRSEANEAJ-AWEZNQCLSA-N 297.355 -0.181 50 20 CBGD CCNC(=O)NNC(=O)Cn1nnnc1-c1ccsc1 843775366 WSMPYPMDIDITLL-UHFFFAOYSA-N 295.328 -0.248 50 20 CBGD CCO/C=C(/C#N)C(=O)N1C[C@H](O)C[C@@H](C(=O)OC)C1 844120522 ZIRISTJLIINLJO-LFTXZHPPSA-N 282.296 -0.187 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cc(C)c(C(=O)OC)o1 853024475 KLMABRLVFWBUGP-UHFFFAOYSA-N 291.285 -0.503 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cnc3n2CCC3)CC1 854380953 APLJZCYZAMMISA-UHFFFAOYSA-N 292.343 -0.569 50 20 CBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=S)NCC1CCC1 855089068 ATDJKHLNGDDSGD-XPUUQOCRSA-N 286.357 -0.221 50 20 CBGD O=C(C[C@H]1CCCCO1)NNC(=O)[C@@H]1CCC(=O)N1 862456717 RSGCCURZZDMWEA-BDAKNGLRSA-N 269.301 -0.628 50 20 CBGD CS[C@H](C)CCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862459993 CSIKHEYMGQCKKJ-HTQZYQBOSA-N 273.358 -0.056 50 20 CBGD CC1(C)OCC(NCc2ccc(B(O)O)cc2)CO1 863890615 AOBPMZQPLVNZFM-UHFFFAOYSA-N 265.118 -0.393 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cc(F)ccc1N(C)C 873802852 XCZYSUXYKYDIIU-UHFFFAOYSA-N 282.275 -0.003 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCO[C@@H](C(F)F)C1 879948073 TXHHQFCAUNMQHG-MRVPVSSYSA-N 279.287 -0.244 50 20 CBGD CC1(C)[C@@H](N)C[C@@H]1NCC(=O)NNC(=O)C1CC1 883442928 VZVIKGBBVZQAIH-IUCAKERBSA-N 254.334 -0.741 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CCCn1ccccc1=O 910162226 CXIWHPGHHTUWBG-LLVKDONJSA-N 267.329 -0.028 50 20 CBGD Cn1c(C=NNC(=O)C2CC2)nc2c1c(O)nc(=O)n2C 920359486 AQJSOKKVLVYLNI-UHFFFAOYSA-N 290.283 -0.767 50 20 CBGD CC(C)c1cc(C(=O)NNC(=O)C(=O)NC2CC2)n(C)n1 1116180429 HJDDPBAOHAQBBW-UHFFFAOYSA-N 293.327 -0.417 50 20 CBGD Cc1[nH]ccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1118884785 QEHBKVNRJJQOAV-QMMMGPOBSA-N 250.258 -0.637 50 20 CBGD C[C@H](NC(=O)NNc1ncccn1)[C@@H]1CN(C)CCN1C 1123794874 OGMZBQZAGGTCDJ-QWRGUYRKSA-N 293.375 -0.263 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)Cn3cccn3)nc21 1253272685 ITVBEPGHMPCDQN-UHFFFAOYSA-N 288.271 -0.591 50 20 CBGD COCCCNC(=O)NNC(=O)c1coc(C(N)=O)c1 1254775644 TZYCHQTXCCGFQD-UHFFFAOYSA-N 284.272 -0.641 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCc2c(O)cccc21 1319003784 PTESTAUZTTXIHK-SECBINFHSA-N 293.279 -0.117 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CC[C@@H]2NC(=O)NC2=O)o1 1319065963 DYOBIXRTOJILQK-ZETCQYMHSA-N 294.267 -0.663 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCc2ccncn2)cn1 1320749901 PGCFPAUHFHQASS-UHFFFAOYSA-N 274.284 -0.396 50 20 CBGD NC(=O)NCCCCC(=O)NNc1ncncc1F 1324392807 VYVWFEJZYSWKFA-UHFFFAOYSA-N 270.268 -0.103 50 20 CBGD O=C(NN=C1CCS(=O)(=O)CC1)c1cnccn1 1326233928 IAACOPOBIAQSQE-UHFFFAOYSA-N 268.298 -0.229 50 20 CBGD O=C(NNC(=O)N1CCO[C@@H]2C[C@H]21)c1cn[nH]c1 1329759755 QJKLRQZZTHTMFA-HTQZYQBOSA-N 251.246 -0.763 50 20 CBGD CN(CCNC(=O)NNC(=O)c1cccnn1)C1CC1 1330846153 HCCGDHBHYDBLNZ-UHFFFAOYSA-N 278.316 -0.485 50 20 CBGD CC(C)(C)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1331510987 OERRQJFOYDZUPD-SSDOTTSWSA-N 256.306 -0.359 50 20 CBGD Cc1ccc(C(=O)NCC(=O)N2CC[C@H](B(O)O)C2)s1 1331897633 YDXJXVNQOHLSHS-VIFPVBQESA-N 296.157 -0.138 50 20 CBGD C[C@@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)C(=O)NC1CC1 1332887900 BENQLSCLOWRNDD-IUCAKERBSA-N 298.343 -0.590 50 20 CBGD Cc1cc(COCC(=O)NNC(=O)N(C)C)no1 1335760112 VNXYEMZGHWJYGP-UHFFFAOYSA-N 256.262 -0.198 50 20 CBGD COCCCNC(=O)NNC(=O)c1cn(C)cn1 1341199972 ATERBLRWOWCLKD-UHFFFAOYSA-N 255.278 -0.599 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCc1nc2cccnc2[nH]1 1343820481 ZNEOMERRDDHFKQ-UHFFFAOYSA-N 291.311 -0.191 50 20 CBGD CC(C)n1cc(S(=O)(=O)NNC(=O)c2cc[nH]n2)cn1 1346688118 LGAPNJYXHWHLQQ-UHFFFAOYSA-N 298.328 -0.190 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCn2ccnc2C1 1352231128 SRAINTDMDZMWBO-UWVGGRQHSA-N 252.318 -0.211 50 20 CBGD CN1CCN(S(=O)(=O)N2CC=C(C#N)CC2)CC1 1365383147 OADYKWVROLKRFH-UHFFFAOYSA-N 270.358 -0.366 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNC(=O)COc1ccccc1O 1574105230 NHXPOULZILFYSO-JTQLQIEISA-N 298.251 -0.982 50 20 CBGD Cn1cc(C(=O)NNc2ncccc2C(=O)O)nc1O 1574450368 XQGMCCSBOFXDLN-UHFFFAOYSA-N 277.240 -0.024 50 20 CBGD CC(C)[C@H](N)C(=O)NCCC(=O)NN=c1cc[nH]cc1 1575441571 FQOLLYZNWBHXNG-LBPRGKRZSA-N 279.344 -0.564 50 20 CBGD CCO/C=C(/C#N)C(=O)NNC(=O)C1CCNCC1 1578099667 HRCRIVSCSSTYSG-NTMALXAHSA-N 266.301 -0.423 50 20 CBGD COC(=O)CC[C@@H](N)C(=O)NNC(=O)NC(C)C 1578809656 IDZMGPRFFWTOOG-SSDOTTSWSA-N 260.294 -0.994 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@]1(C)CCCNC1 1579056055 LKKSQFUCBSBGNF-LBPRGKRZSA-N 273.333 -0.814 50 20 CBGD C[C@H](NC(=O)NNC(=O)c1cnn(C)c1)C1CCNCC1 1579484069 DSPPYRQLLXFKGM-VIFPVBQESA-N 294.359 -0.248 50 20 CBGD NCCNC(=O)NNC(=O)c1cccc(F)c1O 1580312619 PDUBLTVVAOHRFT-UHFFFAOYSA-N 256.237 -0.566 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNc1ncncc1Cl 1593911911 UGDBIKZSFGAQFY-YFKPBYRVSA-N 260.637 -0.327 50 20 CBGD Cn1cc(C(=O)NNc2ccc(C(=O)O)cn2)nn1 1600932707 QUYZTIRZXGAWOA-UHFFFAOYSA-N 262.229 -0.335 50 20 CBGD Cn1cc(C(=O)O)c(NC(=O)c2cccc(B(O)O)c2)n1 1600934832 KEOIWFAGLPGTQG-UHFFFAOYSA-N 289.056 -0.950 50 20 CBGD Nc1ncc2c(n1)CCCC2=NNC(=O)NCC(=O)O 1601221572 ICQDHZADKYEMCT-UHFFFAOYSA-N 278.272 -0.517 50 20 CBGD O=C(CN1CCC[C@H](C(=O)O)C1=O)NNc1ncccn1 1601312334 OCDNPRMLSDQCMX-QMMMGPOBSA-N 293.283 -0.757 50 20 CBGD O=C(NNC(=O)c1cc[nH]n1)c1c[nH]c(C(=O)O)c1 1601555753 NJWXOYLYURDTCO-UHFFFAOYSA-N 263.213 -0.489 50 20 CBGD O=C(O)CNC(=O)NNC(=S)NC[C@H]1CCCCO1 1602072079 NOXKCBDRGSKXSM-SSDOTTSWSA-N 290.345 -0.682 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@H]1CC(C(=O)O)=NO1 1605512044 XCMTYEYKCUPYQI-MRVPVSSYSA-N 280.240 -0.984 50 20 CBGD O=C(NC[C@H]1C[C@H]1C(=O)O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 1608461108 RMFQMFXHSSZVOI-GRDBIXFFSA-N 297.311 -0.395 50 20 CBGD O=C(O)CC(=O)NNC(=O)c1n[nH]c2c1CCCC2 1608664184 ICCCSKQBAOQFND-UHFFFAOYSA-N 266.257 -0.476 50 20 CBGD C[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)[C@@H]1CCCO1 42968990 VUGWXRKLUNUGFB-WPRPVWTQSA-N 295.295 -0.276 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(CC(N)=O)CC1 111202271 CRQCCOXNWOJKMB-VIFPVBQESA-N 284.360 -0.480 50 20 CBGD O=C(NNC(=O)[C@@H]1CC[C@H](C(=O)O)O1)c1ccc[nH]1 276238455 ZYYPRBJQGUEVHH-JGVFFNPUSA-N 267.241 -0.592 50 20 CBGD Cc1cc(C(=O)NNC(=O)CC2OCCCO2)[nH]n1 280107193 ANJGOWQPAKNIAQ-UHFFFAOYSA-N 268.273 -0.368 50 20 CBGD CCc1[nH]nc(C(=O)NNC(=O)[C@@H]2CCCO2)c1[N+](=O)[O-] 294715331 RZOROJFZILPQLN-ZETCQYMHSA-N 297.271 -0.180 50 20 CBGD CC(=O)NNC(=O)CN1C(=O)NC2(CCCCC2)C1=O 298199799 RVEAIKATKCEULJ-UHFFFAOYSA-N 282.300 -0.592 50 20 CBGD O=C(O)[C@@]1(NS(=O)(=O)CBr)CCOC1 367250066 DVVPOFGGIUOLAF-ZCFIWIBFSA-N 288.119 -0.498 50 20 CBGD CCOC(=O)N[C@@H](C(=O)NN(C)C(N)=O)C(C)C 494539106 LHLAMDLFGPIBGR-SSDOTTSWSA-N 260.294 -0.201 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1ccnnc1 495773129 CPAHTTJVOSGMAJ-UHFFFAOYSA-N 295.299 -0.238 50 20 CBGD Cc1noc([C@H](C)NC(=O)c2ccc(B(O)O)cc2)n1 584937202 RRPGFQKWIYIZPH-ZETCQYMHSA-N 275.073 -0.451 50 20 CBGD C[C@H]1CCN(C)CCN1C(=O)c1cccc(B(O)O)c1 584944593 CEBNBRHLRMJZCQ-NSHDSACASA-N 276.145 -0.467 50 20 CBGD NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cccc(B(O)O)c1 584960166 IZDVPTCGXUDSKC-VXGBXAGGSA-N 290.128 -0.860 50 20 CBGD CO[C@@H]1CC[C@H](NC(=O)c2cccc(B(O)O)c2)C1 584980223 UCGSWPMKWRPSBR-NWDGAFQWSA-N 263.102 -0.336 50 20 CBGD CC(C)C[C@@H](CO)CNC(=O)c1ccc(B(O)O)cc1 584985678 OIOPWXDARYCOQV-LLVKDONJSA-N 279.145 -0.249 50 20 CBGD OB(O)c1ccc(CNC[C@]23OCCC[C@H]2C3(F)F)o1 585047000 FPFKDDNJDJFSEL-KOLCDFICSA-N 287.071 -0.137 50 20 CBGD CCn1nccc1/C=C/C(=O)N1CC[C@@H](B(O)O)C1 585064368 FMNFGUIWTFFDPQ-HMDXOVGESA-N 263.106 -0.009 50 20 CBGD C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@@H](B(O)O)C1 585077691 TXYQYIPRNGWLTE-AXFHLTTASA-N 271.122 -0.354 50 20 CBGD CC(=O)N1CCC[C@@H](C(=O)NNC(=O)NC(C)C)C1 745146547 ZKJJOWKEIPBRAF-SNVBAGLBSA-N 270.333 -0.016 50 20 CBGD COCCOCCC(=O)NNC(=O)Cc1ccncc1 747323715 KZKNTOSGKOYJGU-UHFFFAOYSA-N 281.312 -0.175 50 20 CBGD CN(CC(=O)NNC(=O)c1cccs1)Cc1nc[nH]n1 751475026 IQTKYZUGPYYQAL-UHFFFAOYSA-N 294.340 -0.241 50 20 CBGD C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)CO 753453005 VWDUBYSRHQVMKG-CPCISQLKSA-N 266.253 -0.645 50 20 CBGD CO[C@H]1C[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1(C)C 753558765 UKRPZULVTGMVRX-BDAKNGLRSA-N 298.343 -0.591 50 20 CBGD CCC1(C(=O)NNC(=O)N2CCOCC2)COC1 755260344 JSHLXTYQXANVQB-UHFFFAOYSA-N 257.290 -0.514 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCC=CO1 755263606 QDNLKMRGWIKXOG-VIFPVBQESA-N 250.258 -0.208 50 20 CBGD COc1ncncc1NC(=O)NNC(=O)c1c[nH]nc1C 757691363 WLWLRAUVFUOUBC-UHFFFAOYSA-N 291.271 -0.017 50 20 CBGD C[C@@H]1CCCN(C(=O)C(=O)NNC(=O)N(C)C)C1 767781274 WJUIRIBQQBITQH-MRVPVSSYSA-N 256.306 -0.453 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CN1CCCCC1=O 771992824 MYISDDVDFDZZQD-VIFPVBQESA-N 299.327 -0.512 50 20 CBGD CCn1c(=O)oc2cc(S(=O)(=O)NNC(C)=O)ccc21 775247865 DQIRFQMVYXWPJY-UHFFFAOYSA-N 299.308 -0.056 50 20 CBGD CCS(=O)(=O)NCC(=O)NNc1ccccn1 777470124 DNNDGKWMXZVFRM-UHFFFAOYSA-N 258.303 -0.536 50 20 CBGD CO[C@H](C(=O)NNC(=O)c1ccncc1)c1cnn(C)c1 798820262 WLRRGSYUGKDCJY-NSHDSACASA-N 289.295 -0.036 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2C)o1 807027672 XRDDTGGDBYSSAQ-MRVPVSSYSA-N 265.269 -0.030 50 20 CBGD CN1CCN(C(=O)NNC(=O)C2(C#N)CCOCC2)CC1 807381755 HMCRLDDOHZVNCB-UHFFFAOYSA-N 295.343 -0.705 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)NCCC(=O)O)cc1 819095666 GEEUDJLTDYGVMA-UHFFFAOYSA-N 276.252 -0.023 50 20 CBGD CC(=O)NNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 822164338 WBMMQCLTIKOGJH-CQSZACIVSA-N 277.324 -0.209 50 20 CBGD CN1C(=O)CS/C1=C/C(=O)NNC(=O)CC1CC1 823203568 VFTYSYGAUMWBNT-VZUCSPMQSA-N 269.326 -0.020 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cn(C)nc1-c1cnn(C)c1 823935551 SVKCUUPSBKKOHO-VIFPVBQESA-N 292.343 -0.222 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC1CCN(C)CC1 825573616 DHYAASOISVUMDJ-GXSJLCMTSA-N 284.360 -0.164 50 20 CBGD CO[C@@H]1COC[C@H]1NC(=O)NNC(=O)CC(F)(F)F 827919732 OKGYPNYKNUBTSY-PHDIDXHHSA-N 285.222 -0.317 50 20 CBGD O=C(NN[C@@H](C(=O)O)c1ccccc1F)[C@@H]1COCCO1 833149548 UBZHNUWUZWQZEI-WDEREUQCSA-N 298.270 -0.012 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1cnn(C)c1 843647231 LQUCUUBIDAXJLM-WPRPVWTQSA-N 266.301 -0.465 50 20 CBGD O=C(NN=C1CCCS(=O)(=O)C1)c1cc[nH]n1 853392217 FZIRWINDIXRBGC-UHFFFAOYSA-N 256.287 -0.296 50 20 CBGD CN(Cc1cccn1C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858697503 UBSLGIKVHWRANB-JTQLQIEISA-N 293.327 -0.524 50 20 CBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cc(C)n(C)n1 863153245 QAOCHEOJBDPNCO-VIFPVBQESA-N 263.301 -0.153 50 20 CBGD CCOC(=O)NNC(=O)c1cnn(CCOC)c1 864430519 ZVPGJYHAXRXCLB-UHFFFAOYSA-N 256.262 -0.080 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCN2C(C)(C)C)CC1 897536065 QOLUDTWCJWNJNX-NSHDSACASA-N 297.403 -0.153 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)C1(O)CCOCC1 899996118 NPQMBPSTYBFOCP-UHFFFAOYSA-N 275.374 -0.178 50 20 CBGD CC1=C(C(=O)NNC(=O)C(=O)NC2CC2)CCN1C(C)C 929448162 HCDLOYHRFQWDNO-UHFFFAOYSA-N 294.355 -0.200 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@@H](C2OCCO2)C1 931999943 MPGKIRJTDYRKSH-SNVBAGLBSA-N 285.344 -0.515 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1cn(C)nc1CC 1116629406 LYRMWLVSXFAMTQ-UHFFFAOYSA-N 283.288 -0.302 50 20 CBGD C[C@@H](CC(=O)NNC(=O)CS(C)(=O)=O)n1cccn1 1118895135 IEEKLUWBEKGBMT-QMMMGPOBSA-N 288.329 -0.974 50 20 CBGD CCN1C[C@H](CNC(=O)NNC(=O)c2ccc[nH]2)CC1=O 1261510730 JJBDPPPUILSXQF-VIFPVBQESA-N 293.327 -0.173 50 20 CBGD COCCC[C@@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1261842273 SISLJZCOVRCSKP-BDAKNGLRSA-N 271.317 -0.525 50 20 CBGD O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H](B(O)O)C1 1261843395 FFJYFEHWPUQEFC-RXMQYKEDSA-N 254.011 -0.993 50 20 CBGD CCOCCC(=O)NNC(=O)C(=O)Nc1ccccn1 1319094939 LQRJIRBJUGRBDL-UHFFFAOYSA-N 280.284 -0.406 50 20 CBGD Cn1cc(NC(=O)C(=O)NNC(=O)c2ccccc2)cn1 1320088083 JNZNKSMKMOZZCD-UHFFFAOYSA-N 287.279 -0.180 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cnn(C(C)C)c1 1320631980 OUCVWWCFJOEBEB-UHFFFAOYSA-N 281.316 -0.250 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@@H]2CCOC2)nn1 1322495237 LAHAIEWHYCKEQK-ZCFIWIBFSA-N 251.246 -0.945 50 20 CBGD NC(=O)Cc1occc1C(=O)NNC(=O)CC1CC1 1324331146 ACRRDWCCPLJZJD-UHFFFAOYSA-N 265.269 -0.132 50 20 CBGD COc1cncc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 1328522209 OGOQBXSBOJQLGB-JTQLQIEISA-N 297.336 -0.025 50 20 CBGD CCOc1cnc(C(=O)NNc2cnnn2C)cn1 1328638192 WECVVGPRLPEMRJ-UHFFFAOYSA-N 263.261 -0.239 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccnc(F)c2F)N1 1333252814 HNNWCJHDHZEQLO-ZCFIWIBFSA-N 284.222 -0.601 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)NC1CCCC1 1337044839 SYEHSNKHBOJZPI-LLVKDONJSA-N 284.360 -0.020 50 20 CBGD Cc1cc(NNC(=O)c2ccc(=O)n(C)n2)nc(C)n1 1339309260 WDWQECIBLYTLFE-UHFFFAOYSA-N 274.284 -0.056 50 20 CBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(Cl)cn1 1343896404 OVOTYDGOFLWMAA-UHFFFAOYSA-N 299.718 -0.618 50 20 CBGD O=C1CCCN1NS(=O)(=O)CBr 1348650992 KWKJQTXLVNRGJP-UHFFFAOYSA-N 257.109 -0.204 50 20 CBGD C=CCNC(=S)NNC(=O)c1cc2n(n1)CCC[C@@H]2N 1574944270 ZBVARLAVUAYONG-QMMMGPOBSA-N 294.384 -0.028 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccnc(N2CCNCC2)c1 1578402924 DXMCRTQHLJSJAP-UHFFFAOYSA-N 292.343 -0.593 50 20 CBGD NCCCCCC(=O)NNC(=O)c1cn(C2CC2)nn1 1580292682 JTBXOQMTFACLQK-UHFFFAOYSA-N 280.332 -0.107 50 20 CBGD N#C/C=C/Cn1cnc2c(cnn2CC(=O)O)c1=O 1601061248 RYHKRUSWKZFWSC-OWOJBTEDSA-N 259.225 -0.243 50 20 CBGD COC(=O)[C@@H]1CC[C@H](C(=O)O)N(S(=O)(=O)CCl)C1 1606396746 QLCBRGYGENTFRQ-RNFRBKRXSA-N 299.732 -0.149 50 20 CBGD OB(O)[C@H]1CCN(c2ncccc2-c2nn[nH]n2)C1 1607091285 FWGJLQVDTZYHTN-ZETCQYMHSA-N 260.066 -0.685 50 20 CBGD O=C(O)Cc1occc1C(=O)NNC(=O)c1cn[nH]c1 1608794404 ZQLPLWMEJJCGGD-UHFFFAOYSA-N 278.224 -0.295 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1cccc(C(=O)O)c1 1610241563 VXONLHBLFBXISW-UHFFFAOYSA-N 295.295 -0.067 50 20 CBGD COc1ccc(CNC(=O)NNC(=O)C(=O)O)c(C)c1 1610334709 HCQJBIPSPXDMCU-UHFFFAOYSA-N 281.268 -0.081 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)/C=C/c1ccco1 8389935 YZLPCSILYRIWSK-AATRIKPKSA-N 265.269 -0.035 50 20 CBGD O=S1(=O)CC[C@@H](NS(=O)(=O)CCCCl)C1 36881470 SPZHDDHHTGRLPR-SSDOTTSWSA-N 275.779 -0.278 50 20 CBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccon2)C[C@H](C)O1 111543993 BIGFYMAHTMYWMI-UWVGGRQHSA-N 296.327 -0.065 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cc(C#N)ccc1C 114673765 SUHQQCYFCFZZRI-UHFFFAOYSA-N 268.298 -0.011 50 20 CBGD COC[C@H](CCO)NS(=O)(=O)CCCCl 228444196 HCAWUQWGRNCOCY-QMMMGPOBSA-N 259.755 -0.068 50 20 CBGD CC[C@H](SC)C(=O)NNC(=O)C(=O)NC1CC1 269480272 LOIGEVSXTNKBBI-ZETCQYMHSA-N 259.331 -0.446 50 20 CBGD CCO[C@H]1C[C@@H]1C(=O)NNC(=O)C(=O)NC(C)C 298668498 SEQAYAKRRVTSAG-YUMQZZPRSA-N 257.290 -0.917 50 20 CBGD CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)CCl)C1 400119212 KNDVTKWIAXUIBO-ZCFIWIBFSA-N 276.767 -0.864 50 20 CBGD CC1(C)[C@@H](O)C[C@H]1NC(=O)c1cccc(B(O)O)c1 584973001 BQFDJUDYYLDORJ-MNOVXSKESA-N 263.102 -0.744 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H](O)C12CCCC2 584992542 MHVMLWAVNXICNH-ZDUSSCGKSA-N 289.140 -0.114 50 20 CBGD CN(C)[C@@H]1CC[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 585010233 KVYRHARHTQAQAY-WDEREUQCSA-N 294.135 -0.282 50 20 CBGD C[C@H]1COCCN1C[C@@H](C)NCc1cccc(B(O)O)c1 585022388 YJKGMHHAMVEJIA-OLZOCXBDSA-N 292.188 -0.435 50 20 CBGD C[C@@H]1C[C@@H](NCc2ccc(B(O)O)o2)c2nccn21 585044465 JLSZLAREQQKQDD-PSASIEDQSA-N 261.090 -0.049 50 20 CBGD O=[N+]([O-])c1ccc(CCS(=O)(=O)NCB(O)O)cc1 585055453 ARLUGMPCXGQWJC-UHFFFAOYSA-N 288.090 -0.931 50 20 CBGD COc1cccc(CCC(=O)NCB(O)O)c1OC 585057778 KDJCWAWSXNNWGQ-UHFFFAOYSA-N 267.090 -0.235 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCC1CC1 733954037 RMUZAZDIJWDNHF-QMMMGPOBSA-N 259.306 -0.222 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@@H]2C[C@@H]2C(=O)O)n1 737383397 DQGQOCVTBIXVOH-RQJHMYQMSA-N 265.273 -0.294 50 20 CBGD Cc1ccnn1-c1ccc(C(=O)NNC(=O)CO)cc1 753444904 CHBBTAPIERYBDS-UHFFFAOYSA-N 274.280 -0.066 50 20 CBGD O=C1C[C@@H](C(=O)NNC(=O)c2ccccc2O)CCN1 754451526 PSYHDNJMRWAZRU-QMMMGPOBSA-N 277.280 -0.321 50 20 CBGD O=C(CO)NNC(=O)Nc1nnc(C(F)F)s1 756220980 ZSBPVEHKAZCRJI-UHFFFAOYSA-N 267.217 -0.379 50 20 CBGD CN(C)C(=O)NNC(=O)CCCNC(=O)c1cccnc1 772225944 LEAOLRUTVOTMCB-UHFFFAOYSA-N 293.327 -0.106 50 20 CBGD CC(=O)NNS(=O)(=O)c1cccc(-c2nnnn2C)c1 775249383 KKBPHXVWRBSRJA-UHFFFAOYSA-N 296.312 -0.794 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1C[C@@H](OCC)[C@H]1OC 776523854 FLNHWVSSSRFOEA-KKZNHRDASA-N 289.332 -0.454 50 20 CBGD CC(C)OCCC(=O)NNC(=O)N1CCN(C)CC1 788165629 DTRKMNNBCZJPGW-UHFFFAOYSA-N 272.349 -0.210 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)c1ccn(C)n1 794561788 OJXUPRIRWRFNEI-UHFFFAOYSA-N 251.290 -0.586 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1[nH]nnc1C 805546219 FPIYULJTRARGTE-ZCFIWIBFSA-N 269.261 -0.784 50 20 CBGD COCCn1ccc(NC(=O)NNC(=O)c2cc[nH]n2)n1 820737804 LZJZYMNLYYDWLA-UHFFFAOYSA-N 293.287 -0.281 50 20 CBGD COC(=O)[C@H]1C[C@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)C1 824166620 LRZMIPYMZMUCJQ-GUBZILKMSA-N 299.327 -0.163 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)NC1CCCC1 824342126 CWOPEJLMOUGHLY-VIFPVBQESA-N 259.306 -0.079 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)COC(F)F 843655601 NKGXUHKZIISZMJ-RITPCOANSA-N 252.217 -0.202 50 20 CBGD COC(=O)[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)C[C@@H]1C 852651819 JNIACUQAWONZKF-GXSJLCMTSA-N 297.355 -0.325 50 20 CBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=S)NCC1CCC1 855089711 CPHPOEDKZLCQKH-RKDXNWHRSA-N 284.385 -0.207 50 20 CBGD COCC[C@@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858171799 VBZQPUHCFSNGCK-HTQZYQBOSA-N 272.305 -0.980 50 20 CBGD COCCn1cc(NC(=O)NNC(=O)c2cn[nH]c2)cn1 860483593 GLFWOZGOXJUBQQ-UHFFFAOYSA-N 293.287 -0.281 50 20 CBGD O=C(NNC(=O)[C@@H]1CCN1C1CCCC1)C(=O)NC1CC1 862468775 OBKGTWPYGRDRAX-NSHDSACASA-N 294.355 -0.571 50 20 CBGD CON(C)C(=O)CCC(C)=NNC(=O)CS(C)(=O)=O 863183877 OUKDEHUDTWOSPW-UHFFFAOYSA-N 293.345 -0.677 50 20 CBGD O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CC[C@@H](B(O)O)C1 864234829 WRCSDXSXHFIMMF-WDEREUQCSA-N 294.160 -0.147 50 20 CBGD CC(C)(CCl)CS(=O)(=O)N[C@@H]1COC[C@H]1O 867359407 UHBSBEGKSHCPQC-HTQZYQBOSA-N 271.766 -0.070 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H]1CCCNC1=O 887150641 RKANPKNGPGXGHV-SECBINFHSA-N 251.286 -0.537 50 20 CBGD Cn1nc2c(c1C(=O)NNC(=O)C(C)(C)O)CCC2 907628162 WARZFSSWFRFFGM-UHFFFAOYSA-N 266.301 -0.559 50 20 CBGD COCCOCC(=O)NNC(=O)CN(C)C1CCC1 913433441 IFMORQCKQVUZEH-UHFFFAOYSA-N 273.333 -0.719 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)C1=COCCC1 913731208 ZGARIQYIWFNJPD-UHFFFAOYSA-N 267.285 -0.550 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@H](CF)C1 916100578 JTWMJAGVKKPDFJ-MRVPVSSYSA-N 269.056 -0.063 50 20 CBGD CS(=O)(=O)CCNC(=S)NNC(=O)c1ccc[nH]1 1115991756 FYKXKZJKVSJJSN-UHFFFAOYSA-N 290.370 -0.832 50 20 CBGD COCC(=NNC(=O)C(=O)OC)C1CCOCC1 1116684248 MQJVHFGERILUJV-UHFFFAOYSA-N 258.274 -0.295 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C[C@H]1CCOC1 1116776911 VSQTXCHSFAEIII-SECBINFHSA-N 285.344 -0.135 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1c(C2CC2)cnn1C 1118554953 RQXNJLRAYNCQGI-UHFFFAOYSA-N 295.299 -0.699 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cnc(NC(C)=O)s1 1261130957 WUQZFBUVDJBXDM-UHFFFAOYSA-N 293.330 -0.776 50 20 CBGD NC(=O)C(=O)NN=Cc1ccccc1N1CCOCC1 1317773055 PTYKQXSIDGHACZ-UHFFFAOYSA-N 276.296 -0.541 50 20 CBGD Cc1ocnc1C(=O)NNC(=O)C(=O)N1CCCC1 1318286392 YYOMZMFPIOKOOM-UHFFFAOYSA-N 266.257 -0.634 50 20 CBGD O=C(CN1CCC(=O)NC1=O)NNc1ncncc1Cl 1321580775 OWFHIYWEQHRUMK-UHFFFAOYSA-N 298.690 -0.485 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)CCc2nc[nH]n2)n1 1325036519 FUWOYTPJSNDYGX-UHFFFAOYSA-N 282.695 -0.094 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCCCNC(N)=O 1326381268 KOPICIBQGTYWDU-BDAKNGLRSA-N 286.332 -0.603 50 20 CBGD N#CC1(C(=O)NNC(=O)c2cc[nH]n2)CCOCC1 1329371462 UAMDOCGNXYKUEK-UHFFFAOYSA-N 263.257 -0.509 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C[C@H]1CCC(=O)N1 1330836780 LEDIAJBAEAQHBS-SSDOTTSWSA-N 265.273 -0.852 50 20 CBGD Cc1nnsc1C(=O)NNC(=O)CN1CCCC1=O 1332672449 WVLUYIFWBROGFP-UHFFFAOYSA-N 283.313 -0.770 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1CCN(C2CC2)C1 1345722966 OGOUSVKXCLXTFS-NHCYSSNCSA-N 296.371 -0.022 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1C[C@H]1F 1521074414 URIAJUUOODYGCZ-HTQZYQBOSA-N 259.281 -0.203 50 20 CBGD Cc1csc(C(=O)NNC(=O)CN2C(=O)CCC2=O)c1 1528549757 KZBZMMJWFXMIPE-UHFFFAOYSA-N 295.320 -0.033 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@H](N)C(C)C)n[nH]1 1574134973 OIXZEWSXZMTERP-JTQLQIEISA-N 253.306 -0.609 50 20 CBGD CCN1CC[C@H]1C(=O)NNC(=O)[C@H]1CCCNC1 1577768277 XBPWHNWRIYBTSB-UWVGGRQHSA-N 254.334 -0.772 50 20 CBGD N#C[C@]1(C(=O)NNC(=O)NC2CCNCC2)CCCOC1 1580035823 HGCTWLUYBHCOGF-CYBMUJFWSA-N 295.343 -0.611 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1csc(-c2nn[nH]n2)c1 1589882183 KQVWJJQQIRXEHA-ZCFIWIBFSA-N 282.329 -0.114 50 20 CBGD C[C@]1(C(=O)NNC(=O)CCSCC(=O)O)CCCO1 1593756453 RHGSPKPNGVGOMM-LLVKDONJSA-N 290.341 -0.089 50 20 CBGD CO[C@](C)(C(=O)O)C(=O)NNC(=O)Cc1ccsc1 1593927269 VVGLKCJCKZISGQ-NSHDSACASA-N 286.309 -0.072 50 20 CBGD N#CC1=CCN(C(=O)[C@H]2CCCN(CC(=O)O)C2=O)CC1 1594606552 ZYWFCEGXIUTLIP-LLVKDONJSA-N 291.307 -0.008 50 20 CBGD CN1C[C@H](C(=O)NNc2ccc(CC(=O)O)cc2)NC1=O 1598560025 NTTXDDBMBDFVST-SNVBAGLBSA-N 292.295 -0.220 50 20 CBGD C[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@H]1C(=O)O 1599862908 QBGYKVDTPACBAW-GMSGAONNSA-N 295.075 -0.702 50 20 CBGD O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)C(=O)O 1601486659 YEFBIGIDXWKCAU-UHFFFAOYSA-N 298.343 -0.477 50 20 CBGD CS(=O)(=O)SCCNC(=O)[C@@H]1CC(C(=O)O)=NO1 1604932025 MKFOAKBCUVOLIK-LURJTMIESA-N 296.326 -0.975 50 20 CBGD O=C(NNC(=O)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C2)c1ncon1 1605814601 JQPFLAQRGSKGAK-DJOAAKCGSA-N 294.267 -0.278 50 20 CBGD C[C@@H](C(=O)O)C(=O)NNC(=O)CNC(=O)c1cccs1 1609701025 MFJBCMJYHCSULF-ZCFIWIBFSA-N 299.308 -0.654 50 20 CBGD O=C(Cn1ccc([N+](=O)[O-])n1)NNC(=O)NCC1CC1 49166370 DYNRZZKINGJUGO-UHFFFAOYSA-N 282.260 -0.468 50 20 CBGD COCCCNC(=O)NNC(=O)CCn1cccn1 139595176 LDQZTHJCLRAWJE-UHFFFAOYSA-N 269.305 -0.360 50 20 CBGD CN(C)CC(=O)NNC(=O)COc1ccccc1C#N 171350178 UYMDGFVCDYFNAZ-UHFFFAOYSA-N 276.296 -0.354 50 20 CBGD COCC(=O)N[C@H](C(=O)NNc1cnccn1)C(C)C 265952077 JAFUZJYQUNUAPM-NSHDSACASA-N 281.316 -0.293 50 20 CBGD C[C@H](C(=O)NNC(=O)CN(C)C)n1nnnc1C(C)(C)C 273491826 NKIIWJKNIUTTOV-MRVPVSSYSA-N 297.363 -0.759 50 20 CBGD COc1ccccc1SCC(=O)NNC(=O)CO 273492843 MXZMWYFTTMEXED-UHFFFAOYSA-N 270.310 -0.073 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1CC[C@@H]1C(=O)OC 285078843 LVLSOAGIJGFTOL-BDAKNGLRSA-N 287.316 -0.448 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cccnc1F 291447750 GUKZGJIUHBQKES-UHFFFAOYSA-N 268.248 -0.093 50 20 CBGD CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1ccncc1 298799140 JYCYPORYIGNRBK-LLVKDONJSA-N 276.296 -0.147 50 20 CBGD O=C(Cn1cnnn1)NNC(=O)c1ccc(Cl)cc1 301218425 OVHFLIDPTHTFFJ-UHFFFAOYSA-N 280.675 -0.212 50 20 CBGD CC[C@H](C)NC(=O)CCNC(=O)c1cccc(B(O)O)c1 584934835 XVHMVAZNXYTTCU-JTQLQIEISA-N 292.144 -0.599 50 20 CBGD C[C@@H](O)C[C@@H](C)CNC(=O)c1cc(B(O)O)ccc1F 584948157 AEHRBDKDSXUUIH-RKDXNWHRSA-N 283.108 -0.358 50 20 CBGD CCN1CC[C@H](NC(=O)c2cccc(B(O)O)c2)C[C@H]1C 584949196 DTDGXCNLCRWJFW-RISCZKNCSA-N 290.172 -0.031 50 20 CBGD CC(C)[C@@H](O)CCNC(=O)c1ccc(B(O)O)c(F)c1 584949260 DEELEZFAPQQLKI-LBPRGKRZSA-N 283.108 -0.358 50 20 CBGD CC[C@@](C)(O)CNC(=O)c1ccc(B(O)O)c(F)c1 584956081 ZYZBANYACWLGHO-GFCCVEGCSA-N 269.081 -0.604 50 20 CBGD C[C@@H]1CCN(CCNC(=O)c2cc(B(O)O)ccc2F)C1 584956198 YGIUSYPYQIPMHB-SNVBAGLBSA-N 294.135 -0.423 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1F)[C@@H](C)n1cncn1 585020437 XGSCOLYTASKDHQ-VHSXEESVSA-N 292.123 -0.164 50 20 CBGD OB(O)c1cccc(CNC[C@@H](O)C(F)(F)F)c1 585022457 ZOECNDDJONQGPF-SECBINFHSA-N 263.024 -0.621 50 20 CBGD CC1(C)COCCN1CCNCc1cccc(B(O)O)c1 585032929 RLBATHARUFHYCT-UHFFFAOYSA-N 292.188 -0.433 50 20 CBGD O=C(NCB(O)O)c1cc([N+](=O)[O-])ccc1N1CCCC1 585053812 DAKICUCRAIZACA-UHFFFAOYSA-N 293.088 -0.063 50 20 CBGD NC(=O)CNC(=S)NNC(=O)CNc1ccccc1 727069951 PKNLQMMMNOWTJK-UHFFFAOYSA-N 281.341 -0.921 50 20 CBGD CC(C)C(=O)NNC(=O)c1ccc2c(c1)C(=O)NC2=O 729511838 WRVGVOXEVWLGSM-UHFFFAOYSA-N 275.264 -0.013 50 20 CBGD C=CCOCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 729651663 LNHZXIKDDZPSGK-JTQLQIEISA-N 276.358 -0.319 50 20 CBGD CCn1nc(C(=O)NNC(=O)C2CCC2)ccc1=O 732145501 VPMUXCRCPBLNEJ-UHFFFAOYSA-N 264.285 -0.176 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)C2=NNC(=O)C2)cc1 732258000 DGQNTACIECGRQQ-UHFFFAOYSA-N 290.279 -0.603 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](C(=O)O)C1 736848924 YYZYPGWDHQJRDQ-HTQZYQBOSA-N 257.290 -0.661 50 20 CBGD O=C(NNC(=O)c1ccccn1)c1ccc2nnc(O)n2c1 754384425 LBJNCOURCTWSLE-UHFFFAOYSA-N 298.262 -0.095 50 20 CBGD COCC(=O)NNC(=O)Nc1cccc(OCC(N)=O)c1 755794185 HZJHIJBORVEBPF-UHFFFAOYSA-N 296.283 -0.650 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCO[C@H](C)C1 770355407 NFTRPBGMZZDSBX-RKDXNWHRSA-N 259.306 -0.079 50 20 CBGD C[C@H]1CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)CCO1 773209917 VRQTXHHEAXNEAI-YUMQZZPRSA-N 277.346 -0.405 50 20 CBGD COC(=O)Cn1cccc1C=NNC(=O)C(=O)NC(C)C 776185580 MVIKUOJDPLZRFY-UHFFFAOYSA-N 294.311 -0.364 50 20 CBGD CCCCCN(CC(N)=O)CC(=O)NNC(=O)C1CC1 780338272 JUEYDMULWPXLFU-UHFFFAOYSA-N 284.360 -0.479 50 20 CBGD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NN=c1cc[nH]cc1 780761111 JEJRVDLTUIKHNO-UHFFFAOYSA-N 289.251 -0.283 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCC(=O)N1C 786176830 XOGXJPKQMNUNPE-HTQZYQBOSA-N 285.300 -0.904 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)N=c1cc[nH]cc1 802031561 JJKFQMPSRLDXFW-QMMMGPOBSA-N 279.300 -0.429 50 20 CBGD CC(C)C(=O)NN=Cc1c(N(C)C)n(C)c(=O)n(C)c1=O 807954449 RVCJCYBLBNCYRG-UHFFFAOYSA-N 295.343 -0.744 50 20 CBGD Cc1nc(N)sc1C(=O)NN=Cc1cnn(C)n1 814794583 IYQWFTFYJKNKCQ-UHFFFAOYSA-N 265.302 -0.074 50 20 CBGD C[C@@H](CO)N(C)NC(=O)/C=C1/SCC(=O)N1C 823913094 NYEGMVWFPFMNLF-KMFAHORVSA-N 259.331 -0.623 50 20 CBGD CCOC(=O)C1CCN(S(=O)(=O)NNC(=O)O)CC1 829837241 CMOJQVATOCVDTM-UHFFFAOYSA-N 295.317 -0.722 50 20 CBGD CCO[C@@H]1C[C@H]1C(=O)NNC(=O)c1ncccn1 841354316 MOJZHAWCNHVSMH-HTQZYQBOSA-N 250.258 -0.337 50 20 CBGD NNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 843450514 GVJINVCFDTZIJG-LURJTMIESA-N 268.229 -0.218 50 20 CBGD C[C@H](O)c1cn(C2CN(S(=O)(=O)CCl)C2)nn1 849383684 GUAPFBVJQVFZAC-LURJTMIESA-N 280.737 -0.286 50 20 CBGD COc1cc(CCC(=O)NNC(=O)CN(C)C)on1 857105949 VWKQEZVSMIXRRA-UHFFFAOYSA-N 270.289 -0.675 50 20 CBGD COC[C@@H]1CCCN1C(=O)NNC(=O)c1ncccn1 858546046 MVFSXNJEXLNACU-VIFPVBQESA-N 279.300 -0.058 50 20 CBGD CC[C@H](C)CC[C@H](O)CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862460024 YTZURGWMEUVQQB-DCAQKATOSA-N 299.371 -0.010 50 20 CBGD CC#CCCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862460171 DEAAJYIGGOMSKO-SECBINFHSA-N 251.286 -0.394 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NN=c1cc[nH]c(C)c1 862514846 YYROBXYSYIZPHE-QMMMGPOBSA-N 252.274 0.000 50 20 CBGD COC(=O)[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C1CC1 863875130 LZLYMSZPZNZAKL-NSHDSACASA-N 295.075 -0.813 50 20 CBGD CC1=NO[C@H](CNC(=O)c2ccc(B(O)O)cc2)C1 863884035 WOXWVDBIIHLERO-NSHDSACASA-N 262.074 -0.739 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@H](C)N(C)C)n[nH]1 869014419 SJXOPIGQHQGGHP-QMMMGPOBSA-N 253.306 -0.642 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 906570759 IFZJQANIDAZIGS-ZWKOPEQDSA-N 273.292 -0.003 50 20 CBGD CC(C)N1CCN(CCC(=O)NN(C)[C@H](C)CO)CC1 911445219 PQEMMOVNHQXRIX-CYBMUJFWSA-N 286.420 -0.254 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)C1CCSCC1 913730830 KQZIWJZBPGBSOU-UHFFFAOYSA-N 285.369 -0.101 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCC1(N(C)C)CC1 922986700 JQOWQMOWQRKFMC-NXEZZACHSA-N 284.360 -0.164 50 20 CBGD O=C(NN=Cc1ccncc1)[C@H]1CCS(=O)(=O)C1 1115818651 OGFALIQIJZLEID-JTQLQIEISA-N 267.310 -0.034 50 20 CBGD Cn1nccc1S(=O)(=O)NNC(=O)c1ccc[nH]1 1115962512 KBICYWFKVJICAR-UHFFFAOYSA-N 269.286 -0.629 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccn(C(C)C)n1 1116186797 GQFONUDLSDARCA-UHFFFAOYSA-N 283.288 -0.533 50 20 CBGD CC(F)(F)C1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 1118943507 OXWUDSWMLBDRFS-ZCFIWIBFSA-N 275.255 -0.152 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)C[C@@H]1CCOC1 1318648815 MWDWFHWQDABRKL-VIFPVBQESA-N 295.295 -0.417 50 20 CBGD CCc1ncncc1C(=O)NNC(=O)C(=O)N1CCCC1 1318773133 YBJXMSHKYUFBHY-UHFFFAOYSA-N 291.311 -0.578 50 20 CBGD O=C(CC1CC1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1319301100 BWYLQHJYJUWRPZ-QMMMGPOBSA-N 260.315 -0.631 50 20 CBGD CNC(=S)N(C)NC(=O)C1(CO)CCOCC1 1328340042 PWFGCKTWFHMDFS-UHFFFAOYSA-N 261.347 -0.757 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccn(C)n1 1329239014 HGZUVZBBYSFGSX-WCBMZHEXSA-N 281.316 -0.325 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 1331263515 YSYQCGCDXZOFMY-SFYZADRCSA-N 272.374 -0.195 50 20 CBGD O=C(NCCn1cccn1)NNC(=O)C1CCOCC1 1331288164 JYTWESIHJURHLJ-UHFFFAOYSA-N 281.316 -0.360 50 20 CBGD C[C@@]1(C(=O)NCCS(N)(=O)=O)C[C@H]1Br 1337012042 OYZPBLKPOQFPHC-IYSWYEEDSA-N 285.163 -0.435 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H](N)CN(C)Cc1ccccc1 1576272034 JMRAVASTDSQPPT-OCCSQVGLSA-N 294.399 -0.211 50 20 CBGD COc1ccc(C(=O)NNC(=O)CN)c(N)c1F 1579194459 NMAPDISIZRFBIA-UHFFFAOYSA-N 256.237 -0.864 50 20 CBGD N#Cc1csc(C(=O)NNC(=O)[C@@H]2CCN2)c1 1580081783 RKCMQZDMKJSRRX-ZETCQYMHSA-N 250.283 -0.257 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@@H]1COCCO1 1593165096 UGQYLOWTIQVJAH-QMMMGPOBSA-N 291.271 -0.880 50 20 CBGD Cn1cc(C(=O)NN=Cc2cccn2CC(=O)O)nn1 1594530237 GULJTUBWFNAFHC-UHFFFAOYSA-N 276.256 -0.535 50 20 CBGD COCCN(C)NC(=O)Nc1cc(C(=O)O)nn1C 1599231866 GWIRQKZOOJOREK-UHFFFAOYSA-N 271.277 -0.267 50 20 CBGD Cc1nnc(NNC(=O)[C@H](C)CC(=O)O)nc1O 1600798202 BOKFIGOQOUKCPD-SCSAIBSYSA-N 255.234 -0.560 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)[C@@H]1CCCO1 57305392 OHHSHNOSZXAZAN-SFYZADRCSA-N 272.305 -0.850 50 20 CBGD CN1CCN(C)[C@H](CNS(=O)(=O)CCCCl)C1 68809881 YNLBUDGFPNCESL-SNVBAGLBSA-N 283.825 -0.220 50 20 CBGD O=C1CN(S(=O)(=O)CCCCl)CCCN1 83748242 BWORSBQELQDDBP-UHFFFAOYSA-N 254.739 -0.233 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cccnc1O 109860724 QLWNRIFYWKLJFD-UHFFFAOYSA-N 261.241 -0.106 50 20 CBGD CNC(=O)[C@@H](C)NS(=O)(=O)CBr 127384644 XBQSJFFKMCHDPI-SCSAIBSYSA-N 259.125 -0.607 50 20 CBGD NC(=O)COc1ccccc1C(=O)NNC(=O)NC1CC1 143296719 FVFAGQVVKZNHBB-UHFFFAOYSA-N 292.295 -0.343 50 20 CBGD Cc1ccc(NNC(=O)N[C@H](C)C(=O)N(C)C)nn1 171555695 OPNSSYLJRRPTMR-MRVPVSSYSA-N 266.305 -0.112 50 20 CBGD CN(C)Cc1ccc(C(=O)NNC(=O)CO)cc1 182749139 PZAITDGAPGXKQS-UHFFFAOYSA-N 251.286 -0.499 50 20 CBGD CCOC(=O)C(C)(C)C(=O)NNC(=O)NCCCOC 270627122 GPZYQZYUSUKNCY-UHFFFAOYSA-N 289.332 -0.057 50 20 CBGD CN(C[C@@H]1CCCO1)C(=O)c1ccc(B(O)O)c(F)c1 584939116 DLJKDZHCPUSTBO-JTQLQIEISA-N 281.092 -0.244 50 20 CBGD CN1CCC[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 584941078 DDUWLWGMBLFHOT-JTQLQIEISA-N 280.108 -0.671 50 20 CBGD CC(C)C[C@](C)(NC(=O)c1cccc(B(O)O)c1)C(N)=O 584945832 MFRKOPUTAYGYKA-AWEZNQCLSA-N 292.144 -0.614 50 20 CBGD CC[C@@H](O)CCCNC(=O)c1ccc(B(O)O)c(F)c1 584953248 AJYAYASQGPVZJN-SNVBAGLBSA-N 283.108 -0.214 50 20 CBGD COC[C@](C)(C#N)NC(=O)c1ccc(B(O)O)cc1 584962139 IZEQUFNNCQCREG-LBPRGKRZSA-N 262.074 -0.975 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@H](CCO)CC1 584999423 BMULRCAULFDABY-GFCCVEGCSA-N 291.156 -0.009 50 20 CBGD CS(=O)(=O)C1(CNCc2cccc(B(O)O)c2)CC1 585038869 JGRLAHXARHJPDC-UHFFFAOYSA-N 283.158 -0.967 50 20 CBGD COc1cc(S(=O)(=O)NCB(O)O)ccc1F 585059280 HKGUOIHHIPFKCB-UHFFFAOYSA-N 263.055 -0.875 50 20 CBGD CCC[C@@H](C)N1C[C@H](C(=O)NCB(O)O)CC1=O 585061780 GTRYAYYUBQORHX-RKDXNWHRSA-N 256.111 -0.848 50 20 CBGD CN(CCN1CCOCC1)S(=O)(=O)CCl 725350459 AQNMMTJSGQRDFZ-UHFFFAOYSA-N 256.755 -0.224 50 20 CBGD Cc1ncsc1C(=O)NNC(=O)[C@@H]1C[C@H]1C(=O)O 738893102 XUSNYIDMUOAWMS-PHDIDXHHSA-N 269.282 -0.067 50 20 CBGD O=C(CN1CCC2(CC1)C[C@H]2C(=O)O)NNC(=O)C1CC1 739278485 MQCZXHLYIUAWJY-JTQLQIEISA-N 295.339 -0.270 50 20 CBGD COC(=O)c1cc(C=NNC(=O)C(=O)NC2CC2)c[nH]1 753163336 PAGGMDIGBOVKTH-UHFFFAOYSA-N 278.268 -0.470 50 20 CBGD COC(=O)c1ccccc1CCC(=O)NNC(=O)CO 753440328 ZTYFVRKKSPDPBP-UHFFFAOYSA-N 280.280 -0.455 50 20 CBGD O=C(CO)NNC(=O)Cc1ccc2c(c1)CCO2 753451751 INWNOBPUTOKCFV-UHFFFAOYSA-N 250.254 -0.696 50 20 CBGD COCC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C 771894326 YKPXBEIDMXYBNL-MRVPVSSYSA-N 260.290 -0.242 50 20 CBGD CN(C)c1noc(CCC(=O)NNC(=O)NC2CC2)n1 779750038 RADYNLOJWNRGLQ-UHFFFAOYSA-N 282.304 -0.439 50 20 CBGD COC1CCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)CC1 783846558 PXHLZZDIQCBUBG-PEHGTWAWSA-N 291.373 -0.015 50 20 CBGD NC(=O)c1ccccc1C=NNC(=O)C(=O)N1CCCC1 788713049 QQDBEEYJLMJDQA-UHFFFAOYSA-N 288.307 -0.142 50 20 CBGD Cc1cccnc1NNC(=O)NCC(=O)N1CCOCC1 791036098 QASRONWNOAZBEF-UHFFFAOYSA-N 293.327 -0.125 50 20 CBGD COC(=O)c1ccc(NC(=O)NNC(=O)C2CC2)nn1 799232185 AOATZWXXKDIGBL-UHFFFAOYSA-N 279.256 -0.174 50 20 CBGD COc1nccc(NC(=O)NNC(=O)c2cnn(C)c2)n1 801726116 MQAGUVDYWSTKCU-UHFFFAOYSA-N 291.271 -0.315 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cn(C(C)C)nn1 807981303 KUMLJFQXBWEXGR-UHFFFAOYSA-N 268.277 -0.335 50 20 CBGD CC(C[C@@H]1CCC(=O)N1)=NNC(=O)C(=O)N1CCCC1 811639899 JUGXDUCIVXGCTO-JTQLQIEISA-N 280.328 -0.230 50 20 CBGD CO[C@@](C)(C(=O)NNC(=O)C(=O)N1CCCC1)C1CC1 812489713 BAFOHHFSBXGECE-CYBMUJFWSA-N 283.328 -0.429 50 20 CBGD O=C(NNS(=O)(=O)N1CCCC1)[C@@H]1CCCCO1 830033877 HQPBTGWGZMWEAU-VIFPVBQESA-N 277.346 -0.483 50 20 CBGD O=C(NCC1CC2(C1)OCCO2)c1ccc(B(O)O)cc1 832169608 XYNNOFVNVBSMJP-UHFFFAOYSA-N 291.112 -0.751 50 20 CBGD O=C(O)c1ccc(C=NNC(=O)[C@H]2COCCO2)o1 833312584 RIPFGMNONQTNQW-SECBINFHSA-N 268.225 -0.157 50 20 CBGD CCCC[C@@H](CN)NC(=O)NNC(=O)COCC 841959247 OTBRECYGTLHTSN-VIFPVBQESA-N 260.338 -0.129 50 20 CBGD Cc1c[nH]nc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843971470 QPBHSSMHUWCZDU-SFYZADRCSA-N 252.274 -0.096 50 20 CBGD N#Cc1ccc(NNC(=O)[C@H]2CCS(=O)(=O)N2)cc1 845855085 UURCUBKJOZLMKG-SNVBAGLBSA-N 280.309 -0.307 50 20 CBGD CC1=NO[C@H](C(=O)NNC(=O)c2cccn2C)C1 854288204 WWGDHFRKEDRSQH-VIFPVBQESA-N 250.258 -0.049 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 854920916 WDVCUQYIMKVGMK-JGVFFNPUSA-N 272.374 -0.255 50 20 CBGD CNC(=S)N(C)NC(=O)Cc1nnc(NC)s1 854922655 OSRBZPMELNVWBG-UHFFFAOYSA-N 274.375 -0.410 50 20 CBGD COc1nccnc1NNC(=O)Cc1n[nH]c(C)n1 854953379 SYRARHSSOVVAOM-UHFFFAOYSA-N 263.261 -0.402 50 20 CBGD CC(=O)N[C@H](C(=O)NNC(=O)c1cc[nH]n1)C(C)(C)C 855356570 UUOYSSNQEJDDFK-SECBINFHSA-N 281.316 -0.279 50 20 CBGD C#CC(=O)NNC(=O)CCCNC(=O)C(C)(C)C 855829830 SSCSQSPOJDKDGL-UHFFFAOYSA-N 253.302 -0.291 50 20 CBGD C=CC(=O)N(C)CC(=O)NNC(=O)NCc1ccco1 858781247 AAPCXMJHOKTHTM-UHFFFAOYSA-N 280.284 -0.246 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cn3c(n2)CCCC3)N1 862458382 DYNRROAZMPBKAD-MRVPVSSYSA-N 291.311 -0.741 50 20 CBGD Cc1cc(=NNC(=O)[C@H](O)c2cnn(C)c2)cc[nH]1 862514172 SKZUEOZEYDHZFF-LLVKDONJSA-N 261.285 -0.278 50 20 CBGD CNC(=O)c1ccc(C=NNC(=O)CS(C)(=O)=O)cc1 863187639 DBJSIJGEZLBFCV-UHFFFAOYSA-N 297.336 -0.459 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=S)NC(C2CC2)C2CC2)N1 863203123 BATQKBYFZXYXMB-VIFPVBQESA-N 296.396 -0.051 50 20 CBGD Cc1ccc(O)c(C(=O)NNC(=O)CS(C)(=O)=O)c1 863458972 JTZWNVAJYMCYPT-UHFFFAOYSA-N 286.309 -0.494 50 20 CBGD CN(NC(=O)c1cccc(B(O)O)c1)C(=O)OC(C)(C)C 863886304 XCIZVNREKDQIOF-UHFFFAOYSA-N 294.116 -0.122 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCOC(C)(C)C1 872351230 SOUFESXIPKCORQ-QMMMGPOBSA-N 291.373 -0.015 50 20 CBGD CN1C[C@H](C(=O)NNc2ccc(C#N)cn2)CC1=O 899664535 YHNOHPJENAGLCI-SECBINFHSA-N 259.269 -0.125 50 20 CBGD Cn1cc(C(=O)NNC(=O)C(C)(C)C)n(C)c1=O 900221096 JYMHELIUGNRLDA-UHFFFAOYSA-N 254.290 -0.469 50 20 CBGD COc1cccc(C[C@@H](O)C(=O)NN(C)C[C@@H](C)O)c1 910157918 BHSQPVRNQIXIAI-ZWNOBZJWSA-N 282.340 -0.058 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCOC[C@H](C)C1 932364404 UVRBEYUPRNWIJV-SNVBAGLBSA-N 257.334 -0.242 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccnc(OC)n1 935291033 IRNNQAYZVQKCHV-UHFFFAOYSA-N 253.262 -0.209 50 20 CBGD C[S@@](=O)CCN1CCN(C(=O)CCl)CC1 1116434447 WLOIZRFHUUYDDA-OAHLLOKOSA-N 252.767 -0.252 50 20 CBGD COC(=O)N(C)NC(=O)c1cc(S(N)(=O)=O)cn1C 1117184943 PHSJLDHJZCGLDR-UHFFFAOYSA-N 290.301 -0.985 50 20 CBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ncncc1F 1118316726 JARPCXRKFZIYNR-WDSKDSINSA-N 253.237 -0.430 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCC(F)F)N1 1123650132 MOZJNHZHJUQJTE-YFKPBYRVSA-N 264.232 -0.749 50 20 CBGD NC(=O)C(=O)NNC(=O)c1cc(-c2ccccc2)on1 1261893514 SWOWMFOFJBWPFU-UHFFFAOYSA-N 274.236 -0.412 50 20 CBGD CCn1cc(C(=O)NNC(=O)C(=O)N2CCCC2)cn1 1318606924 KHWKMDFUKKSEQL-UHFFFAOYSA-N 279.300 -0.714 50 20 CBGD CCCCNC(=O)NNC(=O)CO[C@H]1CCOC1 1319368475 OHDUUEJPYOFWAZ-VIFPVBQESA-N 259.306 -0.078 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc(O)cc1O 1320808334 OQMWBDWEZUZUSP-UHFFFAOYSA-N 254.242 -0.370 50 20 CBGD C[C@@H](C[S@@](C)=O)NC(=O)NNC(=O)Cc1ccncc1 1320943753 GJPFJRWDVPSTLC-GWNMQOMSSA-N 298.368 -0.279 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC2(CC1)COC(=O)N2 1323731226 VEQPWCOKPOXQBJ-SECBINFHSA-N 298.343 -0.493 50 20 CBGD O=C(CC1CC1)NNC(=O)Cn1cnc([N+](=O)[O-])n1 1324385822 FEJPIIXFOWSOSJ-UHFFFAOYSA-N 268.233 -0.866 50 20 CBGD C=CCNC(=S)NNC(=O)c1ccc(C(N)=O)cn1 1326973302 OVVDSKOLYDENAV-UHFFFAOYSA-N 279.325 -0.525 50 20 CBGD C[C@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)CS(C)(=O)=O 1335365460 AORDTVXDTUVJKU-SFYZADRCSA-N 290.341 -0.816 50 20 CBGD CC(=O)N1CCC[C@H](C(=O)NNc2cnnn2C)C1 1343974905 PVPOXFJCSXGHQJ-VIFPVBQESA-N 266.305 -0.483 50 20 CBGD COc1cccc(NNC(=O)[C@H]2CN3CCN2C[C@@H]3C)n1 1348212358 MCYHHMKHNSRPMN-WDEREUQCSA-N 291.355 -0.078 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1ccc(O)cc1 1348437293 VQTZHROSEVGWIL-UHFFFAOYSA-N 286.309 -0.873 50 20 CBGD Cc1nn(C)c(C)c1OCC(=O)N1CC[C@H](B(O)O)C1 1348490036 KVDDTOWCPXQDRV-JTQLQIEISA-N 281.121 -0.509 50 20 CBGD CC(C)N(C)S(=O)(=O)N1CC[C@@H](B(O)O)C1 1348490440 REQJZIYGJUMCCL-MRVPVSSYSA-N 250.129 -0.880 50 20 CBGD CC(C)C(=O)NNC(=O)c1ccnc(N2CCNCC2)c1 1575398559 OGYLYPAADPQFGN-UHFFFAOYSA-N 291.355 -0.092 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1579424817 RCWAXFSAWLBGCU-UHFFFAOYSA-N 280.317 -0.724 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@]2(C(=O)O)CCCO2)n[nH]1 1594280966 BZLAUCZBXYATMJ-NSHDSACASA-N 282.256 -0.887 50 20 CBGD Cc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)C(=O)O 1600328842 UJBNPKABIIXNSC-UHFFFAOYSA-N 290.235 -0.963 50 20 CBGD CCOC(=O)/C(C#N)=C\N[C@H]1CCS(=O)(=O)C1 27164283 RBBYMGGTGRHNGS-XZLDQRQTSA-N 258.299 -0.266 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 48961991 RRASOTBCRHUCTF-UHFFFAOYSA-N 274.258 -0.283 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C 122922057 KXQNCJBLXAMHIF-MXWKQRLJSA-N 298.387 -0.080 50 20 CBGD CN1C[C@@H](NC(=O)NNc2cccnn2)CC1=O 267674200 PLHPTJPAJGWUPC-ZETCQYMHSA-N 250.262 -0.667 50 20 CBGD CN1C[C@H](C(=O)NNc2nc3ccccn3n2)CC1=O 276693326 GCCBMFVFRYSZPE-MRVPVSSYSA-N 274.284 -0.349 50 20 CBGD CCCNC(=O)NNC(=O)C(C)(C)NC(=O)OC 491198103 OCECFLYONQKKFM-UHFFFAOYSA-N 260.294 -0.139 50 20 CBGD O=C(N[C@H]1CCC[C@H](O)C1)c1ccc(B(O)O)c(F)c1 584929894 FADKOTXGTLEXEZ-UWVGGRQHSA-N 281.092 -0.461 50 20 CBGD C[C@H]1CCN(CCNC(=O)c2ccc(B(O)O)c(F)c2)C1 584955367 QWPOOGHKRVHRFP-JTQLQIEISA-N 294.135 -0.423 50 20 CBGD C[C@@H]1OCCN(C(=O)c2ccc(B(O)O)c(F)c2)[C@H]1C 584962327 CUQPIKWWRKYTRP-IUCAKERBSA-N 281.092 -0.245 50 20 CBGD C[C@@H](O)C[C@@H]1CCCN1C(=O)c1ccc(B(O)O)c(F)c1 584965900 UHNARSQDDICITN-KOLCDFICSA-N 295.119 -0.119 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CCO1 584970082 SDLYUAYXUDRPOM-SKDRFNHKSA-N 263.102 -0.336 50 20 CBGD C[C@H](C[S@@](C)=O)NC(=O)c1ccc(B(O)O)c(F)c1 584973646 OZEHLEIFZFCHOR-QOLSBQFWSA-N 287.121 -0.998 50 20 CBGD C[C@H](O)[C@H]1CCCN1C(=O)c1cccc(B(O)O)c1 585008520 WGBZPYCIGFLGIJ-JOYOIKCWSA-N 263.102 -0.648 50 20 CBGD C[C@@H](Cn1cccn1)NCc1ccccc1B(O)O 585017621 FFXMUHHYRIAILS-NSHDSACASA-N 259.118 -0.259 50 20 CBGD OB(O)c1ccc(CNCc2nnc3n2CCC3)c(F)c1 585017699 IKPXUSBQNFIMRQ-UHFFFAOYSA-N 290.107 -0.667 50 20 CBGD OB(O)c1ccc(CNCCOC[C@H]2CCOC2)o1 585020471 YJFFWJIVAYJFHQ-JTQLQIEISA-N 269.106 -0.898 50 20 CBGD CCn1cc(CNCc2cccc(B(O)O)c2)cn1 585040175 GUFNYFFTNBDGID-UHFFFAOYSA-N 259.118 -0.127 50 20 CBGD CC(C)[C@@H](CO)CNCc1ccc(B(O)O)cc1 585041067 TVFFJMCFWQQNJR-GFCCVEGCSA-N 251.135 -0.280 50 20 CBGD O=C(c1ccccc1-n1ccnn1)N1CC[C@@H](B(O)O)C1 585066210 NFMZZYZBPAVUNN-SNVBAGLBSA-N 286.100 -0.044 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc2nc(O)[nH]c2c1 733360812 UUSHIZIYSYXKRN-UHFFFAOYSA-N 277.284 -0.409 50 20 CBGD COC[C@H](C)CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 737065594 UHARAYSOHQPIQD-KOLCDFICSA-N 293.389 -0.350 50 20 CBGD COCCN1CC[C@H](NC(=O)NNC(=O)c2ccc[nH]2)C1 739035304 MHHZRVYXIPPQIW-JTQLQIEISA-N 295.343 -0.321 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1cnn(C(C)C)c1 741652829 HZESTXLOZWEIPB-UHFFFAOYSA-N 275.334 -0.024 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)Cn2cnc(C#N)n2)c1 741851864 UDJDUYHAJOIFDL-UHFFFAOYSA-N 295.262 -0.517 50 20 CBGD NC(=O)c1c[nH]c(C(=O)NNC(=O)c2ccncc2)c1 749323248 ONBMOKVZYMKJBD-UHFFFAOYSA-N 273.252 -0.417 50 20 CBGD COC[C@H](C)CC(=O)NNC(=O)Cc1cc[nH]n1 755290696 SYNVNNGBKQCHOV-MRVPVSSYSA-N 254.290 -0.228 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cnc3[nH]nnc3c2)cn1 755361718 OCOOJMUKLGYMGJ-UHFFFAOYSA-N 286.255 -0.839 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C1(N(C)C)CCC1 763043131 CTZAQBRDQCQULZ-UHFFFAOYSA-N 265.317 -0.037 50 20 CBGD C[C@@H]1CCCN(C(=O)C(=O)NNC(=O)Cc2cc[nH]n2)C1 767884867 KAXVNELFHQAMOY-SECBINFHSA-N 293.327 -0.642 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)c2ccccc2)C1=O 771846752 PYDCXFOFGWTACZ-SNVBAGLBSA-N 261.281 -0.074 50 20 CBGD COC(=O)Cn1cc(C(C)=NNC(=O)C2CC2)nn1 772831597 XETQMLIWTHHXBG-UHFFFAOYSA-N 265.273 -0.299 50 20 CBGD C=CCNC(=S)NNC(=O)C1(OC)CCOCC1 785684961 SDQNZFXNOBOKJX-UHFFFAOYSA-N 273.358 -0.137 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)CCCC(N)=O)cc1 787270153 FWRHWUNVVQABKL-UHFFFAOYSA-N 274.280 -0.025 50 20 CBGD CNc1nc(C(=O)NNC(=O)N2CCN(C)CC2)cs1 807381922 OVRRPKZWKGCHEZ-UHFFFAOYSA-N 298.372 -0.213 50 20 CBGD O=C(CCCC1CC1)NNC(=O)C(=O)NC1CC1 812453203 IHXYOCVMVAISQZ-UHFFFAOYSA-N 253.302 -0.007 50 20 CBGD Cn1cc(N2CC[C@H](NS(=O)(=O)CCl)C2=O)cn1 820791041 GAFGPWALZCOMDA-QMMMGPOBSA-N 292.748 -0.359 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)O)CC(C)(C)C 822315711 AATPGUXLTLYOKQ-UHFFFAOYSA-N 259.350 -0.117 50 20 CBGD CCOC(=O)[C@H](CC(=O)NN(CC)CCO)C(C)=O 823885005 RTLQXUCCHPBWIB-SNVBAGLBSA-N 274.317 -0.510 50 20 CBGD Cc1nc2ccnn2cc1C(=O)NN(C)[C@@H](C)CO 823917286 GZSBJZHDZDPQJR-QMMMGPOBSA-N 263.301 -0.005 50 20 CBGD CCOC(=O)[C@@H](CC)C(=O)NNC(=O)C(=O)N1CCCC1 839610275 LFRIFXSYJAPGTN-VIFPVBQESA-N 299.327 -0.655 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)N=c1cc[nH]cc1 846094055 NEGXGBNCNZLOOW-UHFFFAOYSA-N 293.327 -0.182 50 20 CBGD CCONC(=O)CNC(=O)NNc1ncccc1F 846724904 OSRHTCDYVYAJHI-UHFFFAOYSA-N 271.252 -0.086 50 20 CBGD Cc1ncc2n1CC[C@@H](C(=O)NNC(=O)c1cc[nH]n1)C2 855356083 LGIOQAUDIBRGDN-SECBINFHSA-N 288.311 -0.062 50 20 CBGD CCN1C[C@H](C(=O)NNC(=O)c2cc[nH]n2)CC1=O 855359482 TYJUDQPLKIEAJF-SSDOTTSWSA-N 265.273 -0.961 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](NC=O)C(C)C 860382632 LLQDFEIZPGDQPC-SCZZXKLOSA-N 287.316 -0.754 50 20 CBGD CON(C)C(=O)[C@H](C)NC(=O)/C(C#N)=C\c1cnn(C)c1 863631296 IOVVNHJBTKJESN-BVBCSLMJSA-N 291.311 -0.148 50 20 CBGD CCOC(=O)N[C@H](C(=O)N1CC[C@@H](B(O)O)C1)C(C)C 864234586 SZNPLYJDAVUTID-ZJUUUORDSA-N 286.137 -0.168 50 20 CBGD CC(C)C(=O)NNC(=O)/C=C1/SCC(=O)N1C 873797332 QFJBXFXPVNPCBX-RUDMXATFSA-N 257.315 -0.164 50 20 CBGD Cc1cc(NC(=O)C(=O)NNC(=O)CN(C)C)cs1 873804985 RWBNAVOCDLEYIW-UHFFFAOYSA-N 284.341 -0.296 50 20 CBGD C#CC(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 891767604 JFONJSJVFVISQB-NXEZZACHSA-N 253.302 -0.734 50 20 CBGD C#CCSCC(=O)NNC(=O)C1CCOCC1 894101751 VQPGCPHKUPGGJE-UHFFFAOYSA-N 256.327 -0.073 50 20 CBGD CCC[C@@H](NCc1ccc(B(O)O)cc1)C(=O)OC 897834457 PNIFQVUPZGGOGS-GFCCVEGCSA-N 265.118 -0.202 50 20 CBGD CC(=O)NNS(=O)(=O)c1c[nH]c2ncccc12 919954267 GXGFHMOQSSDJCE-UHFFFAOYSA-N 254.271 -0.108 50 20 CBGD CC(C)N(C)S(=O)(=O)NNC(=O)c1cnccn1 1116195648 MGNIQLKVJPCBCK-UHFFFAOYSA-N 273.318 -0.704 50 20 CBGD CCCNC(=O)NNS(=O)(=O)c1cn(C)cn1 1251456053 NREHFRWMVRQTNK-UHFFFAOYSA-N 261.307 -0.677 50 20 CBGD COCCC[C@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1261842274 SISLJZCOVRCSKP-DTWKUNHWSA-N 271.317 -0.525 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1C[C@@H](C(=O)OC)C1 1262564661 OVNLDTUZHLCVMN-OCAPTIKFSA-N 271.342 -0.133 50 20 CBGD C[C@H](C(=O)NNC(=O)NC1CCCC1)N1C(=O)CCC1=O 1318213331 AGPZOGGTFMGRDV-MRVPVSSYSA-N 296.327 -0.203 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CCC[C@@H]1OC 1319931123 YVBGUAIDEBYTPD-SFYZADRCSA-N 273.289 -0.695 50 20 CBGD CC(=O)NCCCNC(=O)NNC(=O)c1cccc(C)n1 1321032174 YSBUERZTSGMLCU-UHFFFAOYSA-N 293.327 -0.140 50 20 CBGD C[C@@H]1C[C@H](CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)[C@@H](C)O1 1328798691 HBAFCYFKSVHOQP-KYXWUPHJSA-N 298.343 -0.591 50 20 CBGD O=C(c1ccc(-n2cnnc2)cc1)N1CC[C@H](B(O)O)C1 1329672481 QIEVVGWUTYAEIE-NSHDSACASA-N 286.100 -0.044 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H](C)n1cccc1 1332145604 DSRWZFVDXFCBJJ-SNVBAGLBSA-N 269.301 -0.141 50 20 CBGD C[C@H](CCN(C)C)NC(=O)NNC(=O)c1cccnn1 1333586348 DKKFUBGYRALOCB-SECBINFHSA-N 280.332 -0.239 50 20 CBGD CC(=O)N1CC[C@@H](NC(=O)NNc2ccncn2)C1 1334647403 QROWQZMXVBHTPP-SECBINFHSA-N 264.289 -0.277 50 20 CBGD COC(=O)c1ccc(NC(=O)C(=O)NNC(C)=O)cc1 1337961374 PPYKUUNDQQJMQO-UHFFFAOYSA-N 279.252 -0.421 50 20 CBGD COC(=O)Cc1ccc(NNC(=O)[C@@H]2CCNC2=O)cc1 1347804969 DXXGMOMIAWEKSM-LLVKDONJSA-N 291.307 -0.019 50 20 CBGD CN(C)S(=O)(=O)c1ccc(NC(=O)NN)cc1 1578421289 KPQOKSKTHTYONW-UHFFFAOYSA-N 258.303 -0.068 50 20 CBGD COC(=O)NNC(=O)[C@@H]1CO[C@H](CCC(=O)O)C1 1593858129 GKWXKJGGEDKDEW-NKWVEPMBSA-N 260.246 -0.357 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@H](CC1OCCO1)C(=O)O 1596864495 WJWCXLHIFBNEEY-FCZSHJHJSA-N 284.268 -0.237 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNc2ncccn2)O[C@H]1C(=O)O 1599876222 XBMRFBLHGQMLHX-BWZBUEFSSA-N 266.257 -0.202 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1ccc[n+]([O-])c1 1606857692 FDQJQJRHWPRLKL-UHFFFAOYSA-N 298.266 -0.348 50 20 CBGD Cc1cc(C(=O)NNC(=O)CO)ccc1-n1cncn1 182767966 WVPQHZDJORRLLT-UHFFFAOYSA-N 275.268 -0.671 50 20 CBGD CNS(=O)(=O)CC(=O)NNC(=O)c1ccc(C)s1 267547936 BNYAIGBPXRPVBC-UHFFFAOYSA-N 291.354 -0.633 50 20 CBGD C#CCO[C@@H](C)C(=O)NNC(=O)[C@@H]1CCCCO1 295646795 UMQXXKAGFVRHCF-UWVGGRQHSA-N 254.286 -0.259 50 20 CBGD COc1cncc(C(=O)NNC(=O)[C@@H]2CCCCO2)n1 295682652 YEHHZPHIAYZWLA-VIFPVBQESA-N 280.284 -0.185 50 20 CBGD COC(=O)NNC(=O)c1cncc(N2CCOCC2)c1 495407129 ICUMWPMVADCVSE-UHFFFAOYSA-N 280.284 -0.081 50 20 CBGD CC[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)CCO1 584926935 HVWMTNFSTBMKSX-LBPRGKRZSA-N 263.102 -0.383 50 20 CBGD CN1CCC[C@H](CN(C)C(=O)c2cccc(B(O)O)c2)C1 584947597 VUFKIBSPYFIBLB-LBPRGKRZSA-N 290.172 -0.220 50 20 CBGD CN(C)[C@H]1CCCC[C@H]1NC(=O)c1cccc(B(O)O)c1 585001509 YADAKAXYWPZRMD-KGLIPLIRSA-N 290.172 -0.031 50 20 CBGD C[C@H](CCO)N(C)C(=O)c1ccc(B(O)O)cc1 585004757 MOVGMEKBTDWSCF-SECBINFHSA-N 251.091 -0.791 50 20 CBGD COC1(CNCc2ccccc2B(O)O)CCOCC1 585030492 UHYNWBVDDPAZSA-UHFFFAOYSA-N 279.145 -0.348 50 20 CBGD C[C@@H]1COCCN1CCNCc1cccc(B(O)O)c1 585032198 CUEVTSSTKCUNCB-GFCCVEGCSA-N 278.161 -0.823 50 20 CBGD CS(=O)(=O)CCNC(=O)NNC(=O)C1CCCC1 727942987 QZQARZBXZFXNJM-UHFFFAOYSA-N 277.346 -0.448 50 20 CBGD C[C@H]1CN(Cc2ccccn2)CCC1=NNC(=O)C(N)=O 734362937 VCERPJMXRJNKQO-JTQLQIEISA-N 289.339 -0.119 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1ccc(C(=O)O)cc1 745834130 MKNZDBPHUVKKIB-UHFFFAOYSA-N 287.297 -0.151 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H](C)[C@@H]1CCOC1 745862602 YOPHNUHKRYQBNW-RKDXNWHRSA-N 259.306 -0.222 50 20 CBGD C[C@@H]1OCCC1=NNC(=O)[C@@H](C)NS(C)(=O)=O 747751517 MSAAJEMFKAAARM-RQJHMYQMSA-N 263.319 -0.795 50 20 CBGD CCOCC(=O)NNC(=O)CNC(=O)c1ccco1 751201497 JXCNDQOGXQJXSR-UHFFFAOYSA-N 269.257 -0.807 50 20 CBGD CCNC(=O)NNC(=O)CCOc1cccc(C(N)=O)c1 751364147 UJKCQNFPWRMREO-UHFFFAOYSA-N 294.311 -0.095 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CSCCS1 755286001 YQUVSBSVRICEEA-QMMMGPOBSA-N 286.382 -0.052 50 20 CBGD Cc1ccc(NNC(=O)N[C@@H]2CCCS(=O)(=O)C2)nn1 758657446 KIWZXBZBGUWTQY-SECBINFHSA-N 299.356 -0.012 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc(N(C)C)cc1 763515914 XGPJMXMDWXNJFG-UHFFFAOYSA-N 264.285 -0.142 50 20 CBGD CC(C)C(=O)NNC(=O)c1cnc(N(C)C)cn1 770465497 DCKHUPLGTYDWTQ-UHFFFAOYSA-N 251.290 -0.040 50 20 CBGD C=CCCCCNC(=O)NNC(=O)C(=O)NC1CC1 771378331 YXBWHAVCBGITJL-UHFFFAOYSA-N 268.317 -0.048 50 20 CBGD CN(C)[C@@H](C(=O)NNC(=O)C1CC1)c1cncn1C 798151315 INIWRZGJLFBTGV-SNVBAGLBSA-N 265.317 -0.420 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNc1cc(Cl)nc(N)n1 807207653 BAARLDJDQLDYDO-RXMQYKEDSA-N 284.707 -0.224 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccn(C)n1 807369428 SPEFFFBVZKUZRE-UHFFFAOYSA-N 284.316 -0.030 50 20 CBGD CN(NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C1CC1 819642611 LSZRSLZNTGOKBF-UHFFFAOYSA-N 296.352 -0.391 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cnn(CCN(C)C)c1 823918048 QUWBLNQKUVNABM-JTQLQIEISA-N 269.349 -0.598 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](CNC)C1 843346803 QQOCTFNHBPQSCL-MNOVXSKESA-N 270.377 -0.136 50 20 CBGD O=C(CC1CCCC1)NNC(=O)[C@@H]1CCS(=O)(=O)N1 846632865 FJNPXZNLJZPZKN-VIFPVBQESA-N 289.357 -0.594 50 20 CBGD COC1(CCNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCC1 858489590 HNNPORZPYKUTKN-VIFPVBQESA-N 298.343 -0.445 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@@H](NC=O)C(C)C)n1 861462248 YTPRQBOSNHVBIM-NSHDSACASA-N 278.312 -0.078 50 20 CBGD CCc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(O)c1 862458280 BSQATGLTEROGAC-JTQLQIEISA-N 291.307 -0.006 50 20 CBGD CCNc1nc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cs1 862458701 DGIDIWSWERTOIM-ZCFIWIBFSA-N 297.340 -0.386 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2nc(Cl)cs2)N1 862459082 MCFYEZMAYGEKLG-BYPYZUCNSA-N 288.716 -0.164 50 20 CBGD CC(C)[C@H](C(=O)NNC(=O)c1cn[nH]c1)N1CCCC1=O 862473924 CQQURKUCMPCVNB-LLVKDONJSA-N 293.327 -0.182 50 20 CBGD CC[C@@H](C)[C@@H](C)C(=O)NNC(=O)CS(C)(=O)=O 863464846 VEJLVYXIXSPKIV-HTQZYQBOSA-N 264.347 -0.139 50 20 CBGD COC(=O)c1cnn(CC(=O)NNc2cc(C)ncn2)c1 863875226 PCEHIBFFERCSHA-UHFFFAOYSA-N 290.283 -0.089 50 20 CBGD COC(=O)C1(CNC(=O)c2cc(B(O)O)ccc2F)CC1 863878997 LZJJOVZBVSVVHB-UHFFFAOYSA-N 295.075 -0.812 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cnc(Cl)cn2)N1 863934657 GGNCDELUGYRDMQ-RXMQYKEDSA-N 283.675 -0.830 50 20 CBGD COCCOCC(=O)NNC(=O)/C=C\c1ccc[nH]1 869908057 VOSDSYYWOJJQPN-PLNGDYQASA-N 267.285 -0.162 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCN1C1CC1)c1cccnn1 882057822 AOVFMSLYQNBBDT-NSHDSACASA-N 275.312 -0.136 50 20 CBGD C[C@H]1C[C@H](NC(=O)NNC(=O)CC(F)(F)F)C(=O)O1 896335473 VRFDBNOVFIVMHX-WHFBIAKZSA-N 283.206 -0.027 50 20 CBGD CC[C@H]1C[C@@H](C(=O)NNC(=O)CN2CCCC2=O)CCO1 913731988 DAFBKFDIHVWOEC-QWRGUYRKSA-N 297.355 -0.039 50 20 CBGD CC(C)(C)[C@@H](O)C(=O)NNC(=O)CN1CCCC1=O 913732423 WJIXYECPVXJPJS-JTQLQIEISA-N 271.317 -0.837 50 20 CBGD CC(C)C(=O)NNC(=O)CN(C)C(=O)[C@H](C)n1cccn1 918690245 SNZFNSVMQHJIGO-JTQLQIEISA-N 295.343 -0.294 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1CCCS1(=O)=O 1119912032 VIUJWSTYCHGGFE-SECBINFHSA-N 272.326 -0.486 50 20 CBGD CC(=O)NNS(=O)(=O)c1cnc2n1CCCC2 1120251654 MHBJQFQLAFSGFC-UHFFFAOYSA-N 258.303 -0.451 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]1C1CC1)[C@@H]1CCS(=O)(=O)C1 1318969912 WDQTUQDMLRTGRW-KXUCPTDWSA-N 286.353 -0.385 50 20 CBGD CC[C@H](OC)C(=O)NNC(=O)C(=O)Nc1ccccn1 1319609894 MMUGWHZLYPONMB-QMMMGPOBSA-N 280.284 -0.408 50 20 CBGD CC1(Cn2cc(C(=O)NN=c3cc[nH]cc3)nn2)COC1 1320166324 RNQUUTNVADUMGJ-UHFFFAOYSA-N 288.311 -0.112 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)NCCn2cncn2)c1 1322525686 WVVUBLDSTWXRLE-UHFFFAOYSA-N 299.294 -0.206 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)Cc1ccncc1 1323553626 YMMRVFUFXNUWGU-QMMMGPOBSA-N 280.284 -0.484 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2nnnn2CC1)C1CC1 1326739088 INWXSJXDCHUVTR-MRVPVSSYSA-N 264.289 -0.817 50 20 CBGD CC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)o1 1330109885 XLBHHTWHFKLMSW-SSDOTTSWSA-N 279.252 -0.478 50 20 CBGD CCN(CCC#N)S(=O)(=O)N1CC[C@@H](B(O)O)C1 1330260879 CXONLVZXZXZTDE-SECBINFHSA-N 275.139 -0.985 50 20 CBGD C[C@H](O)c1cn(CC(=O)NNC(=O)CC2CC2)nn1 1330483936 NHTMEMSCDCRCKN-ZETCQYMHSA-N 267.289 -0.721 50 20 CBGD Cn1ccnc(NNC(=O)C[C@@H]2CCOC2)c1=O 1339894412 XWNJMQHKNQZXMF-QMMMGPOBSA-N 252.274 -0.350 50 20 CBGD CC(C)C(=O)NNC(=O)[C@H]1CN2CCN1C[C@@H]2C 1346086566 MSSBUFLDQYNABK-VHSXEESVSA-N 254.334 -0.822 50 20 CBGD CSCCNC(=S)NNC(=O)c1[nH]c(O)nc1C 1349799771 MFLZAKPORXEOTA-UHFFFAOYSA-N 289.386 -0.104 50 20 CBGD C=C(CN(C)C)C(=O)NNC(=O)C1CCOCC1 1354183658 ZQKPTZJZCVDUAO-UHFFFAOYSA-N 255.318 -0.322 50 20 CBGD COC(=O)N(C)NC(=O)[C@H]1CC(c2cnn(C)c2)=NO1 1358228769 VASLGYVSAGOZLS-SECBINFHSA-N 281.272 -0.358 50 20 CBGD C[C@H](CC=NNC(=O)CN1CCCC1=O)C(=O)O 1592464587 VENMZVOGRWIUKE-MRVPVSSYSA-N 255.274 -0.178 50 20 CBGD CN1CCO[C@@H](C(=O)NNc2ccccc2C(=O)O)C1=O 1598623552 JPCCXHXPYFXPKG-JTQLQIEISA-N 293.279 -0.315 50 20 CBGD CC(C)(CS(=O)(=O)NNC(=O)c1cn[nH]c1)C(=O)O 1603660550 WBCGDPHQDLYGED-UHFFFAOYSA-N 290.301 -0.915 50 20 CBGD Cc1nnc(NNC(=O)NCCCC(=O)O)n1C 1605444819 WVEHSBCAFZRUQA-UHFFFAOYSA-N 256.266 -0.386 50 20 CBGD O=C(O)C1=NO[C@H](C(=O)NNC(=O)C2CCCC2)C1 1605971213 VZUXSESNOKXRMA-QMMMGPOBSA-N 269.257 -0.447 50 20 CBGD CC(=NNC(=O)NCC(=O)O)c1ccc(N)nc1 1609553120 GSKKLJITSCDHKP-UHFFFAOYSA-N 251.246 -0.228 50 20 CBGD COC(=O)c1cc(C=NNC(=O)C(=O)O)n(C)c1C 1610195920 AEUOXZKEMRQCIQ-UHFFFAOYSA-N 267.241 -0.345 50 20 CBGD CNC(=O)NNC(=O)CN1C(=O)c2ccccc2C1=O 56370463 RLMMHKGXWCOVOX-UHFFFAOYSA-N 276.252 -0.757 50 20 CBGD Cc1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)[nH]n1 101526678 UMKIMBSVMBMBTH-UHFFFAOYSA-N 291.267 -0.498 50 20 CBGD O=C(Cn1cnnn1)NNC(=O)c1c[nH]c2ccccc12 101691772 HUTPDYFCJYMAGV-UHFFFAOYSA-N 285.267 -0.384 50 20 CBGD O=C(NNc1ccc(Cl)nn1)[C@H]1COCCO1 172439853 MUAXTIOAMPXJIE-ZCFIWIBFSA-N 258.665 -0.012 50 20 CBGD CN(C)C(=O)CCNC(=O)NNC(=O)C(C)(C)C 194319588 BXSZPNMNEWXYME-UHFFFAOYSA-N 258.322 -0.159 50 20 CBGD O=C(CNCC(F)(F)F)NNC(=O)c1ccc[nH]1 264823783 DPAJZBQNYQXVKL-UHFFFAOYSA-N 264.207 -0.072 50 20 CBGD O=C(CC1CC1)NNC(=O)CN1CCCCC1=O 294276060 VHISQPQTERTCBB-UHFFFAOYSA-N 253.302 -0.054 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CN(CC)CCO1 374013185 XQHLLNQUWUUNGS-SECBINFHSA-N 272.374 -0.612 50 20 CBGD COC(=O)N(C)NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 495825509 QRDPBZMCLJUETH-ZETCQYMHSA-N 295.361 -0.320 50 20 CBGD CCN(CC)CCCNC(=O)c1cc(B(O)O)ccc1F 584925182 QZZMXUNRMRXQCC-UHFFFAOYSA-N 296.151 -0.033 50 20 CBGD NC(=O)C[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584954481 JHQZRJONFHVEEX-JTQLQIEISA-N 290.128 -0.906 50 20 CBGD CC(C)OCC[C@@H](C#N)NC(=O)c1cccc(B(O)O)c1 584974401 OHCVOONDUDKDCB-ZDUSSCGKSA-N 290.128 -0.197 50 20 CBGD O=C(N[C@@H]1C[C@@H]1C(F)F)c1cccc(B(O)O)c1 585002801 FUTCEGTXOQRNPA-DTWKUNHWSA-N 255.029 -0.250 50 20 CBGD COC[C@@](C)(O)CCNCc1ccc(B(O)O)cc1F 585043213 JCOHNEBVDMDAKE-ZDUSSCGKSA-N 285.124 -0.617 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc(F)cc1Cl 585054923 UJTNXQUUVKXJKO-UHFFFAOYSA-N 267.474 -0.231 50 20 CBGD COC(=O)NNC(=O)Nc1ccn(CC(=O)N(C)C)n1 726080469 GLFUOFOZFDPOLZ-UHFFFAOYSA-N 284.276 -0.636 50 20 CBGD Cc1c(C(=O)NNC(=O)c2ccccc2O)nnn1C 743291568 MRGRFEBVRQKYGK-UHFFFAOYSA-N 275.268 -0.096 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NCCCS(C)(=O)=O 746516760 WVBRWAOVKVBDFT-UHFFFAOYSA-N 279.362 -0.202 50 20 CBGD CC(C)NC(=O)NNS(=O)(=O)CCOC(C)C 749012007 ORQKRBZQONOZQQ-UHFFFAOYSA-N 267.351 -0.047 50 20 CBGD COC(=O)c1ccc(NNC(=O)CS(C)(=O)=O)nc1 759737837 HGUNQJPFFXRALJ-UHFFFAOYSA-N 287.297 -0.644 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)CC[C@@H]1O 778252425 GWGVUWGGUCUVEC-WPRPVWTQSA-N 255.318 -0.754 50 20 CBGD CCn1nccc1C=NNC(=O)NCC(=O)OC 779820772 JUZUOESJBGKASS-UHFFFAOYSA-N 253.262 -0.291 50 20 CBGD NC(=O)C(=O)NN=C1CC[C@@H](C(=O)O)c2ccccc21 788950713 JTMKAQKLSMODKU-SECBINFHSA-N 275.264 -0.046 50 20 CBGD CSCCNC(=S)NNC(=O)c1[nH]nnc1C 790011151 VAKLLCJITUWYSI-UHFFFAOYSA-N 274.375 -0.415 50 20 CBGD N#CC1(CNC(=O)NNC(=O)C(=O)N2CCCC2)CC1 797581214 NVZDRSLEKWPAKX-UHFFFAOYSA-N 279.300 -0.757 50 20 CBGD Cn1cc(C(=O)NNC(=O)Cn2cc(Cl)cn2)cn1 806881160 JAJHRRQAUBQHJE-UHFFFAOYSA-N 282.691 -0.269 50 20 CBGD CC(C)CC(=O)NNC(=O)NCC(=O)NCC#N 807554350 GHGFNHLKXGEQNF-UHFFFAOYSA-N 255.278 -0.997 50 20 CBGD CCN(CCO)NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 823833728 GVCFXFJRSBJPES-PHIMTYICSA-N 297.355 -0.493 50 20 CBGD COC(=O)c1cccc(C(=O)NN(C)C[C@@H](C)O)n1 824207214 BPWXGAASUDYICI-MRVPVSSYSA-N 267.285 -0.174 50 20 CBGD COC[C@H](OC)C(=O)NNc1cc(Cl)nc(N)n1 831987412 BRUQHWLSFVHQGW-YFKPBYRVSA-N 275.696 -0.183 50 20 CBGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCN 841921170 ONFSBDBUZKHSNV-QMMMGPOBSA-N 284.291 -0.118 50 20 CBGD CO[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)C1CC1 843658870 WNWVVYFZYOZYSR-HGNGGELXSA-N 256.302 -0.016 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccnc1O 843972099 FTKYEGNZXOZYAS-YUMQZZPRSA-N 265.269 -0.027 50 20 CBGD C[C@@H](O)c1cn(C2CN(S(=O)(=O)CCl)C2)nn1 849383685 GUAPFBVJQVFZAC-ZCFIWIBFSA-N 280.737 -0.286 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cnc(C)n1C 853331367 PXPFNWUQXKBJCF-UHFFFAOYSA-N 253.262 -0.465 50 20 CBGD CCC[C@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858102969 HUWQGTJLBMCTPE-YUMQZZPRSA-N 256.306 -0.216 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(F)(F)F 858461810 XFBCLZKXESTGAO-CRCLSJGQSA-N 282.222 -0.454 50 20 CBGD C[C@@H](C(=O)NNc1ncc(F)cn1)[C@H]1CCC(=O)N1 860463364 SRTDQVUXBREKLT-HTRCEHHLSA-N 267.264 -0.027 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 862455493 GIPODTQWULUFFB-SSDOTTSWSA-N 278.293 -0.341 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2nccs2)N1 862458786 JGPIUDMXRQZNAY-YFKPBYRVSA-N 254.271 -0.817 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H](O)Cc2ccccc2)N1 862459376 SBURKQAVIWBTSG-QWRGUYRKSA-N 291.307 -0.984 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc(F)c(O)c(F)c2)N1 862461364 OJWUZDHYSAJCAX-QMMMGPOBSA-N 299.233 -0.290 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCN1C1CCCC1 862469115 ZABLMNPFKFHDDM-JTQLQIEISA-N 269.345 -0.078 50 20 CBGD O=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(B(O)O)ccc1F 863879612 WPSMBFJPTYNHKZ-AOOOYVTPSA-N 291.087 -0.158 50 20 CBGD O=C1C[C@@H](C(F)(F)F)[C@@H](C(=O)NNC(=O)C2CC2)CN1 873750609 JAPZVDPEVYAPFP-NKWVEPMBSA-N 293.245 -0.142 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@H]2CCCC(=O)N2C)n1 895275877 KIYCXJXBPQWSPC-SECBINFHSA-N 292.343 -0.003 50 20 CBGD C[C@@H](C(=O)NNC(=O)CN1CCCC1=O)n1cccn1 920436084 VNUPJUNSQQBAHP-VIFPVBQESA-N 279.300 -0.786 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1cn(C)c(C)n1 1115962142 KEUYCIMYCSOMLZ-UHFFFAOYSA-N 261.307 -0.759 50 20 CBGD COC(=O)c1cc(NC(=O)NNC(=O)CCO)cn1C 1116610841 IWMITSHQYFPDFU-UHFFFAOYSA-N 284.272 -0.653 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccsn2)N1 1118942049 BAHBPYUHQJBHFO-RXMQYKEDSA-N 254.271 -0.817 50 20 CBGD CC(=O)N1CC[C@](C)(C(=O)N2CC[C@H](B(O)O)C2)C1 1118976703 ZAJQKEJSGHVNTG-JQWIXIFHSA-N 268.122 -0.680 50 20 CBGD COC[C@@H](C)NC(=S)NNC(=O)c1cccnn1 1119617528 KVSJFTRHXFNUKS-SSDOTTSWSA-N 269.330 -0.380 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnnn1C 1261498249 ZBVPZKBEUMMLBU-RNFRBKRXSA-N 253.262 -0.999 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)c1cn(C)nc1C 1318882528 NFRBKNCUDXPKRK-LURJTMIESA-N 283.288 -0.707 50 20 CBGD CC[C@@H]1C[C@@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 1329079230 VYEHGFAMKZQKJO-IVZWLZJFSA-N 283.328 -0.382 50 20 CBGD Cn1ccc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 1330029190 PNJAXPNBVDHFFX-VIFPVBQESA-N 279.300 -0.866 50 20 CBGD CN(NC(=O)c1cccc(NS(C)(=O)=O)c1)C(N)=O 1337365278 KRWBKTQOYBRTMU-UHFFFAOYSA-N 286.313 -0.287 50 20 CBGD O=C(CC[C@@H]1NC(=O)NC1=O)NNc1ccnc(F)c1 1342048119 BZDBQYTVLJLXTN-ZETCQYMHSA-N 281.247 -0.348 50 20 CBGD CC(C)C(=O)NNC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1 1346266009 YZSNCOUQSBHTOC-JTQLQIEISA-N 279.300 -0.284 50 20 CBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NN=c1cc[nH]cc1 1521309060 RWYHMWFKBDDJGI-PWSUYJOCSA-N 261.329 -0.665 50 20 CBGD CN(C)C(=O)NNC(=O)c1sccc1-c1nn[nH]n1 1591004371 ZBLANQBTZKXTJX-UHFFFAOYSA-N 281.301 -0.156 50 20 CBGD CO[C@H](CNC(=O)NNC(=O)C(=O)O)CC(C)C 1599050040 QRYHXXKLERYWRK-ZETCQYMHSA-N 261.278 -0.538 50 20 CBGD O=C(NC[C@H]1CCOc2ccccc21)NNC(=O)C(=O)O 1601486958 VORSFJIHVIDTHW-MRVPVSSYSA-N 293.279 -0.032 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCCN2CCCC[C@H]12 1601553024 RCUGACYXYNJOOS-RKDXNWHRSA-N 284.316 -0.582 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1C[C@H](C(=O)O)C1 1604833243 BIFLQNSRMMEGQL-BGZDPUMWSA-N 285.300 -0.395 50 20 CBGD CC[C@@H](C(=O)O)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1604869893 YELFHAMNHMCHSF-RKDXNWHRSA-N 292.357 -0.411 50 20 CBGD O=C(O)C1=NO[C@@H](C(=O)NNc2ccncn2)C1 1605971419 ZFASSRITAPDEDN-ZCFIWIBFSA-N 251.202 -0.851 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 1610699379 WDDMIASCOVCKAQ-XLPZGREQSA-N 283.284 -0.641 50 20 CBGD CN(CC(=O)N1CC=C(C#N)CC1)[C@H]1CCS(=O)(=O)C1 1647133666 RCENPVNSPYJOPO-LBPRGKRZSA-N 297.380 -0.212 50 20 CBGD CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1795330299 LWEZURIZOIRJEP-VLEAKVRGSA-N 290.747 -0.804 50 20 CBGD CCOC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 42871487 WSRLCMFYGIGDJY-LURJTMIESA-N 265.291 -0.866 50 20 CBGD CCOC(=O)NNC(=O)NC1CCN(C(C)=O)CC1 43880620 BXEFAWOPCZJPQU-UHFFFAOYSA-N 272.305 -0.042 50 20 CBGD CCCS(=O)(=O)CC(=O)NNC(=O)NCCCOC 49167244 XGKCZGPWTTWLGW-UHFFFAOYSA-N 295.361 -0.822 50 20 CBGD NC(=O)NCCC(=O)NNC(=O)NCCc1cccs1 49197888 HLGXBLICOHTAQK-UHFFFAOYSA-N 299.356 -0.321 50 20 CBGD CC(C)NC(=O)NNC(=O)Cn1cc([N+](=O)[O-])cn1 49468123 JAJVCZMKRRXECN-UHFFFAOYSA-N 270.249 -0.470 50 20 CBGD CCC[C@@H](C)N1C[C@@H](C(=O)NNC(=O)NC)CC1=O 97714377 QKSWVXBPIGNIHE-BDAKNGLRSA-N 270.333 -0.016 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CCCCS1(=O)=O 281291912 QXQKNJSHXYYOJH-QMMMGPOBSA-N 291.398 -0.365 50 20 CBGD CO[C@H](C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 494458167 YQPZRGVVZJBHCS-SSDOTTSWSA-N 275.305 -0.307 50 20 CBGD COC(=O)NNC(=O)[C@H](C(C)C)N1CCCS1(=O)=O 495327277 XLBKGGWATCXCHE-QMMMGPOBSA-N 293.345 -0.566 50 20 CBGD Cc1c(CCC(=O)Nc2cccc(B(O)O)c2)cnn1C 584913148 PNZLPVDSMPFEED-UHFFFAOYSA-N 287.128 -0.020 50 20 CBGD CC[C@@H](NC(=O)c1cccc(B(O)O)c1)c1nc[nH]n1 584951346 PNLYNMLOKUXDHX-SNVBAGLBSA-N 274.089 -0.634 50 20 CBGD C[C@H](NC(=O)c1ccc(B(O)O)cc1)C1CCOCC1 584959183 DAAYCKUWYOCMEX-JTQLQIEISA-N 277.129 -0.089 50 20 CBGD CC[C@@H](C)[C@H](CO)NC(=O)c1ccc(B(O)O)cc1 584968295 ACJZBLBMEHMZGA-SKDRFNHKSA-N 265.118 -0.497 50 20 CBGD CO[C@@]1(C)C[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 585007490 AYBFMCXQEYGOBZ-PWSUYJOCSA-N 267.065 -0.587 50 20 CBGD COCCOCCNCc1cccc(B(O)O)c1 585018883 VVRKTHQBGFGTSH-UHFFFAOYSA-N 253.107 -0.881 50 20 CBGD OB(O)c1cccc(CNCCCN2CCC(O)CC2)c1 585018900 WEOYBOOBOSQBAU-UHFFFAOYSA-N 292.188 -0.697 50 20 CBGD C[C@@H]1CCN(CCNCc2ccccc2B(O)O)C1 585034597 RKASOAUVDTUPOU-GFCCVEGCSA-N 262.162 -0.202 50 20 CBGD OB(O)c1ccc(CNCCn2cnnc2C2CC2)o1 585034741 SUEMEFPZPFZURY-UHFFFAOYSA-N 276.105 -0.782 50 20 CBGD O=C(NCB(O)O)[C@H]1CCCCN1C(=O)c1cccs1 585056378 UDDWRQYLBDQJPJ-SECBINFHSA-N 296.157 -0.129 50 20 CBGD O=[N+]([O-])c1cnc2ccc(N3CC[C@@H](B(O)O)C3)nn12 585078541 GIAKYMCMJDCSEB-SSDOTTSWSA-N 277.049 -0.309 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@H]1CCC(=O)N1 726138648 HLIYTQUAGPLUBP-ZCFIWIBFSA-N 258.347 -0.441 50 20 CBGD CO[C@H]1CCCCC1=NNC(=O)[C@@H](C)NS(C)(=O)=O 728434443 LSYCMGGXFYQQNF-SCZZXKLOSA-N 291.373 -0.015 50 20 CBGD CSC[C@@H](C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 731324049 IBKPPLQDXQGRAP-SFYZADRCSA-N 294.398 -0.432 50 20 CBGD CCN(CC(=O)NNC(=O)C(C)(C)C)CC(=O)N(C)C 744403520 QTNNHWVZPRCPEQ-UHFFFAOYSA-N 286.376 -0.410 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CCN(C)[C@H](C)C1 745857778 KYPHDZQSRNYXOY-ZJUUUORDSA-N 272.349 -0.164 50 20 CBGD CO[C@@H](C)CC(=O)NNC(=O)CNC(=O)c1ccco1 751200542 WQCCAHDHVUTTEJ-QMMMGPOBSA-N 283.284 -0.418 50 20 CBGD CO[C@H](C)C(=O)NNC(=O)CNC(=O)c1ccco1 751204196 VWFGEWUCTDVNKJ-SSDOTTSWSA-N 269.257 -0.808 50 20 CBGD Cc1nn(C)c(C)c1[C@H](C)C(=O)NNC(=O)CO 753444242 HMFGPELRZFQTCS-LURJTMIESA-N 254.290 -0.720 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCOC[C@H]1C#N 756879986 DUBQAJLXWNJNNO-SECBINFHSA-N 268.317 -0.596 50 20 CBGD CCOC(=O)c1cc(NC(=O)NNC(=O)CO)cn1C 757592236 GKBPORWBHOOILH-UHFFFAOYSA-N 284.272 -0.653 50 20 CBGD COCC(=O)NNC(=O)Nc1cc(OC)ncn1 757759351 XHKWQXRHKWANSS-UHFFFAOYSA-N 255.234 -0.716 50 20 CBGD CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NNC(=O)CO 777781839 MEGQMIVLIYMVPY-SNVBAGLBSA-N 299.352 -0.358 50 20 CBGD CS(=O)(=O)NCCC(=O)NNc1ccnc(F)c1 781367012 YUOFHGWKONDLES-UHFFFAOYSA-N 276.293 -0.397 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c[nH]nc1C 785577773 KYQFMXSFPXMGME-ZETCQYMHSA-N 268.273 -0.179 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC(=O)N(CC2CC2)C1 789377336 HQYNBYYPFVYBCO-VIFPVBQESA-N 282.344 -0.556 50 20 CBGD C[C@@H]1CCC(=NNC(=O)C(N)=O)[C@H](n2cncn2)C1 794460476 SQDKWROJIOHZSK-VXNVDRBHSA-N 264.289 -0.403 50 20 CBGD COC(=O)c1cn(CC(=O)NNc2cccc(F)n2)nn1 804769231 JVXJKTPBWZCZOP-UHFFFAOYSA-N 294.246 -0.258 50 20 CBGD CN(C)CC(=O)NNC(=O)c1occ2c1CCOC2 806770937 GHIANFJPQTXPBK-UHFFFAOYSA-N 267.285 -0.325 50 20 CBGD COc1cccnc1CC(=O)NNC(=O)c1cnn(C)c1 806881056 FZPGQVGJDBZCAU-UHFFFAOYSA-N 289.295 -0.173 50 20 CBGD CN1CCN(C(=O)NNC(=O)COC(F)F)CC1 807381123 DYTCWWRRVCGTCQ-UHFFFAOYSA-N 266.248 -0.786 50 20 CBGD Cc1ccccc1-n1cc(C=NNC(=O)C(N)=O)nn1 807945018 ZPIARTDWGOLDOV-UHFFFAOYSA-N 272.268 -0.489 50 20 CBGD CCOCC(=O)NNC(=O)NCCc1cn[nH]c1 812521970 XFEBZPIKNLPVRZ-UHFFFAOYSA-N 255.278 -0.681 50 20 CBGD COCCCNC(=O)NNC(=O)Cc1cncc(O)c1 823816492 VIABCMMEOOOJRU-UHFFFAOYSA-N 282.300 -0.303 50 20 CBGD C=C[C@](C)(O)C(=O)NNC(=O)CNC(=O)c1cccs1 825273547 INDOPKQKTHNJQT-LBPRGKRZSA-N 297.336 -0.438 50 20 CBGD C[C@H](CC(=O)O)C(=O)NNc1ncnc2[nH]cnc12 827304322 RRWFGQGFYZGKJK-RXMQYKEDSA-N 264.245 -0.093 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccn(C)n1 831401461 VFQGLMXQLUCMSP-JGVFFNPUSA-N 267.289 -0.002 50 20 CBGD CCOCCOCCCC(=O)NNC(=O)C(C)(C)O 832754976 XPJGTCBETKCDHK-UHFFFAOYSA-N 276.333 -0.262 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2C[C@@H]2C(=O)O)n[nH]1 832864455 GPIFVTNGHSRTNR-WDSKDSINSA-N 252.230 -0.800 50 20 CBGD C[C@H](CN)NC(=O)NNC(=O)COCc1ccccc1 841971797 YHIJYLWLMKCYLD-SNVBAGLBSA-N 280.328 -0.119 50 20 CBGD COCCS(=O)(=O)NNC(=O)[C@@H]1CCO[C@H]1C 842591867 GVXRCXQNYFKOPH-JGVFFNPUSA-N 266.319 -0.992 50 20 CBGD O=C(Cn1nc2n(c1=O)CCCC2)NNC(=O)C1CCC1 845483750 OVOOGYDRNUZELD-UHFFFAOYSA-N 293.327 -0.671 50 20 CBGD COCCN(C)NC(=O)c1ccn(CCN(C)C)n1 848056198 NCCCTRLXXRJLDA-UHFFFAOYSA-N 269.349 -0.332 50 20 CBGD COCCN(C)NC(=O)C1=C(C)N(C)c2nnnn2[C@@H]1C 848056447 ALMIQAKNMUXZBZ-SECBINFHSA-N 295.347 -0.433 50 20 CBGD CCC(=O)NNS(=O)(=O)N1CCC(OC)CC1 849303608 GUGXTZQHGXKLFJ-UHFFFAOYSA-N 265.335 -0.627 50 20 CBGD CNC(=S)N(C)NC(=O)Cn1ccc(C)cc1=O 854921209 ZPNKYDHGFFJBRJ-UHFFFAOYSA-N 268.342 -0.376 50 20 CBGD CCN(CC)C[C@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858278937 MBBFMAYISRJAFP-VHSXEESVSA-N 299.375 -0.674 50 20 CBGD CO[C@H](C)[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858468272 FTCJPTUFMDCYRA-PRJMDXOYSA-N 272.305 -0.981 50 20 CBGD CCn1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 861214907 SPSAAODHWSBETK-SSDOTTSWSA-N 280.288 -0.666 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1nc(Cl)cs1 863466468 TVLCRYNOAPESQR-UHFFFAOYSA-N 297.745 -0.398 50 20 CBGD CC[C@H](C)[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)OC 863871634 WDMQXRYJJOPFOQ-CABZTGNLSA-N 293.128 -0.316 50 20 CBGD CC1(C)C[C@H](NC(=O)c2cccc(B(O)O)c2)C(=O)O1 863877938 LJMVLQUUSTZIPH-JTQLQIEISA-N 277.085 -0.810 50 20 CBGD CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1cccc(B(O)O)c1 863879684 XYLOSLYZNJBGPM-ZJUUUORDSA-N 293.128 -0.316 50 20 CBGD O=C(NOC[C@H]1CCOC1)c1ccc(B(O)O)cc1 863880046 LNIDQELDALKQGO-VIFPVBQESA-N 265.074 -0.936 50 20 CBGD CC(C)OCCONC(=O)c1cc(B(O)O)ccc1F 863882572 MHRLQXCSYGIXRG-UHFFFAOYSA-N 285.080 -0.408 50 20 CBGD COC(=O)C(C)(C)N(C)C(=O)c1ccc(B(O)O)cc1 863885354 IAVYSBQDBARCQK-UHFFFAOYSA-N 279.101 -0.610 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CCCNC1=O 864594078 NNTGKGNJISUJDD-MRVPVSSYSA-N 264.285 -0.688 50 20 CBGD O=C1CN(CC(=O)NCC(Cl)Cl)CCN1 908184089 AVVWCYQCPHSUET-UHFFFAOYSA-N 254.117 -0.662 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccnc2c1nnn2C 910159163 ZYZPCOLLXDPJLK-SSDOTTSWSA-N 264.289 -0.679 50 20 CBGD CC(C)(O)CCC(=O)NNC(=O)CN1CCCC1=O 913732060 GRHRZOOXMBODDK-UHFFFAOYSA-N 271.317 -0.693 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)NCC(F)(F)F)CC1=O 920437004 OEZDUMFJDYLAIU-LURJTMIESA-N 296.249 -0.253 50 20 CBGD CC(C)NC(=S)NNC(=O)c1cccc(=O)n1C 1116383751 BJIMXUXGFMZMEA-UHFFFAOYSA-N 268.342 -0.097 50 20 CBGD Cc1nc(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)n[nH]1 1118712108 HCNHOIAQUQLTTR-XPUUQOCRSA-N 267.289 -0.772 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2ccncc2)N1 1118810776 MPJPQXPLBWQWTO-SECBINFHSA-N 277.284 -0.809 50 20 CBGD COCC[C@@H](C)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1118865662 PVRFILJRUOWVKX-BDAKNGLRSA-N 286.332 -0.732 50 20 CBGD Cc1c[nH]nc1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1261545183 SEBZLJKWOISHGB-VIFPVBQESA-N 286.357 -0.176 50 20 CBGD C#CCCCCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1319777559 WSWWMNYJBUAPCG-SNVBAGLBSA-N 286.353 -0.238 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccnc(C)n1 1321905878 LQENDBPIPQPQNR-MRVPVSSYSA-N 299.356 -0.437 50 20 CBGD COc1nccnc1NNC(=O)C[C@@H]1CCC(=O)NC1 1328675011 LUEQEQJOKGYSAW-QMMMGPOBSA-N 279.300 -0.155 50 20 CBGD O=C(c1cncc(N2CCCC2)n1)N1CC[C@H](B(O)O)C1 1329657139 OSHAPQDGOGDFMY-JTQLQIEISA-N 290.132 -0.234 50 20 CBGD COCCN(C)NC(=O)c1cn(CC2(C)COC2)nn1 1330432239 OJYFHGSMCNPPRB-UHFFFAOYSA-N 283.332 -0.462 50 20 CBGD C/C=C/C[C@H](CO)NC(=O)NNC(=O)c1cn[nH]c1 1331313665 YRBMDGDPKFSQAI-GKQMSVHHSA-N 267.289 -0.319 50 20 CBGD C[C@H]1[C@@H](C)OCCN1C(=O)NNC(=O)c1cn[nH]c1 1334930151 JGDJXQAOOJTZTM-JGVFFNPUSA-N 267.289 -0.127 50 20 CBGD Cc1[nH]nc2ncc(C(=O)N3CC[C@@H](B(O)O)C3)cc12 1335431427 JKQUMCHOTWFCGK-SECBINFHSA-N 274.089 -0.045 50 20 CBGD COCCN(C)NC(=O)Cn1nc2n(c1=O)CCCCC2 1348038872 QQDTVNLQRRNIFG-UHFFFAOYSA-N 297.359 -0.619 50 20 CBGD CC(=O)Nc1nc(C(=O)N2CC[C@H](B(O)O)C2)cs1 1348490042 KXZYEQAOLITSFS-ZETCQYMHSA-N 283.118 -0.210 50 20 CBGD CC1(C)CC[C@H](CO)N(C(=O)c2cccc(B(O)O)c2)C1 1353803153 ZWBFXJDPTCTVNA-CYBMUJFWSA-N 291.156 -0.011 50 20 CBGD NCC(=O)NNC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 1580210772 QMDDYADHWHURJE-VXGBXAGGSA-N 279.296 -0.751 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)N2C[C@H](O)C[C@@H]2C(=O)O)cn1 1600945537 HLUVCGVYTOZULB-SAEIKCINSA-N 290.279 -0.627 50 20 CBGD NC(=O)NN=Cc1cn(C2CCOCC2)nc1C(=O)O 1776032901 DHPUOVKZYYOSGB-UHFFFAOYSA-N 281.272 -0.065 50 20 CBGD CCOC(=O)NNC(=O)CN1C(=O)NC2(CCCC2)C1=O 48089638 KUHGKDGPTGAQFL-UHFFFAOYSA-N 298.299 -0.372 50 20 CBGD CC(C)CC(=O)NNS(=O)(=O)c1cnn(C)c1 48653584 KPGTYZMAMSKLFE-UHFFFAOYSA-N 260.319 -0.224 50 20 CBGD CCOCC(=O)NNC(=O)NCCN(CC)C1CC1 66702850 ZNDAWJVOHLYXTH-UHFFFAOYSA-N 272.349 -0.162 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)c1ccc(C#N)cc1 142418099 RYRGVANRAMLURT-UHFFFAOYSA-N 274.280 -0.202 50 20 CBGD CC(C)CS(=O)(=O)CCC(=O)NNC(=O)NC1CC1 143231829 OYJZWFBQTXNYIO-UHFFFAOYSA-N 291.373 -0.060 50 20 CBGD O=C1C[C@H](NS(=O)(=O)CCCCCl)CN1 232227914 CMPVGZDVYZHUDP-ZETCQYMHSA-N 254.739 -0.187 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC=CCC1 264181303 YTKQVJOBXJFTQY-BDAKNGLRSA-N 289.357 -0.572 50 20 CBGD CC1=C(C(=O)NNC(=O)C(=O)NC2CC2)CCCO1 270037629 GBSIRWJWAXWLKG-UHFFFAOYSA-N 267.285 -0.503 50 20 CBGD CN(NC(=O)CCNC(=O)OCC(F)(F)F)C(N)=O 271390838 UDOWUIKCXORYPA-UHFFFAOYSA-N 286.210 -0.293 50 20 CBGD COC[C@H](CNC(=O)NNc1ncccn1)OC 272940504 LVJBGJOSTCQWOI-QMMMGPOBSA-N 255.278 -0.236 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@H](C(=O)O)O1)c1ccc[nH]1 276238449 ZYYPRBJQGUEVHH-HTQZYQBOSA-N 267.241 -0.592 50 20 CBGD CC(=O)NNC(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 277074556 JCDSZFXUPLNHIB-DTWKUNHWSA-N 287.316 -0.476 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCn1cc(Cl)cn1 277923567 IYHMJHJEVSBUGK-UHFFFAOYSA-N 274.708 -0.155 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C1(C)COC1 495287286 VEEAFRKUDMPHGH-UHFFFAOYSA-N 287.316 -0.305 50 20 CBGD COC(=O)NNC(=O)c1c[nH]nc1-c1cnn(C)c1 495513324 WLLYBISFCNKLOJ-UHFFFAOYSA-N 264.245 -0.189 50 20 CBGD C[C@@H]1C[C@H](C(=O)Nc2cccc(B(O)O)c2)CC(=O)N1 584913716 IPXXPTCBAUOWGA-BDAKNGLRSA-N 276.101 -0.780 50 20 CBGD C[C@@H](CN1CCCC1=O)NC(=O)c1ccc(B(O)O)cc1 584935561 PETFVSKXFGNREB-JTQLQIEISA-N 290.128 -0.893 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1[C@H]2CC[C@H]1CC(O)C2 584948417 LUBLHRTYWNATQR-RYUDHWBXSA-N 275.113 -0.506 50 20 CBGD CCC1(O)CN(C(=O)c2cc(B(O)O)ccc2F)C1 584987686 RUQVMXITZKRWPS-UHFFFAOYSA-N 267.065 -0.898 50 20 CBGD CC1(C)C[C@]1(C#N)NC(=O)c1cccc(B(O)O)c1 584990268 AFWKJBHLYIFXEY-CYBMUJFWSA-N 258.086 -0.212 50 20 CBGD COC[C@@H](C)CNCc1ccc(B(O)O)cc1F 585019530 NMYFWHGKEDSOPE-VIFPVBQESA-N 255.098 -0.122 50 20 CBGD OB(O)c1ccccc1CN[C@H]1CCc2n[nH]cc2C1 585029064 CFJWQRVECPLLHS-LBPRGKRZSA-N 271.129 -0.263 50 20 CBGD CC1(C)C[C@H]1CNC(=O)NNC(=O)C(=O)NC1CC1 732893012 MPHCILPFLIZNJT-ZETCQYMHSA-N 268.317 -0.359 50 20 CBGD O=C(CN(CCCO)C1CC1)NNC(=O)C1CC1 740878773 XNTUUVMJKJUKAC-UHFFFAOYSA-N 255.318 -0.609 50 20 CBGD CC(C)NC(=O)NNC(=O)CCCN1C(=O)CCC1=O 745139688 RHIFJEDFLYWPJW-UHFFFAOYSA-N 284.316 -0.346 50 20 CBGD Cc1nn(C)c(C)c1OCC(=O)NNC(=O)C1CC1 758363259 WROHHBHGWFEGLF-UHFFFAOYSA-N 266.301 -0.027 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccsc1 764302699 FFHLVYYMUHJFDX-UHFFFAOYSA-N 257.271 -0.520 50 20 CBGD CCCn1cc(C(=O)NNC(=O)CN(C)C)nn1 767143762 BOLFOYLTSKCNRI-UHFFFAOYSA-N 254.294 -0.989 50 20 CBGD CCOc1nc(C(=O)NNC(=O)c2cnn(C)c2)co1 773062283 NICQQXTWXHLOGT-UHFFFAOYSA-N 279.256 -0.118 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C1(COC)CC1 778784806 SCEPMMGTEQNRKI-UHFFFAOYSA-N 285.344 -0.135 50 20 CBGD CC(C)N1CCN(CC(=O)NNC(=O)C2CC2)CC1=O 780369360 GEIKKFJTLGTVSS-UHFFFAOYSA-N 282.344 -0.904 50 20 CBGD CC(C)(C)C(=O)NNC(=O)c1cccc(C(N)=O)n1 781942443 BAYMGQWCRRJMBY-UHFFFAOYSA-N 264.285 -0.012 50 20 CBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)CO1 784150066 YLCYTGZQFLUGDU-RKDXNWHRSA-N 269.301 -0.819 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)C(F)F 787292226 YVUXBJBABKTZNF-UHFFFAOYSA-N 261.184 -0.578 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](CC)C(=O)OC 791634733 IOIOATBEXHEFMF-YUMQZZPRSA-N 288.300 -0.325 50 20 CBGD Cc1cnc(COCC(=O)NNC(=O)C(C)(C)O)o1 803159573 OCIFWATZAZQHLC-UHFFFAOYSA-N 271.273 -0.582 50 20 CBGD CCCNC(=O)NNC(=O)c1nn(CC)nc1C 815122995 STQFWZJJGKVCAH-UHFFFAOYSA-N 254.294 -0.040 50 20 CBGD O=C(NCC1=CCCC1)NNC(=O)C(=O)NC1CC1 823099337 XBGZHZLISNRIEN-UHFFFAOYSA-N 266.301 -0.294 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCCN1C(=O)C1CC1 823912414 FQFMAZSDODBOGZ-ONGXEEELSA-N 269.345 -0.269 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccc2nnnn2c1 823947152 SWUDJBWMAUNQBV-ZETCQYMHSA-N 250.262 -0.918 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1ccnc(OCCO)c1 825864302 PIJOOGFCDYELPF-UHFFFAOYSA-N 297.315 -0.833 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@](C)(C(N)=O)C1 827275506 VOHLRNSHKBFANJ-RVBZMBCESA-N 298.343 -0.651 50 20 CBGD CC(C)C(=O)NNC(=O)CN(C)CCN(C)C1CC1 828916868 IKLXKZYJLDMWDF-UHFFFAOYSA-N 270.377 -0.184 50 20 CBGD CCC[C@@H](C(=O)NNc1ccccn1)S(N)(=O)=O 831755591 LDVJNMUODIKUQK-QMMMGPOBSA-N 272.330 -0.018 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1cccnc1F 832066101 ZNJGPEHCQGBQHF-UHFFFAOYSA-N 255.253 -0.065 50 20 CBGD CCn1cc(S(=O)(=O)NNC(=O)O)c([N+](=O)[O-])n1 833683792 YPHGIPDRWZWIGH-UHFFFAOYSA-N 279.234 -0.728 50 20 CBGD CON1CCC(=NNC(=O)CN2CCCC2=O)CC1 834935098 YTWAENRNWOEAGE-UHFFFAOYSA-N 268.317 -0.262 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)on1 843980815 WWYXJCFOVWMDHL-RNFRBKRXSA-N 297.267 -0.353 50 20 CBGD NCC(F)(F)CNS(=O)(=O)CBr 850586470 VBVIIYLEXMMICS-UHFFFAOYSA-N 267.095 -0.148 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@]1(O)CCOC1 854997570 ODQFXLPXHLNGME-ZETCQYMHSA-N 256.180 -0.762 50 20 CBGD C=CCCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858366519 GGAABMAMLLGRHO-VIFPVBQESA-N 268.317 -0.048 50 20 CBGD COc1cnc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 861066129 GGHPNICQJOZXFE-RXMQYKEDSA-N 299.312 -0.417 50 20 CBGD CCC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccn(C)n1 863147515 HRIXNKXIZRSXKT-SNVBAGLBSA-N 263.301 -0.071 50 20 CBGD CC(C)N(C)S(=O)(=O)NNC(=O)c1cn[nH]c1 863413328 FQKMSGJBWXXHAV-UHFFFAOYSA-N 261.307 -0.771 50 20 CBGD C=CC(=O)N(CC)CC(=O)NNC(=O)NCC1CC1 900385363 URZQXYXRUVGLSM-UHFFFAOYSA-N 268.317 -0.239 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21 906418109 SIAALZZHDLBECR-UJNFCWOMSA-N 269.301 -0.422 50 20 CBGD O=C1CC[C@@H]2[C@H]1[C@@H]2C(=O)NNC(=O)[C@H]1CCCCO1 908517361 JMPYSOMROHHJHY-QCNRFFRDSA-N 266.297 -0.072 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1c(O)cccc1F 913732374 UBYNLSLDDCULFP-UHFFFAOYSA-N 295.270 -0.085 50 20 CBGD CNC(=O)NN=Cc1ccc(OCC(N)=O)cc1 920377163 NIVQMKZFWFHJEX-UHFFFAOYSA-N 250.258 -0.186 50 20 CBGD CC(C)N1CCC[C@H]1C(=O)NNC(=O)N1CCN(C)CC1 935859906 GQEXVHCSARPIKA-LBPRGKRZSA-N 297.403 -0.153 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1c(C)ccn(C)c1=O 1116603543 FNUBSXWJHARZGW-UHFFFAOYSA-N 296.283 -0.590 50 20 CBGD CNC(=O)CCCCC(=O)NNC(=O)NCCCOC 1116681900 AXSMZYGGEXPNHI-UHFFFAOYSA-N 288.348 -0.340 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)NC(C)C)ccn1 1116843245 AFBRNRURYZTFFF-UHFFFAOYSA-N 264.285 -0.324 50 20 CBGD Cn1nncc1NNC(=O)c1cn(C(C)(C)C)nn1 1118826721 FKVXYPIATNMRAP-UHFFFAOYSA-N 264.293 -0.082 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC2(CC1)CNC(=O)O2 1119700222 GDBHZUODQSXTLT-SECBINFHSA-N 298.343 -0.493 50 20 CBGD Cc1c(C(=O)NNc2cc(Cl)nc(N)n2)nnn1C 1254646335 XXDKCIPGJBOOFI-UHFFFAOYSA-N 282.695 -0.094 50 20 CBGD N#CC1=CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 1261512598 RUSAHTIMXCBLMP-SECBINFHSA-N 255.299 -0.640 50 20 CBGD CN(C)CCCCC(=O)NNC(=O)C(=O)N1CCCC1 1318671453 CMCYCTWAQIQZFK-UHFFFAOYSA-N 284.360 -0.512 50 20 CBGD Cn1cnnc1SCC(=O)NNC(=O)C1CC1 1318720333 WJORXWVPVCXZCQ-UHFFFAOYSA-N 255.303 -0.535 50 20 CBGD COc1ccc(C(=O)NNC(=O)N=c2nc[nH]n2C)cc1 1320260373 UGQNRKKMBGVCOI-UHFFFAOYSA-N 290.283 -0.288 50 20 CBGD Cn1ccnc(NNC(=O)C2(C(=O)NC3CC3)CC2)c1=O 1323508323 LRIJTFPFUXJZGE-UHFFFAOYSA-N 291.311 -0.718 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCn1cncn1 1327166295 BXXZDCHKXDXNTO-RKDXNWHRSA-N 267.289 -0.759 50 20 CBGD Cc1ccc([C@H](O)CNC(=O)NNC(=O)c2cn[nH]c2)o1 1328731708 PHVNGEJHVQQFMV-SECBINFHSA-N 293.283 -0.011 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCn1cncn1 1332068672 HBUWTNNDQUERLL-IUCAKERBSA-N 282.304 -0.967 50 20 CBGD C[C@H]1C[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)CCO1 1337274151 JDUBKQPOOOQPPA-VHSXEESVSA-N 283.328 -0.429 50 20 CBGD O=C(/C=C/[C@@H]1CCOC1)NNC(=O)c1cccnn1 1339780393 WSSBFFYVONKBTM-CDAZIORVSA-N 262.269 -0.170 50 20 CBGD CN(NC(=O)c1c(Br)nnn1C)C(N)=O 1343534828 QJYHEOCCIKUQBB-UHFFFAOYSA-N 277.082 -0.767 50 20 CBGD C[C@@H](NC(=S)NNC(=O)c1cc(=O)n(C)cn1)C1CC1 1352232084 ZKZCOYPPWIWAKQ-SSDOTTSWSA-N 295.368 -0.312 50 20 CBGD O=C(NNC(=O)[C@]1(C(=O)O)CCCO1)c1ccccn1 1574579094 UMERDHRUUATQTO-LBPRGKRZSA-N 279.252 -0.524 50 20 CBGD COCCCNC(=O)NNC(=O)[C@]1(C)CCCN1 1579016478 JNLAEMXTRVTPEB-NSHDSACASA-N 258.322 -0.505 50 20 CBGD CC(=NNC(=O)[C@H]1CCO[C@@H]1C)c1cn(CC(=O)O)nn1 1589010572 CGMAHYRNQMEMSR-BDAKNGLRSA-N 295.299 -0.372 50 20 CBGD O=C(O)C1=NO[C@H](C(=O)NNC(=O)c2cccc(F)n2)C1 1594890352 QLEYZYHCDTVGSI-ZETCQYMHSA-N 296.214 -0.789 50 20 CBGD O=C(CCO)NNC(=O)Nc1nc2n(c1C(=O)O)CCC2 1608310813 CAAVVVNXUUJPED-UHFFFAOYSA-N 297.271 -0.937 50 20 CBGD O=C(CN1CCC[C@H](C(=O)O)C1=O)NNc1ccccn1 1608330047 LLLBJKDTNCITJT-VIFPVBQESA-N 292.295 -0.152 50 20 CBGD CC1CCN([C@@H](C)CNC(=O)NNC(=O)C(=O)O)CC1 1609860182 QNONBNKMALUZSP-VIFPVBQESA-N 286.332 -0.478 50 20 CBGD Cc1cnc([C@H](C)NC(=O)NNC(=O)C(=O)O)s1 1610539081 SYXXERACBJWAAT-YFKPBYRVSA-N 272.286 -0.072 50 20 CBGD O=C(O)C[C@@H](NCC(=O)NNC(=O)C1CC1)C1CC1 1610754086 JZFJRUPANBFFFS-SECBINFHSA-N 269.301 -0.613 50 20 CBGD NC(=O)C(=O)NN=Cc1c[nH]c2c(C(=O)O)cccc12 1776015513 CAQHLHHMNPIUQJ-UHFFFAOYSA-N 274.236 -0.199 50 20 CBGD O=C(NNC(=O)[C@H]1CC=CCC1)C(=O)NC1CC1 9889466 LLJLWQLEYAMMFC-QMMMGPOBSA-N 251.286 -0.231 50 20 CBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1O 48413011 QLNDPIPXDXVQQU-MRVPVSSYSA-N 298.320 -0.412 50 20 CBGD CC(C)(C)C(=O)NNC(=O)c1ccc(C(N)=O)cn1 132663650 ZRSXYFCIXCOMCW-UHFFFAOYSA-N 264.285 -0.012 50 20 CBGD COCC(C)(C)C(=O)NNC(=O)c1cnn(C)c1 152374674 CHXKRAJMXCXSEE-UHFFFAOYSA-N 254.290 -0.146 50 20 CBGD O=S(=O)(CCCCl)NC[C@]1(O)CCOC1 227191541 YIIRJJHJOJNHCS-MRVPVSSYSA-N 257.739 -0.314 50 20 CBGD COCC(=O)N(C)CC(=O)NNC(=O)c1ccc(C)s1 270252829 GJYFVMLVSKTMOP-UHFFFAOYSA-N 299.352 -0.078 50 20 CBGD O=C(NNC(=O)C1(O)CCC1)[C@H]1COc2ccccc2O1 273314810 XUJKAGOBKZGNBV-LLVKDONJSA-N 292.291 -0.111 50 20 CBGD CC(C)(C)OC(=O)CCC(=O)NNC(=O)C(=O)NC1CC1 277743437 BQTXMQDDSZOORP-UHFFFAOYSA-N 299.327 -0.466 50 20 CBGD COC(=O)[C@H]1CC[C@@H](C(=O)NN(C)C(=O)OC)O1 290966940 SBXPCKXZRIUZEY-NKWVEPMBSA-N 260.246 -0.564 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)c1cccn1C 298264958 ALCFSTVIRSDSHN-UHFFFAOYSA-N 252.274 -0.736 50 20 CBGD N#C/C(=C\c1ccc(O)cc1)C(=O)NOCC(N)=O 491013473 UKMMBXJFNCPTIL-WEVVVXLNSA-N 261.237 -0.168 50 20 CBGD CCOC(=O)NCCC(=O)NNC(=O)Cc1cc[nH]n1 495302965 XRZWXFHQFVVJMT-UHFFFAOYSA-N 283.288 -0.764 50 20 CBGD CC(C)[C@H](C)NC(=O)COc1ccc(B(O)O)cc1 584910142 XBTLGEPIHHNYTJ-JTQLQIEISA-N 265.118 -0.094 50 20 CBGD CC(C)C(=O)NCCNC(=O)c1cc(B(O)O)ccc1F 584942906 ZNELWDDQBWGJJC-UHFFFAOYSA-N 296.107 -0.993 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCN2CC[C@H]1C2 584995584 NVRYNMYHAOIOJN-JTQLQIEISA-N 278.092 -0.964 50 20 CBGD CN(C[C@@H]1CCCN1C)C(=O)c1ccc(B(O)O)c(F)c1 585000751 OQLNXIFHLKNFPF-NSHDSACASA-N 294.135 -0.328 50 20 CBGD CCN(CCNCc1ccccc1B(O)O)C1CC1 585020788 JFEROVURPXADHZ-UHFFFAOYSA-N 262.162 -0.060 50 20 CBGD OB(O)c1ccc(CNC[C@@H](O)C(F)(F)F)c(F)c1 585021756 NQAPYOVBTJAXSJ-SECBINFHSA-N 281.014 -0.482 50 20 CBGD C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCB(O)O 585056227 RNUNNBOKRYZIOK-XVKPBYJWSA-N 251.047 -0.657 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccccc1O 728436416 GDBOYLTUGUBFMM-QMMMGPOBSA-N 285.325 -0.220 50 20 CBGD CCS(=O)(=O)C[C@H](C)NC(=O)NNC(=O)C1CCC1 733660094 MATGRVARWOEPMF-QMMMGPOBSA-N 291.373 -0.060 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1Cc2ccccc2O1 748273424 GFFOGTQGUPOXDB-SNVBAGLBSA-N 298.320 -0.818 50 20 CBGD CN1CCCC[C@@H]1C(=O)NNc1ccc(C(N)=O)nn1 757402096 ZGAHFDCDHATMJW-SECBINFHSA-N 278.316 -0.497 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C1(N(C)C)CCC1 763007645 DGULDRJBZGPTNB-UHFFFAOYSA-N 270.333 -0.857 50 20 CBGD O=C(CNC(=O)c1cccnc1)NN=C1CCOC1 763196716 WADUDHXRKCRDDL-UHFFFAOYSA-N 262.269 -0.296 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(OC)cc1 764317485 JDIAVBHDDPFSRG-UHFFFAOYSA-N 295.295 -0.182 50 20 CBGD CC(C)NC(=O)C(=O)NN=C1CCN2CCC[C@H]12 765566057 SWOBITPYPICPLD-SNVBAGLBSA-N 252.318 -0.149 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1nonc1N 772053797 YRFPMMVSRHIRHX-ZCFIWIBFSA-N 299.287 -0.609 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCN(C)C2=O)c(O)c1 776124195 SYSXIYKSTOJNSZ-SNVBAGLBSA-N 291.307 -0.060 50 20 CBGD COc1cccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)n1 790155566 MJSBWABUULUFKI-SECBINFHSA-N 297.336 -0.025 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC(=O)N(C2CC2)C1 790464117 JXRVBSYKPCJHJZ-SNVBAGLBSA-N 296.371 -0.168 50 20 CBGD CN(C)N(C(=O)C1=COCC1)[C@H]1CCS(=O)(=O)C1 792852878 AAYGUKDDNHSKCL-JTQLQIEISA-N 274.342 -0.217 50 20 CBGD C[C@@H]1COC(=O)C1=NNC(=O)Cc1cc(O)nc(O)n1 794914529 IRJAUZLMMDSTIP-RXMQYKEDSA-N 280.240 -0.905 50 20 CBGD CC(C)NC(=O)C(=O)NN=Cc1cnc(N(C)C)n1C 811637252 XSXOVQYWFUSTQI-UHFFFAOYSA-N 280.332 -0.539 50 20 CBGD CN(C)c1noc(CNC(=O)NNc2ncccn2)n1 812219664 KWPRZBJUAXWUTC-UHFFFAOYSA-N 278.276 -0.248 50 20 CBGD CN1C(=O)CC[C@H](NC(=O)NNc2cccnn2)C1=O 823904845 BGZZSXMQSQVSJM-ZETCQYMHSA-N 278.272 -0.750 50 20 CBGD COC(=O)c1ccc(C(=O)NN(C)[C@@H](C)CO)[nH]1 823921954 FYXZGEMRBHIDGE-ZETCQYMHSA-N 255.274 -0.241 50 20 CBGD COC(=O)c1cc(C(=O)NN(C)[C@H](C)CO)c[nH]1 823922783 MUFMOSRWSUONOW-SSDOTTSWSA-N 255.274 -0.241 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1CCCCNC1=O 825687010 VUGAKXPLZGJEEU-AEJSXWLSSA-N 298.343 -0.590 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCN(C)C1=O 843970296 DFIBZGOMNGUXLV-XHNCKOQMSA-N 269.301 -0.963 50 20 CBGD CCNC(=O)N(C)NC(=O)C(C)(C)CNC(C)=O 845925614 MAOTZFQPJUVAED-UHFFFAOYSA-N 258.322 -0.159 50 20 CBGD CN(C)CC[C@H](N)C(=O)NNC(=O)c1ccccc1 846678838 DOEXTMDGASVYAT-NSHDSACASA-N 264.329 -0.273 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1cnc[nH]1 852287843 HWBABEDUBSJAHV-MRVPVSSYSA-N 253.306 -0.213 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](N2CCOC2=O)C1 852436791 NJMZBBNLHZGDJE-ZJUUUORDSA-N 298.343 -0.541 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@H]1CCN(C)C1=O)C1CC1 855099892 PXEJUNJIGZOCRV-VXNVDRBHSA-N 284.385 -0.242 50 20 CBGD O=C(NC[C@@H]1COCCN1)NNc1nc2ccccn2n1 861683939 DSVSODSKEFYWPW-SECBINFHSA-N 291.315 -0.656 50 20 CBGD COc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1O 862451072 HWZOBPLRRCWVIH-QMMMGPOBSA-N 293.279 -0.560 50 20 CBGD COC(=O)N1CCC(=NNC(=O)[C@H]2CCC(=O)N2)CC1 863144666 COAUGADUGAHQIK-SECBINFHSA-N 282.300 -0.401 50 20 CBGD COc1ccc2c(c1)OCC2=NNC(=O)CS(C)(=O)=O 863189879 WEYNKTVXPXMILE-UHFFFAOYSA-N 298.320 -0.048 50 20 CBGD CC1=NO[C@@H](CNC(=O)c2ccc(B(O)O)cc2)C1 863884034 WOXWVDBIIHLERO-LLVKDONJSA-N 262.074 -0.739 50 20 CBGD O=Cc1ccccc1OCC(=O)N1CC[C@H](B(O)O)C1 874970321 UVXUVFWMCIKYHN-NSHDSACASA-N 277.085 -0.047 50 20 CBGD CN1CCCC[C@@H](C(=O)NNc2cnnn2C)C1=O 880121258 BWJDZBMFDORPCA-QMMMGPOBSA-N 266.305 -0.483 50 20 CBGD NC(=O)[C@@H]1CSCCN1S(=O)(=O)CCCCl 882039367 VKFPGZZRYSOGAV-ZETCQYMHSA-N 286.806 -0.152 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1cc(Cl)c[nH]1 919684125 ICVITEGHTOJEMQ-UHFFFAOYSA-N 279.705 -0.526 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1cc(C2CC2)on1 920434275 YEWNHRMBHIHTCH-UHFFFAOYSA-N 292.295 -0.065 50 20 CBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)NCC1CC1 920859054 BIEWXJVSYYFSAW-UHFFFAOYSA-N 299.375 -0.817 50 20 CBGD CC(C)[C@@]1(CO)CCN(CC(=O)NNC(=O)C2CC2)C1 1117626866 UFSJCIQYPGCPBZ-AWEZNQCLSA-N 283.372 -0.116 50 20 CBGD Cn1cc(C(=O)NNc2ncccc2[N+](=O)[O-])nn1 1117637280 YIQYXWWXDQEZDD-UHFFFAOYSA-N 263.217 -0.125 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@H]1CCOC1 1119046140 ZFHDBFYRKNGDLD-SECBINFHSA-N 260.290 -0.777 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1C[C@H]1c1cncn1C 1142346180 AKWQOMHAHQSHMU-NXEZZACHSA-N 295.343 -0.110 50 20 CBGD C[C@@H](C(=O)NNc1ncncc1F)[C@@H]1CCC(=O)N1 1261825116 VTKZLOYFBWVYTD-SVRRBLITSA-N 267.264 -0.027 50 20 CBGD O=C(CCOC[C@H]1CCCO1)N1CC[C@H](B(O)O)C1 1261844441 OMVDGQSZGVATAR-WDEREUQCSA-N 271.122 -0.353 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCn2cncc2C1 1261910846 KXVZIEANQKRACH-NXEZZACHSA-N 252.318 -0.211 50 20 CBGD C#CCN1CCC(C(=O)NNC(=O)Cc2cc[nH]n2)CC1 1318574341 SIYVETGLUAFVBW-UHFFFAOYSA-N 289.339 -0.555 50 20 CBGD CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)N(C)C)C1 1318876719 MQQGWSYGOPNKQR-LLVKDONJSA-N 256.306 -0.453 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cnccc1SC 1320358295 PCUMCXHHYWSDOU-UHFFFAOYSA-N 298.324 -0.464 50 20 CBGD CSCCNC(=S)NNC(=O)CCc1nc[nH]n1 1320521800 CJUIPBXPQKYPPC-UHFFFAOYSA-N 288.402 -0.404 50 20 CBGD COC1CCC(C(=O)NNC(=O)C(=O)NC(C)C)CC1 1320629480 IMCQDTLRQGMWRN-UHFFFAOYSA-N 285.344 -0.136 50 20 CBGD COC(=O)C(=O)NN=C(CS(=O)(=O)N(C)C)C(C)C 1323519807 SNXDKEUQGPMWSD-UHFFFAOYSA-N 293.345 -0.821 50 20 CBGD Cc1nn(C)c(=O)c(C(=O)NNc2ncccn2)c1C 1324370702 ZHUOBXJFRBRGIR-UHFFFAOYSA-N 274.284 -0.056 50 20 CBGD NC(=O)Cn1cc(C(=O)NCC(Cl)Cl)nn1 1324389547 VLKOLOSTRURCGV-UHFFFAOYSA-N 266.088 -0.703 50 20 CBGD N#Cc1ncccc1S(=O)(=O)N1CC[C@H](B(O)O)C1 1329215910 RJXRUXJNOGOYHL-QMMMGPOBSA-N 281.102 -0.809 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H](CO)CCF 1329760175 UUYUHXUTPATHBG-ZETCQYMHSA-N 259.241 -0.926 50 20 CBGD CNC(=O)C[C@@H](C)NC(=O)NNC(=O)c1cccc(F)n1 1329912936 TTZSPGICFBCGTJ-SSDOTTSWSA-N 297.290 -0.311 50 20 CBGD C[C@@H](C(=O)NNc1ncncc1F)S(C)(=O)=O 1330460323 ZOJRANDCXWESCM-YFKPBYRVSA-N 262.266 -0.508 50 20 CBGD Cn1cc(C(=O)NNC(=O)Cc2cccnc2)ccc1=O 1330736107 HDXXFHHIMJIGJR-UHFFFAOYSA-N 286.291 -0.216 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnn2ccncc12 1332467651 DCBIQRRSUZWLGJ-BDAKNGLRSA-N 289.295 -0.085 50 20 CBGD O=C(CC[C@H]1NC(=O)NC1=O)NNc1ccnc(F)c1 1342048117 BZDBQYTVLJLXTN-SSDOTTSWSA-N 281.247 -0.348 50 20 CBGD CC(=O)NNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC(C)C 1347466170 FEAUNBHFVIIKPG-NSHDSACASA-N 295.343 -0.350 50 20 CBGD CC(C)n1ccc(CNC(=O)NNC(=O)C(=O)O)n1 1592138287 UBCMHCDAHPDGEO-UHFFFAOYSA-N 269.261 -0.621 50 20 CBGD COc1cccc(NNC(=O)Cn2cc(C(=O)O)nn2)n1 1599679948 QAPPHHDSEGIPNG-UHFFFAOYSA-N 292.255 -0.477 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@]1(C(=O)O)CCCO1 1605814749 RBLKEQFLDBRWGN-LBPRGKRZSA-N 294.267 -0.710 50 20 CBGD O=C(NNc1cccnn1)c1ccc(-c2nn[nH]n2)nc1 1606861819 HEYNEVAWLPNPBS-UHFFFAOYSA-N 283.255 -0.191 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1cc(C(=O)O)co1 1608331471 TYBSXDXFPDZHBQ-UHFFFAOYSA-N 295.251 -0.639 50 20 CBGD O=C(CCNC(=O)c1ccco1)NNC(=O)[C@@H]1CCCO1 32257787 DGVVEJBHJXFRCP-JTQLQIEISA-N 295.295 -0.274 50 20 CBGD COC(=O)NCC(=O)NNC(=O)c1ccc(Cl)nc1 48937242 YLUSUEAMOUMXHT-UHFFFAOYSA-N 286.675 -0.148 50 20 CBGD CNC(=O)NNC(=O)CSc1nnnn1C1CCCC1 48949930 LNUDULQAYUBQFQ-UHFFFAOYSA-N 299.360 -0.160 50 20 CBGD CCN1CCN(CC(=O)NNc2ccccc2)C(=O)C1=O 111555567 VYVURAYQWYIQOK-UHFFFAOYSA-N 290.323 -0.180 50 20 CBGD C[C@@H]1C[C@H]1C(=O)NNC(=O)CNC(=O)c1ccco1 156891066 FOKPIEWOUCQUFU-HTQZYQBOSA-N 265.269 -0.187 50 20 CBGD CN1CC[C@H](NC(=O)NNC(=O)C(C)(C)C)C1=O 172378571 QLNLKTSFBLXGRE-ZETCQYMHSA-N 256.306 -0.406 50 20 CBGD O=C(CN1CCCCC1=O)NNc1ncnc2nc[nH]c12 266454858 KIYALAQCWSOAAM-UHFFFAOYSA-N 289.299 -0.192 50 20 CBGD CCS(=O)(=O)NCC(=O)NNc1ccc(OC)cn1 275679465 WVBISAMBKRDSLO-UHFFFAOYSA-N 288.329 -0.527 50 20 CBGD COC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)Cc1cccnc1 285676137 QRCWZXWBMBURTP-MNOVXSKESA-N 291.307 -0.029 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)COCC1CC1 298816181 QRDJXCQEIRQZQT-UHFFFAOYSA-N 257.290 -0.915 50 20 CBGD O=C(NNC(=O)c1ccccc1O)C(=O)N1CCCC1 299580126 RADMXEBYQFYJIR-UHFFFAOYSA-N 277.280 -0.224 50 20 CBGD CN1C(=O)C[C@@H](NC(=O)/C(C#N)=C\c2cnn(C)c2)C1=O 491005640 BIYAEJSFKPBCAT-KSXVILFYSA-N 287.279 -0.799 50 20 CBGD CON=CC(=O)NNC(=O)CNC(=O)OC(C)(C)C 496303298 GPXADKWGZKRCTA-UHFFFAOYSA-N 274.277 -0.709 50 20 CBGD C[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)c1nncn1C 584930831 SGXBUFDVWKIFKL-SSDOTTSWSA-N 292.079 -0.875 50 20 CBGD CC(C)[C@@H](O)C1(CNC(=O)c2ccc(B(O)O)cc2)CC1 584971754 ZLLZGPLRYQUGFA-CYBMUJFWSA-N 291.156 -0.107 50 20 CBGD C[C@H]1C[C@H](NC(=O)c2ccc(B(O)O)cc2)CS1 585002191 PURNULSDBJRYOE-KWQFWETISA-N 265.143 -0.010 50 20 CBGD OB(O)c1ccc(CNCCCCN2CCOCC2)o1 585015556 FQKZFLFSFJOMHL-UHFFFAOYSA-N 282.149 -0.839 50 20 CBGD Cn1cc(CCCNCc2ccccc2B(O)O)cn1 585021291 SCGHCHJGZIUWLI-UHFFFAOYSA-N 273.145 -0.178 50 20 CBGD CO[C@H]1C[C@@H](NCc2ccc(B(O)O)o2)C1(C)C 585026354 MMBBDHKOMFLFMC-ZJUUUORDSA-N 253.107 -0.138 50 20 CBGD CC(C)(CCNCc1ccccc1B(O)O)S(C)(=O)=O 585046307 POQRPAGUFIGABA-UHFFFAOYSA-N 299.201 -0.331 50 20 CBGD O=S(=O)(NCB(O)O)c1c(Cl)nc2ccccn12 585054579 NLCODMPNBQVREU-UHFFFAOYSA-N 289.509 -0.722 50 20 CBGD CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NCB(O)O 585055119 XWQUZVDQCWXDJN-NSHDSACASA-N 296.107 -0.292 50 20 CBGD Cc1cc(C(=O)NCB(O)O)ccc1-n1cncn1 585059886 FFIIEHIJJDQREU-UHFFFAOYSA-N 260.062 -0.682 50 20 CBGD Cc1c(CC(=O)NCB(O)O)cccc1[N+](=O)[O-] 585062418 HLVVQNNLBKPTJL-UHFFFAOYSA-N 252.035 -0.426 50 20 CBGD C=CCOCC(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 732262024 QSXANOTYKOJYEW-TXEJJXNPSA-N 299.371 -0.164 50 20 CBGD CCOCCO[C@@H](C)C(=O)NNC(=O)c1cnn(C)c1 735443931 KRTOZVJCDCRIGU-VIFPVBQESA-N 284.316 -0.377 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1CCc2c[nH]nc2C1 743333563 SVBOCJWBDDEIRE-QMMMGPOBSA-N 265.317 -0.776 50 20 CBGD CCOCC(=O)NN[C@H](Cc1ccccc1)C(N)=O 758148737 RCSOXFQKFKUAFB-LLVKDONJSA-N 265.313 -0.260 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCNC(=O)C[C@@H]1C 761058301 WFYQRHDGCHBXLV-QWRGUYRKSA-N 298.387 -0.221 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)NCCc1cccs1 761146799 ICNGLNSFYUTXNV-UHFFFAOYSA-N 299.356 -0.450 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1[C@H]2CCCO[C@H]21 780918143 QZRCVUCDAOQYAW-OPRDCNLKSA-N 269.301 -0.516 50 20 CBGD NC(=O)c1cccc(C(=O)NNC(=O)c2ccc[nH]2)n1 781591565 KNVTXAXZLWUSBY-UHFFFAOYSA-N 273.252 -0.417 50 20 CBGD CN1CCN(C(=O)NNC(=O)CC2CCOCC2)CC1 788166700 QSOBKIYRVFFGKA-UHFFFAOYSA-N 284.360 -0.209 50 20 CBGD CCCN1CCCN([C@H](C)C(=O)NNC(=O)CC)CC1=O 788280724 YQLLCNHFMSTROW-LLVKDONJSA-N 298.387 -0.123 50 20 CBGD CO[C@@H](C)CS(=O)(=O)NNC(=O)C1CCC1 800836468 WRQCTAPVYOBFCH-ZETCQYMHSA-N 250.320 -0.228 50 20 CBGD CO[C@H](C(=O)NNC(=O)N1CCN(C)CC1)C1CC1 807382021 UDHLAXIQQWHELN-JTQLQIEISA-N 270.333 -0.600 50 20 CBGD CCN1CC[C@@H](NC(=O)NNc2ncncc2F)C1=O 814329853 BSYCRCFZDPUFFJ-MRVPVSSYSA-N 282.279 -0.137 50 20 CBGD COCCN(C)NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 816561871 OTAIWCSUYQDTEG-VIFPVBQESA-N 281.316 -0.628 50 20 CBGD CC(C)C1(C(=O)NNC(=O)c2ccnnc2)COC1 823147948 INTRTOXXNMZSER-UHFFFAOYSA-N 264.285 -0.090 50 20 CBGD CN(NC(=O)CCc1ccc(-c2nn[nH]n2)cc1)C(N)=O 826004288 QSFICHMIPVTOTI-UHFFFAOYSA-N 289.299 -0.159 50 20 CBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)Cc1ccncc1 827304002 NEJOHPJSXZSDSE-QMMMGPOBSA-N 265.269 -0.118 50 20 CBGD COC(=O)C1(NCC(=O)NNC(=O)C(C)C)CCCC1 828505046 BVIUDKHLADAQOO-UHFFFAOYSA-N 285.344 -0.135 50 20 CBGD CCO[C@@H]1C[C@H]1C(=O)NNC(=O)C1CCOCC1 828831086 ZQQXDBLDUXCFQK-NXEZZACHSA-N 256.302 -0.015 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)C1(CN)CCC1 843389469 XDSOGPXRVPYGQL-UHFFFAOYSA-N 254.334 -0.643 50 20 CBGD CC(C)(C)C(=O)NNC(=O)[C@@H]1CCc2nnnn2CC1 845212651 JXKASJNUKZXXAV-MRVPVSSYSA-N 280.332 -0.181 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNc1ccncn1 857520648 HEJYPNYGLXEGDC-VIFPVBQESA-N 251.290 -0.360 50 20 CBGD CC[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C[C@@H](C)O1 858695139 DGPYZGNTSYYORV-OPRDCNLKSA-N 298.343 -0.495 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cn1nccc1C 860063529 XXQNGMVSJKKAIK-SECBINFHSA-N 282.300 -0.319 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(O)ncn1 862094958 FUVCOFJKEZPFHE-BQBZGAKWSA-N 266.257 -0.632 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccsc2)N1 862448647 FTTMSXHJNVJSTN-SSDOTTSWSA-N 253.283 -0.212 50 20 CBGD CC(C)CCO[C@@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862452675 GVERFIQKYJNCDM-UWVGGRQHSA-N 285.344 -0.136 50 20 CBGD CCOC(=O)[C@H](CC(=O)NNC(=O)c1cn[nH]c1)C(C)=O 862470902 XWDADKQJJGQFGM-SECBINFHSA-N 296.283 -0.671 50 20 CBGD CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1cn[nH]c1 862475014 WBSQLRSAHKXGHP-SNVBAGLBSA-N 279.300 -0.428 50 20 CBGD C[C@@H](NNC(=O)c1cc(B(O)O)ccc1F)C(F)(F)F 863887613 PJLHAMFCIZCRAU-RXMQYKEDSA-N 294.013 -0.309 50 20 CBGD COC(=O)N(C)NS(=O)(=O)CCCN(C)C 867256476 WIBSNNWAYRLBLJ-UHFFFAOYSA-N 253.324 -0.529 50 20 CBGD COCCOCC(=O)NNC(=O)C1(c2cccnc2)CC1 869905689 FBRCGLWCPCUHIO-UHFFFAOYSA-N 293.323 -0.076 50 20 CBGD C#CCSCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 887762141 OGTHTSHJJBQSEG-SNVBAGLBSA-N 290.410 -0.155 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1cnn2c1OCCC2 891257466 POMFRJCFHUJRRI-JTQLQIEISA-N 294.311 -0.004 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CN1Cc2ccccc2C1=O 910165205 HRUVYTKTCKIGHK-SNVBAGLBSA-N 277.324 -0.014 50 20 CBGD O=C(NNC(=O)c1ccc2nccn2c1)C(=O)NC1CC1 1116021723 WQGUUZPFFAPZBP-UHFFFAOYSA-N 287.279 -0.626 50 20 CBGD O=C(NNC(=O)C1(O)CCSCC1)C1CCOCC1 1119682745 SSFNOAKVVHGLKX-UHFFFAOYSA-N 288.369 -0.182 50 20 CBGD Cc1nn[nH]c1C(=O)NNC(=O)[C@H]1CCO[C@H]1C 1261500814 HLXHYUSANJNYFY-BQBZGAKWSA-N 253.262 -0.701 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccc(OC)c(F)c1 1318941257 HSRNSGJBPINQGK-UHFFFAOYSA-N 299.258 -0.162 50 20 CBGD CSCCNC(=S)NNC(=O)c1cncnc1 1320304406 ZXPUBRIYVYFDQG-UHFFFAOYSA-N 271.371 -0.052 50 20 CBGD CNC(=O)C1(C(=O)NNc2nccn(C)c2=O)CCC1 1323508315 LHUXIHBKZWDNEB-UHFFFAOYSA-N 279.300 -0.860 50 20 CBGD Cc1nnsc1C=NNC(=O)C(=O)NC1CC1 1324164507 YTQUTLYMKRRFML-UHFFFAOYSA-N 253.287 -0.425 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)NC(C)=O 1327114897 WTTLPSYYAVLGBO-BQBZGAKWSA-N 273.289 -1.000 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cncs2)N1 1330107972 LBCFXLJADPTFPA-RXMQYKEDSA-N 254.271 -0.817 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2cccnc2)N1 1331496528 JSQMGNODKBQSOI-VIFPVBQESA-N 277.284 -0.809 50 20 CBGD O=C(NNC(=O)[C@@]1(C(=O)O)CCCO1)c1ccc[nH]1 1574578403 GTUSHOGQGKPONK-LLVKDONJSA-N 267.241 -0.591 50 20 CBGD O=C(NNC(=O)[C@@H]1CCN1)c1ccnc(Cl)c1 1580736629 ZXXMYGWKQISTOY-ZETCQYMHSA-N 254.677 -0.142 50 20 CBGD C=CCNC(=S)NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588663334 JDAQAZUIMXPNSE-UHFFFAOYSA-N 292.328 -0.510 50 20 CBGD C[C@@H](NC(=S)NNC(=O)COCC(=O)O)C1CC1 1593190854 XIPUBHSMVWPPBU-ZCFIWIBFSA-N 275.330 -0.619 50 20 CBGD CC[C@H](C)C[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)O 1594947146 ZZNNWIVHCAEUMU-CABZTGNLSA-N 293.128 -0.014 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@H](CCC(=O)OC)C(=O)O 1596864333 SCVZEJPYGZDXRI-FCZSHJHJSA-N 284.268 -0.047 50 20 CBGD CCCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)n1 1604222555 YZPXWBJHVJCVJZ-UHFFFAOYSA-N 290.287 -0.384 50 20 CBGD Cc1nn(C)cc1[C@@H](C)NC(=O)NNC(=O)C(=O)O 1608004392 HLCYYJMTYAPZEK-RXMQYKEDSA-N 269.261 -0.795 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)NC[C@H](F)C(=O)O)cc1 1608200862 QVWVTYVXTYAHEI-VIFPVBQESA-N 294.242 -0.075 50 20 CBGD O=C(O)c1coc(C=NNC(=O)[C@@H]2COCCO2)c1 1608987160 GEHGGTVESVZFMG-VIFPVBQESA-N 268.225 -0.157 50 20 CBGD O=C1CN(CCI)CCN1 190792852 IXWGHKRAZSZDKK-UHFFFAOYSA-N 254.071 -0.147 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CCn2ccnn2)n1 279826245 QAXZRTPQYXRASY-UHFFFAOYSA-N 274.284 -0.167 50 20 CBGD COC(=O)N(C)NC(=O)c1c([N+](=O)[O-])c(C)nn1C 286249730 GXZCRKQAJXNLRW-UHFFFAOYSA-N 271.233 -0.020 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)CN2CSCC2=O)O1 294161218 ICVQXRWKVCVZTC-YUMQZZPRSA-N 287.341 -0.766 50 20 CBGD C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1cccc(B(O)O)c1 404965649 IFOWYWNUSSENRO-SECBINFHSA-N 292.144 -0.144 50 20 CBGD COCCCOCCC(=O)Nc1cccc(B(O)O)c1 584911190 GXOYLORKCIINER-UHFFFAOYSA-N 281.117 -0.252 50 20 CBGD CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1cccc(B(O)O)c1 584937837 CRUFDHKOWIPBEC-UWVGGRQHSA-N 292.144 -0.601 50 20 CBGD C[C@@H](CO)CCCNCc1ccc(B(O)O)cc1 585035801 YCQDRVUCQCTHNY-LLVKDONJSA-N 251.135 -0.135 50 20 CBGD COC[C@](C)(O)CCNCc1ccc(B(O)O)cc1F 585043212 JCOHNEBVDMDAKE-CYBMUJFWSA-N 285.124 -0.617 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc(C(F)(F)F)cc1 585053869 DYSZPCPRPMENIL-UHFFFAOYSA-N 283.036 -0.004 50 20 CBGD COc1ccc(S(=O)(=O)NCB(O)O)c(C)c1F 585059556 RQQUOXDFKYYLFU-UHFFFAOYSA-N 277.082 -0.567 50 20 CBGD CC(C)[C@H](C(=O)N1CC[C@H](B(O)O)C1)N1CCCC1=O 585072877 SOSLNNGQNQWZAJ-CMPLNLGQSA-N 282.149 -0.291 50 20 CBGD NS(=O)(=O)C[C@@H]1CCCCN1S(=O)(=O)CCl 694902813 WVLCBAPAIQRROQ-ZETCQYMHSA-N 290.794 -0.345 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H](C)N1C(=O)CCC1=O 727731468 HNTQWZQDOZLCHH-MRVPVSSYSA-N 284.316 -0.346 50 20 CBGD CN(C)CC(=O)NNC(=O)C1(C(=O)NC2CC2)CCC1 733360772 RXRKJJZDAXSJAM-UHFFFAOYSA-N 282.344 -0.856 50 20 CBGD CN(C)CCN1C[C@@H](C(=O)NNC(=O)C2CCC2)CC1=O 746248699 WUNZLYQSGKGHHG-NSHDSACASA-N 296.371 -0.656 50 20 CBGD CCOCCCNC(=O)NNC(=O)C(=O)N1CCCC1 748447015 PBBGIJXMWYQONU-UHFFFAOYSA-N 286.332 -0.634 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](CO)C1 748809993 OTISVXMLTGUDSD-UWVGGRQHSA-N 257.334 -0.363 50 20 CBGD CCn1ccnc1C=NNC(=O)C(=O)N1CCCC1 755680591 PJQQTLQGUCAHIV-UHFFFAOYSA-N 263.301 -0.025 50 20 CBGD O=C(CO)NNC(=O)Nc1cccnc1N1CCOCC1 756184518 YVDFIVSJKRASDZ-UHFFFAOYSA-N 295.299 -0.937 50 20 CBGD O=C(CO)NNC(=O)Nc1cccnc1OCC(F)F 757820478 ZOPJCCJCDFDXIB-UHFFFAOYSA-N 290.226 -0.130 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)[C@H]1CCNC1=O 759423429 JSTSJXMXEJZKOH-ZJUUUORDSA-N 284.360 -0.611 50 20 CBGD CC(=O)CCCC(=O)NNC(=O)CNC(=O)c1ccco1 772696090 VQXGFMDRIPNPIS-UHFFFAOYSA-N 295.295 -0.084 50 20 CBGD CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)NNC(=O)C(C)(C)C 794578393 YZERNCGWPTZJPO-NXEZZACHSA-N 298.387 -0.316 50 20 CBGD COc1ccnc(NNC(=O)c2cc([N+](=O)[O-])n[nH]2)n1 795166711 SYCNFYBMDWMDGB-UHFFFAOYSA-N 279.216 -0.127 50 20 CBGD Cc1cnn(C)c1S(=O)(=O)NNC(=O)NCC1CC1 795300997 CQGMXTPWMCACGI-UHFFFAOYSA-N 287.345 -0.369 50 20 CBGD O=C(COC(=O)c1cnn[nH]1)NNC(=O)c1cccs1 805609110 NDGAHHYAGUYQPH-UHFFFAOYSA-N 295.280 -0.516 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O 809749404 GWMXIHSSRIHLME-VHSXEESVSA-N 278.264 -0.570 50 20 CBGD CC(=NNC(N)=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 811628986 PYDKRXIQWOCSSO-UHFFFAOYSA-N 261.241 -0.391 50 20 CBGD O=C(Cc1ccccc1)NCCC(=O)NNc1nc[nH]n1 816633419 BERQPMZNZSUUMT-UHFFFAOYSA-N 288.311 -0.003 50 20 CBGD C=CCN1C(=O)C(=O)N(CC(=O)NN(C)C2CC2)C1=O 819645966 HEDFWODPCHPUTE-UHFFFAOYSA-N 280.284 -0.911 50 20 CBGD CC1=C(C(=O)NN(C)[C@@H](C)CO)[C@@H](C)n2ncnc2N1C 823934286 FERAIIYXFLZYGQ-WCBMZHEXSA-N 294.359 -0.093 50 20 CBGD Cc1nn2cccnc2c1C(=O)NN(C)[C@@H](C)CO 823971733 YTTWQZWCFPAZBE-QMMMGPOBSA-N 263.301 -0.005 50 20 CBGD C[C@H](CO)N(C)NC(=O)CCOC[C@@H]1CCCO1 823971787 ZJHCRMFWEGMAFL-MNOVXSKESA-N 260.334 -0.084 50 20 CBGD COC(=O)c1ccc(C(=O)NN(C)[C@@H](C)CO)nc1 823976470 DOWDLDNPKGKYLI-QMMMGPOBSA-N 267.285 -0.174 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCO[C@@H]2C[C@H]21 827268827 SNKIFWTWXXHYPY-AXTSPUMRSA-N 269.301 -0.375 50 20 CBGD COCCCOCCC(=O)NNC(=O)c1cnn(C)c1 828087183 FMCBNBAIJKFKBU-UHFFFAOYSA-N 284.316 -0.376 50 20 CBGD O=C(NNS(=O)(=O)C[C@@H]1CCCO1)[C@@H]1CCCCO1 830034318 PEOMFBQMNRTZGK-UWVGGRQHSA-N 292.357 -0.315 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)NC1CN(C(=O)O)C1 831291507 FFFISVPCXKXLGK-UHFFFAOYSA-N 284.194 -0.369 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NN=C1CCS(=O)(=O)C1 842553701 FZXGZOALXIECLB-APPZFPTMSA-N 260.315 -0.298 50 20 CBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)CNc1ccccc1 856772915 KHHSWDKNSKVBCI-QWRGUYRKSA-N 290.323 -0.243 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H](O)c2cnn(C)c2)n1 857459382 LCGISMMRXSCURQ-JTQLQIEISA-N 292.299 -0.296 50 20 CBGD CC[C@H](C)N(C)CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858195088 QZMJROHGILXHKI-VHSXEESVSA-N 299.375 -0.674 50 20 CBGD O=C(NCCCOC(F)F)NNC(=O)c1cn[nH]c1 858430802 GRHZXVPJMZQVQN-UHFFFAOYSA-N 277.231 -0.017 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CC23CCCC3)N1 862454755 AELIHAVQBMKKMU-DTWKUNHWSA-N 265.313 -0.007 50 20 CBGD CN1CCCC(=NNC(=O)[C@H]2CCC(=O)N2)CC1 863147982 QFKSMYROHCLDEB-SNVBAGLBSA-N 252.318 -0.147 50 20 CBGD CCOC(=O)C[C@@H](C)CNC(=O)c1cccc(B(O)O)c1 863877998 MGWNYWPLQRTFGD-SNVBAGLBSA-N 293.128 -0.315 50 20 CBGD O=C(NCC(=O)C1CCCC1)c1cc(B(O)O)ccc1F 863887902 ZMMJYPJORACLGW-UHFFFAOYSA-N 293.103 -0.005 50 20 CBGD N[C@H]1C[C@@H](CNS(=O)(=O)CBr)C1 866805576 NLQASZLNPZXJLQ-OLQVQODUSA-N 257.153 -0.005 50 20 CBGD C[C@H](CBr)CN1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 878973200 OJLUATCJIIYPOI-BWZBUEFSSA-N 292.177 -0.464 50 20 CBGD O=C(NNc1cccnn1)C1CN([C@@H]2CCOC2)C1 896455351 OSAFJPRMEBDPFN-SNVBAGLBSA-N 263.301 -0.360 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@H]1CCCC(=O)N1C 906442580 JIUADNPAXXHOCA-MRVPVSSYSA-N 256.306 -0.264 50 20 CBGD CCCCNC(=S)NNC(=O)[C@H]1CCC(=O)N1 913437914 AHTIBRLORBQUDX-SSDOTTSWSA-N 258.347 -0.440 50 20 CBGD CC(C)N1C(=O)c2ccc(C(=O)NN)cc2S1(=O)=O 917610466 QDEGQPQPAWUZFP-UHFFFAOYSA-N 283.309 -0.157 50 20 CBGD CCOC(=O)[C@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 932647575 ZESLCJPMSJOTDX-JTQLQIEISA-N 283.328 -0.571 50 20 CBGD CCc1nc(C)c(C(=O)NNC(=O)C(=O)NC(C)C)o1 1117733347 IFLYWBGYPSSNBB-UHFFFAOYSA-N 282.300 -0.169 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCCN1C(N)=O 1118279869 NRDRSLPUMVIUEK-HLTSFMKQSA-N 284.316 -0.898 50 20 CBGD Cc1[nH]ccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1118884784 QEHBKVNRJJQOAV-MRVPVSSYSA-N 250.258 -0.637 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cc[n+]([O-])cc1 1318450271 MGHFJWYVHKUOQM-UHFFFAOYSA-N 261.241 -0.574 50 20 CBGD COCCOC[C@@H](C)NC(=O)NNC(=O)c1cnn(C)c1 1319030817 ZRYBGEDZHHLUHR-SECBINFHSA-N 299.331 -0.584 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCO1)C(=O)Nc1ccccn1 1319610848 ZVJRTDRFYXEAJY-QMMMGPOBSA-N 278.268 -0.654 50 20 CBGD C[C@H](C(=O)NNc1ncc(F)cn1)n1cncn1 1319899222 FJROUHMQBXSUTH-ZCFIWIBFSA-N 251.225 -0.089 50 20 CBGD CCc1nc(C(=O)NNc2ccc(C(N)=O)nn2)co1 1320546173 VETFAPSXSMPQCS-UHFFFAOYSA-N 276.256 -0.117 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H]1C[C@H]2CC[C@H]1C2 1321918457 BYGPGKRBEXJDOF-XHNCKOQMSA-N 269.301 -0.074 50 20 CBGD Cc1nnc(NNC(=O)CN(C)C(=O)C2CC2)nc1O 1322808424 XWPGVLGZXVFLNF-UHFFFAOYSA-N 280.288 -0.803 50 20 CBGD Cc1nnc(NNC(=O)COCc2ccnn2C)nc1O 1323497031 GYBHRDPTRSGMDQ-UHFFFAOYSA-N 293.287 -0.721 50 20 CBGD C=CCNC(=S)NNC(=O)c1ccc(=O)n(CC)n1 1325107791 MLRHGBIHPHKFPJ-UHFFFAOYSA-N 281.341 -0.442 50 20 CBGD CCc1csc(NC(=O)C(=O)NNC(=O)COC)n1 1327303456 NIXJVZPEMBCPEY-UHFFFAOYSA-N 286.313 -0.562 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cnn3ccncc23)n[nH]1 1329083297 ZXRVFDBJWKQDPA-UHFFFAOYSA-N 285.267 -0.164 50 20 CBGD O=C(CCl)NCC1(OCCO)CCOCC1 1330544672 TXDBRDPEIARBPZ-UHFFFAOYSA-N 251.710 -0.101 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H](OC)C(C)C 1339816641 CBXIQVWMGMYBJE-ZETCQYMHSA-N 261.278 -0.839 50 20 CBGD Cn1nncc1NNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 1351217366 QQLXQVUQZAFRAN-JGVFFNPUSA-N 266.305 -0.450 50 20 CBGD COC(=O)N(C)NC(=O)N[C@H](C)CN1CCN(C)CC1 1352517917 RABILJPWHWTPHB-SNVBAGLBSA-N 287.364 -0.465 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H]1COCCN1CC 1353549873 QFKOTDDQHYQUBC-SNVBAGLBSA-N 272.349 -0.162 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNc1nc(C)cc(C)n1 1574106614 WORZHUZZQWWYEG-SSDOTTSWSA-N 254.246 -0.364 50 20 CBGD CCN(CC)C(=O)CCC(=O)NNC(=O)CCCN 1577675153 VYHOOMNWVIVILY-UHFFFAOYSA-N 272.349 -0.479 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@]23C[C@H]2CCCN3)ccc1=O 1579953085 HMDYTNPSLDPRBK-YGRLFVJLSA-N 290.323 -0.712 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C12CC(C(=O)O)(C1)C2 1594643864 YYQLWLPIXKNOIN-JFGCWXGISA-N 282.296 -0.186 50 20 CBGD O=C(O)CC1(NC(=O)c2ccc(B(O)O)cc2)CC1 1601932287 PZYIZSOAZALOQI-UHFFFAOYSA-N 263.058 -0.897 50 20 CBGD CC(C)[C@H](NC(=O)NNC(=O)C(=O)O)c1cnn(C)c1 1603733913 XRYYSJUDCDPYJL-QMMMGPOBSA-N 283.288 -0.468 50 20 CBGD CN(C)c1ccc2c(c1)N(C)C(=O)C2=NNC(=O)C(=O)O 1606060100 FNSRYGFWLKEBKH-UHFFFAOYSA-N 290.279 -0.366 50 20 CBGD O=C(NCc1cc(C2CC2)no1)NNC(=O)C(=O)O 1608462927 YKPWTWUTRLSQIT-UHFFFAOYSA-N 268.229 -0.533 50 20 CBGD Cc1occc1C(=O)NNC(=O)CN1CCCC1=O 48708167 PAGPGHOLRFRQFS-UHFFFAOYSA-N 265.269 -0.029 50 20 CBGD Cc1cc(F)ccc1-n1cc(C(=O)NNC(=O)CO)nn1 182763542 HVBHIDZGEVGDJI-UHFFFAOYSA-N 293.258 -0.532 50 20 CBGD CO[C@@H](C)CS(=O)(=O)NNC(=O)c1ccccc1O 278723145 UPDJRXMYYDPFBN-QMMMGPOBSA-N 288.325 -0.009 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H]1CCCN(C(C)=O)C1 286370557 NNCCHPDOCUACGU-SECBINFHSA-N 257.290 -0.026 50 20 CBGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)NC1CC1 362862961 TVMCWLLHBRUMKY-SSDOTTSWSA-N 292.299 -0.745 50 20 CBGD COC(=O)NNC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O 376955716 OXFDYYXNBNCVDH-SSDOTTSWSA-N 298.299 -0.373 50 20 CBGD COC(=O)NNC(=O)CS(=O)(=O)C(C)(C)C 495326029 FEGSIPPPYGJVIF-UHFFFAOYSA-N 252.292 -0.413 50 20 CBGD CO[C@@H](C)CCNC(=O)c1cccc(B(O)O)c1 584939372 HNNJWOHBACPYOQ-VIFPVBQESA-N 251.091 -0.479 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)CC[C@H]1O 584973048 DAVQHEFYEBJXFG-JOYOIKCWSA-N 263.102 -0.791 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H]1c1ncon1 584992289 NRBXAGJQVIQOFO-LLVKDONJSA-N 287.084 -0.273 50 20 CBGD OB(O)c1ccc(CNCCn2ccnc2)c(F)c1 585014476 SJKZZGKESGZWFQ-UHFFFAOYSA-N 263.081 -0.508 50 20 CBGD Cn1ncc2c1CCC[C@H]2NCc1ccc(B(O)O)o1 585017646 GNDZPUMFOFMFOI-LLVKDONJSA-N 275.117 -0.140 50 20 CBGD OC[C@@H](CNCc1ccc(B(O)O)o1)CC1CCOCC1 585038929 MXENUEFDMQJLEK-GFCCVEGCSA-N 297.160 -0.526 50 20 CBGD O=S(=O)(NCB(O)O)c1c(Cl)nc2sccn12 585055620 FMOCRUMFIIOYAC-UHFFFAOYSA-N 295.538 -0.661 50 20 CBGD O=C(Nc1ccccc1)C(=O)N1CC[C@H](B(O)O)C1 585077858 ULWMOSFNTHMVHJ-VIFPVBQESA-N 262.074 -0.300 50 20 CBGD C[C@H]1C[C@H](N)CN1CC(=O)NNC(=O)c1ccccc1 702659778 MMNIDCVAQXQWEB-JQWIXIFHSA-N 276.340 -0.131 50 20 CBGD Cn1nnc2cc(C=NNC(=O)C(=O)NC3CC3)ccc21 737427179 JRAXDTMVABLLSO-UHFFFAOYSA-N 286.295 -0.303 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C[C@H]1SC(=N)NC1=O 742647292 JVTBCKARPDFWNV-ZCFIWIBFSA-N 296.312 -0.964 50 20 CBGD C=CCn1c(O)nnc1SCC(=O)NNC(=O)C1CC1 759716833 GNBPZFBGDFDYQK-UHFFFAOYSA-N 297.340 -0.181 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCNC(=O)C2)n1 760297546 ZUAAAVXAFNYJKR-SNVBAGLBSA-N 293.327 -0.826 50 20 CBGD COc1nccnc1NNC(=O)CN1CCN(C)CC1 764461301 XYGDJDIICPCJPW-UHFFFAOYSA-N 280.332 -0.824 50 20 CBGD CC(C)(O)C(=O)NNC(=O)C1(S(C)(=O)=O)CCCC1 768241308 LUXANGXVJJFREH-UHFFFAOYSA-N 292.357 -0.738 50 20 CBGD CCOCCO[C@H](C)C(=O)NNC(=O)C(C)(C)O 768255500 KWPZLTGLAKMVTK-MRVPVSSYSA-N 262.306 -0.654 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cccc(OCC(N)=O)c1 780709197 CTJXDERPEQSBJA-UHFFFAOYSA-N 294.311 -0.143 50 20 CBGD CC[C@](C)(C#N)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 806788753 XODOOWRRVGUVHR-GMSGAONNSA-N 290.345 -0.989 50 20 CBGD CCOCC(=O)NNC(=O)NCCC1(O)CCC1 807266267 VRXRSRWLXIDQLH-UHFFFAOYSA-N 259.306 -0.342 50 20 CBGD CC(C)(C)CC(=O)NN=C1C(=O)NC(=O)NC1=O 814221294 WITMYYJMCZUNPN-UHFFFAOYSA-N 254.246 -0.739 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)N2CCOCC2)c[nH]1 814670212 OBISVRZGLZQCEV-UHFFFAOYSA-N 296.283 -0.512 50 20 CBGD CO[C@](C)(C=NNC(=O)[C@H](C)NS(C)(=O)=O)C1CC1 814834953 CGRANDJVPKEAOX-GZMMTYOYSA-N 291.373 -0.159 50 20 CBGD CN(NC(=O)[C@@H](CS(C)(=O)=O)c1ccccc1)C(N)=O 816958163 HEHVZZDMNPEMCM-JTQLQIEISA-N 299.352 -0.144 50 20 CBGD Cn1cnc(C(=O)NNC(=O)CC2CC2)cc1=O 823203826 ZBOMZERSJAHHCA-UHFFFAOYSA-N 250.258 -0.659 50 20 CBGD C[C@@H](CO)N(C)NC(=O)Cn1nnc2c1CCCC2 823921896 DXFQIJQVYBERPQ-VIFPVBQESA-N 267.333 -0.499 50 20 CBGD CO[C@@H](C(=O)NN(C)[C@H](C)CO)c1cnn(C)c1 823929186 VZXBFIZRPKBOAC-PSASIEDQSA-N 256.306 -0.549 50 20 CBGD O=C(NNc1ccnc(F)c1)C1=NN2CCCN=C2N1 831918215 NZLSVQQXVZWJSF-UHFFFAOYSA-N 277.263 -0.358 50 20 CBGD COc1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)nn1C 843661359 ZBTQJIMTHWNOLS-YUMQZZPRSA-N 282.300 -0.385 50 20 CBGD Cc1nn(CC(=O)NN=c2cc[nH]cc2Cl)c(=O)n1C 847740521 QJCXLYGGXFURSB-UHFFFAOYSA-N 296.718 -0.496 50 20 CBGD Cc1cnc2nc(C(=O)NNC(=O)CC3CC3)nn2c1 854667902 RZAGRQHTUJSUAU-UHFFFAOYSA-N 274.284 -0.006 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CC(=O)N(C2CC2)C1 854926525 BHLVZSDGQAFJMZ-ZETCQYMHSA-N 270.358 -0.535 50 20 CBGD CCC(C#N)(CC)C(=O)NNC(=O)C(=O)NC(C)C 858168316 QZSMKBNODOBVII-UHFFFAOYSA-N 268.317 -0.012 50 20 CBGD COC[C@@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 858311317 FBDUYKQYXFOPBA-DTWKUNHWSA-N 284.316 -0.980 50 20 CBGD CCO[C@H](C(=O)NNC(=O)N1CCN(C)CC1)C1CC1 861570805 MMAZHHRMSZWVPO-NSHDSACASA-N 284.360 -0.210 50 20 CBGD CS[C@@H](C)CCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862459996 CSIKHEYMGQCKKJ-YUMQZZPRSA-N 273.358 -0.056 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(F)cn2)N1 862462672 ZLWSBEULQBHIEE-QMMMGPOBSA-N 266.232 -0.740 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@H]32)N1 862463310 ANQKDSCWWMCTRR-HBJVGIJOSA-N 299.330 -0.002 50 20 CBGD Cc1cc(=NNC(=O)[C@H]2CN3CCCN2CC3)cc[nH]1 862514863 ZMZUWWOAWVUYJG-CYBMUJFWSA-N 275.356 -0.355 50 20 CBGD CC(=O)c1cn(CC(=O)NN=c2cc[nH]c(C)c2)nn1 862515592 XFFYDTZOMFKQGN-UHFFFAOYSA-N 274.284 -0.251 50 20 CBGD CC(C)(C)[S@@](=O)CCNC(=O)c1cccc(B(O)O)c1 863873170 ZRHAXEDNEUJQLG-FQEVSTJZSA-N 297.185 -0.357 50 20 CBGD O=C(NOC1CCC1)c1cc(B(O)O)ccc1F 863883873 QBEFYYRGGKPINB-UHFFFAOYSA-N 253.038 -0.281 50 20 CBGD CO[C@H]1C[C@H](NC(=O)c2cc(B(O)O)ccc2F)C1 863889690 FBLDFCSXSPQLOV-KYZUINATSA-N 267.065 -0.587 50 20 CBGD CCOC(=O)[C@H](CC(=O)NN(C)C[C@H](C)O)C(C)=O 910159145 ZWGUWGRMGLRQHB-WCBMZHEXSA-N 274.317 -0.511 50 20 CBGD COCCCNC(=O)NNC(=O)C1=CCOCC1 1116865010 GKFCPOOPFXCLPS-UHFFFAOYSA-N 257.290 -0.300 50 20 CBGD Cn1cc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(O)n1 1117698079 WKVMGWQKNKKPQL-SSDOTTSWSA-N 286.313 -0.990 50 20 CBGD O=C(CCCc1nccs1)NNC(=O)[C@@H]1CCC(=O)N1 1118885039 UFLDTKKIWQERCA-QMMMGPOBSA-N 296.352 -0.108 50 20 CBGD O=C(CCn1cnnn1)NNC(=S)NCC1CCC1 1119591617 QLDHXSTYRPJMLU-UHFFFAOYSA-N 283.361 -0.641 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=O)[C@H]1CCCCO1 1120743576 IQDUSTDZOGJHKP-MRVPVSSYSA-N 273.289 -0.599 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H](C)CS(C)(=O)=O 1261910607 DXECJXYRQODZAM-YUMQZZPRSA-N 252.336 -0.989 50 20 CBGD CC1(C(=O)NNC(=O)C(=O)Nc2ccccn2)CC1 1319665293 GMDGSBKWOGYFPX-UHFFFAOYSA-N 262.269 -0.032 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(C)nn1C 1320724208 BBYAVCXAUOUPEH-UHFFFAOYSA-N 282.304 -0.640 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cc(C(=O)OC)n(C)c1 1321183353 DEXYUQPVTMRATL-UHFFFAOYSA-N 298.255 -0.863 50 20 CBGD Cc1n[nH]cc1S(=O)(=O)NNC(=O)c1ccccn1 1322680342 HYJXWKMWEBMJPY-UHFFFAOYSA-N 281.297 -0.264 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1c[nH]cc(Cl)c1=O 1327129348 HRAVSUPYKATCKM-UHFFFAOYSA-N 295.686 -0.245 50 20 CBGD C=CCC[C@@H](NCc1ccc(B(O)O)cc1)C(=O)O 1332422693 ITZLGYKUVMABIU-GFCCVEGCSA-N 263.102 -0.125 50 20 CBGD C[C@@H](C(=O)NNC(=O)CN1CCCC1=O)n1ccnc1 1333428852 BRRMHYDVPMJIOJ-VIFPVBQESA-N 279.300 -0.786 50 20 CBGD Cn1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)n1 1337974066 JUKURDSNAGURQE-UHFFFAOYSA-N 279.300 -0.304 50 20 CBGD Cc1ncnc(O)c1CCC(=O)NNC(=O)c1cn[nH]c1 1351716797 QLXHFAGDVFFQMU-UHFFFAOYSA-N 290.283 -0.392 50 20 CBGD Cn1nncc1C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1 1549320462 ZZNCQLOKCKQCPS-ONGXEEELSA-N 278.316 -0.872 50 20 CBGD C[C@@H](C(=O)NNc1ncccc1C(=O)O)S(C)(=O)=O 1573362611 FDFGFWSLTJVMIB-LURJTMIESA-N 287.297 -0.344 50 20 CBGD CO[C@@H]1CN[C@@](C)(C(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)C1 1573960963 OMIWWAWOHUAPHC-ZZPVQSCKSA-N 297.355 -0.532 50 20 CBGD CC1(C)CCN[C@@H]1C(=O)NNC(=O)c1cccnn1 1576443004 QICFVQYVSCCWOH-SECBINFHSA-N 263.301 -0.374 50 20 CBGD C[C@H]1Cn2nc(C(=O)NNc3ccncn3)cc2CN1 1576871751 QLEVFCUCKCYSHL-QMMMGPOBSA-N 273.300 -0.078 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1NCc2n[nH]cc21 1576903062 FISRUXSDSKPERW-NYNCVSEMSA-N 279.300 -0.874 50 20 CBGD CCc1ncoc1C(=O)NNC(=O)[C@H]1CCCNC1 1578297793 JBMZKIZMTGHQKT-QMMMGPOBSA-N 266.301 -0.002 50 20 CBGD C[C@@H]1CNC[C@H]1CNC(=O)NNC(=O)c1ccc[nH]1 1579459402 YXUBPHUTXYTPPA-BDAKNGLRSA-N 265.317 -0.186 50 20 CBGD N[C@H](Cc1ccccn1)C(=O)NNC(=O)c1ncccn1 1580409975 RCMTVCPAFZENOA-SNVBAGLBSA-N 286.295 -0.797 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN[C@H]1CCO[C@H]1C(=O)O 1589693376 JTWDEAOOBBBKNN-IONNQARKSA-N 287.316 -0.988 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1CC[C@@H](CCC(=O)O)O1 1598140586 YOXSBAMPMHITCM-JGVFFNPUSA-N 273.289 -0.299 50 20 CBGD COC(=O)NNC(=O)Nc1ccc2c(c1)C(=O)NC2=O 49206352 CBHGBJFTMQSALE-UHFFFAOYSA-N 278.224 -0.037 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)[C@@H]2COCCO2)c1 264042076 RZZCDGCJIONZSE-NSHDSACASA-N 275.264 -0.265 50 20 CBGD CC(=O)NNC(=O)[C@@H](C)Sc1nnnn1C1CC1 272884775 ZTSDYZCWHWXGRD-RXMQYKEDSA-N 270.318 -0.344 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCCCS1 272926961 GRUDZQAHCOESQC-QMMMGPOBSA-N 273.358 -0.056 50 20 CBGD CC[C@@](C)(C#N)C(=O)NNC(=O)N1CCOCC1 285200685 OMCHARFHLBLLIU-NSHDSACASA-N 254.290 -0.001 50 20 CBGD CCOCC(=O)NNC(=O)CNC(=O)c1cccs1 299694463 SKTYURZXAHEEIP-UHFFFAOYSA-N 285.325 -0.338 50 20 CBGD C=CCNC(=S)NNC(=O)CCN1CCOC1=O 494417432 JMRNGACJFJTQFV-UHFFFAOYSA-N 272.330 -0.490 50 20 CBGD CCN(CCCN(C)C)C(=O)c1ccc(B(O)O)cc1 584979873 IVOQQZUZSAEDAF-UHFFFAOYSA-N 278.161 -0.220 50 20 CBGD O=C(NC[C@H]1CC[C@@H](O)C1)c1ccc(B(O)O)c(F)c1 584980137 RLBCURKKGKSMEW-WCBMZHEXSA-N 281.092 -0.604 50 20 CBGD O=C(N[C@@H]1CC[C@@H](F)C1)c1ccc(B(O)O)cc1 584989613 HRQLYUQMBUIXIL-GHMZBOCLSA-N 251.066 -0.013 50 20 CBGD N#C[C@H]1CC[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 584999530 CEPCWNVUKLYPLI-WCBMZHEXSA-N 276.076 -0.072 50 20 CBGD CN1CC[C@@H](N(C)C(=O)c2ccc(B(O)O)c(F)c2)C1 585008293 IVYTULLYODWPJW-SNVBAGLBSA-N 280.108 -0.718 50 20 CBGD OB(O)c1ccc(CNCCCN2CCC(O)CC2)cc1 585018149 HQDGMYNMJVXMGR-UHFFFAOYSA-N 292.188 -0.697 50 20 CBGD CC(=O)NC1CCC(NCc2ccccc2B(O)O)CC1 585020795 JOAWEXFXNZCMBZ-UHFFFAOYSA-N 290.172 -0.097 50 20 CBGD CC(C)(C)C(=O)NCCNCc1ccccc1B(O)O 585026998 MLJJMMDCUIBYDW-UHFFFAOYSA-N 278.161 -0.382 50 20 CBGD CSCC[C@H](CO)NCc1ccc(B(O)O)o1 585029630 IAAGDPMNXQFNQO-MRVPVSSYSA-N 259.136 -0.837 50 20 CBGD Cc1nc(S(=O)(=O)NNC(=O)C2CCC2)cn1C 732047730 BUNNXIBHADXTKD-UHFFFAOYSA-N 272.330 -0.162 50 20 CBGD O=C(CN1CCCC[C@H]1C1OCCO1)NNC(=O)C1CC1 733194855 RNBSHCWMEMWNCC-NSHDSACASA-N 297.355 -0.229 50 20 CBGD O=C(CCC1CC1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 734428380 QBMIICQRAHZNCQ-SECBINFHSA-N 289.357 -0.306 50 20 CBGD CCOCC(=O)NNC(=S)NC[C@H]1CCOC1 749701896 FOMGHGNPXOIZRW-MRVPVSSYSA-N 261.347 -0.445 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccn(C)c1 749855384 LNIXLTFEDQPKKK-MRVPVSSYSA-N 272.330 -0.587 50 20 CBGD CC1(C)C[C@@H]1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 751563299 QZDKABPKPKAUOF-JGVFFNPUSA-N 274.342 -0.385 50 20 CBGD COc1ccc(COCCC(=O)NNC(=O)CO)cc1 753440099 WYSFSWIHPRZWRI-UHFFFAOYSA-N 282.296 -0.258 50 20 CBGD CNC(=O)Cc1ccc(NC(=O)NNC(=O)CO)cc1 755658413 OVQOCWKOWAEHIM-UHFFFAOYSA-N 280.284 -0.880 50 20 CBGD COCC(=O)NNC(=O)Nc1ccn(CCN(C)C)n1 756764309 DPBSAXZJPLMLKI-UHFFFAOYSA-N 284.320 -0.756 50 20 CBGD CCOCC(=O)NNC(=O)Nc1cc(C)cn(C)c1=O 757716517 VKPJXVMUDGRZNH-UHFFFAOYSA-N 282.300 -0.117 50 20 CBGD CCc1cccc(NC(=O)C(=O)NNC(=O)COC)c1 764304235 WVHOYQTZFJCATP-UHFFFAOYSA-N 279.296 -0.019 50 20 CBGD Cc1ccc(F)cc1NC(=O)C(=O)NNC(=O)CO 764428927 NENLTHHGIGGXJU-UHFFFAOYSA-N 269.232 -0.788 50 20 CBGD COc1nccnc1NNC(=O)c1cc(OC)n(C)n1 776227752 LSMNCRQUBMBLOR-UHFFFAOYSA-N 278.272 -0.016 50 20 CBGD Cn1cncc1CC(=O)NNC(=O)c1cccnc1 776317326 DHFPLOWNMVCSMX-UHFFFAOYSA-N 259.269 -0.181 50 20 CBGD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNc1ccccn1 779543391 BTPDRSAJCOBJFA-LDYMZIIASA-N 278.312 -0.200 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@H](C)C#N 781943245 BNKNCOSXSQEXDU-BDAKNGLRSA-N 272.305 -0.472 50 20 CBGD COc1cc2c(cc1OC)C(=NNC(=O)C(N)=O)CC2 794458977 GOEWEQFRRNGFAU-UHFFFAOYSA-N 277.280 -0.044 50 20 CBGD O=C(CN1CCCNC1=O)NNC(=O)NCC(F)(F)F 798314247 CWIFHVFLONCOIP-UHFFFAOYSA-N 297.237 -0.706 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)COC(F)F 803732198 DZPXYRJFDBVPGZ-YFKPBYRVSA-N 268.216 -0.285 50 20 CBGD O=C(CCS(=O)(=O)C1CCCC1)NNc1nc[nH]n1 816632491 KWNPWKKSZJNNGG-UHFFFAOYSA-N 287.345 -0.005 50 20 CBGD Cc1cc(O)cc(=O)n1CC(=O)NN(C)C1CC1 819648344 AGUDCTLBIRWOGQ-UHFFFAOYSA-N 251.286 -0.012 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCC[C@H](n2ccnn2)C1 823468777 KHHYLGLGTVZOCE-NSHDSACASA-N 294.359 -0.282 50 20 CBGD CCN(CCO)NC(=O)C1(C(=O)NC2CC2)CC1 823855731 DOFPTTFYKQPEOT-UHFFFAOYSA-N 255.318 -0.609 50 20 CBGD CCN(CCO)NC(=O)c1cn(-c2cccnc2)nn1 823889116 IXKIBZCPSNNQST-UHFFFAOYSA-N 276.300 -0.379 50 20 CBGD COC[C@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 825547416 LYGJRXAXNKQBSQ-YIZRAAEISA-N 259.306 -0.223 50 20 CBGD C[C@H]1CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)CO1 842528091 OMXHHPAFZMJNKJ-NKWVEPMBSA-N 263.319 -0.795 50 20 CBGD CC(C)(C)C(=O)NNC(=O)[C@H]1CCc2nnnn2CC1 845212652 JXKASJNUKZXXAV-QMMMGPOBSA-N 280.332 -0.181 50 20 CBGD CS(=O)(=O)N1CC[C@H](NC(=O)NNc2ccccn2)C1 845415583 WGKWUOOVAFTWRM-VIFPVBQESA-N 299.356 -0.258 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1CCCS1(=O)=O 848044837 OZYVOWJQEPQEFR-VIFPVBQESA-N 298.324 -0.767 50 20 CBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)[C@H]1CCCCO1 848158820 ZUAMAQVTPMBCET-IWSPIJDZSA-N 269.301 -0.786 50 20 CBGD CC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cc[nH]n2)C1 855362824 WEJNXEFCNOZQAK-SECBINFHSA-N 279.300 -0.571 50 20 CBGD CON(C)C(=O)[C@@H](C)NC(=O)NNC(=O)C(C)(C)C 858207276 HACQQJIAKIGBLP-SSDOTTSWSA-N 274.321 -0.229 50 20 CBGD O=C(NC[C@H]1COCCN1)NNC(=O)c1ccccc1F 861679637 BMTHEBAWWUKHQV-VIFPVBQESA-N 296.302 -0.242 50 20 CBGD O=C(NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1cccnn1 862047348 FCYQHYPVHOPENB-MRVPVSSYSA-N 289.295 -0.752 50 20 CBGD CCO/C=C(/C#N)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 871528412 KRXIIUNDBQOGCU-UVDDSTKKSA-N 277.280 -0.496 50 20 CBGD CCN(C(=O)c1ccc(B(O)O)cc1)C(C)(C)C(=O)OC 886432787 JSAJVVNWLAWJEC-UHFFFAOYSA-N 293.128 -0.220 50 20 CBGD C[C@@]1(C(=O)NCCNS(C)(=O)=O)C[C@@H]1Br 905841081 XDKZKOSRLBQVLP-POYBYMJQSA-N 299.190 -0.175 50 20 CBGD COCCCNC(=O)NNC(=O)Cn1cc(C)cn1 920862597 BHSJYLMFRFAKFQ-UHFFFAOYSA-N 269.305 -0.442 50 20 CBGD O=C(CN1CCC(F)(F)[C@@H](CO)C1)NNC(=O)C1CC1 1117696566 JLDQBQKZGVQVDE-SECBINFHSA-N 291.298 -0.507 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H](C)n1cnc(C#N)n1 1118770086 IIEZFIMPQQHZJX-LURJTMIESA-N 267.318 -0.822 50 20 CBGD O=C(NNC(=O)C1CCOCC1)N[C@H]1CCOC1 1122395298 PSXUUFCCWMGORB-VIFPVBQESA-N 257.290 -0.468 50 20 CBGD C[C@H](C(=O)NNC(=O)NC1CC1)N1C(=O)CCC1=O 1251551624 DDXZNPKVFYHXSJ-ZCFIWIBFSA-N 268.273 -0.983 50 20 CBGD N#Cc1ccc(NNC(=O)c2cn(CC(N)=O)nn2)cc1 1253411871 QYXUCJUJJHRONN-UHFFFAOYSA-N 285.267 -0.608 50 20 CBGD O=C(NC[C@H]1CCOC1)NNC(=O)c1ccc[nH]1 1317870778 FHWMOKDRYAMPEG-MRVPVSSYSA-N 252.274 -0.005 50 20 CBGD CS(=O)(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1318265080 PCEAMGCECIHFLK-UHFFFAOYSA-N 299.356 -0.727 50 20 CBGD CC(C)NC(=S)NNC(=O)c1nccnc1C(N)=O 1318975303 RSISBUZIJVYLHI-UHFFFAOYSA-N 282.329 -0.907 50 20 CBGD NC(=O)c1ccc(NNC(=O)CCN2CCCC2=O)nn1 1319079666 XDLNKTBQHOTSDN-UHFFFAOYSA-N 292.299 -0.969 50 20 CBGD O=C(NNC(=O)c1ccc(O)cc1O)C(=O)N1CCCC1 1323605537 OFXJPUOXZCDGMR-UHFFFAOYSA-N 293.279 -0.519 50 20 CBGD COCC(=O)NCCC(=O)NNc1ccc(OC)cn1 1325960684 MFCNRLXKWIIZKM-UHFFFAOYSA-N 282.300 -0.314 50 20 CBGD Cn1ncc(Cl)c1C=NNC(=O)[C@@H]1CCC(=O)N1 1329189975 BJDDZTNRPFGEJQ-ZETCQYMHSA-N 269.692 -0.198 50 20 CBGD COC(=O)C(=O)NNC(=O)Nc1nc(C)cs1 1330694635 LOIFMVYOTJYQMV-UHFFFAOYSA-N 258.259 -0.223 50 20 CBGD CC(Cc1cnccn1)=NNC(=O)CS(C)(=O)=O 1331723121 QHTYIVPQAQDAAQ-UHFFFAOYSA-N 270.314 -0.444 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cn2c(n1)CCCC2 1332556722 ZPUJUPSIDOAUNX-UHFFFAOYSA-N 293.327 -0.495 50 20 CBGD O=C(c1cnc2cccnn12)N1CC[C@@H](B(O)O)C1 1333148862 DFVFHNAXIBYENB-MRVPVSSYSA-N 260.062 -0.582 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1ncccn1 1333247734 JCBOHLHTPINOQE-SECBINFHSA-N 297.315 -0.642 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CCn2cncc2C1 1334440270 KHZSQVJYLNVIML-QMMMGPOBSA-N 267.358 -0.087 50 20 CBGD CNC(=O)NNC(=O)CCc1nc2cccnc2[nH]1 1339283899 OPRNBOUEACSACM-UHFFFAOYSA-N 262.273 -0.149 50 20 CBGD NC(=O)NCCC(=O)NNc1nc2ccccn2n1 1343568652 NXVMJOJRWSQGHX-UHFFFAOYSA-N 263.261 -0.769 50 20 CBGD O=C(NCC[C@@]1(O)CCCOC1)NNC(=O)c1ccc[nH]1 1346182838 HNFRNNBSXKDXHA-ZDUSSCGKSA-N 296.327 -0.110 50 20 CBGD CN(NC(=O)[C@@]1(N(C)C)COc2ccccc2C1)C(N)=O 1348188813 VYRZYCZJJICXHE-AWEZNQCLSA-N 292.339 -0.036 50 20 CBGD C[C@H](C(=O)N1CC[C@@H](B(O)O)C1)c1cnn(C)c1 1351728539 GKXZXOCYNMYOOI-WCBMZHEXSA-N 251.095 -0.401 50 20 CBGD CC1(C)C[C@@]1(C(=O)O)C(=O)NNC(=O)Cc1cc[nH]n1 1589219215 JGDXNJPYCIYVNO-LBPRGKRZSA-N 280.284 -0.400 50 20 CBGD O=C(O)CCCCNC(=O)NNC(=O)c1ncccn1 1595043147 DLZQWVMIDOYUIO-UHFFFAOYSA-N 281.272 -0.325 50 20 CBGD O=C(NC[C@H]1CNCCO1)NNc1cccc(C(=O)O)c1 1601488326 OYPYELHYJLSEEX-LLVKDONJSA-N 294.311 -0.001 50 20 CBGD CC[C@H](C)[C@@H](NNC(=O)[C@@H]1CCC(=O)N1)C(=O)O 1604947232 QLTLSLXHIQQCAX-ACLDMZEESA-N 257.290 -0.615 50 20 CBGD CC(=O)NNC(=O)c1cc(-c2nn[nH]n2)cc(N(C)C)c1 1609064026 UHIGPHQSVFCWJV-UHFFFAOYSA-N 289.299 -0.286 50 20 CBGD CC(=O)NNC(=O)c1ccc(F)c(S(N)(=O)=O)c1 31591312 VWIJVYSQVKFXHX-UHFFFAOYSA-N 275.261 -0.746 50 20 CBGD CCCNC(=O)NNC(=O)c1ccc(=O)n(C)n1 49279923 WTTOKMVFQAOSNM-UHFFFAOYSA-N 253.262 -0.866 50 20 CBGD O=C(CN[C@H](C(=O)O)C1CC1)NNC(=O)c1ccccc1 54522675 WLRSUJGLDCDQQU-LBPRGKRZSA-N 291.307 -0.100 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CCN1CCOCC1 114464298 QLLQYCCOJDCWBE-LLVKDONJSA-N 286.376 -0.804 50 20 CBGD CN(C)CC(=O)NNC(=O)c1n[nH]c2ccccc12 170796643 RZSZAHFQUCHHQQ-UHFFFAOYSA-N 261.285 -0.115 50 20 CBGD CN(NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(N)=O 181072150 SOGIAVBNIIMEAV-UHFFFAOYSA-N 253.218 -0.168 50 20 CBGD C[C@@H]1CCNC(=O)[C@H]1NC(=O)NNc1cccnn1 194067825 RLLMKTVHISCRCG-APPZFPTMSA-N 264.289 -0.373 50 20 CBGD CCO/C=C(\C#N)C(=O)NC[C@](C)(O)CN(C)C 269886638 JSEDGLLXKIBXNM-PMDBQALLSA-N 255.318 -0.141 50 20 CBGD CCNC(=O)N(C)NC(=O)CN1CSCC1=O 272679320 NCHRLIWEUKTKNT-UHFFFAOYSA-N 260.319 -0.788 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1c(C)nn(C)c1C 275449935 IJDJNVYEEUVWNA-UHFFFAOYSA-N 289.361 -0.108 50 20 CBGD COC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)Cc1ccccn1 285690376 RTSMAMKNBMFNEG-WDEREUQCSA-N 291.307 -0.029 50 20 CBGD COC(=O)N[C@@H](C(=O)NNC(=O)[C@@H]1CCCO1)C(C)C 292078792 FLYZBTKQQARPLA-DTWKUNHWSA-N 287.316 -0.307 50 20 CBGD CCCSCC(=O)NNC(=O)C(=O)N1CCCC1 299515067 UZEIZTCEAKBIJQ-UHFFFAOYSA-N 273.358 -0.101 50 20 CBGD CSSCCNC(=O)N1CCO[C@H](C(N)=O)C1 367555608 WWFVWGPERIFWEN-ZETCQYMHSA-N 279.387 -0.107 50 20 CBGD C[C@@H](CCO)CNC(=O)c1ccc(B(O)O)c(F)c1 584960559 RVFPMNWTVCBEEA-QMMMGPOBSA-N 269.081 -0.746 50 20 CBGD C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@H](C)S1=O 584980635 GHRUYKQMLNMDJK-UWVGGRQHSA-N 295.169 -0.652 50 20 CBGD N#CC1(CNC(=O)c2cc(B(O)O)ccc2F)CC1 584983433 MMROJIIDKIYLSS-UHFFFAOYSA-N 262.049 -0.461 50 20 CBGD CN1CC2(CCN(C(=O)c3ccc(B(O)O)c(F)c3)C2)C1 584983786 TTZGWMLEODQNIW-UHFFFAOYSA-N 292.119 -0.717 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H](CCO)CC1 585001340 VFAVSNXSKKMQNI-GFCCVEGCSA-N 291.156 -0.009 50 20 CBGD CC[C@@H](C)[C@@H](CO)NCc1ccc(B(O)O)cc1 585025267 PTBDTGMDCRWNCH-ZWNOBZJWSA-N 251.135 -0.137 50 20 CBGD C[S@@](=O)C1(CNCc2cccc(B(O)O)c2)CCC1 585039800 VVWHXXGZSRVMBS-LJQANCHMSA-N 281.186 -0.243 50 20 CBGD CC(C)N(C)C[C@@H](C)NCc1ccc(B(O)O)o1 585041632 RLGWFHNETNOWON-SNVBAGLBSA-N 254.139 -0.222 50 20 CBGD O=C1[C@H](NCc2ccc(B(O)O)cc2)C[C@H]2CCCCN12 585044725 RBZXAITZEYPPOD-ZIAGYGMSSA-N 288.156 -0.391 50 20 CBGD O=C(CC1(N2CCOCC2)CCCC1)NCB(O)O 585060923 IABQCHWIKVOIEJ-UHFFFAOYSA-N 270.138 -0.850 50 20 CBGD CN(C)c1ncccc1C(=O)N1CC[C@H](B(O)O)C1 585069841 QEPQMFMBAARXIF-VIFPVBQESA-N 263.106 -0.164 50 20 CBGD Cc1ccc(NCC(=O)NNC(=S)NCC(N)=O)cc1 727064521 HGDOFVRQIVRCAC-UHFFFAOYSA-N 295.368 -0.612 50 20 CBGD COCC(C)=NNC(=O)N[C@H]1CCS(=O)(=O)C1 750935903 JOCUUUVLMGZQQK-QMMMGPOBSA-N 263.319 -0.505 50 20 CBGD Cc1[nH]nc2ncc(C(=O)NNC(=O)Cc3cc[nH]n3)cc12 755285838 VRZDHRGNNHUADZ-UHFFFAOYSA-N 299.294 -0.007 50 20 CBGD Cn1ccnc(NNC(=O)[C@@H]2CCSC2)c1=O 762543515 BPPJQUFJPCAAAR-SSDOTTSWSA-N 254.315 -0.024 50 20 CBGD COc1cc(C)ccc1NC(=O)C(=O)NNC(=O)CO 764421835 NWOMOJPWQHNPCR-UHFFFAOYSA-N 281.268 -0.918 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCCOCC1 770607509 XCQHFSFQPWSKBV-MRVPVSSYSA-N 277.346 -0.403 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCCO1 771932920 CLSVCMMTOSXSEF-HTQZYQBOSA-N 258.274 -0.346 50 20 CBGD CCO[C@H](C)C(=O)O[C@H](C)C(=O)NNC(=O)CC 772010857 PLEKPFSKOSXTCM-HTQZYQBOSA-N 260.290 -0.100 50 20 CBGD CO[C@@H](C(=O)NNc1ccc(C(N)=O)nn1)C1CC1 792651066 YPLLAVKJYZPEFJ-SECBINFHSA-N 265.273 -0.556 50 20 CBGD COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)C(N)=O)C2 814696273 CFQNLXXJHNLYPU-UWVGGRQHSA-N 268.317 -0.783 50 20 CBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1CCCCO1 820936230 IIWUNHSGTUANQD-BBBLOLIVSA-N 284.312 -0.098 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H](C)N(C)C 821492068 LXBMMDIYYTWYLZ-SSDOTTSWSA-N 264.420 -0.205 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccc(S(C)(=O)=O)nc1 823384811 VGPZSWVLXLJUGF-QMMMGPOBSA-N 287.341 -0.558 50 20 CBGD O=C(NCC1CC1)NNC(=O)c1ccn2nnnc2c1 823804180 LTEITLQNFFQMLF-UHFFFAOYSA-N 275.272 -0.522 50 20 CBGD CNS(=O)(=O)c1ccc(NC(=O)NNC(=O)O)cc1 831038304 LLBBYZAGOPAYIA-UHFFFAOYSA-N 288.285 -0.101 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnn2cccnc12 843644673 PKXSQAGOSHYMGQ-BDAKNGLRSA-N 289.295 -0.085 50 20 CBGD CCc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)n[nH]1 862452335 VRRMCNCRPRZDRG-ZETCQYMHSA-N 265.273 -0.988 50 20 CBGD CCc1cccnc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862457510 KZGKIZDXHPJCAB-VIFPVBQESA-N 276.296 -0.316 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H](O)C2CCCCC2)N1 862458401 FJWSCKGKCHNZEZ-ONGXEEELSA-N 283.328 -0.646 50 20 CBGD C#CCC(C)(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862462192 VOZDAIMIFYTAFH-MRVPVSSYSA-N 251.286 -0.538 50 20 CBGD COCCn1cc(C(=O)NNC(=O)C(C)C)cn1 864491480 YZOKLIAFPOXGNC-UHFFFAOYSA-N 254.290 -0.054 50 20 CBGD Cc1cn2ccc(C(=O)NNC(=O)CN(C)C)cc2n1 896128619 LKELTQHHJACPTH-UHFFFAOYSA-N 275.312 -0.035 50 20 CBGD C[C@H](C(=O)N(C)C)S(=O)(=O)NCCCSC#N 916992429 JRSVYRANIJASPH-MRVPVSSYSA-N 279.387 -0.013 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCN2CCCC[C@H]12 1116181821 JEVJIXIFICCUIC-RKDXNWHRSA-N 284.316 -0.883 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCC[S@@](C)=O 1121829891 PAKGVUKJHZIETJ-OCCIGCLGSA-N 291.373 -0.490 50 20 CBGD O=C(NNC(=O)N1CCOCC1)C1CCOCC1 1318036462 BAPFJUGTZZJEQP-UHFFFAOYSA-N 257.290 -0.514 50 20 CBGD Cc1nccn1CCCC(=O)NNC(=O)C(=O)NC1CC1 1322288747 DLQAOVNIVKGMHK-UHFFFAOYSA-N 293.327 -0.602 50 20 CBGD O=C(CN1CCC(=O)NC1=O)NNc1cccc(F)n1 1323967125 DXUSYEKOKUAMAC-UHFFFAOYSA-N 281.247 -0.394 50 20 CBGD CO[C@H](C)CS(=O)(=O)NNC(=O)c1cnn(C)c1 1327100848 DXJDZPPBIXNZJJ-SSDOTTSWSA-N 276.318 -0.981 50 20 CBGD Cn1ccc(NNC(=O)[C@@H]2CCCS2(=O)=O)n1 1329088729 HKCAEZZLIHIDIP-ZETCQYMHSA-N 258.303 -0.560 50 20 CBGD CCOc1cc(C(=O)NNC(=O)C(=O)NC(C)C)[nH]n1 1330120037 WNAXRRPURPXFBO-UHFFFAOYSA-N 283.288 -0.906 50 20 CBGD Cc1nn(C)cc1CC(=O)NNC(=O)C1CCOCC1 1330830687 QRCICDXPKSOLQD-UHFFFAOYSA-N 280.328 -0.155 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCc1nc[nH]n1 1331209753 QVSXSWJYWGGKBL-UHFFFAOYSA-N 263.261 -0.770 50 20 CBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCN1C 1331518392 CQVVJVGPSKFHIK-BBBLOLIVSA-N 297.359 -0.922 50 20 CBGD CN(NC(=O)C(=O)Nc1ncn(C)n1)c1ccccc1 1343917370 UPJWOUPQEUJNCT-UHFFFAOYSA-N 274.284 -0.079 50 20 CBGD CC(C)(C)[C@@H](C(=O)O)C(=O)NNC(=O)c1ncon1 1573389607 DFOVEJRNJVKZQA-RXMQYKEDSA-N 270.245 -0.423 50 20 CBGD Cn1nc(C(=O)O)cc1C(=O)NNc1cccnn1 1574465314 GUFCPXFMFDIWSH-UHFFFAOYSA-N 262.229 -0.335 50 20 CBGD CCc1nc(C)ncc1C(=O)NNC(=O)[C@@H]1CCN1 1578292001 XKTHUIXMVBJOLT-JTQLQIEISA-N 263.301 -0.530 50 20 CBGD NNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl 1580358622 NFODFAOFOCUJOI-MRVPVSSYSA-N 284.703 -0.696 50 20 CBGD C[C@H](C(=O)O)C(=O)NNc1ccc(-n2ccnc2)nn1 1588576180 ONETUVXLKWBJDW-ZETCQYMHSA-N 276.256 -0.174 50 20 CBGD O=C(O)CC1(C(=O)NNC(=O)Cc2cc[nH]n2)CCC1 1606071670 MTNONXPXXPZQQY-UHFFFAOYSA-N 280.284 -0.255 50 20 CBGD O=C(CN1CCOCC1=O)NNc1cccc(C(=O)O)c1 1608335306 BBZLHRDMOHYWBE-UHFFFAOYSA-N 293.279 -0.313 50 20 CBGD CCO[C@H]1C[C@H](NC(=O)NNC(=O)C(=O)O)C12CCC2 1610030529 MEKDIMVYEMARHQ-YUMQZZPRSA-N 285.300 -0.251 50 20 CBGD CC(=O)NNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 23198604 CRKSBWSXQWBXCW-UHFFFAOYSA-N 280.240 -0.508 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)c2cccn2C)C1 81233714 MKIYSXFPQSGWDP-SNVBAGLBSA-N 266.301 -0.883 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)c1ccc(C)o1 84284958 PYWCNTMEZNHPNU-ZETCQYMHSA-N 253.258 -0.126 50 20 CBGD C/C=C/C=C/C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 126048050 VPGPXUJVWIVTDR-GTKKCLNISA-N 287.341 -0.364 50 20 CBGD O=C1C[C@H](C(=O)NNC(=O)CNc2ccccc2)CCN1 151325092 MUQLIUWOMOLTDB-SNVBAGLBSA-N 290.323 -0.228 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)Cc2ccccc2F)C1 191104583 BGWYBYDSULNMGN-UHFFFAOYSA-N 293.298 -0.006 50 20 CBGD CC(C)CC(=O)NNC(=O)NCCCN1C(=O)CCC1=O 264352005 DDNRNXDPFBXBQP-UHFFFAOYSA-N 298.343 -0.098 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 276535683 DLHOPVWLPXSTNK-WDEREUQCSA-N 291.307 -0.211 50 20 CBGD C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)CN(C)C 280757952 QLIHMULPKSJSPM-DTWKUNHWSA-N 255.318 -0.299 50 20 CBGD CCOC(=O)/C(C#N)=C/N[C@@H]1CS(=O)(=O)C[C@@H]1C 290022385 XEJIQOZUADYDGY-UHHLUOIISA-N 272.326 -0.020 50 20 CBGD O=C(NNC(=O)C1(O)CCCC1)C(=O)N1CCCC1 299609189 XJELVSYBOLGWPM-UHFFFAOYSA-N 269.301 -0.939 50 20 CBGD CCOC(=O)NNC(=O)c1c([N+](=O)[O-])cnn1C 494351934 ZFXVFBDNEHTMLJ-UHFFFAOYSA-N 257.206 -0.281 50 20 CBGD C[C@H](C=NNC(=O)C(N)=O)CNC(=O)OC(C)(C)C 496580357 CFFZHUXWUUZGEO-ZETCQYMHSA-N 272.305 -0.266 50 20 CBGD CCCN(CCO)C(=O)c1ccc(B(O)O)cc1 584931472 WJLCLQOHDILIIG-UHFFFAOYSA-N 251.091 -0.789 50 20 CBGD CCN(CC)C(=O)CNC(=O)c1cc(B(O)O)ccc1F 584935678 UOAMNDKSVYJDPY-UHFFFAOYSA-N 296.107 -0.896 50 20 CBGD CC[C@@H](COC)NC(=O)c1cc(B(O)O)ccc1F 584950715 SLNHIHFCUIEJSB-VIFPVBQESA-N 269.081 -0.340 50 20 CBGD CC(C)COC[C@@H](O)CNC(=O)c1ccc(B(O)O)cc1 584963120 VVPCUTWDZDJOGY-ZDUSSCGKSA-N 295.144 -0.870 50 20 CBGD Cc1nc([C@H](C)NC(=O)c2ccc(B(O)O)cc2)n[nH]1 584989898 XLMDBFOFGGFMTC-ZETCQYMHSA-N 274.089 -0.716 50 20 CBGD CN1CCC(NCc2ccc(B(O)O)cc2F)CC1 585014524 USWVLTAQFXLBSF-UHFFFAOYSA-N 266.125 -0.311 50 20 CBGD C[C@@H]1CN(CCNCc2cccc(B(O)O)c2)CCO1 585022122 JDPCMQRCXSTHCD-GFCCVEGCSA-N 278.161 -0.823 50 20 CBGD OB(O)c1ccc(CNC[C@@]2(O)CCSC2)cc1 585027096 WIEXWCBPJRJIIY-LBPRGKRZSA-N 267.159 -0.676 50 20 CBGD Cc1cnc(CCNCc2ccc(B(O)O)cc2F)nc1 585032418 UJBOYJUHEKVWMY-UHFFFAOYSA-N 289.119 -0.064 50 20 CBGD O=S(=O)(c1ccc2c(c1)OCO2)N1CC[C@@H](B(O)O)C1 585059079 YRQPZAVEYZHBLV-MRVPVSSYSA-N 299.113 -0.347 50 20 CBGD CCNC(=O)CN(C)[C@H](C)C(=O)NNC(=O)CC 732197958 QSPZZIGRBGWQAQ-MRVPVSSYSA-N 258.322 -1.000 50 20 CBGD C[C@H]1CO[C@H](C)CN1CC(=O)NNC(=O)C1CC1 733194257 DWBWXGLRSLKVLF-DTWKUNHWSA-N 255.318 -0.347 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1C[C@H]1C(=O)O 738827654 KGFJFJJLVRPMCU-NTSWFWBYSA-N 252.230 -0.800 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)Cc1ccncc1 747428165 HRHINARJPGSHOR-VIFPVBQESA-N 278.312 -0.314 50 20 CBGD CC(C)(CNC(=O)NNc1ncccn1)S(C)(=O)=O 748966638 MIVYGBQMKSULFU-UHFFFAOYSA-N 287.345 -0.074 50 20 CBGD CNc1nnc(CC(=O)NNC(=O)c2cc(C)[nH]n2)s1 760004460 AHAVYNVHDAVAEF-UHFFFAOYSA-N 295.328 -0.385 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)Cn1ccccc1=O 771950391 YBHDXVFEVPRHAA-VIFPVBQESA-N 295.295 -0.663 50 20 CBGD Cc1ccc(CNC(=O)NCC(=O)NN(C)C(N)=O)cc1 778415201 AIIAAHMROYCZEE-UHFFFAOYSA-N 293.327 -0.164 50 20 CBGD CCNC(=O)N(C)NC(=O)COC1CCOCC1 780712336 QREKCHYIYDDOLP-UHFFFAOYSA-N 259.306 -0.126 50 20 CBGD CS(=O)(=O)CCNC(=O)NNc1ncncc1Cl 780972408 AYIDXCRATHLZRS-UHFFFAOYSA-N 293.736 -0.199 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H](C)CN1CCOCC1 783661544 QFDNGCQYKSLWLP-SNVBAGLBSA-N 272.349 -0.353 50 20 CBGD Cc1cccnc1NNC(=O)Cn1ccc(O)nc1=O 791215067 NQCVCXMRZVFOMQ-UHFFFAOYSA-N 275.268 -0.204 50 20 CBGD COC(=O)c1csc(C(C)=NNC(=O)C(N)=O)c1 794858648 QPZVYCCGUWROQJ-UHFFFAOYSA-N 269.282 -0.140 50 20 CBGD Cc1cc(CC(=O)NN=C2C(=O)OC[C@H]2C)n[nH]1 794886901 QADIFKJAWYEISP-ZCFIWIBFSA-N 250.258 -0.074 50 20 CBGD CC[C@@](C)(OC)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 794890202 MYONKZUPKATVIK-GZMMTYOYSA-N 292.357 -0.616 50 20 CBGD CNC(=O)NN=C(CS(=O)(=O)N(C)C)C(C)C 794902234 TUTDVENXHINNGY-UHFFFAOYSA-N 264.351 -0.181 50 20 CBGD CN(CC(=O)NNC(=O)c1cccs1)C1(CO)CC1 796501895 FSODAKILCBQIJR-UHFFFAOYSA-N 283.353 -0.034 50 20 CBGD CNS(=O)(=O)c1cc(C(=O)NN(C)C2CC2)co1 819650815 YWCPNQPWDLJMGN-UHFFFAOYSA-N 273.314 -0.073 50 20 CBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)NN(C)C(=S)NC 822548208 XLEIKGKNRDCCCE-RNFRBKRXSA-N 259.331 -0.347 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1CC(C)=NO1 823816123 PKRKQINEIWUWDZ-MRVPVSSYSA-N 258.278 -0.482 50 20 CBGD Cc1nc[nH]c1C(=O)NNC(=O)[C@H]1CCO[C@H]1C 824016977 XFECAYHMVPZLAK-YUMQZZPRSA-N 252.274 -0.096 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCOC[C@H]1C 827273280 GPLUHTOSMJZYBR-UTLUCORTSA-N 271.317 -0.127 50 20 CBGD Cc1cc(C(=O)NNC(=S)NCCCC(=O)O)n[nH]1 832864622 PNERCPZZFOJIKS-UHFFFAOYSA-N 285.329 -0.308 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCn1ccccc1=O 843641745 CNNUGEJPPSTWLR-WDEREUQCSA-N 293.323 -0.189 50 20 CBGD COc1ccnc(NNC(=O)NCCN2CCCC2=O)n1 845474062 FKAFQDVKCLLBNH-UHFFFAOYSA-N 294.315 -0.266 50 20 CBGD CC1=C(C(=O)NNC(=O)N(C)C)[C@@H](C)n2nnnc2N1C 847403033 ONZXKYOJWBXAEK-SSDOTTSWSA-N 294.319 -0.740 50 20 CBGD COC[C@H](OC)C(=O)NNC(=S)N[C@H](C)C1CC1 855094695 FLSJXJKBLHHUJS-APPZFPTMSA-N 275.374 -0.058 50 20 CBGD CN(C)[C@@H](C(=O)NNC(=O)c1cc[nH]n1)c1cncn1C 855357093 ZYJVXECUCGOQFJ-SNVBAGLBSA-N 291.315 -0.793 50 20 CBGD CC(C)C(=O)N[C@@H](CO)C(=O)NN[C@@H](C)C(F)(F)F 862319284 AGONKJXYTCXQBI-BQBZGAKWSA-N 285.266 -0.309 50 20 CBGD CN(C)c1ncccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862450866 CPWCWALVHOKEBU-SECBINFHSA-N 291.311 -0.813 50 20 CBGD CS[C@H](C)CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862457442 JPLFDMXNWOATQB-RNFRBKRXSA-N 259.331 -0.446 50 20 CBGD COC1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCCCC1 862460741 IUSQUXHXJSMHGQ-VIFPVBQESA-N 283.328 -0.238 50 20 CBGD O=C(CSC(F)F)NNC(=O)[C@H]1CCC(=O)N1 862462067 UGOQKWWJNFGZJU-SCSAIBSYSA-N 267.257 -0.632 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H]2C[C@H]2C(F)(F)F)N1 868799977 GMLZFKGVMCAIRW-NGJCXOISSA-N 294.233 -0.454 50 20 CBGD CCC[C@@H](CCO)NC(=O)c1cc(B(O)O)ccc1F 869870064 SSKMYDYXSMMRHD-JTQLQIEISA-N 283.108 -0.214 50 20 CBGD C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NNC(=O)CN(C)C 878681531 UZMUTZFCAJAANT-PELKAZGASA-N 279.344 -0.215 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)n1 905161520 XFZUVVWHOFWQHB-OASPWFOLSA-N 290.323 -0.128 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cc(C(N)=O)cs1 910169722 WEZOIGCQKVFNPQ-LURJTMIESA-N 257.315 -0.196 50 20 CBGD CC(=O)NNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 913587862 CDJDCSQMQGOACO-UHFFFAOYSA-N 281.224 -0.047 50 20 CBGD C[C@H](C(=O)N(C)CC(=O)NNC(=O)C1CC1)n1cccn1 918688014 HTMUMZQGBVZOGL-SECBINFHSA-N 293.327 -0.540 50 20 CBGD C[C@@H](NS(=O)(=O)CCl)[C@@H]1CN(C)CCN1C 919982108 REIBLEVVHPSQGZ-BDAKNGLRSA-N 269.798 -0.264 50 20 CBGD COC[C@H](C)NC(=S)NNC(=O)C1CCOCC1 920242764 LZTJTBLAJZLNQP-QMMMGPOBSA-N 275.374 -0.057 50 20 CBGD Cn1cccc1C(=O)NNC(=O)C[C@@H]1CCS(=O)(=O)C1 1115824493 WJAGUUFPPQXESV-VIFPVBQESA-N 299.352 -0.389 50 20 CBGD COCCOCC(=O)NNC(=O)c1n[nH]c2c1CCCC2 1116051245 MFMXYMAWORYAEQ-UHFFFAOYSA-N 296.327 -0.288 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CCCS1 1116250137 HWMQUZPVBWFDGL-ZCFIWIBFSA-N 261.303 -0.615 50 20 CBGD C[C@@H](CN)CNC(=O)NNc1nncc(N)c1Cl 1117966862 ONTXUPHDHYYTMY-YFKPBYRVSA-N 273.728 -0.067 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C1(Br)CC1 1119108212 RFFJNKZJANSURZ-UHFFFAOYSA-N 299.146 -0.894 50 20 CBGD O=C(C[C@H]1CCS(=O)(=O)C1)NN=c1cc[nH]cc1 1254382305 DEBJAIQYOHZSDR-SECBINFHSA-N 269.326 -0.229 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)c1ncccn1 1261370026 VTNNTJSUCQVBEQ-MRVPVSSYSA-N 287.283 -0.908 50 20 CBGD O=C(NNc1ccncn1)[C@@H]1OC[C@@H]2COCC[C@@H]21 1262626499 QKKJOYQRZAAIKB-ATZCPNFKSA-N 264.285 -0.029 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C(C)(C)C)[C@H]1CN(C)CCN1C 1263778782 RMBGJZCLZMDCRR-GHMZBOCLSA-N 299.419 -0.003 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc(O)c(NC(C)=O)c1 1325775886 ISBSGAHLXPBOAL-UHFFFAOYSA-N 287.297 -0.320 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2C[C@H]2c2cccnc2)N1 1329200748 HBEOTGREDVQRGF-AXFHLTTASA-N 288.307 -0.389 50 20 CBGD C[C@@H](NNC(=O)Cn1ccc(O)nc1=O)C(F)(F)F 1329522732 SDYMUUNSDIHJBQ-RXMQYKEDSA-N 280.206 -0.480 50 20 CBGD C[C@@H](CN1CCCC1=O)NC(=O)NNC(=O)c1cn[nH]c1 1329734799 IJGBTLSPFPJUDE-QMMMGPOBSA-N 294.315 -0.635 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)CCO1 1332482426 LTZPMWBPHDPHHP-APPZFPTMSA-N 267.289 -0.079 50 20 CBGD CS(=O)(=O)CCC(=O)NNc1ncc(F)cn1 1336050988 JASVDHQDKTYINP-UHFFFAOYSA-N 262.266 -0.507 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cc(C)c2nccn2c1 1343914406 ACNGJXWTYSYVGC-UHFFFAOYSA-N 275.268 -0.251 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)C(F)F)nc21 1347341721 URHFNEMNTFYYTH-UHFFFAOYSA-N 258.188 -0.223 50 20 CBGD CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)CCN 1575244474 YZEQIZGLISYFKP-RKDXNWHRSA-N 285.344 -0.150 50 20 CBGD CO[C@H](C(=O)NNC(=O)CCCCCN)c1cnn(C)c1 1578890922 DKTDJIBZOMGRMY-LBPRGKRZSA-N 297.359 -0.226 50 20 CBGD N[C@H](C(=O)NNC(=O)c1ncon1)c1ccc(F)cc1F 1580115214 OYECQBZFVRZLEC-QMMMGPOBSA-N 297.221 -0.191 50 20 CBGD O=C(NNC(=O)c1cccc(-c2nn[nH]n2)n1)c1ccoc1 1593159101 XABIWBSQDQJNMY-UHFFFAOYSA-N 299.250 -0.071 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1 1594645260 QQCZLHHDPSNEOX-JXUBOQSCSA-N 299.327 -0.005 50 20 CBGD CCC1(CC)[C@H](NC(=O)NNC(=O)C(=O)O)C[C@H]1OC 1595373019 BBVZBHTUKHGHTM-HTQZYQBOSA-N 287.316 -0.005 50 20 CBGD O=C(CO)NN=Cc1c(C(=O)O)ccc2c1OCO2 1776052842 XPYCUWXZTQZBBZ-UHFFFAOYSA-N 266.209 -0.444 50 20 CBGD CC[C@H](C)C(=O)NNS(=O)(=O)c1cnn(C)c1 48654576 UASCHGIZYSQWTB-ZETCQYMHSA-N 260.319 -0.224 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(-c2nnn[nH]2)cc1 95301309 QNELVVYXEQSMRR-UHFFFAOYSA-N 275.272 -0.169 50 20 CBGD CCN1C[C@@H](C(=O)NNC(=O)c2cccn2C)CC1=O 122597251 CEMNPCMHWYGXMC-VIFPVBQESA-N 278.312 -0.346 50 20 CBGD Cc1oc(-c2ccco2)nc1CC(=O)NNC(=O)CO 180960294 JLVOWUKGKHMZFV-UHFFFAOYSA-N 279.252 -0.075 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1CCc2[nH]ncc2C1 270111057 DOZBICZOEKIPLF-SECBINFHSA-N 293.327 -0.412 50 20 CBGD C[C@@H](C(=O)NN(C)C(N)=O)n1nnnc1C(C)(C)C 272147814 FSMMTMVYPYZHNP-LURJTMIESA-N 269.309 -0.427 50 20 CBGD COCCOCC(=O)NNc1nc2ccccn2n1 276683035 CSXQEUXNCGNAGC-UHFFFAOYSA-N 265.273 -0.165 50 20 CBGD C=C(C)[C@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)O 280265031 OBWYLRKMASBMTK-RKDXNWHRSA-N 256.302 -0.114 50 20 CBGD CNC(=O)NCCC(=O)NNc1nc(C)cc(C)n1 292439211 MJJUEUZWYUOJME-UHFFFAOYSA-N 266.305 -0.144 50 20 CBGD COCC(C)(C)NC(=O)c1ccc(B(O)O)cc1 584939937 OJDYHARHVGMQGQ-UHFFFAOYSA-N 251.091 -0.479 50 20 CBGD CC[C@@H](O)CCNC(=O)c1cccc(B(O)O)c1 584959664 JYSILPYUVOIQOR-LLVKDONJSA-N 251.091 -0.743 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@H](F)C[C@H]1CO 584978824 DMKIMIOOZHDAIG-BDAKNGLRSA-N 285.055 -0.950 50 20 CBGD COC[C@@H](OC)c1nc(-c2cccc(B(O)O)c2)no1 585051748 DAVZBPPDKVHXHL-SNVBAGLBSA-N 278.073 -0.250 50 20 CBGD OB(O)[C@@H]1CCN(c2cncc(-n3cccn3)n2)C1 585072499 BIVDKRFRPDIGIY-SECBINFHSA-N 259.078 -0.285 50 20 CBGD O=C(COC[C@H]1CCCO1)NNC(=O)NC1CC1 733256560 UDFDOZBJNOBSCN-SECBINFHSA-N 257.290 -0.325 50 20 CBGD CC(C)C(=O)NNC(=O)NCCSCC(=O)O 736347034 OMALKCBPWJWXED-UHFFFAOYSA-N 263.319 -0.209 50 20 CBGD Cc1ncsc1C(=O)NNC(=O)CN(C)C(=O)O 738892295 IEGRPUVOQBQWHD-UHFFFAOYSA-N 272.286 -0.178 50 20 CBGD CN1CC(=O)N(CC(=O)NNc2ccc(C#N)cc2)C1=O 748100958 OQDJNMILQIAFOV-UHFFFAOYSA-N 287.279 -0.105 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)N[C@@H]1CCOC1 752168895 MUOOXEWJPIMFHW-SNVBAGLBSA-N 264.285 -0.257 50 20 CBGD C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NNC(=O)CO 753442928 QPHXITGNMHJXKP-VIFPVBQESA-N 289.291 -0.359 50 20 CBGD NC(=O)C1(C(=O)NNc2cc(Cl)nc(N)n2)CC1 753450439 VKGDWTAJCWDMCU-UHFFFAOYSA-N 270.680 -0.579 50 20 CBGD CC(=O)NN=Cc1cnc(N2CCN(C)CC2)nc1 755467510 HSUFTTNQAKCZOV-UHFFFAOYSA-N 262.317 -0.302 50 20 CBGD CNC(=O)c1cccc(NC(=O)NNC(=O)CO)c1C 755659059 RKJSXWYIRKTDAR-UHFFFAOYSA-N 280.284 -0.500 50 20 CBGD COc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)c(C)n1 763558622 RRGYEFKUQHNWCH-UHFFFAOYSA-N 292.295 -0.105 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CO)c(C)c1 764422539 VSKMTMHGJNUVIU-UHFFFAOYSA-N 265.269 -0.618 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H](C)CS(C)(=O)=O)n[nH]1 765586777 AWODQYWIXSAKHW-ZCFIWIBFSA-N 288.329 -0.840 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C(C)(C)NC(C)=O 772076784 TVJWPUMGRWGCEZ-ZETCQYMHSA-N 287.316 -0.610 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc(N(C)C(C)=O)cc1 775249384 KQGJZPVWUVEGLI-UHFFFAOYSA-N 285.325 -0.001 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(C(C)C)C(=O)C1 780377089 CJFUPSWYWIZZNJ-JTQLQIEISA-N 284.360 -0.515 50 20 CBGD C[C@@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)[C@@H]1CO 785517640 WXLFVVFMOSHVTR-NXEZZACHSA-N 271.361 -0.117 50 20 CBGD O=C(NNc1nc2ccccn2n1)N[C@H]1CC[S@](=O)C1 790425660 ONYXAGBPVQBRGY-FHZGZLOMSA-N 294.340 -0.124 50 20 CBGD CC[C@H](CO)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 792855778 SXDHRVJGMLEKEM-NXEZZACHSA-N 278.374 -0.503 50 20 CBGD O=C(CC1OCCCO1)NNC(=O)NCC1CC1 793201053 HMUGMWFPKIKQJP-UHFFFAOYSA-N 257.290 -0.120 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1cn(C)nc1C 805064142 DOMDLMFMNNYFGD-UHFFFAOYSA-N 275.334 -0.417 50 20 CBGD C=C[C@](C)(O)CC(=O)NNC(=O)N1CCN(C)CC1 811421671 SFELSTOVNDXWCN-LBPRGKRZSA-N 270.333 -0.698 50 20 CBGD CCC[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 812499249 BPYOPVDUMPSPDO-DJLDLDEBSA-N 291.373 -0.492 50 20 CBGD CC(=O)N1CC[C@](C)(C(=O)NN(C)[C@H](C)CO)C1 823952095 OEUJGQNWHOTRAK-SKDRFNHKSA-N 257.334 -0.411 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 823977317 UFWFMSJONXRHGR-NXEZZACHSA-N 271.361 -0.023 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C=C1\SCC(=O)N1C 824016987 XJKXUBTUOGPZLK-VLRPMVBOSA-N 299.352 -0.395 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNc1cccc(-c2nn[nH]n2)c1 824538410 IWXDXBZSCGJMFF-LURJTMIESA-N 290.287 -0.633 50 20 CBGD O=C(NNc1nc(-c2ccncc2)no1)[C@H]1CCN1 828217646 IJNYXTJXFYIGEW-MRVPVSSYSA-N 260.257 -0.063 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1c[nH]c(C(=O)O)c1 830564201 XWHSMZFONJYGPE-UHFFFAOYSA-N 276.274 -0.823 50 20 CBGD CCN1C[C@H](C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1=O 843648594 YFBJAPPLHKSLBF-OPRDCNLKSA-N 283.328 -0.573 50 20 CBGD O=C(Cn1nnc2c1CCCC2)NNC(=O)NCC1CC1 847391394 XKJKODAZPYXCCD-UHFFFAOYSA-N 292.343 -0.103 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)C[C@H]1COCCO1 852497646 ZCCMROVLIQAPPQ-ZJUUUORDSA-N 273.333 -0.721 50 20 CBGD CNC(=S)N(C)NC(=O)c1cccc(C(=O)OC)n1 854925420 GDCOJYHLLKSMPO-UHFFFAOYSA-N 282.325 -0.051 50 20 CBGD CC(C)N(C)C[C@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858467969 ZLRBLWHRAZNCEX-VHSXEESVSA-N 299.375 -0.676 50 20 CBGD O=C(NC[C@H]1COCCN1)NNc1nc2ccccn2n1 861683940 DSVSODSKEFYWPW-VIFPVBQESA-N 291.315 -0.656 50 20 CBGD CN(CC(=O)NNC(=O)Cc1cc[nH]n1)C1CCC1 863866023 GNOXZGQICGRNOA-UHFFFAOYSA-N 265.317 -0.416 50 20 CBGD CO[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)CCO1 878966293 JBZGLBNONUWIPA-ZDUSSCGKSA-N 293.323 -0.248 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ncccn2)CC1(C)C 883694387 BPUSZHQXPNIGDH-UHFFFAOYSA-N 292.343 -0.143 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H](C)[C@H](C)S(C)(=O)=O 910152770 NZIGKVQKUIDGFE-CIUDSAMLSA-N 266.363 -0.601 50 20 CBGD C=CCOCCCC(=O)NNC(=O)CN1CCCC1=O 913731478 KBZBPHKALQVQHO-UHFFFAOYSA-N 283.328 -0.261 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ccnn1C 914554981 DFEUXEQRNSLCGD-NSHDSACASA-N 279.344 -0.162 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 920858575 IOJAZDUTMLYSTD-RDDDGLTNSA-N 286.357 -0.209 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCN2CCCC[C@@H]12 1116181820 JEVJIXIFICCUIC-IUCAKERBSA-N 284.316 -0.883 50 20 CBGD C[S@@](=O)CCNC(=O)NNC(=O)Cc1ccncc1 1116195581 NIWNYRZJZISHGS-LJQANCHMSA-N 284.341 -0.667 50 20 CBGD COc1ccnc(C(=O)NNC(=O)C(=O)NC2CC2)c1 1118281930 QUMUYWCBOJNBSU-UHFFFAOYSA-N 278.268 -0.870 50 20 CBGD O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H](B(O)O)C1 1118974245 GXMVINRGAXJHOC-QMMMGPOBSA-N 282.065 -0.743 50 20 CBGD CCn1nncc1C(=O)NNC(=O)C1CCOCC1 1119288851 IXKHNVUQJGTBKS-UHFFFAOYSA-N 267.289 -0.514 50 20 CBGD CCn1nccc1C(=O)NNc1nccn(C)c1=O 1255208098 SEQFHLNLDMPEIY-UHFFFAOYSA-N 262.273 -0.246 50 20 CBGD CCO/C=C(\C#N)C(=O)NCC1CN(S(C)(=O)=O)C1 1255303100 FFVCBHSCZSJKAY-CSKARUKUSA-N 287.341 -0.562 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCc1cncnc1 1261244675 XUDJJILFHRFCKS-UHFFFAOYSA-N 252.274 -0.673 50 20 CBGD O=C(CN1C(=O)CCC1=O)NN=c1cc[nH]cc1Cl 1263758003 MIPLWMAUAOLXEV-UHFFFAOYSA-N 282.687 -0.251 50 20 CBGD COCCC(=O)NNc1nc(O)c2cnn(C)c2n1 1319292260 QFGDZUHSHZVXIP-UHFFFAOYSA-N 266.261 -0.452 50 20 CBGD Cn1ncc([N+](=O)[O-])c1C(=O)NNC(=O)c1ccncc1 1320365765 AAUBQNKXLNVILA-UHFFFAOYSA-N 290.239 -0.202 50 20 CBGD C[C@H]1C[C@H](C(=O)NNc2nccn(C)c2=O)CO1 1320577694 OTAJCLYVQRZCJL-YUMQZZPRSA-N 252.274 -0.352 50 20 CBGD COc1cc(F)cc(NC(=O)NNC(=O)CO)c1 1321036846 GOPBKNRBWAGHGU-UHFFFAOYSA-N 257.221 -0.021 50 20 CBGD O=C(NNC(=O)c1cnc(S)[nH]1)C(=O)N1CCCC1 1321255165 AMSRZRVOIIMPFI-UHFFFAOYSA-N 283.313 -0.918 50 20 CBGD O=C(C[n+]1ccccc1)NNC=c1cccc2c1=CC=N2 1322445337 HIODVSLETGMKJK-UHFFFAOYSA-O 279.323 -0.471 50 20 CBGD Cn1nc(C(=O)NNc2nncc(N)c2Cl)ccc1=O 1322646351 MMSBAZMVQNINTK-UHFFFAOYSA-N 295.690 -0.437 50 20 CBGD CCc1n[nH]cc1C(=O)NNC(=O)C(=O)NC(C)C 1323607500 HXHRQKXLCPBYCW-UHFFFAOYSA-N 267.289 -0.742 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)Cc1cccnc1 1326382531 WGKZBHWUHQCRIJ-UHFFFAOYSA-N 264.285 -0.750 50 20 CBGD Cn1cc(C=NNC(=O)CS(C)(=O)=O)c(C(F)F)n1 1330143392 RUTNSUQCZNWORR-UHFFFAOYSA-N 294.283 -0.148 50 20 CBGD CCOC(=O)NCCC(=O)N1CC[C@@H](B(O)O)C1 1335430323 FOWLJYVGOGQYIO-MRVPVSSYSA-N 258.083 -0.802 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(C#N)c(O)c1 1338724792 USHFHLCJEQHOBH-UHFFFAOYSA-N 290.279 -0.451 50 20 CBGD O=C(CCO)NNC(=O)Nc1cnn(-c2ccccc2)n1 1342675105 PEEOXGVYRAOTTI-UHFFFAOYSA-N 290.283 -0.198 50 20 CBGD CCO/C=C(/C#N)C(=O)NCCCn1cc(CO)nn1 1343770244 QJVJDXBWXSUFFR-KTKRTIGZSA-N 279.300 -0.279 50 20 CBGD CC1(C)C[C@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 1348110590 LETFHAUHHVHXOJ-RKDXNWHRSA-N 298.343 -0.447 50 20 CBGD CCn1ncnc1C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1 1549317711 YPXRDXLCWZFRRW-WDEREUQCSA-N 292.343 -0.389 50 20 CBGD O=C(CN1CCNCC1)NNC(=S)NCC1CCC1 1574300394 LGLNHDZEJXFVKA-UHFFFAOYSA-N 285.417 -0.813 50 20 CBGD CC[C@@H](NC)C(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1 1577172117 LAKYIOSBXUNVJF-NEPJUHHUSA-N 298.387 -0.615 50 20 CBGD Cc1ccccc1CC(=O)NNC(=O)[C@]1(C)C[C@@H](O)CN1 1579796338 AGWZBDCDCQCBQF-DOMZBBRYSA-N 291.351 -0.202 50 20 CBGD CCOC(=O)NNC(=O)Nc1ccc(C(=O)O)nn1 1605551874 SPTIKOABJDBITG-UHFFFAOYSA-N 269.217 -0.043 50 20 CBGD C[C@@H]1CN(C)C[C@@H](C(=O)NN=Cc2ccc(C(=O)O)[nH]2)O1 1776092644 WWCPAMUOMICGRE-KCJUWKMLSA-N 294.311 -0.118 50 20 CBGD CCO[C@@H](CC)C(=O)NNC(=O)c1cnn(C)c1 117682389 RDJWUDOZCHLOOX-VIFPVBQESA-N 254.290 -0.004 50 20 CBGD O=C(CO)NNC(=O)Cc1ccccc1OC(F)F 182750548 KQLAXPUPRNLGJM-UHFFFAOYSA-N 274.223 -0.030 50 20 CBGD Nc1nccnc1C(=O)NNC(=O)c1ccncc1 192776588 BPYCNBGTVIJNPH-UHFFFAOYSA-N 258.241 -0.471 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)Cn1nc(C)cc1C 270542612 XPGNQOUEAQIEOK-VIFPVBQESA-N 297.315 -0.608 50 20 CBGD COC(=O)N(C)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 285772478 AIDYTOLWVYXMSE-VIFPVBQESA-N 286.332 -0.874 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)[C@H]1CCC(=O)N1 292576802 GGLONQYPBBRFOC-SNVBAGLBSA-N 291.307 -0.336 50 20 CBGD COc1ccc(CCC(=O)NNC(=O)CNC(C)=O)cc1 299165802 RMNSKSOKNYHATR-UHFFFAOYSA-N 293.323 -0.089 50 20 CBGD CC(C)OCC(=O)NNC(=O)C(=O)N1CCCC1 299515149 VBVKJZXSCPGYEV-UHFFFAOYSA-N 257.290 -0.819 50 20 CBGD C[C@@H](C=NNC(=O)C(N)=O)CNC(=O)OC(C)(C)C 496580351 CFFZHUXWUUZGEO-SSDOTTSWSA-N 272.305 -0.266 50 20 CBGD Cc1noc(C)c1CCNC(=O)c1ccc(B(O)O)cc1 584943085 FNHYNRGBMDQJTM-UHFFFAOYSA-N 288.112 -0.056 50 20 CBGD CC[C@@H](CN1CCCC1)NC(=O)c1ccc(B(O)O)cc1 584951790 PAIKALSOGSZQGJ-AWEZNQCLSA-N 290.172 -0.029 50 20 CBGD CCN1C[C@@H](C)N(C(=O)c2ccc(B(O)O)cc2)C[C@@H]1C 584969262 SONASGROIWGIQO-NWDGAFQWSA-N 290.172 -0.079 50 20 CBGD O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)c1ccc(B(O)O)c(F)c1 584979102 KUUWPZQXHFBKSH-OASPWFOLSA-N 293.103 -0.197 50 20 CBGD C[C@H]1CSC[C@@H]1NC(=O)c1ccc(B(O)O)cc1 584988751 SXQZFADLQVIKHT-KWQFWETISA-N 265.143 -0.152 50 20 CBGD Cc1nc2n(n1)C[C@H](NCc1ccc(B(O)O)cc1)CC2 585020495 ZAHLKEVGKMAACD-CYBMUJFWSA-N 286.144 -0.629 50 20 CBGD C[C@H](NCc1ccc(B(O)O)o1)C(=O)N1CCCCC1 585021371 JIWSIECUZXNWIT-JTQLQIEISA-N 280.133 -0.550 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCCn3ncnc32)c(F)c1 585027144 XRYGRBPHLBERSI-GFCCVEGCSA-N 290.107 -0.278 50 20 CBGD CS[C@@H](CO)[C@H](C)NCc1ccc(B(O)O)cc1 585027857 FCSGKIRRUWQPHZ-CABZTGNLSA-N 269.175 -0.432 50 20 CBGD C[C@H](CC[S@@](C)=O)NCc1cccc(B(O)O)c1 585031154 SHTBLTGPVKBRIK-MLCYQJTMSA-N 269.175 -0.387 50 20 CBGD O=C(Cn1cnnn1)NNc1nc(-c2cccnc2)no1 732110764 NGOCRHDONNUIEO-UHFFFAOYSA-N 287.243 -0.739 50 20 CBGD NC(=O)CSCC(=O)NNC(=O)NC1CCCC1 735656910 UEPQUHCUVXIQLI-UHFFFAOYSA-N 274.346 -0.522 50 20 CBGD Cc1nnc(NNC(=O)[C@H](NC(=O)O)C(C)C)nc1O 738931049 CKEGYNWSJRURAJ-ZCFIWIBFSA-N 284.276 -0.379 50 20 CBGD O=C(CN1CCCNC1=O)NNc1ncnc2[nH]cnc12 740746636 XUUSCKGJVSAECL-UHFFFAOYSA-N 290.287 -0.789 50 20 CBGD O=C(CO)NNC(=O)c1cnc(S)n1-c1ccccc1 753442724 NYQNAINLONPPOJ-UHFFFAOYSA-N 292.320 -0.086 50 20 CBGD C#CCOCCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 756505000 NUHJVNLMPIPEBH-NSHDSACASA-N 288.369 -0.481 50 20 CBGD COC(=O)c1cc(NC(=O)NNC(=O)CO)ccc1C 756843379 DLHFRJSYLQXIGR-UHFFFAOYSA-N 281.268 -0.073 50 20 CBGD NC(=O)c1ccc(NNC(=O)COC[C@H]2CCCO2)nn1 757401366 VHIGTWDXUBJQLD-MRVPVSSYSA-N 295.299 -0.786 50 20 CBGD COCC(=O)NNC(=O)N=c1cc(C)[nH]cc1C 757807876 NORXPIMWIAEPPS-UHFFFAOYSA-N 252.274 -0.081 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2CCNC(=O)C2)n1 760362515 MDNAEBWAJZAOKX-SSDOTTSWSA-N 265.273 -0.546 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1cccc2[nH]ccc12 764421214 HMZAODOXKSHKBZ-UHFFFAOYSA-N 276.252 -0.754 50 20 CBGD CCCNC(=O)NNC(=O)c1cc(OC)n(C)n1 772449834 FUWAZDKUOMOHQQ-UHFFFAOYSA-N 255.278 -0.217 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)C[C@H](O)C(F)(F)F 774771217 LYZNAUBGWDZXDK-RQJHMYQMSA-N 285.266 -0.213 50 20 CBGD C[C@H]1CCN(S(=O)(=O)NNC(=O)N(C)C)C1 777930874 MWDSJODEGZKISC-ZETCQYMHSA-N 250.324 -0.651 50 20 CBGD N#CCN1CCN(S(=O)(=O)CBr)CC1 779205172 MFCMACFNOXVGPX-UHFFFAOYSA-N 282.163 -0.190 50 20 CBGD CNC(=O)NNC(=O)[C@]1(O)CCc2ccccc2C1 785947866 FFVBRVPIEHINOY-ZDUSSCGKSA-N 263.297 -0.133 50 20 CBGD Cn1cc(CCC(=O)NNC(=O)C(C)(C)O)cn1 787949101 JJILPQFFYMFGNS-UHFFFAOYSA-N 254.290 -0.729 50 20 CBGD CC[C@@H](NNC(=O)[C@H](C)OCCOC)C(=O)OC 790444626 JSUWVGPQXUNUIC-DTWKUNHWSA-N 262.306 -0.390 50 20 CBGD Cc1cnn(C)c1S(=O)(=O)NNC(=O)C1CCC1 795315061 BNDWARHJMDCTAW-UHFFFAOYSA-N 272.330 -0.162 50 20 CBGD CCc1csc(CC(=O)NNC(=O)C(=O)NC(C)C)n1 801111465 LXRKZSCSMVLTAY-UHFFFAOYSA-N 298.368 -0.080 50 20 CBGD O=C(CCn1cnccc1=O)NN=c1cc[nH]cc1 816011623 VCRZPFHZKNEPRH-UHFFFAOYSA-N 259.269 -0.406 50 20 CBGD C[C@H](O)CN1CCN(S(=O)(=O)CCl)[C@H](C)C1 820796409 JDGKPEHWKNQKMH-BDAKNGLRSA-N 270.782 -0.101 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCCCN1S(C)(=O)=O 823983363 RLYUHDNXSPWVGZ-NXEZZACHSA-N 293.389 -0.856 50 20 CBGD COC(=O)[C@H]1C[C@H](NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1 824168058 VOYZHRSBEZSUCT-ZYUZMQFOSA-N 299.327 -0.307 50 20 CBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)NC(C)C 824404458 QKGMBRNZPRSLPW-ZETCQYMHSA-N 280.350 -0.947 50 20 CBGD CN(C)C(=O)c1ccc(C=NNC(=O)NCC(=O)O)[nH]1 833687064 CHYMSMMSSNENCS-UHFFFAOYSA-N 281.272 -0.566 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)cc1 847405393 IXFYBPZZWVENJC-WDEREUQCSA-N 286.291 -0.169 50 20 CBGD Cn1ncnc1C(=O)NNC(=O)CNC(=O)OC(C)(C)C 853805533 WHZHTKPNMLETAI-UHFFFAOYSA-N 298.303 -0.899 50 20 CBGD O=C1C[C@H](C(=O)NNC(=S)NCC2CCC2)CCN1 855090216 CQOPBLUYZBUZNQ-SECBINFHSA-N 284.385 -0.192 50 20 CBGD CO[C@@]1(C)CCCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858699059 IDIWULWOVVWCPT-RNCFNFMXSA-N 298.343 -0.493 50 20 CBGD CC1(C)OC[C@H](CNC(=O)c2cc(B(O)O)ccc2F)O1 863876130 OKNZJIJNGWZNHK-VIFPVBQESA-N 297.091 -0.613 50 20 CBGD O=C(N[C@H]1CCN(CC(F)F)C1)c1cccc(B(O)O)c1 863884642 OXKVVKYFSLOQJJ-NSHDSACASA-N 298.098 -0.564 50 20 CBGD COC(=O)c1ccc(N2CC[C@H](B(O)O)C2)c(C#N)n1 864233348 IMAAGEBTORSDHQ-QMMMGPOBSA-N 275.073 -0.207 50 20 CBGD COCCOCC(=O)NNC(=O)C1(SC)CC1 869906813 RWCRPOFJCKEMQL-UHFFFAOYSA-N 262.331 -0.308 50 20 CBGD C#CCN(C)CCCNC(=O)NN(C)C(=O)OC 875623521 ROLSKRVONALUQY-UHFFFAOYSA-N 256.306 -0.146 50 20 CBGD C[C@H](C(=O)NNC(=O)c1cccnn1)N1CCSCC1 882056893 HVSBEJQIWLCUCZ-SECBINFHSA-N 295.368 -0.325 50 20 CBGD CCn1cc(C=NNC(=O)[C@@H](C)OCCOC)nn1 901194755 NONDUCJFUFPNPR-SECBINFHSA-N 269.305 -0.200 50 20 CBGD CN1C(=O)CCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCCO1 908517366 JOQMWWBUCMKDGJ-ZJUUUORDSA-N 283.328 -0.286 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccnn1CCN(C)C 911444662 HDVCNRVHERSNCW-JTQLQIEISA-N 269.349 -0.598 50 20 CBGD CCn1cc(CC(=O)NNC(=O)CN2CCCC2=O)cn1 913732471 XUNQKLHWDXOOCP-UHFFFAOYSA-N 293.327 -0.785 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1C[C@]12CCOC2 913732509 ZBGIIRGBDQLUFW-RNCFNFMXSA-N 281.312 -0.817 50 20 CBGD CC(=O)NCC(=O)NNc1nc(-c2cccnc2)no1 1115973313 WPUGVZKQMMYNMF-UHFFFAOYSA-N 276.256 -0.289 50 20 CBGD O=C(CCn1cncn1)NNC(=O)NCC(F)(F)F 1116895852 CYBJEILZWYSCRL-UHFFFAOYSA-N 280.210 -0.439 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ncn(C)n1 1118125642 XBQQNAGOEPKFEC-HTQZYQBOSA-N 282.304 -0.930 50 20 CBGD CC(C)NC(=O)NNC(=O)Cc1nc(C2CC2)nn1C 1118213670 RJKORGDAPPMXDY-UHFFFAOYSA-N 280.332 -0.026 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccn2ccnc2c1 1253033701 JIUCYOYHLGBDCF-UHFFFAOYSA-N 291.267 -0.662 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H](C)C[S@](C)=O 1254637853 PVGJLUMGVJMEOF-GJEGPGMTSA-N 265.335 -0.880 50 20 CBGD NC(=O)NCCCCC(=O)NNC(=O)C1CCC1 1318489610 UWDXFRWSUZGTMX-UHFFFAOYSA-N 256.306 -0.228 50 20 CBGD CCCCNC(=O)NNC(=O)c1nccnc1C(N)=O 1318912736 GJIGSZJWYYWDCT-UHFFFAOYSA-N 280.288 -0.680 50 20 CBGD C=C[C@@H](COC)NC(=O)NNC(=O)[C@H](C)OCCOC 1320310540 LUUGJOOJCBLQCC-UWVGGRQHSA-N 289.332 -0.431 50 20 CBGD C[C@@H](C(=O)NNc1nccn(C)c1=O)n1ccnc1 1322296851 OYLFWQMYJFWBEN-QMMMGPOBSA-N 262.273 -0.319 50 20 CBGD CNC(=O)C1(C(=O)NNc2ncnc3[nH]cnc23)CC1 1323268298 IDGMABTYTFIHFN-UHFFFAOYSA-N 275.272 -0.678 50 20 CBGD CNS(=O)(=O)[C@@H]1CCCN(C(=O)CCl)C1 1324705968 FXDZCCUEMPEMKB-SSDOTTSWSA-N 254.739 -0.235 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCn1cncn1 1327166291 BXXZDCHKXDXNTO-IUCAKERBSA-N 267.289 -0.759 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)Cc1cccnc1 1330808784 PUUPLNZFODBOJN-JTQLQIEISA-N 267.285 -0.567 50 20 CBGD COc1ccc(CC(=O)NNc2nnc(C)c(O)n2)nc1 1346350841 BYZSGMPSEWDDDB-UHFFFAOYSA-N 290.283 -0.025 50 20 CBGD CC[C@H](C#N)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1349522144 OICPXNVQZUEFHY-SFYZADRCSA-N 288.329 -0.946 50 20 CBGD N[C@@H](CO)C(=O)NNC(=O)c1ccc2ccccc2c1 1574263651 DQFZNMJWRQCYOH-LBPRGKRZSA-N 273.292 -0.080 50 20 CBGD Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CCN2)n1 1579750217 IYXNYIRJOXSXHM-VIFPVBQESA-N 263.301 -0.304 50 20 CBGD Cc1nnc(NNC(=O)N[C@@H]2CCCNCC2)n1C 1579912879 SOXHWCDZHROCTE-SECBINFHSA-N 267.337 -0.108 50 20 CBGD O=C(NC[C@H]1[C@H]2c3ccccc3C[C@H]21)NNC(=O)C(=O)O 1610691558 BVRYASLMVQFQPG-AXFHLTTASA-N 289.291 -0.013 50 20 CBGD O=C(C[C@@H]1C=CCC1)NNC(=O)C(=O)NC1CC1 8402465 RJVFVJJSTYDQOA-MRVPVSSYSA-N 251.286 -0.231 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)CC(=O)NC1CC1 111194933 NDJVVQGGOVVXRS-JTQLQIEISA-N 298.387 -0.221 50 20 CBGD CC(=O)NCC(=O)NCC(=O)NNc1c(C)cccc1F 184349363 DYYZPIGJOVZSGM-UHFFFAOYSA-N 296.302 -0.170 50 20 CBGD CN(C)S(=O)(=O)CCC(=O)NNc1ccncc1 272918202 DVKPSGOLKPXUEY-UHFFFAOYSA-N 272.330 -0.194 50 20 CBGD COCCOC[C@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584950441 CYWKEZFFSCWGME-VIFPVBQESA-N 299.107 -0.713 50 20 CBGD CN(C[C@@H]1CCC[C@H]1O)C(=O)c1cccc(B(O)O)c1 584966491 BENQXDUGAFTNOZ-WCQYABFASA-N 277.129 -0.401 50 20 CBGD C[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@@H]1O 584971097 XFUKOMLWSLFEBL-PELKAZGASA-N 281.092 -0.652 50 20 CBGD CC1(C)CN(C(=O)c2cc(B(O)O)ccc2F)CC[C@H]1O 584979345 RKZNRQMKEJQCPE-GFCCVEGCSA-N 295.119 -0.262 50 20 CBGD C[C@H]1COCC[C@H]1CNC(=O)c1ccc(B(O)O)c(F)c1 584989718 TYLLTVAPEVUZKJ-ONGXEEELSA-N 295.119 -0.092 50 20 CBGD Cc1nnc2n1CCC[C@@H]2NCc1ccc(B(O)O)o1 585026335 LWDLOERQTJMNMS-JTQLQIEISA-N 276.105 -0.516 50 20 CBGD CN(C)c1nccc(CNCc2ccc(B(O)O)o2)n1 585035329 SIZUJVKTSPFPCV-UHFFFAOYSA-N 276.105 -0.895 50 20 CBGD OB(O)c1ccc(CN[C@@H]2C[C@H](O)C23CCC3)c(F)c1 585047368 OCPYQXHSOVHBHD-OLZOCXBDSA-N 279.120 -0.101 50 20 CBGD CC(C)(C#N)c1ccc(S(=O)(=O)NCB(O)O)cc1 585057100 LEZXRYDAFGAMAM-UHFFFAOYSA-N 282.130 -0.222 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCCCN1C 737778870 RTRKCBKBKNYZSJ-VIFPVBQESA-N 270.333 -0.857 50 20 CBGD O=C(NNS(=O)(=O)c1ccc(C(=O)O)o1)c1ccc[nH]1 739454790 VCBIAFDAIJDZIH-UHFFFAOYSA-N 299.264 -0.071 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1cccc([N+](=O)[O-])c1 748004025 QWIWVXZNEPQSPQ-UHFFFAOYSA-N 288.285 -0.413 50 20 CBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccon1 757852903 VQSFHWLFGIUHCR-LURJTMIESA-N 288.285 -0.738 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCN2C(=O)CC[C@H]2C1 766273133 UYVKOMPCGRZOCP-JTQLQIEISA-N 296.371 -0.514 50 20 CBGD COC(=O)[C@H](NCC(=O)NNC(=O)C(C)(C)C)C(C)C 781916091 PLJQUCGIJKUYKL-SNVBAGLBSA-N 287.360 -0.033 50 20 CBGD CNC(=O)NNC(=O)[C@H](O)Cc1cccc(OC)c1 785410309 WPBHPQYZMSTHMF-SNVBAGLBSA-N 267.285 -0.441 50 20 CBGD NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CC(=O)NNC(=O)C1CC1 787331467 MKWMRUKHKICRHY-UMNHJUIQSA-N 294.355 -0.870 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccnc(-n2ccnc2)c1 787950268 SYKYRROMVSPHDV-UHFFFAOYSA-N 289.295 -0.201 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H](C)OC 790064162 VDJVMMXIXOHSPW-QMMMGPOBSA-N 262.306 -0.042 50 20 CBGD COC(=O)N(C)NC(=O)CNC(=O)c1ccncc1 804124352 RNXJKNKJFHSOMJ-UHFFFAOYSA-N 266.257 -0.459 50 20 CBGD CN(C)CC(=O)NNC(=O)N=c1ccnc2n(C)[nH]cc1-2 806492317 FHFRIGQTVIMKQH-UHFFFAOYSA-N 291.315 -0.944 50 20 CBGD C[C@H](CC(=O)NNC(=O)C(=O)N1CCCC1)n1cccn1 819200295 NEDDPYBFNQZKQO-SNVBAGLBSA-N 293.327 -0.396 50 20 CBGD CCNC(=O)CN1CCCN(S(=O)(=O)CCl)CC1 820786804 WORCYYOLZNQBAC-UHFFFAOYSA-N 297.808 -0.344 50 20 CBGD C[C@@H](N)C[C@@H](C)NC(=O)NNC(=O)C(=O)N1CCCC1 831203087 QPSSFNSSKHDEMU-RKDXNWHRSA-N 285.348 -0.935 50 20 CBGD CSCCNC(=S)NNC(=O)c1ncc[nH]1 831575696 UBZMYSVRXSGVGZ-UHFFFAOYSA-N 259.360 -0.118 50 20 CBGD O=C(O)NCCC(=O)NNC(=O)Cc1ccncc1 832599784 ZJZJOLDIJGEBKK-UHFFFAOYSA-N 266.257 -0.571 50 20 CBGD Cc1cccc(C(=O)NNC(=O)Cc2n[nH]c(C)n2)n1 834816170 QKPDEFDQHSZCQA-UHFFFAOYSA-N 274.284 -0.180 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCn1ccnn1 843645458 RFDBYOPJKQNGGF-IUCAKERBSA-N 267.289 -0.759 50 20 CBGD O=C(NNS(=O)(=O)CCOCC1CC1)c1cc[nH]n1 849310461 DLBMIFDOWYBAFO-UHFFFAOYSA-N 288.329 -0.600 50 20 CBGD CN(C)c1ncc(C=NNC(=O)c2cc[nH]n2)n1C 853391920 DLNIUCLXFFJKPH-UHFFFAOYSA-N 261.289 -0.027 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)Cc1ncc[nH]1 854388255 DECPPLOXFVNRGA-UHFFFAOYSA-N 284.316 -0.111 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)c1cc[nH]n1 855358681 SCPQEPSSFKMQSG-JTQLQIEISA-N 261.285 -0.732 50 20 CBGD COCc1ccccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862452054 SDDMVUGLDHGRBG-LLVKDONJSA-N 291.307 -0.127 50 20 CBGD COc1cccc(F)c1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862455797 JPJCPNDHIUJPJE-QMMMGPOBSA-N 295.270 -0.126 50 20 CBGD CCC(C)(C)N[C@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862461474 POAPAFLWMQLLDL-RKDXNWHRSA-N 284.360 -0.421 50 20 CBGD COC[C@H](C)[C@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862463171 ZHIXUDHKQLJPPH-XHNCKOQMSA-N 271.317 -0.669 50 20 CBGD Cn1c(Cl)cnc1C=NNC(=O)[C@H]1CCC(=O)N1 863150983 BOIXHGBLYOFGDQ-ZCFIWIBFSA-N 269.692 -0.198 50 20 CBGD C#CC1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 863884274 FUFLMALKJGMXFW-UHFFFAOYSA-N 257.098 -0.148 50 20 CBGD N#CCN1CCC(NCc2ccc(B(O)O)cc2)CC1 863889195 UVFRQDDALJUKCQ-UHFFFAOYSA-N 273.145 -0.556 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CCCN(CC(F)F)C1 864992464 IDBJNLTXTVYWIR-ZETCQYMHSA-N 264.276 -0.076 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@@H](OC)C1 878970306 NCHSBNVLSGUTSZ-PSASIEDQSA-N 259.306 -0.763 50 20 CBGD O=C(NNC(=O)C1CCOCC1)c1cnsn1 883061802 IFVMRPBMIUPAJZ-UHFFFAOYSA-N 256.287 -0.274 50 20 CBGD COc1cc(F)cc(NNC(=O)CN2CCNC(=O)C2)c1 901169079 OYWBBDKQUFMYCM-UHFFFAOYSA-N 296.302 -0.291 50 20 CBGD CCCS(=O)(=O)CC(=O)NN(C)C[C@H](C)O 910166963 AELXYMDGPFPHLJ-QMMMGPOBSA-N 252.336 -0.845 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)NC[C@H]1COCCO1 918106774 IVQHMDLNBNRNSU-LURJTMIESA-N 285.222 -0.315 50 20 CBGD CN(C)C(=O)NNC(=O)c1cccnc1N1CCOCC1 1115910485 JSKDAILQSLDLEO-UHFFFAOYSA-N 293.327 -0.166 50 20 CBGD O=C(NNC(=O)N1C[C@H]2[C@H](C1)C2(F)F)c1cn[nH]c1 1261792248 QYEUSGFYBYXSHG-BQBZGAKWSA-N 271.227 -0.039 50 20 CBGD CN1CC[C@@H]2CN(C(=O)NNC(=O)c3cccnn3)C[C@@H]21 1262033293 WKNOFKMDOJMECS-KOLCDFICSA-N 290.327 -0.533 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCO)cc1 1320358044 LZSHGJIXBGFPPK-UHFFFAOYSA-N 265.269 -0.537 50 20 CBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)CCO)cc1 1321151201 CMCQZDVRHHRANH-UHFFFAOYSA-N 295.295 -0.446 50 20 CBGD Cc1cccnc1NNC(=O)c1cn(C)c(=O)nc1O 1321853643 XBYOEVVBUHPXDY-UHFFFAOYSA-N 275.268 -0.054 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)COC(F)F)nc21 1322446662 QILLKNPDSDHPBB-UHFFFAOYSA-N 288.214 -0.249 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@@H]1CCc2c(nnn2C)C1 1326837151 NYVSBYTWHRQULN-MRVPVSSYSA-N 280.332 -0.341 50 20 CBGD CCNC(=O)NNC(=O)c1c(Br)nnn1C 1327658763 ZNMHKFGNOZNUKE-UHFFFAOYSA-N 291.109 -0.459 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@](O)(CC#N)C1 1329274000 VPUZTFOKAGULPZ-JOYOIKCWSA-N 268.317 -0.717 50 20 CBGD CN1CCC(C(=O)NNC(=O)CN2CCCC2=O)CC1 1332273167 FUPWVYVVGCMEFR-UHFFFAOYSA-N 282.344 -0.902 50 20 CBGD C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](B(O)O)C1 1351730315 WIHVTEHASLFPOG-BDAKNGLRSA-N 275.139 -0.986 50 20 CBGD O=C(NNC(=O)[C@H]1[C@H]2CCNC[C@H]21)c1cccnn1 1580736263 QDDBQGQUCHFVKD-XKSSXDPKSA-N 261.285 -0.907 50 20 CBGD C[C@H](CC(=O)O)CC(=O)NNC(=O)[C@H]1CCCO1 1592392013 UMCRIWJSQPNRFF-JGVFFNPUSA-N 258.274 -0.186 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 1592878435 CHKQMIMYMYQANJ-UHFFFAOYSA-N 295.234 -0.849 50 20 CBGD O=C(O)CCCCNC(=O)NNC(=O)c1ncon1 1595043168 JCGLNGAYJMTRFO-UHFFFAOYSA-N 271.233 -0.732 50 20 CBGD CS(=O)(=O)c1ccc(C=NNC(=O)NCC(=O)O)cc1 1599770825 XXGQUQVTBBAREH-UHFFFAOYSA-N 299.308 -0.192 50 20 CBGD N#Cc1ccc(CNC(=O)NNC(=O)C(=O)O)cc1F 1601101349 LKYDPPORRYBKAM-UHFFFAOYSA-N 280.215 -0.388 50 20 CBGD CNC(=S)N(C)NC(=O)c1cccn(CC(=O)O)c1=O 1604249037 DGVQJNYLZOEZRG-UHFFFAOYSA-N 298.324 -0.986 50 20 CBGD COCCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 42842954 RGYNKMYSLIRFLY-VIFPVBQESA-N 265.335 -0.986 50 20 CBGD C=C[C@@H](C)NC(=O)NNC(=O)CNC(=O)c1ccco1 119311695 LORXQFVCDSLJDH-MRVPVSSYSA-N 280.284 -0.086 50 20 CBGD Cn1cnn(CC(=O)NNc2ccnc(F)c2)c1=O 182404275 NLCFQJDPCMMYGL-UHFFFAOYSA-N 266.236 -0.741 50 20 CBGD Cc1cc(C(=O)NNC(=O)CO)cc([N+](=O)[O-])c1 182762487 PGUAUMKAJSVXOL-UHFFFAOYSA-N 253.214 -0.343 50 20 CBGD Cc1nn(C)c2sc(C(=O)NNC(=O)CO)cc12 182764488 YVFFWLQCIDZYBD-UHFFFAOYSA-N 268.298 -0.303 50 20 CBGD CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NNC(=O)N(C)C 193944968 TVQDSSIYFYMQLT-LURJTMIESA-N 298.265 -0.008 50 20 CBGD CNC(=O)NNC(=O)CN1Cc2ccccc2C1=O 264332356 VSSZNVCLRVSHCJ-UHFFFAOYSA-N 262.269 -0.397 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCCC(=O)N1 270321690 KOBYNYAAEYQSDI-SECBINFHSA-N 298.343 -0.893 50 20 CBGD COC(=O)NNC(=O)COc1ccc(C(N)=O)cc1 495447427 GJVGHMKVCYADML-UHFFFAOYSA-N 267.241 -0.449 50 20 CBGD O=C(NCCCOCC1CC1)c1ccc(B(O)O)cc1 584925443 GYPGDASQXMZFMK-UHFFFAOYSA-N 277.129 -0.087 50 20 CBGD O=C(NCC1(CF)CC1)c1ccc(B(O)O)c(F)c1 584990571 ZAIDZSQBPHFOIC-UHFFFAOYSA-N 269.056 -0.015 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC2(C1)CC2(F)F 585004244 AOSVSUYTWPFIJJ-UHFFFAOYSA-N 285.030 -0.013 50 20 CBGD COCCN1CC[C@H](NCc2ccc(B(O)O)cc2)C1 585030315 YUVKDOQSJFAOOI-AWEZNQCLSA-N 278.161 -0.823 50 20 CBGD CN1CC[C@H](CNCc2ccccc2B(O)O)CC1=O 585047427 BYIIVDUMJMQYDN-NSHDSACASA-N 276.145 -0.676 50 20 CBGD N#Cc1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cc1 585058297 XFBNDCFYVUUOIO-SNVBAGLBSA-N 280.114 -0.204 50 20 CBGD O=C(O)C1(C(=O)N2CC[C@@H](B(O)O)C2)CC=CC1 585068226 YWUABMVEUOQBPU-MRVPVSSYSA-N 253.063 -0.517 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2ccn(C)n2)n1 727366366 VZPWAERDFWUOBH-UHFFFAOYSA-N 276.300 -0.305 50 20 CBGD Cn1ccc(C(=O)NNC(=O)COc2ccccc2O)n1 730780214 KMKYGKRMDCMSMT-UHFFFAOYSA-N 290.279 -0.034 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)C[C@H](C)C(=O)OC 733870282 PXXSDTJJWJRLTD-DTWKUNHWSA-N 273.333 -0.327 50 20 CBGD CC(C)(C)C(=O)NNC(=O)C(C)(C)NS(C)(=O)=O 742049377 ZQMOHZLTJFSJDJ-UHFFFAOYSA-N 279.362 -0.492 50 20 CBGD O=C(CN1CCCC1=O)NN=Cc1cnc2cnccn12 746369175 TWGIRMUNDABULC-UHFFFAOYSA-N 286.295 -0.198 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@]1(C)CCOC1 754883328 KRLOYZUBGGUBAJ-NSHDSACASA-N 257.290 -0.915 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cncn1C 755585362 SKZBJZZNYPFMQH-NSHDSACASA-N 279.344 -0.162 50 20 CBGD NC(=O)c1ccc(NNC(=O)CN2CCCCC2=O)nn1 757408331 RKIGOWMBSVBMCI-UHFFFAOYSA-N 292.299 -0.969 50 20 CBGD COC(=O)c1cnc(SCC(=O)NNC(=O)C2CC2)[nH]1 788506195 QXMUILSLOAEBLM-UHFFFAOYSA-N 298.324 -0.154 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1coc(C)n1 789004611 VLVLKARVWSIUHP-ZETCQYMHSA-N 288.329 -0.239 50 20 CBGD Cc1cc[nH]c1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 798108960 KSHNFIYKLZFMAY-SSDOTTSWSA-N 288.329 -0.978 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 798306650 PTBAMDQQGWUCIB-QMMMGPOBSA-N 282.369 -0.321 50 20 CBGD Cn1nncc1C(=O)NNC(=O)c1ccc(Cl)nc1 798895241 VMZGDKIIWOZTMI-UHFFFAOYSA-N 280.675 -0.062 50 20 CBGD Cn1[nH]cnc1=NC(=O)NNc1ncncc1F 814677728 KPIMTKGMNRTXKP-UHFFFAOYSA-N 252.213 -0.685 50 20 CBGD CN(C)CC(=O)NN=C1CCCc2nc(N)ncc21 814832669 UFQULIXJYIQCKK-UHFFFAOYSA-N 262.317 -0.223 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)NCCC(=O)O)c1 819106523 VWMRAVKYDSHGQQ-UHFFFAOYSA-N 276.252 -0.023 50 20 CBGD CCN(CCO)NC(=O)c1ccc(C(=O)OC)[nH]1 823889100 ICOICMFMKUHETF-UHFFFAOYSA-N 255.274 -0.240 50 20 CBGD CC(=NNC(=O)c1cc(C)[nH]n1)c1cn(CC(=O)O)nn1 825804861 ZNLRIQKOZAVLDF-UHFFFAOYSA-N 291.271 -0.452 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H](NC(=O)O)C(C)C)n[nH]1 829956998 RFUIADGVKIPWRF-MRVPVSSYSA-N 283.288 -0.229 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CNC(=O)C1CC1 843973144 JYACIFODFADUIO-CBAPKCEASA-N 269.301 -0.915 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)[C@@H]1CCNC1=O 854510704 RMXNMTNGRZYRSF-SNVBAGLBSA-N 291.307 -0.479 50 20 CBGD CCOC(=O)[C@@H](CC)C(=O)NNC(=O)c1cc[nH]n1 855354638 GQXOOIOYQFNYJJ-ZETCQYMHSA-N 268.273 -0.240 50 20 CBGD Cn1nncc1NNC(=O)C(C)(C)N1CCOCC1 857270718 MAQXMWWRZNFBCQ-UHFFFAOYSA-N 268.321 -0.631 50 20 CBGD Cc1nonc1CC(=O)NNc1ncncc1F 857511203 DYCOZROQNWJWOQ-UHFFFAOYSA-N 252.209 -0.007 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CO[C@@H](C)C1 869906527 NJMUZPAPSJFYFX-DTWKUNHWSA-N 260.290 -0.778 50 20 CBGD CC(C)C[C@H](NCc1cccc(B(O)O)c1)C(=O)O 901639192 ATRGFJUVUWEMSM-LBPRGKRZSA-N 265.118 -0.045 50 20 CBGD COc1ccc(NNC(=O)[C@@H]2OCCN(C)C2=O)nc1 907590942 SJHCLKIBZPGRTI-JTQLQIEISA-N 280.284 -0.610 50 20 CBGD CC(=O)N[C@@H](CC(C)C)C(=O)NN(C)C[C@@H](C)O 910151675 IEYBZVURGSFFLM-KOLCDFICSA-N 259.350 -0.119 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NNC(=O)C1CC1 913248066 XHNXXIPXCIPEGO-SECBINFHSA-N 255.318 -0.488 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc(O)nc1 920434259 XLEBJEWSHACIRK-UHFFFAOYSA-N 278.268 -0.829 50 20 CBGD O=C1CSC[C@@H](C(=O)NNc2ccnc(F)c2)N1 935307950 SCTVFAZWCNMICJ-ZETCQYMHSA-N 270.289 -0.105 50 20 CBGD CS(=O)(=O)c1cccc(NNC(=O)c2cnn[nH]2)c1 1116491689 WXBJUFIGCSIQOW-UHFFFAOYSA-N 281.297 -0.035 50 20 CBGD C#CCOCCNC(=O)NNC(=O)c1cn[nH]c1 1261790727 SUZYDBUEPJEYJP-UHFFFAOYSA-N 251.246 -0.997 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CN3CCN2C[C@H]3C)o1 1263765702 ZXTZNQXHWAKTMZ-MWLCHTKSSA-N 292.339 -0.263 50 20 CBGD Cn1ccc(CCC(=O)NNC(=O)Cc2cc[nH]n2)n1 1324285504 FDPLXDCCBNRPHP-UHFFFAOYSA-N 276.300 -0.534 50 20 CBGD COc1cccnc1CC(=O)NNC(=O)C(=O)NC1CC1 1325091619 IKVVWTYYDSXGKL-UHFFFAOYSA-N 292.295 -0.941 50 20 CBGD CN(NC(=O)Cn1nc2n(c1=O)CCCCC2)C1CC1 1326170823 VGPNROCUFVNZGI-UHFFFAOYSA-N 279.344 -0.103 50 20 CBGD Cc1occc1C(=O)NCC(=O)NNc1cnnn1C 1326341046 XYCDJNSNYKHSSR-UHFFFAOYSA-N 278.272 -0.410 50 20 CBGD CC(C)C(=O)NNS(=O)(=O)N=S(C)(C)=O 1326406625 MLFUEEBIMKDPRZ-UHFFFAOYSA-N 257.337 -0.764 50 20 CBGD O=C(NNC(=O)c1cnc2n1CCC2)C(=O)N1CCCC1 1327871151 BACBNOCDYDINOR-UHFFFAOYSA-N 291.311 -0.787 50 20 CBGD O=C(NNc1ccncn1)[C@H]1CCCS1(=O)=O 1329084653 QGKAFZGWNFWBSN-SSDOTTSWSA-N 256.287 -0.503 50 20 CBGD C[C@@H](C(=O)NNC(=O)Cc1cccnc1)[C@H]1CCC(=O)N1 1329223310 OCWCDRAGIIYJOB-MWLCHTKSSA-N 290.323 -0.314 50 20 CBGD Cc1c(CC(=O)NNC(=O)Cc2cc[nH]n2)cnn1C 1330355568 ADCHVTBHGZBPDQ-UHFFFAOYSA-N 276.300 -0.616 50 20 CBGD Cn1ccnc(NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)c1=O 1335551543 GDBUZQVDWMTEEQ-FTLITQJKSA-N 262.269 -0.552 50 20 CBGD COC(=O)C(=O)NNC(=O)Nc1ccc2c(c1)OCCO2 1339863140 UERZNVLDYKYPAQ-UHFFFAOYSA-N 295.251 -0.217 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)C(=O)O 1588843173 CTKJREUOVJWICL-HTQZYQBOSA-N 288.300 -0.168 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1C[C@@H](C(=O)O)C1 1591877722 TXCBGRVEWPCLGL-KNVOCYPGSA-N 259.262 -0.784 50 20 CBGD O=C(O)[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 1595196999 WECVSKWQBQYFMJ-JTQLQIEISA-N 277.085 -0.697 50 20 CBGD O=C(O)C(=O)NN[C@H](C(=O)NC1CC1)c1ccc(F)cc1 1601636258 XTUFALDERJUUON-JTQLQIEISA-N 295.270 -0.149 50 20 CBGD O=C(O)C(=O)NN=Cc1ccc(-n2cncn2)c(F)c1 1601636295 ZBJOMMNKWKKUFO-UHFFFAOYSA-N 277.215 -0.059 50 20 CBGD CN(C)c1nccc(NNC(=O)c2cc(C(=O)O)no2)n1 1606069126 XCBSYMOEDACDLF-UHFFFAOYSA-N 292.255 -0.014 50 20 CBGD C=C(C)CN1CCC(NC(=O)NNC(=O)C(=O)O)CC1 1609248406 UCMVHLIKAOVMMZ-UHFFFAOYSA-N 284.316 -0.558 50 20 CBGD C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1800451758 CSEMNFVZWXERRO-OEIWMXHLSA-N 288.706 -0.256 50 20 CBGD NC(=O)COc1ccc(C(=O)NNC(=O)C2CC2)cc1 26969932 IFTNNLOCPKGPJH-UHFFFAOYSA-N 277.280 -0.278 50 20 CBGD CCOC(=O)/C(C#N)=C/NNC(=O)[C@@H]1CCCO1 48629138 UMBJIBRQJFKQHI-FLOXNTQESA-N 253.258 -0.243 50 20 CBGD O=C(CN1CSCC1=O)NNC(=O)NC1CC1 49128809 SWIYUBIVNPJTOT-UHFFFAOYSA-N 258.303 -0.988 50 20 CBGD CCc1ccc(C(=O)NNC(=O)Cn2cnnn2)cc1 69483531 RQVIDNYOZNJASA-UHFFFAOYSA-N 274.284 -0.303 50 20 CBGD CC(C)S(=O)(=O)CC(=O)NNC(=O)NCC1CC1 139291250 IVNHWYOWJQXACI-UHFFFAOYSA-N 277.346 -0.450 50 20 CBGD NC[C@H]1CCCN1CC(=O)NNC(=O)c1ccccc1 156169596 RPUIGWXAPRHNPX-GFCCVEGCSA-N 276.340 -0.129 50 20 CBGD CN(NC(=O)CCNC(=O)c1ccc(F)cc1)C(N)=O 272142885 DUZOGNLGDKRUJM-UHFFFAOYSA-N 282.275 -0.013 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1O[C@H](C)C[C@@H]1C 282744714 RYXMJAQIUPAJAA-DJLDLDEBSA-N 271.317 -0.528 50 20 CBGD O=C(COCC1CC1)NNC(=O)C(=O)N1CCCC1 299605927 WRJPEITVONOBGT-UHFFFAOYSA-N 269.301 -0.817 50 20 CBGD CN(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(B(O)O)cc1 585001346 WKTLGANGOBIFTC-UONOGXRCSA-N 290.172 -0.031 50 20 CBGD C[C@@H](O)C[C@@H](C)CNCc1ccc(B(O)O)cc1 585025260 PSFPZSOFOWYTNM-GHMZBOCLSA-N 251.135 -0.137 50 20 CBGD CNC(=O)[C@H](NCc1ccc(B(O)O)cc1F)C(C)C 585029869 KKHNYUXUEDTXNG-GFCCVEGCSA-N 282.124 -0.634 50 20 CBGD OB(O)c1ccc(CNCc2ccn(CC(F)F)n2)o1 585043871 VBHOMWXKQABNGJ-UHFFFAOYSA-N 285.059 -0.289 50 20 CBGD OB(O)c1ccc(CNC[C@@]2(O)C[C@H]3C=C[C@H]2C3)o1 585046956 DWRXMWSXRKZFLG-KWBADKCTSA-N 263.102 -0.624 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@@H]1C(=O)O)c1ccccc1O 739453532 KKVRDYVOPNBEST-YUMQZZPRSA-N 264.237 -0.126 50 20 CBGD COC[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CCO1 744405480 SQUPTADETOCJJN-SNVBAGLBSA-N 287.360 -0.473 50 20 CBGD CN(C)C(=O)NNC(=S)NCCCN1CCOCC1 745730005 LDFXTENJFIZZHV-UHFFFAOYSA-N 289.405 -0.641 50 20 CBGD CC[C@H](C)OCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 751563226 QLSVJAOGTMXWOZ-IUCAKERBSA-N 292.357 -0.616 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C1(O)CCCC1 755010509 AICXLHKFUWDENI-UHFFFAOYSA-N 285.344 -0.256 50 20 CBGD Cn1cnc(C(=O)NNC(=O)CNC(=O)c2ccco2)c1 758959327 BHFJCKWHPQGTJG-UHFFFAOYSA-N 291.267 -0.796 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccccc1 764316534 AGFKFQOYIOXEHV-UHFFFAOYSA-N 265.269 -0.191 50 20 CBGD CCNC(=O)NNC(=O)C(=O)N1CCC[C@@H](C)C1 767722879 NIAWDBHSSDLOPO-MRVPVSSYSA-N 256.306 -0.405 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1cnn(C)c1 779351874 WQDVVVRCJHBQQD-MRVPVSSYSA-N 285.304 -0.376 50 20 CBGD CC(C)(O)CCC(=O)NNC(=O)N1CCOCC1 787267310 OIOSZSJAAKGGCX-UHFFFAOYSA-N 259.306 -0.390 50 20 CBGD Cc1cc(=O)c(C(=O)NNC(=O)CN(C)C)cn1C1CC1 806773004 ZOVGADSWYNDVSB-UHFFFAOYSA-N 292.339 -0.186 50 20 CBGD C#Cc1cncc(C(=O)NNC(=O)Cc2cc[nH]n2)c1 806808723 LWAQFERXBUHYNK-UHFFFAOYSA-N 269.264 -0.210 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O 809749402 GWMXIHSSRIHLME-UWVGGRQHSA-N 278.264 -0.570 50 20 CBGD CO[C@@H]1COC[C@H]1NC(=O)NNC(=O)[C@@H]1CCCCO1 827473019 AXIFVZQKYWTMMW-KXUCPTDWSA-N 287.316 -0.700 50 20 CBGD CCCN1CCCN(CC(=O)NNC(=O)C(C)C)CC1=O 829152433 RLYAGJHSVMELCR-UHFFFAOYSA-N 298.387 -0.266 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccn(C)c(=O)c1 843639938 AFFJFHNFQNTVFR-PSASIEDQSA-N 279.296 -0.429 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnns1 843642992 HIPDMGZENRGZMD-WDSKDSINSA-N 256.287 -0.276 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)COC1CCOCC1 843650306 AZAUNSUEYURDFL-KOLCDFICSA-N 286.328 -0.246 50 20 CBGD NS(=O)(=O)C1(C(=O)NCC(Cl)Cl)CC1 846145574 OUDXZWRBWRAYPP-UHFFFAOYSA-N 261.130 -0.273 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CC[C@@H]1C(N)=O 847285593 OVKPMBINKVARSL-BQBZGAKWSA-N 256.331 -0.821 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=O)c1ccccn1 854121685 IZLLSHYCCFXLNX-SECBINFHSA-N 253.258 -0.496 50 20 CBGD Cc1nccnc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C 855005934 KLRKLHSDQNVFHX-IUCAKERBSA-N 264.285 -0.029 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@H]1CCNC1=O)C1CC1 855095621 NGYKWSVPBRWLKD-SVRRBLITSA-N 270.358 -0.584 50 20 CBGD CO[C@@H](CNC(=O)NNC(=O)c1cn[nH]c1)C(F)(F)F 858218078 LUXSYWVNZGOQJH-LURJTMIESA-N 295.221 -0.069 50 20 CBGD COCOCCCNC(=O)c1ccc(B(O)O)cc1 863883506 CJMKOFGZMQLZRK-UHFFFAOYSA-N 267.090 -0.893 50 20 CBGD O=C(/C=C/CN1CCOCC1)NNC(=O)c1cn[nH]c1 869385245 LQUJRKMDLMRFOT-OWOJBTEDSA-N 279.300 -0.941 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CCCCO1 869908794 XRUVYGBGHYBJAL-VIFPVBQESA-N 260.290 -0.634 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H](C(C)C)N(C)C 869909239 NWYZUJZGGPUUGZ-NSHDSACASA-N 275.349 -0.617 50 20 CBGD CN(CC(=O)N1CCOCC1)S(=O)(=O)CCCCl 881748493 ZZOTVYABJUBXNV-UHFFFAOYSA-N 298.792 -0.264 50 20 CBGD Cc1nc([C@H](C)NCc2cccc(B(O)O)c2)n[nH]1 894777039 IGAFKWNEQQISCG-QMMMGPOBSA-N 260.106 -0.356 50 20 CBGD C#CCCCC(=O)NNS(=O)(=O)C[C@H]1CCCO1 901966807 STCCMJUFOWZRTQ-SNVBAGLBSA-N 274.342 -0.081 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H](C)NC(=O)C(C)(C)C 910175353 NFGLCKFCFZEIBU-IUCAKERBSA-N 259.350 -0.119 50 20 CBGD CC(C)(C)C(=O)NNC(=O)N1CCC(C(N)=O)CC1 915884021 ORQDSZYSFMZKTF-UHFFFAOYSA-N 270.333 -0.029 50 20 CBGD CCN(CCC(=O)NC)CC(=O)NNC(=O)C(C)C 933862712 MPOZRSGMSGRNNF-UHFFFAOYSA-N 272.349 -0.752 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCc1cccc(O)c1 1116188106 YYDSIUDRNPCRLM-UHFFFAOYSA-N 281.268 -0.562 50 20 CBGD C[C@@H](C(=O)NNc1ccc(C(N)=O)nn1)c1cnn(C)c1 1116250830 IGTIXYFJVGXRLE-SSDOTTSWSA-N 289.299 -0.444 50 20 CBGD CC(C)NC(=O)NNC(=O)C(=O)c1cccn1C 1117666184 RXVYQBHOOYUNFG-UHFFFAOYSA-N 252.274 -0.053 50 20 CBGD Cn1cc(C(=O)NNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cn1 1118241564 ZAWDDUIAFMSCTD-BBBLOLIVSA-N 279.300 -0.316 50 20 CBGD CS(=O)(=O)CCC(=O)NNC(=O)NCC1CC1 1118571177 FPOXXKOGPWRNRR-UHFFFAOYSA-N 263.319 -0.839 50 20 CBGD Cc1nnc(NNC(=O)C2=COCCO2)nc1O 1317760770 UKAUFGWTANIOJE-UHFFFAOYSA-N 253.218 -0.783 50 20 CBGD CC(=O)NCC1CCN(CC(=O)NNC(=O)C2CC2)CC1 1319402504 AECBUVWPRYXUHV-UHFFFAOYSA-N 296.371 -0.608 50 20 CBGD COCC(=O)NCCC(=O)NNc1nc(C)cc(C)n1 1322856195 GXPUSIXQSCNFIB-UHFFFAOYSA-N 281.316 -0.311 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)OC2 1323737701 WDIVPRULJAZKHC-UHFFFAOYSA-N 291.263 -0.147 50 20 CBGD CNC(=O)CCCCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1329546273 BMDSGTBOZJELSP-VHSXEESVSA-N 285.344 -0.135 50 20 CBGD COCCOCC(=O)NNC(=O)CSCC(C)=O 1329976642 JKPFPEHQFWNOGY-UHFFFAOYSA-N 278.330 -0.881 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CCO[C@H](C)C1 1330604028 PSDYQAIMJVGHGP-ZJUUUORDSA-N 274.317 -0.388 50 20 CBGD O=C(NC[C@@H]1CCCO1)NNC(=O)C1CCOCC1 1331938650 MBVJBQMGBJFYNK-JTQLQIEISA-N 271.317 -0.078 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CN2CCCC2=O)c(O)n1 1332707015 KUASESGJGNBYCA-UHFFFAOYSA-N 292.295 -0.521 50 20 CBGD C[C@H]1C[C@H](C(=O)NNC(=O)CN2CCCC2=O)CCO1 1332708349 UIQYBVSMXVEJET-VHSXEESVSA-N 283.328 -0.429 50 20 CBGD Cc1ccc(C(=O)NNC(=O)N[C@H](C)c2nnnn2C)o1 1342040181 RZHFNWWGIODEPQ-SSDOTTSWSA-N 293.287 -0.183 50 20 CBGD CC(C)C(=O)NNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1 1590938628 IBAMWKGFGFRTFV-BWZBUEFSSA-N 258.274 -0.332 50 20 CBGD CO[C@](C)(C(=O)O)C(=O)NN=c1cc[nH]c(C)c1 1593926092 BENWNSZYZIHDHJ-NSHDSACASA-N 253.258 -0.255 50 20 CBGD O=C(O)Cn1cccc1C=NNC(=O)C(=O)N1CCCC1 1595158888 YMXSFTVWPVOPNV-UHFFFAOYSA-N 292.295 -0.355 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1601370086 QAUMNCPOPPJURG-ZJUUUORDSA-N 293.279 -0.596 50 20 CBGD O=C(NCCn1cc(C(=O)O)nn1)NNc1ccccn1 1601517014 WLVOMZKLEAWVRP-UHFFFAOYSA-N 291.271 -0.302 50 20 CBGD CNC(=O)CC(=O)NNc1ccc(C(=O)O)cc1OC 1610139578 UKNOWRXHDWURPA-UHFFFAOYSA-N 281.268 -0.027 50 20 CBGD CCOC(=O)NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 44009389 PMRNEJFRORMXOW-ZETCQYMHSA-N 255.274 -0.225 50 20 CBGD C#CCNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 48845556 GMCGNIKXSUGNPO-NSHDSACASA-N 275.264 -0.210 50 20 CBGD CCNC(=O)NNC(=O)CNC(=O)NC1CCCCC1 49183183 GKIXTANSQDWOBT-UHFFFAOYSA-N 285.348 -0.031 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCn2ccccc2=O)[nH]n1 151201450 FADVDHFMZXELLX-UHFFFAOYSA-N 289.295 -0.269 50 20 CBGD CCN1CCC[C@H]1CNC(=O)NNC(=O)c1cnn(C)c1 175393823 IISNOIIKLVGXES-NSHDSACASA-N 294.359 -0.152 50 20 CBGD COCC(=O)N(C)CC(=O)NNC(=O)c1ccc(C)o1 270414162 YFEPHFVQFVWTFT-UHFFFAOYSA-N 283.284 -0.546 50 20 CBGD O=C(NNC(=O)C1(O)CCC1)[C@@H]1COc2ccccc2O1 273314812 XUJKAGOBKZGNBV-NSHDSACASA-N 292.291 -0.111 50 20 CBGD CC[C@](C)(C#N)C(=O)NNC(=O)N1CCN(C)CC1 287982202 NLEKRIZXWWGZFB-GFCCVEGCSA-N 267.333 -0.086 50 20 CBGD CCO/C=C(/C#N)C(=O)N(CC)[C@H]1CC(=O)NC1=O 491129105 FZXVTEXYJBJXFA-FUOZMLNRSA-N 265.269 -0.306 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@@H](CO)C1 584930711 BQGSKVZDIXXWJT-SECBINFHSA-N 281.092 -0.650 50 20 CBGD CC[C@H](C)[C@H](O)CNC(=O)c1ccc(B(O)O)cc1 584961148 ZNDZBEXLZKAMHR-JOYOIKCWSA-N 265.118 -0.497 50 20 CBGD C[C@H]1[C@@H](NC(=O)c2cccc(B(O)O)c2)CCCN1C 584975064 YFUCJEJGAFVGAQ-GWCFXTLKSA-N 276.145 -0.421 50 20 CBGD CCS(=O)(=O)C[C@H](C)NCc1ccc(B(O)O)cc1 585023298 FZDQJGBVQZKVCO-JTQLQIEISA-N 285.174 -0.721 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)cc1F)C(=O)N(C)C 585034970 WHPNRTXQABYEQY-MRVPVSSYSA-N 268.097 -0.928 50 20 CBGD CC[C@@H]1CN(CCNCc2ccc(B(O)O)o2)CCO1 585038450 FTHHPDPNOYNLPM-LLVKDONJSA-N 282.149 -0.840 50 20 CBGD CN(C)CC(=O)NN=C1C(=O)Nc2ccc([N+](=O)[O-])cc21 727649226 BOXZTBCOMDMUOB-UHFFFAOYSA-N 291.267 -0.071 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@H](COC)C1 741796344 YRRMZSPPHDJEBG-ZJUUUORDSA-N 273.333 -0.721 50 20 CBGD CO[C@H](C)C(C)=NNC(=O)N[C@H]1CCS(=O)(=O)C1 763164712 YOLLOKSEYLDNDF-BDAKNGLRSA-N 277.346 -0.117 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCCS(C)(=O)=O)n[nH]1 765588183 JPRNWBZEVYDNOQ-UHFFFAOYSA-N 288.329 -0.696 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCCC(C)(C)O 776259525 NZWKGUQGVCFJBR-SECBINFHSA-N 291.348 -0.471 50 20 CBGD COC/C=C/C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 792853333 DBULNWMYLPSUEI-YEZKRMTDSA-N 276.358 -0.319 50 20 CBGD CO[C@@H](C(=O)NNC(=O)c1c[nH]nc1C)c1cnn(C)c1 798960437 WYFWQIKHWJGJQS-SNVBAGLBSA-N 292.299 -0.400 50 20 CBGD C[C@]1(NCC(=O)NNC(=O)c2cccs2)CCOC1=O 810095569 POMKCXZTBGKFQI-LBPRGKRZSA-N 297.336 -0.196 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cc(C=O)c[nH]1 815506460 YLFISJQNPVVGIW-UHFFFAOYSA-N 261.241 -0.066 50 20 CBGD C#CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 823838520 QPIQENOFDXCVOA-UHFFFAOYSA-N 256.225 -0.739 50 20 CBGD Cn1ncc(Cl)c1C(=O)NNC(=O)N1CCOCC1 824621317 MPGMUZXHEKFVJI-UHFFFAOYSA-N 287.707 -0.240 50 20 CBGD O=C(NN=Cc1ccc(C(=O)O)[nH]1)C(=O)N1CCCC1 833149650 XSLOJJWBZMNBOK-UHFFFAOYSA-N 278.268 -0.215 50 20 CBGD CN1CCN(CC(=O)NCC(Cl)Cl)CC1=O 837647218 YQRWXRCCGGFUJO-UHFFFAOYSA-N 268.144 -0.320 50 20 CBGD CNCCNC(=O)NNC(=O)COc1ccc(OC)cc1 841934959 AAIQBNUPHUEREJ-UHFFFAOYSA-N 296.327 -0.376 50 20 CBGD COc1cc(C)nc(NNC(=O)NC[C@@H](C)N)n1 841983635 DJXPBNNUUSIGRB-ZCFIWIBFSA-N 254.294 -0.233 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc(S)[nH]1 843972262 ULBZHHQBFKJRDL-RITPCOANSA-N 270.314 -0.116 50 20 CBGD CCOC(=O)[C@@H](CC(=O)NNC(=O)C1CC1)C(C)=O 854180029 GWUBQHURZKOVQU-VIFPVBQESA-N 270.285 -0.298 50 20 CBGD CC1=NO[C@H](C(=O)NNC(=O)[C@H]2CCCCO2)C1 854682795 GUIBNTVFRTZGKE-BDAKNGLRSA-N 255.274 -0.132 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1nc2ncccn2n1 854682938 HZGQYGMKYOSXPN-QMMMGPOBSA-N 290.283 -0.546 50 20 CBGD CCOC(=O)CC(=O)NNC(=O)c1cccc(F)n1 856422607 ZSGMEWIGOBKENZ-UHFFFAOYSA-N 269.232 -0.065 50 20 CBGD C[C@H]1CCCCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 858694526 QMDXEKHODXHINJ-DTWKUNHWSA-N 268.317 -0.120 50 20 CBGD C=C(C)[C@@H](CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)OCC 862458123 XUMADDPBIFXWHW-VHSXEESVSA-N 283.328 -0.216 50 20 CBGD CC(C)Cn1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 862461438 PCLRBWNRDLWGOE-SNVBAGLBSA-N 293.327 -0.421 50 20 CBGD CCO[C@@H](C(=O)NNC(=O)c1cn[nH]c1)C1CC1 862467063 NUIQVXUEVZTOOV-SECBINFHSA-N 252.274 -0.014 50 20 CBGD CCc1ncc(C(=O)NNC(=O)CS(C)(=O)=O)s1 863460239 PDOSYFMPOYNOKO-UHFFFAOYSA-N 291.354 -0.489 50 20 CBGD C[C@@H]1CCOCCN1C(=O)c1ccc(B(O)O)cc1 867218675 ALKYWKLQXXQQMF-SNVBAGLBSA-N 263.102 -0.383 50 20 CBGD C#CCCCCC(=O)NNC(=O)COCCOC 869907529 NVQMNFVDCYFXSV-UHFFFAOYSA-N 256.302 -0.010 50 20 CBGD COCCOCC(=O)NN=Cc1ccc(C(=O)OC)cn1 901270583 CLQVFNOXSABGRS-UHFFFAOYSA-N 295.295 -0.019 50 20 CBGD Cc1cc(C)n2nc(C(=O)NN(C)C[C@@H](C)O)nc2n1 910176886 GDYSUSHZRAONDN-SECBINFHSA-N 278.316 -0.301 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@](C)(O)c1ccc(F)cc1 935563989 STZHXRQALILHAE-ZDUSSCGKSA-N 284.287 -0.049 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCn2cncc2C1 1116787545 OVLNXPRZQMAYTN-QMMMGPOBSA-N 266.301 -0.636 50 20 CBGD CN(C)C(=O)[C@H]1CCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1118864705 SZTVWRLYSASGCB-QMMMGPOBSA-N 294.315 -0.826 50 20 CBGD CC(=O)N[C@@H](C(=O)N1CC[C@@H](B(O)O)C1)C(C)C 1118916226 MXOCGPZXBSJULQ-NXEZZACHSA-N 256.111 -0.778 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H](O)c1ccccn1 1120628964 LCXONWDZBCALBK-SECBINFHSA-N 252.274 -0.193 50 20 CBGD CN(NC(=O)c1cnc2c(c1)NC(=O)CO2)C(N)=O 1254288933 SHYZPNMPADFYJP-UHFFFAOYSA-N 265.229 -0.932 50 20 CBGD C[C@@]1(CCCC(=O)NNc2cccnn2)NC(=O)NC1=O 1254616328 VTLBPLYSNJFYEF-LBPRGKRZSA-N 292.299 -0.312 50 20 CBGD C[C@]1(CNC(=O)C(=O)NC2CNC2)C[C@@H]1Br 1261771635 CRGAAQQISIWPME-OIBJUYFYSA-N 290.161 -0.636 50 20 CBGD CN1CCN(C)[C@@H](CNC(=O)NNC(=O)c2ccc[nH]2)C1 1318463459 DDZSOISHIXSUSH-JTQLQIEISA-N 294.359 -0.796 50 20 CBGD COCCO[C@@H](C)C(=O)NN=Cc1cnnn1C 1318968072 HOOVXEARBURDGG-QMMMGPOBSA-N 255.278 -0.683 50 20 CBGD Cc1c(CCC(=O)NNC(=O)C(=O)NC2CC2)cnn1C 1319536482 AOXYZJZUBYRFAP-UHFFFAOYSA-N 293.327 -0.913 50 20 CBGD NS(=O)(=O)c1ccccc1NNC(=O)c1cnns1 1321393828 SVYBCCHURUDEKS-UHFFFAOYSA-N 299.337 -0.058 50 20 CBGD Cn1cnc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 1325010702 DHEMWMMDJMNCAJ-QMMMGPOBSA-N 270.314 -0.695 50 20 CBGD O=C(CO)NNC(=O)C1CCC(NC(=O)C2CC2)CC1 1325021647 YPBYDPDOOVRDFL-UHFFFAOYSA-N 283.328 -0.789 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)CNC(=O)c2ccco2)C1 1326674758 GVHGAGBZIPFIHS-QMMMGPOBSA-N 293.279 -0.474 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)C[C@H]1C[C@@H](O)C1 1329356574 FRXPUKWTICBBFO-WAAGHKOSSA-N 255.318 -0.754 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnc(O)c1 1329547764 NDKVXHYBYMGXRB-VXNVDRBHSA-N 265.269 -0.027 50 20 CBGD C[C@H](C(=O)NNC(=O)Cc1ccncc1)[C@H]1CCC(=O)N1 1331666853 RRBCVVYYBZNEQD-GXSJLCMTSA-N 290.323 -0.314 50 20 CBGD O=C(CCn1ccccc1=O)NNC(=O)C1CCOCC1 1331960132 ORPKVQXEGIJATO-UHFFFAOYSA-N 293.323 -0.188 50 20 CBGD O=S(=O)(CCl)NCCCn1cc(CO)nn1 1346701141 CJKMDBPHBCLSHH-UHFFFAOYSA-N 268.726 -0.724 50 20 CBGD O=C(NNC(=O)c1cccnn1)N[C@H]1C[C@H](C(=O)O)C1 1574819536 LMYGRNNBNAEVHJ-LJGSYFOKSA-N 279.256 -0.716 50 20 CBGD O=C(NC[C@@H]1CCCNCC1)NNC(=O)[C@H]1CCCO1 1580655501 YGHIZRHPTDQXEP-GHMZBOCLSA-N 284.360 -0.115 50 20 CBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)C(=O)O)CCS1 1594254439 ABSMPQLHZQGDAO-PHDIDXHHSA-N 261.303 -0.315 50 20 CBGD Cn1nc(C(=O)O)cc1C(=O)NNC(=O)C1CCOCC1 1594568541 NCGMDYJZTFCPHB-UHFFFAOYSA-N 296.283 -0.694 50 20 CBGD CCO/C=C(/C#N)C(=O)Nc1n[nH]c(CC(=O)O)n1 1596864569 UFYMHQDGWGTHKT-WAYWQWQTSA-N 265.229 -0.186 50 20 CBGD O=C(CC[C@@H]1C[C@H](C(=O)O)CO1)NNC(=O)c1cc[nH]n1 1601285028 OBYQAPTWBYJSDP-JGVFFNPUSA-N 296.283 -0.559 50 20 CBGD O=C(Cn1cc(C(=O)O)cn1)NNC(=O)CC(F)(F)F 1601379474 TUNSWLBQLVMISR-UHFFFAOYSA-N 294.189 -0.319 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1603566925 XGNYVFTVUASKFI-ZCFIWIBFSA-N 265.277 -0.848 50 20 CBGD O=C(NC[C@H]1CC[C@@H](C(F)(F)F)O1)NNC(=O)C(=O)O 1608431774 GNUOYWKFIMNZEE-UHNVWZDZSA-N 299.205 -0.489 50 20 CBGD Cn1nc(C(=O)O)cc1C=NNC(=O)c1ccnnc1 1776081422 OELNZRMCKLFSIY-UHFFFAOYSA-N 274.240 -0.328 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CCc1cnn(C)c1 48674735 TXXSJLMWMGOQQW-UHFFFAOYSA-N 281.316 -0.975 50 20 CBGD O=C(NNC(=O)c1cn2cccnc2n1)NC1CC1 49150298 LKLGMCONQBWSQY-UHFFFAOYSA-N 260.257 -0.164 50 20 CBGD CCCCO[C@@H](C)C(=O)NNC(=O)C(=O)NC(C)C 65537829 KPEOXCDITBNIBO-VIFPVBQESA-N 273.333 -0.136 50 20 CBGD CC(=O)NNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 190822407 LYHWYYVXNPBJCP-SECBINFHSA-N 253.302 -0.055 50 20 CBGD Cn1cc(C=NNC(=O)OC(C)(C)C)c(=O)n(C)c1=O 254485087 DLDFHDISLDHXDO-UHFFFAOYSA-N 282.300 -0.057 50 20 CBGD CN(C)CCN1C[C@H](C(=O)NNc2cnccn2)CC1=O 274713748 BFHXUEMECLYQFM-SNVBAGLBSA-N 292.343 -0.670 50 20 CBGD C#CCO[C@@H](C)C(=O)NNC(=O)N1CCOCC1 294830161 XFXVHXZROOXTRJ-VIFPVBQESA-N 255.274 -0.902 50 20 CBGD O=S(=O)(CBr)NCCCn1cncn1 394309782 WYDTXAXTENBZTR-UHFFFAOYSA-N 283.151 -0.060 50 20 CBGD C=CCN1CC[C@@H](Oc2ccc(B(O)O)cc2)C1=O 584909849 JALRUXXJKVCAEV-GFCCVEGCSA-N 261.086 -0.468 50 20 CBGD CCCCN(CCO)C(=O)c1ccc(B(O)O)cc1 584931299 PDFGXEUBEXIDLT-UHFFFAOYSA-N 265.118 -0.399 50 20 CBGD Cc1noc([C@H](C)NC(=O)c2ccc(B(O)O)c(F)c2)n1 584937252 SJQKZUKJKMBYBB-LURJTMIESA-N 293.063 -0.312 50 20 CBGD C[C@@H](CCO)CCNC(=O)c1cccc(B(O)O)c1 584995485 VCTVJZUDYJYJNB-SNVBAGLBSA-N 265.118 -0.495 50 20 CBGD C[C@@H]1C[C@H](N)CN1CC(=O)NNC(=O)c1ccccc1 702659780 MMNIDCVAQXQWEB-PWSUYJOCSA-N 276.340 -0.131 50 20 CBGD CC(C)CNC(=S)NNC(=O)[C@H](C)NS(C)(=O)=O 728449255 IEZRHUJQQBSQDM-ZETCQYMHSA-N 296.418 -0.925 50 20 CBGD O=C(NN=Cc1ccc(O)cc1O)[C@H]1CCS(=O)(=O)C1 730579062 YSYBRSGMDBYVKR-VIFPVBQESA-N 298.320 -0.017 50 20 CBGD O=C(CN1CCC(=O)NC1=O)NNC(=O)c1ccccc1 731866228 JJERTIFZLQPQEJ-UHFFFAOYSA-N 290.279 -0.611 50 20 CBGD CCO[C@@H](CC)C(=O)NNC(=O)N1CCOCC1 745996023 IUHYFHGBPKJIHH-VIFPVBQESA-N 259.306 -0.126 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CN1[C@@H](C)CC[C@@H]1C 746102897 AQQTYYJBDVZJGY-UWVGGRQHSA-N 284.360 -0.469 50 20 CBGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)NC1CCCC1 747371390 ZWVAXJNYSWUGMZ-VIFPVBQESA-N 283.332 -0.198 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)[C@@H]2CCC(=O)NC2)n1 753458230 XSNGFFUQTFTWPX-RXMQYKEDSA-N 284.707 -0.319 50 20 CBGD COC1(C(=O)NNC(=O)Cc2cc[nH]n2)CCC1 755287309 YGMLSJOVDCAFAS-UHFFFAOYSA-N 252.274 -0.331 50 20 CBGD CSCCNC(=S)NNC(=O)C1CC(=O)C1 770238666 BWIMZUHTYZEAHJ-UHFFFAOYSA-N 261.372 -0.176 50 20 CBGD NC(=O)c1cccc(C(=O)NNC(=O)Cc2cccnc2)n1 781965187 QKLPKRJRNBKZNO-UHFFFAOYSA-N 299.290 -0.421 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)CCCC(=O)OC 782478641 QVUYEQSUDKYDJL-UHFFFAOYSA-N 281.334 -0.565 50 20 CBGD COc1cncc(C(=O)NNC(=O)c2ccccn2)n1 790096659 JAHGRWWMZCGKDU-UHFFFAOYSA-N 273.252 -0.045 50 20 CBGD C=CCNC(=S)NNC(=O)CCn1ccccc1=O 798304487 VZECKXKSSBBUCY-UHFFFAOYSA-N 280.353 -0.080 50 20 CBGD N#Cc1ncn(CCNC(=O)NNc2ccccn2)n1 805824185 XXISWEGWPVUCLN-UHFFFAOYSA-N 272.272 -0.129 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H](F)C(F)(F)F 810357125 QQYRHLVYMWRKLB-ZCFIWIBFSA-N 268.170 0.000 50 20 CBGD CO[C@@](C)(C=NNC(=O)[C@H](C)NS(C)(=O)=O)C1CC1 814834955 CGRANDJVPKEAOX-KWQFWETISA-N 291.373 -0.159 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1COCCN1CC(F)(F)F 821218340 ZHDPHKPGYPSDFX-BDAKNGLRSA-N 299.293 -0.407 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F 823828950 KMXMGXKGVGBIOL-SFYZADRCSA-N 297.277 -0.354 50 20 CBGD CCN(CCO)NC(=O)CNC(=O)COc1ccccc1 823833737 HBZXUQHQSNGGAS-UHFFFAOYSA-N 295.339 -0.473 50 20 CBGD CC(=O)N(C)CC(=O)NNc1cccc(-c2nn[nH]n2)c1 823967053 HPHFVEVJBGNTSV-UHFFFAOYSA-N 289.299 -0.212 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cnn[nH]1 826446654 TZBCFQXJNMHKSG-UHFFFAOYSA-N 271.244 -0.258 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCC(C)(C)O 826537046 GZVJFUXHTYMVQI-RKDXNWHRSA-N 273.333 -0.097 50 20 CBGD COC(=O)[C@H]1C[C@@H](NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1 827172597 VOYZHRSBEZSUCT-AXTSPUMRSA-N 299.327 -0.307 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@@H]1C(=O)O 828441925 VMNVJKVIAOMZMX-BDAKNGLRSA-N 285.344 -0.168 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@](F)(C(=O)O)C1 828570623 OZQHJCBKHGNAJN-CPCISQLKSA-N 275.280 -0.569 50 20 CBGD COC(=O)[C@@H]1CN(C)CCN(S(=O)(=O)CCl)C1 841555320 BBGDKVOWPIIKKO-MRVPVSSYSA-N 284.765 -0.451 50 20 CBGD O=C(COCc1ccccc1)NNC(=O)N[C@H]1CCNC1 841939690 UPDPWEXAPPVBCV-LBPRGKRZSA-N 292.339 -0.105 50 20 CBGD COc1cncc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1 843655705 KUTNRQMNONUOAR-HTQZYQBOSA-N 280.284 -0.329 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCN(C)[C@@H]1C 843964662 FMITXKVTYFTVJZ-DBIOUOCHSA-N 269.345 -0.101 50 20 CBGD CC(C)C(=O)NNC(=O)CCN1C(=O)CCNC1=S 847289186 KGFSKUOBHWLSQF-UHFFFAOYSA-N 286.357 -0.713 50 20 CBGD CC(C)(C)n1nnc(CC(=O)NNc2ccncn2)n1 854748294 ZNQWGOOPVCNZKF-UHFFFAOYSA-N 276.304 -0.096 50 20 CBGD CNC(=O)C1(C(=O)NN(C)C(=S)NC)CCC1 854924214 ROMFLWGUYIMLNW-UHFFFAOYSA-N 258.347 -0.630 50 20 CBGD CN(CC(=O)NNc1cnnn1C)[C@H]1CCSC1 857273201 ODRHHDDTSUWFHG-QMMMGPOBSA-N 270.362 -0.305 50 20 CBGD CCNC(=O)NNC(=O)Cn1cc(C(=O)OC)cn1 858781958 KTJWZPOEOXAAAQ-UHFFFAOYSA-N 269.261 -0.980 50 20 CBGD CC(C)c1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)n[nH]1 862452517 XTAYGGZHSSZPIO-ZETCQYMHSA-N 279.300 -0.427 50 20 CBGD C[C@]1(C(=O)NNC(=O)CS(C)(=O)=O)CCCCO1 863466056 OOQYIJIXBQQANA-SNVBAGLBSA-N 278.330 -0.862 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@]1(CC)CCNC1=O 864458264 ZDKOOIUPGPDQRV-NSHDSACASA-N 270.358 -0.416 50 20 CBGD C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1cc(C)[nH]n1 869017551 NDCDADOCTDTDTD-MNOVXSKESA-N 278.312 -0.001 50 20 CBGD CCN(C)C(=O)[C@H](C)NC(=O)NN(C)C(=O)OC 875526421 SFRCRGTVUSTJOW-ZETCQYMHSA-N 260.294 -0.234 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccnn1CCN(C)C 910145934 GDQYSOFDWZCFDC-SNVBAGLBSA-N 269.349 -0.598 50 20 CBGD C[C@]1(C(=O)NNC(=O)CN2CCCC2=O)CCCCO1 913733256 BSFFFFFQPRCEFX-CYBMUJFWSA-N 283.328 -0.285 50 20 CBGD O=C(CCn1ccccc1=O)NNC(=O)NCC1CC1 920859030 SGZAJCDVUDCREO-UHFFFAOYSA-N 278.312 -0.021 50 20 CBGD CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cnn(C)c1 1317991791 MNJGSATUOONHIK-SECBINFHSA-N 284.341 -0.305 50 20 CBGD CN(C)C(=O)NNC(=O)C(=O)Nc1ccccc1 1318042967 JOEYBHRPOFHAQG-UHFFFAOYSA-N 250.258 -0.073 50 20 CBGD CS(=O)(=O)CCCC(=O)NNC(=O)NC1CC1 1318619808 CKIDGQZABMXXNW-UHFFFAOYSA-N 263.319 -0.696 50 20 CBGD CC(=O)NCCCCCC(=O)NNC(=O)c1cnn(C)c1 1318668385 UZUCFMNBWIFUCA-UHFFFAOYSA-N 295.343 -0.122 50 20 CBGD O=C(NNC(=O)[C@@H]1CC12CCC2)[C@H]1CCS(=O)(=O)C1 1319110094 SWUYEXUZAHAQIO-IUCAKERBSA-N 286.353 -0.241 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CCC[C@@H]1OC 1319931124 YVBGUAIDEBYTPD-YUMQZZPRSA-N 273.289 -0.695 50 20 CBGD CN(NC(=O)c1ccc(S(N)(=O)=O)cc1F)C(N)=O 1320004089 CREOYJGRUNIMTG-UHFFFAOYSA-N 290.276 -0.872 50 20 CBGD Cn1nncc1CNC(=O)NNC(=O)c1ccc(C#N)cc1 1323378760 HIUFILCQJLXWAA-UHFFFAOYSA-N 299.294 -0.169 50 20 CBGD COc1cccnc1CC(=O)NNc1nccn(C)c1=O 1323686331 DWTQMBRJIPCUMZ-UHFFFAOYSA-N 289.295 -0.130 50 20 CBGD Cc1nc(C(=O)NNC(=O)C2CCC2)nn1-c1nc[nH]n1 1326972392 ANICMOVKGTZOKU-UHFFFAOYSA-N 290.287 -0.745 50 20 CBGD CNC(=S)N(C)NC(=O)Cc1nc2ncccn2n1 1328341366 VTCKWUJPMKVMRP-UHFFFAOYSA-N 279.329 -0.866 50 20 CBGD Cc1noc(C)c1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329656701 WYYOROMYTXQJBB-ZETCQYMHSA-N 266.257 -0.669 50 20 CBGD COc1cncc(C=NNC(=O)CS(C)(=O)=O)c1 1330142456 KJEHYDZATBPPCP-UHFFFAOYSA-N 271.298 -0.415 50 20 CBGD O=C(O)[C@@H](CC1CC1)NCc1ccccc1B(O)O 1333136915 KNBDLOAACCFNPD-GFCCVEGCSA-N 263.102 -0.291 50 20 CBGD O=C(NNc1ncncc1F)c1cc2n(n1)CCO2 1343999527 XUWHZTBBKZGHOQ-UHFFFAOYSA-N 264.220 -0.039 50 20 CBGD O=C(Cc1cc(O)nc(O)n1)NN=C[C@@H]1CCCOC1 1347634905 YLBXKKPRSRFBLB-QMMMGPOBSA-N 280.284 -0.041 50 20 CBGD COCCOCC(=O)NNC(=O)CCCC(=O)N(C)C 1352009491 HVLMHDBSEJMJLE-UHFFFAOYSA-N 289.332 -0.945 50 20 CBGD O=C(NNC(=O)c1ccns1)C(=O)N1CCCC1 1353554545 SWBZDSSJYRAZNG-UHFFFAOYSA-N 268.298 -0.474 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)CC1(N)COC1 1575140811 JNXDYHDXYYZXIC-UHFFFAOYSA-N 260.363 -0.602 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@](C)(C#N)CC(=O)O 1603479652 HMBCMIRZUFQTHA-UBJUHAIHSA-N 283.284 -0.437 50 20 CBGD O=C(Cc1ccccc1F)NNC(=O)c1c[nH]nn1 104643845 JENXTQUEBAYRMD-UHFFFAOYSA-N 263.232 -0.053 50 20 CBGD COC[C@H](O)CNS(=O)(=O)CCCCCl 162588251 HYTUWCVAKPHUIR-MRVPVSSYSA-N 259.755 -0.068 50 20 CBGD CN1CC[C@H](NC(=O)NNC(=O)OC(C)(C)C)C1=O 265773449 JKYRVYLGRSHUGM-ZETCQYMHSA-N 272.305 -0.044 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C(C)C)N(C)C 268444529 NITWGXYJODMTQV-SECBINFHSA-N 272.349 -0.755 50 20 CBGD CC(C)[C@@H](O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 285175315 QALYPMFZMFOIJB-VXGBXAGGSA-N 294.307 -0.009 50 20 CBGD C=C[C@@](C)(O)CC(=O)NNC(=O)CNC(=O)c1ccco1 289610561 AQOYZYGZUOPEBQ-CYBMUJFWSA-N 295.295 -0.516 50 20 CBGD CC[C@@H](C)NC(=O)CCNC(=O)c1ccc(B(O)O)cc1 584934322 RVFKDYLVXXNOFB-SNVBAGLBSA-N 292.144 -0.599 50 20 CBGD CNC(=O)[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)C(C)C 584965966 WXVDPZMTUCRAOH-NSHDSACASA-N 296.107 -0.994 50 20 CBGD CN(CC1(O)CCC1)C(=O)c1cccc(B(O)O)c1 584974040 FOMMCTBGFPFFBD-UHFFFAOYSA-N 263.102 -0.647 50 20 CBGD O=C(CCNCc1ccc(B(O)O)cc1)N1CCCC1 585016491 NUXMTBYWNLDMHB-UHFFFAOYSA-N 276.145 -0.532 50 20 CBGD CCO[C@@H]1COC[C@H]1NCc1cccc(B(O)O)c1 585044920 XFRQEQFYBOJDJB-CHWSQXEVSA-N 265.118 -0.740 50 20 CBGD CC(C)Oc1ccc(S(=O)(=O)NCB(O)O)cc1 585056283 SAUJCVDBOQIBKY-UHFFFAOYSA-N 273.119 -0.236 50 20 CBGD CCC(=O)Nc1cccc(C(=O)NCB(O)O)c1 585061041 OPUYFVVKMKSJCI-UHFFFAOYSA-N 250.063 -0.223 50 20 CBGD O=C(NCB(O)O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 585061639 BNMJQZKUCYPWQU-UHFFFAOYSA-N 290.044 -0.478 50 20 CBGD O=C(c1ccccc1-n1ccnn1)N1CC[C@H](B(O)O)C1 585066208 NFMZZYZBPAVUNN-JTQLQIEISA-N 286.100 -0.044 50 20 CBGD CCOCCO[C@H](C)C(=O)NNC(=O)N1CCOCC1 745995986 GSRWGUYIGAIMIT-SNVBAGLBSA-N 289.332 -0.499 50 20 CBGD Cc1cc(C(=O)NNC(=O)Nc2cccn(C)c2=O)n[nH]1 756683822 ITCZCACTMPQPJD-UHFFFAOYSA-N 290.283 -0.117 50 20 CBGD Cc1cc(NNC(=O)[C@@H]2CN3CCCN2CC3)ncn1 764270636 FKIOPUHFSDTERC-NSHDSACASA-N 276.344 -0.382 50 20 CBGD CC(=O)NNC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 768920437 FRVGSQOLKDUHJB-ZDUSSCGKSA-N 290.279 -0.478 50 20 CBGD Cc1c[nH]cc(C(=O)NNc2ccc(C(N)=O)nn2)c1=O 781429979 XKAYITRVDQUNOH-UHFFFAOYSA-N 288.267 -0.671 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)CCC(=O)O 817858727 RLHUQDITYDDLCY-VIFPVBQESA-N 273.333 -0.025 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@@H]2OCC[C@@H]2C1 829581287 YWJHTDPTLYNAON-MNOVXSKESA-N 269.345 -0.099 50 20 CBGD O=C(CSc1ccccc1O)NNC(=O)[C@@H]1CC(=O)N1 831458754 ALKHMVOPHXVUSL-ZETCQYMHSA-N 295.320 -0.480 50 20 CBGD CN1C(=O)C(=NNC(=O)NCC(=O)O)c2ccccc21 833698613 YELFQCLCEXZPHY-UHFFFAOYSA-N 276.252 -0.249 50 20 CBGD CN1C[C@H](N(C)CC(=O)NNC(=O)C(C)(C)C)CCC1=O 846919596 HZIINPJSMHINKE-SNVBAGLBSA-N 298.387 -0.268 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@@H](C)NC(C)=O 854279544 COYUIPGNHYLVCB-MRVPVSSYSA-N 290.389 -0.615 50 20 CBGD COCCCNC(=S)N(C)NC(=O)c1cncn1C 854284357 GRJWIWUJSWJIRV-UHFFFAOYSA-N 285.373 -0.092 50 20 CBGD C[C@H](CC(N)=O)C(=O)NNC(=O)CC(F)(F)F 855000663 MJYUPORFDFVKFC-SCSAIBSYSA-N 255.196 -0.402 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCCN1C=O 855007778 YQHSWELQLFNOBF-IVZWLZJFSA-N 269.301 -0.820 50 20 CBGD CCOC(=O)[C@@H](CC(=O)NNC(=O)c1cc[nH]n1)C(C)=O 855356583 VBBHIRKSFCERMI-QMMMGPOBSA-N 296.283 -0.671 50 20 CBGD COC[C@@H](OC)C(=O)NNc1ncnc2[nH]cnc12 857128838 GNKQELGWQTVKQN-ZCFIWIBFSA-N 266.261 -0.543 50 20 CBGD C[C@@H]1CC[C@@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858378820 SFXZOSJILAQZFU-IWSPIJDZSA-N 268.317 -0.216 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CC([C@@H]2CCOC2)C1 863882024 WPKYFKJCVYNXCN-SECBINFHSA-N 293.103 -0.386 50 20 CBGD C[C@@H](O)CN(C)NC(=O)Cn1nnnc1-c1ccsc1 910146536 JINFFLUFEFHCLA-MRVPVSSYSA-N 296.356 -0.255 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1ccccn1)S(C)(=O)=O 915356558 OSZQYOWJKMRLDM-ZETCQYMHSA-N 271.298 -0.724 50 20 CBGD CCS(=O)(=O)NCCNC(=O)NNc1ccccn1 916517005 VFDBOGLJUDMYHB-UHFFFAOYSA-N 287.345 -0.353 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H](C)S(C)(=O)=O 921038282 NDVCVVFTLNZJSX-ZCFIWIBFSA-N 251.308 -0.840 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](CCN)C1 923485583 WCGZALHVCLVRJZ-VHSXEESVSA-N 256.350 -0.397 50 20 CBGD CCOCC(=O)NNC(=O)NC1CCN(CC#N)CC1 1116016726 ZXYKSWAYBLRSCB-UHFFFAOYSA-N 283.332 -0.659 50 20 CBGD CCO/C=C(\C#N)C(=O)N(C)CCNS(C)(=O)=O 1253374680 QLRSTEVJLSADKC-CMDGGOBGSA-N 275.330 -0.562 50 20 CBGD CS(=O)(=O)CCCC(=O)NNC(=O)c1ccncc1 1318338359 HGUZXCGSCQEFEL-UHFFFAOYSA-N 285.325 -0.333 50 20 CBGD O=C(NCC1CCOCC1)NNC(=O)C(=O)N1CCCC1 1325025726 ILLPAGLQGWHLIX-UHFFFAOYSA-N 298.343 -0.634 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)Cc1cccnc1 1326740738 SMIVOIBKHHHTCK-SNVBAGLBSA-N 276.296 -0.608 50 20 CBGD Cc1csc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 1329139478 FUOZLAKOPPJKSC-SSDOTTSWSA-N 297.340 -0.439 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1cncnc1C 1329194588 CQTGJBBQVKVINH-UHFFFAOYSA-N 270.314 -0.330 50 20 CBGD Cn1nc(C(=O)NNc2cnnn2C)cc1Cl 1329573623 KMOBTPQLEXYVQO-UHFFFAOYSA-N 255.669 -0.041 50 20 CBGD CNC(=O)NNC(=O)CCCOC1CCOCC1 1331931102 GPVLPIFLWNDVGF-UHFFFAOYSA-N 259.306 -0.078 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CCc2ncncc2C1 1332481024 JPDUDNPTTMFCML-MRVPVSSYSA-N 263.301 -0.068 50 20 CBGD O=C(NNc1ncccc1F)c1nnc(O)nc1O 1341430389 AIKXDRRKVNBGAM-UHFFFAOYSA-N 266.192 -0.426 50 20 CBGD COC1(C(=O)NNC(=O)NC2CC2)CCOCC1 1344902769 JEMFMXOZSSKWFB-UHFFFAOYSA-N 257.290 -0.325 50 20 CBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)CC1CC1 1347017257 UJNHNAABZVBEQH-GXSJLCMTSA-N 266.345 -0.678 50 20 CBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)C1CCCC1 1347328242 WPAVLYLDPWEMAJ-ZYHUDNBSSA-N 280.372 -0.288 50 20 CBGD O=C(C[C@@H]1CC(=O)N1)NNc1nc2ccccn2n1 1347750516 BMPOCSSXGHEESU-ZETCQYMHSA-N 260.257 -0.549 50 20 CBGD O=C(CCO)NNC(=O)NC1(C(F)(F)F)CC1 1355013839 DEEVOKXVYSVLAL-UHFFFAOYSA-N 255.196 -0.206 50 20 CBGD CC[C@@H](C(=O)O)N(C)C(=O)c1ccc(B(O)O)cc1 1589438219 VWPRUYVTGYESIT-JTQLQIEISA-N 265.074 -0.698 50 20 CBGD C[C@@H]1C[C@H](C(=O)NN(C)[C@H](C)CO)O[C@H]1C(=O)O 1592762189 OTKNCHHYNOUOHZ-FNCVBFRFSA-N 260.290 -0.792 50 20 CBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=O)[C@@H]1CCCCO1 1593927267 VVAFARWBDRYDBA-WRWORJQWSA-N 274.273 -0.807 50 20 CBGD O=C(CO)NNC(=O)Nc1cc(F)c(C(=O)O)c(F)c1 1601329969 DTNJLHFJOWJVIT-UHFFFAOYSA-N 289.194 -0.192 50 20 CBGD CC(=O)NNC(=O)c1cscc1-c1nn[nH]n1 1602948515 CHBYEFDLIVWQPN-UHFFFAOYSA-N 252.259 -0.291 50 20 CBGD Cn1nc(NC(=O)c2cccc(B(O)O)c2)cc1C(=O)O 1608150722 HWPOZGYFKLJXTA-UHFFFAOYSA-N 289.056 -0.950 50 20 CBGD CNC(=O)NNC(=O)c1ncc(-c2nn[nH]n2)cc1C 1609288747 KCAJWYFRSMTIQM-UHFFFAOYSA-N 276.260 -0.856 50 20 CBGD CCCCNC(=O)NNC(=O)CS(=O)(=O)CC 49143491 OHUPIMATJVEBCC-UHFFFAOYSA-N 265.335 -0.448 50 20 CBGD COCCNC(=O)NNC(=O)c1cccc(C)n1 143052739 NEXDUAAFOJNKKC-UHFFFAOYSA-N 252.274 -0.020 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2ccc(C#N)[nH]2)[nH]n1 153898087 GOQJRTUJLVUURE-UHFFFAOYSA-N 258.241 -0.007 50 20 CBGD CC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 267855999 HEXBCMRAONOZHP-UHFFFAOYSA-N 289.313 -0.381 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)C1CCC1 268375201 SSGOBCHKBBBALH-MRVPVSSYSA-N 256.306 -0.229 50 20 CBGD O=C(Cn1cnnn1)NNc1nnc(C2CC2)s1 273565095 GNRJVOOEMHHQJP-UHFFFAOYSA-N 266.290 -0.455 50 20 CBGD CC(C)(O)CC(=O)NNC(=O)CNC(=O)c1cccs1 279531167 MLWHJZXCARJDAK-UHFFFAOYSA-N 299.352 -0.214 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@H](NC(N)=O)C(C)(C)C 283702983 LJSZQJBOVXSFIP-VIFPVBQESA-N 295.343 -0.131 50 20 CBGD CCO[C@@H]1C[C@H]1C(=O)NNC(=O)C(=O)N1CCCC1 299531412 ZNSUPNZTLZJMHS-RKDXNWHRSA-N 269.301 -0.819 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 365903084 IUMXWJTWULIDHS-SSDOTTSWSA-N 280.288 -0.935 50 20 CBGD Cn1ncc(C=NNC(=O)CNC(=O)OC(C)(C)C)c1N 495720848 OGYVHULZIGNZDS-UHFFFAOYSA-N 296.331 -0.023 50 20 CBGD O=C(NCCCCn1ccnc1)c1ccc(B(O)O)cc1 584945544 IRDRBLRTFGKGBG-UHFFFAOYSA-N 287.128 -0.227 50 20 CBGD C[C@H](NC(=O)c1ccc(B(O)O)cc1)[C@@H](C)n1cccn1 584945877 MKZGEICVTJGYQS-WDEREUQCSA-N 287.128 -0.058 50 20 CBGD CC(C)[C@H](O)CNC(=O)c1ccc(B(O)O)c(F)c1 584959775 LEGKIZLELMZMQG-LLVKDONJSA-N 269.081 -0.748 50 20 CBGD CN(C[C@@H]1CCC[C@H]1O)C(=O)c1cc(B(O)O)ccc1F 584967229 SOIWWLQEDVJWEL-TVQRCGJNSA-N 295.119 -0.262 50 20 CBGD C[C@H](NC(=O)c1cc(B(O)O)ccc1F)C1(CO)CC1 585007350 XDDPTKZIZLGVPB-QMMMGPOBSA-N 281.092 -0.604 50 20 CBGD O=C(NCCCNCc1ccccc1B(O)O)C1CCC1 585026949 UXIJVHQXMMXQOD-UHFFFAOYSA-N 290.172 -0.238 50 20 CBGD CC(C)[C@@H](O)CCNCc1ccccc1B(O)O 585029792 URAQXAVPEDROSC-ZDUSSCGKSA-N 251.135 -0.137 50 20 CBGD NC(=O)C1(CNCc2ccc(B(O)O)cc2F)CCCC1 585032390 HELDFWLUGXZURD-UHFFFAOYSA-N 294.135 -0.359 50 20 CBGD O=C(NCB(O)O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 585061791 HBSANQPYAPORAC-UHFFFAOYSA-N 290.044 -0.478 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)NCCC 732062719 MCFVVTFOXVPTAM-JTQLQIEISA-N 252.318 -0.176 50 20 CBGD O=C(CNC(=O)c1ccncc1)NNC(=O)C1CCC1 732291943 DICQAUZOQZNGBH-UHFFFAOYSA-N 276.296 -0.241 50 20 CBGD CC(C)NC(=O)NNS(=O)(=O)c1ccc(C(=O)O)o1 736476151 DGLUPIIASYDXBA-UHFFFAOYSA-N 291.285 -0.121 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CCN(CCOC)C1 739036378 TWUWZGWMOWBDDW-JTQLQIEISA-N 288.348 -0.926 50 20 CBGD O=C(O)CSCC(=O)NNC(=O)c1ccccc1O 740485733 ZGXIRAKJFLBVLY-UHFFFAOYSA-N 284.293 -0.029 50 20 CBGD CCC(=O)NNS(=O)(=O)C[C@H]1CCCCO1 740810404 XGLUJPYAKJKJCS-MRVPVSSYSA-N 250.320 -0.084 50 20 CBGD CC(=NNC(=O)N1CCOCC1)c1c(C)nc(O)nc1O 745590806 GJOBKWWYPMYMRP-UHFFFAOYSA-N 295.299 -0.038 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)NCCn1ccnc1 747441135 RXKFMPDEWIDOKN-UHFFFAOYSA-N 288.311 -0.149 50 20 CBGD CCc1cccc(C(=O)NNC(=O)C(=O)NC2CC2)c1O 751363702 KNPFNFPTTMTILY-UHFFFAOYSA-N 291.307 -0.006 50 20 CBGD CSCCNC(=S)NNC(=O)CCN(C)C 752735714 ZCSZAGBJWBFGOJ-UHFFFAOYSA-N 264.420 -0.204 50 20 CBGD O=C(CO)NNC(=O)c1cccc(CN2CCOCC2)c1 753439768 SXKZZVVFIHPXOI-UHFFFAOYSA-N 293.323 -0.728 50 20 CBGD CCC(=O)NNS(=O)(=O)c1cc(C(=O)OC)co1 753949881 SALXKFLFAUNHPR-UHFFFAOYSA-N 276.270 -0.214 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc2c(c1)C(=O)NCC2 756616907 LUJYUIJCPJIQLR-UHFFFAOYSA-N 278.268 -0.883 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H](C)CN1CCOCC1 757760558 QBJXUCRUBKGEJD-LBPRGKRZSA-N 281.356 -0.094 50 20 CBGD Cc1cccc(F)c1NC(=O)C(=O)NNC(=O)CO 764420662 DRJBQQXAXFMPQB-UHFFFAOYSA-N 269.232 -0.788 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(C#N)c(C)c1 766547982 ORGMHGLJLBMQDH-UHFFFAOYSA-N 268.298 -0.011 50 20 CBGD COc1cc(C(=O)NNC(=O)c2ccncc2)nn1C 771841022 TZPAXTBPJOUCMF-UHFFFAOYSA-N 275.268 -0.102 50 20 CBGD CC(=O)NNS(=O)(=O)c1cc(C)cc(C(=O)O)c1O 775249578 WHEWANGLPRCKGS-UHFFFAOYSA-N 288.281 -0.272 50 20 CBGD COCC1(C(=O)NNC(=O)C(=O)NC(C)C)CC1 778547707 KMDXWHCQIYSVGM-UHFFFAOYSA-N 257.290 -0.915 50 20 CBGD COc1cc(C)nc(NNC(=O)CN2CCOCC2)n1 779222283 YFKOGNXUWMWQQX-UHFFFAOYSA-N 281.316 -0.431 50 20 CBGD C/C=C(/CC)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 788687190 DOTAXPYPYWHYIE-PTDYZRSTSA-N 274.342 -0.075 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NN=Cc1cn(C)cn1 794478812 SGWWAKFODWTSMT-LLVKDONJSA-N 279.344 -0.162 50 20 CBGD CC(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 796768141 LWXJSHRJXZNHIQ-UHFFFAOYSA-N 281.224 -0.081 50 20 CBGD CON=CC(=O)NNC(=O)Cn1cnc2ccccc21 809559088 YYTBCZNIZCJECB-UHFFFAOYSA-N 275.268 -0.184 50 20 CBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)C1CCCC1 821750202 BWVDCWCWNPGKEO-SNVBAGLBSA-N 253.302 -0.055 50 20 CBGD CCN(CCO)NC(=O)c1cn(CCOC)nc1C 823873458 BEFMCBWSDBTVPE-UHFFFAOYSA-N 270.333 -0.203 50 20 CBGD CCCC[C@@H](NC(N)=O)C(=O)NN(C)C(=S)NC 854925076 AFLSKUYLCCACEF-SSDOTTSWSA-N 275.378 -0.319 50 20 CBGD Cn1ncc2c1C[C@@H](C(=O)NNC(=O)c1cc[nH]n1)CC2 855356377 QYKLPKUAVGRMBX-QMMMGPOBSA-N 288.311 -0.291 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@H]2CCC=CO2)N1 858377544 XNSOABLLOZAGGQ-RKDXNWHRSA-N 282.300 -0.712 50 20 CBGD Cc1ccc(O)c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862451415 MPGZVWPRWWLJIK-SECBINFHSA-N 277.280 -0.260 50 20 CBGD CCN1CCN(C(=O)c2ccc(B(O)O)cc2)C[C@H]1C 863877412 DDKLWWCYHHOOTC-LLVKDONJSA-N 276.145 -0.467 50 20 CBGD CCOC(=O)[C@H]1CCCN1C(=O)c1cccc(B(O)O)c1 863878161 BAXWMWTXLIYFTM-GFCCVEGCSA-N 291.112 -0.466 50 20 CBGD COCCOCC(=O)NNC(=O)Cc1ncc(C)s1 869908613 RTDVLKJJKHBJAC-UHFFFAOYSA-N 287.341 -0.196 50 20 CBGD CN1C(=O)CS/C1=C/C(=O)NNC(=O)c1cccn1C 873836267 VKMZWZJTASHIDX-IZZDOVSWSA-N 294.336 -0.167 50 20 CBGD C[C@]1(C(=O)NNC(=O)CO)CCOc2ccccc21 897605284 CXBZDHUBBNSTIF-ZDUSSCGKSA-N 264.281 -0.134 50 20 CBGD C[C@H](O)CN(C)NC(=O)CS(=O)(=O)C1CCCC1 910170683 POWOBHWCMCLXTH-VIFPVBQESA-N 278.374 -0.312 50 20 CBGD COCCOCC(=O)NNC(=O)c1cnc(C)n1C 913433734 PLWVLPAANFMSIO-UHFFFAOYSA-N 270.289 -0.847 50 20 CBGD COCCOCCNC(=O)NNC(=O)CC(F)(F)F 918072963 QOTZGRUFSHIODA-UHFFFAOYSA-N 287.238 -0.068 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cnc(C)[nH]1 1116381053 SJVBQVLUKVCZGH-UHFFFAOYSA-N 281.316 -0.216 50 20 CBGD O=S(=O)(CCCCl)NC1CC(CO)(CO)C1 1260058930 HRUGYRSFBVQIFT-UHFFFAOYSA-N 271.766 -0.332 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(=O)n(CCOC)c1 1318005175 WRXQFQKZIAEAHN-UHFFFAOYSA-N 282.300 -0.541 50 20 CBGD CNC(=O)NNC(=O)c1csc(S(C)(=O)=O)c1 1319888527 IHLVDUOLDOTBSQ-UHFFFAOYSA-N 277.327 -0.275 50 20 CBGD CC(C)NC(=S)NNC(=O)c1cccn2c(O)nnc12 1319946388 LVNVLAXMHHKUJI-UHFFFAOYSA-N 294.340 -0.048 50 20 CBGD COC[C@H](C)n1ccc(NC(=O)NNC(=O)CCO)n1 1320800032 XNUOPBHUZXXIGZ-QMMMGPOBSA-N 285.304 -0.374 50 20 CBGD Cn1ccc(NNC(=O)c2ccc(C(N)=O)cn2)n1 1320978867 SSPJCKBVLWRMQM-UHFFFAOYSA-N 260.257 -0.329 50 20 CBGD CCn1cc(CNC(=O)NNC(=O)C(=O)NC2CC2)cn1 1323385843 CNRJQTOMNDDLRV-UHFFFAOYSA-N 294.315 -0.988 50 20 CBGD CN(C)C(=O)c1ccnc(NC(=O)NNC(=O)CCO)c1 1323499698 AKYWHTGZBNFHIN-UHFFFAOYSA-N 295.299 -0.682 50 20 CBGD Cc1ccncc1CC(=O)NNC(=O)[C@H]1CCC(=O)N1 1329078123 LPKKOMLLKBCHQB-SNVBAGLBSA-N 276.296 -0.641 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H](CO)C1CC1 1329192754 IFWHBCPZSLBHOI-MRVPVSSYSA-N 253.262 -0.875 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)Nc1cnsn1 1332156331 HBWUESXKYMXJAI-WDSKDSINSA-N 299.312 -0.951 50 20 CBGD Cc1cnn(C)c1C(=O)NNC(=O)CN1CCCC1=O 1332273705 KCMODIPDXSPDDX-UHFFFAOYSA-N 279.300 -0.888 50 20 CBGD Cc1nnc(O)c(C(=O)NNC(=O)N2CCOCC2)c1C 1337965853 CGYMKRAKKOBVKE-UHFFFAOYSA-N 295.299 -0.514 50 20 CBGD O=C(CC[C@H]1NC(=O)NC1=O)NNc1cccc(F)n1 1347786508 WDDCUHGORWGSHB-ZCFIWIBFSA-N 281.247 -0.348 50 20 CBGD COC(=O)C(=O)NN=C1CS(=O)(=O)Cc2ccccc21 1350465288 IYEMAFPKQMAVQG-UHFFFAOYSA-N 296.304 -0.392 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)[C@]12CNC[C@@H]1C2 1579307705 YORDOLNYLGWCMV-XHDPSFHLSA-N 289.335 -0.005 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CO[C@H](CCC(=O)O)C1 1593793548 SMEKEJSCSWVRAK-RNFRBKRXSA-N 259.262 -0.784 50 20 CBGD O=C(O)C1=NO[C@H](C(=O)NNc2cccc(F)n2)C1 1594890816 VECNCFQUIVWFRD-LURJTMIESA-N 268.204 -0.107 50 20 CBGD O=C(O)CN1CCCC[C@H](NS(=O)(=O)CCl)C1=O 1595097225 YSMCRRXKMMHXTE-ZETCQYMHSA-N 298.748 -0.432 50 20 CBGD O=C(NC[C@@H]1CCOc2ccccc21)NNC(=O)C(=O)O 1601486959 VORSFJIHVIDTHW-QMMMGPOBSA-N 293.279 -0.032 50 20 CBGD O=C(O)c1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cc1 1602392886 JQTMFTTZYFEVQT-SECBINFHSA-N 299.113 -0.378 50 20 CBGD COCC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 27150087 ACDQNQWTCJKFOQ-UHFFFAOYSA-N 286.309 -0.503 50 20 CBGD O=C(NCc1ccccc1F)NNC(=O)C(=O)NC1CC1 46071815 FAZVFXVDUMYXEZ-UHFFFAOYSA-N 294.286 -0.065 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)o1 48375722 KBGVCWYJKGLRRQ-UHFFFAOYSA-N 253.258 -0.126 50 20 CBGD CC[C@H](C)C(=O)NNS(=O)(=O)c1ccnn1C 263839647 HXWBRCMZXSQGOS-ZETCQYMHSA-N 260.319 -0.224 50 20 CBGD COCCN1C[C@@H](C(=O)NNc2cnccn2)CC1=O 265153535 KXBKVZALGKITRD-VIFPVBQESA-N 279.300 -0.585 50 20 CBGD C[C@H]1CN(CCC(=O)NNC(=O)c2nc[nH]n2)C[C@@H](C)O1 272723650 YDPXBKQSEYGHOP-DTORHVGOSA-N 296.331 -0.935 50 20 CBGD C#CC[C@@H](NS(=O)(=O)CBr)C(=O)O 274985764 KDMSYSWXBXLRKY-RXMQYKEDSA-N 270.104 -0.265 50 20 CBGD C[C@H](O)C(=O)NNC(=O)CNC(=O)c1cccs1 276425201 WEBCZWIRKNXKMT-LURJTMIESA-N 271.298 -0.994 50 20 CBGD COc1ccnc(NNC(=O)[C@H]2CCCCC(=O)N2)n1 279043866 QMOIELNSUKJVJC-MRVPVSSYSA-N 279.300 -0.013 50 20 CBGD C[C@@H](NC(=O)C1CCCC1)C(=O)NNC(=O)N(C)C 299368994 KNLDQHDMWCVSHO-MRVPVSSYSA-N 270.333 -0.016 50 20 CBGD O[C@H]1CN(CCI)C[C@@H]1O 307213278 XJLMIYUDMRTINH-WDSKDSINSA-N 257.071 -0.541 50 20 CBGD C[C@H](C[S@](C)=O)N(C)Cc1ccc(B(O)O)cc1 399962084 SNMZMCHHOBINQD-MGNBDDOMSA-N 269.175 -0.435 50 20 CBGD COC(=O)NNC(=O)c1cccnc1N1CCOCC1 495406578 DTWRYXBBHYLYBC-UHFFFAOYSA-N 280.284 -0.081 50 20 CBGD CC[C@@H]1COCCN1C(=O)c1cc(B(O)O)ccc1F 584949953 HUDUXRTZXCVVCI-SNVBAGLBSA-N 281.092 -0.244 50 20 CBGD CCC[C@@H](O)CNC(=O)c1ccc(B(O)O)cc1 584959298 FXSKZQIWARBAHU-LLVKDONJSA-N 251.091 -0.743 50 20 CBGD C[C@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)CCO1 584969281 KRJQTPYMYXZJKS-CABZTGNLSA-N 263.102 -0.336 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 584997540 HKGNJJFMUFTSMN-XJFOESAGSA-N 285.108 -0.608 50 20 CBGD CN(C)[C@@H]1CCCC[C@H]1NC(=O)c1cccc(B(O)O)c1 585001512 YADAKAXYWPZRMD-ZIAGYGMSSA-N 290.172 -0.031 50 20 CBGD CSCCNC(=O)c1cc(B(O)O)ccc1F 585009305 WEOCIIMDUXINCQ-UHFFFAOYSA-N 257.095 -0.402 50 20 CBGD COCCN(C)CCNCc1cccc(B(O)O)c1 585020663 FQZMELUCHAEYRE-UHFFFAOYSA-N 266.150 -0.966 50 20 CBGD COCCn1cc(CNCc2cccc(B(O)O)c2)cn1 585042275 NYPXBKMQPUEYCL-UHFFFAOYSA-N 289.144 -0.501 50 20 CBGD CC(C)(C)C(=O)NNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 730528880 QXLWSNPAYWMQFR-UHFFFAOYSA-N 292.299 -0.735 50 20 CBGD CCOCCCN1CCC(=NNC(=O)C(N)=O)[C@@H](C)C1 735224273 PZHJKKJCQRIIEJ-JTQLQIEISA-N 284.360 -0.288 50 20 CBGD COCCC1(C(=O)NNc2ccc(C(N)=O)nn2)CC1 746290403 JJXUDSPMWNUYND-UHFFFAOYSA-N 279.300 -0.165 50 20 CBGD COCCO[C@@H](C)C(=O)NN=C(C)CS(C)(=O)=O 748252464 FHGUESUNAWKPFO-VIFPVBQESA-N 280.346 -0.425 50 20 CBGD CO[C@@H]1C[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1(C)C 753558767 UKRPZULVTGMVRX-DTWKUNHWSA-N 298.343 -0.591 50 20 CBGD NC(=O)c1csc(C=NNC(=O)CN2CCCC2=O)c1 755887635 SPSRIHREOKZJHR-UHFFFAOYSA-N 294.336 -0.081 50 20 CBGD COc1nccnc1NNC(=O)CCN1CCOCC1 764464918 ILSFBKDOYQBDKR-UHFFFAOYSA-N 281.316 -0.349 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cncs1 767784877 GHCVHSCWMNSIDD-ZCFIWIBFSA-N 276.343 -0.469 50 20 CBGD CN1CC(=O)N(CCCC(=O)NN=c2cc[nH]cc2)C1=O 780757133 UCURGIDIMZPAJB-UHFFFAOYSA-N 291.311 -0.379 50 20 CBGD C[C@@]1(CCC(=O)NNC(=O)N2CCOCC2)CCC(=O)N1 793273726 QMAYQKLICSAIHZ-ZDUSSCGKSA-N 298.343 -0.492 50 20 CBGD CCOC(=O)NNC(=O)Nc1nn(C)cc1-c1nn[nH]n1 825521991 AROQXYJMMGVHLS-UHFFFAOYSA-N 295.263 -0.617 50 20 CBGD COC(=O)CCCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 825566757 ODWFKSLCAXBORV-DTWKUNHWSA-N 287.316 -0.305 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H]2NCC[C@@H]2C1 843386989 MWWNVJIRIMCZPK-HBNTYKKESA-N 268.361 -0.384 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc2ncccn2n1 843653332 DNBUFESHVTZUIP-IUCAKERBSA-N 289.295 -0.085 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CC1OCCO1 843970363 DYQKFKAJWMWXNI-JGVFFNPUSA-N 258.274 -0.678 50 20 CBGD Cc1[nH]nc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1O 843980092 RFRYAJGOOSAOOX-RQJHMYQMSA-N 268.273 -0.390 50 20 CBGD Cc1nn(CC(=O)NNc2ncncc2Cl)c(=O)n1C 847847368 IFVRTHDEMIZDAJ-UHFFFAOYSA-N 297.706 -0.523 50 20 CBGD O=CN1CCC[C@H]1C(=O)NNC(=O)c1ccccn1 854122803 WVXSMFYMSYORGQ-JTQLQIEISA-N 262.269 -0.537 50 20 CBGD CN1CC[C@@H](NC(=O)NNc2ncc(Cl)cn2)C1=O 856867386 RBWKJJFEOCAWET-SSDOTTSWSA-N 284.707 -0.013 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CC=CCC2)N1 862449845 KRBMYBXQESLBAT-RKDXNWHRSA-N 251.286 -0.231 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)C2SCCCS2)N1 862461137 NKADQRMRWXOIRR-LURJTMIESA-N 289.382 -0.391 50 20 CBGD O=C(CSC(F)F)NNC(=O)[C@@H]1CCC(=O)N1 862462065 UGOQKWWJNFGZJU-BYPYZUCNSA-N 267.257 -0.632 50 20 CBGD CCC(C)(C)NC(=S)NNC(=O)[C@@H]1CCC(=O)N1 863204279 URBCWQWIHKQNGX-ZETCQYMHSA-N 272.374 -0.051 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1CC(=O)N(CC)C1 887140920 YBMBAEXRMRNARI-JTQLQIEISA-N 265.313 -0.194 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)C[C@H]1CC(=O)N1 899998516 QYFIMFPBBUNTNI-ZCFIWIBFSA-N 258.347 -0.441 50 20 CBGD C[C@H](NS(=O)(=O)CCl)[C@H]1CN(C)CCN1C 919982109 REIBLEVVHPSQGZ-DTWKUNHWSA-N 269.798 -0.264 50 20 CBGD CONC(=O)CNS(=O)(=O)CC(C)(C)CCl 921687521 HQYZHWIFJZOTTH-UHFFFAOYSA-N 272.754 -0.152 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@H]2CCCOC2)N1 1118858883 XSAJSQITWDJJNT-BDAKNGLRSA-N 284.316 -0.978 50 20 CBGD C=C(CC)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1123483433 WQCWHZVIUKVLTK-MRVPVSSYSA-N 260.315 -0.465 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@@]1(F)CCOC1 1261219607 LCOGMGAPRHBDEO-LLVKDONJSA-N 268.248 -0.215 50 20 CBGD C=C[C@](C)(O)C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1261759858 SPVBXJHAZPFAFB-ZDUSSCGKSA-N 278.312 -0.014 50 20 CBGD Cn1cccc1C(=O)NNC(=O)C(=O)NC1CC1 1318869511 DSNBZZXNKIQOBL-UHFFFAOYSA-N 250.258 -0.935 50 20 CBGD O=C(NNC(=O)c1cccc(F)n1)C(=O)NC1CC1 1319598187 LRJGHYBPKCNQLG-UHFFFAOYSA-N 266.232 -0.740 50 20 CBGD O=C(CO)NNC(=O)c1ccn(-c2ccncc2)n1 1321228299 WJAMKQIKURQSFP-UHFFFAOYSA-N 261.241 -0.979 50 20 CBGD COC1(CO)CCN(CC(=O)NNC(=O)C2CC2)CC1 1326763806 MSLRQHYRLVWEEJ-UHFFFAOYSA-N 285.344 -0.983 50 20 CBGD Cn1nncc1NNC(=O)C1(C(=O)NC2CC2)CC1 1329009164 OUVQIDVJEDYABQ-UHFFFAOYSA-N 264.289 -0.683 50 20 CBGD O=C(CCc1nc2cccnc2[nH]1)N1CC[C@@H](B(O)O)C1 1329672199 OVXUSSXYLBGGRJ-SECBINFHSA-N 288.116 -0.034 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCc2ncncc2C1 1329807417 RJHBCYACZSIGJB-ZJUUUORDSA-N 264.329 -0.075 50 20 CBGD C[C@H](NC(=O)NNC(=O)C(=O)NC1CC1)[C@@H]1CCCOC1 1337465681 FTSKSSADKJRCNG-DTWKUNHWSA-N 298.343 -0.590 50 20 CBGD CS(=O)(=O)CCCC(=O)NNC(=O)Cc1ccncc1 1339851313 JIXJXMPTJKADGA-UHFFFAOYSA-N 299.352 -0.404 50 20 CBGD O=C1CC[C@@H](C(=O)NN=Cc2cnc3n2CCC3)N1 1348411124 IQWRYHQKDVREOI-VIFPVBQESA-N 261.285 -0.442 50 20 CBGD O=S(=O)(Cc1ccon1)N1CC[C@H](B(O)O)C1 1351729130 MWXBHLDHLMYNGL-ZETCQYMHSA-N 260.080 -0.947 50 20 CBGD CC(=O)NNC(=O)c1cc(C)c(-c2nn[nH]n2)cn1 1588869662 AMIRQKPBMLFVCI-UHFFFAOYSA-N 261.245 -0.649 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C(=O)O)C(C)C 1589424976 LBHGPVTXYHCNRH-APPZFPTMSA-N 288.300 -0.168 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccsc1-c1nn[nH]n1 1589881739 CPXGGNBLOZCWLO-LURJTMIESA-N 282.329 -0.114 50 20 CBGD CC(C)(O)[C@@H](O)C(=O)NNc1ccccc1C(=O)O 1590889718 ZRZNTTVVUZXQES-VIFPVBQESA-N 268.269 -0.040 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(C)(C)C(=O)O 1594643664 IAFLXSXMZJGRLX-YUMQZZPRSA-N 287.316 -0.147 50 20 CBGD CC[C@H](C(=O)O)C(=O)NNC(=O)c1ccnnc1 1594755173 DIAFCWPKSVEGSR-ZETCQYMHSA-N 252.230 -0.652 50 20 CBGD CCOC(=O)NNC(=O)Cn1ccc(C(=O)O)n1 1605551447 LVFPKWFCUQHLBD-UHFFFAOYSA-N 256.218 -0.641 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)C(=O)NC2CC2)cc1 9889185 HSLHDWSFGFOHJM-UHFFFAOYSA-N 291.307 -0.200 50 20 CBGD O=C(COC1CCCCC1)NNC(=O)C(=O)NC1CC1 44349938 ONKRZMSSLAFVOZ-UHFFFAOYSA-N 283.328 -0.238 50 20 CBGD CCN(CCCNS(=O)(=O)CCl)S(C)(=O)=O 82512915 LRFHZDSQCHQTML-UHFFFAOYSA-N 292.810 -0.226 50 20 CBGD CN(C)[C@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 112981826 UXYHNWXTFCDPEE-NSHDSACASA-N 268.361 -0.430 50 20 CBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccc[nH]1 157199242 ODBZTKKDYMUQAW-UHFFFAOYSA-N 287.279 -0.399 50 20 CBGD CC(C)CN1N=C(C(=O)NNC(=O)C(C)(C)O)CCC1=O 377051888 LYPAEHANIRRZHT-UHFFFAOYSA-N 298.343 -0.461 50 20 CBGD CCN1C[C@@H](C(=O)Nc2cccc(B(O)O)c2)CC1=O 404993644 FKQBWBPOXHNQNI-VIFPVBQESA-N 276.101 -0.827 50 20 CBGD COC(=O)[C@@H](O)CNC(=O)/C(C#N)=C/c1ccc(O)cc1 491174846 JBAQBRRHHMEOTI-JXPAYYINSA-N 290.275 -0.051 50 20 CBGD CC(C)(C)NC(=O)CCNC(=O)c1cccc(B(O)O)c1 584939310 IYTFBRUBGINQGN-UHFFFAOYSA-N 292.144 -0.599 50 20 CBGD C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cccc(B(O)O)c1 584950999 OQAYTSJOPUJCSV-SMDDNHRTSA-N 290.172 -0.221 50 20 CBGD C[C@H](O)[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584972546 ZVHOJHFMXXUNFO-ONGXEEELSA-N 263.102 -0.791 50 20 CBGD C[C@@]1(CO)CCCN1C(=O)c1cccc(B(O)O)c1 584973414 CGIPSQUEEIMWAS-ZDUSSCGKSA-N 263.102 -0.647 50 20 CBGD CCN1CCCN(C(=O)c2cccc(B(O)O)c2)CC1=O 584979768 FGDDGXDYRPTWSI-UHFFFAOYSA-N 290.128 -0.939 50 20 CBGD O=C(NC[C@H](O)C1CCC1)c1ccc(B(O)O)c(F)c1 584999896 NIOUOAHCIACNJY-LBPRGKRZSA-N 281.092 -0.604 50 20 CBGD CO[C@@H]1CCC[C@H]1NC(=O)c1cc(B(O)O)ccc1F 585000742 ZYJALPQFTXRSJJ-VXGBXAGGSA-N 281.092 -0.197 50 20 CBGD Cn1nccc1CNCc1ccc(B(O)O)cc1F 585017922 OCVOANOIZANRBF-UHFFFAOYSA-N 263.081 -0.471 50 20 CBGD C[C@H]1CCN(CCNCc2ccccc2B(O)O)C1 585034598 RKASOAUVDTUPOU-LBPRGKRZSA-N 262.162 -0.202 50 20 CBGD C[C@@]1(CNCc2ccc(B(O)O)cc2F)CCC(=O)NC1 585047871 HJGOMNIXHSOJKT-AWEZNQCLSA-N 294.135 -0.489 50 20 CBGD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCB(O)O 585054156 IOSMQUVMTIGEGL-UHFFFAOYSA-N 288.090 -0.553 50 20 CBGD Nc1cccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)c1 585056812 XRYLCYDGQKRGML-MRVPVSSYSA-N 270.119 -0.494 50 20 CBGD N#Cc1ccc(CS(=O)(=O)N2CC[C@@H](B(O)O)C2)cc1 585058883 SKHRMUGIPNSCCT-GFCCVEGCSA-N 294.141 -0.063 50 20 CBGD Cc1ccc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)o1 728437555 UHHBMWFZYPHMKI-MRVPVSSYSA-N 273.314 -0.024 50 20 CBGD Cn1cc(C(=O)NNC(=O)N[C@@H]2CCN(C3CC3)C2)cn1 735581120 MUQQPOFPXRTRFC-SNVBAGLBSA-N 292.343 -0.399 50 20 CBGD Cn1cc(C(=O)NNc2ccc(C#N)cc2)c(=O)n(C)c1=O 748106474 SKWPIQOKDVYSOT-UHFFFAOYSA-N 299.290 -0.287 50 20 CBGD Cn1c(N)c(C=NNC(=O)C(C)(C)C)c(=O)n(C)c1=O 749814839 GWVVUVJNAOIAPN-UHFFFAOYSA-N 281.316 -0.838 50 20 CBGD O=C(NNC(=O)c1cc(F)ccc1O)C(=O)NC1CC1 751058795 LGAOXGHMBMACEX-UHFFFAOYSA-N 281.243 -0.429 50 20 CBGD O=C(CO)NNC(=O)c1c[nH]nc1-c1ccncc1 753438000 AQSGLMFOHVOHNL-UHFFFAOYSA-N 261.241 -0.775 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 755283913 FPWBTJDSEPGUJN-QMMMGPOBSA-N 291.311 -0.890 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc2c(c1)CCO2 755719482 ZISNRPKBPAXEFZ-UHFFFAOYSA-N 251.242 -0.234 50 20 CBGD CC#CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763917877 CNZXRJDTGNGKGQ-NSHDSACASA-N 260.249 -0.003 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CN(C)CCO)c1 764176102 VENRZTUYQFZAKV-UHFFFAOYSA-N 265.313 -0.320 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2[nH]ncc2[N+](=O)[O-])n[nH]1 764752170 UQDVKDJVXWHBES-UHFFFAOYSA-N 279.216 -0.576 50 20 CBGD CCC[C@@H]1C(=O)NCCN1CC(=O)NNC(=O)C(C)(C)C 766257920 YNQJVNVBLZDCLB-SNVBAGLBSA-N 298.387 -0.220 50 20 CBGD O=C(NNC(=O)c1ccc(O)c(F)c1)C(=O)N1CCCC1 767930852 JHOVLVLVFPMCPG-UHFFFAOYSA-N 295.270 -0.085 50 20 CBGD Cc1ccn(C[C@@](C)(O)C(=O)NNC(=O)N(C)C)c(=O)c1 791128344 XPXPHDVFKWVGLA-CYBMUJFWSA-N 296.327 -0.790 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@](F)(CO)C1 802011423 AQJOYEMMHZOBOH-GZMMTYOYSA-N 261.297 -0.661 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](O)CC1 815299264 UWZIFMFNHYMDLN-ZJUUUORDSA-N 257.334 -0.221 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cnc2n1CCC2 824620861 CADRDTLLCGVEIW-UHFFFAOYSA-N 279.300 -0.484 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H]1CCCO1 826897215 GYCAVGBUOQGBBE-OPRDCNLKSA-N 271.317 -0.079 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)N[C@H]1[C@@H]2CNC[C@@H]21 841999537 FICRVFGUMFYVEE-MBTKJCJQSA-N 254.334 -0.029 50 20 CBGD CCONC(=O)CNC(=O)NNC(=O)C1CCC1 845545384 JBDBIAFPLVMPOX-UHFFFAOYSA-N 258.278 -0.815 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2CC[C@@H]2C(N)=O)n1 847542010 MQHBIGIBJUMEIT-YUMQZZPRSA-N 279.300 -0.252 50 20 CBGD O=C(CC1OCCO1)NNC(=O)CC(F)(F)F 855000074 AUJXAHQORSBCIW-UHFFFAOYSA-N 256.180 -0.151 50 20 CBGD C[C@]1(CNC(=O)CNC(=O)CN)C[C@@H]1Br 857007997 ZQQGXRBBVOCANN-IMTBSYHQSA-N 278.150 -0.649 50 20 CBGD CO[C@@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(C)C 858288209 XRDVSTGCGGUBCA-IUCAKERBSA-N 286.332 -0.734 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)Cn1nccc1C 859539066 FXKDQJRPXKWJOW-UHFFFAOYSA-N 295.343 -0.356 50 20 CBGD O=C1CC[C@H](C(=O)NN=C2CC(=O)N3CCCC[C@H]23)N1 863151039 CIMDMNDZRXGIET-PSASIEDQSA-N 278.312 -0.478 50 20 CBGD C#C[C@@H](NC(=O)c1ccc(B(O)O)cc1)[C@H]1CCCO1 863879543 VFUWSTMJGKTOAB-CHWSQXEVSA-N 273.097 -0.723 50 20 CBGD COC(OC)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 873877547 SJRVORAVWZAAJO-UHFFFAOYSA-N 296.279 -0.162 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCC(F)F 879759746 ZQJFASPISSCIQA-LURJTMIESA-N 269.248 -0.367 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H](C)NC(=O)OC 887145885 VWJQKMYZCDSBCX-QMMMGPOBSA-N 255.274 -0.318 50 20 CBGD COC(=O)Cc1occc1C(=O)NN(C)C[C@H](C)O 910150809 WBBPMULIMDNYIA-QMMMGPOBSA-N 270.285 -0.048 50 20 CBGD CN(CCS(N)(=O)=O)C(=O)[C@]1(C)C[C@H]1Br 913805013 CZSPEHGWIOMNAU-HTRCEHHLSA-N 299.190 -0.093 50 20 CBGD Cc1cc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)ncn1 1117697392 CKZHTSGHJWHGGF-VIFPVBQESA-N 282.325 -0.330 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC[S@@](C)=O 1118182634 FYAUCDPPLJNTAP-QQJLPTOTSA-N 277.346 -0.880 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1ccccc1 1118963765 XDHRHKRJFDGLNU-UHFFFAOYSA-N 270.310 -0.579 50 20 CBGD O=C(CCN1C(=O)CCC1=O)NNc1cccnn1 1254590576 GBIOABVOKGRTRM-UHFFFAOYSA-N 263.257 -0.541 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccc(C)cn1 1261457178 ZTNBBLHQNZNRJY-UHFFFAOYSA-N 266.257 -0.607 50 20 CBGD Cc1ocnc1C(=O)NNC(=O)N1CCOCC1 1318161902 WRIVDIDGRWHSCY-UHFFFAOYSA-N 254.246 -0.330 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)CCSC 1318883199 VNMAGKZWDROMCU-LURJTMIESA-N 263.319 -0.369 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)CO[C@@H]2CCOC2)n1 1320208190 GEIVOUIWCWZRRR-ZCFIWIBFSA-N 287.707 -0.039 50 20 CBGD O=C(CCO)NNC(=O)C(=O)Nc1cc(F)ccc1F 1320357480 BTMSPAPTDPKKBL-UHFFFAOYSA-N 287.222 -0.567 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cncnc1 1320382752 RIAAOSFDICHSAB-SSDOTTSWSA-N 266.257 -0.421 50 20 CBGD CO[C@@]1(C=NNC(=O)[C@H]2CCC(=O)N2)CCOC1 1329556159 FFPBIXDEXXTKGE-LDYMZIIASA-N 255.274 -0.828 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNc1nccn(C)c1=O 1330780309 XJIOMYLGHIBYGO-SSDOTTSWSA-N 267.289 -0.862 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NC/C=C\C2CC2)N1 1331314762 JTTAYMQTKXUWIN-IYABHPQVSA-N 266.301 -0.438 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C2CCOCC2)nn1 1331536818 CEBRFXXLFQPLCE-UHFFFAOYSA-N 264.285 -0.027 50 20 CBGD O=C(CCc1ccncc1)NNC(=O)[C@@H]1CCC(=O)N1 1335417849 MJDRFMNSTBQGER-JTQLQIEISA-N 276.296 -0.560 50 20 CBGD Cn1ncc(Cl)c1C(=O)NNC(=O)CN1CCCC1=O 1339721154 IAVAVOAHHPGERD-UHFFFAOYSA-N 299.718 -0.543 50 20 CBGD CCc1ncc(NC(=O)C(=O)NNC(=O)C2CCC2)cn1 1342601977 TYIUNLACGZYIKY-UHFFFAOYSA-N 291.311 -0.075 50 20 CBGD Cn1ncc(C=NNC(=O)CNC(=O)c2ccco2)c1N 1347634346 MVEVUGBYSDENKU-UHFFFAOYSA-N 290.283 -0.525 50 20 CBGD O=C(C[C@H]1CCC(=O)N1)NNC(=O)OCC(F)(F)F 1347865831 OQXDOKRIKFQKEU-RXMQYKEDSA-N 283.206 -0.025 50 20 CBGD CCO/C=C(/C#N)C(=O)N1C[C@H](O)C[C@@H]1C(=O)O 1596862091 MUDXJWBTFUBFMA-IEKVDETDSA-N 254.242 -0.523 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCCC(=O)O 1603480557 WWJHASIEGISRID-JGVFFNPUSA-N 258.274 -0.186 50 20 CBGD O=C(O)Cn1cccc(C(=O)NN=c2cc[nH]cc2)c1=O 1606355224 MCDBRHRXWKRPEK-UHFFFAOYSA-N 288.263 -0.493 50 20 CBGD O=C(CN1CC[C@@]2(C(=O)O)CCC[C@@H]12)NNC(=O)C1CC1 1608335707 XXZPTADYGDNSAS-YGRLFVJLSA-N 295.339 -0.127 50 20 CBGD COc1cc(C=NNC(=O)CO)ccc1C(=O)O 1776052707 KJLIOZJNWQZTQB-UHFFFAOYSA-N 252.226 -0.164 50 20 CBGD N#CCC(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1842621330 YCVQSKXBYSPMJS-VIFPVBQESA-N 285.731 -0.297 50 20 CBGD Cc1cc(C)nc(NNC(=O)CN(C)S(C)(=O)=O)n1 46331002 JWGIMBVBFAVBBQ-UHFFFAOYSA-N 287.345 -0.572 50 20 CBGD Cc1ncsc1C(=O)NNC(=O)C(=O)NC(C)C 46585037 MJEMYRVOTOMZHJ-UHFFFAOYSA-N 270.314 -0.263 50 20 CBGD CCNC(=O)NNC(=O)Cn1nnc2ccccc2c1=O 65190505 WTVPJJCMZDVJEV-UHFFFAOYSA-N 290.283 -0.858 50 20 CBGD CCN(CC(=O)NNC(=O)c1cnn(C)c1)C1CC1 152760607 QQKVUPVAOBGKRT-UHFFFAOYSA-N 265.317 -0.335 50 20 CBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=O)OC(C)(C)C 291401540 FCDBPGIEVMQPMF-QMMMGPOBSA-N 289.332 -0.325 50 20 CBGD CCOC(=O)N1CCN(CC(=O)NNC(=O)C2CC2)CC1 493968163 FTHAXXLLJJEVLT-UHFFFAOYSA-N 298.343 -0.682 50 20 CBGD NC(=O)NCCCCC(=O)Nc1cccc(B(O)O)c1 584909329 AYEUWWPDKUNEQP-UHFFFAOYSA-N 279.105 -0.857 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@H]1CF 584995473 UVZFXZVMXDHSME-NSHDSACASA-N 251.066 -0.060 50 20 CBGD OB(O)c1ccc(CNCCOC[C@@H]2CCOC2)c(F)c1 585020164 OVBQFEDFVHGYTC-LLVKDONJSA-N 297.135 -0.352 50 20 CBGD C[C@@]1(CO)CCC[C@H]1NCc1ccc(B(O)O)o1 585027344 QUMJGYJIYOVZKY-PWSUYJOCSA-N 253.107 -0.400 50 20 CBGD CC[C@H](C)NC(=O)[C@@H](C)NCc1ccccc1B(O)O 585032150 BXHUDYVSQLAYRJ-WDEREUQCSA-N 278.161 -0.241 50 20 CBGD OCC1(CCNCc2ccc(B(O)O)cc2F)CC1 585044498 LBJGORWSSIAYAH-UHFFFAOYSA-N 267.109 -0.242 50 20 CBGD CC(C)NC(=O)CNC(=O)NNC(=O)Cc1cccnc1 728942378 QJCWNVRZOKYSMN-UHFFFAOYSA-N 293.327 -0.521 50 20 CBGD Cc1[nH]nc(C(=O)NNC(=O)N2CCOCC2)c1[N+](=O)[O-] 729348129 LUZMZVRBNVHNPL-UHFFFAOYSA-N 298.259 -0.687 50 20 CBGD CCCNC(=O)CCCC(=O)NNC(=O)C(=O)NC1CC1 729509897 BSLKGTUCTZJKTO-UHFFFAOYSA-N 298.343 -0.891 50 20 CBGD CCC[C@@H](C)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 733140981 QVCLXKVIRKBIKM-BDAKNGLRSA-N 291.373 -0.060 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)Sc1nnc(C)n1N 735414457 XUVMWWKYMORUDZ-RXMQYKEDSA-N 272.334 -0.662 50 20 CBGD Cn1cc(C(=O)NNS(=O)(=O)C[C@H]2CCCO2)cn1 735646410 QGXSBMHFCNKBHL-SECBINFHSA-N 288.329 -0.837 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(C(=O)O)c(C)c1 737542778 JAWWIFFEJDAIOG-UHFFFAOYSA-N 287.297 -0.184 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(CC(=O)NC)CC1 746669512 COGYZJYNXLFFER-JTQLQIEISA-N 298.387 -0.220 50 20 CBGD NC(=O)C(=O)NN=Cc1cnn(Cc2ccccc2)c1 751379609 KCCMZYXJMPBNFK-UHFFFAOYSA-N 271.280 -0.133 50 20 CBGD CC[C@@H](C(=O)NNc1nccn(C)c1=O)N(C)C 754468707 PUGYHNYLBHDESL-QMMMGPOBSA-N 253.306 -0.436 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc(C(=O)NC2CC2)cc1 755580834 PQIUMULQXYLDDY-UHFFFAOYSA-N 292.295 -0.276 50 20 CBGD COC(=O)CN(C)CC(=O)NNC(=O)C(C)(C)C 757083314 ZUSJWMBPXTXMKS-UHFFFAOYSA-N 259.306 -0.715 50 20 CBGD Cc1cn2ccnc(C(=O)NNC(=O)CN(C)C)c2n1 762866846 XUYXMZASHQQUCI-UHFFFAOYSA-N 276.300 -0.640 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)c1ccccc1O 771607653 DDITXIFSWZZRTA-SECBINFHSA-N 277.280 -0.226 50 20 CBGD Cc1ncc(C(=O)NNC(=O)c2ccncc2)c(N)n1 771712297 BRGDFDOIEJIINY-UHFFFAOYSA-N 272.268 -0.163 50 20 CBGD CCO[C@@H]1C[C@@H]1C(=O)O[C@@H](C)C(=O)NNC(=O)CC 772026648 UXJKJTQLWMOGIR-XHNCKOQMSA-N 272.301 -0.100 50 20 CBGD CC[C@H](CO)C(=O)NNC(=O)CNC(=O)c1ccco1 779762829 GQSNSGYBDBHOKE-MRVPVSSYSA-N 283.284 -0.825 50 20 CBGD C=CCNC(=S)NNC(=O)CSc1n[nH]c(O)n1 798304374 MCOHJTPFQGSRHV-UHFFFAOYSA-N 288.358 -0.716 50 20 CBGD CN1CCN(C(=O)NNC(=O)CCn2ccnc2)CC1 807380519 ISKAEKVCPNNDOY-UHFFFAOYSA-N 280.332 -0.739 50 20 CBGD CCN1CCO[C@@H](C(=O)NNc2ncncc2F)C1 817077577 IVXGVDOFIUXNBH-SECBINFHSA-N 269.280 -0.221 50 20 CBGD CN1C(=O)CS/C1=C/C(=O)NNC(=O)c1cnn(C)c1 820082279 BWLCBNKRQIBAEU-XCVCLJGOSA-N 295.324 -0.772 50 20 CBGD O=C(NNC(=O)C1CCC1)c1cc(-c2nn[nH]n2)c[nH]1 823273569 QWNHAFILVUCIAJ-UHFFFAOYSA-N 275.272 -0.244 50 20 CBGD CCNC(=O)NNC(=O)[C@]1(c2ccccc2)CNC(=O)C1 823800030 YLSBQOLUROBCTF-AWEZNQCLSA-N 290.323 -0.205 50 20 CBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCCN 841919844 BVRSDETWGWQVAE-MRVPVSSYSA-N 284.291 -0.118 50 20 CBGD CCC[C@H]1CNCCN1CC(=O)NNC(=O)C1CC1 843365077 BJLREDAQNHNUTJ-NSHDSACASA-N 268.361 -0.382 50 20 CBGD C[C@@]1(CN)CCN(CC(=O)NNC(=O)C2CC2)C1 843382918 UAFRGPITNFOVOM-LBPRGKRZSA-N 254.334 -0.786 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc2ncccn2n1 843653328 DNBUFESHVTZUIP-DTWKUNHWSA-N 289.295 -0.085 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCNC1=O 854388421 JXNUDWZYGFHCHC-MRVPVSSYSA-N 287.316 -0.941 50 20 CBGD C[C@@H](NC(=S)NNC(=O)C1(O)CCOCC1)C1CC1 855099701 LQRCONLDVDYWOE-MRVPVSSYSA-N 287.385 -0.178 50 20 CBGD CCO[C@@H]1CCC[C@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858527292 PQDXXAKOUNEIGH-KXUCPTDWSA-N 298.343 -0.447 50 20 CBGD C[C@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C[C@@H](C)O1 858692727 ZJIYDPGIUBVROO-HRDYMLBCSA-N 284.316 -0.885 50 20 CBGD COC(=O)COCCNC(=O)NNc1ccc(OC)cn1 858832090 SPVJTHBZEAPNBQ-UHFFFAOYSA-N 298.299 -0.094 50 20 CBGD COCCN(C)NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C 861657219 QUTSFIKDNVCMKM-SECBINFHSA-N 291.348 -0.519 50 20 CBGD CCS(=O)(=O)N[C@@H](C)C(=O)NN[C@H](C)C(F)(F)F 862319910 MNAKIGSVGGUIJC-NTSWFWBYSA-N 291.295 -0.114 50 20 CBGD COCCOCC(=O)NNC(=O)CC[C@H]1CCCO1 869910883 NTLFLYNFHRNMBO-SNVBAGLBSA-N 274.317 -0.244 50 20 CBGD C[C@@]1(C(=O)NCc2nn[nH]n2)C[C@@H]1Br 906649370 DNHOYKNZDVDJIP-MHTLYPKNSA-N 260.095 -0.011 50 20 CBGD CN1CCO[C@H](C(=O)NNc2ncc(F)cc2F)C1=O 909546593 NNUPRXWZZKBUIK-MRVPVSSYSA-N 286.238 -0.340 50 20 CBGD CC(=O)N1CCCC[C@@H]1C(=O)NN(C)C[C@@H](C)O 910170621 NQRJYOPLIMRNSQ-MWLCHTKSSA-N 257.334 -0.269 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CN(C(C)=O)c2ccccc2O1 919879109 CBUFJAMFGSBECP-LLVKDONJSA-N 292.295 -0.239 50 20 CBGD COCC(=O)NN[C@H](C(N)=O)c1ccc(C#N)cc1 1116276585 UTPXTHRRNPWEBN-NSHDSACASA-N 262.269 -0.648 50 20 CBGD Cn1cnc(CNC(=O)NNC(=O)C2CCC2)n1 1116441831 UYGKYURMPPAFJB-UHFFFAOYSA-N 252.278 -0.554 50 20 CBGD O=C(NNC(=S)Nc1ccccn1)[C@H]1COCCO1 1261916609 YOCYKHMQADDOGQ-MRVPVSSYSA-N 282.325 -0.185 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCCC[C@H]1N(C)C 1318877037 ONJQIDLCAJOWGT-DTWKUNHWSA-N 286.332 -0.637 50 20 CBGD CCc1cc(C(=O)NNC(=O)CN(C)C)nn1C 1319990898 SWWQIKQZXAGFOH-UHFFFAOYSA-N 253.306 -0.695 50 20 CBGD Cc1nnc(O)c(C(=O)NNC(=O)NC2CC2)c1C 1322021779 XDWZJFNOMKJPCE-UHFFFAOYSA-N 265.273 -0.095 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CCCSC1 1323895957 MLRPGYYNYQNFLR-SSDOTTSWSA-N 275.330 -0.367 50 20 CBGD Cn1cc(Cl)c(C(=O)N2CC[C@H](B(O)O)C2)n1 1329215558 OWSBOJZRUODSQL-LURJTMIESA-N 257.486 -0.238 50 20 CBGD Cc1ccc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)nc1 1330029647 UCMGBLWYMRLBHL-SNVBAGLBSA-N 291.311 -0.501 50 20 CBGD CCc1nn(C)cc1C=NNC(=O)[C@@H]1CCC(=O)N1 1330141873 FXBZOKDIKFNUKT-JTQLQIEISA-N 263.301 -0.289 50 20 CBGD Cc1ccn(CC(=O)NNC(=O)C2CCOCC2)n1 1334278705 ICTWAMXTGCKGJI-UHFFFAOYSA-N 266.301 -0.234 50 20 CBGD COCCCNC(=O)NNC(=O)c1cc(OC)n(C)n1 1338256547 MNUYIZZLNYLPQP-UHFFFAOYSA-N 285.304 -0.591 50 20 CBGD O=C(C[C@]1(O)CCCNC1)NNC(=O)c1ccccc1 1340653997 UFHAKLDANFKUSG-CQSZACIVSA-N 277.324 -0.048 50 20 CBGD Cc1ocnc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1348390177 ZTHNRPZAOYMVFJ-LURJTMIESA-N 252.230 -0.977 50 20 CBGD CCN(CCO)NC(=O)c1cccc(C(=O)NC)n1 1348956921 YHUILTRIYONRRR-UHFFFAOYSA-N 266.301 -0.600 50 20 CBGD CN(N)C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 1573882913 TYPSBOAYPXYNPU-LBPRGKRZSA-N 262.269 -0.313 50 20 CBGD Cc1cc(Br)cnc1NNC(=O)[C@@H](N)CO 1574126550 BLLMUZAKLOOEMU-ZETCQYMHSA-N 289.133 -0.085 50 20 CBGD O=C(Cc1ccc(O)c(O)c1)NNC(=O)[C@@H]1CCN1 1580569790 FUZLHJIYGGXYPY-QMMMGPOBSA-N 265.269 -0.850 50 20 CBGD CNC(=O)NNC(=O)c1csc(-c2nn[nH]n2)c1 1591212735 XWSOMMXWBSLOLS-UHFFFAOYSA-N 267.274 -0.498 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1csc(C(=O)O)n1 1593457474 VWPPHTRYUPNHRN-YFKPBYRVSA-N 259.287 -0.201 50 20 CBGD O=C(O)[C@@H]1CC[C@H](C(=O)NNc2cccnn2)O1 1602177196 XTJXUDOMMXDPNQ-RQJHMYQMSA-N 252.230 -0.448 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@](C)(OC)C(=O)O 1602722959 CPFNFPKJMPRFEB-SECBINFHSA-N 261.303 -0.843 50 20 CBGD O=C(NN=C1COC1)c1ccc(-c2nn[nH]n2)cc1 1609557288 GWBPPAFYJPTVBO-UHFFFAOYSA-N 258.241 -0.017 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCC1(C(=O)O)CC1 1609878402 HPHJHNIUKJISOL-HTQZYQBOSA-N 285.300 -0.393 50 20 CBGD C#CCN1CCC(C(=O)NNC(=O)[C@@H]2CCCO2)CC1 49376723 KLWBIPFLUPSWSO-LBPRGKRZSA-N 279.340 -0.342 50 20 CBGD C[C@H](C[S@@](C)=O)N(C)CC(=O)NNC(=O)C1CC1 125905702 RPUYJCIWZOCSMA-CVJBHZAOSA-N 275.374 -0.757 50 20 CBGD COCC(=O)NN[C@H](C(N)=O)c1ccc(F)cc1 126068690 SWGKTVVOQHARES-JTQLQIEISA-N 255.249 -0.381 50 20 CBGD Cc1cc(C(=O)NNC(=O)CN(C)C)c2c(C)n[nH]c2n1 265016662 DJDUYEYEUZFXSY-UHFFFAOYSA-N 290.327 -0.103 50 20 CBGD COC(=O)N(C)CC(=O)NNc1nc(C)cc(OC)n1 266919587 KVTACNPIOORACN-UHFFFAOYSA-N 283.288 -0.065 50 20 CBGD CCNC(=O)CCCC(=O)NN(C)C(=O)NCC 272638755 CZUMAVNQAUXYLT-UHFFFAOYSA-N 258.322 -0.015 50 20 CBGD COC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)C(C)(C)O 286809460 PMLOUIWZRCGHTC-RNFRBKRXSA-N 258.274 -0.896 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@](C)(O)C2CC2)[nH]n1 288184426 BTFFPNMWXMTJPT-LLVKDONJSA-N 252.274 -0.360 50 20 CBGD COCCN(C)NC(=O)c1ccc(OCC(N)=O)cc1 293759001 YWONJIIZKSJXTR-UHFFFAOYSA-N 281.312 -0.226 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])[nH]1 293963617 JVMIKGFTNZOPCY-ZETCQYMHSA-N 268.229 -0.137 50 20 CBGD CCN(CC(=O)NC(C)C)C(=O)c1cccc(B(O)O)c1 584926791 BOSDQWJGTZSMML-UHFFFAOYSA-N 292.144 -0.647 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@H]2CCC[C@@H]21 585010219 LMWLAXFCOATLMJ-QWHCGFSZSA-N 275.113 -0.240 50 20 CBGD CN(CCNCc1cccc(B(O)O)c1)CC(F)(F)F 585023036 BNUAJHBEDHKXFR-UHFFFAOYSA-N 290.094 -0.050 50 20 CBGD CC(=O)N1CC[C@@H](NCc2ccc(B(O)O)cc2F)C1 585030028 CXJMURCXZCAION-GFCCVEGCSA-N 280.108 -0.784 50 20 CBGD NC(=O)[C@@H]1CCC[C@@H](NCc2ccc(B(O)O)cc2F)C1 585030067 OIIDAPUGEZNWNO-BXKDBHETSA-N 294.135 -0.361 50 20 CBGD CC(C)C(=O)N1CC[C@H](NCc2ccccc2B(O)O)C1 585030712 IMWRJCHNTFSOCD-ZDUSSCGKSA-N 290.172 -0.287 50 20 CBGD O=S1(=O)CCCC[C@H]1CNCc1cccc(B(O)O)c1 585035497 VCRVUNVFJQDOBI-ZDUSSCGKSA-N 297.185 -0.577 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)cc1)C(=O)N1CCCCC1 585039037 MPRWIEOIOXVTRF-GFCCVEGCSA-N 290.172 -0.143 50 20 CBGD CC(=O)NNC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc12 728204144 VTOQZUZNEVJYNO-ZETCQYMHSA-N 289.295 -0.152 50 20 CBGD COc1ccc(C(=O)NNC(=O)Cc2cccnc2)nn1 737543532 FRHGZYSYOTYPKM-UHFFFAOYSA-N 287.279 -0.116 50 20 CBGD CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCOC1 741758351 DPQMFECGMWEJIF-ZJUUUORDSA-N 274.342 -0.050 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H](C)c1cnn(C)c1 745838163 KLHSCNSCLQIOAZ-QMMMGPOBSA-N 269.305 -0.152 50 20 CBGD C[C@H](CNC(=O)NNC(=O)C(=O)N1CCCC1)C1CC1 748458580 XYWSAVMXHHFKNF-SECBINFHSA-N 282.344 -0.015 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]1C1CC1)C(=O)NC1CC1 751309000 LSKSUEFNHUUSPA-DTWKUNHWSA-N 251.286 -0.542 50 20 CBGD O=C(CO)NNC(=O)CCN1C(=O)CCc2ccccc21 753442190 ATYRJYAMYMQQEE-UHFFFAOYSA-N 291.307 -0.504 50 20 CBGD O=C(CO)NNC(=O)c1cnn(-c2ccccc2F)c1 753442310 DKNUSNHYBLSUQF-UHFFFAOYSA-N 278.243 -0.235 50 20 CBGD C[S@@](=O)c1ccc(C(=O)NNC(=O)CO)cc1 753444283 IKVBTFWTFCKMNI-QGZVFWFLSA-N 256.283 -0.823 50 20 CBGD C[C@H](C#N)C(=O)NNC(=O)CNC(=O)c1cccnc1 764343678 XWXIRRPQTUCLSF-MRVPVSSYSA-N 275.268 -0.882 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1nccs1 772155360 JQGLYHGTFRDJJQ-UHFFFAOYSA-N 256.287 -0.170 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(CO)o1 772161439 WXQWZEBSFZXCJS-SSDOTTSWSA-N 284.268 -0.125 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NN=C1COCCOC1 814763000 PVMPREZOGRLWIA-NSHDSACASA-N 285.344 -0.526 50 20 CBGD O=C(Cc1cccc(F)c1)NCC(=O)NNc1nc[nH]n1 816632274 AXTRSARIDXROIC-UHFFFAOYSA-N 292.274 -0.254 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@H](C)OC 821459549 KGMLTKKAVGVNIY-IUCAKERBSA-N 277.321 -0.597 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C=C1/SCC(=O)N1C 824016986 XJKXUBTUOGPZLK-KUYQOQRVSA-N 299.352 -0.395 50 20 CBGD CC[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)C(=O)NC 827258662 CGCXXRAPRLMUKL-YIZRAAEISA-N 286.332 -0.734 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CCCN(c2ccccc2)C1=O 827893413 DCMNUWYPJIEBOM-LLVKDONJSA-N 291.307 -0.431 50 20 CBGD CC(C)C(=O)NNC(=O)c1cnc(C(=O)O)cn1 833467892 VSSDJPVCGULRRF-UHFFFAOYSA-N 252.230 -0.408 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NN=C1CCN(CCO)CC1 842549811 RHAISVMESRVOAG-ZYHUDNBSSA-N 269.345 -0.028 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC([C@H](C)N)CC1 843348893 WPHUVSZOKQKLOI-VHSXEESVSA-N 270.377 -0.009 50 20 CBGD CCCN(CC(=O)NNC(=O)C1CC1)[C@H]1CCNC1 843349144 ITFYQDNWABCMKS-NSHDSACASA-N 268.361 -0.382 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnn2cccnc12 843644683 PKXSQAGOSHYMGQ-RKDXNWHRSA-N 289.295 -0.085 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCCC(=O)N1 843972911 WGOMVBWYYHESIZ-DJLDLDEBSA-N 269.301 -0.773 50 20 CBGD NC[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccccc1 852894085 MRJROXGKJWLSGI-QWRGUYRKSA-N 263.297 -0.189 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cc[nH]n1)[C@H](C)S(C)(=O)=O 855355918 CHZPSXBPTUJMGI-RQJHMYQMSA-N 288.329 -0.760 50 20 CBGD CC(C)CC(=O)NCCC(=O)NNC(=O)c1cc[nH]n1 855358403 JBJNQSVFFDVCOC-UHFFFAOYSA-N 281.316 -0.277 50 20 CBGD O=C(CC1OCCO1)NNC(=O)c1cccc(F)n1 856422937 IBCOWWKFOFOKHJ-UHFFFAOYSA-N 269.232 -0.255 50 20 CBGD O=C(CC1CCCC1)NNC(=O)[C@@H]1CCNC1=O 857091721 KFMJDJLPPLMGIT-SECBINFHSA-N 253.302 -0.150 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1ncc(Cl)cn1 857729160 MACJXBKEDFTVBH-UHFFFAOYSA-N 279.709 -0.878 50 20 CBGD O=C1N[C@@H](C(=O)NNC(=O)c2ccccn2)CCO1 858092211 SNVNYQRVUISORM-MRVPVSSYSA-N 264.241 -0.659 50 20 CBGD CC(C)OCCNC(=O)NNC(=O)c1cn[nH]c1 858360441 OPJZYJITQIHDFD-UHFFFAOYSA-N 255.278 -0.221 50 20 CBGD COC(=O)COCCNC(=O)NNc1ccc(C)nn1 858833304 HECKEQSAUHLTHG-UHFFFAOYSA-N 283.288 -0.399 50 20 CBGD CC(C)CO[C@@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862452421 KRUPJEQERYAERX-IUCAKERBSA-N 271.317 -0.527 50 20 CBGD COCCCOCC(=O)NNC(=O)c1cn[nH]c1 862471076 QBTBAYHPUFUDPQ-UHFFFAOYSA-N 256.262 -0.776 50 20 CBGD CON(CC1CCOCC1)C(=O)c1cccc(B(O)O)c1 863880909 IMUFYKVFGOTWOJ-UHFFFAOYSA-N 293.128 -0.203 50 20 CBGD COCCOCC(=O)NNC(=S)NCCCSC 865244193 GNECGFNPQQPJLM-UHFFFAOYSA-N 295.430 -0.102 50 20 CBGD COCCOCC(=O)NNC(=O)c1cccnc1OC 869910668 KWUDPVRXIQMDNK-UHFFFAOYSA-N 283.284 -0.486 50 20 CBGD COCc1ccc(C(=O)NNC(=O)CO)cc1F 879395845 ZDCFIBOMVDYTCM-UHFFFAOYSA-N 256.233 -0.275 50 20 CBGD C#CCCCC(=O)NNC(=O)CS(=O)(=O)C(C)C 887141970 QWQOSCSWKRPPEN-UHFFFAOYSA-N 274.342 -0.240 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1CCN(C)C1=O 887146500 AAOQVFHFJJBKCM-SECBINFHSA-N 251.286 -0.584 50 20 CBGD C#CCCCC(=O)NNC(=O)/C=C1\SCC(=O)N1C 887152117 XDZPRRNXCLAGMK-GHXNOFRVSA-N 281.337 -0.016 50 20 CBGD O=C(N[C@@H](CO)C[C@H]1CCCO1)c1cccc(B(O)O)c1 923749754 RPGIXKOEJDKTQA-CHWSQXEVSA-N 293.128 -0.974 50 20 CBGD COC(=O)C(=O)NN=C1C(=O)Nc2ccc(OC)cc21 1116195439 IGGGTPZDPLEVPX-UHFFFAOYSA-N 277.236 -0.359 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1ccncn1 1116671958 YKLVFSBZYJNZFW-UHFFFAOYSA-N 251.246 -0.837 50 20 CBGD C[C@@H]1[C@@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1(F)F 1123930890 KDSUDCZRZHVLGA-ZDLURKLDSA-N 261.228 -0.686 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1cccs1 1319002904 BSBJBMOKBKSRKU-UHFFFAOYSA-N 257.271 -0.249 50 20 CBGD CCC(=O)NNS(=O)(=O)c1cnn(CCOC)c1 1319998547 XECOTVJCGLDWAF-UHFFFAOYSA-N 276.318 -0.751 50 20 CBGD CC(C)n1cc(C(=O)NNC(=O)C(=O)NC2CC2)cn1 1320635866 GIUKACVWYDVCEH-UHFFFAOYSA-N 279.300 -0.496 50 20 CBGD CCCN(CC)CCNC(=O)NNC(=O)C(=O)OC 1322250098 XUTVTUYMFNTSKZ-UHFFFAOYSA-N 274.321 -0.778 50 20 CBGD C[C@H](CS(C)(=O)=O)NC(=O)NNC(=O)c1ccc[nH]1 1322828734 PFHLADFKORLMIG-SSDOTTSWSA-N 288.329 -0.608 50 20 CBGD C[C@H](C[S@](C)=O)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1325977312 VVUASLKJEVMYLM-RANCHNBCSA-N 291.373 -0.491 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccnc(OC)c1 1326788997 IYPQNIYZZIOLBC-UHFFFAOYSA-N 268.229 -0.584 50 20 CBGD CCNC(=O)[C@@H](C)NC(=O)NNC(=O)c1cccc(F)n1 1327553906 JWZKNSBJFPYEKY-SSDOTTSWSA-N 297.290 -0.311 50 20 CBGD CCn1nccc1C=NNC(=O)CS(C)(=O)=O 1330142800 NKOUPKJFPMJWTI-UHFFFAOYSA-N 258.303 -0.602 50 20 CBGD CCOC(Cn1cc(C(=O)NNC(C)=O)nn1)OCC 1330505237 URUFFHNHBVPWMV-UHFFFAOYSA-N 285.304 -0.542 50 20 CBGD O=C(NC[C@@H]1CCCS(=O)(=O)C1)NNc1ncccn1 1342632992 DKUPYHTZDZBWEF-VIFPVBQESA-N 299.356 -0.073 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cc2n(n1)CCC[C@H]2N 1576271886 IWAJMAVUYFNFGB-DTWKUNHWSA-N 267.333 -0.366 50 20 CBGD COc1cccc(C[C@@H](N)C(=O)NN(C)[C@H](C)CO)c1 1579273942 CISBGRVUFNZGFO-ZWNOBZJWSA-N 281.356 -0.091 50 20 CBGD O=C(NNC(=O)[C@@H]1[C@H]2CCNC[C@H]21)c1ccccn1 1580735699 CVTYRNMKKIFPIT-IQJOONFLSA-N 260.297 -0.302 50 20 CBGD Cn1cnc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)n1 1592586781 MKNQEQVUPWLRLW-UHFFFAOYSA-N 285.271 -0.248 50 20 CBGD Cc1cc(C(=O)NNC(=O)C2(C(=O)O)CC2)n[nH]1 1594281205 ZMSPELFEEOSDMI-UHFFFAOYSA-N 252.230 -0.656 50 20 CBGD O=C(N[C@H](CC1CC1)C(=O)O)c1ccc(B(O)O)cc1 1601409072 TVXNMPYWLPDDMM-LLVKDONJSA-N 277.085 -0.651 50 20 CBGD O=C1CC[C@@H](C(=O)NN=C2CC[C@@H](C(=O)O)C2)N1 1602639229 ZDNRDLXUGCIMJK-SVRRBLITSA-N 253.258 -0.378 50 20 CBGD C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)C(=O)O 1609226218 IQOUSKFPZSHQRS-YUMQZZPRSA-N 271.273 -0.617 50 20 CBGD CC(C)(C)OC(=O)CCCNC(=O)NNC(=O)C(=O)O 1609659251 INYRCCWVECCVPW-UHFFFAOYSA-N 289.288 -0.477 50 20 CBGD CN(C)C(=O)CNC(=O)NNC(=O)c1ccccc1 43715220 NGROEZJMVLPUFO-UHFFFAOYSA-N 264.285 -0.281 50 20 CBGD CS(=O)(=O)NCCC(=O)NNC(=O)c1ccccc1 47666961 XIPOYJRAUUDDBI-UHFFFAOYSA-N 285.325 -0.613 50 20 CBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccco1 122312699 BHDOZGOFVUXWRX-UHFFFAOYSA-N 288.263 -0.134 50 20 CBGD CC1(C(=O)NNC(=O)CNC(=O)c2cccnc2)CC1 160556103 IEQXTVRAJAOVMQ-UHFFFAOYSA-N 276.296 -0.241 50 20 CBGD O=C1CCCC[C@@H](C(=O)NNC(=O)c2ccccn2)N1 278928213 IRRYBJSQTNVCFK-JTQLQIEISA-N 276.296 -0.099 50 20 CBGD COC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)Cc1ccccn1 285690374 RTSMAMKNBMFNEG-QWRGUYRKSA-N 291.307 -0.029 50 20 CBGD COC(=O)N(C)NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 367515087 XPRSEAPYOYULSF-ZETCQYMHSA-N 281.272 -0.508 50 20 CBGD CC(C)NC(=O)/C(C#N)=C/c1cn(CC(=O)O)nn1 490782202 IKQDCHLTXREOHW-FPYGCLRLSA-N 263.257 -0.206 50 20 CBGD CCOC(=O)NNS(=O)(=O)c1c[nH]c(C(=O)OC)c1 492005843 GGRRLEQGJXDMFV-UHFFFAOYSA-N 291.285 -0.259 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1[C@@H]2CCCO[C@H]21 584914366 VUIYRAIIOUGXAQ-QJPTWQEYSA-N 261.086 -0.270 50 20 CBGD C[C@@H](CO)CCCNC(=O)c1ccc(B(O)O)cc1 584968000 QHKQBHXNYGTDNP-SNVBAGLBSA-N 265.118 -0.495 50 20 CBGD C[C@@H](CC(C)(C)O)NC(=O)c1cc(B(O)O)ccc1F 584995341 MXZPPAOPOXEKCR-QMMMGPOBSA-N 283.108 -0.215 50 20 CBGD O=C(N[C@H]1CC12CCOCC2)c1ccc(B(O)O)c(F)c1 584998460 QLWQLSXMLXYCMS-LBPRGKRZSA-N 293.103 -0.196 50 20 CBGD CC(C)NC(=O)[C@H](C)NC(=O)c1cc(B(O)O)ccc1F 584998797 AOJJNEAHNDILKY-QMMMGPOBSA-N 296.107 -0.852 50 20 CBGD COCC1(N(C)C(=O)c2cc(B(O)O)ccc2F)CC1 585006199 JGIUUBMBFPXYAO-UHFFFAOYSA-N 281.092 -0.244 50 20 CBGD CCN1CC[C@@H](NCc2ccc(B(O)O)o2)C[C@H]1C 585022919 DAVFIFVOZRSSMB-GHMZBOCLSA-N 266.150 -0.078 50 20 CBGD CSC[C@](C)(O)CNCc1ccccc1B(O)O 585024727 BIXVCJJCYWDPHJ-GFCCVEGCSA-N 269.175 -0.430 50 20 CBGD CO[C@H](C1CC1)[C@H](C)NCc1ccc(B(O)O)o1 585045011 ZCTHUKINKBLSPL-UFBFGSQYSA-N 253.107 -0.138 50 20 CBGD CC(=O)N[C@@H](CC(=O)NCB(O)O)c1ccc(C)cc1 585058283 WOWVNJPQMPPTNT-LBPRGKRZSA-N 278.117 -0.309 50 20 CBGD CN1CCN(C)[C@@H](CNC(=O)NNC(=O)C(C)(C)C)C1 732248039 QCXIOKJXRWEGKM-JTQLQIEISA-N 285.392 -0.391 50 20 CBGD COc1cccc(C(=O)NNC(=O)[C@H]2C[C@H]2C(=O)O)c1O 738084570 ZOKHHZZNLMBKEB-JGVFFNPUSA-N 294.263 -0.118 50 20 CBGD CC(=O)N1CC[C@](C)(C(=O)NNC(=O)c2c[nH]nc2C)C1 746848717 MFNZXRHCXMWIKG-ZDUSSCGKSA-N 293.327 -0.262 50 20 CBGD O=C(CCN1CCOCC1)NNC(=O)NCc1ccco1 751370450 DNDGCRHHVCXIDK-UHFFFAOYSA-N 296.327 -0.168 50 20 CBGD O=C1CC[C@@]2(C(=O)NNc3cccnn3)SCCN12 753090622 RUBDDSPDYIKNLD-NSHDSACASA-N 279.325 -0.015 50 20 CBGD COC(=O)C[C@H](C)C(=O)NNC(=O)Cc1cc[nH]n1 755278715 BTCSHMDYFLNESQ-ZETCQYMHSA-N 268.273 -0.701 50 20 CBGD NC(=O)c1cccc(NC(=O)NNC(=O)c2ccc[nH]2)n1 757737616 AABGHARDCBANIY-UHFFFAOYSA-N 288.267 -0.025 50 20 CBGD CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)N1CCN(C)CC1 773675358 ZKXXXMMCTHDKPJ-VHSXEESVSA-N 270.333 -0.600 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCN(C)CC1 807381201 IJVUWDARIUPGSX-VHSXEESVSA-N 270.333 -0.600 50 20 CBGD Cn1cccc1C(=O)C(=O)NNC(=O)N1CCOCC1 813427266 CQOFOYLXLYJZKR-UHFFFAOYSA-N 280.284 -0.719 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)c2cnn(C)c2)c[nH]1 815646301 GLFBHPNJQVDURK-UHFFFAOYSA-N 291.267 -0.390 50 20 CBGD COCCN1C[C@H](C(=O)NNC(=O)CC2CC2)CC1=O 819123285 VWOUSLCEQPZBEE-SNVBAGLBSA-N 283.328 -0.571 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1COCCN1C1CCCC1 821216912 ASCLQQLDODAXGU-WCQYABFASA-N 285.388 -0.026 50 20 CBGD CCN(CCO)NC(=O)c1cnn(CCOC)c1 823898150 SEHPJMADHQILSX-UHFFFAOYSA-N 256.306 -0.512 50 20 CBGD COC(=O)N(C)NS(=O)(=O)c1ccc2c(c1)nnn2C 827607162 QGGXKKFJHWHFJU-UHFFFAOYSA-N 299.312 -0.140 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCC(=O)C1 830897608 SSEMQBOGMXTJLR-HTQZYQBOSA-N 270.285 -0.155 50 20 CBGD CCC[C@@H](O)CCNC(=O)c1ccc(B(O)O)cc1 832694394 CTQWRMPMSXDXLN-GFCCVEGCSA-N 265.118 -0.353 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 832754856 URMIFIPRGRRLKH-OPRDCNLKSA-N 297.355 -0.400 50 20 CBGD CN(C)c1cnc(C(=O)NNC(=O)[C@H]2CCCCO2)cn1 833779514 TYMQPFDLCYHDKQ-SNVBAGLBSA-N 293.327 -0.127 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccc(F)n1 856427774 FCGPGFSAFNBETL-IYSWYEEDSA-N 268.204 -0.353 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H]1CCCN1C 858571905 LUZVQUULAOVPCW-MXWKQRLJSA-N 284.360 -0.164 50 20 CBGD COc1cccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 861204096 DPHRQKBVKOGSFB-ZETCQYMHSA-N 293.283 -0.479 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccnc(C3CC3)n2)N1 862455963 SZTPGSXBTJPXDC-QMMMGPOBSA-N 289.295 -0.606 50 20 CBGD COC1(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCC1 862459194 OUYSLLGMZVYXMA-MRVPVSSYSA-N 269.301 -0.628 50 20 CBGD O=C(NCC1SCCS1)c1cccc(B(O)O)c1 863884877 BBPCIRRMCAXZKE-UHFFFAOYSA-N 283.183 -0.098 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCN(CC(F)F)C2)cc1 863889363 AEPWAYBSAGBVDA-GFCCVEGCSA-N 284.115 -0.205 50 20 CBGD O=C(/C=C\CN1CCOCC1)NNC(=O)CC1CC1 868590390 OIIWTUBIRDXQKT-UPHRSURJSA-N 267.329 -0.178 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CCCN1C(=O)CNC1=O 918585070 WFGNYFOKUMLJGD-UHFFFAOYSA-N 284.316 -0.488 50 20 CBGD CCOCCO[C@@H](C)C(=O)NNc1nnc(C)c(O)n1 1115893593 IOIAOANSSIQUSC-QMMMGPOBSA-N 285.304 -0.230 50 20 CBGD O=C(NNc1ccnc(F)c1)c1nnc(O)nc1O 1116517905 QONSVPFIMNQECH-UHFFFAOYSA-N 266.192 -0.426 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)C1(O)CCOCC1 1116641800 NVPJTSIXTMQRAM-UHFFFAOYSA-N 279.296 -0.687 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)NC1CC1 1117739216 RBIIKDNAKMXRNL-ZETCQYMHSA-N 264.289 -0.667 50 20 CBGD CS(=O)(=O)c1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1 1118916063 JUMPQDBOLOEBRN-JTQLQIEISA-N 297.141 -0.221 50 20 CBGD N#Cc1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)o1 1118976726 ZPMSWVRSXLNHDX-SSDOTTSWSA-N 270.075 -0.611 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H](O)c2cccnc2)cn1 1257427639 KPVQXKPJSQOBTC-SNVBAGLBSA-N 275.268 -0.690 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 1319094574 LWVCQFVTPUBCTP-YUMQZZPRSA-N 284.316 -0.885 50 20 CBGD Cc1ccccc1CC(=O)NNC(=O)CN(C)CCO 1319842172 JXVLGMZNIAOMEI-UHFFFAOYSA-N 279.340 -0.391 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cc2n(n1)CCCO2 1321953770 JUMORKUBVBOUSJ-UHFFFAOYSA-N 290.283 -0.608 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccc(C(N)=O)o1 1323595537 MHGOMEGESHVSPL-UHFFFAOYSA-N 254.246 -0.315 50 20 CBGD COCCOCC(=O)NNc1nncc(N)c1Cl 1324009176 LNSRLZWAJJKTTM-UHFFFAOYSA-N 275.696 -0.182 50 20 CBGD CCNC(=O)NNC(=O)c1nc2ncc(C)cn2n1 1328186221 SSGJPWAEEWLWOA-UHFFFAOYSA-N 263.261 -0.603 50 20 CBGD CC(C)n1ncc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1N 1329077305 BTENXTKTMNWDOG-QMMMGPOBSA-N 294.315 -0.914 50 20 CBGD Cn1ncc(Cl)c1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329173092 SIQATWLYVKIFCT-LURJTMIESA-N 285.691 -0.887 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc[n+]([O-])cc1 1329540042 QWDPMCSVSOYEPZ-WCBMZHEXSA-N 265.269 -0.494 50 20 CBGD Cc1c(N)cccc1NC(=O)C(=O)NNC(=O)CCO 1331719499 ZLZRKJWTHYOXHK-UHFFFAOYSA-N 280.284 -0.954 50 20 CBGD Cc1ccc(NNC(=O)N[C@H](C)c2nnnn2C)nn1 1341933620 GIZFTQXXUNLJBV-SSDOTTSWSA-N 277.292 -0.304 50 20 CBGD O=C(NNC(=O)c1ccc2cccnn12)C(=O)NC1CC1 1342338696 TZCVBECLXHRYHP-UHFFFAOYSA-N 287.279 -0.626 50 20 CBGD C[C@H](CC(=O)NNC(=O)CS(C)(=O)=O)c1ccncc1 1348435512 FODOKXUOOCLEQV-SECBINFHSA-N 299.352 -0.233 50 20 CBGD O=C(NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)[C@H]1CCCCO1 1358265852 XMZUAMGNZQEJRB-NNYUYHANSA-N 298.339 -0.246 50 20 CBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ncccc1C(=O)O 1574496176 GCHJQACMIPPRMA-RNFRBKRXSA-N 278.268 -0.266 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc(CN)nc1 1576903446 JTBOABWZNWCAJS-APPZFPTMSA-N 279.300 -0.879 50 20 CBGD O=C(CC1CC1)NNC(=O)c1cnc(C(=O)O)cn1 1594678440 QPRIPBIAVNRTQT-UHFFFAOYSA-N 264.241 -0.264 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)C2CCC2)O[C@H]1C(=O)O 1599875727 CDPBUCVTFIVUGF-FTLITQJKSA-N 270.285 -0.188 50 20 CBGD COCCCNC(=O)NNC(=S)NCCCN(C)C 64937297 KULICTPQFQKHAB-UHFFFAOYSA-N 291.421 -0.347 50 20 CBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cc[nH]n2)C[C@H](C)O1 111543504 JRUIIVOKUQWHOM-UWVGGRQHSA-N 295.343 -0.330 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CCN1CCCC1=O 112703616 AWLWXUDNORUYDI-SNVBAGLBSA-N 284.360 -0.514 50 20 CBGD COC(=O)c1ccc(NNC(=O)CN(C)C)nc1 133597852 ZTOIPAXNSNTLDT-UHFFFAOYSA-N 252.274 -0.127 50 20 CBGD O=C(CO)NNC(=O)c1cc(-c2cccs2)n[nH]1 180953900 XRNSSLOQGHOUHZ-UHFFFAOYSA-N 266.282 -0.109 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NNc1ncccn1 271145536 TVBRLHAXESNSTK-SNVBAGLBSA-N 265.317 -0.112 50 20 CBGD C[C@@H](CC(N)=O)C(=O)NNC(=O)c1ccccn1 282859034 HHARFMXEMVHJOD-ZETCQYMHSA-N 250.258 -0.646 50 20 CBGD CNC(=O)CCCCC(=O)Nc1cccc(B(O)O)c1 584914416 XKORALKEDRMEHS-UHFFFAOYSA-N 278.117 -0.389 50 20 CBGD CC(C)(C)NC(=O)CNC(=O)c1cc(B(O)O)ccc1F 584925693 LHSDFTKAUCHFEA-UHFFFAOYSA-N 296.107 -0.850 50 20 CBGD CC[C@H](C)[C@](C)(O)CNC(=O)c1cccc(B(O)O)c1 584951713 LGUPGCXZKDDNCV-IINYFYTJSA-N 279.145 -0.107 50 20 CBGD CC(C)[C@H](CO)CNC(=O)c1ccc(B(O)O)c(F)c1 584990137 PMDPQYSBUXNXSU-JTQLQIEISA-N 283.108 -0.500 50 20 CBGD C[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@]1(C)CO 585009129 PXULOCNZHZRJDP-YMTOWFKASA-N 295.119 -0.404 50 20 CBGD O=S1(=O)CCC[C@H](NCc2cccc(B(O)O)c2)C1 585025423 UATZBPCTRLTCAQ-LBPRGKRZSA-N 283.158 -0.967 50 20 CBGD CC[C@@H]1CN(CCNCc2ccccc2B(O)O)CCO1 585038861 LWAMUWOEBZWUHR-CQSZACIVSA-N 292.188 -0.433 50 20 CBGD O=S(=O)(NCB(O)O)c1sccc1Br 585054985 WAFKDGHIIMNJQV-UHFFFAOYSA-N 299.964 -0.199 50 20 CBGD CC(C)[C@@H](C(=O)NCB(O)O)N1Cc2ccccc2C1=O 585063328 XQBRYFBASNUMGP-LBPRGKRZSA-N 290.128 -0.205 50 20 CBGD CC(C)CNC(=S)NNC(=O)[C@@H](C)NS(C)(=O)=O 728449250 IEZRHUJQQBSQDM-SSDOTTSWSA-N 296.418 -0.925 50 20 CBGD CCOCC(=O)NNC(=O)NCCCC(=O)OC 731278718 MKOMCNZJBYBZHX-UHFFFAOYSA-N 261.278 -0.694 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CNC(=O)C1CC1 731851579 DYRSCPPUBMZTRO-UHFFFAOYSA-N 265.273 -0.995 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)Oc1cccnc1 735464318 PJZILVIZQVJQPR-SECBINFHSA-N 294.311 -0.479 50 20 CBGD CN(C)C(=O)CCCC(=O)NNC(=O)NC1CC1 746165587 PLRVIZPTDIEUBO-UHFFFAOYSA-N 256.306 -0.262 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)Cc2ccncc2)C1 747428196 JDSKKRIPHUMRQM-LLVKDONJSA-N 278.312 -0.898 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)C[C@@H]1CCOC1 749848799 RPSVGTBOQNVHID-VIFPVBQESA-N 255.318 -0.488 50 20 CBGD CC(=O)NNC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 751059014 QHNMCYUUUPAVDM-ZDUSSCGKSA-N 290.279 -0.478 50 20 CBGD Cc1cn2ccnc(C(=O)NNC(=O)Cc3cc[nH]n3)c2n1 761738373 PIBXGKHSUNJLGZ-UHFFFAOYSA-N 299.294 -0.235 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)COCC1CC1 772015767 JPIWYSPXRHGJAF-QMMMGPOBSA-N 272.301 -0.098 50 20 CBGD C#C[C@H](NC(=O)NNC(=O)c1cnn(C)c1)[C@H]1CCCO1 773553822 ALHWMZSDNQCVTC-WDEREUQCSA-N 291.311 -0.455 50 20 CBGD COC(C)(C)CC(=O)NNC(=O)N1CCOCC1 784950884 NPVQZUPKKLTQRX-UHFFFAOYSA-N 259.306 -0.126 50 20 CBGD NC(=O)C(=O)NN=C1CC[C@H](C(=O)O)c2ccccc21 788950716 JTMKAQKLSMODKU-VIFPVBQESA-N 275.264 -0.046 50 20 CBGD CO[C@H](C(=O)NNC(=O)c1c[nH]nc1C)C1CC1 792146325 CPDQKQVIJHCTGF-VIFPVBQESA-N 252.274 -0.096 50 20 CBGD COC1(C(=O)NNC(=O)N2CCN(C)CC2)CCC1 807381259 LGEBGXTUFPPKGQ-UHFFFAOYSA-N 270.333 -0.456 50 20 CBGD COC(=O)C[C@H](C)CC(=O)NNc1nccn(C)c1=O 809706025 INUDXCIAIJRLGZ-MRVPVSSYSA-N 282.300 -0.187 50 20 CBGD C[C@@H](CC(=O)NNC(=O)C(C)(C)O)n1cccn1 819508696 RFKRFQSOAJDVLA-QMMMGPOBSA-N 254.290 -0.248 50 20 CBGD CC[C@H](C)[C@H](NCC(=O)NNC(=O)C1CC1)C(=O)O 820459816 XUWSBNJFQNAUBQ-XVKPBYJWSA-N 271.317 -0.367 50 20 CBGD CC(C)CC(=O)NNC(=O)c1ccn2nnnc2c1 820709879 MAGKJZHCPYEYMJ-UHFFFAOYSA-N 262.273 -0.069 50 20 CBGD C[C@H](CO)N(C)NC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 823969965 AKJCZKDTOWRJAB-GHMZBOCLSA-N 297.359 -0.754 50 20 CBGD C[C@@H](NC(=S)NNC(=O)CN1CCOC1=O)C1CC1 824327265 DFXQRYPJKQSWOL-SSDOTTSWSA-N 286.357 -0.268 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=O)c1ccc(C#N)cc1 824693488 GTYWULHMERNYKG-LLVKDONJSA-N 277.280 -0.019 50 20 CBGD CNC(=O)CCCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 825876905 QFJIHDWACAQYHI-BDAKNGLRSA-N 286.332 -0.732 50 20 CBGD CCN1C[C@H](NC(=O)NNc2ncncc2F)CC1=O 836607304 IHSNXTYCCMVVME-SSDOTTSWSA-N 282.279 -0.137 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(=O)n1C 843659013 GYXUUTVMBFFCIV-DTWKUNHWSA-N 279.296 -0.429 50 20 CBGD COCCN(C)NC(=O)c1cc(C)c(C(N)=O)cn1 848378426 QTQCJAMHIPRRMH-UHFFFAOYSA-N 266.301 -0.288 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H](COC)OC 854388307 FUFVOWCLCLCMQY-VIFPVBQESA-N 292.332 -0.416 50 20 CBGD O=C(CO)NNC(=O)c1ccc2c(c1)CCOC2 857170282 NGTFXNLYRBDIIW-UHFFFAOYSA-N 250.254 -0.487 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 862455494 GIPODTQWULUFFB-ZETCQYMHSA-N 278.293 -0.341 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccco1 862456879 VVBXHKJZBRCTSK-YUMQZZPRSA-N 265.269 -0.191 50 20 CBGD CCOC(=O)[C@H](CC(C)C)NNC(=O)[C@@H]1CCC(=O)N1 863379177 PTALOVWXDSPXSS-UWVGGRQHSA-N 285.344 -0.136 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CCCNC1=O 864454989 BYITUQAYUKTJLR-ZETCQYMHSA-N 256.331 -0.806 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CCc2cncn2C1 869903576 DSAWRJRJCOWYCL-JTQLQIEISA-N 296.327 -0.744 50 20 CBGD C[C@H](C(=O)NNC(=O)COc1ccccc1O)N(C)C 874442986 XOOJUXXBZXOAMO-SECBINFHSA-N 281.312 -0.132 50 20 CBGD O=S(=O)(CCCCl)N1CCN(CCCO)CC1 882041720 ZVYWJPXWLCUWRN-UHFFFAOYSA-N 284.809 -0.055 50 20 CBGD Cn1nc2c(c1C(=O)NNC(=O)N1CCOCC1)CCC2 906448848 ULQOAXWHWFUMGK-UHFFFAOYSA-N 293.327 -0.405 50 20 CBGD C[C@@H]1NC(=O)[C@@H](C)N(C(=O)c2cccc(B(O)O)c2)[C@@H]1C 911776377 BARCOCYWMRJTAJ-IVZWLZJFSA-N 290.128 -0.896 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)NCC1CC1 920859009 NSVKNKZDHJTYSH-ZETCQYMHSA-N 256.306 -0.359 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccn(C(F)F)n2)N1 1118944369 YAHOGMZCUKAILY-RXMQYKEDSA-N 287.226 -0.682 50 20 CBGD CCOCCO[C@H](C)C(=O)NNc1nccn(C)c1=O 1319352074 CXNZSNHWJWNHPH-SECBINFHSA-N 284.316 -0.335 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@H](C)c1nncn1C 1320465255 AFZBNWFAQUDWTA-HTQZYQBOSA-N 268.321 -0.588 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)C(=O)NC(C)C)[nH]1 1324163604 NCZNHEUNFLFFOI-UHFFFAOYSA-N 296.283 -0.913 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ncn(C)n1 1326294341 AXOVXIUVVIDGHH-CIUDSAMLSA-N 296.331 -0.369 50 20 CBGD Cc1cnn(CCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 1329171169 APHHYRBWKIVZGG-VIFPVBQESA-N 279.300 -0.992 50 20 CBGD Cc1nnc(COCC(=O)NN(C)[C@H](C)CO)s1 1329862359 NOHDFIBWSNAAKC-SSDOTTSWSA-N 274.346 -0.293 50 20 CBGD C#CCN(CC1CC1)C(=O)c1cccc(B(O)O)c1 1330224081 JFGQOLGXTUSWAI-UHFFFAOYSA-N 257.098 -0.148 50 20 CBGD CC(=O)NC(C)(C)C(=O)NNC(=O)C1CCOCC1 1331991486 VPXUIGVGGJNOKO-UHFFFAOYSA-N 271.317 -0.525 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNC(=S)NC(C)C 1335952083 RPVXKLDOUVCHBX-VIFPVBQESA-N 274.390 -0.389 50 20 CBGD CNC(=O)NNC(=O)c1ccc(C(=O)OC)cn1 1337770975 PTDNSMJCBJPIGJ-UHFFFAOYSA-N 252.230 -0.558 50 20 CBGD Cn1cc(N2CCN(C(=O)CCl)CC2=O)cn1 1341524563 VSXVGJLETSIIHG-UHFFFAOYSA-N 256.693 -0.166 50 20 CBGD CC(C)c1noc(CCC(=O)NNC(=O)CO)n1 1341889777 DFBSMDYIYRKKTO-UHFFFAOYSA-N 256.262 -0.735 50 20 CBGD CC(C)C(=O)NNC(=O)[C@H]1CN2CCN1C[C@H]2C 1346086375 MSSBUFLDQYNABK-NXEZZACHSA-N 254.334 -0.822 50 20 CBGD COCCn1cc(C(=O)NNc2ncccn2)nn1 1351237654 BZCYRAKKLUVYPC-UHFFFAOYSA-N 263.261 -0.529 50 20 CBGD C[C@@H]1[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)C1(F)F 1352475744 TZWLOGIQGMIUOM-XINAWCOVSA-N 270.257 -0.920 50 20 CBGD Cn1nncc1C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1 1549320461 ZZNCQLOKCKQCPS-MWLCHTKSSA-N 278.316 -0.872 50 20 CBGD CCCNC(=O)NNC(=O)[C@@]1(COC)CCCCN1 1577545078 KANWBYFFWJQZOH-LBPRGKRZSA-N 272.349 -0.115 50 20 CBGD CC[C@H](C(=O)O)N(C)C(=O)c1cccc(B(O)O)c1 1589438226 WIRDONIWDHKVTR-SNVBAGLBSA-N 265.074 -0.698 50 20 CBGD COC(OC)C(=O)NNc1cccc(-c2nn[nH]n2)c1 1591334054 MNIYEOWGOKWTQV-UHFFFAOYSA-N 278.272 -0.071 50 20 CBGD Cc1ccnc(N2CC[C@H](B(O)O)C2)c1-c1nn[nH]n1 1592274153 MRCHMYTZEINUKV-QMMMGPOBSA-N 274.093 -0.377 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNC(=S)N[C@@H](C)C1CC1 1593911023 FYODGWDUZRGDRV-CAHLUQPWSA-N 275.330 -0.620 50 20 CBGD Cn1c(C(=O)NN=c2cc[nH]cc2)ccc1-c1nn[nH]n1 1606213001 AUWUQCDEWBOGPA-UHFFFAOYSA-N 284.283 -0.221 50 20 CBGD CC1CCN(CC(=O)NNC(=O)Cc2cc[nH]n2)CC1 186158302 OPKFCJZDQSNYPI-UHFFFAOYSA-N 279.344 -0.169 50 20 CBGD CCC1CCC2(CC1)NC(=O)N(CC(=O)NN)C2=O 193442239 SMMKETAVNJEATB-UHFFFAOYSA-N 268.317 -0.133 50 20 CBGD COc1nccnc1NNC(=O)[C@H]1CCCC(=O)N1 274087265 MOKPLNNCVVVIPI-SSDOTTSWSA-N 265.273 -0.403 50 20 CBGD C[C@H](NC(=O)NNC(=O)CN(C)C)C(F)(F)F 288809399 LHNIPZLYROHQGQ-YFKPBYRVSA-N 256.228 -0.171 50 20 CBGD C[C@H](NC(=O)NNc1ncncc1F)C(=O)N(C)C 293209274 BNTKRHGUGZKOLV-LURJTMIESA-N 270.268 -0.282 50 20 CBGD C[C@H]1C[C@@H](O)CN1CC(=O)NNC(=O)c1ccccc1 384933227 IBGVUFKQUZYYPZ-CMPLNLGQSA-N 277.324 -0.097 50 20 CBGD CCNC(=O)NNC(=O)[C@@H](NC(=O)OC)C(C)C 491282508 NIXNVAOQHWGTLW-ZETCQYMHSA-N 260.294 -0.283 50 20 CBGD COC[C@H](C)CN(C)C(=O)c1ccc(B(O)O)c(F)c1 584960206 JWEUXOVWMUQJMJ-SECBINFHSA-N 283.108 -0.140 50 20 CBGD COC[C@@](C)(C#N)NC(=O)c1cccc(B(O)O)c1 584962066 HPGNJTZLJWZACV-GFCCVEGCSA-N 262.074 -0.975 50 20 CBGD C/C=C/C[C@H](CO)NC(=O)c1cccc(B(O)O)c1 584978856 YRTXILRGGAISFC-QAVQXKDTSA-N 263.102 -0.577 50 20 CBGD CC[C@@H](C)C[C@@H](CO)NC(=O)c1ccc(B(O)O)cc1 585003889 TZUUMKVXRNQUSP-MFKMUULPSA-N 279.145 -0.107 50 20 CBGD C[C@H](Cn1ccnc1)NCc1cccc(B(O)O)c1 585018324 UVSNCGFTKLITLZ-LLVKDONJSA-N 259.118 -0.259 50 20 CBGD CCN(CC)C(=O)CNCc1cccc(B(O)O)c1 585019438 MVHOUJJGOASWEK-UHFFFAOYSA-N 264.134 -0.676 50 20 CBGD CC[C@@H](C)NC(=O)CCNCc1ccccc1B(O)O 585020679 FWZQRYYKLLAVJH-LLVKDONJSA-N 278.161 -0.239 50 20 CBGD C[C@H]1[C@H](CNCc2ccccc2B(O)O)N(C)CCN1C 585043356 NHTBOVBYHBBQRS-WFASDCNBSA-N 291.204 -0.910 50 20 CBGD CCOc1ccccc1OCC(=O)NCB(O)O 585055979 HXIGICXQDUWQMZ-UHFFFAOYSA-N 253.063 -0.408 50 20 CBGD Cc1cc(S(=O)(=O)NCB(O)O)cc([N+](=O)[O-])c1F 585056031 OBPXVIZGJNBEAO-UHFFFAOYSA-N 292.053 -0.667 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccnc(N(C)C)c1 733154515 KDOIMVVGALITAD-UHFFFAOYSA-N 296.327 -0.428 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnn2cccnc12 733359270 BQQWJSGCYHNFTB-UHFFFAOYSA-N 262.273 -0.948 50 20 CBGD O=C(NCc1ccco1)NNC(=O)[C@H]1C[C@@H]1C(=O)O 739447517 HYFCRJBCJZRWBL-YUMQZZPRSA-N 267.241 -0.169 50 20 CBGD CC[C@@H](C)NC(=S)NNC(=O)C(=O)NC(C)C 749761675 HBQWEMMJWAADPI-SSDOTTSWSA-N 260.363 -0.195 50 20 CBGD O=C1C[C@H](C(=O)NNC(=O)c2ccccn2)CCN1 760211081 MHEQDEAKWHQNGU-MRVPVSSYSA-N 262.269 -0.631 50 20 CBGD CN(CC(=O)NNc1ncc(F)cn1)C(=O)C1CC1 760905451 ISHXICALJJHKRI-UHFFFAOYSA-N 267.264 -0.073 50 20 CBGD COC(=O)CNC(=O)NN=C(C)c1csnn1 814900993 RLOANGLGOVSADH-UHFFFAOYSA-N 257.275 -0.266 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CCC[C@H](C(N)=O)C1 823879378 KZYILNYYKLJFBL-UWVGGRQHSA-N 257.334 -0.377 50 20 CBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC1CC1 826445434 UMTYXVZHGKHIHZ-UHFFFAOYSA-N 276.260 -0.699 50 20 CBGD CN(C)CCNC(=S)NNC(=O)[C@H]1CCCCO1 840775460 PRTWTABRSOBCHU-SECBINFHSA-N 274.390 -0.388 50 20 CBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNC(=O)NC1CCCC1 841387367 SKXPQPJNTBSHKA-HTRCEHHLSA-N 270.289 -0.244 50 20 CBGD O=C(NNc1cccnc1Cl)[C@H]1CCS(=O)(=O)N1 846256256 JQHGZFGDVYNZTE-SSDOTTSWSA-N 290.732 -0.130 50 20 CBGD COc1ccc(NNC(=O)Cn2nc(C)n(C)c2=O)nc1 847845613 WBEIJCCQTMFZMM-UHFFFAOYSA-N 292.299 -0.563 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H]2NC(=O)CC[C@H]2C1 852497935 XWJJLEHJXLWSTL-GARJFASQSA-N 296.371 -0.467 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 854924928 XGQZKNHXULESSD-SSDOTTSWSA-N 296.356 -0.770 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H](C)NC(=O)c1ccoc1 854925273 CVIAFIPDLCFJCN-ZETCQYMHSA-N 284.341 -0.135 50 20 CBGD CCOC(=O)C(C)(C)C(=O)NNC(=O)c1cc[nH]n1 855357210 DKLJGBYHRJRTDP-UHFFFAOYSA-N 268.273 -0.240 50 20 CBGD CC1(C)OCC(NC(=O)c2ccc(B(O)O)cc2)CO1 863879046 MSRYQXFVKAMJGB-UHFFFAOYSA-N 279.101 -0.752 50 20 CBGD O=C(/C=C/CN1CCOCC1)NNC(=O)[C@@H]1CCCCO1 868619807 SMAGJZIIDSHBPN-PYEVWLCESA-N 297.355 -0.409 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc2nccn2c1 869068607 SJBJPVHJPZHELH-PSASIEDQSA-N 289.295 -0.085 50 20 CBGD Cc1nnc2ccc(C(=O)NN(C)C[C@@H](C)O)cn12 910156018 QGBVBLZJZLKGNA-MRVPVSSYSA-N 263.301 -0.005 50 20 CBGD C[C@H](O)CN(C)NC(=O)CCCNC(=O)C1CC1 910171627 ZOEZTINRENLKMV-VIFPVBQESA-N 257.334 -0.363 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)Cn1cc(Cl)cn1 913733051 UAVISFZCFBAQJW-UHFFFAOYSA-N 299.718 -0.694 50 20 CBGD CCN(CC)CC(=O)NNC(=O)CN1CCCC1=O 920433097 NPNLZLGHUJCNEK-UHFFFAOYSA-N 270.333 -0.902 50 20 CBGD CO[C@H](C=NNC(=O)c1ncon1)[C@@H]1CCOC1 1120246497 ROJAXHFCMWWAMJ-HTQZYQBOSA-N 254.246 -0.163 50 20 CBGD O=C(CN1CCCC1=O)NN=Cc1cnc2n1CCOC2 1262167248 FRPBBPKTMUFTQZ-UHFFFAOYSA-N 291.311 -0.514 50 20 CBGD O=C(CO)NNC(=O)C1CCN(C(=O)N2CCCC2)CC1 1319876970 IQYWRAXZIFUASO-UHFFFAOYSA-N 298.343 -0.946 50 20 CBGD COC(=O)C(=O)NN=Cc1cnc(N(C)C)s1 1322999965 OMFZTQGHVIMIRP-UHFFFAOYSA-N 256.287 -0.168 50 20 CBGD CCn1cnnc1CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1325960703 IUJPDYVIFHEBIB-RKDXNWHRSA-N 296.331 -0.447 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCN(C)C1CC1 1326748881 JAZGDHNTVPQFJZ-GXSJLCMTSA-N 284.360 -0.164 50 20 CBGD CC(C)c1cc(C(=O)NNC(=O)C(=O)NC2CC2)no1 1327941721 XRDZGMMWCLJBQX-UHFFFAOYSA-N 280.284 -0.162 50 20 CBGD Cn1nncc1NNC(=O)CCCn1ccccc1=O 1328636151 GGWWZQYLOISRCJ-UHFFFAOYSA-N 276.300 -0.100 50 20 CBGD Cn1nncc1NNC(=O)[C@@H]1CCc2cnn(C)c2C1 1331132812 RVQVJHZCMKIZHP-MRVPVSSYSA-N 275.316 -0.203 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1=CCOCC1 1332467167 BREFIWHLRGDRQB-SCZZXKLOSA-N 254.286 -0.095 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccnn1C(C)(C)C 1337962042 XGODQFOOHCUUCC-UHFFFAOYSA-N 267.289 -0.256 50 20 CBGD CC[C@@H](C#N)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1349522143 OICPXNVQZUEFHY-JGVFFNPUSA-N 288.329 -0.946 50 20 CBGD O=C(NC[C@H]1CCCNCC1)NNC(=O)[C@H]1CCCO1 1580655502 YGHIZRHPTDQXEP-WDEREUQCSA-N 284.360 -0.115 50 20 CBGD Cc1nnc(NNC(=O)C2(C(=O)O)CCC2)n1C 1594493203 TZWSCLGYXSIRMB-UHFFFAOYSA-N 253.262 -0.178 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)N[C@H]1C[C@@H](C(=O)O)C1 1594783003 RFDFVYZDAHKTKD-JDDHQFAOSA-N 297.311 -0.253 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccccc1C(=O)O 1603052738 RMZWSSWBNCASSA-UHFFFAOYSA-N 258.255 -0.286 50 20 CBGD O=C(O)c1cnc(C(=O)NNC(=O)C2CCC2)cn1 1606537147 AZEKGBLIQCQHIL-UHFFFAOYSA-N 264.241 -0.264 50 20 CBGD Cn1ccc(NNC(=O)CN2CCC[C@H](C(=O)O)C2=O)n1 1608127916 OTNZXEOAXDKKDK-QMMMGPOBSA-N 295.299 -0.814 50 20 CBGD O=C(O)C(=O)NN=C1C(=O)Nc2c(F)cccc21 1610714260 LSTLYCCBRDHHIM-UHFFFAOYSA-N 251.173 -0.317 50 20 CBGD Cc1cnc(C(=O)NNC(=O)[C@@H]2CCCO2)cn1 42969190 PUKWNWNRQDMOFH-VIFPVBQESA-N 250.258 -0.275 50 20 CBGD CC(C)NC(=O)NNC(=O)CCSc1nnnn1C 49467588 KORURDWXDPTVNO-UHFFFAOYSA-N 287.349 -0.569 50 20 CBGD O=C(CCN1C(=O)CCC1=O)NNC(=O)NC1CCCC1 65920640 DWCHAQXWQKDKSO-UHFFFAOYSA-N 296.327 -0.202 50 20 CBGD CC(=O)NNC(=O)CNC(=O)N1CCc2ccccc2C1 111540586 LKAJOSLJPDHXNU-UHFFFAOYSA-N 290.323 -0.078 50 20 CBGD CCN(CC)C(=O)CCC(=O)NNC(=O)N(C)C 129839213 SYDHVDYFEFJORF-UHFFFAOYSA-N 258.322 -0.063 50 20 CBGD COCC(=O)NNC(=O)COc1ccccc1O 264426836 ADVLXADZYDBPRR-UHFFFAOYSA-N 254.242 -0.435 50 20 CBGD CCCCOCC(=O)NNC(=O)C(=O)N1CCCC1 265359206 AQBSETRPXHINAI-UHFFFAOYSA-N 271.317 -0.427 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NCCNC(=O)c1ccn[nH]1 272575461 OYUKIIIWUTZNJX-UHFFFAOYSA-N 296.331 -0.484 50 20 CBGD COC(=O)c1cc(S(=O)(=O)NNC(C)=O)cs1 274758346 QEWHFXMBVQOGRR-UHFFFAOYSA-N 278.311 -0.136 50 20 CBGD CNC(=O)NNC(=O)[C@@H](C)NC(=O)CC(C)(C)C 275096968 DNVVZWFPVYEJSB-SSDOTTSWSA-N 258.322 -0.113 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 279528615 BVHRRYXLZPGJLQ-NKWVEPMBSA-N 273.289 -0.425 50 20 CBGD COC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)Cc1ccccn1 285690370 RTSMAMKNBMFNEG-GHMZBOCLSA-N 291.307 -0.029 50 20 CBGD CC(C)(O)CNC(=O)c1ccc(B(O)O)c(F)c1 584954229 KBHWZPBBVSNZQF-UHFFFAOYSA-N 255.054 -0.994 50 20 CBGD C[C@H]1C[C@H](CNC(=O)c2cccc(B(O)O)c2)CCO1 584970239 NMGLSGQZHPCKCS-WDEREUQCSA-N 277.129 -0.089 50 20 CBGD O=C(NCC1=CCCOC1)c1ccc(B(O)O)cc1 584990662 ZQAWJLQFXTUGNC-UHFFFAOYSA-N 261.086 -0.557 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCOC(F)(F)C1 584992474 LFFBBZMKJAYHAD-UHFFFAOYSA-N 289.018 -0.429 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@@H]1CCO 584997602 GOGQPXJBVOJZKP-SNVBAGLBSA-N 281.092 -0.508 50 20 CBGD CC(C)C(=O)N1CC[C@@H](NCc2ccc(B(O)O)o2)C1 585031406 ULVUCAGARRHFCA-SNVBAGLBSA-N 280.133 -0.694 50 20 CBGD OB(O)c1ccc(CNC[C@@H](O)C(F)F)c(F)c1 585039970 XSLQJJTXEJSXOC-SECBINFHSA-N 263.024 -0.779 50 20 CBGD OC[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NCc1ccc(B(O)O)cc1 585040288 ICXQVFDDHVEAMW-DDHJSBNISA-N 275.157 -0.137 50 20 CBGD CC1(C)NC(=O)CC[C@@H]1NCc1ccc(B(O)O)cc1F 585041825 HFWKKJRWBQEZIX-LBPRGKRZSA-N 294.135 -0.348 50 20 CBGD CC(C)(C)N1CC[C@@H](NCc2ccc(B(O)O)o2)C1 585045209 DOMXLMPNWDFNGN-SNVBAGLBSA-N 266.150 -0.078 50 20 CBGD O=C(NCB(O)O)c1cc(O)nc2ccc(F)cc12 585060781 YLOUSQIOUFISLY-UHFFFAOYSA-N 264.021 -0.179 50 20 CBGD Cc1nc(SCC(=O)NNC(=O)c2c[nH]nc2C)n[nH]1 746234719 HDRPBKIKBNNVHM-UHFFFAOYSA-N 295.328 -0.302 50 20 CBGD O=C(CN1CC[C@H]([C@H]2CCOC2)C1)NNC(=O)C1CC1 750263273 TVQPBQYVIMBHMI-RYUDHWBXSA-N 281.356 -0.098 50 20 CBGD O=C(CO)NNC(=O)COCCc1ccccc1 753438424 FCEHUESDNXAKAD-UHFFFAOYSA-N 252.270 -0.615 50 20 CBGD CC(C)Cn1cc(NC(=O)NNC(=O)CO)cn1 756804636 VRIIEJXFJIZNJU-UHFFFAOYSA-N 255.278 -0.316 50 20 CBGD O=C(NNC(=O)c1ccc2nnc(O)n2c1)c1cccnc1 762933069 SXUDMZIEHSSJEE-UHFFFAOYSA-N 298.262 -0.095 50 20 CBGD CCCNC(=O)NNC(=O)c1ccc2nnc(O)n2c1 762965501 FOTNGWIQOGCFSI-UHFFFAOYSA-N 278.272 -0.211 50 20 CBGD O=C(CO)NNC(=O)Nc1cccc(OCC(F)F)n1 765331932 HUCAIEVSRPDFDV-UHFFFAOYSA-N 290.226 -0.130 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(C(=O)NC)CCC1 772091172 MVMLNOXNYGCUTL-QMMMGPOBSA-N 299.327 -0.608 50 20 CBGD COC(=O)CNC(=O)NN=C(C)c1cnnn1C 814900910 NRQJVRJFOHZFKJ-UHFFFAOYSA-N 254.250 -0.989 50 20 CBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)C1CCCC1 821754478 FNKAMUOGFJDHEP-QMMMGPOBSA-N 291.373 -0.348 50 20 CBGD CCN(CCO)NC(=O)c1sccc1-n1cnnn1 823846241 GKTLLOIHUUSFIV-UHFFFAOYSA-N 282.329 -0.317 50 20 CBGD CCN(CCO)NC(=O)C(C)(C)N1CCOCC1 823878926 AIHINRRJXGUGIQ-UHFFFAOYSA-N 259.350 -0.557 50 20 CBGD COCC(=O)NNC(=O)Nc1ccnc(COC)n1 825489911 QWIWXDDTJNPLCF-UHFFFAOYSA-N 269.261 -0.578 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](C)[C@@H](C(=O)O)C1 828570357 AURFSJAZSACQKY-VGMNWLOBSA-N 271.317 -0.415 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H](C)C[C@H](C)N)n1 831203400 UZQNOVTUWJNERL-IUCAKERBSA-N 296.375 -0.044 50 20 CBGD O=C(Cc1ccsc1)NNC(=O)NC1CN(C(=O)O)C1 831561920 BQDMVDISBUXYDP-UHFFFAOYSA-N 298.324 -0.017 50 20 CBGD CO[C@H](C)CS(=O)(=O)NNC(=O)[C@H]1CCO[C@H]1C 842589800 LCZNNAJHDGFJAK-VGMNWLOBSA-N 280.346 -0.603 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCC(=O)C1 843792092 HAFKXDRCCJHNJB-ZETCQYMHSA-N 250.258 -0.152 50 20 CBGD COC(=O)[C@@H](O)C1CCN(S(=O)(=O)CCl)CC1 849384946 YGFHMVJEEINNBM-QMMMGPOBSA-N 285.749 -0.242 50 20 CBGD CNC[C@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1 851682557 UXIRAGQANUYAOE-DTWKUNHWSA-N 258.322 -0.506 50 20 CBGD O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1CC(=O)N1 854238375 XIISEVHLOHFVOF-SECBINFHSA-N 281.699 -0.082 50 20 CBGD C[C@](O)(C(=O)NNC(=O)c1cc[nH]n1)C1CCC1 855355713 FMOYTPHITXMGTL-LLVKDONJSA-N 252.274 -0.278 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccc2nccn2c1 869909364 SQGASVHZVDPNDP-UHFFFAOYSA-N 292.295 -0.242 50 20 CBGD CCOCc1cn(CC(=O)NNC(=O)C(C)C)nn1 881299304 FIDVQCJRFYQOBJ-UHFFFAOYSA-N 269.305 -0.382 50 20 CBGD C[C@H](CC[S@](C)=O)NC(=O)c1ccc(B(O)O)cc1 900880206 SQZOKCXAUZMGLJ-HOGDKLEQSA-N 283.158 -0.747 50 20 CBGD O=C1CC[C@@H]2[C@@H]1[C@@H]2C(=O)NNC(=O)N1CCOCC1 906449358 BWPLWWNAXJDREQ-FKTZTGRPSA-N 267.285 -0.716 50 20 CBGD O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1CCC(=O)N1 913156201 SQIDTNLAOMVNDO-SNVBAGLBSA-N 279.271 -0.206 50 20 CBGD NC(=O)C(=O)NNC(=O)CCOc1ccccc1 917359945 QNWCEAMYZCNTGH-UHFFFAOYSA-N 251.242 -0.912 50 20 CBGD O=C(NNC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21)C(=O)NC1CC1 929448256 JLLHYDSAKUPTHD-KHUJYXKRSA-N 277.324 -0.296 50 20 CBGD CCOCC(=O)NNC(=O)NCc1nc(C2CC2)no1 1116010538 ACYOCIWDUSIBTM-UHFFFAOYSA-N 283.288 -0.186 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@@H](C)CS(C)(=O)=O 1116237999 VGUKFZYPJKANJL-ZETCQYMHSA-N 265.335 -0.594 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2CCO[C@@H]2C)nc1O 1116457112 HOKCHLUEYVOPPK-RQJHMYQMSA-N 253.262 -0.246 50 20 CBGD CCn1cc(CNC(=O)NNC(=O)c2cnn(C)c2)cn1 1117311329 JQPYEHMGORLODH-UHFFFAOYSA-N 291.315 -0.219 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ncn(C)n1 1118125644 XBQQNAGOEPKFEC-SFYZADRCSA-N 282.304 -0.930 50 20 CBGD CCCN1CC[C@H](NC(=O)NNC(=O)C2CCNCC2)C1 1118548110 GXGIIGHEJQJHPN-LBPRGKRZSA-N 297.403 -0.199 50 20 CBGD N#CCCCCS(=O)(=O)N1CC[C@@H](B(O)O)C1 1118973892 DEVJIRFTGRBPFD-SECBINFHSA-N 260.124 -0.441 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)[C@H]1CCOC1 1119083578 HUFDMUFFUZLJOF-CIUDSAMLSA-N 284.316 -0.980 50 20 CBGD C=C(C)CCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1120615296 OBROADYJGHFUHZ-SECBINFHSA-N 274.342 -0.075 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)c1cnn(C)c1 1320200589 OFUDKBCIBAKLQJ-UHFFFAOYSA-N 253.262 -0.705 50 20 CBGD CCNC(=O)c1ccc(NC(=O)NNC(=O)CCO)cc1 1320228277 OSRNMXXLZURVOQ-UHFFFAOYSA-N 294.311 -0.029 50 20 CBGD COCCn1cc(C(=O)NN(C)C(N)=O)c(C)n1 1320285753 ONHYOYKKPOHTHG-UHFFFAOYSA-N 255.278 -0.507 50 20 CBGD Cc1cnn(CC2CC2)c1NC(=O)NNC(=O)CO 1321024323 SKPCPDBOYMDZAU-UHFFFAOYSA-N 267.289 -0.253 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccc(O)c(F)c1 1322248680 IIVCRIRBYPWSER-UHFFFAOYSA-N 285.231 -0.465 50 20 CBGD CC(CCCO)=NNC(=O)[C@H]1CCS(=O)(=O)C1 1324202246 ODUSDLUEUQWQRL-VIFPVBQESA-N 262.331 -0.314 50 20 CBGD COC(=O)CN(CC(=O)NNC(=O)C1CC1)CC(C)C 1324254734 HPFAYEDJFLHZJK-UHFFFAOYSA-N 285.344 -0.325 50 20 CBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cccc(C)c1F 1324362374 NFGFZVNMZKXEIH-UHFFFAOYSA-N 297.242 -0.607 50 20 CBGD CCn1nncc1C(=O)NNC(=O)Cc1ccncc1 1326467405 PLGKOYSRNBMQPW-UHFFFAOYSA-N 274.284 -0.303 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@]1(F)CCOC1 1326553837 WGDMVBIVZWYSON-WRWORJQWSA-N 276.264 -0.396 50 20 CBGD O=C(Cc1ccc(O)cc1)NNC(=O)[C@H]1CCC(=O)N1 1329273399 JBLAYFXTBIVLBA-SNVBAGLBSA-N 277.280 -0.639 50 20 CBGD Cn1cccc1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1331297655 PIMJXMLLKXFHIU-SECBINFHSA-N 279.300 -0.866 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C[C@H]2CC(=O)N2)o1 1334250904 KPXIIJUYGABAIT-SSDOTTSWSA-N 251.242 -0.372 50 20 CBGD CN(C)C(=O)C1CCC(C(=O)NN(C)C(N)=O)CC1 1347742581 KWMDBIRGZGRGLR-UHFFFAOYSA-N 270.333 -0.077 50 20 CBGD CN(NC(=O)[C@]1(N(C)C)COc2ccccc2C1)C(N)=O 1348188814 VYRZYCZJJICXHE-CQSZACIVSA-N 292.339 -0.036 50 20 CBGD COC(=O)CC1CC(=NNC(=O)C(=O)NC2CC2)C1 1348978610 MWGZUBSTYOAHHA-UHFFFAOYSA-N 267.285 -0.290 50 20 CBGD CCOc1ccc(C(=O)NNC(=O)NCCN)cc1OC 1573800924 BGMOXGNQANJFJR-UHFFFAOYSA-N 296.327 -0.003 50 20 CBGD CCCC[C@H](O)CCC(=O)NNC(=O)[C@@H]1CCN1 1577418828 FDHWHMFLDOYEQJ-UWVGGRQHSA-N 257.334 -0.173 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1NC2 1579057233 WLRVRCIXTDNVBT-OUAUKWLOSA-N 285.344 -0.815 50 20 CBGD Cc1cccc(C(=O)NNC(=O)NCC2[C@H]3CNC[C@H]23)n1 1579750409 OREQWYLDIUTOOI-UWVGGRQHSA-N 289.339 -0.201 50 20 CBGD NC[C@]1(C(=O)NNC(=O)C2CCC2)CCCOC1 1580235960 JTZVEHBDAPNKQP-GFCCVEGCSA-N 255.318 -0.311 50 20 CBGD O=C(CC1(O)CCNCC1)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 1580501633 XXDNIUCOUKBLFM-OUAUKWLOSA-N 297.355 -0.794 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CC[C@@H]1C(=O)O 1589415645 KJJHKMRNLZGODR-KDXUFGMBSA-N 270.285 -0.330 50 20 CBGD COC1CCC(CCNC(=O)NNC(=O)C(=O)O)CC1 1599099557 AMAIAIRORDTYAO-UHFFFAOYSA-N 287.316 -0.003 50 20 CBGD CCOCC(=O)NNC(=O)Nc1cc(C(=O)O)n(C)c1 1605618453 KUAGKHUIJWPOJP-UHFFFAOYSA-N 284.272 -0.088 50 20 CBGD N#CSCCCNC(=O)Cn1cnc(-c2nn[nH]n2)n1 1606354452 HUPUKUDTRMMBFL-UHFFFAOYSA-N 293.316 -0.821 50 20 CBGD NC(=O)C(=O)NN=Cc1ccc(/C=C\C(=O)O)o1 1776015826 KMOTXERCPAFTDY-UHQOBQMLSA-N 251.198 -0.687 50 20 CBGD CCNC(=O)NNC(=O)CCSc1nnnn1C 49164224 XBMLXTRCWGZORX-UHFFFAOYSA-N 273.322 -0.957 50 20 CBGD Cc1ccn(CC(=O)NNC(=O)c2cnn(C)c2)c(=O)c1 194726984 UNNGMZXJHDJEHK-UHFFFAOYSA-N 289.295 -0.649 50 20 CBGD COC(=O)[C@H]1C[C@H]1C(=O)NNC(=O)c1ccccn1 263851360 NRRNFMRFCBCNJE-SFYZADRCSA-N 263.253 -0.348 50 20 CBGD CC1=C(C(=O)NNC(=O)C(=O)NC(C)C)CCCO1 270158032 YBYVOPSSICOQNF-UHFFFAOYSA-N 269.301 -0.257 50 20 CBGD CNC(=O)NCC(=O)NNc1cc(Cl)nc(N)n1 274910159 ISGJYURQAODCPR-UHFFFAOYSA-N 273.684 -0.916 50 20 CBGD COCC(=O)NNC(=O)c1cccc(OC)c1O 299108280 VOEOJKFIMDIUTO-UHFFFAOYSA-N 254.242 -0.192 50 20 CBGD CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1ccc[nH]1 299441534 FXOFKDAZWUTTII-SNVBAGLBSA-N 264.285 -0.213 50 20 CBGD COc1nccnc1NNC(=O)[C@]1(C)CCN(C(C)=O)C1 370382499 TVJFKANJSZWDBL-CYBMUJFWSA-N 293.327 0.187 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)NCCCOC)C1 377940274 AWCPUJLUJGIMEQ-JTQLQIEISA-N 288.348 -0.926 50 20 CBGD COCCOCCC(=O)Nc1cccc(B(O)O)c1 584910172 NICRYNYAGHMACX-UHFFFAOYSA-N 267.090 -0.642 50 20 CBGD O=C(CNCC(F)(F)F)Nc1cccc(B(O)O)c1 584910867 RSKZQJVXMFATLX-UHFFFAOYSA-N 276.023 -0.543 50 20 CBGD C[C@@H](NC(=O)c1cccc(B(O)O)c1)C(=O)NC(C)(C)C 584933228 FPALVFVRTHGFDW-SECBINFHSA-N 292.144 -0.601 50 20 CBGD CN(C)[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584939886 MFYMNMFNEPKFMR-CYBMUJFWSA-N 276.145 -0.467 50 20 CBGD O=C(NCc1nncn1C1CC1)c1cccc(B(O)O)c1 584942836 YFBWCHAHNYGOEQ-UHFFFAOYSA-N 286.100 -0.777 50 20 CBGD COC(C)(C)CN(C)C(=O)c1ccc(B(O)O)cc1 584958723 ROSMQDHNDMNATR-UHFFFAOYSA-N 265.118 -0.137 50 20 CBGD O=C(N[C@H]1CCc2n[nH]cc2C1)c1ccc(B(O)O)cc1 584963178 QHFTZLIPTHDGRI-LBPRGKRZSA-N 285.112 -0.623 50 20 CBGD O=C(N[C@@H](CO)CC1CCC1)c1ccc(B(O)O)cc1 584991587 DWTBGBBJITWZCE-CYBMUJFWSA-N 277.129 -0.353 50 20 CBGD C[C@@H](CNC(=O)c1ccc(B(O)O)cc1)CN(C)C 584993431 YMRJDNBKSFRQBM-JTQLQIEISA-N 264.134 -0.706 50 20 CBGD C[C@@H]1C[C@H](CO)CN(C(=O)c2cc(B(O)O)ccc2F)C1 584999276 FAESFIOJUMSIJU-ZJUUUORDSA-N 295.119 -0.404 50 20 CBGD C[C@H](NCc1ccccc1B(O)O)C(=O)N1CCCCC1 585021059 FNCFNKVBOYRMFX-LBPRGKRZSA-N 290.172 -0.143 50 20 CBGD CC(C)CNC(=O)CNCc1ccc(B(O)O)cc1F 585021352 JCKCSWXAYAZJFP-UHFFFAOYSA-N 282.124 -0.633 50 20 CBGD CC[C@@H](C)[C@@H](O)CNCc1ccccc1B(O)O 585023294 FYFDKTCLZFPRMW-MFKMUULPSA-N 251.135 -0.137 50 20 CBGD CC(=O)N1CCC[C@H](CNCc2ccccc2B(O)O)C1 585038582 CGHGLCKGLZZPNU-CYBMUJFWSA-N 290.172 -0.286 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCn3ccnc32)c(F)c1 585043901 VKPXZTURXYFFRK-GFCCVEGCSA-N 275.092 -0.063 50 20 CBGD OC[C@@H](NCc1ccc(B(O)O)cc1)[C@@H]1CCCOC1 585045473 BHXPTAPMZCZKMO-TZMCWYRMSA-N 279.145 -0.757 50 20 CBGD N#Cc1cccc(CS(=O)(=O)N2CC[C@@H](B(O)O)C2)c1 585057588 HJBSZPREKVWQFN-GFCCVEGCSA-N 294.141 -0.063 50 20 CBGD O=S(=O)(C[C@H]1CCCCO1)N1CC[C@H](B(O)O)C1 585057695 JHNPXGQUMYGXDF-VHSXEESVSA-N 277.151 -0.566 50 20 CBGD C[C@H]1CCCCN1S(=O)(=O)N1CC[C@@H](B(O)O)C1 585058357 YOUHYLOXYIUSIL-VHSXEESVSA-N 276.167 -0.346 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)COc2ccccc2O)C1 730835684 KLMVDOURNYOEJN-SNVBAGLBSA-N 293.323 -0.130 50 20 CBGD C[C@H](CCN(C)C)NC(=O)NNC(=O)c1cnn(C)c1 735580612 TYWJHGNGHBGYIF-SECBINFHSA-N 282.348 -0.296 50 20 CBGD CCn1nc(C)c(S(=O)(=O)NNC(=O)N(C)C)c1C 741652789 HJNRLDCIYOGTTN-UHFFFAOYSA-N 289.361 -0.016 50 20 CBGD CC(C)NC(=O)NNC(=O)c1ccccc1OCC(N)=O 745139662 MUSLFNXTDCLMQZ-UHFFFAOYSA-N 294.311 -0.097 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=O)NC1CCCC1 754985240 BDIPOCMLFGPMKT-LLVKDONJSA-N 259.306 -0.343 50 20 CBGD CCC1(C(=O)NNC(=O)C(=O)N2CCCC2)COC1 755267674 JRVJDKREKZRNSX-UHFFFAOYSA-N 269.301 -0.817 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)c1ccnnc1 756791524 ZFFUOUSRUKJBLP-UHFFFAOYSA-N 257.253 -0.125 50 20 CBGD Cc1cc(OCC(=O)NNc2ccc(C(N)=O)nn2)no1 757406527 CHQBIVPNUKQKSJ-UHFFFAOYSA-N 292.255 -0.606 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@@]12CCOC2)C(=O)N1CCCC1 763758298 QWZVNOHNKPQMKU-TVQRCGJNSA-N 281.312 -0.817 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2nnn(C)c2C)n[nH]1 768279030 XVNBDMPFBJOCQQ-UHFFFAOYSA-N 263.261 -0.770 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cn(C)nc1C 772133669 UKZQOJDNVIMLTC-MRVPVSSYSA-N 282.300 -0.169 50 20 CBGD CCc1[nH]c(C(=O)NNC(=O)CO)c(C)c1C(=O)OC 777781475 TYCJJYOIYLCLEK-UHFFFAOYSA-N 283.284 -0.575 50 20 CBGD O=C(CO)NNC(=O)c1ccc(-n2ccnc2)nc1 777781937 IUYHUYGACXWXQM-UHFFFAOYSA-N 261.241 -0.979 50 20 CBGD C[C@@H](C[S@@](C)=O)NC(=O)NNc1cccnn1 784535123 GCQNDLBYAHCHLU-BWKAKNAASA-N 257.319 -0.130 50 20 CBGD O=C(CN1CCOCC1)NNC(=O)NCC(F)(F)F 798314330 HDSGSHRJXWTXHP-UHFFFAOYSA-N 284.238 -0.789 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1C#N 799409915 AHRPOCSWBATMKI-UHFFFAOYSA-N 286.291 -0.094 50 20 CBGD COC(=O)CNC(=O)NN=Cc1c[nH]c(C(=O)O)c1 814900716 FEPUTZXXNSVDKV-UHFFFAOYSA-N 268.229 -0.481 50 20 CBGD C[C@@]1(C(=O)NNc2ncncc2F)CCNC1=O 823123924 BDXINRIILIULRA-SNVBAGLBSA-N 253.237 -0.415 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCC(C)(C)O 826537043 GZVJFUXHTYMVQI-BDAKNGLRSA-N 273.333 -0.097 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CCOC1 826999261 UBRCZACSELDCSA-DJLDLDEBSA-N 257.290 -0.469 50 20 CBGD CCC[C@H]1C(=O)NCCN1CC(=O)NNC(=O)C(C)C 828569081 KSZUNQIFUAMMDW-JTQLQIEISA-N 284.360 -0.610 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNC(=O)[C@@H]1CCCCO1 833241683 DMZFKASGRMATKY-QWRGUYRKSA-N 285.344 -0.576 50 20 CBGD CCO/C=C(/C#N)C(=O)NCCCN(C)S(C)(=O)=O 855167261 CDZSNXJJOZJWHT-KTKRTIGZSA-N 289.357 -0.172 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2CCOC(=O)N2)n1 858403552 GBSSLCNDIWRIPB-LURJTMIESA-N 267.245 -0.573 50 20 CBGD CNc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1 861499836 VXOQWPMGXRRGPF-UHFFFAOYSA-N 293.327 -0.624 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CC23CCCC3)N1 862454757 AELIHAVQBMKKMU-RKDXNWHRSA-N 265.313 -0.007 50 20 CBGD CN(C)[C@@H](C(=O)NNC(=O)c1cn[nH]c1)c1cncn1C 862470752 VRFSJJIOQLZEKX-SNVBAGLBSA-N 291.315 -0.793 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1cc2n(n1)CCC2 863183662 KFBILJDJTUOJDR-UHFFFAOYSA-N 284.341 -0.286 50 20 CBGD CS(=O)(=O)CC(=O)NN=C1CNC(=O)c2ccccc21 863184124 UJBZOXMYFZMWAO-UHFFFAOYSA-N 295.320 -0.705 50 20 CBGD COc1ccnc(NNC(=O)/C=C\CN2CCOCC2)n1 864823052 IVNZSYHTJRVENR-IHWYPQMZSA-N 293.327 -0.183 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnc2cc[nH]c2c1 878681260 KVZJJXBBVVPURF-UHFFFAOYSA-N 261.285 -0.115 50 20 CBGD O=C(NC[C@H]1C=CCC1)NNC(=O)C(=O)N1CCCC1 883834523 JKVGIGGWCDIMOJ-JTQLQIEISA-N 280.328 -0.095 50 20 CBGD CN1CCCC[C@@H](C(=O)N2CC[C@@H](B(O)O)C2)C1=O 902552469 MPDKLTBSVMISFX-NXEZZACHSA-N 268.122 -0.680 50 20 CBGD CN(C)c1cccc(C(=O)NNC(=O)Cn2cncn2)c1 904222196 LAJOECRJRBELHY-UHFFFAOYSA-N 288.311 -0.195 50 20 CBGD Cc1nc(SCC(=O)NN(C)C[C@@H](C)O)n[nH]1 910163016 JSGJZGFBUFLOAQ-ZCFIWIBFSA-N 259.335 -0.451 50 20 CBGD CCN(CCO)NC(=O)c1cccc(C#CCO)c1 911441469 YSSSESKWIDYEGJ-UHFFFAOYSA-N 262.309 -0.011 50 20 CBGD CC(C)(C)C(=O)C(=O)NNC(=O)CN1CCCC1=O 913730690 FIBGREUUFMEBQD-UHFFFAOYSA-N 269.301 -0.629 50 20 CBGD C=CCCO[C@H](C)C(=O)NNC(=O)CN1CCCC1=O 913730707 FVQHEEHYWQJWAW-SNVBAGLBSA-N 283.328 -0.263 50 20 CBGD C[C@H](C(=O)NNC(=O)c1ccncc1)n1cncn1 913962195 JCPRNWZSYGYLBF-MRVPVSSYSA-N 260.257 -0.305 50 20 CBGD CCO[C@H](CCNC(=O)NNC(=O)C(=O)OC)C(C)C 1116188101 YVNZJCCPELKDSW-SECBINFHSA-N 289.332 -0.059 50 20 CBGD O=C(NN=CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1116378317 IDGMHMGJWPTDTI-JTQLQIEISA-N 274.342 -0.050 50 20 CBGD C[C@@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)n1cccc1 1116413642 DLUROHQVHPDLQV-VHSXEESVSA-N 299.352 -0.369 50 20 CBGD CCn1nc(C)c(NC(=O)C(=O)NNC(=O)COC)c1C 1116621161 TUJQMLCITZAUGY-UHFFFAOYSA-N 297.315 -0.748 50 20 CBGD Cn1cnnc1COCC(=O)NNC(=O)c1ccncc1 1117739754 NDSVOUQNPSFSJN-UHFFFAOYSA-N 290.283 -0.812 50 20 CBGD C[C@H](NNC(=O)[C@@H]1CC[C@H](C(N)=O)O1)C(F)(F)F 1118943931 OKCJLRVDMCISTM-JKUQZMGJSA-N 269.223 -0.409 50 20 CBGD Cc1nnc(NNC(=O)[C@H](C)Cc2cnc[nH]2)nc1O 1118968120 PFUMQZNTDPNVCN-ZCFIWIBFSA-N 277.288 -0.069 50 20 CBGD CCCn1cc(C(=O)NNC(=O)C(=O)NC(C)C)cn1 1320092569 JNEPVNPIFBYXOY-UHFFFAOYSA-N 281.316 -0.421 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccnn1C(C)(C)C 1320248977 WKILGQJVLYEVTP-UHFFFAOYSA-N 283.288 -0.036 50 20 CBGD CN(NC(=O)CCCN1C(=O)CNC1=O)C1CC1 1325904118 QJWPZYLOEXZRSE-UHFFFAOYSA-N 254.290 -0.556 50 20 CBGD Cc1cnc2nc(C(=O)NNC(=O)NC3CC3)nn2c1 1328728181 IQCANIYQTYOMQL-UHFFFAOYSA-N 275.272 -0.461 50 20 CBGD COCC#CC(=O)NNc1nc(C)cc(OC)n1 1330598541 WRKIKAFTIKMYLM-UHFFFAOYSA-N 250.258 -0.113 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccn(C)c1 1339889990 AZKBYSJIQCQUEO-UHFFFAOYSA-N 254.246 -0.972 50 20 CBGD O=C(CCO)NNC(=O)C(=O)Nc1cccc2c1CCO2 1344452238 UWVUOKQTWCLDRH-UHFFFAOYSA-N 293.279 -0.910 50 20 CBGD O=C(COCc1ccccn1)NNC(=O)[C@H]1CCC(=O)N1 1350103811 QBOCNMNAGQKSFM-SNVBAGLBSA-N 292.295 -0.976 50 20 CBGD O=C(O)CC[C@@H]1C[C@@H](C(=O)NNc2nc[nH]n2)CO1 1574686272 JVYRBERLKBJFFO-RNFRBKRXSA-N 269.261 -0.482 50 20 CBGD CC(C)(C)C(=O)NNC(=O)[C@@]12CNC[C@@H]1CCOC2 1575106730 UVDVXQONULOJLK-TVQRCGJNSA-N 269.345 -0.194 50 20 CBGD CO[C@]12CCC[C@@]1(C(=O)NNC(=O)CCCN)CCO2 1579132390 CRLBARJWISHKTG-STQMWFEESA-N 285.344 -0.194 50 20 CBGD NCC[C@@H](NC(=O)NNC(=O)c1cc[nH]n1)C(F)F 1580283468 PYZWAWQTPXQGGS-RXMQYKEDSA-N 276.247 -0.664 50 20 CBGD CCN(CCO)NC(=O)c1ccc(-c2nn[nH]n2)c(O)c1 1590714310 BSFRYAICPFIEOK-UHFFFAOYSA-N 292.299 -0.469 50 20 CBGD CCc1oc(C(=O)O)cc1S(=O)(=O)NNC(=O)NC 1597785699 ODQHEPBJPGGOGL-UHFFFAOYSA-N 291.285 -0.338 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cn1ccc(C(=O)O)n1 1604836444 WTHVFNYTYDYYPB-JGVFFNPUSA-N 296.283 -0.846 50 20 CBGD CN(C)c1ccc(C(=O)O)cc1C=NNC(=O)C(N)=O 1776015862 MOSPITWHOPCOOH-UHFFFAOYSA-N 278.268 -0.614 50 20 CBGD COCC(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841349813 PWPAJZCBDCKDAW-SECBINFHSA-N 290.747 -0.564 50 20 CBGD CCOC(=O)NNC(=O)CCC(=O)N1CCOCC1 48089991 GNKIUWXIHLFHBD-UHFFFAOYSA-N 273.289 -0.597 50 20 CBGD CNC(=O)NNC(=O)c1ccc(S(=O)(=O)NC)cc1 56375349 KPRWRXMHXVWDDN-UHFFFAOYSA-N 286.313 -0.832 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)c1cnsn1 103423502 IQXVFMBXXVYIHO-UHFFFAOYSA-N 263.282 -0.063 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCNC(=O)C1(C)C 109837074 GCUNLIPMOWYXHC-JTQLQIEISA-N 298.387 -0.221 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1nc2ccccn2n1 121424005 QLVZNDRYBPJXGK-UHFFFAOYSA-N 277.288 -0.556 50 20 CBGD Cc1c(CCC(=O)NNC(=O)N2CCOCC2)cnn1C 179199904 LJFBWCVBQYVTBL-UHFFFAOYSA-N 295.343 -0.266 50 20 CBGD O=C(CO)NNC(=O)c1ccc(C(F)(F)F)nc1 180962100 RQDMLYWPQJTCKD-UHFFFAOYSA-N 263.175 -0.146 50 20 CBGD C[C@H]1CCCN(C(=O)C(=O)NNC(=O)NC2CC2)C1 277785721 VSDRJERWSYZGAW-QMMMGPOBSA-N 268.317 -0.262 50 20 CBGD COC[C@H](CO)NC(=O)NNC(=O)c1ccccc1OC 279772005 BKKZOCHGGUKRRK-VIFPVBQESA-N 297.311 -0.354 50 20 CBGD CCN1CCO[C@H](C(=O)NNc2cccnn2)C1 363752948 MTZDDHFRYJYQEC-VIFPVBQESA-N 251.290 -0.360 50 20 CBGD C[C@H](C(=O)Nc1cccc(B(O)O)c1)[C@H]1CCC(=O)N1 584911783 MYYHTVAHIJBFHR-GZMMTYOYSA-N 276.101 -0.780 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@H](CO)C1 584930746 CMLQRZRGGGVZCA-JTQLQIEISA-N 263.102 -0.789 50 20 CBGD CN1CC[C@@H](CNC(=O)c2ccc(B(O)O)c(F)c2)C1 584934733 XHINIXJBZIZHQX-VIFPVBQESA-N 280.108 -0.813 50 20 CBGD CC[C@@H](CCO)CNC(=O)c1cc(B(O)O)ccc1F 584958239 NGTOVSOQHSHTTH-VIFPVBQESA-N 283.108 -0.356 50 20 CBGD O=C(N[C@@H]1CCO[C@@H]1C1CC1)c1ccc(B(O)O)c(F)c1 584968366 WLWWEIIUBCNESH-CHWSQXEVSA-N 293.103 -0.197 50 20 CBGD CC1(C)[C@H](O)C[C@H]1NC(=O)c1cccc(B(O)O)c1 584973000 BQFDJUDYYLDORJ-GHMZBOCLSA-N 263.102 -0.744 50 20 CBGD COC[C@H](C)[C@@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584992867 SARKKOFTAYGUDF-DTWKUNHWSA-N 283.108 -0.094 50 20 CBGD CC1(C)OCC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584994631 BZVJOGPJKWGBAD-LLVKDONJSA-N 281.092 -0.197 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CC2(CCOC2)C1 584994685 MTEBDELXCBWOET-UHFFFAOYSA-N 279.076 -0.632 50 20 CBGD C[C@H]1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)O1 584997328 APLOCKVCNNLHHJ-JOYOIKCWSA-N 263.102 -0.336 50 20 CBGD C[C@@H](CCO)N(C)C(=O)c1cc(B(O)O)ccc1F 585004933 RWTWMVSFLBDGGD-QMMMGPOBSA-N 269.081 -0.652 50 20 CBGD OB(O)c1ccc(CN[C@@H]2C[C@H]3OCCC[C@H]23)o1 585036147 AQBXFIMTWLOFIE-GMTAPVOTSA-N 251.091 -0.384 50 20 CBGD CCn1nccc1CNCc1cccc(B(O)O)c1 585049596 HZTJZGUWFYQXKG-UHFFFAOYSA-N 259.118 -0.127 50 20 CBGD O=C(COc1ccc([N+](=O)[O-])cc1)NCB(O)O 585058629 LDEHLQGMGFZFBQ-UHFFFAOYSA-N 254.007 -0.898 50 20 CBGD Nc1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cc1 585058826 QZTCBUKQKLJGIX-QMMMGPOBSA-N 270.119 -0.494 50 20 CBGD O=C(NCB(O)O)c1cnn(-c2ccccc2)c1F 585062218 DJWGAGCEKMASER-UHFFFAOYSA-N 263.037 -0.247 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)CCn1cc[nH]c(=O)c1=O 728203692 LEQQRKHXIKMRLC-UHFFFAOYSA-N 298.299 -0.517 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)Cc1cccnc1 730285356 NQKGVXHHVZFAJB-ZDUSSCGKSA-N 286.335 -0.131 50 20 CBGD COc1ncc(C(=O)NNC(=O)c2cnn(C)c2)cn1 735445138 JKKRCWVDFRQDIX-UHFFFAOYSA-N 276.256 -0.707 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCN(C)[C@H](C)C1 741464760 TXERNGDQSTWDCE-BDAKNGLRSA-N 290.389 -0.490 50 20 CBGD Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=O)c1ncccn1 746107172 NGGDOMHKVDGLAJ-UHFFFAOYSA-N 290.239 -0.202 50 20 CBGD CN1CCC(=NNC(=O)CNC(=O)c2cccs2)C1=O 761804133 OZRDYTMVHOFHFY-UHFFFAOYSA-N 294.336 -0.188 50 20 CBGD CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)C(C)C 765785627 ZGMHGWGFVSNFHJ-BDAKNGLRSA-N 270.333 -0.113 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H]1CCOC1 769766676 ZVUOHIJLOUYGJL-SSDOTTSWSA-N 263.388 -0.119 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnc(OC)nc1 772134155 DHOWSHGRUGHURE-SSDOTTSWSA-N 296.283 -0.412 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NNC(=O)[C@@H]1CCCCO1 772222270 LLGOSZYWZVNPCP-NEPJUHHUSA-N 299.371 -0.329 50 20 CBGD CN(NC(=O)CN1C(=O)CCOc2ccccc21)C(N)=O 778412058 NDZYFWJYEDPJRS-UHFFFAOYSA-N 292.295 -0.156 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)[C@H]1CCCOC1 779774229 SHFYKUQWMBFDHX-ZJUUUORDSA-N 291.373 -0.157 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)N1CCOC(C)(C)C1 782477433 QPXSTZDFSNBWDN-UHFFFAOYSA-N 294.377 -0.492 50 20 CBGD C[C@@H]1C[C@@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)CO1 784028696 ZMIGUVIXPUTEPV-GMTAPVOTSA-N 290.385 -0.096 50 20 CBGD CC(C)NC(=O)C(=O)NN=Cc1ccccc1C(N)=O 788708708 LNGHTWNQGYPNLB-UHFFFAOYSA-N 276.296 -0.240 50 20 CBGD COc1ccc(C(=O)NNC(=O)CN2CCCC2=O)cn1 789857905 LFADGAKFNNOFLJ-UHFFFAOYSA-N 292.295 -0.526 50 20 CBGD O=C(CN1CCOC[C@@H]1[C@@H]1CCCO1)NNC(=O)C1CC1 796346670 RNNRBBUBLGTLDG-NEPJUHHUSA-N 297.355 -0.576 50 20 CBGD CCn1cc(CC(=O)NNC(=O)N2CCN(C)CC2)cn1 807381240 KGJMLULEBIVCRG-UHFFFAOYSA-N 294.359 -0.566 50 20 CBGD CCC(=O)NNS(=O)(=O)CCOCC(F)(F)F 811677276 UYXHROJNMXBLHS-UHFFFAOYSA-N 278.252 -0.074 50 20 CBGD CC(C)NC(=O)CCCC(=O)NNc1nc[nH]n1 816632794 ZCTUUHIBZJNOSC-UHFFFAOYSA-N 254.294 -0.057 50 20 CBGD C[C@@]1(C(=O)NNC(=O)NCC(F)(F)F)CCNC1=O 822671909 RFPALZVZNSFMDC-MRVPVSSYSA-N 282.222 -0.595 50 20 CBGD Cc1occc(=O)c1OCC(=O)NN(C)[C@@H](C)CO 823384565 ORPUVVHACIPXDC-QMMMGPOBSA-N 270.285 -0.329 50 20 CBGD CCN(CCO)NC(=O)/C(C#N)=C/c1cnn(C)c1 823889407 VOPBHBPJNWHBPA-IZZDOVSWSA-N 263.301 -0.328 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCCc3nn[nH]c32)cn1 828087254 HBRWSYOGPJGQED-MRVPVSSYSA-N 289.299 -0.581 50 20 CBGD O=C(O)NCC(=O)NNc1ncnc2[nH]cnc12 832397278 PJKVLKICTDUQLH-UHFFFAOYSA-N 251.206 -0.936 50 20 CBGD Cc1nonc1CC(=O)NNC(=O)[C@@H]1CCCCO1 846233106 YGLVAWWJJNJDSS-VIFPVBQESA-N 268.273 -0.363 50 20 CBGD COC[C@]1(CO)CCN(S(=O)(=O)CCl)C1 849397255 LUKKEPXOJFJIDQ-MRVPVSSYSA-N 257.739 -0.157 50 20 CBGD CCc1ccc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)nc1 862462339 WMROYQDQEGDYGV-LLVKDONJSA-N 290.323 -0.388 50 20 CBGD CCCn1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 862462392 WRADYYGKTAWDIV-SECBINFHSA-N 279.300 -0.667 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)N1 862463312 ANQKDSCWWMCTRR-OIMNJJJWSA-N 299.330 -0.002 50 20 CBGD CC1(C(=O)NNC(=O)CS(C)(=O)=O)CCCC1 863460540 BJRIWWICRYQNKW-UHFFFAOYSA-N 262.331 -0.241 50 20 CBGD COCCN(C)NC(=O)c1cc(C(=O)OC)nn1C 868242397 MHHXDNBSKNZQLZ-UHFFFAOYSA-N 270.289 -0.570 50 20 CBGD CC[C@@H]1CC[C@@H](C(=O)NNC(=O)COCCOC)O1 869909876 LBUHYJDXQRFDHG-ZJUUUORDSA-N 274.317 -0.246 50 20 CBGD COC(=O)N(C)NC(=O)NCCCC(=O)N(C)C 875147363 MSWHAVDWMXCCOP-UHFFFAOYSA-N 260.294 -0.233 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)Nc2ccccc2)C1=O 908050422 XIVNNVPCPALTMG-JTQLQIEISA-N 292.295 -0.304 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 911503424 UBZKEIOXIXSOTH-MZFCOBPBSA-N 266.297 -0.216 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CN2CCCC2=O)n1C 920433534 HNYPEMTZAZKADF-UHFFFAOYSA-N 278.312 -0.283 50 20 CBGD C=CCNC(=S)NNC(=O)CS(=O)(=O)CCCC 929242773 NPOMZDSLJIZOAF-UHFFFAOYSA-N 293.414 -0.117 50 20 CBGD CCN(CCNC(=O)NNC(=O)C(=O)OC)C(C)C 1116186552 DRSGWQVWJBKHBX-UHFFFAOYSA-N 274.321 -0.780 50 20 CBGD CN1CC[C@H](NC(=O)NNc2nncc(N)c2Cl)C1=O 1116630931 WAQSUSHPOAKKOD-LURJTMIESA-N 299.722 -0.431 50 20 CBGD Cn1ccc(NNC(=O)CCN2C(=O)CCNC2=S)n1 1118826981 HIMNLNJIELZHKB-UHFFFAOYSA-N 296.356 -0.640 50 20 CBGD Nc1cnnc(NNC(=O)CO[C@@H]2CCOC2)c1Cl 1253124672 XBNCZZPIXVICIL-ZCFIWIBFSA-N 287.707 -0.039 50 20 CBGD Cn1cc(C(=O)NNC(=O)OCC(F)(F)F)n(C)c1=O 1262185004 YXLIJYFFUJOXNR-UHFFFAOYSA-N 296.205 -0.343 50 20 CBGD C=C[C@H](COC)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 1320439353 LNSVPJCJNNKIGA-KOLCDFICSA-N 291.373 -0.432 50 20 CBGD NC(=O)c1ccc(NNC(=O)C[C@@H]2CCCOC2)nn1 1321548256 FCQUPJOOVXQLFG-QMMMGPOBSA-N 279.300 -0.165 50 20 CBGD C#Cc1ccc(C(=O)NNc2nccn(C)c2=O)cn1 1322288162 OUTDUUDDYLCQAC-UHFFFAOYSA-N 269.264 -0.087 50 20 CBGD NC(=O)c1ccc(NNC(=O)CN2CCSC2=O)nn1 1323771338 SGKPVWULGBVWAV-UHFFFAOYSA-N 296.312 -0.813 50 20 CBGD CO[C@H](C)CNC(=O)NNC(=O)c1cnn(C)c1 1327632541 MKSJTVOYESODQD-SSDOTTSWSA-N 255.278 -0.601 50 20 CBGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)CC1CC1 1327914249 SZYNIFJYOSGIOD-QMMMGPOBSA-N 254.290 -0.523 50 20 CBGD Cc1cc(OCC(=O)N2CC[C@H](B(O)O)C2)no1 1329291159 AXJPEUKOLWUJNH-QMMMGPOBSA-N 254.051 -0.563 50 20 CBGD CCn1nccc1CNC(=O)NNC(=O)C(=O)NC1CC1 1330238841 VINYDCSCBMQNNE-UHFFFAOYSA-N 294.315 -0.988 50 20 CBGD C[C@H](CO)N(C)NC(=O)C(C)(C)S(C)(=O)=O 1330879615 NTUCGJRTSJROCQ-SSDOTTSWSA-N 252.336 -0.847 50 20 CBGD C[C@@H]1CC(=NNC(=O)[C@@H]2CCC(=O)N2)c2ncnn21 1331723905 ZWOLVZLLEVVGGJ-RQJHMYQMSA-N 262.273 -0.658 50 20 CBGD O=C(NNC(=O)C1CCOCC1)c1ccncn1 1336933566 DWLFLPXBVFQWQC-UHFFFAOYSA-N 250.258 -0.336 50 20 CBGD COCCCCC(=O)NNC(=O)C(=O)N1CCCC1 1338088202 IJPSCMZDTUEIPQ-UHFFFAOYSA-N 271.317 -0.427 50 20 CBGD C[C@H](NNC(=O)[C@H](N)CCC(N)=O)C(F)(F)F 1573579815 WEUOWZKAZIQIJZ-CRCLSJGQSA-N 256.228 -0.849 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1NCCc2cc(C#N)ccc21 1578557142 DXBGOWCGVHOCRB-LLVKDONJSA-N 273.296 -0.295 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1Cc2ccc(O)cc2N1 1578557484 IJMJGZRJFVXPNK-VIFPVBQESA-N 250.258 -0.311 50 20 CBGD Cc1cc(=O)c(C(=O)NNC(=O)[C@H]2CCN2)cn1C1CC1 1579547604 KIUKVMNKNRZCKY-LLVKDONJSA-N 290.323 -0.385 50 20 CBGD CNC(=O)NNC(=O)CCCn1ccc(C(=O)O)n1 1598650217 BKLNRYJNVPQGQF-UHFFFAOYSA-N 269.261 -0.678 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C1(C(=O)O)CC1 1600675333 UDUDJJKIMKEGQF-UHFFFAOYSA-N 252.230 -0.656 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@@](F)(C(=O)O)C1 1602624783 JUCSTFLUTFQHGZ-LBPRGKRZSA-N 299.038 -0.856 50 20 CBGD CC(C)CC(=O)NNC(=O)Cn1cc(C(=O)O)cn1 1603762008 UKNUHYLAHYBTLU-UHFFFAOYSA-N 268.273 -0.225 50 20 CBGD O=C(O)Cc1cccc(C(=O)NNC(=O)CO)c1 1610794444 ZHFYCGLOMXGFCU-UHFFFAOYSA-N 252.226 -0.933 50 20 CBGD Cn1cc(C(=O)NNC(=O)CN2CCCCCC2=O)cn1 23792905 CVRKJFLRVHBYPX-UHFFFAOYSA-N 293.327 -0.416 50 20 CBGD COCCOCC(=O)NNc1ccc(C(=O)OC)cn1 270387601 QHOFNEOOAUBIQG-UHFFFAOYSA-N 283.284 -0.026 50 20 CBGD CCOC(=O)NNC(=O)CS(=O)(=O)CC(C)C 490670314 OJOQEAUBJHFYSW-UHFFFAOYSA-N 266.319 -0.166 50 20 CBGD CN(C)[C@@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 584939900 MQSAUNNXSOVBDZ-LLVKDONJSA-N 294.135 -0.328 50 20 CBGD C[C@H](CNC(=O)c1ccc(B(O)O)c(F)c1)C[C@@H](C)O 584952781 YSCZGFDULBQJCK-DTWKUNHWSA-N 283.108 -0.358 50 20 CBGD CCN(CC(C)(C)O)C(=O)c1ccc(B(O)O)c(F)c1 584957173 LCTQHQOYKWYSOO-UHFFFAOYSA-N 283.108 -0.262 50 20 CBGD C[C@H](CCn1cncn1)NC(=O)c1cccc(B(O)O)c1 584960210 JZQGCWZEIVRLKE-SNVBAGLBSA-N 288.116 -0.834 50 20 CBGD COC[C@@H](NC(=O)c1ccc(B(O)O)cc1)C1CC1 584964905 NKBCUKPJEZLLAG-GFCCVEGCSA-N 263.102 -0.479 50 20 CBGD CN(CCN1CCCCC1)C(=O)c1ccc(B(O)O)cc1 585005056 WAKTUSUHQPXOQS-UHFFFAOYSA-N 290.172 -0.076 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H](O)C[C@@H](F)C1 585006759 HONWBMRCGZKPPD-BDAKNGLRSA-N 285.055 -0.950 50 20 CBGD CN(CC1=CCCOC1)C(=O)c1ccc(B(O)O)c(F)c1 585007863 PQRAIFBTCSTXQF-UHFFFAOYSA-N 293.103 -0.076 50 20 CBGD O=C(CNCc1cccc(B(O)O)c1)NCC(F)(F)F 585020577 BLRVRRSAMGLDBU-UHFFFAOYSA-N 290.050 -0.866 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)cc1F)c1nncn1C 585022718 XKRXEFVTLUDXFE-MRVPVSSYSA-N 278.096 -0.515 50 20 CBGD OB(O)c1ccc(CNCCCc2cnccn2)o1 585030308 RMCPKPGSKKQYBK-UHFFFAOYSA-N 261.090 -0.528 50 20 CBGD O=C(CCNCc1ccccc1B(O)O)N1CCCCC1 585034480 LSLYXORZPNCFFX-UHFFFAOYSA-N 290.172 -0.141 50 20 CBGD C[C@H](CNCc1ccccc1B(O)O)[S@](C)=O 585035604 VYUZSMBITPKFKF-XLFHBGCDSA-N 255.148 -0.777 50 20 CBGD CC(C)NC(=O)[C@@H](C)NCc1ccc(B(O)O)cc1 585046296 PIOQFWGVHUHHHK-SNVBAGLBSA-N 264.134 -0.631 50 20 CBGD C[C@]1(CNCc2ccc(B(O)O)cc2)CCC(=O)NC1 585048607 TZGKHDQLJPGZAC-CQSZACIVSA-N 276.145 -0.628 50 20 CBGD COc1ccc(N2C[C@@H](C(=O)NCB(O)O)CC2=O)cc1 585060840 KQBOFAWKMLHXLB-VIFPVBQESA-N 292.100 -0.824 50 20 CBGD O=C(NCB(O)O)c1n[nH]c(C2CC2)c1Br 585062164 RBDKAVUBJWWCEU-UHFFFAOYSA-N 287.910 -0.209 50 20 CBGD CN(C)c1nccc(NNC(=O)CCCCNC(N)=O)n1 740107731 MLGRFRLUFPHNBF-UHFFFAOYSA-N 295.347 -0.176 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CSCC(=O)O 740209277 RGTANXKDYQTKFE-UHFFFAOYSA-N 272.286 -0.703 50 20 CBGD Cc1nonc1C(=O)NNC(=O)N1CCOCC1 746179681 XVSGSZXJOZJRBM-UHFFFAOYSA-N 255.234 -0.935 50 20 CBGD CC(=O)N[C@H](CC(=O)NNC(=O)CO)c1cccs1 753445512 LAPONXLJOJVDRO-MRVPVSSYSA-N 285.325 -0.545 50 20 CBGD Cc1cccc(C(=O)NNC(=O)Cn2cc(CO)nn2)c1 762188352 TVLYYUGDFHJADH-UHFFFAOYSA-N 289.295 -0.460 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2ccnc(O)c2)n[nH]1 769280028 DDGYEXIRPOSWPT-UHFFFAOYSA-N 261.241 -0.106 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@H](CCO)C(C)C 771786237 RCRZGLSVOMYDQV-NXEZZACHSA-N 259.350 -0.071 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c(C)noc1N 771913958 OKMWCJWTNUZCGY-ZCFIWIBFSA-N 284.272 -0.332 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CNC(=O)C1CC1 771991823 IRKYZGTXHBMXDG-ZETCQYMHSA-N 285.300 -0.998 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CN(C)C(=O)C1CC1 772109177 JGWJVHOXPUPJCU-MRVPVSSYSA-N 299.327 -0.656 50 20 CBGD Cc1nccc(NC(=O)NNC(=O)Cc2cc[nH]n2)n1 776495939 MIZXHSYGLSPNNW-UHFFFAOYSA-N 275.272 -0.096 50 20 CBGD CN(NC(=O)C[C@H](NC(N)=O)c1ccccc1)C(N)=O 778417955 ZXTCCJHHFKQAJS-VIFPVBQESA-N 279.300 -0.172 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCCN1C1CC1 786731257 GVPNAZUAJUDLRT-SNVBAGLBSA-N 282.344 -0.715 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H](COC)[C@@H]1CCCO1 789335156 PMALLCZHTAWOPO-UWVGGRQHSA-N 289.332 -0.453 50 20 CBGD CCN(CC(=O)NNC(=O)C(C)(C)C)[C@H](C)CO 794713605 WPTAQDRUAITUSY-SECBINFHSA-N 259.350 -0.117 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1ccc(C)nc1 795303101 SVTXFHYCQKDANM-UHFFFAOYSA-N 258.303 -0.098 50 20 CBGD CC[C@@](C)(C#N)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 806788888 XODOOWRRVGUVHR-XVKPBYJWSA-N 290.345 -0.989 50 20 CBGD O=C(NN=C1CCN(CCO)CC1)c1cnccn1 819803548 RGJOWGUHTBTHEQ-UHFFFAOYSA-N 263.301 -0.350 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cc(OC(F)F)n(C)n1 823935876 XQNZKURULLQMDJ-ZCFIWIBFSA-N 278.259 -0.021 50 20 CBGD CCN1C[C@H](NC(=O)NNC(=O)CC(F)(F)F)CC1=O 838678096 YFLSSMODXPEASA-ZCFIWIBFSA-N 296.249 -0.110 50 20 CBGD COc1ccnc(C=NNC(=O)C(=O)N2CCCC2)n1 842526042 HJEMCXCEKGOJLY-UHFFFAOYSA-N 277.284 -0.442 50 20 CBGD C[C@@H]([C@H](C)C(=O)NNC(=O)c1cc[nH]n1)S(C)(=O)=O 855355913 CHZPSXBPTUJMGI-BQBZGAKWSA-N 288.329 -0.760 50 20 CBGD O=C(NNc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)N1 856094837 XFQKJWBJBVBAGZ-ZETCQYMHSA-N 290.732 -0.130 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCC3(CCC3)C2)N1 858697832 VVIAMUPQLDRWTN-VIFPVBQESA-N 280.328 -0.118 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)NC[C@H]2COCO2)cn1 861979163 ANOVJEGVQMNDOL-HKTIAHBFSA-N 262.269 -0.184 50 20 CBGD O=C(Cc1ccc(O)c(F)c1)NNC(=O)[C@H]1CCC(=O)N1 862462697 YRRZMRLCSVKIEE-SECBINFHSA-N 295.270 -0.500 50 20 CBGD C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)[C@@H]1C 862463409 CLKFJUOJXPQTLS-RKYHVTRTSA-N 283.328 -0.528 50 20 CBGD CCNC(=O)CCCC(=O)NNC(=O)c1cn[nH]c1 862471864 PWCWVZHTOZCJPX-UHFFFAOYSA-N 267.289 -0.523 50 20 CBGD CS(=O)(=O)CC(=O)NN=Cc1cc(C(F)(F)F)n[nH]1 863186993 TYIMQHAGGHNPQW-UHFFFAOYSA-N 298.246 -0.077 50 20 CBGD Cc1ccc([C@@H](C)C(=O)NNC(=O)CS(C)(=O)=O)o1 863462707 IVIJSDKLVWSZHD-MRVPVSSYSA-N 288.325 -0.116 50 20 CBGD CCOC(=O)CCCNC(=O)c1cccc(B(O)O)c1 863869776 UEQZYTYHPJGDBU-UHFFFAOYSA-N 279.101 -0.561 50 20 CBGD CN1C(=O)CN(CC(=O)NNc2nccnc2Cl)C1=O 863876924 MTBDVRYLPAYDBN-UHFFFAOYSA-N 298.690 -0.533 50 20 CBGD CC(C)(CO)CNC(=O)c1cc(B(O)O)ccc1F 866819421 DWAAOWAWDYPSFJ-UHFFFAOYSA-N 269.081 -0.746 50 20 CBGD COC(=O)NNC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F 878000955 NUHHPBZQPHHSGI-WHFBIAKZSA-N 283.206 -0.312 50 20 CBGD CCOC(=O)[C@@H](C(=O)NNC(=O)CN(C)C)C(C)C 878681249 KMJKRCGQFWTORL-SNVBAGLBSA-N 273.333 -0.469 50 20 CBGD COCC1(S(=O)(=O)NNC(=O)C2CCOCC2)CC1 882804465 IKWMSMNDVYLGJB-UHFFFAOYSA-N 292.357 -0.457 50 20 CBGD NNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 917371721 UEARMDZHOKWHMF-UHFFFAOYSA-N 277.733 -0.002 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 920858364 CYWHFMTUYLSXNJ-ZETCQYMHSA-N 254.290 -0.652 50 20 CBGD Nc1cnnc(NNC(=O)[C@@]2(F)CCNC2)c1Cl 1118267590 KRIGBERSUAVTLA-SECBINFHSA-N 274.687 -0.143 50 20 CBGD Cc1nnccc1C(=O)NNC(=O)N1CCOCC1 1319552950 YIESXKYFKNYLQT-UHFFFAOYSA-N 265.273 -0.528 50 20 CBGD COC(=O)CNC(=O)NN=C(C)c1ccnc(C)n1 1320745951 NCRVDUPCGMEWAF-UHFFFAOYSA-N 265.273 -0.019 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C(=O)N1CCCC1)[C@H]1CCOC1 1321151502 YBXIWKRJWAMKGD-ZJUUUORDSA-N 298.343 -0.636 50 20 CBGD CCCc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1331802536 FCVIWVZYXXYTAL-SECBINFHSA-N 279.300 -0.598 50 20 CBGD C[C@@]1(C(=O)NNC(=O)C(=O)Nc2ccccn2)CCOC1 1337765415 DZRMSQVLDVNKSM-CYBMUJFWSA-N 292.295 -0.406 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1c[nH]c(C#N)c1 1341925655 DJQPWRGREOKJFE-UHFFFAOYSA-N 263.257 -0.828 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cn(CC2(C)COC2)nn1 1350777949 GBZPVYYMLPUYAK-SECBINFHSA-N 283.332 -0.728 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H](N)CN(C)Cc1ccccc1 1576272033 JMRAVASTDSQPPT-JSGCOSHPSA-N 294.399 -0.211 50 20 CBGD COc1ccnc(NNC(=O)[C@@]2(C)C[C@@H](N)CCO2)n1 1579316899 BEMAMDSJLIFNNH-QPUJVOFHSA-N 281.316 -0.175 50 20 CBGD N[C@@H](Cc1cc2ccccc2o1)C(=O)NNC(=O)CO 1580134077 HKAHPOGPUMIUPJ-JTQLQIEISA-N 277.280 -0.558 50 20 CBGD O=C(NC[C@H]1CCCN1)NNC(=O)c1ncccn1 1580651790 IPDMSBNWEHAVSI-MRVPVSSYSA-N 264.289 -0.827 50 20 CBGD O=C(NNC(=O)[C@@H]1CCN1)c1cc(F)c(O)c(F)c1 1580733368 SWHRZVIPYZNQNI-QMMMGPOBSA-N 271.223 -0.207 50 20 CBGD C[C@@H](C(=O)O)C(=O)NNC(=O)Cc1ccccn1 1588573384 DOPVCNXGZRXFQF-SSDOTTSWSA-N 251.242 -0.508 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccc(C(=O)O)nc1 1592762483 RRYSKMNWTFMDPV-SSDOTTSWSA-N 253.258 -0.263 50 20 CBGD COc1cccc(CCNC(=O)NNC(=O)C(=O)O)c1 1599671676 GTOXEWRLTUUTQK-UHFFFAOYSA-N 281.268 -0.347 50 20 CBGD O=C(NCc1nnc(C2CC2)s1)NNC(=O)C(=O)O 1601551039 JFZLUSHWFOZGHR-UHFFFAOYSA-N 285.285 -0.670 50 20 CBGD O=CN1CCC[C@@H]1C(=O)NNc1ccc(C(=O)O)cn1 1602663663 WLBSDAKUSTWPQO-SECBINFHSA-N 278.268 -0.156 50 20 CBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1604095243 RTCMAGANBHTOPA-JQCXWYLXSA-N 270.285 -0.188 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)O 1610019347 OVHULWXTXRSOLO-UHFFFAOYSA-N 298.255 -0.263 50 20 CBGD CCOC(=O)/C(C#N)=C/Nn1cnc2c(cnn2C)c1=O 42667659 YIFXGWOIVYZYEK-VMPITWQZSA-N 288.267 -0.356 50 20 CBGD CCNC(=O)NNC(=O)Cc1c(C)nn(C)c1C 49165269 YRGFZMCYSNOLCC-UHFFFAOYSA-N 253.306 -0.070 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNC(=O)CCc1ccccc1 154176266 CUPXNNCTZNAAMG-VIFPVBQESA-N 278.312 -0.177 50 20 CBGD Cc1ccc(-n2cc(C(=O)NNC(=O)CO)nn2)cc1 180959671 VOLKWKKLFMWLHG-UHFFFAOYSA-N 275.268 -0.671 50 20 CBGD CN1C[C@@H](NC(=O)NNc2ncccn2)CC1=O 267504424 NURPQIVJPLFPRQ-ZETCQYMHSA-N 250.262 -0.667 50 20 CBGD CN(C)S(=O)(=O)CCC(=O)NNc1ccnc(F)c1 272875591 XISFCAJKDRLFOE-UHFFFAOYSA-N 290.320 -0.055 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C1(C(=O)OC)CC1 274629658 RECCKSRLXBTGRX-UHFFFAOYSA-N 299.327 -0.608 50 20 CBGD Cc1c(/C=C(\C#N)C(=O)NCC(N)=O)cc(C#N)n1C 490637850 JULZNDZYSBXMBY-XCVCLJGOSA-N 271.280 -0.286 50 20 CBGD CC(C)OCCN(C)C(=O)c1ccc(B(O)O)cc1 584960304 QBXMCHHEIKHDQV-UHFFFAOYSA-N 265.118 -0.137 50 20 CBGD CC[C@](C)(CO)CNC(=O)c1cc(B(O)O)ccc1F 584964210 DVHICYFHXYNHHK-ZDUSSCGKSA-N 283.108 -0.356 50 20 CBGD C[C@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)[C@@H]1CO 584979622 ZPWGSDRAAAAAEO-QPUJVOFHSA-N 281.092 -0.652 50 20 CBGD CC(C)[C@](C)(NC(=O)c1ccc(B(O)O)c(F)c1)C(N)=O 584989166 YPDFNYKLCXRCKQ-ZDUSSCGKSA-N 296.107 -0.865 50 20 CBGD CC1(C)C[C@]1(C#N)NC(=O)c1ccc(B(O)O)c(F)c1 584990696 HWANRNBORUCXIC-CYBMUJFWSA-N 276.076 -0.072 50 20 CBGD OB(O)c1ccc(CNCCCCn2ccnn2)c(F)c1 585033666 AIEPAIZWSXQIBD-UHFFFAOYSA-N 292.123 -0.333 50 20 CBGD C[C@@H](c1nc(-c2cccc(B(O)O)c2)no1)S(C)(=O)=O 585053740 PNHSPEYWWXIZNX-ZETCQYMHSA-N 296.113 -0.478 50 20 CBGD C[C@]1(c2nc(-c3ccc(B(O)O)cc3)no2)CNC(=O)C1 585055074 QIFRDHBTVNHWLW-CYBMUJFWSA-N 287.084 -0.806 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc(OC(F)F)c(F)c1 585059540 RCBNWLAMXSFWIS-UHFFFAOYSA-N 299.035 -0.283 50 20 CBGD O=C1CCCc2cc(C(=O)NCB(O)O)ccc2N1 585062730 WWWOIMSOTHLMOV-UHFFFAOYSA-N 262.074 -0.297 50 20 CBGD C[C@H]1CN(c2ccnc(C(=O)NCB(O)O)c2)C[C@H](C)O1 585062880 PAEULPPFGWJHTR-UWVGGRQHSA-N 293.132 -0.563 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C1(C#N)CCC1 736067251 IAJZHRODNFCFRN-UHFFFAOYSA-N 252.274 -0.648 50 20 CBGD O=C(NNC(=O)c1cocn1)c1cccc(-c2nn[nH]n2)c1 738134330 KWBHYUOHBLPCKF-UHFFFAOYSA-N 299.250 -0.071 50 20 CBGD COCCNC(=O)NNC(=O)Cc1ccncc1 747439505 BXOLLOCOGOKKFZ-UHFFFAOYSA-N 252.274 -0.399 50 20 CBGD Cn1c(N)c(C=NNC(=O)C2CCCC2)c(=O)n(C)c1=O 749814411 BVRUVFQIBZVZOZ-UHFFFAOYSA-N 293.327 -0.694 50 20 CBGD CC(C)[C@H](NS(C)(=O)=O)C(=O)NNc1cccnn1 753090724 YHTWEZYJYQBQRX-VIFPVBQESA-N 287.345 -0.507 50 20 CBGD O=C(NNc1nccc(N2CCOCC2)n1)[C@@H]1CCOC1 762867136 UDPKXNHPQYVZQF-SNVBAGLBSA-N 293.327 -0.207 50 20 CBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)C2CCC2)co1 764215353 KOJUNSSTIBICBR-UHFFFAOYSA-N 287.297 -0.512 50 20 CBGD Cn1ncc2cc(C(=O)NNC(=O)C(C)(C)O)cnc21 768241028 JQFNHYZSDBLWCR-UHFFFAOYSA-N 277.284 -0.500 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(C(=O)NC)CCC1 772091171 MVMLNOXNYGCUTL-MRVPVSSYSA-N 299.327 -0.608 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccnn1CC(F)F 789933666 FDLFZRHEBYSCCM-UHFFFAOYSA-N 298.253 -0.125 50 20 CBGD COc1nccnc1NNC(=O)C1(S(C)(=O)=O)CC1 798177698 NTAQBTHJAZDRSA-UHFFFAOYSA-N 286.313 -0.495 50 20 CBGD CN1CCN(C(=O)NNC(=O)CCc2cnccn2)CC1 807380937 WHHILJBXZBUBTB-UHFFFAOYSA-N 292.343 -0.603 50 20 CBGD CN1CCN(C(=O)NNC(=O)C2SCCS2)CC1 807381448 UNWGHVFVYOBFRP-UHFFFAOYSA-N 290.414 -0.219 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1COCCN1C1CCCC1 821216898 ASCLQQLDODAXGU-AAEUAGOBSA-N 285.388 -0.026 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccc(S(C)(=O)=O)nc1 822556127 DGMTZNOUUVNDDL-MRVPVSSYSA-N 287.341 -0.558 50 20 CBGD CCOCC(=O)NNC(=O)NCCN(C)C(=O)OC 822794963 WTIQCFOZKVKCMB-UHFFFAOYSA-N 276.293 -0.949 50 20 CBGD CCC(=O)N1CCC[C@@H](C(=O)NN(C)[C@H](C)CO)C1 823971493 VKULJFJZKWHMCJ-GHMZBOCLSA-N 271.361 -0.021 50 20 CBGD COC(=O)[C@H]1CCN(CC(=O)NNC(=O)C(C)C)[C@@H]1C 829146244 JBNFHBSDZBCYCI-ZJUUUORDSA-N 285.344 -0.327 50 20 CBGD CC(=O)N1CC[C@](C)(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1 843655042 TXATYIJAIGKUAB-PXWWUCIGSA-N 297.355 -0.183 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1 843981008 ZKNHMVNSINXYAV-AXFHLTTASA-N 285.344 -0.721 50 20 CBGD CCONC(=O)CNC(=O)NNC(=O)Cc1cccnc1 845546715 BLJBSRRJQZZRJR-UHFFFAOYSA-N 295.299 -0.978 50 20 CBGD COC(=O)c1sc(C)cc1NC(=O)C(=O)NNC(C)=O 850410773 VMNRZHLZNMWWMW-UHFFFAOYSA-N 299.308 -0.051 50 20 CBGD CC(=O)NCC(=O)NNC(=S)N[C@H](C)C1CC1 855104583 QYLQXBYOHYSLOZ-ZCFIWIBFSA-N 258.347 -0.584 50 20 CBGD C[C@@H](O)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C 855831804 HWRUITPYHABFCP-MRVPVSSYSA-N 273.333 -0.543 50 20 CBGD CC(C)OCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858104042 ZBFQTQSIUZACKP-VIFPVBQESA-N 286.332 -0.590 50 20 CBGD CCCn1cc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 860698544 XOLVGRVCESKWCI-VIFPVBQESA-N 294.315 -0.276 50 20 CBGD C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)C(C)(C)O)[C@@H]1C 861205834 LSSITHUFDQEXRR-BZNPZCIMSA-N 258.318 -0.036 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc3c(c2)CCO3)N1 862452441 WDHFEDKMUGJSCB-SNVBAGLBSA-N 289.291 -0.339 50 20 CBGD CC[C@](C)(NC(=O)c1cc(B(O)O)ccc1F)C(=O)OC 863872253 OTAFUNSSMPWBAT-ZDUSSCGKSA-N 297.091 -0.423 50 20 CBGD CCOC(=O)[C@H](C)N(C)C(=O)c1cccc(B(O)O)c1 863885076 GZHKOKCWPNBPGV-VIFPVBQESA-N 279.101 -0.610 50 20 CBGD CC[S@@](=O)CCNCc1cccc(B(O)O)c1 863888218 KNISUNVNDKPTAX-QGZVFWFLSA-N 255.148 -0.775 50 20 CBGD CC(=O)NCCNC(=O)NN=c1cc[nH]c(C)c1 874993712 GSXUQGFTLCZVOK-UHFFFAOYSA-N 251.290 -0.426 50 20 CBGD Cc1cc(=NNC(=O)NC[C@@H]2COCCO2)cc[nH]1 875127752 DTXWGNWKXUJDJS-LLVKDONJSA-N 266.301 -0.147 50 20 CBGD CNC(=O)NNC(=O)CCCN1CCN(C(C)C)CC1 900353627 XHSONSSJWFLHAO-UHFFFAOYSA-N 285.392 -0.247 50 20 CBGD CCOCC(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 912922031 ZMZOSIFECKCMLE-GHMZBOCLSA-N 287.360 -0.330 50 20 CBGD CO[C@H](C(=O)NNC(=O)CN1CCCC1=O)C1CC1 913732865 LOTYZWSETVVLQU-NSHDSACASA-N 269.301 -0.819 50 20 CBGD CNC(=O)NNC(=O)Cn1cc(C(N)=O)c2ccccc21 919880065 YCMSSQXVCMYWLK-UHFFFAOYSA-N 289.295 -0.300 50 20 CBGD C[C@@H]1COC[C@H]1NC(=O)NNC(=O)c1ccc[nH]1 925992546 AMXXDRYXERWVFD-VXNVDRBHSA-N 252.274 -0.006 50 20 CBGD CC(=O)N[C@H](C(=O)NNc1nccn(C)c1=O)C(C)C 1116193161 NCYDKTWELZZXGA-VIFPVBQESA-N 281.316 -0.616 50 20 CBGD COCCOCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1117677642 JFZQABPNFPYVAW-SNVBAGLBSA-N 294.373 -0.858 50 20 CBGD CS(=O)(=O)c1ccccc1C(=O)N1CC[C@@H](B(O)O)C1 1261844700 XZCUNSGBEISCNT-SECBINFHSA-N 297.141 -0.221 50 20 CBGD Cc1cc(NNC(=O)[C@@H]2CCS(=O)(=O)C2)ncn1 1318617314 REWXXYMAYKUHIG-MRVPVSSYSA-N 270.314 -0.337 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCn2cncc2C1 1319401997 BFZNSGDTDNKASV-SECBINFHSA-N 288.311 -0.062 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)Cc2ccncc2)C1=O 1320425889 GGBWKCLEFWPREE-JTQLQIEISA-N 276.296 -0.750 50 20 CBGD C[C@H](CO)CCCNC(=O)NNC(=O)c1cnn(C)c1 1323053198 XRKIDCVJZNCAHB-VIFPVBQESA-N 283.332 -0.227 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)NC[C@@H]1CCOC1 1323485625 LIBCRPUNWGYHQJ-NSHDSACASA-N 278.312 -0.009 50 20 CBGD CC(CCCO)=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1324202245 ODUSDLUEUQWQRL-SECBINFHSA-N 262.331 -0.314 50 20 CBGD Cc1nnc(NNC(=O)[C@@H]2C[C@]23CCOC3)nc1O 1325526517 UMNPPRMQHIEGRJ-CPCISQLKSA-N 265.273 -0.245 50 20 CBGD CN(C)N(C(=O)C(F)F)[C@@H]1CCS(=O)(=O)C1 1330175075 FLRPHIFLNYBWEI-ZCFIWIBFSA-N 256.274 -0.256 50 20 CBGD NC(=O)c1ccc(/C=C\C(=O)N2CC[C@@H](B(O)O)C2)o1 1335429384 BPTVRVZGOABMEY-DLRBJTRDSA-N 278.073 -0.533 50 20 CBGD O=C(CCO)NNC(=O)Nc1ccc(C2CC2)nn1 1338056711 HNYUQOOSDQKEQZ-UHFFFAOYSA-N 265.273 -0.111 50 20 CBGD Cn1cc([C@H]2OCCC[C@@H]2C=NNC(=O)CO)cn1 1552448505 DYJKUQPDUZGMGX-SKDRFNHKSA-N 266.301 -0.018 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(OC2CNC2)CC1 1576929524 QYDPVJWPCJNOLQ-SNVBAGLBSA-N 298.387 -0.615 50 20 CBGD Cc1ccccc1CC(=O)NNC(=O)[C@]1(C)C[C@H](O)CN1 1579796341 AGWZBDCDCQCBQF-WFASDCNBSA-N 291.351 -0.202 50 20 CBGD Nc1ccc(CC(=O)NNC(=O)c2ncon2)cc1 1580442870 IXBJKXICJPBJPC-UHFFFAOYSA-N 261.241 -0.345 50 20 CBGD CC[C@H](C(=O)O)N(C)CC(=O)NNC(=O)C(C)(C)C 1589441148 TYBGDVSNKWYWRP-MRVPVSSYSA-N 273.333 -0.025 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@@H]1CC(C(=O)O)=NO1 1594711502 XYMNYSWWDBWOCH-VIFPVBQESA-N 292.251 -0.999 50 20 CBGD O=C(O)C1=NO[C@H](C(=O)NNC(=O)[C@@H]2CCCS2)C1 1594889965 OXKFZGUQUZHNKY-BQBZGAKWSA-N 287.297 -0.741 50 20 CBGD O=C1CC[C@H](C(=O)NN[C@@H](C(=O)O)c2ccccc2)N1 1602638017 KYBHSXCGTGBEOL-MWLCHTKSSA-N 277.280 -0.288 50 20 CBGD O=C1CC[C@H](C(=O)NN=C2CC[C@@H](C(=O)O)C2)N1 1602639226 ZDNRDLXUGCIMJK-HTRCEHHLSA-N 253.258 -0.378 50 20 CBGD Cc1cc(NC(=O)C(=O)NNC(=O)C(=O)O)ccc1F 1607673455 FLHYDRKMIUUQPJ-UHFFFAOYSA-N 283.215 -0.695 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc[nH]1 6991151 ZNRJUQNVHKDJDR-UHFFFAOYSA-N 276.252 -0.201 50 20 CBGD CS(=O)(=O)N[C@H]1CCCN(C(=O)CCl)C1 37831171 QLRBGQVDRBLYOY-ZETCQYMHSA-N 254.739 -0.235 50 20 CBGD C[C@@]1(NNC(=O)NC[C@H]2CCCO2)CCS(=O)(=O)C1 42867922 NWZOSTGKGVBYOH-MWLCHTKSSA-N 291.373 -0.454 50 20 CBGD O=C(CO)NNC(=O)c1ccn(-c2ccccc2)n1 180964997 JHCFXIPXTUHXCA-UHFFFAOYSA-N 260.253 -0.374 50 20 CBGD C[C@H](C1CC1)n1cc(NC(=O)NNC(=O)CO)cn1 189828348 UMQLFLKMHOWDSB-SSDOTTSWSA-N 267.289 -0.001 50 20 CBGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)C1CC1 267726770 CCOSPQRBJHQHNC-UHFFFAOYSA-N 265.269 -0.580 50 20 CBGD CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NNc1nnc[nH]1 293985394 RPGWOQCRCVQPLG-YFKPBYRVSA-N 294.237 -0.049 50 20 CBGD C[C@H](C#N)CN(C)C(=O)c1ccc(B(O)O)c(F)c1 584933308 CNUHCEIAWUBBAS-MRVPVSSYSA-N 264.065 -0.263 50 20 CBGD C[C@@H](CNC(=O)c1cc(B(O)O)ccc1F)N(C)C 584935308 GIWSMCAVVYJTQN-QMMMGPOBSA-N 268.097 -0.815 50 20 CBGD CSC[C@H](C)NC(=O)c1ccc(B(O)O)cc1 584947802 BNUMTUKIQSPPQR-QMMMGPOBSA-N 253.132 -0.152 50 20 CBGD O=C(N[C@H]1CC[C@H](CO)CC1)c1cccc(B(O)O)c1 584962102 AQIYBKJULYFVSS-MJHDQNEOSA-N 277.129 -0.353 50 20 CBGD C[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C[C@H]1O 584969142 CHXSSXJLHCSHOZ-JOYOIKCWSA-N 263.102 -0.791 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCCOCC12CC2 584988883 UJDFDXKXYYTEDY-UHFFFAOYSA-N 293.103 -0.099 50 20 CBGD O=C(N[C@H]1C[C@H]2CCCCN2C1)c1cccc(B(O)O)c1 584997742 ITJDKRBGBFHOQD-UONOGXRCSA-N 288.156 -0.277 50 20 CBGD CC[C@H](C)NC(=O)[C@H](C)NCc1ccc(B(O)O)cc1F 585032736 LCEIUGWDKKPUDZ-UWVGGRQHSA-N 296.151 -0.102 50 20 CBGD O=S(=O)(Cc1ccc(F)cc1F)NCB(O)O 585056343 TUAAMUMVRHNIQJ-UHFFFAOYSA-N 265.046 -0.604 50 20 CBGD O=C(/C=C/c1ccc2c(c1)OCCO2)NCB(O)O 585058853 RRVXTCFCRXYPQQ-DUXPYHPUSA-N 263.058 -0.401 50 20 CBGD CN1C(=O)CC[C@@H](C(=O)NCB(O)O)[C@H]1c1ccccc1 585059340 JXGHQJCLQNKOEB-DGCLKSJQSA-N 290.128 -0.276 50 20 CBGD O=C(Cc1ccccc1OC(F)F)NCB(O)O 585060277 BUTACJCXYIOUPA-UHFFFAOYSA-N 259.017 -0.041 50 20 CBGD CCc1c(C(=O)NCB(O)O)[nH]c(C)c1C(C)=O 585061701 DXMQXAYEFAFJSC-UHFFFAOYSA-N 252.079 -0.170 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cscn1 728518886 VADDXBMEWWFDDV-UHFFFAOYSA-N 256.287 -0.170 50 20 CBGD Cc1cc(OCC(=O)NNC(=O)c2c[nH]nc2C)no1 732084622 SNDFGXUBMWBCNC-UHFFFAOYSA-N 279.256 -0.145 50 20 CBGD CCC1(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)COC1 755132563 PNJJWCQGJALLEQ-JTQLQIEISA-N 290.385 -0.095 50 20 CBGD O=C1CC[C@@H](C(=O)NN=c2cc[nH]cc2Cl)N1 757405786 GOUMBIWXLLFMOZ-QMMMGPOBSA-N 254.677 -0.121 50 20 CBGD Cc1nc(N)sc1C(=O)NN=C1CCN(C)C1=O 761781351 KARMFKCANANACX-UHFFFAOYSA-N 267.314 -0.018 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CO)c(Cl)c1 764428574 HLBUOHCBBTWPDM-UHFFFAOYSA-N 285.687 -0.273 50 20 CBGD O=C(NNc1ncc(F)cn1)[C@@]1(O)CCSC1 765883252 XDRWWNJVWGWNDW-SECBINFHSA-N 258.278 -0.073 50 20 CBGD CC(C)[C@@](C)(O)C(=O)NNc1nc(O)c2cnn(C)c2n1 771351525 BWPBWSKLYMCGMP-GFCCVEGCSA-N 294.315 -0.081 50 20 CBGD COC(=O)CNC(=O)NNC(=S)NC(C)(C)C 779719766 DKAFXFSKNFCVOH-UHFFFAOYSA-N 262.335 -0.364 50 20 CBGD COc1ccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cn1 780209513 ZBDFZGRTPNEMPH-SNVBAGLBSA-N 297.336 -0.025 50 20 CBGD COC(=O)c1ccc(S(=O)(=O)NNC(C)=O)c(F)c1 794578752 LTVSQLZFSZJZOM-UHFFFAOYSA-N 290.272 -0.058 50 20 CBGD C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)C(=O)N1CCCC1 800327851 AFFZPUPEPOXKPO-AEJSXWLSSA-N 283.328 -0.430 50 20 CBGD COC(=O)c1cnc(C(=O)NNC(=O)CC2CC2)cn1 819122980 NECADYZKDSOXCV-UHFFFAOYSA-N 278.268 -0.176 50 20 CBGD COc1cc(CCC(=O)NN(C)[C@@H](C)CO)on1 823913529 WELSHYWDEMSSQS-QMMMGPOBSA-N 257.290 -0.040 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 823917509 JFKCZSHADWSSBZ-GARJFASQSA-N 295.339 -0.719 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@]1(C)CCNC1=O)C1CC1 824328984 YWXXSEBJEAHMQH-JVXZTZIISA-N 284.385 -0.194 50 20 CBGD CC(=O)N1CCC[C@H](C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1 843646578 WLOXVSNTGUCXLY-ADEWGFFLSA-N 297.355 -0.183 50 20 CBGD COC(=O)NNC(=O)[C@@H]1CCCN1C(=O)C1CC1 844129681 RRPAOTPBULPEGL-QMMMGPOBSA-N 255.274 -0.225 50 20 CBGD CCC(CC)(CO)C(=O)NNC(=O)N1CCOCC1 847403015 OBGBHLMBZICEIX-UHFFFAOYSA-N 273.333 -0.142 50 20 CBGD Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N2)c1 854190759 IMGWVORSPWJPHZ-NSHDSACASA-N 291.307 -0.282 50 20 CBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNc1ncccc1[N+](=O)[O-] 857151863 NUVHLSWFBIJOIW-NKWVEPMBSA-N 279.256 -0.056 50 20 CBGD COCC(C)(C)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858483198 BLZZBLJXAZSLRM-QMMMGPOBSA-N 286.332 -0.732 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2Cc3ccccc32)N1 862455965 TVDJZPFTWMOOGW-GHMZBOCLSA-N 273.292 -0.248 50 20 CBGD CC(C)(C)C(=O)CNC(=O)c1ccc(B(O)O)cc1 863878595 SUTLUOOUGBQLHC-UHFFFAOYSA-N 263.102 -0.289 50 20 CBGD N#CCN1CCC(NCc2ccccc2B(O)O)CC1 863888568 HKBWLXAVPRVYEW-UHFFFAOYSA-N 273.145 -0.556 50 20 CBGD COC[C@@](C)(CO)N[C@H](C)C(=O)NNC(=O)CC(C)C 879161828 DFUQQZJZPVVFPJ-ZWNOBZJWSA-N 289.376 -0.445 50 20 CBGD CN1C(=O)CS/C1=C\C(=O)NNC(=O)C1CCOCC1 899235310 CGDBDHKTBXKIJQ-WDZFZDKYSA-N 299.352 -0.393 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)C(C)(C)C)C1=O 900221601 UBBGGPRLSPDNOZ-SSDOTTSWSA-N 257.290 -0.963 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@@H]1C[C@@H]1C(N)=O)C1CC1 912162196 VVXZUYZPBQAVEE-APQOSEDMSA-N 270.358 -0.598 50 20 CBGD CC[C@@H](OC)C(=O)NNC(=O)CN1CCCC1=O 913730774 ISBZZYWZMCOGGU-MRVPVSSYSA-N 257.290 -0.819 50 20 CBGD C#Cc1ccc(C(=O)NNC(=O)CN2CCCC2=O)cn1 913731016 QWSKEJVUSHZEPH-UHFFFAOYSA-N 286.291 -0.554 50 20 CBGD C[C@H]1CC[C@H](C)N1CC(=O)NNC(=O)CN1CCCC1=O 913731042 RKNSITACFLDYRX-QWRGUYRKSA-N 296.371 -0.371 50 20 CBGD O=C(CCCC(=O)C1CC1)NNC(=O)CN1CCCC1=O 913733753 UQFKRAVQSSRMEN-UHFFFAOYSA-N 295.339 -0.094 50 20 CBGD O=C(CSc1nnnn1C1CC1)NNC(=O)C1CC1 914110034 YYUXYNRJRKFMBT-UHFFFAOYSA-N 282.329 -0.343 50 20 CBGD CC(C)C1(C(=O)NNC(=O)Cc2cc[nH]n2)COC1 932157453 ZYOCDAWUOAOQAA-UHFFFAOYSA-N 266.301 -0.228 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC(C)(C)OCC1CC1 1118005223 DMLKXVIEUUQMGY-UHFFFAOYSA-N 287.316 -0.305 50 20 CBGD COc1cc(CCC(=O)NNC(=O)C(=O)NC2CC2)on1 1118741579 AACPHXGOBVURFY-UHFFFAOYSA-N 296.283 -0.958 50 20 CBGD O=C(NNC(=O)C1(F)CCOCC1)N1CCOCC1 1118981994 GWILPNLOHBUFMI-UHFFFAOYSA-N 275.280 -0.422 50 20 CBGD O=C(CN1C(=O)CNC1=O)NNC(=O)c1ccccc1F 1317702484 GRDDJKJVHIOVCB-UHFFFAOYSA-N 294.242 -0.862 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCO[C@@H](C(C)C)C1 1320574888 ZRYWXYNYDNTZKH-DTWKUNHWSA-N 287.316 -0.307 50 20 CBGD CN1N=C(C(=O)NNc2ccn(C)n2)CCC1=O 1320949205 ORMXIPPODBVYDI-UHFFFAOYSA-N 250.262 -0.529 50 20 CBGD C=Cn1cc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cn1 1320993204 FRSQFXVPIYPOBE-SNVBAGLBSA-N 282.325 -0.132 50 20 CBGD COc1ccc(C(=O)NN)cc1N1CCNC1=O 1327107738 SQLLMCPLSAZZNO-UHFFFAOYSA-N 250.258 -0.172 50 20 CBGD CC(C[C@H]1CCC(=O)N1)=NNC(=O)CS(C)(=O)=O 1330141896 GSZLWLHTYJANPU-MRVPVSSYSA-N 275.330 -0.808 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@@H]2C[C@H]3C=C[C@H]2C3)N1 1335583416 QPEMEAWGUDEAPJ-NAKRPEOUSA-N 292.339 -0.192 50 20 CBGD CSCc1noc(CCC(=O)NNC(=O)CO)n1 1342319422 BBPDYLRLZIOENF-UHFFFAOYSA-N 274.302 -0.995 50 20 CBGD COCCO[C@@H](C)C(=O)NN=Cc1ncnn1C 1345931589 SCMZXKGVTVHPCG-QMMMGPOBSA-N 255.278 -0.683 50 20 CBGD O=C(NNC(=O)C1CCOCC1)c1cnns1 1353030735 SXXVKTGIZNQSLW-UHFFFAOYSA-N 256.287 -0.274 50 20 CBGD COCCOc1ccc(C(=O)NNC(=O)CCN)cc1 1579061864 VVRLNCXWIIKRMT-UHFFFAOYSA-N 281.312 -0.178 50 20 CBGD C=CC[C@@H](NNC(=O)c1ccc(=O)n(C)c1)C(=O)O 1588750318 VTSVDRALDHXWNU-SECBINFHSA-N 265.269 -0.351 50 20 CBGD CC(C)C[C@H](CNC(=O)NNC(=O)C(=O)O)C(=O)O 1591150982 ZDMKHCOUAAPXTE-ZCFIWIBFSA-N 275.261 -0.852 50 20 CBGD Cc1csc(NC(=O)NNC(=O)CO)c1-c1nn[nH]n1 1592319313 BFJAQBXDYZUMDU-UHFFFAOYSA-N 297.300 -0.618 50 20 CBGD O=C(NCCCOCC(F)(F)F)NNC(=O)C(=O)O 1601499620 KKCDELKDSOUSFP-UHFFFAOYSA-N 287.194 -0.630 50 20 CBGD CC[C@@H](C)C(=O)NNS(=O)(=O)c1n[nH]cc1C(=O)O 1604919361 UGEJBJKZURNVPX-RXMQYKEDSA-N 290.301 -0.537 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@H]1C[C@@H](C(=O)O)C1 1608129696 SSXSHRQJINJJLG-OCAPTIKFSA-N 265.269 -0.103 50 20 CBGD CCOC(=O)NNS(=O)(=O)c1cnn(CC)c1 66577093 UHQKUVXUWCOFRU-UHFFFAOYSA-N 262.291 -0.158 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)NCC(F)(F)F 68027234 RCMRFLVBKVXCLH-RXMQYKEDSA-N 299.253 -0.284 50 20 CBGD CCN(CC)CC(=O)NNC(=O)c1cnn(C)c1 117820493 UVBBVJPUWQMHFP-UHFFFAOYSA-N 253.306 -0.477 50 20 CBGD Cn1cnc(C(=O)NNC(=O)Cc2ccncc2)c1 179018607 RIXCWDOLGAINJL-UHFFFAOYSA-N 259.269 -0.181 50 20 CBGD OB(O)c1ccc(OCCOC[C@H]2CCCO2)cc1 203177772 BRAFUTVLSZDBBU-CYBMUJFWSA-N 266.102 -0.059 50 20 CBGD C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)C(=O)NC1CC1 245203224 MRTVTTPXNOSWKP-KXUCPTDWSA-N 296.371 -0.326 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)c1ccc(C)o1 270517997 QGFKIHQWDUYLFI-UHFFFAOYSA-N 254.246 -0.722 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)[C@@H]2COCCO2)n1 273517881 PZVZCAQKAWQHMR-YFKPBYRVSA-N 273.680 -0.429 50 20 CBGD CO/N=C/C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 282837428 AVDDZINKQMZOTB-FYTLYHSASA-N 279.252 -0.394 50 20 CBGD CS(=O)(=O)CCNC(=O)NNc1ncccc1F 288354544 YFNJEHZZXXJCOF-UHFFFAOYSA-N 276.293 -0.109 50 20 CBGD COCC[C@@H](CO)NS(=O)(=O)CCCCl 300867492 MUWMZAONRKZAPY-QMMMGPOBSA-N 259.755 -0.068 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)OC(C)(C)C 493138696 LNFKRJJQJXQAET-ZCFIWIBFSA-N 281.334 -0.520 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)c1cn(C2CC2)nn1 584912997 YTRIYCZJOHNWJV-UHFFFAOYSA-N 272.073 -0.455 50 20 CBGD CC[C@@H](C)N(C)CCNC(=O)c1cccc(B(O)O)c1 584939714 KIKNMBHLNWCSRL-LLVKDONJSA-N 278.161 -0.174 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H](N2CCCC2)C1 584940399 VCLLPKUVNRUAMZ-CQSZACIVSA-N 288.156 -0.323 50 20 CBGD O=C(N[C@H]1CC[C@@H](CO)C1)c1cc(B(O)O)ccc1F 584996179 ZSEGQILACOXXRK-SCZZXKLOSA-N 281.092 -0.604 50 20 CBGD C[C@@](CO)(CCF)NC(=O)c1cccc(B(O)O)c1 585010235 LAGZIZYEFKIAFO-LBPRGKRZSA-N 269.081 -0.793 50 20 CBGD C[C@]1(CNCc2cccc(B(O)O)c2)CCC(=O)NC1 585048015 IUCTUDWMJMVCCR-CQSZACIVSA-N 276.145 -0.628 50 20 CBGD O=S(=O)(Cc1c(F)cccc1F)NCB(O)O 585055920 LEWWECNBZAHEPL-UHFFFAOYSA-N 265.046 -0.604 50 20 CBGD Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NCB(O)O 585059261 GXLHLSPNUUUHDA-UHFFFAOYSA-N 289.166 -0.554 50 20 CBGD CCc1nc(C(=O)NCB(O)O)nn1-c1ccccc1 585060838 ZTSYZHUUUHROFJ-UHFFFAOYSA-N 274.089 -0.429 50 20 CBGD CC(C)NC(=O)NNC(=O)C1(C(=O)NC2CC2)CC1 726165158 ZTOWGTRRIZSENF-UHFFFAOYSA-N 268.317 -0.216 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(CNC(N)=O)cc1 733361102 OJZJMBZDLRHGBT-UHFFFAOYSA-N 293.327 -0.823 50 20 CBGD O=C(NCCN1C(=O)CNC1=O)NNc1ccccc1 734277766 HPFBFEJNYUIWQU-UHFFFAOYSA-N 277.284 -0.136 50 20 CBGD CNC(=O)[C@H]1CCCN1CC(=O)NNC(=O)C(C)(C)C 744391568 ZLZBBHXAVHOKKN-SECBINFHSA-N 284.360 -0.610 50 20 CBGD O=C(NN=Cc1ccc(O)c(O)c1)C(=O)NC1CC1 744824295 VSMGCHOAZAIGCJ-UHFFFAOYSA-N 263.253 -0.174 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC12CCC2 758041024 URBDIIQRCOOLGY-YUMQZZPRSA-N 289.357 -0.738 50 20 CBGD CC[C@H](C)[C@H](C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758041085 WGJZNPCBJDBEPA-XHNCKOQMSA-N 293.389 -0.246 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CCNC(=O)C2)n1 760297545 ZUAAAVXAFNYJKR-JTQLQIEISA-N 293.327 -0.826 50 20 CBGD CC(C)CS(=O)(=O)CCC(=O)NNC(=O)C(C)(C)O 768259245 GJIKQGZDXDELCH-UHFFFAOYSA-N 294.373 -0.634 50 20 CBGD Cc1cc(NC(=O)NNC(=O)CN(C)C)nnc1C 775619891 CIEFHBXSMSYBRK-UHFFFAOYSA-N 266.305 -0.192 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)CO1 784150063 YLCYTGZQFLUGDU-BDAKNGLRSA-N 269.301 -0.819 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)N2CCOCC2)cc1O 785408250 KXEXPHFRARERPN-UHFFFAOYSA-N 290.279 -0.050 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)Cc1cnn(C)c1 790064276 ZRWPYDFIZFZBFN-UHFFFAOYSA-N 298.343 -0.101 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCCCN2C)CC1 807382342 AULURUAAZBEUFZ-NSHDSACASA-N 283.376 -0.541 50 20 CBGD Cc1cnc(C(=O)NNC(=O)N2CCN(C)CC2)o1 813818482 RZVAJSJJTADTFP-UHFFFAOYSA-N 267.289 -0.415 50 20 CBGD CCOC(=O)N1CSC[C@@H]1C(=O)NN(C)[C@@H](C)CO 823384499 MQMNRJGEHCLSQH-DTWKUNHWSA-N 291.373 -0.138 50 20 CBGD CCN(CCO)NC(=O)CCn1c(C)csc1=O 823838140 LKIDIDKLPJDDKW-UHFFFAOYSA-N 273.358 -0.046 50 20 CBGD Cc1cnc(COCC(=O)NN(C)[C@@H](C)CO)o1 823922590 LEAXETDMVGCOHC-QMMMGPOBSA-N 257.290 -0.157 50 20 CBGD COCCOCC(=O)NNC(=O)C1(CN(C)C)CC1 825138099 ZJDHQVMGFLPIBL-UHFFFAOYSA-N 273.333 -0.861 50 20 CBGD COCC(COC)NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 826918611 XKOVHVMYGVINFJ-WCBMZHEXSA-N 289.332 -0.597 50 20 CBGD COC(=O)c1cccc(NNC(=O)[C@@H]2CC(=O)N2)c1 831894425 OKVGXSRNEOJIHU-VIFPVBQESA-N 263.253 -0.195 50 20 CBGD CCOCCONC(=O)NNC(=O)[C@@H]1CCCCO1 836405170 XMSOOYNCQRATPW-VIFPVBQESA-N 275.305 -0.146 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](NC)C1 843348884 VLAZXUBJJCZXIJ-UWVGGRQHSA-N 256.350 -0.384 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)nn1 843650835 HVFSTVVUBWEWHC-YUMQZZPRSA-N 280.284 -0.329 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1 843662576 RRAFIRRNSQZPPE-RKDXNWHRSA-N 284.312 -0.098 50 20 CBGD CNC(=S)N(C)NC(=O)CC[C@@]1(C)CCC(=O)N1 854922543 CALUAELMDUCEST-LLVKDONJSA-N 272.374 -0.097 50 20 CBGD CN(C)C1(C(=O)NNC(=O)c2cc[nH]n2)CCC1 855355930 COXSJPNTZZBSEP-UHFFFAOYSA-N 251.290 -0.345 50 20 CBGD O=C(NNC(=O)[C@H]1CC12CCOCC2)c1cn[nH]c1 855568811 NCQFBAHSPAWMIZ-SECBINFHSA-N 264.285 -0.013 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCOC3(CCC3)C2)N1 858698392 ZHVACTIMMUPDQI-SECBINFHSA-N 296.327 -0.739 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1cccc(C)n1 862521018 HQTYHKBOJQQKLD-UHFFFAOYSA-N 266.301 -0.062 50 20 CBGD CC(C)N1CC(=NNC(=O)CS(C)(=O)=O)[C@H](C)C1 863187526 NYYYGMCSJKAIEQ-SECBINFHSA-N 275.374 -0.137 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1cnc(C)nc1C 863189179 BZMZSEXKNHGIOH-UHFFFAOYSA-N 284.341 -0.022 50 20 CBGD O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2cccc(B(O)O)c2)no1 863893021 NXBGDWPKCIUZMD-RKDXNWHRSA-N 275.029 -0.451 50 20 CBGD CN(CC(=O)NNc1ccc(F)cn1)S(C)(=O)=O 874651612 RSQOSOWRGPSPHG-UHFFFAOYSA-N 276.293 -0.445 50 20 CBGD C#CCCCC(=O)NNC(=O)CCCN1C(=O)CCC1=O 887141644 BZYYUOHLEZAYQT-UHFFFAOYSA-N 293.323 -0.134 50 20 CBGD CN(C(=O)N1CC[C@H](B(O)O)C1)C1CCOCC1 1118916753 ULCSUOKGZDBGLN-VIFPVBQESA-N 256.111 -0.234 50 20 CBGD C[C@@H](C(=O)NNc1ncncc1F)[C@H]1CCC(=O)N1 1261825114 VTKZLOYFBWVYTD-HTRCEHHLSA-N 267.264 -0.027 50 20 CBGD O=C([C@H]1CCCN1c1ncccn1)N1CC[C@H](B(O)O)C1 1262157290 ZYAWQXDWOQHJMC-WDEREUQCSA-N 290.132 -0.479 50 20 CBGD C#CCNC(=O)NNC(=O)c1nnc(O)c2ccccc12 1317851246 PLMHNOPZJCULLF-UHFFFAOYSA-N 285.263 -0.087 50 20 CBGD O=C(NNC(=O)c1ccc2nccnc2c1)C(=O)NC1CC1 1319963508 ULEAJRGBQJFXSS-UHFFFAOYSA-N 299.290 -0.331 50 20 CBGD CC[C@@H](CSC)NC(=O)NNC(=O)C(=O)OC 1320053370 NZKSVXPGZSKFMR-LURJTMIESA-N 263.319 -0.369 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1cn(C)c(Cl)n1 1324116250 ZRGSIYAXRYOAGT-UHFFFAOYSA-N 281.725 -0.462 50 20 CBGD O=C(NNC(=O)C1CCCC1)C(=O)Nc1cnns1 1326340851 DQUKZYPXYIKITM-UHFFFAOYSA-N 283.313 -0.186 50 20 CBGD C[C@@H](NNC(=O)CCS(C)(=O)=O)C(F)(F)F 1329064720 WYPYBSOHQHLLNA-RXMQYKEDSA-N 262.253 -0.007 50 20 CBGD C=CC[C@H](NCc1ccccc1B(O)O)C(=O)OCC 1329182457 GBNXZBBBVXHZDA-ZDUSSCGKSA-N 277.129 -0.036 50 20 CBGD Cc1ncsc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1329523276 WXFLECDUPXDLAW-ZCFIWIBFSA-N 268.298 -0.509 50 20 CBGD CC(C)(C(N)=O)C(=O)NNC(=O)Cc1ccncc1 1343820511 ZVEUPEKNFGMEPU-UHFFFAOYSA-N 264.285 -0.717 50 20 CBGD C=C[C@@](C)(O)CC(=O)NNC(=O)CCCCCN 1574872344 KFSFHYOVBBTYRY-GFCCVEGCSA-N 257.334 -0.020 50 20 CBGD CC(C)[C@@H](C(=O)NNC(=O)c1ncon1)[C@@H](C)N 1575415567 UAXBNVQBFLTGFR-RNFRBKRXSA-N 255.278 -0.550 50 20 CBGD C=C[C@@H](NNC(=O)c1ccc(=O)n(C)c1)C(=O)O 1588699870 AETJJOCELSZMKI-MRVPVSSYSA-N 251.242 -0.741 50 20 CBGD COCCN(C)NC(=O)c1ccc(-c2nn[nH]n2)c(C)n1 1591420258 APTXTTWKSIEWDR-UHFFFAOYSA-N 291.315 -0.207 50 20 CBGD Cn1nc(C(=O)O)cc1C(=O)NNC(=O)C1CC1 1594569704 ZVICHODSBNMXMP-UHFFFAOYSA-N 252.230 -0.711 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@H]1C(=O)O 1599863117 NNLCGHYDTBMYRX-LDYMZIIASA-N 277.085 -0.841 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1c2ccccc2OC[C@@H]1F 1601552713 FOBZCHXVXPWDRK-IONNQARKSA-N 297.242 -0.127 50 20 CBGD C[C@@H](C(=O)O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 1602804787 LSYSEWVWLPQGPW-GMSGAONNSA-N 294.263 -0.306 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1c[nH]c(C(=O)O)c1 1609880079 VKRHAMUEYQOESO-XPUUQOCRSA-N 281.268 -0.101 50 20 CBGD N#Cc1ccc(CNC(=O)NNC(=O)C(=O)O)cc1 1610627916 KCRYEXMLPFFPCI-UHFFFAOYSA-N 262.225 -0.527 50 20 CBGD COCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 41781285 DRAQGSRNTIWFPV-JTQLQIEISA-N 266.253 -0.380 50 20 CBGD O=C(Cc1ccc(-n2cnnn2)cc1)NNC(=O)C1CC1 47440676 WDLYFPSELJXHJA-UHFFFAOYSA-N 286.295 -0.238 50 20 CBGD O=C(CN1CC[C@H](C(=O)O)C1)NNC(=O)c1ccccc1 62133681 UOXLJRGDNQLYJZ-NSHDSACASA-N 291.307 -0.146 50 20 CBGD CN(C)C(=O)CNC(=O)NNc1ccc(Cl)nn1 127347512 WVRCGVSDWMEDGV-UHFFFAOYSA-N 272.696 -0.156 50 20 CBGD COC(=O)NCCCC(=O)NNC(=O)c1ccc[nH]1 264405480 DCCWGQXCAFKGRZ-UHFFFAOYSA-N 268.273 -0.088 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCC[C@H](O)[C@H]1C(=O)OC 275585402 OPIGTSJKTGPWPW-WRSFFWLLSA-N 282.296 -0.045 50 20 CBGD C[C@H](O)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 292316633 VOOJOWBACYFZJW-QMMMGPOBSA-N 287.341 -0.239 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)C(C)(F)F 292888854 WKPYOSGYQKEATH-LURJTMIESA-N 265.260 -0.050 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)C[C@H]1N 300168123 UBUWCOAURUEGMM-ZYHUDNBSSA-N 276.340 -0.273 50 20 CBGD CCO/C=C(/C#N)C(=O)NC[C@H]1CC(C(N)=O)=NO1 490692996 IBCHQCQVUPJERO-NFXKFNAJSA-N 266.257 -0.823 50 20 CBGD CC(=O)NC1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584937990 TWYNBYKJOBKTMS-UHFFFAOYSA-N 290.128 -0.893 50 20 CBGD CN(CCNC(=O)c1ccc(B(O)O)cc1)C1CCCC1 584942837 YHOJVFSOXMHYEG-UHFFFAOYSA-N 290.172 -0.029 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N(CCCCO)C1CC1 584966145 WTSJOBZWDRXJIN-UHFFFAOYSA-N 295.119 -0.117 50 20 CBGD CC(C)[C@H]1CN(C(=O)c2cccc(B(O)O)c2)CCN1C 584981447 WLJOQAYFSDRMMW-CQSZACIVSA-N 290.172 -0.221 50 20 CBGD O=C(Nc1nncn1C1CC1)c1cc(B(O)O)ccc1F 584987403 OHBOKNAITAHHGJ-UHFFFAOYSA-N 290.063 -0.316 50 20 CBGD CCN(CCOC)C(=O)c1cc(B(O)O)ccc1F 584989704 SXUCCSFLCMXBOT-UHFFFAOYSA-N 269.081 -0.386 50 20 CBGD C[C@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)CS1 585002252 RCIRRRLXASEQQT-KWQFWETISA-N 265.143 -0.010 50 20 CBGD C[C@@H](C#N)N(C(=O)c1ccc(B(O)O)cc1)C1CC1 585006996 SEKZAXNHPIVNRR-VIFPVBQESA-N 258.086 -0.117 50 20 CBGD COCCOCCCNCc1ccc(B(O)O)cc1 585014845 GEEMSBYTERVBEB-UHFFFAOYSA-N 267.134 -0.491 50 20 CBGD O=C1CCCCN1CCCNCc1ccc(B(O)O)o1 585022614 SNJNLTGXLRVRSH-UHFFFAOYSA-N 280.133 -0.548 50 20 CBGD CCO[C@@H]1COCC[C@@H]1NCc1ccccc1B(O)O 585035741 YJVXSKYDQYUMNV-UONOGXRCSA-N 279.145 -0.350 50 20 CBGD CCC(=O)c1ccc(OCC(=O)NCB(O)O)cc1 585055893 GORZKGSKPMKZRP-UHFFFAOYSA-N 265.074 -0.214 50 20 CBGD O=C(NCC(=O)N1CC[C@H](B(O)O)C1)c1ccccc1 585071133 NDNFBQDXXRMNNU-NSHDSACASA-N 276.101 -0.508 50 20 CBGD COCCN1CCN(S(=O)(=O)CCl)CC1 725351369 LWMWXOMRZBFSSJ-UHFFFAOYSA-N 256.755 -0.224 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccncc1 728437074 WZTZTZHJZZUQMV-VIFPVBQESA-N 284.341 -0.141 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccc[nH]1 728437570 UKXOHEGKCNWFII-QMMMGPOBSA-N 272.330 -0.207 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@H]2CCS(=O)(=O)C2)n1 740112072 CDGTUIYFRIOTQJ-QMMMGPOBSA-N 299.356 -0.580 50 20 CBGD CS(=O)(=O)C1(C(=O)NNC(=O)NC2CC2)CCCC1 749851954 RMUBBBPXRUVSGN-UHFFFAOYSA-N 289.357 -0.163 50 20 CBGD CCCNC(=O)NNC(=O)C(=O)N1CCC[C@H](C)C1 767741685 QGUVOVRQKMBZQM-VIFPVBQESA-N 270.333 -0.015 50 20 CBGD COCCn1ccc(C(=O)NNC(=O)c2c[nH]nc2C)n1 784399188 YUBXCZONDUEIAC-UHFFFAOYSA-N 292.299 -0.364 50 20 CBGD COC(=O)c1ccc(/C=C(\C#N)S(N)(=O)=O)[nH]1 799894285 QYLFPQZBTURLLA-QPJJXVBHSA-N 255.255 -0.046 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H](COC)OC 823810411 LCARFEUCFGPDQB-MRVPVSSYSA-N 263.294 -0.985 50 20 CBGD C[C@@H]1C[C@H](NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CO1 828422155 UAFCMONOMYONPX-WCABBAIRSA-N 291.373 -0.455 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CC1OCCO1 843970362 DYQKFKAJWMWXNI-HTQZYQBOSA-N 258.274 -0.678 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CC[C@@H]1C(N)=O 848234064 BUABPZDHHGPLHD-JBDRJPRFSA-N 269.301 -0.930 50 20 CBGD O=S(=O)(CCl)N1CCC[C@@H](n2cc(CO)nn2)C1 849394684 DSUTVLACVCAFHI-SECBINFHSA-N 294.764 -0.067 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)C1=NN2CCCN=C2N1 854162505 LCPGJUFVSACMDF-UHFFFAOYSA-N 282.304 -0.479 50 20 CBGD COCn1ccc(C(=O)NNC(=O)c2cccn2C)n1 854287987 RIKPORGLCQMIPJ-UHFFFAOYSA-N 277.284 -0.100 50 20 CBGD CC(=O)NCC(=O)NCC(=O)NNc1cc(F)ccc1C 855368104 ZTNWWDSXKUBYPP-UHFFFAOYSA-N 296.302 -0.170 50 20 CBGD CN(C)CC(=O)NNC(=O)c1c(Cl)cnn1C 857109148 JUQRUBDOZUWSFE-UHFFFAOYSA-N 259.697 -0.604 50 20 CBGD CSC[C@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858233833 VSNCBXZGKRJGCN-BQBZGAKWSA-N 274.346 -0.653 50 20 CBGD CON(C)C(=O)[C@@H](C)NC(=O)NNC(=O)C1CCCC1 858393294 PZABATGYPBRBSK-MRVPVSSYSA-N 286.332 -0.085 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCN1C(C)(C)C 862994678 VYDQWNMEYILDCI-MRVPVSSYSA-N 257.334 -0.223 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C[C@@H]1CC[C@H]2C[C@@H]12 863465787 LCPLSARWTDDDAO-XHNCKOQMSA-N 274.342 -0.385 50 20 CBGD C[C@@H](CC(=O)NNC(=O)CS(C)(=O)=O)c1ccco1 863467334 SUMXJMMXAQTLQO-QMMMGPOBSA-N 288.325 -0.035 50 20 CBGD COC(=O)[C@H](C)CN(C)C(=O)c1cc(B(O)O)ccc1F 863872192 BNFGGLDVCZZLFL-MRVPVSSYSA-N 297.091 -0.613 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@@]2(CCOC2)C1 866503427 QRKKJXYRHFBWCP-CQSZACIVSA-N 293.103 -0.242 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1COc2ccc(O)cc2O1 868859724 KUQHLNNIVXGOQN-SNVBAGLBSA-N 297.336 -0.001 50 20 CBGD CC[C@@](C)(OC)C(=O)NNC(=O)COCCOC 869906485 MMCOZKFNNMIAQK-LLVKDONJSA-N 262.306 -0.388 50 20 CBGD COc1c(C(=O)NN(C)C[C@@H](C)O)c(C)nn1C 910169472 ZEDYTEIHPUPHDI-SSDOTTSWSA-N 256.306 -0.305 50 20 CBGD COc1ccc2c(c1)C(=NNC(=O)C(N)=O)CCO2 912779282 ZAHHCFDYUBRASA-UHFFFAOYSA-N 263.253 -0.217 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1C[C@@H]1C1CC1 913732918 NPACLGLOOAKVDG-ZJUUUORDSA-N 265.313 -0.198 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(OC)c(F)c1 919960712 CFRNYDAOYLBDJH-UHFFFAOYSA-N 277.277 -0.043 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCOC2(CCCC2)C1 1116306785 IYIYVSTWQUEHFA-VIFPVBQESA-N 299.327 -0.018 50 20 CBGD C[C@@H](C(=O)NNC(=O)NCC1CC1)[C@H]1CCC(=O)N1 1261792685 HOAWAVRPSMPSOC-VXNVDRBHSA-N 268.317 -0.359 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CNC(C)(C)C 1318228489 OLHPXTNLFHRONE-UHFFFAOYSA-N 258.322 -0.954 50 20 CBGD CN(C)C(=O)NNC(=O)c1cc(OC(F)F)n(C)n1 1320279034 DJVHFKMOAFAMMB-UHFFFAOYSA-N 277.231 -0.063 50 20 CBGD Cn1cc(C(=O)NNS(=O)(=O)c2ccco2)cn1 1320877643 NCSXSHGHPXTEPR-UHFFFAOYSA-N 270.270 -0.364 50 20 CBGD COc1ccc(NC(=O)NNC(=O)CCO)c(OC)n1 1323985062 HYBITMSZKNMDBP-UHFFFAOYSA-N 284.272 -0.366 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@H]1CCSC1 1324954880 UDVFUKRLMXKACN-ZETCQYMHSA-N 272.330 -0.899 50 20 CBGD Cn1nc(C(F)(F)F)cc1C=NNC(=O)C(N)=O 1327632308 MJLCOQUXHYRJKB-UHFFFAOYSA-N 263.179 -0.626 50 20 CBGD C[C@H](Cn1cccn1)NC(=O)NNC(=O)c1cn[nH]c1 1330027330 ADXJZMPGSGRMCA-MRVPVSSYSA-N 277.288 -0.361 50 20 CBGD Cc1nnc(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)s1 1347804033 CHBRQCNTGVZZEJ-HTRCEHHLSA-N 284.341 -0.039 50 20 CBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)[C@H]1CCCCO1 1348695711 LGHKSAOLPGJGDL-IJLUTSLNSA-N 296.371 -0.909 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccc(C(=O)O)[nH]1 1574590841 WZUBYSSOSAPJCQ-UHFFFAOYSA-N 285.256 -0.863 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cccn(CC(=O)O)c1=O 1589908278 CCHPEHMPCWIUGL-UHFFFAOYSA-N 296.283 -0.761 50 20 CBGD CCO/C=C(/C#N)C(=O)N(CCOC)CC(=O)O 1596862169 NTLAZNHWLLUHKN-HJWRWDBZSA-N 256.258 -0.010 50 20 CBGD O=C(Cn1cc(C(=O)O)cn1)NNC(=O)C1CC1 1601379455 RVTOGKYUKKNMDM-UHFFFAOYSA-N 252.230 -0.861 50 20 CBGD C[C@H](C(=O)O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 1602803873 AYPZCKJWTINKBN-ZETCQYMHSA-N 294.263 -0.061 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@]1(C(=O)O)CCCO1 1603479600 GDWJNRZIFWNZNB-UBJUHAIHSA-N 286.284 -0.807 50 20 CBGD CC(C)C[C@@H](C(=O)O)N(C)C(=O)c1cccc(B(O)O)c1 1603832384 VZNZNFQBQKKDJR-LBPRGKRZSA-N 293.128 -0.062 50 20 CBGD COCCCNC(=O)NNC(=O)c1cnccn1 10364929 UHFHELIOYPGTFR-UHFFFAOYSA-N 253.262 -0.543 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@H]1CCCN1C 108929460 QTSHFTUBUQUGFA-SECBINFHSA-N 258.322 -0.553 50 20 CBGD COC[C@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 112985363 WHTLEUPOMIDKJV-JTQLQIEISA-N 269.345 -0.098 50 20 CBGD COCC(C)(C)C(=O)NNC(=O)C(=O)N1CCCC1 270132515 YCERSQMJLSFKRT-UHFFFAOYSA-N 271.317 -0.571 50 20 CBGD CC[C@@](C)(OC)C(=O)NNc1ccc(C(N)=O)nn1 281332940 AULPORWJGHQQFE-LLVKDONJSA-N 267.289 -0.166 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 293940290 PDOHVFAIMKOGQT-YUMQZZPRSA-N 273.289 -0.601 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)C[C@@H]1CCCO1 299701072 VFSRIVGKDZOFHL-VIFPVBQESA-N 295.295 -0.274 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CC(=O)N(C)C(=O)C1 491108911 YXDONHCMYUJVGS-BQYQJAHWSA-N 251.242 -0.742 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H](C)NC(=O)OC 494120245 PYRBEONPNRNKMV-ZETCQYMHSA-N 260.294 -0.139 50 20 CBGD CN1CCC(N(C)C(=O)c2ccc(B(O)O)c(F)c2)CC1 584922901 APWHSWLXOREZIY-UHFFFAOYSA-N 294.135 -0.328 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCN(CC2CC2)CC1 584933195 XXNXTUOYYVDRAK-UHFFFAOYSA-N 288.156 -0.466 50 20 CBGD CC[C@@H](C[C@H](C)CO)NC(=O)c1cccc(B(O)O)c1 584962511 HVMQQMIUXVONHH-GWCFXTLKSA-N 279.145 -0.107 50 20 CBGD O=C(N[C@@H]1CCCc2c[nH]nc21)c1ccc(B(O)O)cc1 584963546 VCFBRPGMNHZMNC-GFCCVEGCSA-N 285.112 -0.103 50 20 CBGD CC(C)(CCO)NC(=O)c1ccc(B(O)O)c(F)c1 584967978 PSQYLFXDRSXSPQ-UHFFFAOYSA-N 269.081 -0.604 50 20 CBGD C[C@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)[C@@H]1CO 584971125 XRPLCHUHUMMECW-TVQRCGJNSA-N 295.119 -0.262 50 20 CBGD O=C(N[C@@H](CO)C1CCCC1)c1ccc(B(O)O)c(F)c1 584990797 KVZZBUJVWWOCRJ-ZDUSSCGKSA-N 295.119 -0.214 50 20 CBGD CC1(C)C[C@]1(C#N)NC(=O)c1cc(B(O)O)ccc1F 584990985 PWCKGMXUOKICEZ-CYBMUJFWSA-N 276.076 -0.072 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCN(C3CC3)C2)cc1 585022607 SJILUQIDHAJTNQ-CYBMUJFWSA-N 260.146 -0.307 50 20 CBGD Cc1ccc2cccnc2c1S(=O)(=O)NCB(O)O 585059289 HXFBDWHDXJHGBR-UHFFFAOYSA-N 280.114 -0.166 50 20 CBGD O=C(NCB(O)O)[C@H]1CCN(c2cccc(Cl)c2)C1=O 585060793 YRZPSDXLAIKLEV-SNVBAGLBSA-N 296.519 -0.179 50 20 CBGD NNC(=O)CNS(=O)(=O)c1c(F)cccc1F 731450341 GJDURCDCHOHMDE-UHFFFAOYSA-N 265.241 -0.767 50 20 CBGD CCCNC(=O)NNS(=O)(=O)c1ccc(C(=O)O)o1 737028625 MHUMHWNBLIJWOT-UHFFFAOYSA-N 291.285 -0.120 50 20 CBGD O=C(CC1CCC1)NNC(=O)[C@H]1CCS(=O)(=O)C1 742491331 SZVOYAKDHAUKPS-VIFPVBQESA-N 274.342 -0.241 50 20 CBGD O=C(CO)NNC(=O)Nc1ncn(Cc2ccccc2)n1 756237473 IYPRNHIRQDDPOI-UHFFFAOYSA-N 290.283 -0.529 50 20 CBGD COCCO[C@H](C)C(=O)NN=C1CCN(C)C1=O 761809410 DKTSIUQTFVBFKK-MRVPVSSYSA-N 257.290 -0.628 50 20 CBGD CCOC(=O)c1cnc(NNC(=O)CNC(N)=O)nc1C 778511236 OXRNFFZAEYYZBF-UHFFFAOYSA-N 296.287 -0.927 50 20 CBGD CCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)C(C)(C)O 787950562 NIGASWHLVZSQLT-VIFPVBQESA-N 285.344 -0.304 50 20 CBGD O=C(NNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccoc1 795844276 RSHDSKKXGGXSIV-UHFFFAOYSA-N 265.185 -0.014 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@](C)(C(=O)NC)C1 797525332 IPZIMSGJAQUHFY-RNCFNFMXSA-N 284.360 -0.610 50 20 CBGD C=CCNC(=S)NNC(=O)CCc1nc(C)no1 798304686 HJAGPQBDDZQLEH-UHFFFAOYSA-N 269.330 -0.008 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 798305669 ZPVFVPJBYABFEF-DTWKUNHWSA-N 284.385 -0.041 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CCC[C@H](C(N)=O)C1 798305670 ZPVFVPJBYABFEF-IUCAKERBSA-N 284.385 -0.041 50 20 CBGD CN(C)CC(=O)NNC(=O)C1CCN(CC(F)F)CC1 806771789 WAZQEIJWIVTSMC-UHFFFAOYSA-N 292.330 -0.328 50 20 CBGD COC(C)(C)CC(=O)NNC(=O)N1CCN(C)CC1 807384027 VRNMDGLSSYDLOL-UHFFFAOYSA-N 272.349 -0.210 50 20 CBGD CCN(CCO)NC(=O)CCc1cc(OC)no1 823897403 AGTZDBJCOPSSAN-UHFFFAOYSA-N 257.290 -0.039 50 20 CBGD C[C@H](CO)N(C)NC(=O)C(C)(C)N1CCOCC1 823928574 OYMWZDHPJYNTEQ-SNVBAGLBSA-N 259.350 -0.559 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H]1COCCO1 825737978 RYVNELMJFKPYMK-GUBZILKMSA-N 287.316 -0.843 50 20 CBGD CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1C 826067237 FNIDUSJTAFWDRU-UHFFFAOYSA-N 275.272 -0.251 50 20 CBGD CNc1nnc(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)s1 843970533 HOWQNPWTIRFALG-RQJHMYQMSA-N 299.356 -0.305 50 20 CBGD O=C(NNc1nccnc1Cl)[C@@H]1CCS(=O)(=O)N1 846635460 UIGCECAOUXLWKQ-YFKPBYRVSA-N 291.720 -0.735 50 20 CBGD C#CC[C@H](CO)NC(=O)/C(C#N)=C/c1cnn(C)c1 854542190 PEXLGZCXDUXKTC-JXDHDYMSSA-N 258.281 -0.173 50 20 CBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)c1cc[nH]n1 855357389 ICZJAUBIYMWJEB-ZCFIWIBFSA-N 254.246 -0.630 50 20 CBGD CCCN1C[C@H](C(=O)NNc2cnnn2C)CC1=O 857270719 MBEFZQFMYOXUNK-MRVPVSSYSA-N 266.305 -0.483 50 20 CBGD CN(CC(=O)NNc1ncc(F)cc1F)S(C)(=O)=O 857532599 RVLYHIGJNNAOHX-UHFFFAOYSA-N 294.283 -0.306 50 20 CBGD C[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC[C@H]1C 858696539 MWWUTIGNGWGYTQ-BBBLOLIVSA-N 282.344 -0.016 50 20 CBGD CC1=CCCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858699990 BUWCERVPCAWEII-VIFPVBQESA-N 266.301 -0.342 50 20 CBGD COC1CC(C(=O)NNC(=O)Cc2cc[nH]n2)C1 859252236 LDTCBAVVWSRLTB-UHFFFAOYSA-N 252.274 -0.475 50 20 CBGD C[C@@H]1CCCN(C(=O)C(=O)NNC(=O)c2cn[nH]c2)C1 862470578 ICXKSMNAXVHJAG-MRVPVSSYSA-N 279.300 -0.571 50 20 CBGD COc1cccc(C=NNC(=O)CS(C)(=O)=O)c1O 863188638 IBUFINQXJADWOM-UHFFFAOYSA-N 286.309 -0.105 50 20 CBGD CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NNC(=O)CO 863903734 RSVRYNYCZPYWLM-MRVPVSSYSA-N 289.332 -0.228 50 20 CBGD COCc1nn(C)cc1C(=O)NNC(=O)[C@H]1CCCCO1 891256054 DVSIUXWFCJLCNI-LLVKDONJSA-N 296.327 -0.103 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)C1(n2cnnn2)CC1 899999660 RPBBURQEUQXXFM-UHFFFAOYSA-N 283.361 -0.544 50 20 CBGD C[C@@H](O)CN(C)NC(=O)COCc1ccccn1 910147136 JTWRJOVRQKIXQR-SNVBAGLBSA-N 253.302 -0.058 50 20 CBGD C=CC(=O)N(CC)CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 911502462 HIBZCQVJHKDAPM-VHSXEESVSA-N 283.328 -0.407 50 20 CBGD COCCOCC(=O)NNC(=O)c1ncccc1N(C)C 913432928 APGLIKWMMNWDSH-UHFFFAOYSA-N 296.327 -0.428 50 20 CBGD Cn1cc(/C=C/C(=O)NNC(=O)CN2CCCC2=O)cn1 913730464 WGIDZDMOZVMIIN-SNAWJCMRSA-N 291.311 -0.797 50 20 CBGD C[C@@H](CC(=O)NNC(=O)CN1CCCC1=O)n1ccnc1 913733278 CRGNDDXBYYXMIK-JTQLQIEISA-N 293.327 -0.396 50 20 CBGD CC(C)(C)NCCC(=O)NNC(=O)N1CCOCC1 931114765 XMUUGWHBBFTSMU-UHFFFAOYSA-N 272.349 -0.162 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cn(C2CCOCC2)nn1 1119105572 SDZMHLQEZKIQBD-VIFPVBQESA-N 283.332 -0.413 50 20 CBGD CO[C@H]1CCC[C@H]1C(=O)NNC(=O)c1cnn(C)c1 1121034748 FSJABFAEUCZKIN-ZJUUUORDSA-N 266.301 -0.004 50 20 CBGD N#CCSCC(=O)NNC(=O)CNC(=O)c1ccco1 1318136507 UAXAJMWLDGLKSV-UHFFFAOYSA-N 296.308 -0.586 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H](C)N2C(=O)CCC2=O)n[nH]1 1319820393 CLSLBPKJDBFKNE-ZETCQYMHSA-N 293.283 -0.983 50 20 CBGD COc1ncncc1NC(=O)C(=O)NNc1ccccn1 1320174462 MZKKIQCFGASVQC-UHFFFAOYSA-N 288.267 -0.038 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccncn1 1326768085 ZXUARKGTFINUHD-SCZZXKLOSA-N 279.300 -0.268 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)C1(CO)CCOCC1 1328342683 NNJQBJWJMAOFMR-UHFFFAOYSA-N 284.234 -0.125 50 20 CBGD CN(C)CCCNC(=O)NNC(=O)c1cnn(C)c1 1328752274 UGAPJLMJCYVBKV-UHFFFAOYSA-N 268.321 -0.684 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CCc2nncn2C1 1336010886 KQSWBSUWQQRVED-SECBINFHSA-N 253.306 -0.814 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1nncn1C 1346001072 FKSFWPIKTXGLBX-XHNCKOQMSA-N 296.331 -0.369 50 20 CBGD C[C@H](CC(=O)N1CC[C@H](B(O)O)C1)n1ccnc1 1348489789 CRBAFECTXVVMCT-ZJUUUORDSA-N 251.095 -0.091 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)[C@H](OC)C(=O)O 1574236684 FBTLUPADBLRCAI-NSHDSACASA-N 296.279 -0.515 50 20 CBGD CC[C@@H]1NCC[C@H]1C(=O)NNC(=O)CN1CCCC1=O 1577307696 GRWIGJMGQVOAAW-ZJUUUORDSA-N 282.344 -0.856 50 20 CBGD C[C@@H]1CNC[C@H]1CC(=O)NNC(=O)N1CCN(C)CC1 1579450904 LQSFUEQMOLUMPJ-GHMZBOCLSA-N 283.376 -0.780 50 20 CBGD O=C(NNC(=O)C1(O)Cc2ccccc2C1)[C@@H]1CCN1 1580733533 XIHHCMQDRJRKCN-NSHDSACASA-N 275.308 -0.974 50 20 CBGD CCN(CCO)NC(=O)c1ccc(C(=O)O)nc1 1589733649 DXGBQMGIJSTHAP-UHFFFAOYSA-N 253.258 -0.261 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)O)O2)nc1O 1600798376 HKRHGAWOTFRYMO-QPPQHZFASA-N 297.271 -0.793 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cc(C(=O)O)co1 1601354806 PRKNACBDONKVIH-UHFFFAOYSA-N 278.224 -0.295 50 20 CBGD O=C(O)CCCNC(=O)NNC(=O)c1cccnn1 1601991725 MQTFOGGSVSGPBH-UHFFFAOYSA-N 267.245 -0.715 50 20 CBGD O=C(NNC(=O)[C@@]1(C(=O)O)CCCO1)[C@@H]1CCCS1 1605814589 IQZHMQFSQHNEIY-WRWORJQWSA-N 288.325 -0.337 50 20 CBGD O=C(Cc1ccccn1)NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1608368228 JVWJGJKUYKHRQQ-ZJUUUORDSA-N 293.279 -0.596 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@@H](CC(=O)O)C1CC1 1609881495 LXIRMBHDCZSFNT-APPZFPTMSA-N 271.317 -0.225 50 20 CBGD O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1COCCO1 47954351 FQTHZKKXGPWUBP-LLVKDONJSA-N 282.271 -0.069 50 20 CBGD O=C(NCc1ccccc1)NNC(=O)C(=O)NC1CC1 48425308 ZTLJRSOXWOAUMD-UHFFFAOYSA-N 276.296 -0.204 50 20 CBGD Cc1cc(C(=O)NNC(=O)Cn2cc(C3CC3)nn2)[nH]n1 153311899 FVNRQJAKGWIWLR-UHFFFAOYSA-N 289.299 -0.352 50 20 CBGD CC1(C)OC[C@H](COc2ccc(B(O)O)cc2)O1 202020740 KVYNGBVECZXYDJ-NSHDSACASA-N 252.075 -0.103 50 20 CBGD N#Cc1cc(C(=O)NNC(=O)[C@@H]2CCCO2)ccn1 292144712 MVOAVMSPKQZSCS-JTQLQIEISA-N 260.253 -0.107 50 20 CBGD CCOC(=O)NNC(=O)[C@@H]1CCCCS1(=O)=O 497085471 UMCRQWZQCQQSHZ-ZETCQYMHSA-N 264.303 -0.269 50 20 CBGD C[C@@H]1CN(C)CCN1C(=O)c1ccc(B(O)O)cc1 584941556 KVUUAEFPVMLHMC-SNVBAGLBSA-N 262.118 -0.858 50 20 CBGD CN(C(=O)c1cccc(B(O)O)c1)C1CCOCC1 584955608 RULSGCZOIMRDRH-UHFFFAOYSA-N 263.102 -0.383 50 20 CBGD C[C@H](CO)CN(C)C(=O)c1ccc(B(O)O)c(F)c1 584968591 YZZOCUGFBTVPTK-QMMMGPOBSA-N 269.081 -0.794 50 20 CBGD O=C(N[C@H]1C[C@@H]1C(F)F)c1ccc(B(O)O)c(F)c1 584989711 IJGFGFHPJBHZRB-RCOVLWMOSA-N 273.019 -0.111 50 20 CBGD O=C(NC[C@H](CO)CC1CC1)c1cc(B(O)O)ccc1F 585006611 XSNCYBDSKXMWPZ-SNVBAGLBSA-N 295.119 -0.356 50 20 CBGD CN(CC1(C)COC1)C(=O)c1ccc(B(O)O)cc1 585010848 YSMXNBKTFNTQPJ-UHFFFAOYSA-N 263.102 -0.525 50 20 CBGD C[C@H]1COCCN1C[C@@H](C)NCc1ccccc1B(O)O 585021411 KEIHWVMFONLRPK-OLZOCXBDSA-N 292.188 -0.435 50 20 CBGD Cn1cc([C@@H](O)CNCc2ccc(B(O)O)cc2F)cn1 585026338 LXBWUTNVXGAZNR-ZDUSSCGKSA-N 293.107 -0.938 50 20 CBGD C[C@H](CCN1CCOCC1)NCc1ccccc1B(O)O 585032385 GYACKAPEACMTTA-CYBMUJFWSA-N 292.188 -0.433 50 20 CBGD CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCB(O)O 585059671 WNYIGGXVZPWZPS-SSDOTTSWSA-N 274.151 -0.938 50 20 CBGD CCC(=O)N1CCCC[C@H]1C(=O)N1CC[C@H](B(O)O)C1 585071871 CFYCQQOEVSANPX-QWRGUYRKSA-N 282.149 -0.147 50 20 CBGD Cn1cccc1C(=O)NNC(=O)C1(C(=O)NC2CC2)CC1 726157482 VTHUHHFOHSWVMN-UHFFFAOYSA-N 290.323 -0.155 50 20 CBGD CN(C)CC(=O)NNC(=O)CSC[C@@H]1CCCCO1 733359904 VECSALRMGGYRGP-JTQLQIEISA-N 289.401 -0.002 50 20 CBGD O=C(NNS(=O)(=O)C[C@@H]1CCCO1)c1ccc[nH]1 735646422 QLMUIFKKJLJWOC-QMMMGPOBSA-N 273.314 -0.242 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCCOC1 740853040 SIKXNXGHDFRFNH-SECBINFHSA-N 285.344 -0.135 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccc(N2CCOC2=O)cc1 748579648 PWAZGKLTZXJOPG-UHFFFAOYSA-N 290.279 -0.031 50 20 CBGD CNS(=O)(=O)c1cc(C(=O)NNC(C)=O)ccc1F 752519663 BRRFJNODFDTJPP-UHFFFAOYSA-N 289.288 -0.485 50 20 CBGD CCC(CC)NC(=O)C(=O)NN=Cc1cn(C)nn1 755745462 WCRKUQIXJGYOPF-UHFFFAOYSA-N 266.305 -0.430 50 20 CBGD NC(=O)[C@@H]1CC[C@H](CNC(=O)NNc2ccc(F)cn2)O1 759777801 XCLRSMGFAHQNLB-BDAKNGLRSA-N 297.290 -0.120 50 20 CBGD CC(C)S(=O)(=O)CC(=O)NNc1ncc(F)cn1 760909126 XWMBGYZIHOZYFV-UHFFFAOYSA-N 276.293 -0.118 50 20 CBGD O=C(NN=C1CCN2CCC[C@H]12)[C@H]1CCS(=O)(=O)C1 765565207 RNNREGVCZJTPNK-GXSJLCMTSA-N 285.369 -0.239 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cccc(F)c1C#N 777773999 PDOWAEMWNDNSHY-UHFFFAOYSA-N 292.270 -0.017 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1cnn(C)c1N 777795744 GJRGPDWPUWEXOG-UHFFFAOYSA-N 262.273 -0.584 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)N2CCN(C)CC2)CCO1 807383341 VQMQQOKLWGPLBW-GHMZBOCLSA-N 284.360 -0.210 50 20 CBGD COCCN(C)NC(=O)c1c([N+](=O)[O-])c(C)nn1C 808073695 JGJUEZXIDBQXHK-UHFFFAOYSA-N 271.277 -0.140 50 20 CBGD C=CCNC(=S)NNC(=O)c1cc2n(n1)CCO2 810548542 ABXIGPQZDXWODD-UHFFFAOYSA-N 267.314 -0.430 50 20 CBGD COCC[C@H]1COCCN1CC(=O)NNC(=O)C1CC1 812888421 YCVQQJGIFAPAMV-NSHDSACASA-N 285.344 -0.719 50 20 CBGD CC1(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)COC1 814781983 HWZOPZIYCWSACO-QMMMGPOBSA-N 260.315 -0.440 50 20 CBGD Cn1nncc1NNC(=O)[C@@H]1CCCN1C1CC1 816769195 XRVSAFAHTWEHLX-VIFPVBQESA-N 250.306 -0.115 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)CN1CCCC1 820549765 RABPYBLSBLZHNL-UHFFFAOYSA-N 262.313 -0.133 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@@H]1CCNC1=O 827006073 LXHFBRQCMKKCKG-SECBINFHSA-N 277.280 -0.408 50 20 CBGD Cc1cc(NNC(=O)[C@@H]2CN3CCCN2CC3)nc(N)n1 828371309 HZRXEISVCDMHMX-JTQLQIEISA-N 291.359 -0.800 50 20 CBGD CCOC(=O)c1cc(C=NNC(=O)C(C)(C)O)[nH]n1 842531319 JJLXUZYSTBEXFE-UHFFFAOYSA-N 268.273 -0.193 50 20 CBGD CC(C)c1nnnn1CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843656087 XGEGNNLJAHZUCW-DTWKUNHWSA-N 296.331 -0.631 50 20 CBGD COC(=O)N(C)CCNC(=O)NNC(=O)C(C)C 852662774 TXEJKJLSLJRLCR-UHFFFAOYSA-N 260.294 -0.329 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@H]1CCCN1C=O)C1CC1 855095287 KKLZBKYENHXJHY-PSASIEDQSA-N 284.385 -0.099 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCC2CCC2)N1 858137444 QOHPMIIOVXXCFF-MRVPVSSYSA-N 254.290 -0.605 50 20 CBGD CC/C=C\CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858511385 YMUQAYOXTUSQSW-VEMNSZJBSA-N 254.290 -0.438 50 20 CBGD CCc1c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccn1C 862462718 QXOIGBOILNRNJJ-VIFPVBQESA-N 278.312 -0.373 50 20 CBGD CC(COC(C)C)=NNC(=O)CS(C)(=O)=O 863187047 VXLYUPYDWHAAST-UHFFFAOYSA-N 250.320 -0.052 50 20 CBGD O=C(NOC[C@H]1CCOC1)c1cc(B(O)O)ccc1F 863880204 QSSZANFDDVUVSJ-QMMMGPOBSA-N 283.064 -0.797 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cn(C)nc1-c1cnn(C)c1 910160194 MBADAPRCLRHWHF-VIFPVBQESA-N 292.343 -0.222 50 20 CBGD CCN(CC)C(=O)CCC(=O)NN(C)C[C@@H](C)O 910165696 KCUKMVOYJZTASC-SNVBAGLBSA-N 259.350 -0.021 50 20 CBGD C[C@H](O)CN(C)NC(=O)CCNC(=O)c1ccco1 910181468 TVEUFMWXPUUSBI-VIFPVBQESA-N 269.301 -0.257 50 20 CBGD CCS(=O)(=O)/C(C#N)=C/c1cn(C)c(=O)n(C)c1=O 1116719820 RYSIDQOGPUDFCT-WEVVVXLNSA-N 283.309 -0.617 50 20 CBGD O=C(NN=Cc1ccccn1)N[C@@H]1CCS(=O)(=O)C1 1318011069 LBUNOLUMDAKMNZ-SNVBAGLBSA-N 282.325 -0.098 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)N(C)C)nc1 1320705003 JGFNHSAWDMBBMF-UHFFFAOYSA-N 266.257 -0.216 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)n1cc(COC)nn1 1334412298 NDJGJQQWEZLKIU-SSDOTTSWSA-N 255.278 -0.457 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cnc(C2CC2)[nH]1 1340272555 FKIOSSTUETTWBR-UHFFFAOYSA-N 279.300 -0.026 50 20 CBGD Cn1cc(C=NNC(=O)CO)c(-c2cccnc2)n1 1341835848 BYOSNYWHALADAG-UHFFFAOYSA-N 259.269 -0.076 50 20 CBGD O=C(NNC(=O)[C@H]1CCN1)c1ccncc1Br 1580735915 HPSRBKWJABDGFW-MRVPVSSYSA-N 299.128 -0.033 50 20 CBGD CC1(C)C[C@]1(C(=O)O)C(=O)NNC(=O)c1cnsn1 1589220194 XONWUBJMHFDLJX-SNVBAGLBSA-N 284.297 -0.200 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cscc1-c1nn[nH]n1 1589882687 QVGJQUHPJFGCGF-LURJTMIESA-N 282.329 -0.114 50 20 CBGD O=C(NNC(=O)[C@@H](C(=O)O)C1CC1)c1cc[nH]n1 1594779019 IMBBRNVSHMQCLD-ZETCQYMHSA-N 252.230 -0.719 50 20 CBGD O=C(NC[C@@H]1C[C@@H]2CCC[C@H]2O1)NNC(=O)C(=O)O 1601478881 NBEAROIDXSMKPF-BIIVOSGPSA-N 271.273 -0.641 50 20 CBGD O=C(NNc1nc[nH]n1)c1ccc(-c2nn[nH]n2)cn1 1609560138 XEMALUYGKYIWAN-UHFFFAOYSA-N 272.232 -0.863 50 20 CBGD O=C(O)[C@@]12CCOC[C@@H]1CN(S(=O)(=O)CCl)C2 1610804094 HWQROZKQTDKNJN-IONNQARKSA-N 283.733 -0.064 50 20 CBGD COc1ccnc(NNC(=O)Cn2cccnc2=O)n1 25124411 OQPWOVSAJBTXLR-UHFFFAOYSA-N 276.256 -0.815 50 20 CBGD CCNC(=O)NNC(=O)c1cnc2sccn2c1=O 49165596 MNOWHCGMJVGPAU-UHFFFAOYSA-N 281.297 -0.280 50 20 CBGD NC(=O)CC[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 112979711 IWQCCWGGRQRSKS-JTQLQIEISA-N 296.371 -0.479 50 20 CBGD CN(C)CC(=O)NNC(=O)CN(C)[C@@H]1CCSC1 131867758 OZDGPKIIWDIVIH-SECBINFHSA-N 274.390 -0.867 50 20 CBGD CNCC(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 237249834 LTBZZUIGZAMFFC-UHFFFAOYSA-N 298.368 -0.210 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCCO1 265860125 GHHXZNXNTIEYOT-VIFPVBQESA-N 271.317 -0.382 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C1(O)CCC1 274748387 UTPPXIXZKNDZAZ-UHFFFAOYSA-N 271.317 -0.646 50 20 CBGD CNc1ccc(C(=O)NNC(=O)CN(C)C)cn1 287536628 GPAYTRKEISHDDP-UHFFFAOYSA-N 251.290 -0.554 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccncn2)O1 293979123 SRRSAVUWZHBUJX-CBAPKCEASA-N 250.258 -0.195 50 20 CBGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)CC2CC2)c1C 294243599 SJICDKDSZYAYFG-UHFFFAOYSA-N 278.312 -0.042 50 20 CBGD C[C@@H]1CC(=O)N[C@H](C(=O)NNC(=O)NC2CC2)C1 294310618 XKSMKOZMMGHEQC-XPUUQOCRSA-N 254.290 -0.606 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccc(OC)nc1C 495447372 FWQNNXVYYONSFH-UHFFFAOYSA-N 282.256 -0.276 50 20 CBGD COC(=O)NNC(=O)CNC(=O)c1cccc(O)c1 495548505 LSAFEYJFBHDZOH-UHFFFAOYSA-N 267.241 -0.491 50 20 CBGD C[C@@]1(CO)CCCN1C(=O)c1cc(B(O)O)ccc1F 584973360 AZTRJSUEVPQVHD-ZDUSSCGKSA-N 281.092 -0.508 50 20 CBGD O=C(NCCOC(F)(F)F)c1cc(B(O)O)ccc1F 584980361 XKETVDCHQTZPBE-UHFFFAOYSA-N 294.997 -0.228 50 20 CBGD CC[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(C)(C)O 584994450 JNYSYONOSFAOTB-LLVKDONJSA-N 265.118 -0.354 50 20 CBGD OC[C@H](CNCc1ccc(B(O)O)o1)Cc1ccco1 585028217 HAVJIDJZXPFPBA-JTQLQIEISA-N 279.101 -0.507 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCc3c[nH]nc3C2)cc1 585030600 HKWRKCVSTYSJJF-ZDUSSCGKSA-N 271.129 -0.263 50 20 CBGD OB(O)c1ccc(CNC[C@H]2CCn3ccnc3C2)o1 585039845 ZAWLPSCCAAQOFF-JTQLQIEISA-N 275.117 -0.492 50 20 CBGD O=C1[C@H](NCc2ccc(B(O)O)o2)C[C@@H]2CCCCN12 585044415 IDRXJRZZGBOSQX-GXSJLCMTSA-N 278.117 -0.798 50 20 CBGD C[C@@](CO)(CCF)NCc1cccc(B(O)O)c1 585050438 YTUBAYMYXLXODV-LBPRGKRZSA-N 255.098 -0.433 50 20 CBGD COCC(C)=NNC(=O)[C@H](C)NS(C)(=O)=O 728434855 RAMXQOMUTPFWGJ-ZETCQYMHSA-N 251.308 -0.937 50 20 CBGD O=C(NC[C@H]1CN2CCC[C@@H]2CO1)NNC(=O)C1CCC1 732245708 FKWOVDCYBPYDKD-NEPJUHHUSA-N 296.371 -0.020 50 20 CBGD C=CCNC(=S)NNC(=O)C(=O)N1CCCC1 748157287 KXYTZKIPSJHCOL-UHFFFAOYSA-N 256.331 -0.710 50 20 CBGD Cc1nc2ccc(C(=O)NNC(=O)CO)cc2nc1C 753453167 ZAPGMPMTRZRFGA-UHFFFAOYSA-N 274.280 0.000 50 20 CBGD Cc1cc(NC(=O)NNC(=O)CO)nn1CCC#N 757829743 DZXBEHOAGOVVOU-UHFFFAOYSA-N 266.261 -0.750 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CCS(=O)(=O)CC 759374242 MJBICLDDFOWTEI-SECBINFHSA-N 293.389 -0.701 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@H]2COCCO2)nc1 759729320 HUIMFTUTEQFWOW-SECBINFHSA-N 281.268 -0.273 50 20 CBGD CC[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@H]1O 761123182 KRNMGFRLXZPUQL-VHSXEESVSA-N 271.361 -0.117 50 20 CBGD COc1nccnc1NNC(=O)[C@H]1CCN(C)C(=O)C1 764482176 TYHPEDNCIQWWHQ-QMMMGPOBSA-N 279.300 -0.203 50 20 CBGD COC[C@H](C)n1ccc(NC(=O)NNC(=O)CN(C)C)n1 779932933 WYVQACLJSYTWCF-VIFPVBQESA-N 298.347 -0.195 50 20 CBGD COCCNC(=O)NNC(=O)c1cccc(F)n1 783576371 ULPWOSQJXMMWIQ-UHFFFAOYSA-N 256.237 -0.189 50 20 CBGD CC(C)NC(=O)NNC(=O)c1cc2n(n1)CCO2 810592490 MZGNECMWYZWMGR-UHFFFAOYSA-N 253.262 -0.372 50 20 CBGD CC(=NNC(=O)CO)c1ccc(-c2nn[nH]n2)cc1 823948053 CCQHUOUQDXAHLH-UHFFFAOYSA-N 260.257 -0.301 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@@H](O)C1)c1cccc(F)n1 824751963 AVVXRXOKKDIHCE-KNVOCYPGSA-N 253.233 -0.247 50 20 CBGD CCCS(=O)(=O)CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843648623 RGHCQMNFFTWMHO-RKDXNWHRSA-N 292.357 -0.616 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2nnnn2c1 843652293 IYDQLNAGMPOLMK-IONNQARKSA-N 290.283 -0.690 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843972423 GWNUTWQJJRJESX-TUAOUCFPSA-N 279.340 -0.344 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1ccn(CC)n1 845290190 JYGJISBZGWTHDT-SECBINFHSA-N 296.327 -0.065 50 20 CBGD CN(C)c1nc(N)nc(C(=O)NNC(=O)C(C)(C)C)n1 846632456 YSRFKNVKPQWAIL-UHFFFAOYSA-N 281.320 -0.673 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2CC[C@H]2C(N)=O)n1 848020046 HICSUOUPURCHQV-RKDXNWHRSA-N 276.296 -0.337 50 20 CBGD COC(=O)N(C)CCNC(=O)NNc1ncncc1F 852658049 RMYGVXDQFMXROI-UHFFFAOYSA-N 286.267 -0.060 50 20 CBGD COC(=O)c1cccc(NNC(=O)Cn2cnnn2)c1C 855628526 YTDXZXLULUQAFW-UHFFFAOYSA-N 290.283 -0.089 50 20 CBGD COc1cccc([C@H](OC)C(=O)NNC(=O)CO)c1 857170922 VIUKXSAWIIWFAZ-NSHDSACASA-N 268.269 -0.478 50 20 CBGD C=C(CC)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858524806 SZIKIZUIAWMGLZ-QMMMGPOBSA-N 254.290 -0.438 50 20 CBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNc2ncccc2F)O1 861661655 HDDBVZJUPZCJEX-JGVFFNPUSA-N 268.248 -0.303 50 20 CBGD COC(=O)[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C(C)C 863869438 NJROYYVYLUHWLT-NSHDSACASA-N 297.091 -0.567 50 20 CBGD CC1(C)C[C@@H](NC(=O)c2cccc(B(O)O)c2)C(=O)O1 863877939 LJMVLQUUSTZIPH-SNVBAGLBSA-N 277.085 -0.810 50 20 CBGD CC[C@]1(C(=O)NNC(=O)C2CCC2)CCNC1=O 865703802 LEGKDYPIMVSPQF-LBPRGKRZSA-N 253.302 -0.150 50 20 CBGD CCN1CC[C@@H](NC(=O)NNc2ccncn2)C1=O 868838498 GYGMMCQZKVFYNP-MRVPVSSYSA-N 264.289 -0.277 50 20 CBGD C[C@H]1C[C@H](C(=O)NNC(=O)c2cccnn2)CO1 882057553 YGCSAFGOVCWTLA-YUMQZZPRSA-N 250.258 -0.337 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@@H]2CSCC(=O)N2)n1 895275559 IADXZZATJBZJJY-ZETCQYMHSA-N 296.356 -0.783 50 20 CBGD CC[C@H](C(=O)NNC(=O)c1ccnnc1)N(C)C 911205248 JBZNZFVTVIRADE-SECBINFHSA-N 251.290 -0.422 50 20 CBGD Cc1cnn(CC(=O)NNC(=O)Cn2nc(C)cc2C)c1 918689817 CKXVTCZMITZOET-UHFFFAOYSA-N 290.327 -0.148 50 20 CBGD O=C(N[C@@H](CO)C[C@H]1CCCO1)c1ccc(B(O)O)cc1 923751283 ZIWODDCOBWINTR-CHWSQXEVSA-N 293.128 -0.974 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cccc2c1OCC2 929444661 KCRQHEVEAGCMKJ-UHFFFAOYSA-N 291.307 -0.093 50 20 CBGD O=C(CCO)NN=Cc1cnc(N2CCCC2)nc1 1116199883 PCRZSEIIYDXJBD-UHFFFAOYSA-N 263.301 -0.091 50 20 CBGD NC(=O)[C@H](NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 1118952090 RCOLCGZATXBWEH-GXSJLCMTSA-N 276.296 -0.888 50 20 CBGD CN(C)C(=O)CCNC(=O)NNC(=O)Cc1cccnc1 1252748922 SAAPRVAGSGITMA-UHFFFAOYSA-N 293.327 -0.567 50 20 CBGD Cn1ncc(C(=O)NNC(=O)Cc2cccnc2)c1N 1254769603 WIJXDELSFULVNY-UHFFFAOYSA-N 274.284 -0.599 50 20 CBGD CCCNC(=O)NNC(=O)C1(S(C)(=O)=O)CC1 1256294025 WENYTDUUOMJMFQ-UHFFFAOYSA-N 263.319 -0.696 50 20 CBGD CCO[C@@H]1COCC[C@H]1NC(=O)NNC(=O)c1cn[nH]c1 1261790802 VVKAZORBVKFOIQ-NXEZZACHSA-N 297.315 -0.452 50 20 CBGD CC(=O)NC(C)(C)C(=O)NNC(=O)Cc1ccncc1 1318896901 MKKPBRNADYMAHF-UHFFFAOYSA-N 278.312 -0.314 50 20 CBGD CCN1CCC[C@@H]1CNC(=S)NNC(=O)C(=O)OC 1318912554 VAYRPXMSXFIDMO-MRVPVSSYSA-N 288.373 -0.861 50 20 CBGD O=C(CCO)NNC(=O)C(=O)Nc1cccc(Cl)n1 1323379325 MFQDJDAILYQLNQ-UHFFFAOYSA-N 286.675 -0.797 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cccc2c1COC2=O 1323449435 DPPCHOSFBWZZLQ-UHFFFAOYSA-N 291.263 -0.147 50 20 CBGD O=C(CCO)NNC(=O)Nc1cccc2c1COC2=O 1323737434 OHHBVOHOZZUNPJ-UHFFFAOYSA-N 279.252 -0.108 50 20 CBGD CN(C)c1ncc(C=NNC(=O)C(=O)NC2CC2)cn1 1324201775 KTKQTQWMRXZTNY-UHFFFAOYSA-N 276.300 -0.729 50 20 CBGD O=C(NNC(=O)c1cccc(O)c1O)C(=O)N1CCCC1 1326765389 CWAKIIMKDTYQEX-UHFFFAOYSA-N 293.279 -0.519 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc[n+]1[O-] 1328567435 DXXDSQOWCMLJDB-BDAKNGLRSA-N 265.269 -0.494 50 20 CBGD CCOCCONC(=O)NNC(=O)c1cn[nH]c1 1328714918 AJHBENIACLZBJB-UHFFFAOYSA-N 257.250 -0.678 50 20 CBGD Cc1nc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C)s1 1329172968 QNIQFULSCAPTEW-QMMMGPOBSA-N 296.352 -0.272 50 20 CBGD CC(C)c1nocc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1329531662 WIDSQDONVCTPDW-MRVPVSSYSA-N 280.284 -0.162 50 20 CBGD O=C(NNC(=S)NC1CC1)[C@H]1CCS(=O)(=O)C1 1337046238 BCMKRAFIOBUTLL-LURJTMIESA-N 277.371 -0.921 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)c1cnn(CCO)c1 1521671953 YCFMYXVOEMMDHJ-UHFFFAOYSA-N 280.206 -0.411 50 20 CBGD CO[C@H]1CN[C@](C)(C(=O)NNc2ncc(F)cn2)C1 1573961843 VFLUCDABMRIKNT-KCJUWKMLSA-N 269.280 -0.174 50 20 CBGD CCOC(=O)N1CCC(C(=O)NNC(=O)[C@@H]2CCN2)CC1 1577967861 YERXQCCYAIGJBK-JTQLQIEISA-N 298.343 -0.636 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CC[C@H]2C(=O)O)CC1 1593780689 DKPGEVWGKWALHV-RKDXNWHRSA-N 284.316 -0.915 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H]1C[C@H]1C(=O)O 1594644080 LCDCDNAQENPBQX-FNCVBFRFSA-N 285.300 -0.538 50 20 CBGD COC(=O)NNS(=O)(=O)c1cncc(C(=O)O)c1 1606496386 ZLEYIPALQXOACH-UHFFFAOYSA-N 275.242 -0.671 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)nc1 32260945 KRDVOFNSXVVIBJ-JTQLQIEISA-N 293.279 -0.192 50 20 CBGD CNC(=O)NNC(=O)CCn1cnc2ccccc2c1=O 56376785 INFJAVJQEVWMAT-UHFFFAOYSA-N 289.295 -0.253 50 20 CBGD CNC(=O)NNC(=O)c1ccc(C)c(S(C)(=O)=O)c1 56377239 KCAAYPGSYBLSIM-UHFFFAOYSA-N 285.325 -0.028 50 20 CBGD O=C(Cn1cc(C2CC2)nn1)NNC(=O)NCC1CC1 132820073 LKIUOFPWQRZDST-UHFFFAOYSA-N 278.316 -0.104 50 20 CBGD C[C@H](C(=O)NN(C)C(N)=O)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 272147867 FTOGWMBYFSQNBC-VGMNWLOBSA-N 296.327 -0.408 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CC(=O)N(CC)C1 272716720 YYIRSMOJTRIPJI-QMMMGPOBSA-N 256.306 -0.453 50 20 CBGD CC(=O)c1cc(C(=O)NNC(=O)C(C)(C)O)n(C)c1 276209179 GZAXADBPWJJZEJ-UHFFFAOYSA-N 267.285 -0.240 50 20 CBGD CC(C)[C@@H](O)C(=O)NNC(=O)COc1ccccc1O 285355066 DUSPARXBQRRWOI-GFCCVEGCSA-N 282.296 -0.065 50 20 CBGD CO/N=C/C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 289455909 XSYBUWYZBWBULF-ZVDULQEDSA-N 286.332 -0.735 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)[C@H](C)O 292691252 NEEOLECOBGWWGQ-QMMMGPOBSA-N 252.270 -0.234 50 20 CBGD Cn1ncc2c1C[C@H](C(=O)Nc1cccc(B(O)O)c1)CC2 584913924 MCUMABDHKBXODQ-SNVBAGLBSA-N 299.139 -0.157 50 20 CBGD COCCOCCCNC(=O)c1ccc(B(O)O)c(F)c1 584925752 NFXPOSAVGXZIPC-UHFFFAOYSA-N 299.107 -0.712 50 20 CBGD CN(C)CC1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584946367 RKYWGDARFMUVID-UHFFFAOYSA-N 290.172 -0.220 50 20 CBGD COC(C)(C)CNC(=O)c1cc(B(O)O)ccc1F 584956339 VXXOMANBPCCALY-UHFFFAOYSA-N 269.081 -0.340 50 20 CBGD CC[C@H](C)[C@H](CO)NC(=O)c1ccc(B(O)O)cc1 584968292 ACJZBLBMEHMZGA-CABZTGNLSA-N 265.118 -0.497 50 20 CBGD CN1CC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 584971296 OIVDZLTWZHIOPI-FZMZJTMJSA-N 288.156 -0.467 50 20 CBGD C[C@H]1[C@H](NC(=O)c2cccc(B(O)O)c2)CCCN1C 584975065 YFUCJEJGAFVGAQ-GXFFZTMASA-N 276.145 -0.421 50 20 CBGD COC[C@@]1(NC(=O)c2cc(B(O)O)ccc2F)CCOC1 584997992 NERUSXQKPYVUJL-ZDUSSCGKSA-N 297.091 -0.959 50 20 CBGD OB(O)c1cccc(CNCCOC[C@H]2CCCO2)c1 585030326 YWWMRJRCHNZGGT-CQSZACIVSA-N 279.145 -0.348 50 20 CBGD CN(C)c1nccc(CNCc2ccc(B(O)O)cc2)n1 585033316 AYPXROJKUCTIAV-UHFFFAOYSA-N 286.144 -0.488 50 20 CBGD OC[C@H](CNCc1ccc(B(O)O)cc1)C1CCC1 585041047 SZCAOIVTMHAFFW-ZDUSSCGKSA-N 263.146 -0.135 50 20 CBGD CC1CCC(N2C[C@H](C(=O)NCB(O)O)CC2=O)CC1 585060822 ZMAMYHVBKZWBOW-HSOILSAZSA-N 282.149 -0.458 50 20 CBGD COc1ccccc1C(=O)NNC(=O)Cn1cncn1 731492931 MNRVDILFQKANFL-UHFFFAOYSA-N 275.268 -0.252 50 20 CBGD COCCNC(=S)NNC(=O)[C@@H](C)OCCOC 734025741 DKKRQPAFFPHSIN-MRVPVSSYSA-N 279.362 -0.820 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H](C)OCCOC 734026462 RWNCNCFBLGOQLQ-QMMMGPOBSA-N 261.347 -0.281 50 20 CBGD CCNC(=O)NNC(=O)[C@]1(C)CCN(C(C)=O)C1 746839199 UOVQVAQARGIOIT-LLVKDONJSA-N 256.306 -0.405 50 20 CBGD CC[C@@H](C)OCC(=O)NNC(=O)C(=O)Nc1ccccn1 752087649 YMTKBLPWXWMEFF-SECBINFHSA-N 294.311 -0.017 50 20 CBGD CCC(=O)NNS(=O)(=O)CCOCCOC 754739135 AILRBJKWXYTKGT-UHFFFAOYSA-N 254.308 -0.990 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](C)C(C)(C)C 758040173 OJRTXGVGKINLRV-JGVFFNPUSA-N 293.389 -0.246 50 20 CBGD CC(C)c1ccccc1NC(=O)C(=O)NNC(=O)CO 764428960 NQZZACNOILSRIG-UHFFFAOYSA-N 279.296 -0.112 50 20 CBGD CCN(CC)CCSCC(=O)NNC(=O)C(C)(C)O 768246122 XFSYFEZRHFWDPB-UHFFFAOYSA-N 291.417 -0.020 50 20 CBGD CN1CCO[C@@H](C(=O)NNc2ncncc2Cl)C1 781820077 PUERKCHMLZBZPX-MRVPVSSYSA-N 271.708 -0.096 50 20 CBGD CC(C)(C#N)CNC(=O)NNC(=O)C(=O)N1CCCC1 781953844 OBENQYKICXCQRO-UHFFFAOYSA-N 281.316 -0.511 50 20 CBGD CNC(=O)NNC(=O)[C@@]1(O)CCc2ccccc2C1 785947846 FFVBRVPIEHINOY-CYBMUJFWSA-N 263.297 -0.133 50 20 CBGD CC(=O)CSCC(=O)NNC(=O)c1c[nH]nc1C 787333788 BWNRLIIYBFPKQE-UHFFFAOYSA-N 270.314 -0.199 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc2nnnn2c1 802033870 RLQDRKZFZRLJOU-UHFFFAOYSA-N 298.266 -0.592 50 20 CBGD CC(C)(O)C(=O)NN=C1CCCc2nc(N)ncc21 814908864 GXOHVNLMXXPVFW-UHFFFAOYSA-N 263.301 -0.014 50 20 CBGD CCN(CCO)NC(=O)c1ccc(-n2cnnn2)cc1 823838948 ZGSXEGLJAVHWHB-UHFFFAOYSA-N 276.300 -0.379 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cn(CC(=O)O)nn1 842551945 GPAUUNQKJJWDDV-IONNQARKSA-N 281.272 -0.762 50 20 CBGD Cc1ccnc(NNC(=O)[C@@H]2CCS(=O)(=O)N2)c1 846640372 XVPISFJSPIINLF-QMMMGPOBSA-N 270.314 -0.475 50 20 CBGD CO[C@H](C)CNC(=O)NNC(=O)Cc1ccncc1 852536532 WXDBYAQREIRMDB-SECBINFHSA-N 266.301 -0.011 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@H](O)C1CC1 854285791 PMMWTHYSJYMZMB-SECBINFHSA-N 275.374 -0.369 50 20 CBGD COCn1ccc(C(=O)NNC(=O)N2CCN(C)CC2)n1 854382914 PIJWTVLQNAMPPV-UHFFFAOYSA-N 296.331 -0.911 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@@]12CCOC2)c1cc[nH]n1 855356905 UKMFJYNZGBIPND-RDDDGLTNSA-N 250.258 -0.403 50 20 CBGD CN1C(=O)CN(CC(=O)NNc2ncccc2F)C1=O 861662285 RVRQUUSRMMIGSL-UHFFFAOYSA-N 281.247 -0.442 50 20 CBGD O=C(Cc1cc(F)ccc1F)NNC(=O)[C@@H]1CCC(=O)N1 862457054 ZYCPPJYSXZEHQY-JTQLQIEISA-N 297.261 -0.067 50 20 CBGD CCOC(=O)C(C)(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862457446 JQGNRZIUYKOXEA-SSDOTTSWSA-N 285.300 -0.998 50 20 CBGD C[C@@H]1CC(=NNC(=O)[C@H]2CCC(=O)N2)CN1C1CC1 863148666 HLIJNMYAJXXWLT-LDYMZIIASA-N 264.329 -0.006 50 20 CBGD CCC[C@@H](NNC(=O)[C@@H]1CCC(=O)N1)C(=O)OCC 863378702 JAVZPNJBSAKFBA-DTWKUNHWSA-N 271.317 -0.382 50 20 CBGD COC(=O)CCN(C(=O)c1cccc(B(O)O)c1)C(C)C 863872551 IJMICNIJOXTFEG-UHFFFAOYSA-N 293.128 -0.220 50 20 CBGD CCCN(CC(=O)OC)C(=O)c1ccc(B(O)O)cc1 863880310 VDVVSXYXWKGQGL-UHFFFAOYSA-N 279.101 -0.608 50 20 CBGD O=C(/C=C/CN1CCOCC1)NNc1cccnn1 867356433 UGGPOWFYZRNROB-DUXPYHPUSA-N 263.301 -0.192 50 20 CBGD COCCOCC(=O)NNC(=O)COC1(C)CCC1 869908443 NKIPTHQFONFWEX-UHFFFAOYSA-N 274.317 -0.244 50 20 CBGD CN(C)CC1(C(=O)NNC(=O)Cc2cc[nH]n2)CC1 874437043 CJUSUGBCIRPJFI-UHFFFAOYSA-N 265.317 -0.559 50 20 CBGD CO[C@H]1C[C@H](NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)C1 875906893 XGTFSKOHCLIRCI-FXPVBKGRSA-N 291.373 -0.455 50 20 CBGD C[C@@H](C(=O)NNc1nccc(N2CCOCC2)n1)N(C)C 879172686 NYKOQROOAPLTDU-JTQLQIEISA-N 294.359 -0.294 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)CS(=O)(=O)C1CC1 899998451 OOSJQUGJWWRNAN-UHFFFAOYSA-N 293.414 -0.143 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1nccnc1Cl 906447041 GMAKGYCDXNJQBM-UHFFFAOYSA-N 285.691 -0.183 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O 910170307 JPBQTQQAZJFMGS-BIIVOSGPSA-N 297.277 -0.213 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccc2c(c1)OCC(=O)N2 910178957 SFENFGRXVVTCFD-MRVPVSSYSA-N 279.296 -0.025 50 20 CBGD CN1CCCC[C@H]1C(=O)NNC(=O)CN1CCCC1=O 913730631 CGSFGXHADXKDHI-JTQLQIEISA-N 282.344 -0.760 50 20 CBGD O=C(NN=C[C@@H]1CCOC1)N[C@@H]1CCS(=O)(=O)C1 1115892708 ISAYCNCIHZVHSD-DTWKUNHWSA-N 275.330 -0.505 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CCCN(C(N)=O)C1 1317708169 AKXAAGAICCORHZ-MRVPVSSYSA-N 285.373 -0.542 50 20 CBGD CCNC(=O)NNC(=O)[C@H](C)CS(C)(=O)=O 1318883290 GVYMRSYZATXOQK-ZCFIWIBFSA-N 251.308 -0.983 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCc1cccnc1 1322254996 XMDGGQLQHOOXEI-UHFFFAOYSA-N 266.257 -0.873 50 20 CBGD O=C1C[C@H](C(=O)NNc2ncncc2F)CCN1 1325040973 AAQPCPYXBZHEHX-ZCFIWIBFSA-N 253.237 -0.415 50 20 CBGD CC(C)NC(=O)C(=O)NN=Cc1cn(C)nc1O 1327778327 RAKPIRWLWGXCMG-UHFFFAOYSA-N 253.262 -0.900 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)nnn2C 1328221869 BMRPHHJYKYMRDT-UHFFFAOYSA-N 290.283 -0.536 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)N1 1330109514 WBCWMICWJVSFEC-KZVJFYERSA-N 279.296 -0.972 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccn(C)c(=O)c1 1330860456 ANSBYJUODKFTBO-UHFFFAOYSA-N 254.315 -0.534 50 20 CBGD CN(C)N(C(=O)[C@]1(F)CCOC1)[C@@H]1CCS(=O)(=O)C1 1342849063 ARASERAGHOQMNE-KOLCDFICSA-N 294.348 -0.393 50 20 CBGD NC[C@H]1CC[C@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 1580331856 RSPXVLWXPGNAHN-OPRDCNLKSA-N 297.359 -0.887 50 20 CBGD CCOCCCNC(=S)NNC(=O)NCC(=O)O 1596919525 MWGOINQIIPGECY-UHFFFAOYSA-N 278.334 -0.824 50 20 CBGD CC[C@@H](C)[C@H](NNC(=O)c1nnn(C)c1C)C(=O)O 1604946236 NZIQXVHYDPFRKH-SVRRBLITSA-N 269.305 -0.143 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)C(=O)O)cc1 1605288236 NSWPZLAWKPXIJM-MRVPVSSYSA-N 293.279 -0.198 50 20 CBGD Cc1cc(C(=O)NNC(=O)C[C@H](C)CC(=O)O)n[nH]1 1607580235 MJCPSJRTFHHLKL-LURJTMIESA-N 268.273 -0.020 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H](C1CCC1)C1CC1 1610699221 MYZKEFIZVPWWQY-QMMMGPOBSA-N 255.274 -0.020 50 20 CBGD Cn1cc(C(=O)NN=Cc2cc(C(=O)O)nn2C)nn1 1776092206 CUUYIHPQFRUPMY-UHFFFAOYSA-N 277.244 -0.989 50 20 CBGD CC(=O)NNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 46643189 PUFRTISHYSBKRW-UHFFFAOYSA-N 297.336 -0.210 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 67181569 XEOLKBQGYQVFGB-SECBINFHSA-N 299.352 -0.306 50 20 CBGD Cc1cccc(CC(=O)NNC(=O)C(=O)NC2CC2)c1 72085210 GJZRPPQGMUYRPA-UHFFFAOYSA-N 275.308 -0.036 50 20 CBGD CC(C)OC(=O)/C(C#N)=C/c1cn(C)c(=O)n(C)c1=O 193102678 LNBZMUJYWMNLOG-WEVVVXLNSA-N 277.280 -0.057 50 20 CBGD Cc1cc(C(=O)NNC(=O)CN2CSCC2=O)[nH]n1 268899192 ZQGPDRABQBFIHU-UHFFFAOYSA-N 283.313 -0.988 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2CCCC(=O)N2)n1 270397141 UQCGWUQFSXILLS-QMMMGPOBSA-N 279.300 -0.095 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)COC(C)(C)C 272547738 OGLCPVFWTHIBSK-UHFFFAOYSA-N 259.306 -0.527 50 20 CBGD CC(C)(C)C(=O)NNC(=O)N1CC[C@](C)(C(N)=O)C1 279905053 LMZJWQYKPJTYFB-LBPRGKRZSA-N 270.333 -0.029 50 20 CBGD Cc1cccc(C(=O)NNS(=O)(=O)N2CCCC2)n1 279965969 OIJJOCWYDSNJJG-UHFFFAOYSA-N 284.341 -0.035 50 20 CBGD COC(=O)c1ccc(S(=O)(=O)NNC(C)=O)s1 298873535 VZRNWDDWCDRMHR-UHFFFAOYSA-N 278.311 -0.136 50 20 CBGD O=C(CNS(=O)(=O)CCCCl)NCC(F)F 393652956 AJUXMTPIDIQMLN-UHFFFAOYSA-N 278.708 -0.084 50 20 CBGD C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cccc(B(O)O)c1 584911350 UTYLTAAHKMGJEX-ZWNOBZJWSA-N 293.128 -0.111 50 20 CBGD O=C(N[C@@H]1CCN(C2CC2)C1)c1cc(B(O)O)ccc1F 584932987 DHXSYBJHZOTFSL-SNVBAGLBSA-N 292.119 -0.528 50 20 CBGD O=C(NCC1(O)CCCC1)c1cc(B(O)O)ccc1F 584945863 MALPKEVCEYGDDR-UHFFFAOYSA-N 281.092 -0.460 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1[C@H]2CC[C@H]1CC(O)C2 584948292 JQCQVHXUWJFFAC-RYUDHWBXSA-N 275.113 -0.506 50 20 CBGD COC1(CNC(=O)c2cccc(B(O)O)c2)CCOCC1 584963954 AHFVZHTYJVZQDP-UHFFFAOYSA-N 293.128 -0.708 50 20 CBGD O=C(NCC1(CF)CC1)c1cc(B(O)O)ccc1F 584990175 QMFIRPIOGVHGQK-UHFFFAOYSA-N 269.056 -0.015 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@@H]2OCC[C@@H]2C1 585004019 VSVBBAHYWKGEFP-RNCFNFMXSA-N 293.103 -0.244 50 20 CBGD Cc1nnc2n1CCC[C@H]2NCc1ccccc1B(O)O 585026216 KCTWQKKAWZDSAZ-CYBMUJFWSA-N 286.144 -0.109 50 20 CBGD CC[C@@H](O)CCNCc1ccc(B(O)O)cc1F 585028837 RQBGOCWMRPKHJF-LLVKDONJSA-N 255.098 -0.244 50 20 CBGD C[S@](=O)CCCNCc1cccc(B(O)O)c1 585028919 PHKFDMXWTWODFZ-KRWDZBQOSA-N 255.148 -0.775 50 20 CBGD Cn1ncc(CCCNCc2ccccc2B(O)O)n1 585043291 LTGYNXCUJQQPDF-UHFFFAOYSA-N 274.133 -0.783 50 20 CBGD O=S(=O)(CCC1Cc2ccccc2C1)NCB(O)O 585059802 ZVXCNJYDCXGHAR-UHFFFAOYSA-N 283.158 -0.277 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1Cc2ccccc2O1 733142677 QCTRYXNVTWHPAF-GFCCVEGCSA-N 294.307 -0.200 50 20 CBGD O=C(CO)NNC(=O)CSc1ccccc1[N+](=O)[O-] 753445277 XFFIIQYRRYYLFL-UHFFFAOYSA-N 285.281 -0.173 50 20 CBGD CS(=O)(=O)c1ccccc1NC(=O)NNC(=O)CO 755583097 LCIOZMXIKNDTHG-UHFFFAOYSA-N 287.297 -0.765 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(OC)cc1C 764299428 HIYLQZFRZVEUDZ-UHFFFAOYSA-N 295.295 -0.264 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(Cl)cc1F 764421155 GIHUTFSOESUJOT-UHFFFAOYSA-N 289.650 -0.443 50 20 CBGD CSCCNC(=S)NNC(=O)Cn1cccn1 770245441 DHKAWNLMZLWQAD-UHFFFAOYSA-N 273.387 -0.259 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CNC(=O)C1CC1 771991821 IRKYZGTXHBMXDG-SSDOTTSWSA-N 285.300 -0.998 50 20 CBGD CN(NC(=O)[C@@H]1CCCN1c1ncccn1)C(N)=O 778418652 QLGXMKNQNXGNQM-QMMMGPOBSA-N 264.289 -0.513 50 20 CBGD CCNC(=O)NNC(=O)CNC(=O)c1cccc(O)c1 778588155 DMCMSNDQIRUZMH-UHFFFAOYSA-N 280.284 -0.528 50 20 CBGD CCNC(=O)N(C)NC(=O)C(C)(C)N1CCOCC1 801185606 WJCZJUJRLVRDFS-UHFFFAOYSA-N 272.349 -0.210 50 20 CBGD O=C(C[C@H]1CCCC(=O)N1)NNC(=O)NC1CC1 813423597 ICUUVHAJBSXGER-MRVPVSSYSA-N 254.290 -0.462 50 20 CBGD CN1C[C@@H](C(=O)NNC(=O)c2cccc(Cl)n2)CC1=O 818387108 MEDLXMAQYOCEGD-ZETCQYMHSA-N 296.714 -0.026 50 20 CBGD COc1cc(C)nc(NNC(=O)CN(C)C(=O)O)n1 829101931 OLIIGIBJQCYZID-UHFFFAOYSA-N 269.261 -0.153 50 20 CBGD COC(=O)NNC(=O)[C@H]1CCc2ncncc2C1 844129086 LRRKLOOGHCQNQW-ZETCQYMHSA-N 250.258 -0.031 50 20 CBGD O=C(NN=c1cc[nH]cc1)[C@@H]1CCCS1(=O)=O 847689998 FYRCHJMQMAYKQW-VIFPVBQESA-N 255.299 -0.476 50 20 CBGD CNC(=S)N(C)NC(=O)c1c[nH]c(C(=O)OC)c1 854921704 XKPQKVSJOZBWHS-UHFFFAOYSA-N 270.314 -0.118 50 20 CBGD CN(NC(=O)OCc1ccccc1)C(=O)Cn1cnnn1 862285939 YJOKEOVOGKWEHB-UHFFFAOYSA-N 290.283 -0.027 50 20 CBGD C[C@@H](NNC(=O)[C@@H]1CC(=O)NC(=O)N1)C(F)(F)F 862320096 OSWSMYAFYPZGOA-DMTCNVIQSA-N 268.195 -0.844 50 20 CBGD O=C1C[C@@H](C(F)(F)F)[C@H](C(=O)NNC(=O)C2CC2)CN1 873750610 JAPZVDPEVYAPFP-RNFRBKRXSA-N 293.245 -0.142 50 20 CBGD C[C@@H](CC[S@@](C)=O)NC(=O)c1ccc(B(O)O)cc1 900880208 SQZOKCXAUZMGLJ-ZRNGKTOUSA-N 283.158 -0.747 50 20 CBGD CCOCC1(C(=O)NNC(=O)CN2CCCC2=O)CC1 913732910 NLNUHHZXCYXBPM-UHFFFAOYSA-N 283.328 -0.427 50 20 CBGD COc1ccnc(NNC(=O)c2ccc(=O)n(C)c2)n1 920444948 LCACGRYYWGRTDC-UHFFFAOYSA-N 275.268 -0.059 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCC1CCOCC1 1116181651 DJUWQRQJBDZKEN-UHFFFAOYSA-N 273.289 -0.694 50 20 CBGD CCn1nccc1C(=O)NNC(=O)C(=O)NC(C)C 1116652751 YCWXTHOQIHCCPD-UHFFFAOYSA-N 267.289 -0.811 50 20 CBGD CO[C@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)C1CC1 1116858738 HXQATKYQKHOOJQ-JTQLQIEISA-N 292.295 -0.408 50 20 CBGD O=C(CCn1cnccc1=O)NNC(=O)NCC1CC1 1117699941 YQMRXXYBUVMFQN-UHFFFAOYSA-N 279.300 -0.626 50 20 CBGD CCCN1CC[C@@H](NC(=O)NNC(=O)C2CCNCC2)C1 1118548109 GXGIIGHEJQJHPN-GFCCVEGCSA-N 297.403 -0.199 50 20 CBGD COc1ccnc(C=NNC(=O)[C@H]2CCC(=O)N2)n1 1118889664 PYRKWEVDSFQWPD-SSDOTTSWSA-N 263.257 -0.786 50 20 CBGD N#CCCCCS(=O)(=O)N1CC[C@H](B(O)O)C1 1118973915 DEVJIRFTGRBPFD-VIFPVBQESA-N 260.124 -0.441 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cnn(C(C)(C)C)c1 1254936990 YSYATLXJHMSOHF-UHFFFAOYSA-N 283.288 -0.036 50 20 CBGD O=C(NN=Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1317720291 XSOVPWNLQCHFET-SNVBAGLBSA-N 267.310 -0.034 50 20 CBGD CCS(=O)(=O)N1CCC(C(=O)NN(C)C(N)=O)CC1 1319726429 DJYMMZTVAJVCEI-UHFFFAOYSA-N 292.361 -0.910 50 20 CBGD CC(C)CC(=O)NNC(=O)NCc1ncn(C)n1 1319933549 KMGPWPBTORTEBY-UHFFFAOYSA-N 254.294 -0.308 50 20 CBGD C[C@H](Cn1ccnc1)NC(=O)NNC(=O)c1cnn(C)c1 1321909503 UWVNATKIVSSWSK-SECBINFHSA-N 291.315 -0.351 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCC2(C)OCCO2)cn1 1325389083 DKJFIEVYNSTKFC-UHFFFAOYSA-N 297.315 -0.483 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NC2CC(F)(F)C2)N1 1329175378 QSNIVACAHZRJHE-LURJTMIESA-N 276.243 -0.607 50 20 CBGD Cn1cnc(C(=O)NNC(=O)Cc2ccncc2)n1 1330087296 NKUJFYIDBKTLCZ-UHFFFAOYSA-N 260.257 -0.786 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCC2CC(F)(F)C2)N1 1332650971 YKBPXNUSAMMFAN-SSDOTTSWSA-N 290.270 -0.359 50 20 CBGD CCn1cc(C(=O)NNC(=O)C2CCOCC2)nn1 1333524362 CUUAWVTURKEKRB-UHFFFAOYSA-N 267.289 -0.514 50 20 CBGD CN1CCCC[C@H]1CNC(=O)c1ccc(B(O)O)cc1 1336204182 STHNSMKVISOABM-ZDUSSCGKSA-N 276.145 -0.420 50 20 CBGD COC(=O)c1ccc(NC(=O)C(=O)NNC(C)=O)cc1F 1337651200 NAFXKPODRVMXRL-UHFFFAOYSA-N 297.242 -0.282 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H](C)c1noc(C)n1 1337753739 VGYNJAIRTVANSN-RQJHMYQMSA-N 269.305 -0.025 50 20 CBGD COCCOCC(=O)NNC(=O)/C=C/[C@@H]1CCOC1 1348740365 AYJQFJHEEYQPRK-VMZHVLLKSA-N 272.301 -0.611 50 20 CBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)CC(F)(F)F 1349952524 YTVIYVUTPJTXIE-HTQZYQBOSA-N 294.277 -0.526 50 20 CBGD C[C@H](CO)N(C)NC(=O)C1CCN(C(=O)N(C)C)CC1 1352230667 QSZFZRZPQQVJIO-SNVBAGLBSA-N 286.376 -0.276 50 20 CBGD C[C@@H](CC(N)=O)C(=O)NNc1cccc(-c2nn[nH]n2)c1 1589800436 MKMNOHZOKIYUKD-ZETCQYMHSA-N 289.299 -0.179 50 20 CBGD O=C(NNC(=O)c1ncc[nH]1)c1ccc(-c2nn[nH]n2)cc1 1593159236 HSVCZTUODHCAHP-UHFFFAOYSA-N 298.266 -0.335 50 20 CBGD COc1ccnc(NNC(=O)N[C@H]2C[C@@H](C(=O)O)C2)n1 1594150568 LAYOZIFDBOJUHO-KNVOCYPGSA-N 281.272 -0.026 50 20 CBGD O=C(NNC(=O)c1ccc(C(=O)O)cn1)NC1CC1 1594783067 UAVCWSKIMXKAJE-UHFFFAOYSA-N 264.241 -0.114 50 20 CBGD O=C(O)CC[C@@H]1C[C@@H](C(=O)NNC(=O)NC2CC2)CO1 1595005501 NUNAPUGZEULMHX-VXNVDRBHSA-N 285.300 -0.251 50 20 CBGD O=C(NNC(=O)C(=O)O)Nc1ccc([N+](=O)[O-])cc1F 1601552855 KPRBQYYLTYCECJ-UHFFFAOYSA-N 286.175 -0.029 50 20 CBGD CC(C)[C@H](C(=O)O)C(=O)NNC(=O)c1cnsn1 1602970445 TYBUVGGRSJRVFJ-LURJTMIESA-N 272.286 -0.344 50 20 CBGD O=C(NNC(=O)[C@@H]1CC[C@H]1C(=O)O)C1CCOCC1 1605815337 DZIXOEQSTXNDIK-RKDXNWHRSA-N 270.285 -0.329 50 20 CBGD Cn1ccnc(NNC(=O)c2ccc(C(=O)O)o2)c1=O 1608129537 RHKCAXPTCUPLLP-UHFFFAOYSA-N 278.224 -0.172 50 20 CBGD O=C(CNC(=O)c1ccccc1)NNC(=O)[C@@H]1CCCO1 43108661 NHFOBWXIFKRKEU-NSHDSACASA-N 291.307 -0.257 50 20 CBGD CCOC(=O)NNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 53576404 MLKJXZJUUYRBKI-LBPRGKRZSA-N 298.299 -0.516 50 20 CBGD Cc1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)no1 156877805 MOEASECIOGFZAJ-UHFFFAOYSA-N 292.251 -0.233 50 20 CBGD Cc1c(C(=O)NNC(=O)CO)oc2c1C(=O)CCC2 182756031 ZMQJHEGZAYBDCF-UHFFFAOYSA-N 266.253 -0.140 50 20 CBGD COc1nccnc1NNC(=O)CCCS(C)(=O)=O 274143059 XOUIVVYOMINQCN-UHFFFAOYSA-N 288.329 -0.247 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)[C@@H]1CC[C@H](C(N)=O)O1 276535673 DLHOPVWLPXSTNK-MNOVXSKESA-N 291.307 -0.211 50 20 CBGD CO[C@@H](C)CS(=O)(=O)NNC(=O)NCc1ccco1 282201778 LUFYWWONGRFXOW-QMMMGPOBSA-N 291.329 -0.052 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)N1C[C@H]2CC[C@H]1C2 368888786 NBWKWYWFVAPXOZ-IUCAKERBSA-N 276.362 -0.119 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)N[C@H]2CCCN(O)C2=O)cn1 491130517 IYBLWIKSGGRFPD-VQNWOSHQSA-N 289.295 -0.177 50 20 CBGD CCOC(=O)NNC(=O)[C@@H](NC(=O)COC)C(C)C 491899278 WAHOCKMPZQKBHR-VIFPVBQESA-N 275.305 -0.449 50 20 CBGD CCC[C@H](C#N)NC(=O)c1ccc(B(O)O)c(F)c1 584936004 BRFSNMLVQHCQKO-SECBINFHSA-N 264.065 -0.072 50 20 CBGD O=C(NCC12CCCN1CCC2)c1ccc(B(O)O)cc1 584985868 QVNPKVNDNUDYTI-UHFFFAOYSA-N 288.156 -0.275 50 20 CBGD CO[C@H](C1CC1)[C@H](C)NC(=O)c1cccc(B(O)O)c1 584996493 JBKJNPKEOYZZPI-ZANVPECISA-N 277.129 -0.090 50 20 CBGD C[C@@H]1[C@@H](CO)CCCN1C(=O)c1cccc(B(O)O)c1 584999968 ICQNPWYWJLRTHV-ZYHUDNBSSA-N 277.129 -0.401 50 20 CBGD CN(CC(=O)N1CCCC1)C(=O)c1ccc(B(O)O)cc1 585008235 HAURHZLXXNFHQX-UHFFFAOYSA-N 290.128 -0.939 50 20 CBGD CC(C)[C@H](O)CCNCc1ccccc1B(O)O 585029791 URAQXAVPEDROSC-CYBMUJFWSA-N 251.135 -0.137 50 20 CBGD CC1(C)[C@@H](O)C[C@@H]1NCc1ccc(B(O)O)cc1F 585036894 ROBUPJUYZQTORL-RYUDHWBXSA-N 267.109 -0.246 50 20 CBGD CC(C)N1C[C@@H](CNCc2ccc(B(O)O)cc2)CC1=O 585043868 UXZZMWCXNXBKSC-CYBMUJFWSA-N 290.172 -0.287 50 20 CBGD C[C@@H]1O[C@H](C)C[C@H]1CNCc1ccc(B(O)O)o1 585046321 PSPNUUIGWBJAHB-UTLUCORTSA-N 253.107 -0.138 50 20 CBGD CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCB(O)O 585053613 BAHOYEBNFQEZCE-VIFPVBQESA-N 284.146 -0.369 50 20 CBGD O=S(=O)(Cc1cccc2cccnc12)NCB(O)O 585055716 HYBQPVYGPHLRTJ-UHFFFAOYSA-N 280.114 -0.334 50 20 CBGD CCC(CC)N1C[C@@H](C(=O)NCB(O)O)CC1=O 585061281 UYZCENNUYVXVKC-QMMMGPOBSA-N 256.111 -0.848 50 20 CBGD O=C([C@@H]1COc2ccc(O)cc2O1)N1CC[C@H](B(O)O)C1 585067761 UUTMRFVJSQNJHJ-UFBFGSQYSA-N 293.084 -0.393 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H](C)n1cncn1 729919754 CJZCMLCTDDFHAO-MRVPVSSYSA-N 270.293 -0.794 50 20 CBGD Cc1ccc(NNC(=O)N[C@@H](C)CS(C)(=O)=O)nn1 733660858 XTQDKEHJVSZROE-QMMMGPOBSA-N 287.345 -0.156 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCN(C(C)C)C1=O 734219655 WWCMLMTWAIQPID-SECBINFHSA-N 286.332 -0.637 50 20 CBGD O=C(O)NCCC(=O)NNC(=O)NC1CCCC1 739938201 OKJAZSYPMLRMAR-UHFFFAOYSA-N 258.278 -0.083 50 20 CBGD C[C@@H](NC(=S)NNC(=O)CCNC(N)=O)C1CC1 751618545 HNQOKDIHGJWUDT-ZCFIWIBFSA-N 273.362 -0.661 50 20 CBGD CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1cnn(C)c1 756646384 VTPDYKXQBFAPLA-LLVKDONJSA-N 293.327 -0.418 50 20 CBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)C1CC1 762447725 YSBUWTKHXUWQAB-UHFFFAOYSA-N 277.346 -0.596 50 20 CBGD O=C(NC[C@H]1CCCS1(=O)=O)NNc1ncccn1 767173582 YPLUKEOJUNRAQE-MRVPVSSYSA-N 285.329 -0.320 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2C)n1 771605011 CDGOXLSMMVMIAE-JTQLQIEISA-N 293.327 -0.732 50 20 CBGD CN(C)S(=O)(=O)CCC(=O)NCCCSC#N 773589511 XDKFEGQNLHUDHX-UHFFFAOYSA-N 279.387 -0.012 50 20 CBGD CSC[C@H](C)C(=O)NNC(=O)N1CCN(C)CC1 773672838 LFQLVBYQFNNNSF-VIFPVBQESA-N 274.390 -0.026 50 20 CBGD C=CCNC(=O)CNC(=O)NNc1cccnn1 776961711 YTIFXTQXLHETGL-UHFFFAOYSA-N 250.262 -0.595 50 20 CBGD CCNC(=O)N(C)NC(=O)CN(C)CC(=O)NC(C)C 780707961 AMFJGJOAKBURBE-UHFFFAOYSA-N 287.364 -0.865 50 20 CBGD COC(=O)CN(C)CC(=O)NNC(=O)c1ccc(C)cc1 781203500 OWBPMRCXKZIXHN-UHFFFAOYSA-N 293.323 -0.139 50 20 CBGD CN(NC(=O)[C@H]1CCCc2nn(C)cc21)C(N)=O 798987173 KXFFBOKQVGSXAY-ZETCQYMHSA-N 251.290 -0.118 50 20 CBGD Cn1cncc1C(=O)NNC(=O)CNC(=O)c1ccco1 809647169 LKRYJNLLLKWZGB-UHFFFAOYSA-N 291.267 -0.796 50 20 CBGD O=C1NC(=O)C(=NNC(=O)NC2CCCCC2)C(=O)N1 814213771 SFOWTDUUUGOJDB-UHFFFAOYSA-N 281.272 -0.660 50 20 CBGD COC(=O)N(C)CCCC(=O)NN(C)[C@@H](C)CO 823959418 ICUPUVLBNIJMFJ-VIFPVBQESA-N 261.322 -0.191 50 20 CBGD Cn1c(S(=O)(=O)NNC(=O)O)cnc1Cl 833039887 TWZMTROQIBOGMW-UHFFFAOYSA-N 254.655 -0.466 50 20 CBGD Cc1nccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1 843645196 LYEVJDUWBZWKMB-CBAPKCEASA-N 264.285 -0.029 50 20 CBGD C[C@@H]1CCCc2ncc(C(=O)NNC(=O)CO)n21 846636108 BMOXREIVCKEZMA-SSDOTTSWSA-N 252.274 -0.466 50 20 CBGD CC(C)(CO)C(=O)NNC(=O)COc1ccccc1O 847467937 XWJMFDZOPGXKHF-UHFFFAOYSA-N 282.296 -0.063 50 20 CBGD CC(C)[C@@H](C(=O)NNC(=O)c1cc[nH]n1)N(C)C 855357199 DEGFBWWPZNVDBZ-VIFPVBQESA-N 253.306 -0.243 50 20 CBGD Cn1nc(C(=O)NNc2cc(Cl)nc(N)n2)cc1O 857487158 YSLSIQKZJJLNJX-UHFFFAOYSA-N 283.679 -0.092 50 20 CBGD C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862455485 ORYSGFKRIOPAQO-BBBLOLIVSA-N 282.344 -0.715 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1ccc(C(=O)O)o1 863186854 OJTWARFYWRGPCE-UHFFFAOYSA-N 288.281 -0.137 50 20 CBGD CC(C)C(=O)NNC(=O)/C=C/CN1CCOCC1 864491133 RPIYOCMEGVHFEX-ONEGZZNKSA-N 255.318 -0.322 50 20 CBGD CC[C@]1(C(=O)NNC(=O)NCC(F)(F)F)CCNC1=O 868027681 YTJAXMKTPTVXKP-VIFPVBQESA-N 296.249 -0.205 50 20 CBGD CCO[C@H](C(=O)NNC(=O)COCCOC)C1CC1 869901669 VBAVLNZONHAUTI-NSHDSACASA-N 274.317 -0.388 50 20 CBGD Cn1cnc(C(=O)NNC(=O)C(C)(C)C)cc1=O 874060682 IMLBDHUSLJJTRH-UHFFFAOYSA-N 252.274 -0.413 50 20 CBGD CN1C(=O)CS/C1=C\C(=O)NNC(=O)NCC1CC1 874194502 UMUBUDCNDXUDHB-WMZJFQQLSA-N 284.341 -0.227 50 20 CBGD COc1ccn2c(C(=O)NNC(=O)CN(C)C)cnc2c1 896129415 TVCUEMGFGAURHK-UHFFFAOYSA-N 291.311 -0.335 50 20 CBGD COC(=O)N[C@H](C(=O)NN(C)C[C@@H](C)O)C(C)C 910166924 FEKKDJREYMABIK-BDAKNGLRSA-N 261.322 -0.289 50 20 CBGD Cc1cc(C(=O)NN(C)C[C@@H](C)O)ccc1-n1cnnn1 910174894 ZMIYYQSONFCULV-SNVBAGLBSA-N 290.327 -0.072 50 20 CBGD Cn1cc(C(=O)NNC(=S)NCC2CCC2)n(C)c1=O 912106886 MBLVKNRFSKGFBF-UHFFFAOYSA-N 297.384 -0.367 50 20 CBGD CO[C@@H](CC(C)C)C(=O)NNC(=O)CN1CCCC1=O 913733589 OCRHSRJGGXYISI-JTQLQIEISA-N 285.344 -0.183 50 20 CBGD CCCNC(=O)NNC(=O)[C@H](C)N1C(=O)CCC1=O 1318215166 YLVVPNIBSXKDJL-ZETCQYMHSA-N 270.289 -0.736 50 20 CBGD Cc1nnc(NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)nc1O 1318476371 VJQALWAZWIRBNK-BWZBUEFSSA-N 265.273 -0.104 50 20 CBGD O=C(CO)NNC(=O)CCc1nc(-c2ccoc2)no1 1320086392 MIZSGCAMUFZJIT-UHFFFAOYSA-N 280.240 -0.598 50 20 CBGD COC(=O)NNC(=O)c1ccnc(-n2cncn2)c1 1320385189 KRHMCIZZBCWQSL-UHFFFAOYSA-N 262.229 -0.337 50 20 CBGD COCC(=O)NCCC(=O)NNc1ncccc1C 1321853250 JMNNDBWDNFQYHK-UHFFFAOYSA-N 266.301 -0.014 50 20 CBGD CCCNC(=O)NNC(=O)c1cc(C(N)=O)c[nH]1 1323547038 MDNJEQRQGOCFSI-UHFFFAOYSA-N 253.262 -0.532 50 20 CBGD CN1N=C(C(=O)NNC(=O)N=c2cc[nH]cc2)CCC1=O 1325263872 XYLYQABCDRBKKS-UHFFFAOYSA-N 290.283 -0.736 50 20 CBGD C#CCN1CCC[C@H](NCc2cccc(B(O)O)c2)C1 1331597205 NMZZNVNTIZRJEY-HNNXBMFYSA-N 272.157 -0.446 50 20 CBGD CN(C)C(=O)NNC(=O)c1cnc(N(C)C)cn1 1341984590 VCFKLTARRMALRR-UHFFFAOYSA-N 252.278 -0.541 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@@H]1NCC12CCOCC2 1580642495 RGPITMGDQWIULE-JTQLQIEISA-N 282.344 -0.505 50 20 CBGD O=C(Cn1ccc(C(=O)O)n1)NNC(=O)[C@@H]1CCCS1 1601384881 QPAUACPEIMNYHA-QMMMGPOBSA-N 298.324 -0.376 50 20 CBGD O=C(O)CCCCC(=O)NNC(=O)c1cccnn1 1601982368 WGJHYTFDEUKPKY-UHFFFAOYSA-N 266.257 -0.117 50 20 CBGD CCN(CCO)NC(=O)Cc1ccc(-c2nn[nH]n2)nc1 1604318822 IQUAPZRLTUABSY-UHFFFAOYSA-N 291.315 -0.850 50 20 CBGD O=C(O)CNC(=O)NN=Cc1cnn2c1CCC2 1608754505 JTNNKULQTJLFLU-UHFFFAOYSA-N 251.246 -0.453 50 20 CBGD Cc1cccc(C(=O)NNC(=O)C(=O)NC2CC2)n1 48482496 FZGKJVCMRHCCPG-UHFFFAOYSA-N 262.269 -0.570 50 20 CBGD CN1N=C(C(=O)NNC(=O)NC2CC2)CCC1=O 49150905 SEKUHUOLQRQTNF-UHFFFAOYSA-N 253.262 -0.913 50 20 CBGD C[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)C(=O)NC1CC1 105311946 VAUUIRDFPJXSLZ-APPZFPTMSA-N 268.317 -0.216 50 20 CBGD C[C@@H]1CO[C@H](CO)CN1S(=O)(=O)CBr 127558034 ZRBFEZWYMPVPLV-RQJHMYQMSA-N 288.163 -0.250 50 20 CBGD Cc1cc(O)cc(=O)n1CC(=O)NNc1cnccn1 177339536 YHXMRQZTLINYFZ-UHFFFAOYSA-N 275.268 -0.204 50 20 CBGD CC(C)(C(=O)NNC(=O)Cn1cnnn1)c1ccccc1 264621381 JMFOFBRLIYWJSA-UHFFFAOYSA-N 288.311 -0.202 50 20 CBGD COc1ccnc(NNC(=O)COCc2ccnn2C)n1 284196836 YXLJANMOIKGHCN-UHFFFAOYSA-N 292.299 -0.121 50 20 CBGD C[C@H](O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C 492188953 OLRNNFRNQBHIFV-QMMMGPOBSA-N 289.332 -0.181 50 20 CBGD COC(=O)N(C)NC(=O)c1cc(=O)c(OC)co1 495692082 FXSLBMOTHMWZDZ-UHFFFAOYSA-N 256.214 -0.009 50 20 CBGD CC1CN([C@@H](C)C(=O)Nc2cccc(B(O)O)c2)C1 584911854 NTTDCEHFWHDWBO-JTQLQIEISA-N 262.118 -0.355 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCCn3ncnc32)o1 585025691 AIKNOQFOMCUONC-SECBINFHSA-N 262.078 -0.824 50 20 CBGD OCC[C@H](NCc1ccc(B(O)O)o1)C1CCOCC1 585036516 LZXWOZARGOXDTE-LBPRGKRZSA-N 283.133 -0.773 50 20 CBGD Cc1nccc([C@@H](C)NCc2ccc(B(O)O)o2)n1 585043225 KRUSKDYOGQULOG-MRVPVSSYSA-N 261.090 -0.091 50 20 CBGD CN1CCN(S(=O)(=O)CCCCl)[C@@H](CO)C1 699500443 PGTSODBNOYYFDE-SECBINFHSA-N 270.782 -0.447 50 20 CBGD Cn1cc(-c2nc(C(=O)NNC(=O)CO)cs2)cn1 753445455 JNDHIFINFZDHEH-UHFFFAOYSA-N 281.297 -0.703 50 20 CBGD NC(=O)c1ccc(NNC(=O)Cc2ccc(O)cc2)nn1 760130734 CTYOYCINDVIBAK-UHFFFAOYSA-N 287.279 -0.033 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=CC[C@H]1CCOC1 765570792 BQTJRFUXTXAZDH-IUCAKERBSA-N 277.346 -0.547 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C(F)(F)C1(O)CCC1 767205916 WYBVDWZQWLLXDE-UHFFFAOYSA-N 293.270 -0.791 50 20 CBGD CCN(CCO)CC(=O)NNC(=O)c1ccc(C#N)cc1 772755492 QNOFBYLEEPDDIS-UHFFFAOYSA-N 290.323 -0.367 50 20 CBGD CCN(C)C(=O)CNC(=O)NNC(=O)Cc1ccncc1 773653694 HASHOGLIKJQBCR-UHFFFAOYSA-N 293.327 -0.567 50 20 CBGD C[C@H](O)CN(CC(=O)NNC(=O)C(C)(C)C)[C@H](C)CO 785536647 HHZIFBZXQSCANV-ZJUUUORDSA-N 289.376 -0.757 50 20 CBGD C[C@@H]1COC(=O)C1=NNC(=O)CNC(=O)c1cccnc1 794918023 NAHPYNPEYHVIDD-MRVPVSSYSA-N 290.279 -0.524 50 20 CBGD COc1cnc(C(=O)NNC(=O)c2cccnc2)nc1 814697396 MHBORYCEDGNSJC-UHFFFAOYSA-N 273.252 -0.045 50 20 CBGD CN(NC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1)C(N)=O 816958185 ICKPBXKSWAZCMQ-AWEZNQCLSA-N 290.323 -0.124 50 20 CBGD Cn1nncc1C=NNC(=O)c1cccc(-c2nn[nH]n2)c1 822714165 HYNBQVOHPQGTTN-UHFFFAOYSA-N 297.282 -0.241 50 20 CBGD COC(=O)CSCCC(=O)NN(C)[C@@H](C)CO 823964823 DZVOPRJQPMUXBY-QMMMGPOBSA-N 264.347 -0.374 50 20 CBGD O=C(O)CCCN1CCC(=NNC(=O)CO)CC1 833774013 VBZHODHQXXRIFG-UHFFFAOYSA-N 257.290 -0.589 50 20 CBGD CC(=O)NNC(=O)C1=C(C)N(C)c2nnnn2[C@H]1C 847282940 FLIRBXGYSFAIKQ-LURJTMIESA-N 265.277 -0.875 50 20 CBGD CCOC(=O)[C@H](N)C(=O)NNc1nc(C)cc(C)n1 852800555 PGNNIJCWQPWDIT-MRVPVSSYSA-N 267.289 -0.573 50 20 CBGD CCOCCO[C@H](C)C(=O)NNC(=O)c1cc[nH]n1 855359039 CSJYUGBPACLYEK-MRVPVSSYSA-N 270.289 -0.388 50 20 CBGD COC(=O)c1cnn(CC(=O)NNC(=O)NC2CC2)c1 858778121 AQGDRVHPAQOFPF-UHFFFAOYSA-N 281.272 -0.838 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCCN1CCC[C@H]1C(N)=O 862647271 HLPXBZGTBCPZCR-IIANPFDCSA-N 294.355 -0.114 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCc1cn[nH]c1 863867036 STUUOOHMDLAHDK-UHFFFAOYSA-N 262.273 -0.165 50 20 CBGD CC[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)OC 863876902 MFYGRECMBZLCHW-JTQLQIEISA-N 265.074 -0.952 50 20 CBGD COc1nccnc1NNC(=O)/C=C/CN1CCOCC1 868893765 LJLIDPORTFPFNL-NSCUHMNNSA-N 293.327 -0.183 50 20 CBGD CO[C@H]1C[C@H](NC(=O)NNC(=O)C2CCOCC2)C1 883746514 JNODKCKUYJWNBY-MGCOHNPYSA-N 271.317 -0.079 50 20 CBGD CS(=O)(=O)N1CC(C(=O)NNc2cccc(F)n2)C1 908172011 WQGMCILZGFSRRM-UHFFFAOYSA-N 288.304 -0.445 50 20 CBGD CCCN1C[C@@H](C(=O)NN(C)C[C@H](C)O)CC1=O 910145936 GHPDTVTYQYGIKW-UWVGGRQHSA-N 257.334 -0.411 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccc2nnc(S)n2c1 910150604 SZWQMGYYKKAYDF-SSDOTTSWSA-N 281.341 -0.025 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cc(N2CCOCC2)ccn1 910180680 YUZPIFNXIZPTTM-LLVKDONJSA-N 294.355 -0.124 50 20 CBGD CCN(CC)C[C@H](C)NC(=O)NNC(=O)C(=O)NC1CC1 921122168 SBEMOUCPLDCBLS-VIFPVBQESA-N 299.375 -0.674 50 20 CBGD C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)[C@H]1CCCCO1 926021062 UTMNUTCVFINKNV-KXUCPTDWSA-N 271.317 -0.079 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)n1cncn1 1116505515 IWDSIGZKJHKRTA-SSDOTTSWSA-N 263.261 -0.668 50 20 CBGD CN1[C@H]2CC[C@H]1CC(NC(=O)NNC(=O)c1cn[nH]c1)C2 1118866211 YCNLGGGTYIOOTQ-QWRGUYRKSA-N 292.343 -0.021 50 20 CBGD C=CC[C@@H](NC(=O)c1cccc(B(O)O)c1)C(=O)OCC 1118910102 KFZMYCHQFITFRO-GFCCVEGCSA-N 291.112 -0.396 50 20 CBGD COC(=O)c1cc(N2CC[C@H](B(O)O)C2)ncn1 1119375440 FPKAMAWLBUSSRZ-ZETCQYMHSA-N 251.051 -0.684 50 20 CBGD CC(C)c1ocnc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1261830016 IEOCNSCQUWXNLD-SSDOTTSWSA-N 280.284 -0.162 50 20 CBGD N#Cc1c[nH]c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 1318913282 BVCLECLGLPCSSE-MRVPVSSYSA-N 296.308 -0.918 50 20 CBGD N#Cc1c[nH]c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 1318913284 BVCLECLGLPCSSE-QMMMGPOBSA-N 296.308 -0.918 50 20 CBGD Cc1cc(NC(=O)C(=O)NNC(=O)CCO)ccc1F 1320237383 MSKWHFZCZBZDGB-UHFFFAOYSA-N 283.259 -0.398 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccn(C)n1 1320608461 WQGTVEWWKHTKDB-UHFFFAOYSA-N 268.277 -0.949 50 20 CBGD C#Cc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cn1 1322467969 DEIXQLBUFGARCS-UHFFFAOYSA-N 272.264 -0.898 50 20 CBGD CC(F)(F)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1324253902 MWWUMBFUWYYYBG-YFKPBYRVSA-N 270.257 -0.776 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1c(C)cnn1CC 1327264126 PMWICMHEILZXRV-UHFFFAOYSA-N 283.288 -0.073 50 20 CBGD O=C(NNc1cccnn1)[C@H]1CCCS(=O)(=O)C1 1327297911 YKXBWRGHYSBMIU-QMMMGPOBSA-N 270.314 -0.256 50 20 CBGD C=CC(=O)N(C)CC(=O)NNC(=S)NC(C)C 1328689010 IYCZMTOWGXVLOQ-UHFFFAOYSA-N 258.347 -0.466 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@@]12CCOC2)C1CCOCC1 1330831648 WUGNPMWEFDDMRY-GXFFZTMASA-N 268.313 -0.013 50 20 CBGD Cc1ccc(NNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)nc1 1331534393 UCCZIPOFMLVJFQ-QMMMGPOBSA-N 292.299 -0.674 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1cnc[nH]1 1332208825 SIJPRYGJXWKUJI-APPZFPTMSA-N 252.274 -0.475 50 20 CBGD Cc1cc(CNC(=O)NNC(=O)c2cn[nH]c2)n(C)n1 1348110548 KEBFDABHGMJULF-UHFFFAOYSA-N 277.288 -0.404 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1[C@@H](C)C1(F)F 1350133650 DQKSKXSNUZOOII-SVRRBLITSA-N 266.244 -0.302 50 20 CBGD O=C(O)c1ccc(C(=O)NNC(=O)c2ncon2)nc1 1574795805 GCPGLQIAQBTFGB-UHFFFAOYSA-N 277.196 -0.762 50 20 CBGD CC[C@](C)(O)C(=O)NNC(=O)NC1CCNCC1 1576962145 ZOIVOKOQWHOLHK-NSHDSACASA-N 258.322 -0.770 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc(C(=O)O)nc1 1588796039 PYWYWIQCNFVZHE-UHFFFAOYSA-N 267.241 -0.688 50 20 CBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNc1ncccc1C(=O)O 1589415720 LLCIARKWQRGIGF-IYSWYEEDSA-N 280.240 -0.280 50 20 CBGD O=C(Cc1ncc[nH]1)NNc1ccc(-c2nn[nH]n2)cn1 1592933558 LCCZIABUGRJJQV-UHFFFAOYSA-N 285.271 -0.329 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNc1cc(Cl)nc(C)n1 1593911756 RKCABBBAWUMLKU-SSDOTTSWSA-N 274.664 -0.019 50 20 CBGD CC[C@H](CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)C(=O)O 1603560456 AEJFMSVCFWPJOT-DJLDLDEBSA-N 287.316 -0.147 50 20 CBGD O=C(O)CCC(=O)NNC(=O)[C@H]1CCN1C1CCOCC1 1606101860 WISFPHOUGXRQAY-SNVBAGLBSA-N 299.327 -0.748 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc(C(=O)O)s2)N1 1609035627 KMMFLQLSYSGHQF-RXMQYKEDSA-N 297.292 -0.514 50 20 CBGD COC(=O)C(=O)NN=Cc1cccn1[C@H](C)C(=O)O 1610149960 TZFMKVZUPLHPAZ-SSDOTTSWSA-N 267.241 -0.243 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)c2cccnc2)CC1=O 44293536 GDWHTGOGVYFOPH-SECBINFHSA-N 276.296 -0.289 50 20 CBGD CCCN(CC(=O)NNC(=O)C1CC1)CC(=O)N(C)C 112977487 VWKCGFPZYSRAPC-UHFFFAOYSA-N 284.360 -0.656 50 20 CBGD CC1(C)COCCN1CC(=O)NNC(=O)C1CC1 112977538 HEZUBFOLJRCEMV-UHFFFAOYSA-N 255.318 -0.345 50 20 CBGD CN(CCCN)CC(=O)NNC(=O)c1ccccc1 133787363 BHKIWHVPKWZTTG-UHFFFAOYSA-N 264.329 -0.272 50 20 CBGD CC(=O)NNC(=O)[C@H]1COCCN1C1CCCC1 188406024 MUZCHRRUYDESAX-LLVKDONJSA-N 255.318 -0.203 50 20 CBGD COCCn1ccc(C(=O)NNC(=O)c2cccn2C)n1 190491716 AAWAINUHYWNCQG-UHFFFAOYSA-N 291.311 -0.057 50 20 CBGD O=C(N[C@@H]1CCc2c[nH]nc2C1)c1ccc(B(O)O)cc1 584959092 WYVKJJUSWHDDJT-GFCCVEGCSA-N 285.112 -0.623 50 20 CBGD CCO[C@@H]1C[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584981396 FSKOLUALYRXYEL-GHMZBOCLSA-N 267.065 -0.587 50 20 CBGD CC(=O)N1CCC(NCc2ccccc2B(O)O)CC1 585013865 AFUHPRNNZJRIHU-UHFFFAOYSA-N 276.145 -0.533 50 20 CBGD C[C@H](CN1CCCCC1)NCc1ccc(B(O)O)o1 585017950 OUPQSJXPTMELPK-LLVKDONJSA-N 266.150 -0.077 50 20 CBGD CS[C@H](CO)[C@H](C)NCc1ccc(B(O)O)cc1 585027858 FCSGKIRRUWQPHZ-JOYOIKCWSA-N 269.175 -0.432 50 20 CBGD C[C@H](CC[S@@](C)=O)NCc1ccc(B(O)O)cc1F 585031626 WMBDLQRYYUCKTG-AYLIAGHASA-N 287.165 -0.248 50 20 CBGD O=C1C[C@@H](NCc2ccc(B(O)O)cc2)CN1C1CC1 585033235 BPXLDTZYNARNKN-GFCCVEGCSA-N 274.129 -0.781 50 20 CBGD OB(O)c1cccc(CN[C@@H]2COc3ccccc3[C@H]2O)c1 585040240 CVVXNWJCFGCWKA-GDBMZVCRSA-N 299.135 -0.049 50 20 CBGD Cc1ccccc1NC(=O)NNC(=S)NCC(N)=O 727074965 VCJGXGBEDKIKSJ-UHFFFAOYSA-N 281.341 -0.019 50 20 CBGD CCNC(=O)[C@H](C)NC(=O)NNC(=O)Cc1cccnc1 728956995 GCZWUAFJBCQTRX-VIFPVBQESA-N 293.327 -0.521 50 20 CBGD CNC(=O)[C@H]1CCCN(CC(=O)NNC(=O)C(C)(C)C)C1 744400372 HRGIOECYXJDPIE-JTQLQIEISA-N 298.387 -0.362 50 20 CBGD CNC(=O)NN=Cc1cnc(N2CCN(C)CC2)nc1 755665317 VNDPNTZZLYQHNF-UHFFFAOYSA-N 277.332 -0.509 50 20 CBGD C[C@@H]1CCCN(C(=O)C(=O)NNC(=O)N2CCOCC2)C1 767778675 CBKLMNJZRQUPRC-SNVBAGLBSA-N 298.343 -0.682 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)C(C)(C)O 768256810 YUQGGGUSHMAENL-VIFPVBQESA-N 253.302 -0.998 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)c2ccccn2)C1=O 771837556 FEPMEEUUVCDQPV-MRVPVSSYSA-N 262.269 -0.679 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNC(=O)CC(F)(F)F 775602690 QFZYEWWSCCESGY-ZETCQYMHSA-N 283.250 -0.193 50 20 CBGD COC1(C(=O)NNc2ccc(C(N)=O)nn2)CCC1 782121192 GTUNTLKBCDPHNS-UHFFFAOYSA-N 265.273 -0.412 50 20 CBGD COc1cccc(NNC(=O)NCc2nnn(C)n2)n1 787899406 ANHKTGULMPXSBD-UHFFFAOYSA-N 278.276 -0.560 50 20 CBGD CC[C@H](C(=O)NN(C)CCOC)N1CCCC1=O 808075433 YSEDPUNMDYUICT-SNVBAGLBSA-N 257.334 -0.003 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1nccs1 814835049 FPMDIJWMNWZEIB-ZCFIWIBFSA-N 276.343 -0.469 50 20 CBGD CCOCC(C)(C)NCC(=O)NNC(=O)C1CC1 815137943 USXHIYAHOCPXOE-UHFFFAOYSA-N 257.334 -0.052 50 20 CBGD NS(=O)(=O)C1(C(=O)NNC(=O)c2ccccc2)CC1 816816783 IIOQNEDAGPPJHX-UHFFFAOYSA-N 283.309 -0.731 50 20 CBGD COC(=O)c1cccc(C(=O)NN(C)[C@H](C)CO)n1 823970035 BLTXNSJUXGLOPI-MRVPVSSYSA-N 267.285 -0.174 50 20 CBGD COC(=O)NCCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843651811 PCPPNWXGWXMMMA-HTQZYQBOSA-N 273.289 -0.695 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2nnnn2c1 843652285 IYDQLNAGMPOLMK-APPZFPTMSA-N 290.283 -0.690 50 20 CBGD C#CCO[C@H](C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843660655 LVIKTXSKGLZYLS-OPRDCNLKSA-N 254.286 -0.403 50 20 CBGD COCCN(C)NC(=O)c1c(Br)nnn1C 848378142 JCQIIODNWYGPJG-UHFFFAOYSA-N 292.137 -0.199 50 20 CBGD CC1CC(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858628062 JIOLTUYXUCAVEH-AMDVSUOASA-N 268.317 -0.359 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccnn1 862095339 XMJIJBDYCPGBFB-SFYZADRCSA-N 250.258 -0.337 50 20 CBGD O=C1N[C@@H](C(=O)NNC(=O)c2cccc(F)n2)CCO1 862236228 JWJGCVVEKMWSFC-SSDOTTSWSA-N 282.231 -0.520 50 20 CBGD CC1=C(C)C(=O)N(CCC(=O)NN(C)[C@@H](C)CO)C1=O 911444797 KERDTHXJGJPQBM-QMMMGPOBSA-N 283.328 -0.575 50 20 CBGD CN(C)C1(C(=O)NNC(=O)c2cccnn2)CCC1 921314586 XYSUGIJLDWMATH-UHFFFAOYSA-N 263.301 -0.278 50 20 CBGD N#CSCCCNC(=O)C[C@H]1CC(=O)NC1=O 935842905 DZOKUDYIVOJWIW-ZETCQYMHSA-N 255.299 -0.240 50 20 CBGD CS(=O)(=O)CCCNC(=O)NNC(=O)C1CCC1 1116040427 ZHVHGBNZPPWEOV-UHFFFAOYSA-N 277.346 -0.448 50 20 CBGD CCOCCO[C@H](C)C(=O)NNc1cnnn1C 1117723208 BEOGSAZUZLMMAA-MRVPVSSYSA-N 257.294 -0.300 50 20 CBGD O=C(NNc1ncccc1F)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 1118703639 TWZYSAJWVLMIAM-OPRDCNLKSA-N 283.259 -0.923 50 20 CBGD CC(C)CC(=O)NNC(=O)NCC(=O)N1CCCC1 1251614592 GNGABINGVHIVCR-UHFFFAOYSA-N 270.333 -0.015 50 20 CBGD CC(C)CC(=O)NNC(=O)C(=O)Nc1ccnn1C 1254897508 UUGYQDBQQZIBLI-UHFFFAOYSA-N 267.289 -0.448 50 20 CBGD O=C(NNc1ncncc1F)[C@H]1CCCS(=O)(=O)C1 1261515514 JWLNNEYDJHBGOB-ZETCQYMHSA-N 288.304 -0.116 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)on1 1318082532 OJIBHNOYXJSSAI-UHFFFAOYSA-N 266.257 -0.634 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(C(N)=O)s1 1318345585 GHVMGJBVXYSWEF-UHFFFAOYSA-N 256.287 -0.189 50 20 CBGD COCCO[C@@H](C)C(=O)NN=Cc1cn(C)nn1 1319589150 ZAECQPMHPPQWMC-QMMMGPOBSA-N 255.278 -0.683 50 20 CBGD COc1cc(C(=O)NN(C)C(N)=O)ccc1OCC(N)=O 1319988562 BKOMRUCPIAJGNH-UHFFFAOYSA-N 296.283 -0.785 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CSC[C@H]1C 1326902896 VCBMMICJFGJYDP-RITPCOANSA-N 261.303 -0.759 50 20 CBGD CNC(=S)N(C)NC(=O)C1=NN(C)C(=O)CC1 1331204279 RFFFUJALPNYEJI-UHFFFAOYSA-N 257.319 -0.938 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CCc1nccs1 1331736427 MISALYUVGSHBAI-UHFFFAOYSA-N 291.354 -0.732 50 20 CBGD CC(C)(CCl)CS(=O)(=O)N[C@@H]1CNC[C@@H]1O 1575307875 SOAREALISJOQEV-SFYZADRCSA-N 270.782 -0.497 50 20 CBGD NC[C@H]1C[C@H](NC(=O)NNC(=O)c2cnsn2)C1 1580333593 ZGYWZLXPRKDKLK-IZLXSQMJSA-N 270.318 -0.781 50 20 CBGD O=C(Cc1ccc(-c2nn[nH]n2)nc1)NN=c1cc[nH]cc1 1582138371 BIXVQBSLTFNLIW-UHFFFAOYSA-N 296.294 -0.236 50 20 CBGD C=C[C@H](O)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 1588525884 MPYVJRAEESZOFU-VIFPVBQESA-N 260.257 -0.143 50 20 CBGD CCNC(=O)NNC(=O)c1cccc(F)c1-c1nn[nH]n1 1590744526 QSPGPFOSPXDRES-UHFFFAOYSA-N 293.262 -0.030 50 20 CBGD C[C@H](CNC(=O)NNC(=O)C(=O)O)N1CCCCC1 1592676693 VWOKZIAKSSMEFX-MRVPVSSYSA-N 272.305 -0.724 50 20 CBGD COc1ccc(NNC(=O)COCC(=O)O)nc1 1594105138 FDZVCMSQOGFNCE-UHFFFAOYSA-N 255.230 -0.366 50 20 CBGD O=C(NNC(=O)[C@@H](C(=O)O)C1CC1)c1ccccn1 1594779157 JZILDUGGNFIVBT-VIFPVBQESA-N 263.253 -0.047 50 20 CBGD Cn1cc(C(=O)NNc2ccc(C(=O)O)cn2)nc1O 1600932114 KCGVINZUGVPGSH-UHFFFAOYSA-N 277.240 -0.024 50 20 CBGD O=C(O)c1cnc(C(=O)NN=c2cc[nH]cc2)cn1 1602509162 RMEHKHNZBZIXHG-UHFFFAOYSA-N 259.225 -0.251 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@@H](C(=O)O)C1CC1 1605723849 RXLXJTVJUAVGCI-NSHDSACASA-N 277.280 -0.118 50 20 CBGD CCSC1(CNC(=O)NNC(=O)C(=O)O)CC1 1605737015 AGVGVMDJZBVJFH-UHFFFAOYSA-N 261.303 -0.313 50 20 CBGD O=C(Cc1ccccn1)NNC(=O)c1cc(C(=O)O)on1 1608368164 GRJVSTGAONHSRV-UHFFFAOYSA-N 290.235 -0.229 50 20 CBGD O=C(N[C@@H](CC(F)F)C(=O)O)c1ccc(B(O)O)cc1 1608390109 IBZYXKZJUCKFKB-QMMMGPOBSA-N 287.027 -0.795 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)COc1ccccc1 48375718 WFASYAXESYCKRV-UHFFFAOYSA-N 279.296 -0.263 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cnsn2)n1 48723538 WCTIOPZIHFUIMA-UHFFFAOYSA-N 280.313 -0.187 50 20 CBGD COCCOCCC(=O)NNC(=O)c1cccnc1 63262973 GVIRTJPGOQBMEI-UHFFFAOYSA-N 267.285 -0.104 50 20 CBGD O=C(Cn1cnnn1)NNC(=O)c1cccc2ncccc12 106811653 VXWRDSUKVQKYKQ-UHFFFAOYSA-N 297.278 -0.318 50 20 CBGD CCOC(=O)NCC(=O)NNc1nccc(OC)n1 146948381 VSCPFVMSAZPWIE-UHFFFAOYSA-N 269.261 -0.326 50 20 CBGD CCc1ccc(OCC(=O)NNC(=O)CO)cc1 180945739 GKTWBVXXPWAUDK-UHFFFAOYSA-N 252.270 -0.233 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ccoc2)CC1 278569451 IIBVYTFZLLFRPN-UHFFFAOYSA-N 252.274 -0.119 50 20 CBGD CC(=O)NNC(=O)c1cnn(C)c1Br 307123985 YCMGZEHQCITXQZ-UHFFFAOYSA-N 261.079 -0.037 50 20 CBGD COC(=O)[C@@H](O)CNC(=O)/C(C#N)=C\c1ccc(O)cc1 491174845 JBAQBRRHHMEOTI-GYGFLDJKSA-N 290.275 -0.051 50 20 CBGD CC(=O)NNC(=O)CNC(=O)OCC(F)(F)F 495326641 OQHWYGGIOAEJKM-UHFFFAOYSA-N 257.168 -0.558 50 20 CBGD CC[C@@H](CCO)CNC(=O)c1ccc(B(O)O)c(F)c1 584956947 AKPUZTBIJKUFPK-VIFPVBQESA-N 283.108 -0.356 50 20 CBGD C[C@H](CCCO)NC(=O)c1ccc(B(O)O)cc1 584958235 NFYZHYDDOWBTIH-SECBINFHSA-N 251.091 -0.743 50 20 CBGD COC[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C1CC1 584966018 XXONAASVHHLMHT-GFCCVEGCSA-N 281.092 -0.340 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCOCC12CCC2 584966034 YNOSPLBCGHCOSQ-UHFFFAOYSA-N 275.113 -0.239 50 20 CBGD CO[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(B(O)O)cc1 584970495 CWUNYHPJHJFVGT-DGCLKSJQSA-N 277.129 -0.089 50 20 CBGD CN1CC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2C1 584972374 VCIWHELQQGQLNP-SMDDNHRTSA-N 288.156 -0.467 50 20 CBGD CC1(C)OCC[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584994633 BZVJOGPJKWGBAD-NSHDSACASA-N 281.092 -0.197 50 20 CBGD COC[C@]1(NC(=O)c2cc(B(O)O)ccc2F)CCOC1 584997991 NERUSXQKPYVUJL-CYBMUJFWSA-N 297.091 -0.959 50 20 CBGD COCCOCCNCc1ccccc1B(O)O 585018861 VIEKWYZAHKEHIF-UHFFFAOYSA-N 253.107 -0.881 50 20 CBGD COc1ccc(O[C@@H](C)C(=O)NCB(O)O)cc1 585060179 AREHGEJCHLZLDC-QMMMGPOBSA-N 253.063 -0.409 50 20 CBGD O=C(CN1[C@H]2CC[C@H]1CNC2)NNC(=O)c1cccs1 723842648 JDIOJPLQJHODKZ-UWVGGRQHSA-N 294.380 -0.055 50 20 CBGD Cc1nccn1CCCC(=O)NNC(=O)C(=O)NC(C)C 727646105 IXOKZPIZQRIMRZ-UHFFFAOYSA-N 295.343 -0.356 50 20 CBGD Cn1cc(S(=O)(=O)NNC(=O)C2CCC2)cn1 732047987 OKGZTUDSQWDSKY-UHFFFAOYSA-N 258.303 -0.470 50 20 CBGD COc1nccnc1NNC(=O)CS(=O)(=O)C(C)C 764466027 SJSAVPBZOYGHQY-UHFFFAOYSA-N 288.329 -0.249 50 20 CBGD CN(NC(=O)c1ccccc1-n1cnnn1)C(N)=O 770436304 CLIAMICRRZOKHE-UHFFFAOYSA-N 261.245 -0.682 50 20 CBGD CCC[C@@](C)(O)C(=O)NNC(=O)N1CCOCC1 770949872 YFBNOZLPOLTARM-LLVKDONJSA-N 259.306 -0.390 50 20 CBGD CCOc1nc(C(=O)NNC(=O)C(=O)N2CCCC2)co1 772639847 KFGUJWGTIJZJTQ-UHFFFAOYSA-N 296.283 -0.543 50 20 CBGD O=C(NNC(=O)c1nc[nH]n1)c1cccc([N+](=O)[O-])c1 773255785 LQNZMKQYWAMJNZ-UHFFFAOYSA-N 276.212 -0.212 50 20 CBGD CC(C)(CO)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 776318283 UIPGZEFCCOQRGJ-LLVKDONJSA-N 294.307 -0.008 50 20 CBGD Cn1cc([C@@H](CO)NC(=O)NNC(=O)C(C)(C)C)cn1 778660439 MURXNHGPNUFTCK-SECBINFHSA-N 283.332 -0.170 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)NCc1ccco1 780907523 JVLPXTXDNNOACS-UHFFFAOYSA-N 268.273 -0.364 50 20 CBGD C#CCOCCNC(=O)NNC(=O)Cc1cccnc1 784289242 HGDCUFWGAHLTMD-UHFFFAOYSA-N 276.296 -0.396 50 20 CBGD C[C@]1(O)CCCN(CC(=O)NNC(=O)C2CC2)CC1 791627083 BDRAQXVKFQZXBL-ZDUSSCGKSA-N 269.345 -0.219 50 20 CBGD Cn1cncc1CCC(=O)NNC(=O)N1CCOCC1 793275134 WLDCEKRTZCZIRI-UHFFFAOYSA-N 281.316 -0.574 50 20 CBGD CC(C)(C)C(=O)NNC(=O)N1CC[C@@H](CC(N)=O)C1 808268711 XEXWTCMXBPNEIU-QMMMGPOBSA-N 270.333 -0.029 50 20 CBGD COCCCNC(=O)NNC(=O)C[C@H]1CCCC(=O)N1 813423876 BKNUWTZDNIRJJL-SECBINFHSA-N 286.332 -0.588 50 20 CBGD COc1cccc(NNC(=O)COCc2nncn2C)n1 816013881 FGXJUUDNMCRDEJ-UHFFFAOYSA-N 292.299 -0.121 50 20 CBGD CN(NC(=O)c1coc(S(N)(=O)=O)c1)C1CC1 819649978 CFIVIZNBBMWYJO-UHFFFAOYSA-N 259.287 -0.334 50 20 CBGD COC(OC)C(=O)NNc1nc2ccccn2n1 822383696 GJXPYOWOPAXJDE-UHFFFAOYSA-N 251.246 -0.209 50 20 CBGD CC(=O)OC(C)(C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843970791 LGQCGCCPAGDVEO-VXNVDRBHSA-N 272.301 -0.100 50 20 CBGD COc1cccc(NNC(=O)[C@H]2CCS(=O)(=O)N2)n1 845927466 OSXRKEDISYQJIO-SSDOTTSWSA-N 286.313 -0.775 50 20 CBGD CCCNC(=O)NNC(=O)c1ccn(CCN(C)C)n1 847392938 BPVGKNPPWVMXHU-UHFFFAOYSA-N 282.348 -0.201 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)C)Cc1cn(C)nn1 852553177 NBDUZVLERINFNB-UHFFFAOYSA-N 282.348 -0.560 50 20 CBGD C=C[C@](C)(O)C(=O)NN(C)C(=S)NCCCOC 854285929 JTXPBUKQUBDDJR-NSHDSACASA-N 275.374 -0.203 50 20 CBGD CCCNC(=O)CCC(=O)NN(C)C(=S)NC 854924310 UIRJMAQOMIDMCB-UHFFFAOYSA-N 260.363 -0.240 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNc1ccncn1 857520647 HEJYPNYGLXEGDC-SECBINFHSA-N 251.290 -0.360 50 20 CBGD C=C[C@](C)(CCOC)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862459786 BDQNOWPWAIAAPG-TVQRCGJNSA-N 283.328 -0.359 50 20 CBGD CCC[C@](C)(NC(=O)c1ccc(B(O)O)cc1)C(=O)OC 863871333 JJKXUQNAYCKWGU-AWEZNQCLSA-N 293.128 -0.172 50 20 CBGD CCCOC(=O)CCNC(=O)c1cc(B(O)O)ccc1F 863874767 ZISUQCUJLXCDRO-UHFFFAOYSA-N 297.091 -0.421 50 20 CBGD COC(=O)[C@H](CC1CC1)NC(=O)c1ccc(B(O)O)cc1 863885800 OXULTYZDAVUMHK-LBPRGKRZSA-N 291.112 -0.562 50 20 CBGD CCOC(=O)N[C@@H](C(=O)N1CC[C@@H](B(O)O)C1)C(C)C 864234583 SZNPLYJDAVUTID-NXEZZACHSA-N 286.137 -0.168 50 20 CBGD Cc1cc(C(=O)NNC(=O)/C=C\CN2CCOCC2)n[nH]1 867067990 CHUHYCVXXKCZRM-IHWYPQMZSA-N 293.327 -0.632 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)N1 875395143 IDDUTJJUKFGSEH-WFADCGHZSA-N 292.339 -0.360 50 20 CBGD CNC(=O)[C@H]1CCC[C@H]1NC(=O)NN(C)C(=O)OC 875437079 LRGMLIXOYGNDLF-JGVFFNPUSA-N 272.305 -0.187 50 20 CBGD COC(=O)N(C)NC(=O)NC[C@@H]1CCCNC1=O 875664039 CHFMLVUKZUOGBC-ZETCQYMHSA-N 258.278 -0.575 50 20 CBGD C=CC(=O)N(CC)CC(=O)NNC(=O)C1CCC1 900657566 AAINANZNFFCHIF-UHFFFAOYSA-N 253.302 -0.032 50 20 CBGD Cc1ncc(C(=O)NNC(=O)c2cnn(C)c2)n1C 900747945 WUSIQWYYZAPFGW-UHFFFAOYSA-N 262.273 -0.463 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)C2CCCCC2)N1 913597101 RCYDDSKTFDWORM-VIFPVBQESA-N 253.302 -0.007 50 20 CBGD C[C@H](C(=O)NNC(=O)CN1CCCC1=O)n1cccn1 920436082 VNUPJUNSQQBAHP-SECBINFHSA-N 279.300 -0.786 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cnn(CC(F)F)c1 1116596349 QVJJZEVDKLTCLK-UHFFFAOYSA-N 289.242 -0.356 50 20 CBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNc1ccccn1 1117006827 JOOUPSQKUVYEDI-UHFFFAOYSA-N 295.324 -0.176 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(C#N)cn1 1117750918 MQHFHHPFKXFLLS-UHFFFAOYSA-N 290.283 -0.416 50 20 CBGD CC[S@@](=O)CCNC(=O)NNC(=O)c1cn[nH]c1 1118860282 LMKZDJIMWAIUPP-GOSISDBHSA-N 273.318 -0.878 50 20 CBGD O=C(NNC(=O)C1CCC1)C(=O)Nc1cnn(CCF)c1 1118871161 HVMXOZMTNZBHGP-UHFFFAOYSA-N 297.290 -0.261 50 20 CBGD O=C(CCCn1cncn1)NNC(=O)Cc1cc[nH]n1 1262152969 NAFZPMDAVGHKNE-UHFFFAOYSA-N 277.288 -0.829 50 20 CBGD CC(=O)N1CC[C@](C)(C(=O)NNC(=O)Cc2cc[nH]n2)C1 1320106364 HQWDRMKGYKGSHB-ZDUSSCGKSA-N 293.327 -0.642 50 20 CBGD CN(C)N(C(=O)CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1324128315 MKNHSUDMCHJODF-SECBINFHSA-N 278.374 -0.360 50 20 CBGD CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1csnn1 1324473255 GXAAVOPAYKWOFS-UHFFFAOYSA-N 294.296 -0.178 50 20 CBGD NC(=O)C(=O)NN=Cc1ccc(N2CCC(O)CC2)cc1 1327657908 HIWMJLRACIACPZ-UHFFFAOYSA-N 290.323 -0.417 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H](C)Cc1cnn(C)c1 1332169713 DEPNLCPTUAFSKW-JTQLQIEISA-N 298.343 -0.591 50 20 CBGD C[C@H](CCCN)NC(=O)NNC(=O)C1CCOCC1 1575952197 MTZCYAFPDPMTFF-SECBINFHSA-N 272.349 -0.129 50 20 CBGD C[C@H]1CCN[C@@H](C(=O)NNC(=O)c2cnsn2)C1 1576745295 QHPWCUOQYXLAQW-NKWVEPMBSA-N 269.330 -0.313 50 20 CBGD NCCNC(=O)NNC(=O)C[C@@H]1NC(=O)c2ccccc21 1580311118 HHQDMQGUSCKJIF-JTQLQIEISA-N 291.311 -0.850 50 20 CBGD CC(=NNC(=O)[C@@H]1CC[C@H](C)O1)c1cn(CC(=O)O)nn1 1589012598 VOLPEQZZZCJXGD-XVKPBYJWSA-N 295.299 -0.230 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C(=O)O)C(C)C 1589424977 LBHGPVTXYHCNRH-CBAPKCEASA-N 288.300 -0.168 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccc(-c2nn[nH]n2)cc1 1590001241 UZYITMRTDVJFAU-QMMMGPOBSA-N 276.300 -0.176 50 20 CBGD O=C(O)CCCNC(=O)c1cc(B(O)O)ccc1F 1601991798 JAXPSUWJNTVNLF-UHFFFAOYSA-N 269.037 -0.900 50 20 CBGD O=C(O)CN(CCN1CCOCC1)C(=O)CCl 1602054817 DNUDNQYFZWJYSI-UHFFFAOYSA-N 264.709 -0.529 50 20 CBGD O=C(O)CSCCC(=O)NNC(=O)C1CCOCC1 1602098598 JWRQPOQJCDGPGV-UHFFFAOYSA-N 290.341 -0.232 50 20 CBGD COC(=O)CCCN1CCC(=NNC(=O)C(=O)O)CC1 1606452980 LRVAGDHNGBAPAN-UHFFFAOYSA-N 285.300 -0.408 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)N2CCOCC2)CC1 266827806 JLEBRDGANILZAB-UHFFFAOYSA-N 285.300 -0.597 50 20 CBGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)NC(C)C 268506722 YOOUNARJCZIMLU-UHFFFAOYSA-N 282.300 -0.399 50 20 CBGD CNS(=O)(=O)CCNC(=O)NN(C)c1ccccc1 275912699 WNHTVBZVLFHTRY-UHFFFAOYSA-N 286.357 -0.114 50 20 CBGD CCS(=O)(=O)NCC(=O)NNc1cccc(F)n1 286693189 XSCHAEOWGVMJIM-UHFFFAOYSA-N 276.293 -0.397 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)Cn1cc(Cl)cn1 291486499 RYWCMDUGGMYLPO-UHFFFAOYSA-N 287.707 -0.792 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NNC(=O)c1ccncc1 298329886 YNYGQCBRNKTXGB-NSHDSACASA-N 292.339 -0.189 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1 298678942 DPBAKCFBDOKMTL-UHFFFAOYSA-N 265.269 -0.273 50 20 CBGD COC(=O)N(C)NC(=O)C1=C(C)N(C)c2nnnn2[C@@H]1C 496489011 IAIUUIHUIVLCOO-SSDOTTSWSA-N 295.303 -0.313 50 20 CBGD C[C@]1(CCC(=O)Nc2cccc(B(O)O)c2)CCC(=O)N1 584913221 RLVMZLOPFVGKRL-AWEZNQCLSA-N 290.128 -0.246 50 20 CBGD CCN(CC)CCCNC(=O)c1ccc(B(O)O)cc1 584924614 KMDSLCUVFPNNKF-UHFFFAOYSA-N 278.161 -0.172 50 20 CBGD CCOCCN(CC)C(=O)c1cccc(B(O)O)c1 584943881 LKWRXIXKDJJETA-UHFFFAOYSA-N 265.118 -0.135 50 20 CBGD CC[C@](C)(CNC(=O)c1ccc(B(O)O)cc1)OC 585000715 ZQVNGBXPINWVDW-CYBMUJFWSA-N 265.118 -0.089 50 20 CBGD C[C@H]1CCCN(CCNCc2ccc(B(O)O)o2)C1 585015873 NWBUPKKBJVTEFJ-NSHDSACASA-N 266.150 -0.219 50 20 CBGD Cc1cn2c(n1)CC[C@@H](NCc1ccccc1B(O)O)C2 585019985 MBOCTRLOXOVPEO-CYBMUJFWSA-N 285.156 -0.024 50 20 CBGD CC(C)C[C@H](O)CNCc1ccccc1B(O)O 585024759 BZUDFFCHMUZBSK-LBPRGKRZSA-N 251.135 -0.137 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1)c1cnn(C)c1 585025174 NOYBPJUHTUGGCH-JTQLQIEISA-N 259.118 -0.049 50 20 CBGD C[C@@H]1OCC[C@H]1NCc1ccc(B(O)O)cc1F 585032609 XBCPOFIPIBZFAQ-QPUJVOFHSA-N 253.082 -0.228 50 20 CBGD Cc1ccc(CCNCc2ccc(B(O)O)o2)nc1 585044751 SACCQUQSUAAJPI-UHFFFAOYSA-N 260.102 -0.005 50 20 CBGD O=C(NCB(O)O)c1cnc(-c2ccccn2)s1 585061695 XXKSUTKJNCBPGE-UHFFFAOYSA-N 263.087 -0.053 50 20 CBGD CN(C)c1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cn1 585069239 JZYXAXNGUVZUJW-SNVBAGLBSA-N 263.106 -0.164 50 20 CBGD NC(=O)NCCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 725869709 ZXLSFVNIWLFJST-UHFFFAOYSA-N 295.255 -0.586 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccncc1 728436656 HVOOONVJBMWVCL-MRVPVSSYSA-N 270.314 -0.531 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](CN(C)C)C1 733995845 GJEGANJLBLPJSW-QWRGUYRKSA-N 270.377 -0.184 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)C1=COCCO1 751212975 ZYVYWJOGXIBYDY-UHFFFAOYSA-N 295.251 -0.955 50 20 CBGD O=C(CO)NNC(=O)Nc1nnc(-c2ccco2)s1 756027910 DHERQACUBWKQLO-UHFFFAOYSA-N 283.269 -0.057 50 20 CBGD COCCC1(C(=O)NNC(=O)C(=O)NC2CC2)CCC1 760305884 VUOWUWFMHCHBPG-UHFFFAOYSA-N 283.328 -0.381 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C2(NC(N)=O)CC2)o1 767362002 DXQSIUZTOTWXOL-UHFFFAOYSA-N 266.257 -0.450 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C1(C(N)=O)CC1 772109584 LJHIGTFXWIOZLP-QMMMGPOBSA-N 299.327 -0.623 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)COC1(C)CCC1 773262561 VNABWFBIAJXTDQ-UHFFFAOYSA-N 271.317 -0.382 50 20 CBGD COCCCNC(=O)NNC(=O)c1c[nH]c(C#N)c1 778649445 JCKRJZKFOQFNOT-UHFFFAOYSA-N 265.273 -0.133 50 20 CBGD Cn1ccc(CC(=O)NNC(=O)c2ccncc2)n1 782552142 KPFFDXDZBBKKQB-UHFFFAOYSA-N 259.269 -0.181 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1CCc2nccn2C1 786846200 WVIAKKOWCKTVON-QMMMGPOBSA-N 251.290 -0.252 50 20 CBGD CCOCC(=O)NNC(=O)NCc1ccc(C)n(C)c1=O 787339251 HDQFVAVCGNYXQJ-UHFFFAOYSA-N 296.327 -0.439 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@]1(O)CCSC1 802025434 GNKAMOLWXAOFRJ-NSHDSACASA-N 282.325 -0.476 50 20 CBGD C=C[C@@H](O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 816814342 OGUXINKCCJEODZ-KCJUWKMLSA-N 278.264 -0.479 50 20 CBGD CCC(=O)NNS(=O)(=O)CCOCC1CC1 818047415 NEMRFONUJHZAFT-UHFFFAOYSA-N 250.320 -0.226 50 20 CBGD COCC(=O)NNC(=O)Nc1ccc2c(c1)CCNC2=O 824316821 PWIJDRYORNKLQU-UHFFFAOYSA-N 292.295 -0.228 50 20 CBGD CC[S@](=O)CCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 826025122 SRHPLGBKPHTOOE-OWXODZSWSA-N 291.373 -0.490 50 20 CBGD Cc1[nH]c(C#N)cc1C(=O)NNC(=O)N1CCN(C)CC1 830240664 IOQAJDREZRWYDI-UHFFFAOYSA-N 290.327 -0.203 50 20 CBGD CO[C@H](C)CS(=O)(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 842589793 LCZNNAJHDGFJAK-IWSPIJDZSA-N 280.346 -0.603 50 20 CBGD COC(=O)C12CC(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)(C1)C2 843658414 KIFJCPHVVLKFGP-YEIXAPTMSA-N 296.323 -0.098 50 20 CBGD COCC1(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1 843659690 IOWJMXHMXSAXLL-RKDXNWHRSA-N 256.302 -0.015 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)NCCn2cnnn2)cn1 845793340 GKCVSWCBZKXSKF-ONNFQVAWSA-N 272.272 -0.870 50 20 CBGD CNC(=S)N(C)NC(=O)c1cnn2c1CCC2 854927264 ASZMEIONXFQGKZ-UHFFFAOYSA-N 253.331 -0.090 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H](CC(C)C)C(N)=O 854927888 SOABAYBYFGEUJY-SSDOTTSWSA-N 260.363 -0.399 50 20 CBGD CNC(=S)N(C)NC(=O)c1cnc(C)nc1N 854929056 XGDQGHLEMDULPY-UHFFFAOYSA-N 254.319 -0.552 50 20 CBGD CC(=O)NCC(=O)NNC(=S)N[C@@H](C)C1CC1 855104582 QYLQXBYOHYSLOZ-LURJTMIESA-N 258.347 -0.584 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21 857109554 MLNIMPFRBPUTON-HBNTYKKESA-N 296.371 -0.610 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC[C@@H]2C2CC2)N1 858698706 ZCAONBUQGAUZHU-NXEZZACHSA-N 280.328 -0.120 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnc2ccnn12 862094658 OMRXGIAEORAOIT-IUCAKERBSA-N 289.295 -0.085 50 20 CBGD COCC(=O)N(C)CC(=O)NN[C@@H](C)C(F)(F)F 862314507 CWXIPTAVZIJHBI-LURJTMIESA-N 271.239 -0.337 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1CSCCS1 863462168 JOZJIVHVTUDFDJ-LURJTMIESA-N 298.411 -0.973 50 20 CBGD CC[C@@H](C(=O)NNC(=O)Cc1cc(C)[nH]n1)N(C)C 869014979 ZKIJOJRIUOSZAC-JTQLQIEISA-N 267.333 -0.252 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](C)N(C)C)n1 873803704 QCPOAQSBKVUFOF-SNVBAGLBSA-N 267.333 -0.403 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc(O)cc1F 913732272 OXMRWKDZHMPSOK-UHFFFAOYSA-N 295.270 -0.085 50 20 CBGD CC(C)(C)C(=O)NNC(=O)[C@H]1CCCN1S(C)(=O)=O 917182681 SYCDOBFBEHABAD-MRVPVSSYSA-N 291.373 -0.396 50 20 CBGD CNC(=O)NNC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12 930584245 IUZQLSHPYWSBSY-OQPBUACISA-N 274.280 -0.143 50 20 CBGD O=C1CSC[C@@H](C(=O)NNC(=O)C2CCC2)N1 932516096 BJGZADNUZLWRJH-ZETCQYMHSA-N 257.315 -0.835 50 20 CBGD COC(=O)C(=O)NN=Cc1cn(Cc2cccnc2)nn1 1116547853 MTMRCRPBCCWQJX-UHFFFAOYSA-N 288.267 -0.656 50 20 CBGD COC(=O)C(=O)NN=C1CC(=O)N2CCCC[C@H]12 1116920744 IPFAEZVZUMINAR-MRVPVSSYSA-N 253.258 -0.584 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CCCS(=O)(=O)C1 1118303956 RAKSMCDQMJZCMP-SSDOTTSWSA-N 263.319 -0.886 50 20 CBGD COC(=O)/C=C(\C)COc1ccc(B(O)O)cc1 1262191560 ZULMCQXMTHAGIU-VQHVLOKHSA-N 250.059 -0.136 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)no1 1319987940 SEPZDNYAHOVVHW-SSDOTTSWSA-N 287.297 -0.821 50 20 CBGD Cn1c(C(=O)NNC(=O)NCC2CC2)cccc1=O 1323025020 SNBXNFXMZIBXOS-UHFFFAOYSA-N 264.285 -0.261 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCSC(F)(F)F 1323431701 HPDLCSVIRBBSHN-UHFFFAOYSA-N 289.235 -0.257 50 20 CBGD O=C(CN1CC[C@@H](O)C12CCCC2)NNC(=O)C1CC1 1324190308 ZFVRBNIUBZHSEB-LLVKDONJSA-N 281.356 -0.077 50 20 CBGD O=C(CN1CCC(=O)NC1=O)NNC(=O)CC(F)(F)F 1327752499 QFDNTZKDSODXMI-UHFFFAOYSA-N 296.205 -0.972 50 20 CBGD O=C(NN=c1cc[nH]cc1)c1cnc2n(c1=O)CCS2 1342038192 UTVUVCMEWBLNNF-UHFFFAOYSA-N 289.320 -0.077 50 20 CBGD Cc1nn[nH]c1C(=O)NNC(=O)COc1ccccc1O 1344631350 YTTZGKSOTIQUDT-UHFFFAOYSA-N 291.267 -0.341 50 20 CBGD CC1(C#N)CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 1348122474 IEWDESLNSOHOKN-SECBINFHSA-N 293.327 -0.369 50 20 CBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(OC)n[nH]1 1348343289 IYNLQURECGHSEP-LURJTMIESA-N 283.288 -0.450 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1C[C@H]1c1cncn1C 1348957024 ZENNFNSPPSMUOW-IVZWLZJFSA-N 252.318 -0.133 50 20 CBGD COc1cccc(NNC(=O)[C@]2(C)C[C@@H](O)CN2)n1 1574041319 GEEOFSWBBTZPIX-PELKAZGASA-N 266.301 -0.354 50 20 CBGD C[C@H](N)C1(C(=O)NNC(=O)c2ccc[nH]2)CCOCC1 1576109981 WJPGLWJPYYVJFM-VIFPVBQESA-N 280.328 -0.080 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@H]1C(=O)O)[C@@H]1CCCCO1 1601556278 VOSZASLRKZZOPM-RNJXMRFFSA-N 256.258 -0.576 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@]1(C(=O)O)C[C@H]1C 1603479470 BUIMIHNUMRUPLX-ASSXTNMASA-N 270.285 -0.330 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2CC[C@@H](CCC(=O)O)O2)n1C 1608019619 ZPHKDWHBPWDJQE-DTWKUNHWSA-N 297.315 -0.021 50 20 CBGD N#CC1=CCN(S(=O)(=O)c2n[nH]cc2C(=O)O)CC1 1608178529 LZELDEHSQNISSS-UHFFFAOYSA-N 282.281 -0.048 50 20 CBGD CCCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 48952813 QALUDJHXTYGDCX-ZETCQYMHSA-N 263.319 -0.696 50 20 CBGD CN1N=C(C(=O)NNC(=O)c2ccc(C#N)cc2)CCC1=O 61465270 FFNDERDBVNYAFV-UHFFFAOYSA-N 299.290 -0.073 50 20 CBGD CC[C@@H]1COCCN1CC(=O)NNC(=O)C1CC1 115577154 WGATZRYMEAKLMF-SNVBAGLBSA-N 255.318 -0.345 50 20 CBGD CCN1CCC[C@@H]1CNC(=S)NNC(=O)NC 138946109 ADRIVQOXQOLSJC-MRVPVSSYSA-N 259.379 -0.221 50 20 CBGD CCS(=O)(=O)CC(=O)NNc1cc(C)nc(C)n1 172373692 BJBAVLCURYYOEE-UHFFFAOYSA-N 272.330 -0.029 50 20 CBGD O=C(NCCNC(=O)C1CC1)NNC(=O)C1CCC1 264748591 QTAZKYINVFBSOW-UHFFFAOYSA-N 268.317 -0.357 50 20 CBGD O=C(C=C1CCC1)NNC(=O)C(=O)N1CCCC1 267948565 FRTPQMQNUIYBGW-UHFFFAOYSA-N 251.286 -0.134 50 20 CBGD O=C(NCc1ccco1)NNC(=O)[C@@]1(O)CCSC1 270813354 MKPACWXAIOYLTN-LLVKDONJSA-N 285.325 -0.022 50 20 CBGD CCN(C)C(=O)CNC(=O)NNC(=O)CC(C)C 274756708 GFQFGHOOEMCVOP-UHFFFAOYSA-N 258.322 -0.159 50 20 CBGD O=C(Cn1cnnn1)NNc1nccnc1C1CCC1 287294992 UYSJRJGCUGDPMY-UHFFFAOYSA-N 274.288 -0.126 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1cccc(Cl)n1 293608259 DOJJIDAVQYMTIH-UHFFFAOYSA-N 278.721 -0.273 50 20 CBGD O=C(CC1CCCC1)NNC=C1C(=O)NC(=S)NC1=O 299589899 DGQFYTZKTIEZHB-UHFFFAOYSA-N 296.352 -0.398 50 20 CBGD CC(=O)NNS(=O)(=O)c1cc(C(=O)O)cs1 381276056 WYADJHLGPOCEGY-UHFFFAOYSA-N 264.284 -0.224 50 20 CBGD CC[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)CCO1 584926934 HVWMTNFSTBMKSX-GFCCVEGCSA-N 263.102 -0.383 50 20 CBGD COC[C@@H](C)CNC(=O)c1ccc(B(O)O)cc1 584935427 KDYKSHPCAJEBIJ-VIFPVBQESA-N 251.091 -0.621 50 20 CBGD O=C(NC[C@H](O)C(F)(F)F)c1cccc(B(O)O)c1 584959356 BCGJBBSCJFUVPT-QMMMGPOBSA-N 277.007 -0.981 50 20 CBGD CO[C@H]1CCC[C@@H]1CNC(=O)c1ccc(B(O)O)cc1 584970500 CWUNYHPJHJFVGT-YPMHNXCESA-N 277.129 -0.089 50 20 CBGD C[C@@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)[C@H]1CO 584971124 XRPLCHUHUMMECW-RNCFNFMXSA-N 295.119 -0.262 50 20 CBGD O=C(N[C@@H]1CCCOC1)c1ccc(B(O)O)c(F)c1 584981514 XVBRSAJXNTZWHX-SECBINFHSA-N 267.065 -0.586 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O 584987009 QGJSIFRXZBNSPN-SAUGFPQOSA-N 287.124 -0.792 50 20 CBGD O=C(NCC1=CCCOC1)c1cc(B(O)O)ccc1F 584989699 IDZNXJASBFXLMK-UHFFFAOYSA-N 279.076 -0.418 50 20 CBGD CCC1(CNC(=O)c2cc(B(O)O)ccc2F)COC1 584996263 CLBXJYAXQNPLRH-UHFFFAOYSA-N 281.092 -0.338 50 20 CBGD CC[C@@H](O)[C@@H](CC)NC(=O)c1cc(B(O)O)ccc1F 584996539 KDGNILPTSXOQRA-VXGBXAGGSA-N 283.108 -0.215 50 20 CBGD C[C@@H](O)[C@H]1CCCN1C(=O)c1cccc(B(O)O)c1 585008518 WGBZPYCIGFLGIJ-BXKDBHETSA-N 263.102 -0.648 50 20 CBGD O=C1CCCCCN1CCCNCc1ccc(B(O)O)o1 585013859 ADPZPHNRBBDRSX-UHFFFAOYSA-N 294.160 -0.158 50 20 CBGD COc1ccc([C@H](CO)NCc2ccc(B(O)O)o2)cc1 585022810 AFBCJUHPKOVFMR-ZDUSSCGKSA-N 291.112 -0.209 50 20 CBGD C[C@@H](O)CCCNCc1ccc(B(O)O)cc1F 585039482 VSCZEDXRNNOCNG-SECBINFHSA-N 255.098 -0.244 50 20 CBGD CC(C)C(=O)N1CCC(NCc2ccc(B(O)O)o2)CC1 585041303 NOJURQVVUPCPLR-UHFFFAOYSA-N 294.160 -0.304 50 20 CBGD C[C@@H]1CN(c2ccnc(C(=O)NCB(O)O)c2)C[C@@H](C)O1 585062879 PAEULPPFGWJHTR-NXEZZACHSA-N 293.132 -0.563 50 20 CBGD COc1ccnc(NNC(=O)C(C)(C)NC(C)=O)n1 726767784 NKHXJIXHYZXPDL-UHFFFAOYSA-N 267.289 -0.157 50 20 CBGD CCCNC(=O)CCC(=O)NNC(=O)c1c[nH]nc1C 732084526 NAOIPPMRJBFYAT-UHFFFAOYSA-N 281.316 -0.214 50 20 CBGD C[C@H](Cn1cccn1)NCC(=O)NNC(=O)C1CC1 733198992 OVUKLSFUXYDVND-SECBINFHSA-N 265.317 -0.581 50 20 CBGD CCCCNC(=O)NNS(=O)(=O)CCOC 737756821 PMKVMXCYUJAXOC-UHFFFAOYSA-N 253.324 -0.434 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)c2cccnc2)nc1 745476024 KLCRFNUOWSBYKP-UHFFFAOYSA-N 285.263 -0.350 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)CN1CCSC1=O 747326693 SSZOZLQUZUGUCE-UHFFFAOYSA-N 294.336 -0.060 50 20 CBGD C[C@H]1CN(C)CC1=NNC(=O)CN1CCCC1=O 752162609 DYEPHRDWUDZQFZ-VIFPVBQESA-N 252.318 -0.338 50 20 CBGD O=C(CO)NNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 753445557 NKZVYIPNIFHVHR-JVHMLUBASA-N 254.286 -0.479 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)C1(O)CCCC1 755289830 VLNAXVMQOVDXPW-UHFFFAOYSA-N 252.274 -0.595 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cn(C)nn1 755584180 JPFWOGLQJRPPHH-JTQLQIEISA-N 280.332 -0.767 50 20 CBGD COC(=O)CCC(C)=NNC(=O)[C@H]1CCS(=O)(=O)C1 756881380 PTBXOCZAVCOONL-VIFPVBQESA-N 290.341 -0.134 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](N2CCCC2=O)C1 761114199 MADPLSXDHNRNDP-WDEREUQCSA-N 296.371 -0.371 50 20 CBGD CC[C@H]1CN([C@@H](CC)C(=O)NNC(=O)NC)CCO1 773851105 ZTHXCCFJEXOYRL-UWVGGRQHSA-N 272.349 -0.164 50 20 CBGD C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)CBr 778117214 AJVBKRLMDFYTRL-ZCFIWIBFSA-N 285.163 -0.169 50 20 CBGD CNS(=O)(=O)CCNC(=O)NNc1ccccn1 784133231 ZOXIZOVOLFTKFG-UHFFFAOYSA-N 273.318 -0.743 50 20 CBGD CNC(=O)NNC(=O)Cn1ccc2ccccc2c1=O 790548046 UDYYYZBFJMZCDG-UHFFFAOYSA-N 274.280 -0.038 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@](C)(O)C1CC1 805578005 LRPMCPUNCQRJBR-JVXZTZIISA-N 272.301 -0.364 50 20 CBGD CCCNC(=O)NNC(=O)C[C@H](C(C)=O)C(=O)OCC 823951537 RTLPNTVSZNOIEL-SECBINFHSA-N 287.316 -0.115 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCCc2nn[nH]c21 832754185 DWVVJSYZBSAJEM-LURJTMIESA-N 267.289 -0.857 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1COCC[C@@H]1c1ccccc1 842248144 UMXGYOJCSGYQIS-VXGBXAGGSA-N 278.308 -0.054 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1cnn(C)c1 843647225 LQUCUUBIDAXJLM-SCZZXKLOSA-N 266.301 -0.465 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc2n(n1)CCCO2 843655109 HYGUKAJQWCRCCF-DTWKUNHWSA-N 294.311 -0.148 50 20 CBGD O=C(Cc1cncc(O)c1)NNC(=O)C(=O)N1CCCC1 848369366 KRLWRQSQKQCYKY-UHFFFAOYSA-N 292.295 -0.901 50 20 CBGD CO[C@@H]1COC[C@@H]1NC(=O)NNC(=O)c1cccc(F)n1 852380868 SOOBGPFMIDQLAF-DTWKUNHWSA-N 298.274 -0.422 50 20 CBGD COCCCNC(=S)N(C)NC(=O)COCCOC 854282329 VCYJBEQSVMQFNC-UHFFFAOYSA-N 293.389 -0.477 50 20 CBGD O=CN1CCC[C@H]1C(=O)NNC(=O)[C@H]1CCCCO1 854683271 NGSASXAEGJMWNR-VHSXEESVSA-N 269.301 -0.676 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)c2cccc(F)n2)CC1=O 856421578 BSCIMIQLPDLDTK-QMMMGPOBSA-N 294.286 -0.150 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H]1CC(=O)N(C2CC2)C1 858285336 KDVSPXUKMLPBQS-QMMMGPOBSA-N 292.299 -0.883 50 20 CBGD C[C@@H]1CSCCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858695726 FRJDWZNRVKJNAE-SFYZADRCSA-N 286.357 -0.557 50 20 CBGD CC(C)(C)N1C[C@@H](C(=O)NNC(=O)c2cn[nH]c2)CC1=O 862473237 KERBQFFGHXGHDZ-QMMMGPOBSA-N 293.327 -0.182 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)NN2CCOC2=O)cn1 862704869 DKHQPEHYTGXDLN-WTKPLQERSA-N 261.241 -0.190 50 20 CBGD CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862992710 HCFVFTALMZNZKX-BDAKNGLRSA-N 282.344 -0.715 50 20 CBGD CO[C@H](CS(=O)(=O)NNC(=O)c1cn[nH]c1)C(C)C 863414445 WQWXFUTZLJQMDX-SECBINFHSA-N 290.345 -0.355 50 20 CBGD CCOC(=O)[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F 864980124 CYLDGHZZOOOAMX-SSDOTTSWSA-N 283.064 -0.813 50 20 CBGD COCCOCC(=O)NN=Cc1ccc(O)nc1 872399456 COWDRGGKCXHOEJ-UHFFFAOYSA-N 253.258 -0.100 50 20 CBGD CCn1cc(C=NNC(=O)N2CCN(C)CC2)nn1 901226444 AJNIYMPJBXSFQQ-UHFFFAOYSA-N 265.321 -0.411 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CCNC(=O)C(C)(C)C 910175013 JRKKHMUXTMXYCF-SECBINFHSA-N 259.350 -0.117 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1 1116451770 IXIYSPGKJYJIFC-BQBZGAKWSA-N 292.299 -0.063 50 20 CBGD O=C(CCO)NNC(=O)Nc1ccc(-n2cccn2)nc1 1116617251 XXJYVDJWFJRAID-UHFFFAOYSA-N 290.283 -0.198 50 20 CBGD CC(=O)N[C@@H](C(=O)N1CC[C@H](B(O)O)C1)C(C)C 1118916232 MXOCGPZXBSJULQ-VHSXEESVSA-N 256.111 -0.778 50 20 CBGD O=C(C[C@@H]1CCCO1)NNC(=O)C(=O)Nc1ccccn1 1319609933 NDRWECZDYBCJKC-VIFPVBQESA-N 292.295 -0.263 50 20 CBGD CS(=O)(=O)CCCC(=O)NNC(=O)CC1CC1 1324748051 RLPXDZRAIPFBCQ-UHFFFAOYSA-N 262.331 -0.241 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1NC(=O)O[C@@H]1C 1327455629 PTRUGHPEDNHTND-PHDIDXHHSA-N 260.319 -0.613 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1ccncc1)[C@@H]1CCC(=O)N1 1328688699 DGGABGORWFYGOI-SCZZXKLOSA-N 276.296 -0.243 50 20 CBGD CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)CN1CCCC1=O 1337392839 AGIVTQJHYUWPIA-NXEZZACHSA-N 283.328 -0.429 50 20 CBGD CC(=O)NNC(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 1338502260 VQHQPJRUQRSQDI-VHSXEESVSA-N 278.268 -0.876 50 20 CBGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)Cc1cccnc1 1339856383 VERFJROORMAMIB-JTQLQIEISA-N 291.311 -0.685 50 20 CBGD CCOCCNC(=S)NNC(=O)Nc1noc(C)n1 1342046071 JNXULHIVPKWNAI-UHFFFAOYSA-N 288.333 -0.085 50 20 CBGD CC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCN2)cc1O 1575033293 IPCJVWORYOKXSE-JTQLQIEISA-N 277.280 -0.282 50 20 CBGD Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CNCCN1C 1579796689 HEAOFXCCGZAALN-ZDUSSCGKSA-N 290.367 -0.411 50 20 CBGD N[C@@H]1CCO[C@@H]1C(=O)NNC(=O)c1ccc(Cl)nc1 1580384028 RXGILKHRVITSMQ-APPZFPTMSA-N 284.703 -0.388 50 20 CBGD C[C@H](CNC(=O)NNc1ncncc1F)C(=O)O 1589056199 JKDSIHXGCAGBMO-RXMQYKEDSA-N 257.225 -0.038 50 20 CBGD Cn1nc(C(=O)O)cc1C(=O)NNC(=O)c1ccccn1 1594568572 NLSBJBWCHPLSEG-UHFFFAOYSA-N 289.251 -0.412 50 20 CBGD CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H](C)O)o1 1603694633 ZTTKPZCIOFZSKE-YFKPBYRVSA-N 281.276 -0.198 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCCC(F)(F)C1 1608478044 ROYISIAMYNQKBZ-RXMQYKEDSA-N 265.216 -0.021 50 20 CBGD O=C(Cn1cccnc1=O)NNc1ccc(C(=O)O)cn1 1610678349 URZRVFYPCNRQGZ-UHFFFAOYSA-N 289.251 -0.520 50 20 CBGD CNC(=O)NNC(=O)[C@@H](C)NC(=O)c1cccs1 48949797 CLDDCCFVGULVBK-ZCFIWIBFSA-N 270.314 -0.173 50 20 CBGD CNC(=O)NNC(=O)c1cccc(OCC(=O)OC)c1 56377315 MKBUHEHURUELNP-UHFFFAOYSA-N 281.268 -0.188 50 20 CBGD C[C@H]1CCNC(=O)[C@H]1NC(=O)NNC(=O)C(C)(C)C 193872921 ANQWYMFVNKHTCA-YUMQZZPRSA-N 270.333 -0.113 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)N2CCOCC2)[nH]1 269751596 QZHWGXHZAMVQCJ-UHFFFAOYSA-N 263.257 -0.427 50 20 CBGD NC(=O)[C@@H]1CC[C@@H](CNC(=O)NNc2ncccc2F)O1 287287203 YTHBAICLKSPAIN-CBAPKCEASA-N 297.290 -0.120 50 20 CBGD CC(=O)NNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 298193471 JZGJSSNKUIALOR-XVKPBYJWSA-N 257.315 -0.392 50 20 CBGD C[C@@H](CN1CCCCC1)NC(=O)c1ccc(B(O)O)cc1 584929569 RPNMKXQETCPPPY-LBPRGKRZSA-N 290.172 -0.029 50 20 CBGD CC1(C)CN(C(=O)c2cc(B(O)O)ccc2F)CCN1 584956508 BDTMZCHBKIGPRR-UHFFFAOYSA-N 280.108 -0.671 50 20 CBGD CC1(C)[C@H](O)C[C@H]1NC(=O)c1ccc(B(O)O)cc1 584973787 JTNFOROLZVBIBB-GHMZBOCLSA-N 263.102 -0.744 50 20 CBGD C[C@@H](CCCO)CNC(=O)c1ccc(B(O)O)cc1 584995044 IAOSYWGAEFANIT-JTQLQIEISA-N 265.118 -0.495 50 20 CBGD C[C@@H](Cn1cccn1)NCc1ccc(B(O)O)cc1 585018572 YSTBBHNFNSIWJN-NSHDSACASA-N 259.118 -0.259 50 20 CBGD C[C@H](CO)[C@H](C)NCc1ccc(B(O)O)cc1F 585025524 WJFWYZUCDYVNCW-BDAKNGLRSA-N 255.098 -0.388 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCO[C@]3(CCOC3)C2)cc1 585033835 GRESZPZJKLZDMZ-HUUCEWRRSA-N 291.156 -0.206 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc(F)cc1F 585054136 IMMNXHBOPWOTNO-UHFFFAOYSA-N 251.019 -0.745 50 20 CBGD C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCB(O)O 585056602 RCKOYEGWXCBIQS-SSDOTTSWSA-N 284.508 -0.414 50 20 CBGD O=C(NCB(O)O)C1=NN(Cc2ccccc2)C(=O)CC1 585062541 JKJZSGMZBKAALC-UHFFFAOYSA-N 289.100 -0.707 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CN1CCSC1=O 732083154 VWMDBLCGPFIMEJ-UHFFFAOYSA-N 283.313 -0.352 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1C[C@H]1C(=O)O 738827655 KGFJFJJLVRPMCU-PHDIDXHHSA-N 252.230 -0.800 50 20 CBGD Cc1ncsc1C(=O)NNC(=O)[C@@H]1C[C@@H]1C(=O)O 738893104 XUSNYIDMUOAWMS-RITPCOANSA-N 269.282 -0.067 50 20 CBGD CN1CCC[C@@H](NC(=O)NNC(=O)C2CCC2)C1=O 748662597 AFBLBTLRGHVVIT-SECBINFHSA-N 268.317 -0.262 50 20 CBGD O=C(NN=Cc1ccc(C(=O)O)[nH]1)C(=O)NC1CC1 749810336 RACKSXFGCISDQW-UHFFFAOYSA-N 264.241 -0.558 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)N[C@@H]1CCOC1 752254323 XBYZWDLIZLEVSU-SECBINFHSA-N 295.295 -0.110 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CNC2(C(N)=O)CC2)cc1 754243230 BYIMOPIOVMMHNX-UHFFFAOYSA-N 290.323 -0.636 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(OC)no1 764159435 BORHVZGGZWKEIS-UHFFFAOYSA-N 298.299 -0.251 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccccc1N(C)C 764302279 AZPYIJQYPQKWJR-UHFFFAOYSA-N 294.311 -0.515 50 20 CBGD CC(C)(C)S(=O)(=O)CC(=O)NNC(=O)NC1CC1 767326759 GZJRTTHNHZIYQC-UHFFFAOYSA-N 277.346 -0.308 50 20 CBGD COCCOc1ccccc1C(=O)NNC(=O)CO 777781304 MBPZPFCEJRBYRX-UHFFFAOYSA-N 268.269 -0.535 50 20 CBGD CN(NC(=O)c1cc([N+](=O)[O-])ccc1N)C(N)=O 787200077 WYOGZMYKXXJCRP-UHFFFAOYSA-N 253.218 -0.168 50 20 CBGD C[C@@H]1COC(=O)C1=NNC(=O)CNC(=O)c1ccco1 794906776 XRUFUSIVHVXMDW-SSDOTTSWSA-N 279.252 -0.326 50 20 CBGD COc1nccc(NC(=O)NNC(=O)c2c[nH]nc2C)n1 801725749 VOQMWUFGEARVIQ-UHFFFAOYSA-N 291.271 -0.017 50 20 CBGD CC(C)N(C)CC(=O)NNC(=O)N=c1cc[nH]cc1 802033470 YOUGRTFJFKVDKV-UHFFFAOYSA-N 265.317 -0.004 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H](C)NC(C)=O 807370440 IMPRVHCIPBXRKB-QMMMGPOBSA-N 289.332 -0.552 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCCOC1 818390668 KPVRDESIMPTHRX-GUBZILKMSA-N 256.302 -0.015 50 20 CBGD CN(NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C1CC1 819648348 AKDDOAMZSHLLRI-QMMMGPOBSA-N 263.301 -0.112 50 20 CBGD Cc1nn(C)cc1C1=NO[C@H](C(=O)NN(C)C[C@H](C)O)C1 822555865 BTVSYCRKDAYJJL-UFBFGSQYSA-N 295.343 -0.435 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CCCc2nn[nH]c21 823889386 UWTJJERTFJLRMG-QMMMGPOBSA-N 253.306 -0.430 50 20 CBGD CC(C)CN1N=C(C(=O)NN(C)[C@@H](C)CO)CCC1=O 823934075 BGGHGUDQFRTQAO-JTQLQIEISA-N 284.360 -0.035 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@H]1C)C(=O)N(C)C 825721136 JUUQLLULADPXEP-CIUDSAMLSA-N 286.332 -0.782 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CO[C@@H](C)C1 828427837 QOINILMIFBGPAU-AEJSXWLSSA-N 289.332 -0.454 50 20 CBGD O=C(NNc1ncncc1Cl)C1(n2cnnn2)CC1 832671628 KJENJTGEVUCIPV-UHFFFAOYSA-N 280.679 -0.251 50 20 CBGD Cc1cnc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cn1 843642557 XKCFJDFFNJBSHP-BDAKNGLRSA-N 264.285 -0.029 50 20 CBGD CNC(=S)N(C)NC(=O)CN1CCSC1=O 854927594 CHCJQTTXMZPMIK-UHFFFAOYSA-N 262.360 -0.378 50 20 CBGD Cc1cccc(O)c1C(=O)NNC(=O)C(=O)NC(C)C 858168311 QYIDCILRWIZVBT-UHFFFAOYSA-N 279.296 -0.014 50 20 CBGD C[C@@H](Oc1ccccn1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862462100 UPMRMGGGWZGAIP-BDAKNGLRSA-N 292.295 -0.725 50 20 CBGD O=C(C[C@@H]1CCCC(=O)N1)NNC(=O)c1cn[nH]c1 862470376 OITTZWPMZPALLZ-QMMMGPOBSA-N 265.273 -0.771 50 20 CBGD O=C1CC[C@@H](C(=O)NN=Cc2cccc(O)c2O)N1 863145262 ILRVADAOSNZPLG-QMMMGPOBSA-N 263.253 -0.174 50 20 CBGD CC1(NC(=S)NNC(=O)[C@H]2CCC(=O)N2)CCC1 863203873 LCSCXEOTQVONFH-SSDOTTSWSA-N 270.358 -0.297 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1CC=CCC1 863458727 FBNOCYTXAMLAOO-MRVPVSSYSA-N 260.315 -0.465 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCN(CC(F)F)C2)cc1 863889364 AEPWAYBSAGBVDA-LBPRGKRZSA-N 284.115 -0.205 50 20 CBGD COC(=O)[C@H]1C[C@@H](NCc2ccccc2B(O)O)C1 863892394 VPXQGEOWMZPJBU-PHIMTYICSA-N 263.102 -0.592 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@@H]1CCCNC1=O 865652822 JFUTVTSATPRMHC-SNVBAGLBSA-N 291.307 -0.018 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C=C\CN1CCOCC1 869067766 HIZLOOLZLICUIP-KRURLVKSSA-N 297.355 -0.553 50 20 CBGD COC(=O)N(C)NC(=O)NCC1([S@](C)=O)CC1 875558728 JVJMKFKQBPZMJY-KRWDZBQOSA-N 263.319 -0.190 50 20 CBGD CC[C@H](C(=O)NNC(=O)c1cccnn1)N(C)C 882057981 KPAIHXAYMGWXGG-SECBINFHSA-N 251.290 -0.422 50 20 CBGD C#CCCCC(=O)NNC(=O)CN1CCCCC1=O 887141871 MPDSBHZDPBZDQJ-UHFFFAOYSA-N 265.313 -0.050 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CC(N2CCOCC2)C1 911646265 VNHCKDLGDHYJJU-ZHACJKMWSA-N 265.313 -0.027 50 20 CBGD C[C@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)CN1CCCC1=O 913732616 CJNDPHLQSSUCSM-ZJUUUORDSA-N 295.339 -0.239 50 20 CBGD CCC(=O)NNS(=O)(=O)c1ncn(C)c1Cl 914564657 ZBDFWTXCLHCUBM-UHFFFAOYSA-N 266.710 -0.207 50 20 CBGD CCCS(=O)(=O)CC(=O)NNC(=O)C(C)C 919838680 GRCFTHFGOFHMAD-UHFFFAOYSA-N 250.320 -0.385 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)NCCCOC 920862713 XSIPLFWCJRCHAS-MRVPVSSYSA-N 274.321 -0.732 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccsc1 1252437887 BOXSXHGYFBYAIT-UHFFFAOYSA-N 257.271 -0.249 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)NO[C@H]1CCCCO1 1261790502 NHAMJYHILCOKSZ-QMMMGPOBSA-N 269.261 -0.188 50 20 CBGD NC(=O)N1CCC[C@H](C(=O)NNC(=O)C2CCC2)C1 1318404011 QKJLHIXNADVKAD-VIFPVBQESA-N 268.317 -0.275 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(COC)n1 1319336381 HXUVMFVGIVRPAC-ZCFIWIBFSA-N 287.345 -0.011 50 20 CBGD O=C(CCN1CCCC1=O)NNC(=O)Cc1ccncc1 1322266237 ANUGNWBKZBUCJS-UHFFFAOYSA-N 290.323 -0.216 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](C)Cc1cccc(O)c1 1324738370 XPKXRBMJSBKUEB-MRVPVSSYSA-N 295.295 -0.173 50 20 CBGD O=C(NNC(=O)c1cccc(F)n1)N[C@H](CO)CCF 1327587076 AEFFWJJAGCAIIX-ZETCQYMHSA-N 288.254 -0.115 50 20 CBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNC(=O)NCc2ccco2)O1 1328733504 JMIRGGUJBGKGLT-DTWKUNHWSA-N 296.283 -0.857 50 20 CBGD CCN(CCO)NC(=O)CCC(=O)N1CCC(O)CC1 1329808379 YCOZWSNRPWDKNZ-UHFFFAOYSA-N 287.360 -0.905 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F 1329835690 YDEXPLYVZADTNX-WDSKDSINSA-N 296.249 -0.397 50 20 CBGD Cc1nc(C)c(C(=O)NNC(=O)C(=O)N2CCCC2)o1 1331285904 FPHGGGSDFYDPQO-UHFFFAOYSA-N 280.284 -0.325 50 20 CBGD Cn1ncc(C(=O)NNC(=O)CN2CCCC2=O)c1Cl 1332273693 JRLQZMZFDBRVSC-UHFFFAOYSA-N 299.718 -0.543 50 20 CBGD CN(C)C(=O)CCCC(=O)NNC(=O)Cc1cc[nH]n1 1337765967 IOEVYLLDFAWWRU-UHFFFAOYSA-N 281.316 -0.642 50 20 CBGD COc1ccc(O)c(C(=O)NNC(=O)C(=O)NC(C)C)c1 1341588187 VHNTZJZZKDIHRA-UHFFFAOYSA-N 295.295 -0.314 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1nncn1C 1346001071 FKSFWPIKTXGLBX-DJLDLDEBSA-N 296.331 -0.369 50 20 CBGD Cc1cc(=O)c(C(=O)NNC(=O)C2CCOCC2)cn1C 1349787821 OTOYPYWFYHVJQD-UHFFFAOYSA-N 293.323 -0.119 50 20 CBGD CC(Cn1cncn1)=NNC(=O)[C@H]1CN2CCC[C@H]2CO1 1549318024 ZVOUDJGZIOIFPU-NWDGAFQWSA-N 292.343 -0.367 50 20 CBGD CC[C@@H](C(=O)NNC(=O)[C@H](N)CO)c1ccccc1 1573659330 CKSJMXWTGBDMLQ-GHMZBOCLSA-N 265.313 -0.353 50 20 CBGD CO[C@@H]1CN[C@@](C)(C(=O)NNc2ncc(F)cn2)C1 1573961842 VFLUCDABMRIKNT-GZMMTYOYSA-N 269.280 -0.174 50 20 CBGD O=C(NNC(=O)c1ccccn1)C1=NO[C@]2(CCNC2)C1 1580736867 AISJYUVFGURURC-CYBMUJFWSA-N 289.295 -0.649 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@H]1C(=O)O)[C@@H]1CCCCO1 1594782730 IXDWPVQRSFPXKB-YIZRAAEISA-N 270.285 -0.186 50 20 CBGD CC(C)[C@H](NC(N)=O)C(=O)NNc1ncccc1C(=O)O 1603096492 OJFFVVNNHWEHGP-QMMMGPOBSA-N 295.299 -0.084 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cncc(C(=O)O)c1 1609878777 LNIUKDGVRLGJIH-OIBJUYFYSA-N 293.279 -0.034 50 20 CBGD O=C(NNC(=O)[C@H]1COCCO1)c1ccc2c(c1)OCO2 32661163 SVRDGCRITAOJGF-LLVKDONJSA-N 294.263 -0.408 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCO1)c1cc([N+](=O)[O-])c[nH]c1=O 32742017 JHVARBWYLSCSKL-QMMMGPOBSA-N 296.239 -0.777 50 20 CBGD CC(C)NC(=S)NNC(=O)N[C@H]1CCS(=O)(=O)C1 138960718 ZVMLSMCKQCVAFM-ZETCQYMHSA-N 294.402 -0.740 50 20 CBGD Cc1cc(C(=O)NNC(=O)/C=C/CN(C)C)[nH]n1 270685848 QNLBOILIFHGEHQ-SNAWJCMRSA-N 251.290 -0.403 50 20 CBGD C=CCS(=O)(=O)CCNC(=O)NNC(=O)C(C)(C)C 272812992 HKIRVQKXWAFKJE-UHFFFAOYSA-N 291.373 -0.036 50 20 CBGD COC(=O)C1(C(=O)NNC(=O)N2CCOCC2)CC1 274513129 VIQRLYDWVYAGLP-UHFFFAOYSA-N 271.273 -0.987 50 20 CBGD CN(NC(=O)[C@H]1CC(c2cccnc2)=NO1)C(N)=O 276662528 FHHNZZRPBRXOHG-SECBINFHSA-N 263.257 -0.384 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 279896239 ZDMWSFYNPBJFHF-VIFPVBQESA-N 262.269 -0.570 50 20 CBGD COc1cc(C)nc(NNC(=O)C[C@@H]2COCCN2)n1 285802973 QPMDGPURCAUMOO-SECBINFHSA-N 281.316 -0.385 50 20 CBGD COCc1ncc(C(=O)NNC(=O)CN(C)C)s1 287667762 LBWMQZJDEPVEOK-UHFFFAOYSA-N 272.330 -0.388 50 20 CBGD CC1(Cn2cc(C(=O)NNC(=O)CC3CC3)nn2)COC1 294087924 IIHIVVDBAATMST-UHFFFAOYSA-N 293.327 -0.124 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)c2cccs2)C[C@H]1O 387899634 JTYZQTJARCRXNQ-DTWKUNHWSA-N 283.353 -0.178 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)C[C@@H]1O 388064664 QPMCDJFAZBSGEX-PWSUYJOCSA-N 277.324 -0.240 50 20 CBGD COC(=O)Cn1cc(C(C)=NN(C)C(=O)OC)nn1 495677825 SFNXQDBVBQZZNQ-UHFFFAOYSA-N 269.261 -0.127 50 20 CBGD CC[C@@H](O)CCNC(=O)c1ccc(B(O)O)cc1 584959944 MMEPYRIQFIWFBJ-LLVKDONJSA-N 251.091 -0.743 50 20 CBGD CO[C@]1(C)CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584997738 ITADYHDQNYGSPG-CYBMUJFWSA-N 281.092 -0.244 50 20 CBGD CC1(C)[C@H](NCc2ccc(B(O)O)o2)[C@@H]2CCO[C@H]21 585025194 NZNAFJZSEAERBZ-MVWJERBFSA-N 265.118 -0.138 50 20 CBGD C[C@H]1C[C@H](NCc2ccccc2B(O)O)CCN1C 585026055 BWHYTDBBFZZUNP-WCQYABFASA-N 262.162 -0.061 50 20 CBGD O=C(NCB(O)O)C(F)(F)n1cc(-c2ccccc2)nn1 585062475 JNMVFZIZUXKBNT-UHFFFAOYSA-N 296.042 -0.377 50 20 CBGD CC(C)CC(=O)NNC(=O)NCCCN1C(=O)CNC1=O 731046312 QWMSJPVTQMJTHS-UHFFFAOYSA-N 299.331 -0.695 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2CCC(=O)N2)n1 731868633 NHAQVIANBLPJII-LURJTMIESA-N 251.246 -0.793 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1C[C@H]1C(=O)O 737763082 VITZFPBOIXJDKJ-NKWVEPMBSA-N 259.262 -0.926 50 20 CBGD O=C(CN1CCC[C@H]1C(=O)O)NNC(=O)C1CC1 739282559 CYUFODWSIOXULV-QMMMGPOBSA-N 255.274 -0.907 50 20 CBGD O=C(O)CCS(=O)(=O)NNC(=O)c1ccccc1O 739742358 KHFCTVXXFYFDBW-UHFFFAOYSA-N 288.281 -0.569 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCC[C@H](C)OC 748629116 ZNBZUSHJBXFULE-VHSXEESVSA-N 291.348 -0.207 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@H]1CSCCS1 750999817 NNEXUROVWVXZSV-MRVPVSSYSA-N 291.398 -0.092 50 20 CBGD COc1cc(C)c(C=NNC(=O)C(N)=O)cc1OC 751516546 KBFQLUVPWNXSBL-UHFFFAOYSA-N 265.269 -0.052 50 20 CBGD O=C(CO)NNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 753438798 IYEMMDICHJLFKF-UHFFFAOYSA-N 289.194 -0.174 50 20 CBGD O=C(NNC(=O)N1CCOCC1)C1SCCS1 761151302 ZCIQLRVMWSQMGX-UHFFFAOYSA-N 277.371 -0.135 50 20 CBGD Cc1cc(F)ccc1NC(=O)C(=O)NNC(=O)CO 764429700 WERMCFIPGKVSFY-UHFFFAOYSA-N 269.232 -0.788 50 20 CBGD COCCCNC(=O)NNC(=O)c1cnn2ncccc12 765250596 FKWMMZVETXDXBK-UHFFFAOYSA-N 292.299 -0.290 50 20 CBGD CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1O 765483616 UILWANJADJALSL-UHFFFAOYSA-N 254.202 -0.126 50 20 CBGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccnn1C 766011253 DMMYJQDYFIMLKC-VIFPVBQESA-N 299.356 -0.370 50 20 CBGD C=Cn1cc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)cn1 773054593 LTVODDXYWUYBPT-MRVPVSSYSA-N 285.329 -0.629 50 20 CBGD Cc1nc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)no1 778066941 CPDPDPBWHUTXOH-UHFFFAOYSA-N 299.287 -0.336 50 20 CBGD CSSCCNC(=O)CN1CCS(=O)(=O)CC1 791152454 MBGAXYPZIPXEOL-UHFFFAOYSA-N 298.455 -0.156 50 20 CBGD CC(C)OCCS(=O)(=O)NCC(=O)NN(C)C1CC1 819648697 ONBSJSZHLLBOJH-UHFFFAOYSA-N 293.389 -0.544 50 20 CBGD O=C(NNC(=O)C1(n2cnnn2)CC1)C1CCCC1 821750655 LNPISWHAKMVXTH-UHFFFAOYSA-N 264.289 -0.500 50 20 CBGD CCN1C[C@H](NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1=O 826918453 VSFIAJVDNOPWGK-IVZWLZJFSA-N 298.343 -0.637 50 20 CBGD Cc1nonc1CC(=O)NNC(=O)[C@H]1CCCCO1 846233105 YGLVAWWJJNJDSS-SECBINFHSA-N 268.273 -0.363 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](COC)OC 850200382 AULNHPHIQFRTCL-JGVFFNPUSA-N 276.289 -0.863 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@@H]1CCC[C@@H]1C(=O)OC 852756121 USAZOOCPMPLVKU-KXUCPTDWSA-N 285.344 -0.136 50 20 CBGD CN(C)S(=O)(=O)NNC(=O)c1cccc(F)n1 853050976 AXULJDANNFGFPT-UHFFFAOYSA-N 262.266 -0.739 50 20 CBGD C=CCNC(=S)NNC(=O)Cc1n[nH]c(C)n1 854185596 CYEFIFXOGWABCC-UHFFFAOYSA-N 254.319 -0.663 50 20 CBGD CNC(=S)N(C)NC(=O)CNC(=O)c1ccoc1C 854922784 QPQSJWUAFVSBJL-UHFFFAOYSA-N 284.341 -0.215 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H](C)N1CCN(C)CC1 854923728 GWJWNPFBBZUHCO-VIFPVBQESA-N 273.406 -0.910 50 20 CBGD C#CCN1CCC(C(=O)NN(C)C(=S)NC)CC1 854926319 WEZZZAGIDSTOSU-UHFFFAOYSA-N 268.386 -0.201 50 20 CBGD Cc1occc1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858157485 XORQWHHJRWPYCW-SECBINFHSA-N 280.284 -0.303 50 20 CBGD C[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C[C@@H]1C 858696062 IBKMTFDLZZLVGB-YIZRAAEISA-N 268.317 -0.406 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cccc(F)c2)N1 862448310 CIVFNAJWICNUKI-SECBINFHSA-N 265.244 -0.135 50 20 CBGD O=C(CC[C@@H]1CCOC1)NNC(=O)c1cn[nH]c1 862472853 UUPPZVKLDFHYNG-MRVPVSSYSA-N 252.274 -0.013 50 20 CBGD COCCOCC(=O)NNC(=O)CC1CCN(C)CC1 869907290 HQDYCBWLNDOJKQ-UHFFFAOYSA-N 287.360 -0.471 50 20 CBGD COC[C@]1(C(=O)NNc2nc(C)cc(C)n2)CNCCO1 876544195 PTCFFOKEYUGXNW-ZDUSSCGKSA-N 295.343 -0.458 50 20 CBGD COC(=O)NCC(=O)NNC(=S)NC(C)(C)C 899992165 PJEWIIQEBNRABD-UHFFFAOYSA-N 262.335 -0.364 50 20 CBGD C[C@H](NC(=O)C(C)(C)C)C(=O)NN(C)C[C@@H](C)O 910175351 NFGLCKFCFZEIBU-BDAKNGLRSA-N 259.350 -0.119 50 20 CBGD COC1(C(=O)NNC(=O)CN2CCCC2=O)CCC1 913732092 HTQUFAOBXMQEIN-UHFFFAOYSA-N 269.301 -0.675 50 20 CBGD Cn1cnc(NC(=O)C(=O)NNC(=O)CC2CCCC2)n1 1117749052 VNAGJPLPVJIRJK-UHFFFAOYSA-N 294.315 -0.519 50 20 CBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNc1nncc(N)c1Cl 1118023160 HCRIDLCCSIELSA-AWFVSMACSA-N 286.679 -0.348 50 20 CBGD NCCCC(=O)NNC(=O)C(=O)C1CCSCC1 1118844750 NJPWELJKWMQIIM-UHFFFAOYSA-N 273.358 -0.415 50 20 CBGD CCn1nncc1CNC(=O)NNC(=O)C(C)C 1118866530 YVLNADKPSZHYNZ-UHFFFAOYSA-N 254.294 -0.216 50 20 CBGD CC(C)NC(=O)CCNC(=O)NNC(=O)c1cnn(C)c1 1251919423 OMCIWQGUICYWBB-UHFFFAOYSA-N 296.331 -0.721 50 20 CBGD CNC(=O)c1ccc(C(=O)NNc2cccnn2)cn1 1254590533 DWTQMLAJKZGBSC-UHFFFAOYSA-N 272.268 -0.012 50 20 CBGD O=C(NCCC1CCNCC1)NNC(=O)C1CCNCC1 1261515556 LKYAPUVSJWSGFW-UHFFFAOYSA-N 297.403 -0.294 50 20 CBGD CC(C)NC(=O)NNC(=S)NCCS(C)(=O)=O 1318293465 MVIRVCALVJTGRW-UHFFFAOYSA-N 282.391 -0.882 50 20 CBGD CCCCNC(=O)NNC(=O)CN1CCC(=O)NC1=O 1318657289 OXXRSOOCXGPXSY-UHFFFAOYSA-N 285.304 -0.941 50 20 CBGD COCCOCC(C)=NNC(=O)Cc1cc(O)nc(O)n1 1318899655 HZSCCIXMPYACKS-UHFFFAOYSA-N 298.299 -0.415 50 20 CBGD O=C(NCCc1ccncc1)NNC(=O)C(=O)NC1CC1 1319251535 KJHUUASJZXBXDN-UHFFFAOYSA-N 291.311 -0.767 50 20 CBGD COC(=O)C(=O)NN[C@H](C(=O)OC)c1cccnc1 1319403879 QEWDCIOIFXWJLV-QMMMGPOBSA-N 267.241 -0.911 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)C(=O)NC(C)C)o1 1319485542 YZJKGVZTWIUJAR-UHFFFAOYSA-N 297.267 -0.648 50 20 CBGD Cn1cc(N2CC[C@H](NC(=O)CCl)C2=O)cn1 1319675094 UUMWJXNBSNZPFK-QMMMGPOBSA-N 256.693 -0.120 50 20 CBGD C[C@@H](O)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 1320948240 AEMLWLWQRHVCOO-SSDOTTSWSA-N 290.320 -0.778 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CCS(=O)(=O)C1 1321415377 RTZLJXCMANYFPW-ZETCQYMHSA-N 277.371 -0.898 50 20 CBGD O=C(NNc1ncnc2[nH]cnc12)[C@@]1(F)CCOC1 1322979719 XACCYVVHGPDTQN-SNVBAGLBSA-N 266.236 -0.075 50 20 CBGD CCCNC(=O)NNC(=O)c1cnc(C(=O)OC)cn1 1325058856 XDBBOXHRNRQOJF-UHFFFAOYSA-N 281.272 -0.383 50 20 CBGD CC(C)NC(=O)NNC(=O)CCCCCS(N)(=O)=O 1327280003 ZBIUKGUHVLWJGY-UHFFFAOYSA-N 294.377 -0.426 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCc2nnn(C)c2C1 1327665518 FAIYLFRTHYVRHU-MRVPVSSYSA-N 280.332 -0.388 50 20 CBGD CCN(C)C(=O)[C@H](C)NC(=O)NNC(=O)c1cn[nH]c1 1328789614 ULPXCUOUYZPOFD-ZETCQYMHSA-N 282.304 -0.780 50 20 CBGD Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](B(O)O)C1 1329214970 LYUUKFTXXMNCFX-VIFPVBQESA-N 296.092 -0.435 50 20 CBGD O=C(NNc1cccnn1)C1(CO)CCOCC1 1329617053 HHRHGDXHPNGFJB-UHFFFAOYSA-N 252.274 -0.291 50 20 CBGD COCCCN(C)C(=O)NNC(=O)c1cccnn1 1331955976 PJOPKGSVGCDMFU-UHFFFAOYSA-N 267.289 -0.201 50 20 CBGD CC(=O)NNC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F 1332407324 GKHOEUVFAXCURT-WDSKDSINSA-N 288.247 -0.623 50 20 CBGD Cc1ccn(CC(=O)NNC(=O)C2CCOCC2)c(=O)c1 1333589065 WPDYDNIWBAMIPU-UHFFFAOYSA-N 293.323 -0.269 50 20 CBGD O=C(CN1CCC(CO)CC1)NNC(=O)c1ccncc1 1336746756 SOZCFTNZTJPZGA-UHFFFAOYSA-N 292.339 -0.453 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@]1(C(=O)O)CCCO1 1588661012 LYRSHRUTDRHPEI-NSHDSACASA-N 289.357 -0.086 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cc(C(=O)O)co1 1590882400 CHHPUEUXQPLXBL-UHFFFAOYSA-N 256.214 -0.490 50 20 CBGD COCCN(C)NC(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)O)O1 1599232486 SIWIBQAVEHAVFC-CIUDSAMLSA-N 260.290 -0.526 50 20 CBGD O=C(NCc1nc(C2CC2)cs1)NNC(=O)C(=O)O 1601549243 DKQDNUUIASZPGB-UHFFFAOYSA-N 284.297 -0.065 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CCC1)[C@@H]1C[C@H]2CC[C@H]1O2 1605814498 DBDHEZDYCXWAEL-IWSPIJDZSA-N 282.296 -0.044 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H](C1CC1)[C@@H]1CCCCO1 1608476958 CZKQWVUDSPSYQM-IUCAKERBSA-N 285.300 -0.251 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)CN2CCCC2=O)n1 182783969 RBBCKRHZQRRQQK-UHFFFAOYSA-N 284.707 -0.222 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NNC(=O)c1ccccn1 298297326 IBATVFYEAIRFNK-NSHDSACASA-N 292.339 -0.189 50 20 CBGD O=C(NNc1nccnc1Cl)[C@@H]1CN2CCCN1CC2 371231401 VZTLIWIIKIFPRI-VIFPVBQESA-N 296.762 -0.037 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CCN(C)C[C@@H](C(=O)OC)C1 491172980 AHYDPOISVIZJET-NLYDNYMLSA-N 295.339 -0.006 50 20 CBGD COC(=O)N(C)NC(=O)c1ccnc(S(N)(=O)=O)c1 496283154 KWPXNFHUJDBPRY-UHFFFAOYSA-N 288.285 -0.928 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@@H]1NC(=O)O[C@H]1C 496992991 ADLKXRZJSWFBOU-OIBJUYFYSA-N 293.279 -0.047 50 20 CBGD CCCN(CCO)C(=O)c1ccc(B(O)O)c(F)c1 584930884 FEIRXWONQHETBU-UHFFFAOYSA-N 269.081 -0.650 50 20 CBGD CO[C@@H](CNC(=O)c1ccc(B(O)O)c(F)c1)C1CC1 584994672 MQPAIWZGGMHZPD-LBPRGKRZSA-N 281.092 -0.340 50 20 CBGD CC[C@H](C)[C@H](CO)NCc1cccc(B(O)O)c1 585025286 QGMRYPUNAWZINA-GWCFXTLKSA-N 251.135 -0.137 50 20 CBGD O=C1CC[C@H](CCNCc2cccc(B(O)O)c2)N1 585039993 DBPAIPLNACHZEW-GFCCVEGCSA-N 262.118 -0.875 50 20 CBGD CCN(C)C(=O)[C@@H](NCc1ccc(B(O)O)o1)C(C)C 585042846 DVTURBYWQMCODS-LBPRGKRZSA-N 282.149 -0.448 50 20 CBGD OB(O)c1ccc(CN[C@H]2C[C@H](O)C23CCC3)o1 585046799 BXNDCFQBPMHYSZ-UWVGGRQHSA-N 251.091 -0.648 50 20 CBGD CC[C@@H](NCc1ccc(B(O)O)o1)[C@@H](O)C(C)C 585047071 ZSWRJNCYSJMYAC-PWSUYJOCSA-N 255.123 -0.156 50 20 CBGD O=C(NCB(O)O)c1cccnc1N1CCCCC1 585060825 ZMVQJLDVVUDJLO-UHFFFAOYSA-N 263.106 -0.186 50 20 CBGD COc1cccc(COCC(=O)NCB(O)O)c1 585061842 JFPUMIGQEDXWJD-UHFFFAOYSA-N 253.063 -0.660 50 20 CBGD C[C@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)CN(C)C 733359792 RESBBDHEPRPIRG-WDEREUQCSA-N 287.360 -0.330 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CSCC(=O)O 740295215 PPOOVLQHNRUNBN-UHFFFAOYSA-N 271.298 -0.396 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)c2ccc[nH]2)CCC1 747906705 SXJGAFNHFUHWNG-UHFFFAOYSA-N 250.258 -0.569 50 20 CBGD O=C(CO)NNC(=O)C[C@H]1CSCCS1 753442340 FFLPZYOWBRABHL-LURJTMIESA-N 250.345 -0.635 50 20 CBGD COC[C@](C)(O)C(=O)NNc1nc(-c2ccncc2)no1 754968512 OXHQOHIGRKLTAI-LBPRGKRZSA-N 293.283 -0.028 50 20 CBGD CC(C)(C)C(=O)NNC(=O)N[C@H]1CCCS(=O)(=O)C1 758663613 QRYMCLKYZCRPRU-QMMMGPOBSA-N 291.373 -0.060 50 20 CBGD COc1nccnc1NNC(=O)c1n[nH]c(C)c1O 764481763 MXXPWIQNPNYFQP-UHFFFAOYSA-N 264.245 -0.021 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccc2nnnn2c1 768409920 NIOGNQLLASKVEJ-UHFFFAOYSA-N 263.261 -0.570 50 20 CBGD CN(NC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(N)=O 770534547 NTODRWPHGLAODV-UHFFFAOYSA-N 294.267 -0.813 50 20 CBGD CN(CCCn1ccnc1)CC(=O)NNC(=O)C1CC1 774744029 JACJCFCMEACTJX-UHFFFAOYSA-N 279.344 -0.238 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1CCCN1C1CC1 787205014 BMSYKMOXEHYYJD-NSHDSACASA-N 284.360 -0.020 50 20 CBGD Cc1nc([N+](=O)[O-])cn1CCC(=O)NNC(=O)C(C)(C)O 787947468 PBDHKKJZVLKPBH-UHFFFAOYSA-N 299.287 -0.592 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)c1cnn(C)n1 790330537 XBCJHWIRXKVTJP-UHFFFAOYSA-N 289.295 -0.173 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@](F)(CO)C1 802011424 AQJOYEMMHZOBOH-KCJUWKMLSA-N 261.297 -0.661 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNc1ncncc1F 817079871 NHYGIZSADKKEIH-LURJTMIESA-N 255.253 -0.027 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1CCCc2nn[nH]c21 823816149 QCADFVXQDJCVJG-QMMMGPOBSA-N 296.331 -0.409 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCCCN(C)C1=O 823912202 BVSLCYVJNROMMX-ZJUUUORDSA-N 257.334 -0.411 50 20 CBGD CCC1(Cn2cc(C(=O)NN(C)[C@H](C)CO)nn2)COC1 823917809 NWQFCKMAHXNUCL-SNVBAGLBSA-N 297.359 -0.338 50 20 CBGD CO[C@H](C(=O)NN(C)[C@H](C)CO)c1cnn(C)c1 823929191 VZXBFIZRPKBOAC-SCZZXKLOSA-N 256.306 -0.549 50 20 CBGD CC(=O)N1CC[C@@](C)(C(=O)NN(C)[C@H](C)CO)C1 823952092 OEUJGQNWHOTRAK-BXKDBHETSA-N 257.334 -0.411 50 20 CBGD CCN1CCN(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1=O 827283276 OXTYHAFDOPQVLT-UWVGGRQHSA-N 298.343 -0.684 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@H](CC(=O)O)C1 828570614 OJHFQQALYXIUKN-RKDXNWHRSA-N 287.316 -0.892 50 20 CBGD O=C(NNc1ncc(F)cn1)C1(n2cnnn2)CC1 831351034 KXCYZJIVFRRQJB-UHFFFAOYSA-N 264.224 -0.765 50 20 CBGD CCn1nc(C)c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n1 843659532 JAIDVHAQEICOIQ-BDAKNGLRSA-N 281.316 -0.208 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1 843662573 RRAFIRRNSQZPPE-BDAKNGLRSA-N 284.312 -0.098 50 20 CBGD CC[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)C(=O)OC 843970405 FKCYTQHAGITZCR-YIZRAAEISA-N 272.301 -0.242 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)[nH]1 843971791 RJIAKYOHLUIDRJ-JGVFFNPUSA-N 295.295 -0.013 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(O)CCCC1 843974658 CNFMCFSVKQCQPQ-IUCAKERBSA-N 256.302 -0.136 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1n[nH]cc1[N+](=O)[O-] 843977050 FGIOCBZCRYXORP-RITPCOANSA-N 283.244 -0.496 50 20 CBGD C=CCNC(=S)NNC(=O)C[C@@H]1CCC(=O)N1C 854186117 SYUNERXKKOPYTG-QMMMGPOBSA-N 270.358 -0.321 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)C(C2CC2)C2CC2)N1 862457088 AUBDOWVVYSOLAK-SECBINFHSA-N 265.313 -0.151 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc(O)cs2)N1 862461699 MOEVODNYSCBFOY-LURJTMIESA-N 269.282 -0.507 50 20 CBGD Cc1cc(C(=O)NNC(=O)CS(C)(=O)=O)co1 863464976 NROIOZNLVKQSID-UHFFFAOYSA-N 260.271 -0.606 50 20 CBGD CCCOC(=O)CCNC(=O)c1ccc(B(O)O)cc1 863874556 UAEGIBGACJEGQT-UHFFFAOYSA-N 279.101 -0.561 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@@H](CCO)C1 866806921 NRGFBYTXQKJTOR-JTQLQIEISA-N 295.119 -0.260 50 20 CBGD CCOCCOCCNCc1ccc(B(O)O)cc1 897203715 BZGMQZBDMOOUNO-UHFFFAOYSA-N 267.134 -0.491 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCN1C 898080134 CEQZNPLODNJIHA-UTLUCORTSA-N 255.318 -0.347 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CCOCC(F)(F)F 914465257 MNRIRHRIRGOYKQ-UHFFFAOYSA-N 299.249 -0.373 50 20 CBGD Cn1nc(C2CC2)cc1C(=O)NNC(=O)N1CCOCC1 931114072 LPDCKKXLBIHOOQ-UHFFFAOYSA-N 293.327 -0.016 50 20 CBGD CC(C)[C@H](C#N)C=NNC(=O)[C@@H](C)NS(C)(=O)=O 1116348063 KXTVGLGVVRTVFS-RKDXNWHRSA-N 274.346 -0.178 50 20 CBGD CCCNC(=O)NNC(=O)c1coc(C(N)=O)c1 1116596738 QHORDNUAJFSMOB-UHFFFAOYSA-N 254.246 -0.268 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1ccn(C(C)C)n1 1116896968 VNMZSCHFQSGSFE-UHFFFAOYSA-N 267.289 -0.040 50 20 CBGD CO[C@@H](C)c1nsc(NC(=O)NNC(=O)CCO)n1 1117624737 NODHJNQLQGVLGQ-YFKPBYRVSA-N 289.317 -0.219 50 20 CBGD C[S@@](=O)CCCNC(=O)NNc1ccncn1 1122179255 RPQVLQZWRQCGEL-QGZVFWFLSA-N 257.319 -0.129 50 20 CBGD CN(CCO)c1ccc(C=NNC(=O)C(N)=O)cc1 1248410465 IMWKWRITAITVMR-UHFFFAOYSA-N 264.285 -0.950 50 20 CBGD COCC(=O)NCCC(=O)NNc1ncccc1F 1257789878 CAOBCWSHGHBVQS-UHFFFAOYSA-N 270.264 -0.184 50 20 CBGD C[C@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 1318967938 GSAIRHSSKZCDOJ-CBAPKCEASA-N 289.357 -0.450 50 20 CBGD CC[C@@H]1C[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)CCO1 1319940992 WFGINMKPCPJOHU-VHSXEESVSA-N 285.344 -0.136 50 20 CBGD CC(C)C(=O)NNC(=O)[C@@H]1CCc2nnn(C)c2C1 1323865322 HVXUIEQHTSHYIE-MRVPVSSYSA-N 265.317 -0.277 50 20 CBGD O=C(NNc1ccc(-n2ccnc2)nn1)[C@H]1COCCO1 1326697598 OYKZRXKPDVJBCV-SECBINFHSA-N 290.283 -0.479 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1C[C@@H](OC)C12CCC2 1326786351 JIUSHSDFAPZSNK-HTQZYQBOSA-N 285.300 -0.553 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)NCCn2cnnc2)cn1 1328401246 DOENSJNSWULXHT-NYYWCZLTSA-N 271.284 -0.265 50 20 CBGD Cc1cccnc1NNC(=O)c1cnn(C[C@H](O)CO)c1 1329263110 NYXGKYKHTGTYCG-NSHDSACASA-N 291.311 -0.303 50 20 CBGD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H](B(O)O)C1 1329673037 VCZGYVMGQGWBJR-YFKPBYRVSA-N 254.011 -0.993 50 20 CBGD C[C@H](CO)N(C)NC(=O)Cn1ncc2ccccc2c1=O 1330262312 SWRJBCFRPNHAIO-SNVBAGLBSA-N 290.323 -0.260 50 20 CBGD Cc1cccc(C(=O)NNC(=O)NC[C@@H]2COCCO2)n1 1339599277 JEBWSPZCBIAEIN-SNVBAGLBSA-N 294.311 -0.251 50 20 CBGD CNC(=O)NNC(=O)c1ccnc(N2CCCC2)n1 1341185388 AKJRSSMRUWVBKT-UHFFFAOYSA-N 264.289 -0.349 50 20 CBGD C[C@@]1(CNC(=O)C2(O)CNC2)C[C@H]1Br 1347938611 CJEPSWSTDNTUJT-SVRRBLITSA-N 263.135 -0.390 50 20 CBGD CC(C)c1nn(C)cc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1348386000 CNFKYZJNDZFZTJ-VIFPVBQESA-N 293.327 -0.417 50 20 CBGD C[C@@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccn(C)n1 1349103395 MVXBGOHHJRXCJQ-APPZFPTMSA-N 294.315 -0.910 50 20 CBGD CC1(C)CN[C@@H]1C(=O)NNC(=O)Cc1cccnc1 1573614325 IUGYANPTORIGSE-LLVKDONJSA-N 262.313 -0.231 50 20 CBGD Cc1cc(=NNC(=O)[C@@]2(C)C[C@@H](O)CN2)cc[nH]1 1574144044 IPQGJROTELADQY-ZYHUDNBSSA-N 250.302 -0.632 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@@]12CCCNC2)c1cnsn1 1580732829 KIRCVCMIDNGZEK-WRWORJQWSA-N 281.341 -0.311 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccc(-c2nn[nH]n2)cc1 1589882174 KKMBGXXUOUROAI-MRVPVSSYSA-N 276.300 -0.176 50 20 CBGD CO[C@@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1591319748 BWRUKJIDYVTGSI-LURJTMIESA-N 263.261 -0.260 50 20 CBGD O=C(O)CNC(=O)NN=C1CCCN2CCSC[C@@H]12 1602071289 MHKKBPDUMKBVHP-VIFPVBQESA-N 286.357 -0.063 50 20 CBGD O=C(O)Cc1occc1C(=O)NNc1nc[nH]n1 1602155078 BXMQSKULOVPRLF-UHFFFAOYSA-N 251.202 -0.218 50 20 CBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)c1cnsn1 1604094573 APLUEXMMJJLLTD-BYPYZUCNSA-N 258.259 -0.590 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1604670701 KCDAGGPZXCRZJO-UHFFFAOYSA-N 264.249 -0.889 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)CCCC(=O)O)n1 1607630114 SNMCJNAGAJDFDB-UHFFFAOYSA-N 282.300 -0.098 50 20 CBGD C[C@@H](C(=O)O)N(CC(=O)NNC(=O)C1CC1)C1CC1 1609708292 AMNBFARQJSKLOG-ZETCQYMHSA-N 269.301 -0.519 50 20 CBGD CS(=O)(=O)NCCC(=O)NNC(=O)NC1CCCC1 49430696 PKQBMJXUOVFLSO-UHFFFAOYSA-N 292.361 -0.801 50 20 CBGD CN(C)CC(=O)N1CCN(S(=O)(=O)CCl)CC1 111001528 JJFKDPOYJAVTOD-UHFFFAOYSA-N 283.781 -0.782 50 20 CBGD Cc1cc(C(=O)NNC(=O)CO)ccc1[N+](=O)[O-] 180945206 ARJQKEPEFDNKRM-UHFFFAOYSA-N 253.214 -0.343 50 20 CBGD N#Cc1ccc(S(=O)(=O)NCB(O)O)cc1Cl 223877827 PBWVSFPPGDHKFK-UHFFFAOYSA-N 274.494 -0.498 50 20 CBGD NC(=O)NCCC(=O)NNC(=O)Cc1ccccc1F 264508437 SGXCAGCUYZMPTR-UHFFFAOYSA-N 282.275 -0.426 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@H]2CCCC(=O)N2)nc1 270381506 PHPDDRJIYHPUFX-SECBINFHSA-N 292.295 -0.020 50 20 CBGD COCCN(C)NC(=O)Cn1cc([N+](=O)[O-])nc1C 288420912 MKLPCHWNHPHDQU-UHFFFAOYSA-N 271.277 -0.291 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 367967075 SUJVKNUKOAGABJ-XHNCKOQMSA-N 258.274 -0.233 50 20 CBGD CC(C)[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)N(C)C 584928527 CWKWOESBVJJGHT-LBPRGKRZSA-N 292.144 -0.791 50 20 CBGD Cc1noc([C@H](C)NC(=O)c2cc(B(O)O)ccc2F)n1 584936071 DMTNCBWEKWGDPT-LURJTMIESA-N 293.063 -0.312 50 20 CBGD O=C(N[C@H]1CCc2n[nH]cc2C1)c1cccc(B(O)O)c1 584963077 OYFWVSJRYLJDNI-LBPRGKRZSA-N 285.112 -0.623 50 20 CBGD CO[C@H](CNC(=O)c1cccc(B(O)O)c1)C1CC1 584995681 XNPDPLPIUKOJKK-GFCCVEGCSA-N 263.102 -0.479 50 20 CBGD C[C@@H]1[C@@H](CNCc2cccc(B(O)O)c2)N(C)CCN1C 585043687 SOFDAFQZDUEDCO-IUODEOHRSA-N 291.204 -0.910 50 20 CBGD COCc1n[nH]c(CNCc2ccc(B(O)O)cc2F)n1 585046686 AXHLAXPQBSMZMP-UHFFFAOYSA-N 294.095 -0.940 50 20 CBGD Cc1cc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)sn1 585057752 ZDTUDGWFAVNRMB-SSDOTTSWSA-N 276.148 -0.311 50 20 CBGD C#Cc1ccc(C(=O)NNC(=O)N2CCOCC2)cn1 728863546 WFVBYRRVBUNBCR-UHFFFAOYSA-N 274.280 -0.251 50 20 CBGD Cc1cccc([C@@H](CC(=O)NNC(=O)CO)NC(N)=O)c1 753452329 QGJAKYIPKWECFU-SNVBAGLBSA-N 294.311 -0.766 50 20 CBGD C[C@]1(C(=O)NNC(=O)N2CCOCC2)CCOC1 755197103 FDKVEAMAYPUFBC-NSHDSACASA-N 257.290 -0.514 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCNC(=O)C[C@H]1C 761058297 WFYQRHDGCHBXLV-MNOVXSKESA-N 298.387 -0.221 50 20 CBGD COc1ccc2c(c1)[C@H](C(=O)NNC(=O)CO)CC2 762899402 LKRLTCPKMUEHHS-SNVBAGLBSA-N 264.281 -0.135 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1ccn(CCC#N)n1 763266183 OZHVBJIECPMDAA-UHFFFAOYSA-N 279.304 -0.489 50 20 CBGD C[C@H]1CO[C@@H](CO)CN1CC(=O)NNC(=O)C(C)(C)C 766942891 HDNBBSXUAPBYHI-VHSXEESVSA-N 287.360 -0.739 50 20 CBGD COC1(C(=O)NNC(=O)NC(C)C)CCOCC1 786015237 SELLTATWHWQMFI-UHFFFAOYSA-N 259.306 -0.079 50 20 CBGD COC(=O)CNC(=O)NN=C(C)c1ccnc(O)c1 790297357 KKKLRKBEYSYWMV-UHFFFAOYSA-N 266.257 -0.017 50 20 CBGD NC(=O)C(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-] 792522585 CSWNZAHKYNUDRI-UHFFFAOYSA-N 298.280 -0.680 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)CC2OCCO2)n1 793800394 OBHQWPAZUGVECH-UHFFFAOYSA-N 273.680 -0.082 50 20 CBGD Cc1oc(C#N)cc1C(=O)NNC(=O)C(=O)N1CCCC1 797847565 SMZHFWVDHPBUBD-UHFFFAOYSA-N 290.279 -0.157 50 20 CBGD CC(C)c1nnc2ccc(NC(=O)NNC(=O)CO)cn12 801744644 BCHKOWCAHGVXOF-UHFFFAOYSA-N 292.299 -0.002 50 20 CBGD Cn1ncc(C(=O)NNC(=O)CNc2ccccc2)n1 806354715 IIANXLSOPOQXAG-UHFFFAOYSA-N 274.284 -0.312 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cc([N+](=O)[O-])c[nH]2)nn1 808376857 MFEZHSQTOUUULP-UHFFFAOYSA-N 279.216 -0.874 50 20 CBGD COCCCNC(=O)NN=C1CCN(CCO)CC1 819807326 ORFBSSYAHKUJKE-UHFFFAOYSA-N 272.349 -0.234 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NN(C)[C@H](C)CO 823938776 ASTLBBRJFOKAHF-WDEREUQCSA-N 259.350 -0.702 50 20 CBGD O=C(Cc1ccccc1F)NNC(=O)[C@H]1CC(=O)N1 826937099 IVPMLPNOJMDQQM-SECBINFHSA-N 265.244 -0.596 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCO[C@H](CC(=O)O)C1 828570612 OJHFQQALYXIUKN-DTWKUNHWSA-N 287.316 -0.892 50 20 CBGD CCNC(=O)N(C)NC(=O)C[C@@H]1CCC(=O)N1C 831859001 XVLVOEBPTRSPLR-QMMMGPOBSA-N 256.306 -0.310 50 20 CBGD C=CC(=O)N(C)CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 862096331 XEQPLANCPRZWBE-BDAKNGLRSA-N 269.301 -0.797 50 20 CBGD C[C@H]1CC(=NNC(=O)CS(C)(=O)=O)c2nccn21 863185998 KKZCEMAOCQKKMN-ZETCQYMHSA-N 270.314 -0.287 50 20 CBGD CC[C@H](C)[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)OC 863871740 ZRIDLLUWOBSWSG-CABZTGNLSA-N 293.128 -0.316 50 20 CBGD CC(C)(C)OC(=O)CCNC(=O)c1ccc(B(O)O)cc1 863873497 GUVBHSKMRFDHAX-UHFFFAOYSA-N 293.128 -0.172 50 20 CBGD O=C(NC[C@@H]1CCC=CO1)c1ccc(B(O)O)cc1 863879870 FSQHQCFKXALHBF-LBPRGKRZSA-N 261.086 -0.211 50 20 CBGD C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)COCCOC 869903810 IVBNWZWYJZWSQJ-ZJUUUORDSA-N 272.301 -0.612 50 20 CBGD CCN(CC)CC(=O)NNC(=O)COCCOC 869909930 MPPPTJQKKBPFKC-UHFFFAOYSA-N 261.322 -0.861 50 20 CBGD C[C@]1(C(=O)NCCOCC(N)=O)C[C@H]1Br 906996402 DQNGMXJBUUYNQT-MUWHJKNJSA-N 279.134 -0.222 50 20 CBGD C[C@@H](O)CN(C)NC(=O)C1(C(=O)NC2CC2)CC1 910166982 BBKLOHKNIOHHNA-MRVPVSSYSA-N 255.318 -0.611 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCCCN1S(C)(=O)=O 910180160 SODIKCUEWUQHFX-NXEZZACHSA-N 293.389 -0.856 50 20 CBGD NNC(=O)CCNS(=O)(=O)c1ccccc1Cl 917371565 GEUJLRJGHHKTBE-UHFFFAOYSA-N 277.733 -0.002 50 20 CBGD CCN1CCC[C@H](NC(=O)c2cccc(B(O)O)c2)C1=O 928863321 HFMXTUVSMMXRRS-LBPRGKRZSA-N 290.128 -0.893 50 20 CBGD Nc1ncc(C=NNC(=O)C(=O)N2CCCC2)cn1 1116523313 VOOKVGFVSOXILK-UHFFFAOYSA-N 262.273 -0.869 50 20 CBGD Cn1ccnc(NNC(=O)[C@H]2CCC(=O)C2)c1=O 1118218743 NAEHKMUPKISUPP-ZETCQYMHSA-N 250.258 -0.407 50 20 CBGD CNC(=S)N(C)NC(=O)C1(C#N)CCOCC1 1118713444 NLFACWMRSXCACD-UHFFFAOYSA-N 256.331 -0.226 50 20 CBGD CCc1nnc(CNC(=O)NNC(=O)c2cn[nH]c2)s1 1118863243 LXQPHOLPPUKYHR-UHFFFAOYSA-N 295.328 -0.032 50 20 CBGD CN(C)CCn1cc(C(=O)NNc2ncccn2)cn1 1118978439 JFJHMGMDZYXOTR-UHFFFAOYSA-N 275.316 -0.008 50 20 CBGD Cn1cc(C(=O)NNC(=O)N[C@H]2CCC[C@H]2CCO)cn1 1255326942 FLDOSVVGDBEYSS-ONGXEEELSA-N 295.343 -0.085 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CO[C@@H]1CCOC1 1261501374 ZJZANOIUCZPZEH-AEJSXWLSSA-N 272.301 -0.636 50 20 CBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CC12CCC2 1319110093 SWUYEXUZAHAQIO-DTWKUNHWSA-N 286.353 -0.241 50 20 CBGD COCC(=O)NNC(=S)Nc1ccc(C(N)=O)cc1 1319146072 IXIXMACIKFWWFW-UHFFFAOYSA-N 282.325 -0.251 50 20 CBGD CSCCNC(=S)NNC(=O)C[C@@H]1COC(=O)C1 1319963142 RRPJWPABLAQCIP-ZETCQYMHSA-N 291.398 -0.202 50 20 CBGD COC1(C=NNC(=O)[C@H]2CCC(=O)N2)CCOCC1 1329109389 BVILWOXTERKWES-SECBINFHSA-N 269.301 -0.437 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ncccc2F)N1 1329531632 VSDTZCZJDKCTPF-ZETCQYMHSA-N 266.232 -0.740 50 20 CBGD Cc1cc(C(=O)NNC(=O)CS(C)(=O)=O)c(C)[nH]1 1331736446 NBPZOPXHPWAFRI-UHFFFAOYSA-N 273.314 -0.563 50 20 CBGD COC(=O)[C@H](C)n1cccc1C=NNC(=O)C(N)=O 1341730330 RKNPMHFZUZKRMV-ZETCQYMHSA-N 266.257 -0.843 50 20 CBGD O=C(CCO)NNC(=O)Nc1ccc2c(c1)C(=O)NC2=O 1342675077 OPTLGRMWZJZDJM-UHFFFAOYSA-N 292.251 -0.895 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@H]1CCO[C@@H]1CN 1575142642 YOWIHYFDEMNCDJ-JGVFFNPUSA-N 274.390 -0.356 50 20 CBGD NC[C@H](O)CC(=O)NNc1nc(-c2ccccc2)no1 1580231839 JVYBJXAHWLFANX-SECBINFHSA-N 277.284 -0.111 50 20 CBGD N[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2cnsn2)C1 1580374657 USPNXPQTDJHXBQ-RNFRBKRXSA-N 269.330 -0.183 50 20 CBGD Cc1cc(-c2nn[nH]n2)cc(C)c1C(=O)NNC(=O)CO 1591838309 DNUZPZSGWKTGNB-UHFFFAOYSA-N 290.283 -0.763 50 20 CBGD C[C@H]1[C@H](C(=O)O)CCN1C(=O)c1cc(B(O)O)ccc1F 1594159378 RGTOAKFWIOSURM-IONNQARKSA-N 295.075 -0.559 50 20 CBGD CN(C)CC[C@H](NC(=O)NNC(=O)C(=O)O)C(C)(C)C 1598213342 BXSFNUANZQAQLV-QMMMGPOBSA-N 288.348 -0.232 50 20 CBGD COC(=O)N(C)CC(=O)NNc1ccc(C(=O)O)cn1 1606486166 IUIMWVATUBFGFQ-UHFFFAOYSA-N 282.256 -0.079 50 20 CBGD CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847557955 FXWJHUWOJGGXND-LPEHRKFASA-N 260.721 -0.192 50 20 CBGD CCC(=O)NNS(=O)(=O)c1c(C)nn(C)c1C 7708755 QARPHVCUOCLTOU-UHFFFAOYSA-N 260.319 -0.244 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccncc1 48375714 RVLGTGSIXCIEMZ-UHFFFAOYSA-N 250.258 -0.633 50 20 CBGD O=C(CSc1cccc[n+]1[O-])NNC(=O)NC1CC1 49150637 PXGRCCYTHVGTKI-UHFFFAOYSA-N 282.325 -0.095 50 20 CBGD CC(C)CNC(=O)NNC(=O)CNC(=O)c1ccco1 49183115 KKKBCYTZZLELIL-UHFFFAOYSA-N 282.300 -0.004 50 20 CBGD C[C@H](O)CN(C)CC(=O)NNC(=O)c1ccccc1 51822188 FSVRTFOCALXYDB-JTQLQIEISA-N 265.313 -0.240 50 20 CBGD CN1CC[C@@H](NC(=O)NNC(=O)OC(C)(C)C)C1=O 265773446 JKYRVYLGRSHUGM-SSDOTTSWSA-N 272.305 -0.044 50 20 CBGD COCC(C)(C)C(=O)NNC(=O)C(=O)NC(C)C 270153367 WQGOTJSZDNXUES-UHFFFAOYSA-N 259.306 -0.669 50 20 CBGD CCO[C@@H]1C[C@H]1C(=O)NNC(=O)C(=O)NC(C)C 298668489 SEQAYAKRRVTSAG-HTQZYQBOSA-N 257.290 -0.917 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 299385561 PKZWLBHACNEXJP-VIFPVBQESA-N 294.311 -0.070 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@H]1C[C@]12CCOC2 376371174 UMGJVGHQLZYSMO-SKDRFNHKSA-N 269.301 -0.514 50 20 CBGD CN1CC=C(CNC(=O)c2cc(B(O)O)ccc2F)CC1 584971622 VSNUMBUQAXEYOT-UHFFFAOYSA-N 292.119 -0.503 50 20 CBGD O=C(N[C@@H]1COC2(CCC2)C1)c1ccc(B(O)O)c(F)c1 585007100 JTPDYVVDWUMZII-JTQLQIEISA-N 293.103 -0.053 50 20 CBGD OB(O)c1cccc(CNC[C@H](O)COCC2CC2)c1 585020218 PSILXFXROFPSSQ-AWEZNQCLSA-N 279.145 -0.757 50 20 CBGD C=CC[C@H](CO)NCc1ccc(B(O)O)cc1F 585038814 IFVHENACZQCXFI-LLVKDONJSA-N 253.082 -0.468 50 20 CBGD O=C1CC[C@@H](NCc2cccc(B(O)O)c2)[C@H](C2CC2)N1 585042638 SUZHAZBLHRBLFX-HIFRSBDPSA-N 288.156 -0.487 50 20 CBGD CC(C)N1C[C@@H](CNCc2ccc(B(O)O)o2)CC1=O 585043864 UTXFVZZNICVKHZ-SNVBAGLBSA-N 280.133 -0.694 50 20 CBGD O=C(NCB(O)O)[C@H]1CCCC[C@@H]1n1cccn1 585062339 GWVMPKPEJLLGNW-UWVGGRQHSA-N 251.095 -0.257 50 20 CBGD C#CC[C@H](CO)NS(=O)(=O)CBr 717760207 LTTLSKFYXUFAMU-ZCFIWIBFSA-N 256.121 -0.358 50 20 CBGD CSCCNC(=O)NNC(=O)C(=O)N1CCCC1 726279277 RYXJDLZVBXMYEB-UHFFFAOYSA-N 274.346 -0.698 50 20 CBGD CC(=O)NC(C)(C)C(=O)NNC(=O)c1ccccn1 726765656 XIFRSVHVPHJRCK-UHFFFAOYSA-N 264.285 -0.243 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)NCCS(C)(=O)=O 727942982 QXOKIXSCTUNMKY-UHFFFAOYSA-N 281.334 -0.230 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C[C@H]1CCOC1 728434137 IWWIGJQWWJRLOM-HTQZYQBOSA-N 263.319 -0.937 50 20 CBGD Cc1csc(=O)n1CCC(=O)NNC(=O)CN(C)C 733359493 QLEGQPGJTOGPCL-UHFFFAOYSA-N 286.357 -0.683 50 20 CBGD C[C@H](C#N)C(=O)NNC(=O)CNC(=O)c1cccs1 736671731 GECOCZSLMGLQCP-SSDOTTSWSA-N 280.309 -0.215 50 20 CBGD CCC(CC)N1C[C@H](C(=O)NNC(=O)C(C)(C)O)CC1=O 768260933 YTTIRZAYYVAVPH-SECBINFHSA-N 299.371 -0.058 50 20 CBGD CN(NC(=O)c1ccc2c(c1)C(=O)NC2=O)C(N)=O 770532826 JYAYQDVJGOMBQW-UHFFFAOYSA-N 262.225 -0.775 50 20 CBGD C[C@@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)N(C)C 778443488 ULEWXNPDSKSEPP-QMMMGPOBSA-N 288.348 -0.391 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)Cc1ccn(C)n1 782663781 STTDDEAPLYYQSQ-UHFFFAOYSA-N 262.273 -0.545 50 20 CBGD COc1cccc(CC(C)=NNC(=O)C(N)=O)n1 782900301 YYEVNQWQNSOPKW-UHFFFAOYSA-N 250.258 -0.390 50 20 CBGD CCOCCC=NNC(=O)[C@H](C)NS(C)(=O)=O 788427412 MVYGYWUELGWGIG-QMMMGPOBSA-N 265.335 -0.547 50 20 CBGD CN(C)[C@@H](C(=O)NNC(=O)C1CCC1)c1cncn1C 798291919 PMBKMYSQWSTBQG-LLVKDONJSA-N 279.344 -0.030 50 20 CBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)c1ccccc1 816816908 MCTNBYPXLZUQSK-UWVGGRQHSA-N 261.281 -0.041 50 20 CBGD COc1ccnc(NNC(=O)NCCC(=O)O)n1 818635849 ZUFIXBILTSDBDT-UHFFFAOYSA-N 255.234 -0.414 50 20 CBGD CCN(CCO)NC(=O)[C@@H](OC)c1cnn(C)c1 823884980 QVSURMSEWSRTFH-JTQLQIEISA-N 256.306 -0.547 50 20 CBGD CCN(CCO)NC(=O)c1ccn(CCN(C)C)n1 823893657 RNHJKGAWWVOKIA-UHFFFAOYSA-N 269.349 -0.596 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCCC12OCCO2 823923001 OIRBSVBBPAVTNG-NXEZZACHSA-N 258.318 -0.127 50 20 CBGD Cc1c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cnn1C 843641725 HNQAOFGPVPJCKI-BDAKNGLRSA-N 266.301 -0.085 50 20 CBGD COC(=O)NCCCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843652075 QUAMZJNMTRHYPU-IUCAKERBSA-N 287.316 -0.305 50 20 CBGD CCN1C[C@H](CNC(=O)NNc2cccnn2)CC1=O 845491739 BOXSIFPOLFMRHM-VIFPVBQESA-N 278.316 -0.029 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2CC[C@H]2C(N)=O)n1 847542008 MQHBIGIBJUMEIT-SFYZADRCSA-N 279.300 -0.252 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1ncc(F)cc1F 857532958 BLGWHHRSXPNTIV-UHFFFAOYSA-N 280.256 -0.648 50 20 CBGD C[C@@]1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCCOC1 862459799 BKCNYMHMVPMCOY-QPUJVOFHSA-N 269.301 -0.771 50 20 CBGD O=C(CC1CCCC1)NCC(=O)NNC(=O)c1cn[nH]c1 862471447 FKLICDDDPDXMSN-UHFFFAOYSA-N 293.327 -0.133 50 20 CBGD CCO/C=C(/C#N)C(=O)NC[C@H](O)CC(=O)OC 863018460 ZOFNLZOFZJRASK-UFGYOYAJSA-N 256.258 -0.529 50 20 CBGD CN1CCCC[C@@H](C(=O)NNC(=O)NC2CC2)C1=O 874194290 VVPKTPCUDVVVCN-VIFPVBQESA-N 268.317 -0.262 50 20 CBGD C#C[C@@H](NC(=O)NNC(=O)C1CCOCC1)[C@@H]1CCCO1 883581485 YDTHQFVEKJRTIU-NEPJUHHUSA-N 295.339 -0.076 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@H]1CC[C@H]1C(N)=O 899997024 CUORATRAOGVCLP-RQJHMYQMSA-N 272.374 -0.208 50 20 CBGD CCOCCn1cc(C(=O)NN(C)C[C@H](C)O)cn1 910139882 NCOOZLRYFTUCLW-JTQLQIEISA-N 270.333 -0.123 50 20 CBGD CO[C@@]1(C(=O)NNC(=O)Cc2cc(C)[nH]n2)CCSC1 911419577 FYRJUZDAICQPCP-LBPRGKRZSA-N 298.368 -0.070 50 20 CBGD CN(C)C(=O)CNC(=S)NNC(=O)C1CCCC1 918719157 SJMXPCVKMCVDDG-UHFFFAOYSA-N 272.374 -0.240 50 20 CBGD COC(=O)C(=O)NN[C@H](C(N)=O)c1ccccc1 1116197528 CTUBLJDFPHNBRV-QMMMGPOBSA-N 251.242 -0.993 50 20 CBGD O=C(Cc1cnccc1Cl)NNC(=O)[C@@H]1CCC(=O)N1 1118942083 BOODEBIEYTVDPC-VIFPVBQESA-N 296.714 -0.297 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1cccc(O)c1 1319300515 XLUVFCPMDCDJJI-UHFFFAOYSA-N 267.241 -0.604 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)N2CCOCC2)o1 1319577300 JWFHFOHKAUICQI-UHFFFAOYSA-N 282.256 -0.935 50 20 CBGD COc1coc(C(=O)NNC(=O)C2CC2)cc1=O 1321326472 UDRXKUANPIFIMV-UHFFFAOYSA-N 252.226 -0.181 50 20 CBGD CC(=O)NCCNC(=O)NNc1nncc(N)c1Cl 1322238693 MISAKDPUUIADCY-UHFFFAOYSA-N 287.711 -0.526 50 20 CBGD CC(=O)NNC(=O)c1cnc2n(c1=O)CCS2 1325554892 WZQVGZYPUZIREB-UHFFFAOYSA-N 254.271 -0.870 50 20 CBGD O=C(c1ccc(N2CCCC2)nn1)N1CC[C@@H](B(O)O)C1 1329215015 MEEQXZBCJKOPPH-SNVBAGLBSA-N 290.132 -0.234 50 20 CBGD C[C@H](C(=O)NNC(=O)CS(C)(=O)=O)c1ccccn1 1329586443 CUTVWEYUPLOZGQ-QMMMGPOBSA-N 285.325 -0.623 50 20 CBGD CO[C@]1(C=NNC(=O)c2cccnn2)CCOC1 1330889556 BFASDIIOHIFZOM-NSHDSACASA-N 250.258 -0.002 50 20 CBGD O=C(CCl)N1CCN(S(=O)(=O)C2CC2)CC1 1331845365 FSGFERZKVCQPQC-UHFFFAOYSA-N 266.750 -0.138 50 20 CBGD C/C=C\C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1331912913 WEPBPQCVPBEMEZ-XDVGHUOJSA-N 261.303 -0.920 50 20 CBGD CCc1ocnc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1335330943 ZQROLZQWZZWHSX-LURJTMIESA-N 266.257 -0.723 50 20 CBGD CC(C)(C)[C@H](C(=O)O)C(=O)NNC(=O)c1ncon1 1573389608 DFOVEJRNJVKZQA-YFKPBYRVSA-N 270.245 -0.423 50 20 CBGD C#CC[C@]1(C(=O)NNc2cc(C)nc(N)n2)CCCN1 1574525614 OIQGFAZVTXMDEM-CYBMUJFWSA-N 274.328 -0.044 50 20 CBGD CCN(C(=O)c1cccc(B(O)O)c1)[C@@H]1CCCNC1 1577646043 FNZUUXLRTUBURR-CYBMUJFWSA-N 276.145 -0.420 50 20 CBGD CCOC(=O)[C@@H](Cc1ccccc1)NNC(=O)C(=O)O 1605513003 JWNGLLFFFIWDCE-SNVBAGLBSA-N 280.280 -0.134 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@H](C)CC(=O)O)n[nH]1 1607635537 BJDPPGRRYLPFHZ-LURJTMIESA-N 268.273 -0.481 50 20 CBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cnc[nH]2)C[C@@H](C)O1 264852301 NHFSJSPXKIJOOR-NXEZZACHSA-N 295.343 -0.330 50 20 CBGD CC[C@H](C(=O)NNC(=O)NC1CC1)N1CCCC1=O 266895046 XHPNBIKJIIXIDG-SECBINFHSA-N 268.317 -0.120 50 20 CBGD CC[C@@H](C(=O)NNC(=O)NC1CC1)N1CCCC1=O 266895047 XHPNBIKJIIXIDG-VIFPVBQESA-N 268.317 -0.120 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1O 269287863 TWMBJFCSGQEFCN-UHFFFAOYSA-N 282.256 -0.377 50 20 CBGD COC(=O)NCCCC(=O)NNC(=O)C(C)(C)O 276187028 DHCBQOVLZIKPFI-UHFFFAOYSA-N 261.278 -0.959 50 20 CBGD CNC(=O)NCCC(=O)NNc1ccnc(F)c1 293558526 UPRWMQDCSFHDCC-UHFFFAOYSA-N 255.253 -0.017 50 20 CBGD COC(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 364041290 LDCXPRXXXOLIPL-VIFPVBQESA-N 292.295 -0.183 50 20 CBGD N#CCCN(CCC#N)C(=O)c1ccc(B(O)O)cc1 584933190 BESNUTVRVUYNMX-UHFFFAOYSA-N 271.085 -0.364 50 20 CBGD O=C(N[C@H]1CCN(C2CC2)C1)c1ccc(B(O)O)cc1 584934092 OSBBJCXKCGMFGW-LBPRGKRZSA-N 274.129 -0.667 50 20 CBGD C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cccc(B(O)O)c1 584957288 DMHLPNRHZFAEAI-QMTHXVAHSA-N 288.156 -0.421 50 20 CBGD CC(C)C1(O)CN(C(=O)c2ccc(B(O)O)cc2)C1 584982991 ODLHZKOLTREKNF-UHFFFAOYSA-N 263.102 -0.791 50 20 CBGD C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584997367 FFZNNLYXUGGEKO-OLZOCXBDSA-N 293.103 -0.031 50 20 CBGD O=C(NCCCNCc1cccc(B(O)O)c1)C1CCC1 585026946 UVWCCEQRSKOJEH-UHFFFAOYSA-N 290.172 -0.238 50 20 CBGD C[C@@H]1C[C@H](NCc2ccc(B(O)O)o2)CN1C1CC1 585027942 BDTDLKRIKZECDV-ZJUUUORDSA-N 264.134 -0.326 50 20 CBGD C[C@H](CO[C@@H]1CCOC1)NCc1ccccc1B(O)O 585030870 KKGFVPBGNUIVGW-DGCLKSJQSA-N 279.145 -0.350 50 20 CBGD OB(O)c1ccc(CNC[C@H](O)Cc2cccc(F)c2)o1 585042853 FBNATEUQGPMDRW-GFCCVEGCSA-N 293.103 -0.208 50 20 CBGD NC(=O)CC1(CNCc2cccc(B(O)O)c2)CC1 585047356 AYETZKGYYNERND-UHFFFAOYSA-N 262.118 -0.888 50 20 CBGD CCCN1CC[C@@H](NCc2ccccc2B(O)O)C1 585050128 RZGWOSQRLOBPPU-CYBMUJFWSA-N 262.162 -0.060 50 20 CBGD OB(O)c1ccc(-c2noc(C[C@H]3CCOC3)n2)cc1 585050885 OUGAMLCEGXRJLZ-SECBINFHSA-N 274.085 -0.005 50 20 CBGD Cc1ccc(NCC(=O)NNC(=O)C2=NNC(=O)C2)cc1 731867642 YLRJHVMHUDGMDZ-UHFFFAOYSA-N 289.295 -0.570 50 20 CBGD O=C(CN1CCC[C@@H](OCCO)C1)NNC(=O)C1CC1 734485448 ITDMEJLMDZNKTL-LLVKDONJSA-N 285.344 -0.983 50 20 CBGD CC(CS(C)(=O)=O)=NNC(=O)c1c[nH]nc1C 735407153 VHTOJIOPVZNQNY-UHFFFAOYSA-N 258.303 -0.132 50 20 CBGD Cn1cc(/C=C\C(=O)NNC(=O)c2cnn(C)c2)cn1 735445211 OCNKLJPNHZEWRU-ARJAWSKDSA-N 274.284 -0.372 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1C[C@@H]1C(=O)O 736899241 FKCAVCONXQEJPY-SFYZADRCSA-N 285.300 -0.841 50 20 CBGD CC(C)COCCC(=O)NNC(=O)C(=O)N1CCCC1 748240952 MLFYCNNWTTVMAF-UHFFFAOYSA-N 285.344 -0.181 50 20 CBGD CC(C)(CNC(=O)NNC(=O)C1CCC1)S(C)(=O)=O 748965496 GAXXGMOVYDLIGL-UHFFFAOYSA-N 291.373 -0.060 50 20 CBGD Cn1cc(NC(=O)NNC(=O)Cc2cc[nH]n2)cn1 755492934 MSTAMCWVOBDKSV-UHFFFAOYSA-N 263.261 -0.461 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)c1cc(C)[nH]n1 768277214 BZPWRLAQJHTJSW-ZETCQYMHSA-N 267.289 -0.606 50 20 CBGD C[C@H](O)c1cn(CC(=O)NN=c2cc[nH]cc2Cl)nn1 768448933 SWEUMQJWXJGTOW-ZETCQYMHSA-N 296.718 -0.055 50 20 CBGD N#CSCCCNC(=O)CN1CCCS1(=O)=O 773586092 RGTDIZAZHFBBGB-UHFFFAOYSA-N 277.371 -0.258 50 20 CBGD CC[C@H](C)CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 790491245 GAIGTKRDEIYSLC-DTWKUNHWSA-N 291.373 -0.060 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cncc(OC)n1 791695464 ITJMIQXKONBCSF-SSDOTTSWSA-N 296.283 -0.412 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@@H](CO)OC(C)(C)C1 817279125 ITTDTNALLQFGDY-ZJUUUORDSA-N 287.360 -0.596 50 20 CBGD CN(CCC(=O)O)CC(=O)NNC(=O)c1ccc(F)cc1 818463046 MDMHNNFPHXNQDE-UHFFFAOYSA-N 297.286 -0.007 50 20 CBGD Cc1cc(C)n(CC(=O)NN(C)C2CC2)c(=O)n1 819649389 CWCTYGOCAHAEQS-UHFFFAOYSA-N 250.302 -0.014 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CCCCN1C 825136621 LQLGXXCQMKXWGK-JTQLQIEISA-N 273.333 -0.719 50 20 CBGD C[C@@H](OCc1ccc(F)cc1)C(=O)NNC(=O)CO 827894694 RONMMPAFVLQPBD-MRVPVSSYSA-N 270.260 -0.130 50 20 CBGD CCn1nc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ccc1=O 843650237 AEAYJSKRVFWIBE-BDAKNGLRSA-N 294.311 -0.551 50 20 CBGD CC[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)N1CCCC1=O 843650840 HXQUFGBQLRYXMU-GARJFASQSA-N 297.355 -0.040 50 20 CBGD C#CCO[C@H](C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843660650 LVIKTXSKGLZYLS-BBBLOLIVSA-N 254.286 -0.403 50 20 CBGD COC(=O)C12CC(C(=O)NNC(=O)N3CCOCC3)(C1)C2 843778587 HAVPYRJQAIHHEK-UHFFFAOYSA-N 297.311 -0.597 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CNC(=O)C(C)(C)C 843971937 CMAZSKGHEJJNMA-IUCAKERBSA-N 285.344 -0.279 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(C(N)=O)n1 843980611 VLXKZYLFTVHPKL-SFYZADRCSA-N 292.295 -0.634 50 20 CBGD CSSCCNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 854393336 DSXJKCURRZPJKJ-IWSPIJDZSA-N 279.383 -0.473 50 20 CBGD O=C(C[C@H]1CCC(=O)N1)NNC(=O)[C@H]1CCCCO1 854682627 CTIUIRZDSJRHKG-RKDXNWHRSA-N 269.301 -0.628 50 20 CBGD C[C@@H](NC(=S)NNC(=O)CN1CCOCC1)C1CC1 855098577 JLCXOPSSPLNSTN-SECBINFHSA-N 286.401 -0.388 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2cncn2C1)c1cc[nH]n1 855355682 DQBDECHECANIAD-QMMMGPOBSA-N 274.284 -0.370 50 20 CBGD Cc1ccc(F)cc1NNC(=O)[C@H](CO)NC(N)=O 855369672 VAMIYYKQJJFARB-VIFPVBQESA-N 270.264 -0.394 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)C2CC3(CC3)C2)N1 862464382 XSNSDZKRGVVUKB-MRVPVSSYSA-N 251.286 -0.397 50 20 CBGD CS(=O)(=O)CC(=O)NN=C1CCCn2nccc21 863184433 XVGSHIZQNBQBCH-UHFFFAOYSA-N 270.314 -0.458 50 20 CBGD NC(=O)C1(NS(=O)(=O)CCCCl)CCC1 882007256 HLUQWJAHENFZTN-UHFFFAOYSA-N 254.739 -0.057 50 20 CBGD CS(=O)(=O)C1CN(S(=O)(=O)CCCCl)C1 882243719 CRGRJCCDWFRREY-UHFFFAOYSA-N 275.779 -0.326 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=S)NC(C)(C)C 899992218 RTEKJJZHHHHDPN-UHFFFAOYSA-N 260.363 -0.242 50 20 CBGD CC1(C)C[C@@](C)(NCC(=O)NNC(=O)C2CC2)C(=O)O1 930876156 PQGPECBHYIRTHE-CYBMUJFWSA-N 283.328 -0.382 50 20 CBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNc1ncccn1 1115833627 ILSQINZZEMGCKX-UHFFFAOYSA-N 296.312 -0.781 50 20 CBGD N#CCC1(O)CN(S(=O)(=O)CCCCl)C1 1119339960 HEKDZQDWMYTLFX-UHFFFAOYSA-N 252.723 -0.095 50 20 CBGD O=C([C@H]1CCCN1c1ncccn1)N1CC[C@@H](B(O)O)C1 1262157287 ZYAWQXDWOQHJMC-GHMZBOCLSA-N 290.132 -0.479 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)c2c[nH]nc2C)CC1 1318389793 XNSMGKBAJGEAJB-UHFFFAOYSA-N 265.273 -0.995 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H](C)Cn1ccnc1C 1319002965 DRIQDCUYGVOEAF-MRVPVSSYSA-N 297.315 -0.669 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCN(C(C)C)C(C)C 1319299990 PGLWDLHIENOLCK-UHFFFAOYSA-N 288.348 -0.391 50 20 CBGD Cc1nc[nH]c1C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1319491675 WIZOGGCBBOWZJR-MRVPVSSYSA-N 285.329 -0.462 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)CC1OCCCO1 1326834509 AEQGYKHAVIUSGP-UHFFFAOYSA-N 279.296 -0.075 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cnoc2C2CC2)N1 1329531511 UOYUAMIAZBTJSR-QMMMGPOBSA-N 278.268 -0.408 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)NC1 1329537880 FWYOIGQVNCPSNJ-YIZRAAEISA-N 269.301 -0.915 50 20 CBGD C[C@@H]1c2nncn2CCN1C(=O)NNC(=O)c1cn[nH]c1 1334930100 JBRUDAUCLICYPV-SSDOTTSWSA-N 290.287 -0.568 50 20 CBGD O=C(NN=C[C@@H]1CCOC1)[C@@H]1CN2CCC[C@H]2CO1 1549319106 SMAXDQZGHBMHBB-SRVKXCTJSA-N 267.329 -0.012 50 20 CBGD CCC(CC)(C(=O)O)C(=O)NNC(=O)C(=O)NC1CC1 1589475842 MXRGYFDYUYSUCM-UHFFFAOYSA-N 285.300 -0.697 50 20 CBGD CCC1(CC)[C@@H](NC(=O)NNC(=O)C(=O)O)C[C@@H]1OC 1595373022 BBVZBHTUKHGHTM-YUMQZZPRSA-N 287.316 -0.005 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(C)cc1C(=O)O 1606280974 MYLPKBSOQYLLQS-UHFFFAOYSA-N 287.297 -0.184 50 20 CBGD O=C(Cn1cnnn1)NNc1ccccc1C(=O)O 1610679236 ZTAOABDURLKGLF-UHFFFAOYSA-N 262.229 -0.485 50 20 CBGD Cc1csc(CC(=O)NNC(=O)CN2CCOCC2)n1 26464124 OHAIGTSMMMGKDC-UHFFFAOYSA-N 298.368 -0.526 50 20 CBGD Cn1cc(S(=O)(=O)NNC(=O)NCC2CC2)cn1 49152649 ZHIZGQPOHUZBKW-UHFFFAOYSA-N 273.318 -0.677 50 20 CBGD COC[C@@H](O)CCNS(=O)(=O)CBr 227982716 AVAKMJNYXCRJCB-LURJTMIESA-N 276.152 -0.344 50 20 CBGD CC(=O)NNC(=O)[C@H](C)Sc1nnnn1C1CC1 272884778 ZTSDYZCWHWXGRD-YFKPBYRVSA-N 270.318 -0.344 50 20 CBGD CO[C@H](C(=O)NNC(=O)N1CCOCC1)c1cnn(C)c1 281809746 YVPDPJNMLUTEBR-JTQLQIEISA-N 297.315 -0.819 50 20 CBGD CC(=O)NCC(=O)NNC(=O)COc1ccccc1F 298291192 YXRBYXRLDANBCN-UHFFFAOYSA-N 283.259 -0.512 50 20 CBGD CNC(=O)NNC(=O)[C@@H](C)NC(=O)C1CCCC1 299129217 OMGYTWKYIGUINK-SSDOTTSWSA-N 256.306 -0.359 50 20 CBGD COC(=O)NCC(=O)NNc1ncccc1[N+](=O)[O-] 493404970 HIZLYXGODLWZER-UHFFFAOYSA-N 269.217 -0.211 50 20 CBGD C[C@@H]1CN(C)CC[C@@H]1NC(=O)c1cc(B(O)O)ccc1F 584937096 LGGJFORQUZREBE-RNCFNFMXSA-N 294.135 -0.425 50 20 CBGD CCN(Cc1cnn(C)c1)C(=O)c1ccc(B(O)O)cc1 584944330 RSCCEAYXCPFEDK-UHFFFAOYSA-N 287.128 -0.238 50 20 CBGD C[C@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)CCN1C 584949183 CZTKOIDHRXWKAN-GXFFZTMASA-N 276.145 -0.421 50 20 CBGD C[C@H]1CN(C)C[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584959110 XNBQVVOGXREAHK-QPUJVOFHSA-N 280.108 -0.815 50 20 CBGD CCO[C@@H]1C[C@H](NC(=O)c2ccc(B(O)O)cc2)[C@H]1OC 584976648 SJRKHQPELRQPCG-YNEHKIRRSA-N 293.128 -0.711 50 20 CBGD O=C(NCC12CCCN1CCC2)c1cccc(B(O)O)c1 584985586 NMWLUVJDOSSOJS-UHFFFAOYSA-N 288.156 -0.275 50 20 CBGD OB(O)c1ccccc1CNC[C@@H](O)C(F)(F)F 585022050 RZJRJURXQZYWGP-SECBINFHSA-N 263.024 -0.621 50 20 CBGD C[C@H](NCc1cccc(B(O)O)c1)[C@H]1CN(C)CCO1 585028432 KCHHFMKKCSCISV-SMDDNHRTSA-N 278.161 -0.825 50 20 CBGD OB(O)c1ccc(CNC[C@@H]2CC[C@@H](O)C2)c(F)c1 585037768 JJOZDUXUSMBVHL-BXKDBHETSA-N 267.109 -0.244 50 20 CBGD Cc1nccnc1CCNCc1cccc(B(O)O)c1 585043321 MUGQKYBBKKQHFS-UHFFFAOYSA-N 271.129 -0.203 50 20 CBGD C[C@H]1CC[C@H](NCc2ccc(B(O)O)o2)CS1(=O)=O 585048048 ZOGZRORDLCYVJE-IUCAKERBSA-N 287.146 -0.985 50 20 CBGD NC(=O)C(=O)NN=Cc1occc1Br 735224126 NCWQDUKXNXQFKO-UHFFFAOYSA-N 260.047 -0.023 50 20 CBGD O=C(Cc1cccnc1)NNS(=O)(=O)C[C@@H]1CCCO1 735646782 SZEUNGWHYHFETL-NSHDSACASA-N 299.352 -0.246 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](C(=O)O)C1 736847031 JKHBGGJZCZQTSD-RKDXNWHRSA-N 271.317 -0.271 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)[C@H]1C[C@H]1C(=O)O 739401402 AXLGBDXFYPEOTM-IUYQGCFVSA-N 269.179 -0.400 50 20 CBGD O=C(O)NCCC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 739937984 KPKVWWFARMEYRM-JTQLQIEISA-N 293.279 -0.205 50 20 CBGD O=C(NN=Cc1cc[nH]c1)N[C@H]1CCS(=O)(=O)C1 745195275 HWVWUXHVKDOFJW-VIFPVBQESA-N 270.314 -0.165 50 20 CBGD Cn1cccc1C(=O)NNC(=O)N1CCOCC1 745988059 PPFBCMJPVSZJFG-UHFFFAOYSA-N 252.274 -0.288 50 20 CBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)NC1CCCC1 746840116 OGRPTBZZUNHTFY-QMMMGPOBSA-N 291.373 -0.060 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H](C)CS(C)(=O)=O 747522978 ZAKZCLWEXANULQ-SSDOTTSWSA-N 279.387 -0.652 50 20 CBGD CCCNC(=O)NNC(=O)CN(C)CC(=O)NC(C)C 749584568 LDUMBZMYTJMZES-UHFFFAOYSA-N 287.364 -0.817 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C(C)(C)C(N)=O)c(O)c1 769909071 NSEUPWSQXYCXOC-UHFFFAOYSA-N 279.296 -0.027 50 20 CBGD CC(C)(O)CCNC(=O)NNC(=O)C(=O)N1CCCC1 776259493 NJFOOJQFHFRMPG-UHFFFAOYSA-N 286.332 -0.900 50 20 CBGD COc1cccc(NNC(=O)[C@@H]2CCS(=O)(=O)C2)n1 780770494 HHGASRFSCBQULB-MRVPVSSYSA-N 285.325 -0.032 50 20 CBGD NC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)N2CCOCC2)C1 786846119 UQNRHTCGQVDZSY-ZJUUUORDSA-N 298.343 -0.649 50 20 CBGD Cc1ccc(NNC(=O)NCCOCCN(C)C)nn1 788015154 ZFUYQKPQLMNKRH-UHFFFAOYSA-N 282.348 -0.011 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H](O)c1cccnc1 798306360 YVMCYAKTOGGRJA-SECBINFHSA-N 266.326 -0.204 50 20 CBGD CC[C@@H](C)CCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 806787781 MVGBXYBACJVVSW-RKDXNWHRSA-N 293.389 -0.102 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)NCC(=O)NCC#N 807551919 IDHPLBRTZIIHPB-UHFFFAOYSA-N 269.305 -0.607 50 20 CBGD COCCN(C)NC(=O)[C@H]1CCCN(C(C)=O)C1 816561391 VWUAMOYBINNQSX-NSHDSACASA-N 257.334 -0.146 50 20 CBGD O=C(CNC(=O)C1CC1)NNc1ncncc1F 817079648 IEFUUSJPKQQYCS-UHFFFAOYSA-N 253.237 -0.415 50 20 CBGD COCC(=O)NN=Cc1ccc(-c2nn[nH]n2)o1 821680168 BDDXFZONZKOWRB-UHFFFAOYSA-N 250.218 -0.444 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 839696208 PGSGKGNFQUMRIX-RNFRBKRXSA-N 267.245 -0.098 50 20 CBGD Cn1nccc1[C@@H](NS(=O)(=O)CCl)C(=O)O 843304644 NUDDIBQEANTFIA-ZCFIWIBFSA-N 267.694 -0.339 50 20 CBGD O=C(CN1CCC2(CCNCC2)C1)NNC(=O)C1CC1 843364764 QPVRVXTZESJCMF-UHFFFAOYSA-N 280.372 -0.381 50 20 CBGD CO[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)C1CC1 843659130 WNWVVYFZYOZYSR-QNSHHTMESA-N 256.302 -0.016 50 20 CBGD CC[C@H]1COCC1=NNC(=O)[C@@H](C)NS(C)(=O)=O 853303760 QYDVKFUADMYDTO-SFYZADRCSA-N 277.346 -0.547 50 20 CBGD O=C(CN1CCOCC1)NNc1ncc(Cl)cn1 857357295 NPVDNEBFQUSETF-UHFFFAOYSA-N 271.708 -0.095 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)Nc1cnn(CCF)c1 861485319 VMLZSTFUSZHYOK-UHFFFAOYSA-N 295.278 -0.029 50 20 CBGD O=C1CC[C@@H](C(=O)NN=Cc2ccc([N+](=O)[O-])o2)N1 863146865 VLGYRENQNUUSFJ-ZETCQYMHSA-N 266.213 -0.084 50 20 CBGD Cc1cc(C=NNC(=O)CS(C)(=O)=O)sn1 863186758 KNPPZVUEKAVCFE-UHFFFAOYSA-N 261.328 -0.054 50 20 CBGD CCOC(=O)CCN(C)C(=O)c1ccc(B(O)O)cc1 863885633 MKOMBEXGPNDQJS-UHFFFAOYSA-N 279.101 -0.608 50 20 CBGD CC(C)OC(=O)[C@H](C)NCc1ccc(B(O)O)cc1 863890152 NRCIERPHENJYNN-JTQLQIEISA-N 265.118 -0.204 50 20 CBGD OB(O)c1cccc(CNCCOCC(F)F)c1 863891357 NNQSDFPKZKEGAV-UHFFFAOYSA-N 259.061 -0.262 50 20 CBGD COCCOCC(=O)NNC(=O)CCc1ccccn1 869906520 NHMANILRIKVVDT-UHFFFAOYSA-N 281.312 -0.175 50 20 CBGD CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)N1CCOCC1 900426744 KPJSREJFNOBPND-RKDXNWHRSA-N 259.306 -0.534 50 20 CBGD C[C@H](CC[S@@](C)=O)NC(=O)c1ccc(B(O)O)cc1 900880205 SQZOKCXAUZMGLJ-AYLIAGHASA-N 283.158 -0.747 50 20 CBGD O=C(NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21)[C@@H]1CCCCO1 908517358 JMPYSOMROHHJHY-APHKKCJPSA-N 266.297 -0.072 50 20 CBGD C[C@@H]1[C@@H](N(C)C)CCN1CC(=O)NNC(=O)C1CC1 931039926 UMGGWIBVNRRUMN-KOLCDFICSA-N 268.361 -0.432 50 20 CBGD COC[C@](C)(NC(=O)NNC(=O)CO)C(F)(F)F 932331138 MIWZNSQICOTNKQ-ZETCQYMHSA-N 273.211 -0.724 50 20 CBGD CCc1nn(C)cc1NC(=O)C(=O)NNC(=O)C(C)C 1116618796 JTIDJHGBOVQPBU-UHFFFAOYSA-N 281.316 -0.276 50 20 CBGD C=CCNC(=S)NNC(=O)Cc1nc2ncccn2n1 1116909870 MMKYORSTAPHPHS-UHFFFAOYSA-N 291.340 -0.652 50 20 CBGD O=C(NNC(=S)NC1CCC1)C(=O)NC1CC1 1117697596 HQFWLOBJJHIXKV-UHFFFAOYSA-N 256.331 -0.687 50 20 CBGD CC(=O)N1CC[C@](C)(C(=O)N2CC[C@@H](B(O)O)C2)C1 1118976705 ZAJQKEJSGHVNTG-PWSUYJOCSA-N 268.122 -0.680 50 20 CBGD COC(=O)NNC(=O)Cc1c(C)nc2nc(N)nn2c1C 1248468040 SPNXQIJTRLNXPL-UHFFFAOYSA-N 293.287 -0.747 50 20 CBGD C[C@H](C(=O)NNC(=O)c1ccncc1)N1C(=O)CCC1=O 1251555602 WIKAVPCWRXZBNN-MRVPVSSYSA-N 290.279 -0.620 50 20 CBGD CNC(=O)NNC(=O)c1cc2c(cn1)OCCC2 1320003660 GWJVVXIGQRDJLO-UHFFFAOYSA-N 250.258 -0.020 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(O)cc1O 1320202460 IPYFVQPVZOPYBJ-UHFFFAOYSA-N 281.268 -0.617 50 20 CBGD C/C=C(\C)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1322375932 KAZXYSTXTOHOAS-DKCNVOGISA-N 275.330 -0.530 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)N[C@H]1CCNC1 1328350851 OCLUHBWERPDEIC-JTQLQIEISA-N 263.301 -0.684 50 20 CBGD O=C(c1cnc2[nH]c(O)nc2c1)N1CC[C@H](B(O)O)C1 1329291902 HBVOXMTYOZRMTD-ZETCQYMHSA-N 276.061 -0.648 50 20 CBGD CON=CC(=O)NNC(=O)c1n[nH]c2c1CCCC2 1329736710 INWQKGBYVHNALC-UHFFFAOYSA-N 265.273 -0.318 50 20 CBGD COCc1ccc(C=NNC(=O)CS(C)(=O)=O)o1 1331723015 PETILUZGTJSXDU-UHFFFAOYSA-N 274.298 -0.079 50 20 CBGD COC(=O)N(C)NC(=O)[C@H]1CN2CCN1C[C@H]2C 1347056379 QJEQLDCOPXAJIV-RKDXNWHRSA-N 256.306 -0.896 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1ccccn1 1347746293 NOWKFCVXMMEAGN-UHFFFAOYSA-N 252.230 -0.203 50 20 CBGD Cn1cncc1[C@@H]1C[C@H]1C(=O)NNC(=O)CCCN 1579985718 KCZQAEUFUUEPFI-RKDXNWHRSA-N 265.317 -0.590 50 20 CBGD C[C@]1(C(=O)NCC(=O)NCC(=O)O)C[C@H]1Br 1593749294 LEUDYPDZRZKXPC-ANLVUFKYSA-N 293.117 -0.523 50 20 CBGD C#CCCCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1602703877 ICPQPLGALVVVMQ-UHFFFAOYSA-N 287.283 -0.241 50 20 CBGD Cn1ccnc(NNC(=O)[C@@H]2CC[C@H]2C(=O)O)c1=O 1605511246 CULBKYFPSXXUMB-RNFRBKRXSA-N 266.257 -0.666 50 20 CBGD O=C(NNC(=O)c1cc[nH]n1)c1ccc(-c2nn[nH]n2)cc1 1606854331 YGSGLXCTLISSON-UHFFFAOYSA-N 298.266 -0.335 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@H]1C[C@@H](O)C1 1606857900 GSYQWFJPUOKMDX-OCAPTIKFSA-N 275.272 -0.524 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)NC(C)C)oc1C(=O)O 1607580506 PYQTYIFYOJZFCW-UHFFFAOYSA-N 297.267 -0.428 50 20 CBGD Cc1n[nH]cc1CCCNC(=O)NNC(=O)C(=O)O 1610404696 IZIYCCNSRGBPLM-UHFFFAOYSA-N 269.261 -0.934 50 20 CBGD C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CC=C(C#N)CC1 1647132545 KNYOCJCFGCIUPN-CMPLNLGQSA-N 297.380 -0.166 50 20 CBGD COCCCNC(=O)NNC(=O)Cn1nc(C)cc1C 42901281 LVEINYLQDNRLIS-UHFFFAOYSA-N 283.332 -0.133 50 20 CBGD CN(C)CC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 263847976 LIMVCDIULRIQNN-UHFFFAOYSA-N 296.283 -0.317 50 20 CBGD COCCN1CC[C@@H](NC(=O)NNc2ncccn2)C1 265720048 GMWGFPNEJOFYJM-SNVBAGLBSA-N 280.332 -0.177 50 20 CBGD CC[C@H](C)OCC(=O)NNC(=O)C(=O)N1CCCC1 269743043 LPDMKIKHGLNGQI-VIFPVBQESA-N 271.317 -0.429 50 20 CBGD CC[C@@H](C(=O)NNC(=O)Cc1ccncc1)C(=O)OC 276919607 QNSCGUJFGPQGAW-JTQLQIEISA-N 279.296 -0.029 50 20 CBGD CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)NC1CC1 285038702 IXTSNPHTFNGRDA-SNVBAGLBSA-N 268.317 -0.120 50 20 CBGD CCO/C=C(/C#N)C(=O)NC[C@H](C)S(C)(=O)=O 490754641 REYLJNNTRJLUMP-FZGDARCMSA-N 260.315 -0.020 50 20 CBGD C[C@H](O)c1cn(CC(=O)NNC(=O)OC(C)(C)C)nn1 493537888 BDCDJRFPLYXOKA-ZETCQYMHSA-N 285.304 -0.113 50 20 CBGD CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(B(O)O)ccc1F 584969667 OYWCRCKNMRSYIJ-PRHODGIISA-N 283.108 -0.358 50 20 CBGD O=C(NCCCCn1ccnn1)c1cccc(B(O)O)c1 584972948 KGQCGWAHJHKQHH-UHFFFAOYSA-N 288.116 -0.832 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC(OC(F)F)C1 584984166 SHIIZWHUAYWHSD-UHFFFAOYSA-N 271.028 -0.570 50 20 CBGD CO[C@](C)(CNC(=O)c1ccc(B(O)O)cc1)C1CC1 584990919 OEZSFEIHRIYNGK-CQSZACIVSA-N 277.129 -0.089 50 20 CBGD CO[C@@]1(C)CCN(C(=O)c2ccc(B(O)O)cc2)C1 584997448 CITAHBLVIICJHJ-ZDUSSCGKSA-N 263.102 -0.383 50 20 CBGD C[C@@H]1O[C@H](C)C[C@H]1CNC(=O)c1ccc(B(O)O)cc1 585001997 JTTHCWPPMQNILY-SCVCMEIPSA-N 277.129 -0.090 50 20 CBGD Cc1noc(C)c1CNCc1ccc(B(O)O)o1 585018252 JDQBWHLZLFUQFP-UHFFFAOYSA-N 250.063 -0.146 50 20 CBGD Cn1cc(CCNCc2ccc(B(O)O)cc2F)cn1 585042064 ZAHJLOUDAIHDTQ-UHFFFAOYSA-N 277.108 -0.429 50 20 CBGD C[C@@H](Cc1cnn(C)c1)NCc1cccc(B(O)O)c1 585044230 BQYGRCIRQPPCOD-NSHDSACASA-N 273.145 -0.179 50 20 CBGD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCB(O)O 585054079 HMUVVTURWMJELT-UHFFFAOYSA-N 274.063 -0.806 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)c2ccc3c(c2)OCO3)CC1 731597228 GAECYIOZIALZAF-UHFFFAOYSA-N 291.263 -0.558 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](O)C(C)(C)C 735416803 ITSQHZGFQZQRPT-VXNVDRBHSA-N 274.317 -0.118 50 20 CBGD O=C(C[C@H]1CCOC1)NNC(=O)N1CCOCC1 739713870 WDPILKOSNMLUAU-SECBINFHSA-N 257.290 -0.514 50 20 CBGD CC[C@H](C(=O)NNC(=O)c1c[nH]nc1C)N1CCCC1=O 743339930 UJOPACPYTJIJHJ-SNVBAGLBSA-N 293.327 -0.120 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1ccc(C#N)cc1 748116495 GBWVTMJBFLOCOB-UHFFFAOYSA-N 268.298 -0.449 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cc3n(n2)CCCO3)n[nH]1 762191835 FLLZYTPJZUIGKY-UHFFFAOYSA-N 290.283 -0.228 50 20 CBGD N#CCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763234512 WAIWUVOSZOXLHH-JTQLQIEISA-N 261.237 -0.113 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCN2CCC[C@@H]12 765575078 GGTCTWNCAXVKAJ-SCZZXKLOSA-N 288.373 -0.736 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cnn(C)c1N 772170982 VEKPDSVGTOEHGV-LURJTMIESA-N 283.288 -0.895 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccnc(C)n1 776492903 AQSHMDWVONSAMJ-QMMMGPOBSA-N 297.315 -0.011 50 20 CBGD N#CC1=CCN(CC(=O)NCC(=O)N2CCCC2)CC1 779589225 DZZOLRHMNSIIDW-UHFFFAOYSA-N 276.340 -0.119 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1csc(N)n1 788972134 WWZIAXGDPICPGJ-RXMQYKEDSA-N 286.313 -0.172 50 20 CBGD CC(=O)NNC(=O)Nc1cc(C(=O)N(C)C)ccn1 794283909 DMCOQSOOVZTQJF-UHFFFAOYSA-N 265.273 -0.044 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN[C@]1(C)CCOC1=O 810098574 RJBVHLAYLBWDNY-GFCCVEGCSA-N 271.317 -0.525 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnnn1CC 815527723 OBEKHLSGJABJQT-SSDOTTSWSA-N 283.288 -0.599 50 20 CBGD Cc1c(CC(=O)NNC(=O)N=c2cc[nH]cc2)cnn1C 816596130 PXOBWBBBCPBTQN-UHFFFAOYSA-N 288.311 -0.059 50 20 CBGD CC(C)[C@H](C(=O)NN(C)[C@H](C)CO)N1CCCC1=O 823965493 NPDDRPFADKGBHI-ZYHUDNBSSA-N 271.361 -0.023 50 20 CBGD CO[C@@H]1COC[C@@H]1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 826963008 JAOLEWPYPKEEOL-XFWSIPNHSA-N 287.316 -0.844 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@H]1C(=O)O 828441931 VMNVJKVIAOMZMX-RKDXNWHRSA-N 285.344 -0.168 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1 830596431 MLDVDUHMLABWRD-IUCAKERBSA-N 271.317 -0.414 50 20 CBGD Cc1cc(C(=O)NNC(=O)C[C@H]2CCC(=O)N2)n[nH]1 831418309 LNTRTWMYVRDLQD-SSDOTTSWSA-N 265.273 -0.852 50 20 CBGD CCS(=O)(=O)N[C@H](C)C(=O)NN=c1cc[nH]cc1 831868403 VQARPOWZMFRGBZ-MRVPVSSYSA-N 272.330 -0.726 50 20 CBGD CCn1ccc(C(=O)NNC(=O)N2CCN(C)CC2)n1 844138774 YQCLDJXNRBWEEC-UHFFFAOYSA-N 280.332 -0.495 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN[C@@H]1C[C@@H](O)C1(C)C 846962378 XTDVOMUAUMTXMS-RKDXNWHRSA-N 271.361 -0.071 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)Cn1nc(C)cc1C 854233435 ZUBVMIVLKVANQB-JTQLQIEISA-N 284.316 -0.691 50 20 CBGD COC(=O)N(C)NC(=O)Cc1nnn(C(C)(C)C)n1 854409681 KPIMEDZOFVODQZ-UHFFFAOYSA-N 270.293 -0.300 50 20 CBGD CCOCC1(C(=O)NNC(=O)c2cc[nH]n2)CC1 855355872 ISXXSHFQJRWZEN-UHFFFAOYSA-N 252.274 -0.013 50 20 CBGD CCOC(=O)NCCCC(=O)NNc1cnnn1C 857274038 YDHBPCYOWIFYRI-UHFFFAOYSA-N 270.293 -0.216 50 20 CBGD C[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)[C@@H](C)[C@H]1C 858702173 CSZRRLPDKVTRTP-KATARQTJSA-N 282.344 -0.018 50 20 CBGD CCNC(=O)N(C)NC(=O)Cn1cc(C(=O)OC)cn1 860668498 RQYJVZCIWWIDGU-UHFFFAOYSA-N 283.288 -0.638 50 20 CBGD O=C(CCN1CCOC1=O)NNC(=O)c1cn[nH]c1 862473882 BXPIOHUZNWXYIZ-UHFFFAOYSA-N 267.245 -0.987 50 20 CBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cc(C)nn1C 863150975 BLYMSQPCCAWZOS-VIFPVBQESA-N 263.301 -0.153 50 20 CBGD Cn1c(Cl)cnc1C=NNC(=O)[C@@H]1CCC(=O)N1 863150982 BOIXHGBLYOFGDQ-LURJTMIESA-N 269.692 -0.198 50 20 CBGD CC(=O)C[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F 863876058 MTCREPXNOZXOGV-SSDOTTSWSA-N 267.065 -0.397 50 20 CBGD COC(=O)C1(CNCc2cccc(B(O)O)c2)CC1 863891382 OLUDVTLDKNKOQP-UHFFFAOYSA-N 263.102 -0.591 50 20 CBGD CS(=O)(=O)CCS(=O)(=O)NCC(Cl)Cl 867470126 JOPKXTRJEIOLJQ-UHFFFAOYSA-N 284.186 -0.246 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CCc2cccnc21 869906087 QUIJINOXTJGGCD-LLVKDONJSA-N 293.323 -0.078 50 20 CBGD C#CCSCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 892229969 YEAZNNQPBDPXFX-BDAKNGLRSA-N 256.327 -0.075 50 20 CBGD O=CN1CCC[C@H]1c1nc(-c2cccc(B(O)O)c2)no1 896943187 DVDRQHBUAXMNCG-NSHDSACASA-N 287.084 -0.290 50 20 CBGD CSSCCNC(=O)[C@H]1OCCN(C)C1=O 908070173 WYRMTNKYZYOLOL-SSDOTTSWSA-N 264.372 -0.029 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 910159732 CBSYCQWVYYHDON-RKDXNWHRSA-N 295.405 -0.706 50 20 CBGD COCCNCC(=O)NNC(=O)c1ccccc1 916570453 NHFRPKKSFJJNIL-UHFFFAOYSA-N 251.286 -0.316 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1COC[C@H]1C 926008737 BSJBQEMFLAFXFR-OPRDCNLKSA-N 289.332 -0.597 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCOC2(CCC2)C1 1116307089 NDPJIMRFRFJVGP-MRVPVSSYSA-N 285.300 -0.409 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccnnc1C 1253570816 RWWUGFZLGDXAGF-UHFFFAOYSA-N 293.327 -0.149 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccccc1F 1319299945 NWYYAOWZWQFACF-UHFFFAOYSA-N 269.232 -0.171 50 20 CBGD C[C@@H](NCC(=O)NNC(=O)C(C)(C)C)c1nncn1C 1320456283 ILUOMFQTLWLXDE-MRVPVSSYSA-N 282.348 -0.341 50 20 CBGD CC(=O)CCCC(=O)NNC(=O)C(=O)Nc1ccccn1 1321348659 HJMTYZIGTXCTOV-UHFFFAOYSA-N 292.295 -0.073 50 20 CBGD Cn1ccc(C(=O)NNC(=O)NCC(F)(F)F)cc1=O 1322554419 AZMOAZSGNCEUOS-UHFFFAOYSA-N 292.217 -0.108 50 20 CBGD O=C(NNC(=O)N1CCN(C(=O)C2CC2)C1)c1cn[nH]c1 1329759737 PVRVLGHENSSFGA-UHFFFAOYSA-N 292.299 -0.724 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)C1CCOCC1 1330828842 FSDKTBZMPXVSNT-MRVPVSSYSA-N 271.317 -0.525 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1C[C@@H](C(=O)OC)C1 1346977445 YTAPNKBROFVZKA-OCAPTIKFSA-N 257.290 -0.122 50 20 CBGD CC(C)CC(=O)NNC(=O)N[C@@H](C)c1nnnn1C 1521197389 KFQBJEKMBFMGQV-ZETCQYMHSA-N 269.309 -0.352 50 20 CBGD CC1(C)CN[C@@H]1C(=O)NNC(=O)NCC(F)(F)F 1573615280 VRKCUBKGFOAXRO-RXMQYKEDSA-N 268.239 -0.123 50 20 CBGD CC[C@H](O)[C@@H](C)C(=O)NNC(=O)[C@@H]1CCCNC1 1577181792 HILBELXCKQKVOJ-BBBLOLIVSA-N 257.334 -0.460 50 20 CBGD Cc1nnc(NNC(=O)N[C@H]2[C@@H]3C[C@@H]2CN3)n1C 1579912812 QBSLNXLYJVWURF-GJMOJQLCSA-N 251.294 -0.890 50 20 CBGD CC(C)(C)c1coc(CNC(=O)NNC(=O)C(=O)O)n1 1590527159 VBXSZUSQYKURJJ-UHFFFAOYSA-N 284.272 -0.113 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1 1593457740 YICICTXSZUAQOI-BZNPZCIMSA-N 260.290 -0.792 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1ccccc1C(=O)O 1598139973 KURKJNADUAXFDO-UHFFFAOYSA-N 287.297 -0.151 50 20 CBGD Cc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)C(=O)O 1600018421 MALIJZJXAOOFFF-UHFFFAOYSA-N 299.670 -0.181 50 20 CBGD O=C1CC[C@H](C(=O)NN=C2C[C@H]3C[C@@H](C(=O)O)[C@H]2C3)N1 1602637958 JIZKBHMNGZZNAT-FNCVBFRFSA-N 279.296 -0.132 50 20 CBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNc2ccccc2C(=O)O)O1 1608241018 WBNCZSIPWUBOSY-VHSXEESVSA-N 293.279 -0.139 50 20 CBGD CC(C)NC(=O)C(=O)NN=Cc1cc(C(=O)O)cn1C 1776027326 UBIMYSLHJYIDET-UHFFFAOYSA-N 280.284 -0.302 50 20 CBGD CN(C)c1ccc(C(=O)O)cc1C=NNC(=O)CO 1776052695 JJPKSGVXIVMBCE-UHFFFAOYSA-N 265.269 -0.107 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 48949725 SEOIOKDSJUDMJD-LHLIQPBNSA-N 272.330 -0.599 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cncc(O)c1 117973406 PNOLAZZQIQHQRI-UHFFFAOYSA-N 261.241 -0.106 50 20 CBGD C#CCN1CCC(C(=O)NNC(=O)c2cc(C)n[nH]2)CC1 151154839 BAZRROPQVCBCBP-UHFFFAOYSA-N 289.339 -0.176 50 20 CBGD CN(C)C(=O)CNC(=O)C(=O)NNc1cccc(Cl)c1 155657641 DZNFVVBEIZHYPO-UHFFFAOYSA-N 298.730 -0.013 50 20 CBGD COC(=O)NNC(=O)CCn1c(C)csc1=O 194632689 BBYQQMYCMGXHHO-UHFFFAOYSA-N 259.287 -0.004 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)N1CCOCC1 264651883 XGVRNJWFGGAINE-UHFFFAOYSA-N 295.295 -0.156 50 20 CBGD COC(=O)c1cc(NC(=O)NNC(C)=O)cn1C 274210245 QEKODXHWPNLFTB-UHFFFAOYSA-N 254.246 -0.016 50 20 CBGD CC[C@H](C(=O)NNC(=O)N1CCOCC1)C(=O)OC 276627667 PHASEIOFNWTQID-MRVPVSSYSA-N 273.289 -0.741 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc(C2CC2)no1 281932160 KBLBGXDBZJHYME-UHFFFAOYSA-N 252.274 -0.125 50 20 CBGD Cn1cc(C(=O)CCC(=O)NNC(=O)[C@@H]2CCCO2)cn1 292175534 QARAGWZZJULOMB-NSHDSACASA-N 294.311 -0.291 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)CCn2cccn2)O1 293824355 FPAREMFISFHLQC-UWVGGRQHSA-N 266.301 -0.012 50 20 CBGD COC(=O)N(C)NC(=O)c1ccc(S(N)(=O)=O)cc1 496234307 BNRJPASFWCEWDE-UHFFFAOYSA-N 287.297 -0.323 50 20 CBGD O=C(NCCOC(F)(F)F)c1cccc(B(O)O)c1 584979666 AZUHTURJPSIFTQ-UHFFFAOYSA-N 277.007 -0.367 50 20 CBGD C[C@@H]1C[C@@H](CO)CN(C(=O)c2ccc(B(O)O)c(F)c2)C1 585000378 MADMKBGXQNHWGE-NXEZZACHSA-N 295.119 -0.404 50 20 CBGD COCCCN1CCC(NCc2ccc(B(O)O)o2)CC1 585020887 LLXQEWQOVUYGSQ-UHFFFAOYSA-N 296.176 -0.450 50 20 CBGD C[C@H](C[S@](C)=O)NCc1cccc(B(O)O)c1 585035508 VHYUTMAGYCCZAE-XLFHBGCDSA-N 255.148 -0.777 50 20 CBGD CC[C@H](NCc1ccc(B(O)O)o1)[C@H](O)C(F)F 585044068 YFJCQYQCQPIFFF-CBAPKCEASA-N 263.049 -0.546 50 20 CBGD Cc1cc(C(=O)NCB(O)O)c(C)n1-c1cnccn1 585062673 LTOOPDFIJAMJEM-UHFFFAOYSA-N 274.089 -0.374 50 20 CBGD C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](B(O)O)C2)C1 585066530 PQEKCDREHXNAAQ-NXEZZACHSA-N 268.122 -0.680 50 20 CBGD C[C@@H](C#N)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 735505861 WNJZUCYUQKEFHC-ZETCQYMHSA-N 285.267 -0.213 50 20 CBGD O=C(CCn1cccc1)NNC(=O)C(=O)N1CCCC1 746184770 CJIDPOFJZOSCAQ-UHFFFAOYSA-N 278.312 -0.352 50 20 CBGD COc1ccnc(NNC(=O)N[C@H]2CCOC2)n1 752703819 KSZSPFYJSRXLGH-ZETCQYMHSA-N 253.262 -0.100 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCCCO1 755290531 QAEXJVATIVCMDG-VIFPVBQESA-N 252.274 -0.331 50 20 CBGD CCOCCC(=O)NNc1ccc(C(N)=O)nn1 757399018 LDGRQFBPKWYWKU-UHFFFAOYSA-N 253.262 -0.555 50 20 CBGD CCCNC(=O)NNC(=O)Cc1nnc(NC)s1 759621268 PSAJFHGZTVZFSN-UHFFFAOYSA-N 272.334 -0.137 50 20 CBGD C=CCNC(=S)NNC(=O)c1cn(CCC)nn1 766554293 JBBPKZHJWHJTNY-UHFFFAOYSA-N 268.346 -0.017 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 770755770 IKDAPWHICZDZBR-WCBMZHEXSA-N 285.344 -0.136 50 20 CBGD C#CCOc1ccccc1NC(=O)C(=O)NNC(C)=O 773489971 FOXSFDIHXMQCTD-UHFFFAOYSA-N 275.264 -0.196 50 20 CBGD CCNC(=O)NNC(=O)CC(=O)NCC(F)(F)F 779659049 KMLIDXOFGLWKKG-UHFFFAOYSA-N 270.211 -0.595 50 20 CBGD C[C@H](C(=O)NNC(=O)C1CC1)[C@@H](C)S(C)(=O)=O 788262018 ACGVMISOKKQPGM-NKWVEPMBSA-N 262.331 -0.387 50 20 CBGD CC[C@H](C(=O)NNC(=O)c1c[nH]nc1C)C(=O)OC 790600505 YVOAXXYAVNADPM-SSDOTTSWSA-N 268.273 -0.322 50 20 CBGD CN1CC[C@H](C(=O)NNc2nc3ccccn3n2)C1=O 791258346 GTCCZIRCUQDOGA-MRVPVSSYSA-N 274.284 -0.349 50 20 CBGD COC(=O)[C@@H]1[C@H]2CN(CC(=O)NNC(=O)C(C)(C)C)C[C@H]21 794987629 YMMSOFUSLDEJJZ-JZYVYDRUSA-N 297.355 -0.469 50 20 CBGD CC(C)(C(=O)NNC(=O)NC1CC1)N1CCOCC1 801140358 KCRSYSQMFMTIHV-UHFFFAOYSA-N 270.333 -0.410 50 20 CBGD COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)C(=O)NC(C)C 812532867 JJLXDNRYBAPMSS-RKDXNWHRSA-N 273.333 -0.423 50 20 CBGD O=C(Cn1ccccc1=O)NNc1ncncc1F 817079511 TVGGVJWGMFBLME-UHFFFAOYSA-N 263.232 -0.079 50 20 CBGD NC(=O)c1cc(C(=O)NNC(=O)CC2CC2)co1 819114856 SXPXIEMFKSRTLS-UHFFFAOYSA-N 251.242 -0.060 50 20 CBGD COCC(=O)NNC(=O)Nc1cccc(-c2nn[nH]n2)c1 821680778 UPFVHAVERYMGCN-UHFFFAOYSA-N 291.271 -0.334 50 20 CBGD CCN(CCO)NC(=O)C(F)(F)C1(O)CCC1 823869610 MRXIILXGJUDQFJ-UHFFFAOYSA-N 252.261 -0.118 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F 823901708 DTCDKOYPXYLZMQ-BWZBUEFSSA-N 297.277 -0.355 50 20 CBGD CCCNC(=O)NNC(=O)[C@H]1CCCc2nn[nH]c21 823951479 QSLRKHANKDHJCS-ZETCQYMHSA-N 266.305 -0.035 50 20 CBGD C#CCN1CCC(C(=O)NN(C)[C@@H](C)CO)CC1 823965657 REIOIRAXUJXIDG-NSHDSACASA-N 253.346 -0.325 50 20 CBGD COc1coc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1=O 843657294 QDUNSDVVPDHCQQ-JGVFFNPUSA-N 296.279 -0.166 50 20 CBGD CCN1C[C@H](CNC(=O)NNC(=O)C2CCC2)CC1=O 845498264 WOQRGAMWYKIHJG-VIFPVBQESA-N 282.344 -0.015 50 20 CBGD O=C(NNC(=O)[C@H]1CCCS1(=O)=O)[C@@H]1CCCCO1 847057505 FTOBKWSZYFZLCM-DTWKUNHWSA-N 290.341 -0.720 50 20 CBGD CO[C@@H](C)CNC(=O)NNC(=O)N=c1cc[nH]cc1 852531821 VWJRLVQSZTXEQJ-QMMMGPOBSA-N 267.289 -0.126 50 20 CBGD C=C[C@@H](O)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 854516046 GHLZSOCWHMLMTR-RKDXNWHRSA-N 262.331 -0.974 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 854997963 VPUBLFHCKZTODB-QWWZWVQMSA-N 255.152 -0.249 50 20 CBGD CO[C@@H](C)[C@H](C)NC(=O)NNC(=O)c1cn[nH]c1 858380461 BWERHBPPOWPPHO-BQBZGAKWSA-N 255.278 -0.223 50 20 CBGD CCO[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)C1CC1 858935077 DNYDKWBTQOFLHO-JTQLQIEISA-N 283.328 -0.429 50 20 CBGD CSCC[C@H](NC(N)=O)C(=O)NN(C)C1CC1 862036727 AXUZSCXPFOKVCJ-QMMMGPOBSA-N 260.363 -0.098 50 20 CBGD CC(C)(CCC(=O)NNC(=O)[C@@H]1CCC(=O)N1)[N+](=O)[O-] 862460692 KCYINPAXILLIDH-ZETCQYMHSA-N 286.288 -0.752 50 20 CBGD Cc1ccc(F)cc1C(=O)NNC(=O)CS(C)(=O)=O 863458918 IRJKCSSQQQWXGK-UHFFFAOYSA-N 288.300 -0.060 50 20 CBGD C[C@H](NC(=O)c1cccc(B(O)O)c1)[C@@H](O)C(F)(F)F 863886114 UQEVIPXRKDGUEC-IMTBSYHQSA-N 291.034 -0.592 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H]2CC[C@H](C1)N2 866679735 XAERGJHSKNMCPW-LPEHRKFASA-N 254.334 -0.632 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc(N(C)C)c(F)c1 873802961 ZIDXLXLNRJZGEB-UHFFFAOYSA-N 282.275 -0.003 50 20 CBGD COC[C@@H](NS(=O)(=O)CCCCl)C(N)=O 882023676 LIBMUJMCVBQZMV-ZCFIWIBFSA-N 258.727 -0.965 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=S)NC(C)(C)C 899996268 ITFHSQUQHLDOCB-SNVBAGLBSA-N 263.363 -0.322 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cc(Cn2cccn2)on1 910147008 IIAWHSCQEVKREQ-SECBINFHSA-N 279.300 -0.123 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H](C)Cc1cnn(C)c1 910149948 OHWBXVIKGKVQLA-UWVGGRQHSA-N 254.334 -0.058 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CCOC1CCOCC1 910165357 GUNUZYLBFGKDEN-SNVBAGLBSA-N 260.334 -0.084 50 20 CBGD O=C(Cn1ccccc1=O)NNC(=O)[C@@H]1CCOC1 921202881 ITRFOCWDIDHUCM-SECBINFHSA-N 265.269 -0.968 50 20 CBGD N#C[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 928231151 FVMJOJWSKILUIX-SNVBAGLBSA-N 258.086 -0.258 50 20 CBGD C[C@]1(NNC(=O)NCCC#N)CCS(=O)(=O)C1 1116830287 SYUSYNHHUBZTJK-VIFPVBQESA-N 260.319 -0.719 50 20 CBGD C=C[C@@](C)(O)CC(=O)NNC(=O)Cc1cc[nH]n1 1117740742 TUPCGDKTZGFJDM-LLVKDONJSA-N 252.274 -0.573 50 20 CBGD CC(C)NC(=O)C(=O)NN=Cc1cnc2n1CCC2 1118522765 BWGQYQCSXYTRIG-UHFFFAOYSA-N 263.301 -0.196 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccn(CC(F)(F)F)n1 1120722399 SKCGCUKORGCOJC-UHFFFAOYSA-N 294.233 -0.023 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CCC=CO1 1255360039 KWUQJPSNZISSKF-SSDOTTSWSA-N 257.246 -0.818 50 20 CBGD Cc1ncncc1C(=O)NNC(=O)c1c[nH]nc1C 1318377192 AZJVMSRYQHYYRI-UHFFFAOYSA-N 260.257 -0.109 50 20 CBGD Cc1nn(C)cc1C=NNC(=O)N[C@H]1CCS(=O)(=O)C1 1319705243 GZBZBJUXGFZOIK-JTQLQIEISA-N 299.356 -0.451 50 20 CBGD COc1ccc(C(=O)NNC(=O)C2(NC(N)=O)CC2)cc1 1319768748 BEKVHDAREDQYSV-UHFFFAOYSA-N 292.295 -0.343 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCOC(C)(C)C1 1320413527 AMRNXXNHGLMDGA-SSDOTTSWSA-N 273.289 -0.553 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cn(C)c2c(cnn2C)c1=O 1332629647 WMHFUOZDCUVRQH-QMMMGPOBSA-N 293.327 -0.771 50 20 CBGD CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1337369854 MKHNLOBULCUJCM-XHNCKOQMSA-N 269.301 -0.773 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CC[C@@]1(C)CCC(=O)N1 1339599284 JKAIYUIIHSWFKC-CYBMUJFWSA-N 298.343 -0.893 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1ncccn1)[C@@H]1CCC(=O)N1 1348353863 JHTFEIKMHBCGCZ-SFYZADRCSA-N 277.284 -0.848 50 20 CBGD N#CSCCCNC(=O)CN1CCC(=O)NC1=O 1351001047 KNDROLYYIOEAAA-UHFFFAOYSA-N 270.314 -0.351 50 20 CBGD CC(C)C[C@H](N)CC(=O)NNC(=O)N1CCN(C)CC1 1575645588 GUUDXDWWGMUTRM-NSHDSACASA-N 285.392 -0.262 50 20 CBGD O=C(NNC(=O)C(F)(F)C1(O)CCC1)[C@@H]1CCN1 1580732966 LFTUFEVUFHLBNC-LURJTMIESA-N 263.244 -0.954 50 20 CBGD CCC(CC)(C(=O)O)C(=O)NNC(=O)[C@H]1COCCO1 1589476021 PSMFNFOWNNVILH-MRVPVSSYSA-N 288.300 -0.560 50 20 CBGD CCOC(=O)NNC(=O)c1cc(C(=O)O)nn1C 1590884157 MWVQEVJMPUUGPX-UHFFFAOYSA-N 256.218 -0.491 50 20 CBGD CNC(=O)NNC(=O)c1sccc1-c1nn[nH]n1 1591211927 GIHRFHBUWUDZQV-UHFFFAOYSA-N 267.274 -0.498 50 20 CBGD CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)c(OC)c1 1591212289 PEGIEQIWRXZNKF-UHFFFAOYSA-N 291.271 -0.551 50 20 CBGD Cc1nc(-c2nn[nH]n2)cc(N2CC[C@H](B(O)O)C2)n1 1592338002 SFQHJWURPNUAON-ZETCQYMHSA-N 275.081 -0.982 50 20 CBGD CC[C@](COC)(NCC(=O)NNC(=O)C1CC1)C(=O)O 1595194497 HSBXKJVUOBWILK-GFCCVEGCSA-N 287.316 -0.987 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1ccc(C(=O)O)o1 1605492601 ATEUSSWXCMPFFG-UHFFFAOYSA-N 291.285 -0.168 50 20 CBGD O=C(NCc1ccn(C2CCCC2)n1)NNC(=O)C(=O)O 1610698407 UFQHNDGKARRTPH-UHFFFAOYSA-N 295.299 -0.087 50 20 CBGD O=C(O)CNC(=O)NNS(=O)(=O)c1cccc(F)c1 1610783697 PYZWFADHXMBQGE-UHFFFAOYSA-N 291.260 -0.597 50 20 CBGD CN1C[C@H](C(=O)NNC(=O)c2cccc(C#N)c2)CC1=O 103402192 IKUQNLSIOIVFMQ-LLVKDONJSA-N 286.291 -0.202 50 20 CBGD CN(CCN1CCCC1=O)CC(=O)NNC(=O)C1CC1 112982136 GSPMAPWYNNWYAN-UHFFFAOYSA-N 282.344 -0.902 50 20 CBGD CCOC(=O)/C(C#N)=C/N[C@H](C)CS(C)(=O)=O 172011000 LQOYNFQNTAPRRN-GTUWVTDSSA-N 260.315 -0.020 50 20 CBGD C[C@@H]1CN(S(=O)(=O)CBr)C[C@@H](CO)O1 230003142 VLIAXHYDSVWALX-RQJHMYQMSA-N 288.163 -0.250 50 20 CBGD C=CCOC(=O)/C(C#N)=C\c1cn(C)c(=O)n(C)c1=O 255369977 HVVUBDOPPNVIOW-TWGQIWQCSA-N 275.264 -0.280 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)c1cccc(C)n1 279876888 WVPWCVKGAKMJBV-QMMMGPOBSA-N 280.284 -0.104 50 20 CBGD O=C(/C=C/c1cncs1)NNC(=O)C(=O)N1CCCC1 282386407 IQJZHHZBRJPPJJ-ONEGZZNKSA-N 294.336 -0.074 50 20 CBGD Cn1nnc2c(C(=O)NNC(=O)C3CCC3)ccnc21 283119505 HNBIYUXBTADVRY-UHFFFAOYSA-N 274.284 -0.076 50 20 CBGD COC(=O)N(C)NC(=O)CCn1cc([N+](=O)[O-])cn1 286306999 KFSOWRRPOLMTPQ-UHFFFAOYSA-N 271.233 -0.089 50 20 CBGD CC[C@H](C(=O)NNC(=O)[C@H]1CCCCO1)C(=O)OC 295694477 ZLULLJVXXNZIES-RKDXNWHRSA-N 272.301 -0.098 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)CC1CC1 299614029 FFMUUNGSFVKVMH-UHFFFAOYSA-N 265.269 -0.043 50 20 CBGD COC(=O)NCCC(=O)NNC(=O)c1cccn1C 491015408 CCAFDRQTHJMYHQ-UHFFFAOYSA-N 268.273 -0.468 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2NC(=O)O[C@H]2C)o1 496889190 AUYZSPYSXLOWJF-XPUUQOCRSA-N 267.241 -0.154 50 20 CBGD C[C@H]1C[S@](=O)CCN1C(=O)c1cc(B(O)O)ccc1F 584951865 ZYAXJRJTYUQJKF-FFVOIRBGSA-N 299.132 -0.902 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@@](F)(CO)C1 584990098 OMYHFXAAYGFLGC-ZDUSSCGKSA-N 299.082 -0.558 50 20 CBGD C[C@@H]1CC[C@@H](CNC(=O)c2ccc(B(O)O)c(F)c2)O1 584998723 QRXYMQFWQFRSSZ-SCZZXKLOSA-N 281.092 -0.197 50 20 CBGD C[C@H](COCC1CC1)NC(=O)c1cccc(B(O)O)c1 585004296 CFOZFIVJLCREQZ-SNVBAGLBSA-N 277.129 -0.089 50 20 CBGD CCOC[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)CCO1 585010040 IKBPWEWTPUWKDA-CYBMUJFWSA-N 293.128 -0.756 50 20 CBGD COCCOCCCNCc1cccc(B(O)O)c1 585015341 XJTDBUAPCRBYSG-UHFFFAOYSA-N 267.134 -0.491 50 20 CBGD O=C1CC[C@@H](NCc2ccc(B(O)O)cc2)[C@H](C2CC2)N1 585040799 AXGHKRLGYTVVRB-HIFRSBDPSA-N 288.156 -0.487 50 20 CBGD O=C1[C@@H](NCc2cccc(B(O)O)c2)C[C@@H]2CCCCN12 585044718 RBVMFPVAYVURNN-KBPBESRZSA-N 288.156 -0.391 50 20 CBGD CN1CCN(Cc2ccc(C(=O)NCB(O)O)cc2)CC1 585060117 AFYFKGHSISUQTG-UHFFFAOYSA-N 291.160 -0.824 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cccn1C 728436512 GTHZZYDSACZCLG-QMMMGPOBSA-N 272.330 -0.587 50 20 CBGD CC(C)n1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)n1 733142650 POCNELHXEOQBQC-UHFFFAOYSA-N 293.327 -0.153 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)Oc1cccnc1 735464320 PJZILVIZQVJQPR-VIFPVBQESA-N 294.311 -0.479 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2C[C@H]2C(=O)O)n1 738369703 PUVBZGKZHYXSSO-RKDXNWHRSA-N 280.284 -0.632 50 20 CBGD O=C(O)NCCC(=O)NNC(=O)c1ccncc1 739938053 MXQAWXFLBQLDTI-UHFFFAOYSA-N 252.230 -0.500 50 20 CBGD COC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)CN(C)C)C1 751061164 VXAOUONOFHLPMP-ZJUUUORDSA-N 285.344 -0.325 50 20 CBGD CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CC1 770746262 LNEPSMDSJKBKCC-QMMMGPOBSA-N 291.373 -0.492 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)c1cnccn1 772219671 KADFMCZDEKHNFO-SECBINFHSA-N 250.258 -0.193 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCO[C@@H]1C 772234214 HFMKYXVLSMTBRD-HRDYMLBCSA-N 272.301 -0.100 50 20 CBGD COCC[C@@]1(NCC(=O)NNC(=O)C2CC2)CCOC1 773942393 CKZQTOZYXCHZSW-CYBMUJFWSA-N 285.344 -0.671 50 20 CBGD O=C(CO)NNC(=O)c1cccc(NC(=O)C2CC2)c1 777782855 SENVLBQGRWMGRX-UHFFFAOYSA-N 277.280 -0.212 50 20 CBGD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NNc1ccccn1 779543390 BTPDRSAJCOBJFA-KWQFWETISA-N 278.312 -0.200 50 20 CBGD COC[C@@](C)(O)C(=O)NNc1ccc(OC)cn1 781526386 VTQZOTLLTYJMFU-LLVKDONJSA-N 255.274 -0.069 50 20 CBGD COC(=O)[C@H]1CCN(CC(=O)NNC(=O)C2CC2)[C@H]1C 787326833 WNVZIJILXOGNFQ-WPRPVWTQSA-N 283.328 -0.573 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H](COC)[C@@H]1CCCO1 789335160 PMALLCZHTAWOPO-ZJUUUORDSA-N 289.332 -0.453 50 20 CBGD NC(=O)c1ccc(CC(=O)NNC(=O)C2CC2)cc1 792563962 TWJQFHFYPDLYQY-UHFFFAOYSA-N 261.281 -0.115 50 20 CBGD CCNC(=O)NNC(=O)[C@@H](NC(C)=O)[C@@H](C)CC 795587122 KKPUNYGHWVMZBL-CBAPKCEASA-N 258.322 -0.113 50 20 CBGD CCN(CCO)NC(=O)[C@H](C)NC(=O)C(C)(C)C 823841187 DZSNVEQVIFVNPL-VIFPVBQESA-N 259.350 -0.117 50 20 CBGD CCN(CCO)NC(=O)c1ccc(-n2nnnc2C)cc1 823893681 SCWSHQLIWJDTEK-UHFFFAOYSA-N 290.327 -0.070 50 20 CBGD CC(C)CC(=O)NNC(=O)N[C@H]1CCC(=O)N(C)C1=O 823898949 OWEPNKJYSOZKQA-QMMMGPOBSA-N 284.316 -0.490 50 20 CBGD CC(C)C1(C(=O)NNC(=O)c2cc[nH]n2)COC1 824835426 TZYDRDGFLBSQDZ-UHFFFAOYSA-N 252.274 -0.157 50 20 CBGD C#CCN(C)CCCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 826867237 JKVFOPFXJYSTHJ-VXGBXAGGSA-N 296.371 -0.303 50 20 CBGD CCC[C@H](C(=O)NNC(=O)C1CCC1)S(N)(=O)=O 827210203 LLABTAFBCVGMNW-MRVPVSSYSA-N 277.346 -0.609 50 20 CBGD CN(C)CCCNC(=O)NNC(=O)[C@H]1CCCCO1 837317895 PZZPIWSUFYNCSW-SNVBAGLBSA-N 272.349 -0.162 50 20 CBGD CC(C)CC(=O)NNC(=O)NCC(F)(F)CN 841971875 ZEUBDQFEXGVSLS-UHFFFAOYSA-N 252.265 -0.043 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843643594 CRXXRGXXXITYTN-BDAKNGLRSA-N 260.290 -0.778 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCN1CCCC1=O 843649128 UAPOLKCVHXDNTP-VHSXEESVSA-N 283.328 -0.429 50 20 CBGD CCn1nc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ccc1=O 843650240 AEAYJSKRVFWIBE-RKDXNWHRSA-N 294.311 -0.551 50 20 CBGD Cc1onc(CO)c1C(=O)NNC(=O)c1cccn1C 847298521 TWSZHLXGMOIHOL-UHFFFAOYSA-N 278.268 -0.111 50 20 CBGD O=C(Cc1ncc[nH]1)NNC(=O)[C@H]1CCCCO1 854682407 AHUJRZXZJLNYJG-MRVPVSSYSA-N 252.274 -0.331 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCCN(C)S(C)(=O)=O 855167262 CDZSNXJJOZJWHT-MDZDMXLPSA-N 289.357 -0.172 50 20 CBGD C=CC(=O)NCCC(=O)NNC(=O)OCC(F)(F)F 856021268 BVHUNAZRQBRSJW-UHFFFAOYSA-N 283.206 -0.002 50 20 CBGD CC(=O)N1CC[C@@H](NC(=O)NNC(=O)CC(C)C)C1 856917461 KXSJSBPWEFFCRU-SNVBAGLBSA-N 270.333 -0.016 50 20 CBGD O=C1C[C@H](C(=O)NNc2nc[nH]n2)[C@H]2CCCC[C@@H]2N1 857261098 HJAJVSCKSJCGMN-VGMNWLOBSA-N 278.316 -0.057 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCC[C@H]2CCCCO2)N1 858352558 BNZLJACKFYHIJM-ZJUUUORDSA-N 298.343 -0.445 50 20 CBGD CCCCC[C@@H](O)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862458578 BPXBAYNWVCXHJQ-DTWKUNHWSA-N 271.317 -0.646 50 20 CBGD CC1CCN(CC(=O)NNC(=O)c2cn[nH]c2)CC1 862471805 ACGKGMBIXGYSOU-UHFFFAOYSA-N 265.317 -0.097 50 20 CBGD CCS(=O)(=O)NCC(=O)NN=c1cc[nH]c(C)c1 862512655 DVISVDSSGLBICO-UHFFFAOYSA-N 272.330 -0.806 50 20 CBGD C=C[C@](C)(CCOC)C(=O)NNC(=O)CS(C)(=O)=O 863464293 BUCLTLKYMHFHRR-LLVKDONJSA-N 292.357 -0.593 50 20 CBGD C[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(C)(C)O 863875515 ZDSSPYGEJXQEAI-ZETCQYMHSA-N 269.081 -0.605 50 20 CBGD COC(=O)[C@@H](CC1CC1)NC(=O)c1ccc(B(O)O)cc1 863885798 OXULTYZDAVUMHK-GFCCVEGCSA-N 291.112 -0.562 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cnc2n1CCOC2 910138454 IJHDIXBJZQSJKD-MRVPVSSYSA-N 254.290 -0.629 50 20 CBGD Cc1cc(C(=O)NNC(=O)CN2CCCC2=O)cnc1F 913733667 QUOYONQIIRZPEV-UHFFFAOYSA-N 294.286 -0.087 50 20 CBGD CCNC(=O)NNC(=O)[C@@H](C)CN1CCOCC1 915879439 SFJSVHLVXFDKDG-VIFPVBQESA-N 258.322 -0.695 50 20 CBGD C[C@@H]1COC[C@@H]1NCC(=O)NNC(=O)C(C)(C)C 932490152 VBAKNSUNRRGQTM-BDAKNGLRSA-N 257.334 -0.196 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1ncoc1C1CC1 1118953342 CWSNGQNDUCEJTP-UHFFFAOYSA-N 287.297 -0.642 50 20 CBGD O=C(CN1C[C@@H](C(=O)O)[C@H](C2CC2)C1)NNC(=O)C1CC1 1119684496 ZHROLARXPLFTKS-WDEREUQCSA-N 295.339 -0.414 50 20 CBGD CC(C)CN1CCC[C@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1262633110 BWEUBJVVJRBDJD-MNOVXSKESA-N 296.371 -0.467 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(-n2cncn2)nc1 1317994719 DMLRUGATKLBGRE-UHFFFAOYSA-N 275.272 -0.374 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@H]1COCCO1 1318281037 BWDJPTGTWKLKIJ-SNVBAGLBSA-N 265.269 -0.813 50 20 CBGD C[C@H]1C[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)CCC1=O 1319601473 OEUVHLABMDKEST-VHSXEESVSA-N 295.339 -0.239 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCS[C@H]1C 1326794284 ZFZVASQYYHMFGX-NTSWFWBYSA-N 261.303 -0.616 50 20 CBGD CC(C)NC(=S)NNC(=O)CN1CCOC1=O 1329752120 IQNIDCLUDUQXCW-UHFFFAOYSA-N 260.319 -0.658 50 20 CBGD C#C[C@@H](CC)NC(=O)NNC(=O)C(=O)NC1CC1 1330704688 RQNQYIIOHZQKBT-ZETCQYMHSA-N 252.274 -0.993 50 20 CBGD CC(F)(F)CCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1334933471 ILBFPAMZPGPBKU-LURJTMIESA-N 278.259 -0.359 50 20 CBGD O=C(CCN1CCCC1=O)NNC(=O)Cc1cc[nH]n1 1342375372 XAJDOAWDBMSPFL-UHFFFAOYSA-N 279.300 -0.888 50 20 CBGD Cc1cc(=O)c(C(=O)NNC(=O)CN(C)C)cn1C 1346305794 ICQSYJGDYBXKFF-UHFFFAOYSA-N 266.301 -0.984 50 20 CBGD CS(=O)(=O)CC[C@H](N)C(=O)NNc1ccccc1 1579340522 AWANWYFGLXAZKS-JTQLQIEISA-N 271.342 -0.108 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1csc(-c2nn[nH]n2)c1 1589882182 KQVWJJQQIRXEHA-LURJTMIESA-N 282.329 -0.114 50 20 CBGD O=C(NNC(=O)[C@@]1(C(=O)O)CC=CCC1)N1CCOCC1 1594779839 YBEWVXBSHJSKDN-CYBMUJFWSA-N 297.311 -0.130 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCC(C)(C)C(=O)O)nn1 1600931773 GBXLGCJXAOAZSZ-UHFFFAOYSA-N 298.303 -0.740 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)NC[C@@](C)(O)C(=O)O)cn1 1600946802 PINPVDQDNWHRRA-KNVNGTOESA-N 278.268 -0.721 50 20 CBGD O=C(NNC(=O)c1cnc(C(=O)O)cn1)c1cccnc1 1601555563 ILIHCRFOBDFPPJ-UHFFFAOYSA-N 287.235 -0.355 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)Cc1ccsc1 1604433567 FGSLBUSSFIDQCH-MRVPVSSYSA-N 272.282 -0.462 50 20 CBGD O=C(O)c1ccc(C(=O)NNC(=O)C2CCOCC2)nc1 1606478596 JPNULSBVQNOHQM-UHFFFAOYSA-N 293.279 -0.033 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCN(C2CCCCC2)C1 1608478531 ZYNHAZHDGPZWDE-SECBINFHSA-N 298.343 -0.192 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)c2ccc(C#N)cc2)CC1 106020095 IJWYGKNUFABCCD-UHFFFAOYSA-N 286.291 -0.155 50 20 CBGD Cn1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1=O 122254154 DEGXLBBKUOUAIM-UHFFFAOYSA-N 260.253 -0.212 50 20 CBGD Cc1cc2c(cc1C)O[C@H](C(=O)NNC(=O)CO)C2 180966255 ZXUWMKCNDPLWIJ-NSHDSACASA-N 264.281 -0.253 50 20 CBGD CNC(=O)[C@@H]1CN(CCI)CCO1 191046106 RRCXKWJJMIZPPP-ZETCQYMHSA-N 298.124 -0.132 50 20 CBGD Cc1ccc(NNC(=O)NCCN2C(=O)CCC2=O)nn1 264971265 AXPBBVKCVNLHSY-UHFFFAOYSA-N 292.299 -0.440 50 20 CBGD COc1cc(C)nc(NNC(=O)NCCCNC(C)=O)n1 266974678 QFBQYNKTWMCNLF-UHFFFAOYSA-N 296.331 -0.054 50 20 CBGD C[C@H](NC(=O)C1CCCC1)C(=O)NN(C)C(N)=O 272151743 GGBJVTOYMYLKDL-ZETCQYMHSA-N 256.306 -0.277 50 20 CBGD CSCCNC(=S)NNC(=O)C(=O)NCC1CC1 276551673 QKVIKTYPJVJKPS-UHFFFAOYSA-N 290.414 -0.629 50 20 CBGD COC(=O)NNC(=O)CN1C(=O)NC2(CCCCC2)C1=O 276724010 BVFWSNZTRCDONC-UHFFFAOYSA-N 298.299 -0.372 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CC[C@H](C(=O)OC)O1 290402438 PYDXKALKTYVFQQ-JGVFFNPUSA-N 273.289 -0.601 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)[C@H]1CN2CCCN1CC2 372843473 VUPKUYMGNLGLCX-LLVKDONJSA-N 282.388 -0.040 50 20 CBGD C=CCNC(=O)/C(C#N)=C\c1cn(CC(=O)O)nn1 490783317 PLSWQSUEBJWHNK-YWEYNIOJSA-N 261.241 -0.428 50 20 CBGD CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CO 495046579 JHUKNJBARAHOKC-VIFPVBQESA-N 289.332 -0.325 50 20 CBGD CCCCN(CC(N)=O)C(=O)c1cccc(B(O)O)c1 584929560 RLSXNLNXMPGFHT-UHFFFAOYSA-N 278.117 -0.906 50 20 CBGD C[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@@H](C)CO 584962292 CPFRBLPCAHYEBY-YUMQZZPRSA-N 269.081 -0.748 50 20 CBGD C[C@@H]1[C@H](NC(=O)c2ccc(B(O)O)cc2)CCCN1C 584972740 GBUBYWURLHSJCS-ZWNOBZJWSA-N 276.145 -0.421 50 20 CBGD O=C(NC[C@H]1CCN1C1CC1)c1cccc(B(O)O)c1 585006090 RDLNFUNWGJSSAG-CYBMUJFWSA-N 274.129 -0.667 50 20 CBGD C[C@H](NCc1ccccc1B(O)O)C(=O)NC(C)(C)C 585022184 KNJKRPNDTVKQOR-JTQLQIEISA-N 278.161 -0.241 50 20 CBGD CC[C@@H](C)NC(=O)[C@@H](C)NCc1ccc(B(O)O)o1 585032992 TTZMCIJGQBLDSW-RKDXNWHRSA-N 268.122 -0.648 50 20 CBGD C[S@@](=O)C1(CNCc2ccccc2B(O)O)CCC1 585039962 XRBSHSQRJUATRW-LJQANCHMSA-N 281.186 -0.243 50 20 CBGD C[C@@H]1COCC[C@H]1CNCc1ccc(B(O)O)o1 585040522 MFPUPUAELAQDEC-ZJUUUORDSA-N 253.107 -0.278 50 20 CBGD CC(C)N1C[C@@H](CNCc2cccc(B(O)O)c2)CC1=O 585042660 AZEGYDMTZGULFA-CYBMUJFWSA-N 290.172 -0.287 50 20 CBGD CCNC(=O)CCC(=O)NNC(=O)c1ccncc1 732049051 MTGOAELETGVJDT-UHFFFAOYSA-N 264.285 -0.241 50 20 CBGD C[C@H]1CC[C@@H](CCC(=O)NNC(=O)C(=O)NC2CC2)O1 743289983 HOAWHUSABRVCKY-WPRPVWTQSA-N 283.328 -0.240 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@H]1CCCS1 743750869 QEFVNVHLDVCVGL-MRVPVSSYSA-N 259.331 -0.045 50 20 CBGD COC[C@@H]1CCCN1CC(=O)NNC(=O)C1CC1 752324403 DBWGWCFXSBSMDK-JTQLQIEISA-N 255.318 -0.345 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H]1COCCO1 752762846 HXSMPLDNXZSFAJ-ZETCQYMHSA-N 279.387 -0.740 50 20 CBGD NC(=O)NN=Cc1cnc(N2CCOCC2)s1 755463589 GEFJZPRZZCUICG-UHFFFAOYSA-N 255.303 -0.018 50 20 CBGD NC(=O)C1(C(=O)NN=c2cc[nH]cc2Cl)CC1 757420149 PINMHBVIAHJDMJ-UHFFFAOYSA-N 254.677 -0.135 50 20 CBGD Cn1ncnc1SCC(=O)NNC(=O)C1CC1 758414196 DWXNKOMVZCDGGA-UHFFFAOYSA-N 255.303 -0.535 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cccc2[nH]ccc12 764300106 TTXWPOGIBPQBCK-UHFFFAOYSA-N 290.279 -0.100 50 20 CBGD CC(C)NC(=O)C(=O)NN=C1CCN2CCC[C@@H]12 765566052 SWOBITPYPICPLD-JTQLQIEISA-N 252.318 -0.149 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 775249417 NOUQDRCWNRMHSQ-UHFFFAOYSA-N 297.336 -0.075 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1ncncc1Cl 781815630 XNECAYUGDKPBKS-UHFFFAOYSA-N 279.709 -0.878 50 20 CBGD COCC1(C(=O)NNC(=O)N2CCOCC2)CCC1 786018954 KYFLIJOUXTXMRR-UHFFFAOYSA-N 271.317 -0.124 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 786826672 GBUKGVDQFWGISQ-JGVFFNPUSA-N 256.306 -0.372 50 20 CBGD COC(=O)CNC(=O)NNC(=S)NC1(C)CC1 789294739 UPUZWLHAUYDEJW-UHFFFAOYSA-N 260.319 -0.610 50 20 CBGD CCc1[nH]ccc1C(=O)NNC(=O)C(=O)NC(C)C 794621456 RCTWMUMKNHMFMT-UHFFFAOYSA-N 266.301 -0.137 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](OC)C1CC1 795827617 GHXVMYZVPRHUAI-XVKPBYJWSA-N 272.301 -0.100 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)CC(F)(F)F)C1 806536893 LASSQXMZPYEQLL-ZETCQYMHSA-N 283.250 -0.193 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCN(C)C1 807369869 NDZOZOCOKWQGRP-JTQLQIEISA-N 287.360 -0.125 50 20 CBGD COC(OC)C(=O)NNC(=O)COCc1ccccc1 820152184 PUWFFNBCYHAHKE-UHFFFAOYSA-N 282.296 -0.031 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CC(=O)NCC(F)(F)F 823939568 MBCUDAXGKAPUSN-LURJTMIESA-N 271.239 -0.601 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)CCn1cccn1 827300411 QNMJFELLBXDVDH-WDEREUQCSA-N 295.343 -0.019 50 20 CBGD Cc1ccccc1CC(=O)NNC(=O)NCCN 841921667 UCTQMHHGHYJBPA-UHFFFAOYSA-N 250.302 -0.173 50 20 CBGD COc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)nn1C 843661358 ZBTQJIMTHWNOLS-SFYZADRCSA-N 282.300 -0.385 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc(S)[nH]1 843972264 ULBZHHQBFKJRDL-WDSKDSINSA-N 270.314 -0.116 50 20 CBGD O=S(=O)(CCl)N1CCC[C@H](n2cc(CO)nn2)C1 849394685 DSUTVLACVCAFHI-VIFPVBQESA-N 294.764 -0.067 50 20 CBGD COC(=O)N(C)CCNC(=O)NNC(=O)C1CCC1 852662314 MYVXFDDYYBWIEF-UHFFFAOYSA-N 272.305 -0.185 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)c2cccc(F)n2)C1 856424437 LPWVKNIWBLPUJE-VIFPVBQESA-N 282.275 -0.688 50 20 CBGD O=C(NNC(=O)C1(n2cnnn2)CC1)c1cccc(F)n1 856427865 IDDIGKNZHCDKDW-UHFFFAOYSA-N 291.246 -0.843 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@H]2CCC=CO2)N1 858377541 XNSOABLLOZAGGQ-BDAKNGLRSA-N 282.300 -0.712 50 20 CBGD O=C(C[C@@H]1CCCC[C@H]1O)NNC(=O)[C@H]1CCC(=O)N1 862458545 GKOPGSWRUJVAQW-IVZWLZJFSA-N 283.328 -0.646 50 20 CBGD Cc1cc(=NNC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)cc[nH]1 862514546 QDIWITOVGHPRII-JOYOIKCWSA-N 292.339 -0.469 50 20 CBGD O=C(CC1CC1)NNC(=O)c1cc(B(O)O)ccc1F 863883709 KDNLBBZOHKHYRS-UHFFFAOYSA-N 280.064 -0.933 50 20 CBGD CC(C)(CCl)CS(=O)(=O)N1C[C@@H](O)[C@H](CO)C1 867388206 JISDWPZLIXIMKZ-DTWKUNHWSA-N 285.793 -0.134 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccsn1 869905744 QIDSPVTUFUTKKA-UHFFFAOYSA-N 259.287 -0.433 50 20 CBGD O=S(=O)(CCCCl)NC[C@H](O)Cn1ccnn1 882251605 PWKYQEJNWFLDSJ-QMMMGPOBSA-N 282.753 -0.813 50 20 CBGD CC(C)C(=O)NNC(=O)CN(C)[C@@H]1CCC[C@H]1O 886481036 FGLPXHNTRXPLSX-NXEZZACHSA-N 257.334 -0.365 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21 905099742 DUQPRGXZJUGEPD-BWVDBABLSA-N 253.327 -0.107 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cccn2nnnc12 910139160 PRMAXJBKXDSXKF-SSDOTTSWSA-N 250.262 -0.918 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCCC(=O)N1C 911502910 MZGYYDXDSNYIBA-LPEHRKFASA-N 283.328 -0.430 50 20 CBGD CS/C=C\C(=O)NNC(=O)CN1CCCC1=O 913731287 BNQXQJKTIQPIMD-XQRVVYSFSA-N 257.315 -0.367 50 20 CBGD C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)CN2CCCC2=O)O1 913733069 UUVLYZKCFVBGGL-LNLATYFQSA-N 283.328 -0.430 50 20 CBGD Cc1ccc(CCNC(=O)NNC(=O)C(=O)NC2CC2)o1 916507836 LEWXEMVPYAIKRZ-UHFFFAOYSA-N 294.311 -0.260 50 20 CBGD O=C(NC[C@@H]1COCCO1)NNC(=O)C1CCCC1 918106997 GDILJUMPQKAZAH-SNVBAGLBSA-N 271.317 -0.078 50 20 CBGD Cn1nncc1C(=O)NNc1nncc(N)c1Cl 1116915005 JDTUROFHPMLVME-UHFFFAOYSA-N 268.668 -0.402 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCCc1cn[nH]c1 1117692279 SSGCYHMOXRNIEE-SECBINFHSA-N 299.331 -0.666 50 20 CBGD Nc1n[nH]c(SCC(=O)NNC(=O)C2CC2)n1 1318723415 JQVYZIICFNSTRB-UHFFFAOYSA-N 256.291 -0.964 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 1319094573 LWVCQFVTPUBCTP-SFYZADRCSA-N 284.316 -0.885 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CCS(=O)(=O)C1 1320066082 PWMUSKJRGDNMRP-ZETCQYMHSA-N 263.319 -0.886 50 20 CBGD CCOC(=O)NNC(=O)c1cccc(C(=O)NC)n1 1323923365 XLTNYIMATDMLKP-UHFFFAOYSA-N 266.257 -0.168 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC1CCOCC1 1326732596 ILRKALPBOHLVOK-WCBMZHEXSA-N 271.317 -0.079 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCCCCCN)cn1 1329281519 CTJJMYQKNQQHEV-UHFFFAOYSA-N 282.348 -0.117 50 20 CBGD COCCn1cc(C(=O)NN(C)[C@@H](C)CO)c(=O)cc1C 1332468630 FXQGMKLTFTVPLE-NSHDSACASA-N 297.355 -0.239 50 20 CBGD Cc1nc(NC(=O)NNC(=S)NCCN(C)C)no1 1337488930 SPRFTTPVVGCYCW-UHFFFAOYSA-N 287.349 -0.560 50 20 CBGD O=C(/C=C/c1ccc[nH]1)NNC(=O)C(=O)NC1CC1 1342151713 QHRVXMVRAMRCCO-AATRIKPKSA-N 262.269 -0.546 50 20 CBGD C[C@]1(CNC(=O)NNC(=O)c2ccc[nH]2)CNCCO1 1576515528 BUSYXIPJZPRRFA-GFCCVEGCSA-N 281.316 -0.663 50 20 CBGD CNC[C@H](O)[C@H](C)C(=O)NNC(=O)NCC(F)(F)F 1578646135 PWPXJRBFKHYUMJ-WDSKDSINSA-N 286.254 -0.905 50 20 CBGD Cc1cc(NNC(=O)c2cc(C(=O)O)nn2C)ncn1 1594325198 GKQHJEGQUGVROV-UHFFFAOYSA-N 276.256 -0.026 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(C(=O)O)no1 1594646527 YHMZWLSELNSRPB-WDSKDSINSA-N 283.240 -0.441 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1)c1ccnnc1 1594782681 GBEPHANFWRQURH-JGVFFNPUSA-N 278.268 -0.262 50 20 CBGD O=C(O)C1(C(=O)NNc2ncccn2)CCOCC1 1594867972 WRNBEHHXYYVAFV-UHFFFAOYSA-N 266.257 -0.199 50 20 CBGD CN(NC(=O)Cn1cc(C(=O)O)nn1)c1ccccn1 1598540984 JGCXPXZWQGMZJZ-UHFFFAOYSA-N 276.256 -0.461 50 20 CBGD O=C(O)COCCNC(=O)NNC(=O)Cc1ccncc1 1602079865 LBLHZGROGHDMJS-UHFFFAOYSA-N 296.283 -0.944 50 20 CBGD CCCOCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 65537377 FQZZLGSIPIQSKT-JTQLQIEISA-N 278.374 -0.095 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnn(C)c1-n1cccc1 176149757 UOGBGWLXXGTFMM-UHFFFAOYSA-N 290.327 -0.467 50 20 CBGD CN(NC(=O)CNC(=O)Cc1ccccc1)C(N)=O 182645904 LRHDJRQVDMZAEQ-UHFFFAOYSA-N 264.285 -0.613 50 20 CBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1CCCO1 268673546 IMLNDPGUYPIZQF-SNVBAGLBSA-N 292.295 -0.862 50 20 CBGD COc1cccc(NNC(=O)[C@H]2COCCO2)n1 272584359 YSLMDGKDJCSWAB-MRVPVSSYSA-N 253.258 -0.051 50 20 CBGD COC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)NC(C)C 285130116 NHUOUASDFZOKPC-JGVFFNPUSA-N 257.290 -0.076 50 20 CBGD CO[C@H]1COC[C@@H]1NC(=O)NNc1nc2ccccn2n1 291403250 HDFGMPABXMYNDE-IUCAKERBSA-N 292.299 -0.231 50 20 CBGD CCOC(=O)NNC(=O)CS(=O)(=O)C(C)(C)C 494102449 RSTPEZZHKUCTAS-UHFFFAOYSA-N 266.319 -0.023 50 20 CBGD Cn1cncc1[C@@H]1C[C@H]1C(=O)Nc1cccc(B(O)O)c1 584911032 FRNYFFNTVROBHQ-VXGBXAGGSA-N 285.112 -0.158 50 20 CBGD CC[C@@H](C)N(C)CCNC(=O)c1cc(B(O)O)ccc1F 584940681 YOXMEDCGFHIBHT-SNVBAGLBSA-N 296.151 -0.034 50 20 CBGD CCN1CC[C@@H](N(C)C(=O)c2cccc(B(O)O)c2)C1 584942656 VKFGAXOWSVUZJS-CYBMUJFWSA-N 276.145 -0.467 50 20 CBGD C[C@H]1COCCN(C(=O)c2cccc(B(O)O)c2)C1 584966991 OLHYVTVQUBYSHA-SNVBAGLBSA-N 263.102 -0.525 50 20 CBGD CCN1CCN(C(=O)c2ccc(B(O)O)c(F)c2)[C@H](C)C1 584988162 GEAOOVHQXUUDPC-SNVBAGLBSA-N 294.135 -0.328 50 20 CBGD CC1(C)C[C@H](O)CCN(C(=O)c2ccc(B(O)O)cc2)C1 584996464 IIURKBLCDZTDOF-CYBMUJFWSA-N 291.156 -0.011 50 20 CBGD CCO[C@H]1C[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 584999588 XEJSJSIEBVYHFU-AOOOYVTPSA-N 281.092 -0.197 50 20 CBGD COCCOCCCCNCc1ccccc1B(O)O 585021527 WAZBYBKPGQBYTN-UHFFFAOYSA-N 281.161 -0.101 50 20 CBGD CN(C)C(=O)C1(CNCc2ccc(B(O)O)o2)CCCC1 585023540 JHKCGQXKSPOOOA-UHFFFAOYSA-N 294.160 -0.302 50 20 CBGD CCN1C[C@H](CNCc2cccc(B(O)O)c2)CC1=O 585045787 LZYIWZCMIWIWJQ-LBPRGKRZSA-N 276.145 -0.676 50 20 CBGD CC(C)(CCNCc1ccc(B(O)O)o1)S(C)(=O)=O 585046397 QTNDVNCAPGYNDV-UHFFFAOYSA-N 289.162 -0.738 50 20 CBGD O=S(=O)(NCB(O)O)C1=Cc2ccccc2OCC1 585059726 YGKPRNLUTOUFEG-UHFFFAOYSA-N 283.114 -0.259 50 20 CBGD CCOCC(=O)NNC(=O)NCc1cccnc1 731219370 QTUVYEIAMMKSIB-UHFFFAOYSA-N 252.274 -0.052 50 20 CBGD CNC(=O)[C@@H]1CCCN1[C@@H](C)C(=O)NNC(=O)CC(C)C 732198549 WITDNTJKFUKPSQ-QWRGUYRKSA-N 298.387 -0.221 50 20 CBGD CC[C@@H](SC)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 746774842 CXPSWHBDPGYJOO-HTQZYQBOSA-N 294.398 -0.290 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCc2c[nH]nc2C1 750722593 SIKVNXDRMVFAJP-UHFFFAOYSA-N 279.344 -0.039 50 20 CBGD C[C@@H](NCC(=O)NNC(=O)C1CC1)c1cnn(C)c1 754778798 JCOIOLLVKJTLJD-MRVPVSSYSA-N 265.317 -0.372 50 20 CBGD CCCc1nnc(NC(=O)NNC(=O)CO)s1 755469784 BSXUFEICXLCSEE-UHFFFAOYSA-N 259.291 -0.364 50 20 CBGD O=C(CNC(=O)c1cccnc1)NN=Cc1cc[nH]n1 755772948 KVTORFQRCODFAJ-UHFFFAOYSA-N 272.268 -0.315 50 20 CBGD CN(C)N(C(=O)[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 756503676 HNRXHQZLXXEBHV-NXEZZACHSA-N 276.358 -0.342 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc2c(c1)NC(=O)CC2 756746890 KLHJBLZLPRRJFW-UHFFFAOYSA-N 278.268 -0.284 50 20 CBGD CC(C)OCCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 758716655 BNVZFXNYBYCNEV-LLVKDONJSA-N 293.389 -0.208 50 20 CBGD CCC1(C(=O)NNC(=O)C(=O)Nc2ccccn2)COC1 758834632 SCVOMDZKSITUJJ-UHFFFAOYSA-N 292.295 -0.406 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@@H](C)CC(=O)OCC 760875867 OZWSGSDUXQGIIN-VIFPVBQESA-N 289.332 -0.057 50 20 CBGD O=C(NCC1CC1)NNC(=O)C1(O)CCSCC1 764879329 CFVKEPLGNUAWJI-UHFFFAOYSA-N 273.358 -0.015 50 20 CBGD O=C(CO)NNC(=O)c1ccoc1Br 770709177 SCQSPIXDMGCWCS-UHFFFAOYSA-N 263.047 -0.205 50 20 CBGD Cn1cnc(-c2cccc(NC(=O)NNC(=O)CO)c2)n1 771783470 CTUCLKZSLMNXII-UHFFFAOYSA-N 290.283 -0.373 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCc2n[nH]cc2C1 773517980 SNIFCIHNVJBSHP-QMMMGPOBSA-N 265.317 -0.286 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1CCc2nccn2C1 787996418 YMGYWIQQPRAUDR-VIFPVBQESA-N 265.317 -0.846 50 20 CBGD CN1CCN(C(=O)NN=Cc2cncn2C)CC1 790175611 HOJIPPAOGGXBNW-UHFFFAOYSA-N 250.306 -0.289 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1COCCN1C1CCCC1 793208293 WFDTUICQFSDYHC-LLVKDONJSA-N 284.360 -0.020 50 20 CBGD CCN(CC(=O)NNC(=O)C(C)(C)C)[C@H]1CCNC1=O 799354211 NUVQVQZJMLAWGO-VIFPVBQESA-N 284.360 -0.610 50 20 CBGD Cn1nncc1NC(=O)NNc1cc(Cl)nc(N)n1 809908820 GBJBRRVYLFUHFI-UHFFFAOYSA-N 283.683 -0.011 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cc(F)c[nH]1 815227779 KANDOJZXZNSFEQ-UHFFFAOYSA-N 294.242 -0.062 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C=O)c[nH]1 815252087 AGNLVOVNUYFSID-ZETCQYMHSA-N 281.268 -0.070 50 20 CBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1C=CCC1 821085840 JYHDBDBLZWMORM-SECBINFHSA-N 266.301 -0.342 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F 823934668 IXWVVINQZCPRPE-YUMQZZPRSA-N 297.277 -0.117 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@@H]1CCCNC1=O 826962824 GWFIKXDUTNWJIS-LPEHRKFASA-N 298.343 -0.732 50 20 CBGD CCOC(=O)CN(CC(=O)NNC(=O)C(C)C)C1CC1 827649978 QANZZJSWXOHEAX-UHFFFAOYSA-N 285.344 -0.183 50 20 CBGD O=C(COc1ccc(F)cc1)NNC(=O)N[C@@H]1CCNC1 841938546 FMMOKAVKTXUFAE-SNVBAGLBSA-N 296.302 -0.103 50 20 CBGD C[C@H]1C[C@@H](CN)CN1CC(=O)NNC(=O)C1CC1 843363068 YGFLENDQBVPJAH-IUCAKERBSA-N 254.334 -0.787 50 20 CBGD COCCO[C@@H](C)C(=O)NN=Cc1nnn(C(C)(C)C)n1 853313474 CZYYBPJCLPVXTE-VIFPVBQESA-N 298.347 -0.070 50 20 CBGD CN1CC(=O)N(CC(=O)NNc2ncc(Cl)cn2)C1=O 857729107 KAIFMCRYOQPSAW-UHFFFAOYSA-N 298.690 -0.533 50 20 CBGD COCC[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858171801 VBZQPUHCFSNGCK-SFYZADRCSA-N 272.305 -0.980 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCC(F)(F)CC2)N1 858699818 XYPVYHUZDCXOLQ-ZETCQYMHSA-N 290.270 -0.263 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C 858906479 COYDHMQKIIVCPR-SSDOTTSWSA-N 290.320 -0.826 50 20 CBGD Cc1cc(=NNC(=O)CN2CCN(C)CC2)cc[nH]1 862512594 BGWSNBURRZJPHB-UHFFFAOYSA-N 263.345 -0.498 50 20 CBGD C[C@H]1CC(=NNC(=O)CS(C)(=O)=O)CCN1C 863189839 UYIIWUNNWIYHBD-QMMMGPOBSA-N 261.347 -0.383 50 20 CBGD COC(=O)N(C)Cc1nc(-c2cccc(B(O)O)c2)no1 863893687 ZZHZMNBAUAUDNV-UHFFFAOYSA-N 291.072 -0.385 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1COc2ccccc21 869910856 ZWSGFRPIPDSUGG-LLVKDONJSA-N 294.307 -0.027 50 20 CBGD Cc1cc(N2CC[C@@H](B(O)O)C2)n2nc(C)nc2n1 886912199 NOZSHBQJPRUVGV-SECBINFHSA-N 261.094 -0.206 50 20 CBGD CN1C(=O)CCC[C@H]1C(=O)NNC(=O)NCC1CC1 906417912 OUHAAAWBKBAKLM-VIFPVBQESA-N 268.317 -0.262 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 910175675 ROMLISWETHMYDY-MRVPVSSYSA-N 291.307 -0.130 50 20 CBGD CO[C@H](C)CCC(=O)NNC(=O)CN1CCCC1=O 913732270 OWMHPNMJQMFFPG-SECBINFHSA-N 271.317 -0.429 50 20 CBGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NN)cc1 917371552 DXFQTAXRIJGJQK-UHFFFAOYSA-N 271.298 -0.843 50 20 CBGD CN1C[C@@H](C(=O)NNC(=O)CC(F)(F)F)CC1=O 920457389 GYPUTGGZOMRUPB-YFKPBYRVSA-N 267.207 -0.436 50 20 CBGD Cc1cc(CNC(=O)NNC(=O)C(=O)N2CCCC2)n[nH]1 1116107766 RGLYJDNATJZKJZ-UHFFFAOYSA-N 294.315 -0.829 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)N(C)C)o1 1116320282 HMZDJVFXAHUOFA-UHFFFAOYSA-N 255.230 -0.018 50 20 CBGD CC(C)C(=O)NNC(=O)C(=O)Nc1ccccn1 1252895454 QPEHSSQCUDQJJB-UHFFFAOYSA-N 250.258 -0.177 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1cnc[nH]1 1261499945 ZDWBKGHFADKEKB-WPRPVWTQSA-N 266.301 -0.085 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)[C@@H]2CCCCO2)C1 1262626399 ODCIZCAPJREVSM-UWVGGRQHSA-N 271.317 -0.967 50 20 CBGD COc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)ccn1 1318094114 BQUYDWBTYBTQEC-UHFFFAOYSA-N 292.295 -0.526 50 20 CBGD NC(=O)c1ccc(NNC(=O)c2ccnc(C3CC3)n2)nn1 1319587919 MJUATOWDNOOOGR-UHFFFAOYSA-N 299.294 0.000 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 1324111748 HFUCORLQUDUQTH-IMSYWVGJSA-N 255.318 -0.898 50 20 CBGD C#CCN1CCC[C@@H](NCc2cccc(B(O)O)c2)C1 1331597218 NMZZNVNTIZRJEY-OAHLLOKOSA-N 272.157 -0.446 50 20 CBGD CO[C@@](C)(C(=O)O)C(=O)NNc1nncc(N)c1Cl 1333658568 OKRCCDXUCPXKPE-SECBINFHSA-N 289.679 -0.355 50 20 CBGD CC(C)CN1CCC[C@@H]1C(=O)NNC(=O)C(=O)NC(C)C 1336864141 YYOBEWLRPSAFMM-LLVKDONJSA-N 298.387 -0.221 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NC2(C(F)(F)F)CC2)N1 1342162873 OVHZSNNFEJSYEC-YFKPBYRVSA-N 294.233 -0.310 50 20 CBGD C[C@H](NNC(=O)CN1C(=O)CCC1=O)C(F)(F)F 1350013876 FSZRPOLTTURXMT-YFKPBYRVSA-N 267.207 -0.293 50 20 CBGD CCOCC(=O)NNC(=O)NCc1ncccn1 1352772825 OMCBPGQCXNDKQB-UHFFFAOYSA-N 253.262 -0.657 50 20 CBGD CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1cnnn1C 1549319720 JCXZGQNUQJJTKD-CMPLNLGQSA-N 292.343 -0.482 50 20 CBGD CCNCCCNC(=O)NNc1nnc(C)n1C 1577843083 KARDIKGAAFNWHT-UHFFFAOYSA-N 255.326 -0.251 50 20 CBGD CN(C)[C@H]1CCC[C@H](C(=O)NNC(=O)CCN)C1 1578410278 FQVHKMDQHGKHOS-UWVGGRQHSA-N 256.350 -0.397 50 20 CBGD O=C(/C=C/[C@H]1CCOC1)NNC(=O)NC1CCNCC1 1580493924 NOLSRJVEOZYDSL-YOLVWIGZSA-N 282.344 -0.339 50 20 CBGD C/C(C#N)=C\Cn1c(=O)c(C#N)cn(CC(=O)O)c1=O 1588543066 HEAQMDDGVYTSLZ-KRXBUXKQSA-N 274.236 -0.564 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cc(-c2nn[nH]n2)[nH]c1C 1590742113 BAIWMROMCKYRKK-UHFFFAOYSA-N 292.303 -0.191 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1cccc[n+]1[O-] 1593162820 AILLMGPZXNHJJF-UHFFFAOYSA-N 298.266 -0.348 50 20 CBGD COCCOCC(=O)NNC(=O)c1cccc(C(=O)O)c1 1594017768 BUDSEXNGWDBMNW-UHFFFAOYSA-N 296.279 -0.191 50 20 CBGD CC[C@@H](C)C[C@@H](NC(=O)c1cccc(B(O)O)c1)C(=O)O 1594947061 YKGRFGNKLLWXSG-BXKDBHETSA-N 293.128 -0.014 50 20 CBGD Cn1ncc(C(=O)O)c1C=NNC(=O)C1CCOCC1 1776102955 HGONBNPKUOTRPY-UHFFFAOYSA-N 280.284 -0.005 50 20 CBGD Cc1ncsc1C(=O)NNC(=O)CN1CCCC1=O 63683775 KAKXZLVHBCZJTI-UHFFFAOYSA-N 282.325 -0.165 50 20 CBGD O=S(=O)(CCCCCl)N1C[C@H](O)[C@@H](O)C1 236575093 JGYKAGHNSCNBAD-YUMQZZPRSA-N 257.739 -0.627 50 20 CBGD COC(=O)c1[nH]c(C)c(C(=O)NNC(=O)C(C)(C)O)c1C 277897697 GIDRSOPUXKFONX-UHFFFAOYSA-N 297.311 -0.050 50 20 CBGD COC(=O)CCCC(=O)NNC(=O)N1CCN(C)CC1 278618443 MHVFTYUPVVRJDT-UHFFFAOYSA-N 286.332 -0.682 50 20 CBGD COc1nccnc1NNC(=O)COCc1ccnn1C 287806650 LOFPZUPKDNJRLM-UHFFFAOYSA-N 292.299 -0.121 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@@H](COC)C(=O)OC 490813618 QMVVQFFYAJNFEO-ORZBULNSSA-N 256.258 -0.265 50 20 CBGD CO[C@H](CNC(=O)c1cc(B(O)O)ccc1F)C(C)C 584954575 JQHOMKNHGZRPGR-GFCCVEGCSA-N 283.108 -0.094 50 20 CBGD O=C(NC[C@]1(O)CCSC1)c1cc(B(O)O)ccc1F 584956749 HJNZRJJGPDMULG-GFCCVEGCSA-N 299.132 -0.897 50 20 CBGD CO[C@@H](C1CC1)[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 584996764 PEYPHVTURJVILU-NOZJJQNGSA-N 277.129 -0.090 50 20 CBGD CC[C@H](NCc1ccc(B(O)O)o1)[C@H]1CCOC1 585026780 KBJGJHASZWJMGG-ONGXEEELSA-N 253.107 -0.136 50 20 CBGD CO[C@@H](C1CC1)[C@H](C)NCc1ccc(B(O)O)o1 585045010 ZCTHUKINKBLSPL-QPUJVOFHSA-N 253.107 -0.138 50 20 CBGD C[C@H](C(=O)NNC(=O)C1CCC1)N1C(=O)CCC1=O 732141096 HWRWCYPLOGGOEG-SSDOTTSWSA-N 267.285 -0.529 50 20 CBGD CC(C)(NS(C)(=O)=O)C(=O)NNc1cccnn1 743462402 WZTOTVCJSQMZRZ-UHFFFAOYSA-N 273.318 -0.753 50 20 CBGD CC[C@@H](C)NC(=S)NNC(=O)[C@@H]1CCS(=O)(=O)C1 749761857 IBKBRNBYYOABSK-HTQZYQBOSA-N 293.414 -0.285 50 20 CBGD C[C@H]1CN(C)CC1=NNC(=O)[C@H]1CCS(=O)(=O)C1 752159465 DAGSFWLUKROKMK-IUCAKERBSA-N 273.358 -0.525 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CCCN1C1CCCC1 753436704 BQHNHNHLPSVMRE-JTQLQIEISA-N 255.318 -0.467 50 20 CBGD CC[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@H]1O 761129424 ZKFOCDXUVMHISX-PSASIEDQSA-N 255.318 -0.754 50 20 CBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccncc1 763826086 NHZFOZYIMGXDGC-UHFFFAOYSA-N 299.290 -0.332 50 20 CBGD O=C(NNC(=O)C1(O)CCSCC1)NC1CC1 764880280 IONWVICZXYITDG-UHFFFAOYSA-N 259.331 -0.263 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@H](CCO)C1CC1 771797697 BNYDQISIDVSAMN-PSASIEDQSA-N 257.334 -0.317 50 20 CBGD N=C1NC(=O)[C@H](CC(=O)NNc2cnccn2)S1 775278238 ZZEBWYPXOUUCMF-YFKPBYRVSA-N 266.286 -0.524 50 20 CBGD Cc1cc(NC(=O)NNC(=O)CN(C)C)nn1C 775681558 BMKBICPZKYGTIE-UHFFFAOYSA-N 254.294 -0.557 50 20 CBGD C[C@@H](Oc1cccc(C=NNC(=O)CO)c1)C(=O)O 776779794 AOWIAPQSMKDXCS-MRVPVSSYSA-N 266.253 -0.019 50 20 CBGD COCC1(C(=O)NNC(=O)c2cc(C)[nH]n2)CC1 778946296 DXOFUXPVBCLRBT-UHFFFAOYSA-N 252.274 -0.094 50 20 CBGD Cc1c(C(=O)NNC(=O)CO)nnn1CC1CCCC1 790918595 BJOZKOXHOCKVDU-UHFFFAOYSA-N 281.316 -0.470 50 20 CBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)CC1CC1 819110138 UYYKAMQLCCFCNK-UHFFFAOYSA-N 284.360 -0.610 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccn2nnnc2c1 823908332 WMNIGBZFYAPODI-SSDOTTSWSA-N 250.262 -0.918 50 20 CBGD CC(C)C#CC(=O)NNC(=O)CNC(=O)c1ccco1 825267051 PSQNZSZYBQHYBC-UHFFFAOYSA-N 277.280 -0.184 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1cnn(CCF)c1 826543654 IOGDHXGQTOOCTL-UHFFFAOYSA-N 297.290 -0.764 50 20 CBGD C[C@]1(C(=O)NNC(=O)NCCCC(=O)O)CCCO1 831057932 TWAVKQCXHOEIAN-LLVKDONJSA-N 273.289 -0.249 50 20 CBGD Cc1noc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n1 831620368 ANDSPIWTDSXXNI-VDTYLAMSSA-N 269.261 -0.044 50 20 CBGD CCN1CCO[C@@H](C(=O)NNC(=O)[C@H]2CCCCO2)C1 833246496 LJUOBKPGCNJGBX-GHMZBOCLSA-N 285.344 -0.576 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)c1cc(C)[nH]n1 845902557 GWZYACIVCJIQFY-UHFFFAOYSA-N 281.316 -0.359 50 20 CBGD CCn1ncnc1C=NNC(=O)[C@H](C)CN1CCOCC1 848401994 QMNRKWFUPVRKLV-LLVKDONJSA-N 294.359 -0.284 50 20 CBGD C[C@@H](NC(=S)NNC(=O)C(C)(C)C(N)=O)C1CC1 855100253 XXYXEWSGAUAXOA-ZCFIWIBFSA-N 272.374 -0.208 50 20 CBGD COc1nccnc1NNC(=O)[C@@]1(O)CCOC1 857539761 CFRXLHUASQIOBZ-SNVBAGLBSA-N 254.246 -0.920 50 20 CBGD CCn1nncc1CNC(=O)NNC(=O)[C@@H]1CCCCO1 858646405 SUPXDTCPTJXBPE-JTQLQIEISA-N 296.331 -0.303 50 20 CBGD COC1CC(C(=O)NNC(=O)c2cnn(C)c2)C1 859447637 UJQQUQXXVYWVEL-UHFFFAOYSA-N 252.274 -0.394 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C 861656244 DYXYTOLTTPOMRP-SSDOTTSWSA-N 291.304 -0.399 50 20 CBGD Cc1csc(C(=O)NNC(=O)[C@H](C)NC(N)=O)c1 862474220 OGAANFFWKCELCN-LURJTMIESA-N 270.314 -0.126 50 20 CBGD CNS(=O)(=O)CC(=O)NNC(=O)c1cc(C)cs1 862478462 HVWWOJSUONHKMJ-UHFFFAOYSA-N 291.354 -0.633 50 20 CBGD Cc1csc(C(=O)NNC(=O)[C@@]2(O)CCOC2)c1 862480663 ZMZHRNYZAMKSAE-LLVKDONJSA-N 270.310 -0.031 50 20 CBGD C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)[C@H]1C 863467961 OBPNJLFTUFNCPZ-OORONAJNSA-N 292.357 -0.762 50 20 CBGD O=C(NNC(=O)c1c(F)cncc1F)C(=O)N1CCCC1 874257503 BMFSOAMLGYHEBA-UHFFFAOYSA-N 298.249 -0.257 50 20 CBGD C#CCCCC(=O)NNC(=O)CCNC(=O)C=C 887145669 NEDTUJFZFVTGDG-UHFFFAOYSA-N 251.286 -0.370 50 20 CBGD CCS(=O)(=O)NCC(=O)NNC(=S)NC(C)(C)C 899996746 QRKNLTZHVRAFRZ-UHFFFAOYSA-N 296.418 -0.781 50 20 CBGD C[C@H](O)CN(C)NC(=O)C(C)(C)NC(=O)C(F)(F)F 910154256 YDNUQBHUJBYIIO-LURJTMIESA-N 285.266 -0.213 50 20 CBGD C[C@H](O)CN(C)NC(=O)Cn1c(=O)n(C)c2ccccc21 910174252 DLYBHYRLECITDT-JTQLQIEISA-N 292.339 -0.316 50 20 CBGD NNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 914595107 UVFAIETVTWGCBZ-UHFFFAOYSA-N 269.326 -0.022 50 20 CBGD O=C(NN=C1CN2CCC1CC2)[C@@H]1CCS(=O)(=O)C1 915049548 TYEVSBRGTWLOBB-SNVBAGLBSA-N 285.369 -0.381 50 20 CBGD COc1cc(C=NNC(=O)C(N)=O)cc(Cl)c1O 916274900 XJUBHFUIDGEOFJ-UHFFFAOYSA-N 271.660 -0.010 50 20 CBGD Cc1nn(CC(F)F)cc1C(=O)NNC(=O)C(C)(C)O 935562285 FMFOXFKWJBKMKG-UHFFFAOYSA-N 290.270 -0.011 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)c1ccccn1 1116181646 DFYZVLOKAYEPKQ-ZETCQYMHSA-N 266.257 -0.354 50 20 CBGD O=C(CCn1cnccc1=O)NNC(=O)NC1CC1 1117736762 ZRBZUDURRQUQRG-UHFFFAOYSA-N 265.273 -0.874 50 20 CBGD Cc1nc(C)c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)[nH]1 1118910823 LSCWMLVFCCWVSO-ZETCQYMHSA-N 265.273 -0.934 50 20 CBGD O=C(NN=C1CCC(O)CC1)N[C@H]1CCS(=O)(=O)C1 1255838675 FEIPBPXTAGUQSL-RGURZIINSA-N 289.357 -0.236 50 20 CBGD O=C(NCCOC[C@H]1CCOC1)NNC(=O)c1cn[nH]c1 1261789331 AHGCGBJMTQYSET-VIFPVBQESA-N 297.315 -0.593 50 20 CBGD O=C(NNC(=O)[C@@]1(O)CCSC1)C1CCOCC1 1262194558 VWUAAGBQJZYITC-LLVKDONJSA-N 274.342 -0.572 50 20 CBGD CS(=O)(=O)c1ccc(C(=O)NNC(=O)NC2CC2)o1 1318451026 KWFGXCKONRPZFI-UHFFFAOYSA-N 287.297 -0.211 50 20 CBGD COCc1nocc1C(=O)NNC(=O)NC1CC1 1324078070 NILIGCFZFDPOIR-UHFFFAOYSA-N 254.246 -0.073 50 20 CBGD O=C(NCC(F)F)C(=O)NNc1nc2ccccn2n1 1324687284 UKFCDJGKFJODPV-UHFFFAOYSA-N 284.226 -0.446 50 20 CBGD CC(C)(O)C(=O)NNC(=O)COCc1ccncc1 1324754456 KPIUPMGVQUJFAG-UHFFFAOYSA-N 267.285 -0.484 50 20 CBGD CC(C)(C=NNC(=O)[C@H]1CCC(=O)N1)S(C)(=O)=O 1329191121 JPAQBPMZQIZNKY-SSDOTTSWSA-N 275.330 -0.810 50 20 CBGD COc1cc(CCC(=O)NNc2nccn(C)c2=O)on1 1329573494 UXWKVJBDSSQXSY-UHFFFAOYSA-N 293.283 -0.147 50 20 CBGD CN(C)C(=O)c1ccc(CN2CC[C@@H](B(O)O)C2)[nH]1 1331826791 MTLYIXGZPQWLEI-SECBINFHSA-N 265.122 -0.235 50 20 CBGD CN(CCCF)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331975385 FPAOAOXVVMKCGJ-ZETCQYMHSA-N 260.269 -0.703 50 20 CBGD CC(C)NC(=S)NNC(=O)CN1CCC(CO)CC1 1335952109 SGQGUSDWUVRTJX-UHFFFAOYSA-N 288.417 -0.406 50 20 CBGD CC(C)NC(=S)NNC(=O)c1cccn2nnnc12 1339054993 WRLMSELSFAXSEH-UHFFFAOYSA-N 279.329 -0.358 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1sccc1C#N 1343916049 KGGDWUBNDUCDOZ-UHFFFAOYSA-N 296.308 -0.258 50 20 CBGD Cc1nccn1CCCNC(=O)NNC(=O)c1cn[nH]c1 1348089635 OMISDYPIDDLPMY-UHFFFAOYSA-N 291.315 -0.051 50 20 CBGD N#CSCCCNC(=O)c1nccnc1C(N)=O 1351000741 CNHQCSWZLYYMGE-UHFFFAOYSA-N 265.298 -0.090 50 20 CBGD CCC(C)(C)[C@H](O)C(=O)NNC(=O)C1CCNCC1 1576941739 IPYZBMLCDNGQTA-SNVBAGLBSA-N 271.361 -0.070 50 20 CBGD NCCNC(=O)NNC(=O)c1ccc(Cl)c(F)c1N 1580312831 YUSDEVKVWJGBKM-UHFFFAOYSA-N 289.698 -0.036 50 20 CBGD O=C(O)COCCNC(=O)NNC(=O)c1ccccc1F 1602079649 ATOUZUATEYMWMQ-UHFFFAOYSA-N 299.258 -0.129 50 20 CBGD C[C@H](CC(=O)O)CC(=O)NNC(=O)[C@@H]1COCCO1 1604105694 BRBWDJUFJMEWLE-YUMQZZPRSA-N 274.273 -0.950 50 20 CBGD O=C(CCO)NNC(=O)Nc1ccc(C(=O)O)cc1 1608311830 QYJAOVBJOBRXDB-UHFFFAOYSA-N 267.241 -0.080 50 20 CBGD O=C(O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCCCl 1608810724 XSVPVIRSHVUQKK-SFYZADRCSA-N 285.749 -0.145 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)CN(C)S(C)(=O)=O 46318326 AXUWRYHTBKHEJY-UHFFFAOYSA-N 299.352 -0.353 50 20 CBGD Cc1ccc(C(=O)NNC(=O)Cn2ncn(C)c2=O)s1 179454707 DGWKEIWRYUOESU-UHFFFAOYSA-N 295.324 -0.587 50 20 CBGD Cc1nc(CCCC(=O)NNC(=O)CO)cs1 180966545 LJDMJROGTCSZIN-UHFFFAOYSA-N 257.315 -0.086 50 20 CBGD COC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCCO2)O1 292162965 OVFSVMJAKYHOFE-XHNCKOQMSA-N 286.284 -0.967 50 20 CBGD O=C(CN1CSCC1=O)NNC(=O)c1ccncc1 298148289 SAPPIYROSIOSNE-UHFFFAOYSA-N 280.309 -0.625 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)C(=O)NCC(F)F 495858414 VZHNXDOEMQZYAY-UHFFFAOYSA-N 267.232 -0.076 50 20 CBGD CSC[C@@H](CCO)NC(=O)c1ccc(B(O)O)cc1 584962138 BBZWGVSMNMAYPL-LLVKDONJSA-N 283.158 -0.790 50 20 CBGD O=C(N[C@@H]1CCC[C@@H]1CCO)c1cccc(B(O)O)c1 584974300 NHLSHVVRDLXXGI-ZWNOBZJWSA-N 277.129 -0.353 50 20 CBGD N#C[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 585006643 YEHLHOYCTALFAD-MRVPVSSYSA-N 262.049 -0.509 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)o1)C(=O)NC(C)(C)C 585022413 NMXAZBNKNDYLFI-MRVPVSSYSA-N 268.122 -0.648 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCO[C@H]2C2CC2)o1 585032491 VQRLERSALHBEBE-JQWIXIFHSA-N 251.091 -0.384 50 20 CBGD O=C1[C@@H](NCc2ccc(B(O)O)cc2)CCN1C1CC1 585039385 UAFRKZAHDQQYEO-ZDUSSCGKSA-N 274.129 -0.781 50 20 CBGD CCNC(=O)CCC(=O)NNc1nccc(OC)n1 729263388 ZLIDTSXVUQJYKI-UHFFFAOYSA-N 267.289 -0.155 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](N(C)C)C1 732205637 UVAWHJFWCHNBEH-GHMZBOCLSA-N 270.377 -0.042 50 20 CBGD O=C(CN1CCCNC1=O)NNC(=O)NC1CCCC1 744054009 MQLZCXQEPNJCIY-UHFFFAOYSA-N 283.332 -0.325 50 20 CBGD NC(=O)c1c[nH]c(C(=O)NNC(=O)C2CCC2)c1 749387707 KFTIVUPKHOIGHZ-UHFFFAOYSA-N 250.258 -0.325 50 20 CBGD COc1cn(-c2ccccc2)nc1C(=O)NNC(=O)CO 753452330 QIHRLHFHFMWIRG-UHFFFAOYSA-N 290.279 -0.366 50 20 CBGD CC[C@H](SC)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758030309 PQLBMLMQJFTSHJ-BQBZGAKWSA-N 297.402 -0.787 50 20 CBGD O=C(COc1ccccc1F)NNC(=O)c1nc[nH]n1 773253170 VWIYNNSLKQVYRO-UHFFFAOYSA-N 279.231 -0.216 50 20 CBGD Cn1cc(C(=O)NNc2ccnc(F)c2)c(=O)n(C)c1=O 781355724 JNNHFYLJCPZDES-UHFFFAOYSA-N 293.258 -0.625 50 20 CBGD CNS(=O)(=O)CCNC(=O)NNC(=O)CC(C)(C)C 784128147 JGNZQVYYGOTJDS-UHFFFAOYSA-N 294.377 -0.698 50 20 CBGD Cc1cccnc1NNC(=O)Cn1ccc(=O)n(C)c1=O 791217446 RTEDLUKSCADEEQ-UHFFFAOYSA-N 289.295 -0.606 50 20 CBGD CC(C)C(=O)NNC(=O)C1(S(C)(=O)=O)CCC1 792810070 SJRYQYIKCMWZQY-UHFFFAOYSA-N 262.331 -0.243 50 20 CBGD CO[C@H](C(=O)NNC(=O)c1c[nH]nc1C)c1cnn(C)c1 798960436 WYFWQIKHWJGJQS-JTQLQIEISA-N 292.299 -0.400 50 20 CBGD CC#CC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 801133267 MMUDFMGNYGCCLS-UHFFFAOYSA-N 280.305 -0.126 50 20 CBGD Cc1cccnc1C(=O)NNC(=O)CSCC(=O)O 821125192 AOXVCPSSQTVTDV-UHFFFAOYSA-N 283.309 -0.031 50 20 CBGD O=C(NNC(=O)C(=O)N1CCCC1)NOCC1CCC1 824038060 MFNUTVLZUPSDKD-UHFFFAOYSA-N 284.316 -0.329 50 20 CBGD O=C(NNC(=O)c1ccccc1O)NC1CN(C(=O)O)C1 831742617 LQMYFYLPNGJRBB-UHFFFAOYSA-N 294.267 -0.302 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NN=C1CCN(CCO)CC1 842549808 RHAISVMESRVOAG-CMPLNLGQSA-N 269.345 -0.028 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](O)C(C)(C)C 843977072 FMJMSSPOOZBFRZ-YIZRAAEISA-N 258.318 -0.034 50 20 CBGD CN(C)CC(=O)NNC(=O)Cc1cnn2ccccc12 844133143 RVXDIUAWTUSDDU-UHFFFAOYSA-N 275.312 -0.414 50 20 CBGD CCONC(=O)CNC(=O)NNC(=O)CC(F)(F)F 845552560 KANXHTCOCSUNDG-UHFFFAOYSA-N 286.210 -0.663 50 20 CBGD O=C(NNC(=O)[C@H]1CCNC1=O)c1ccc2c(c1)OCO2 854180673 ONHKFFFBQHQXJJ-QMMMGPOBSA-N 291.263 -0.688 50 20 CBGD CC(C)C[C@H](CO)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858694925 CUEFNZKIECMGPQ-BDAKNGLRSA-N 286.332 -0.998 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1F 862448303 BYORZPFOLLRUCM-VIFPVBQESA-N 295.270 -0.126 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2nccn2C1)c1cn[nH]c1 862469617 QOXPVXOXEHWMNY-MRVPVSSYSA-N 274.284 -0.370 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H]2COC[C@@H]21 863885575 LEVKKCHPGBIIHI-YPMHNXCESA-N 275.113 -0.383 50 20 CBGD CCOCCn1cc(C(=O)NN(C)C[C@@H](C)O)cn1 910139883 NCOOZLRYFTUCLW-SNVBAGLBSA-N 270.333 -0.123 50 20 CBGD NCC[C@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 923485503 UCJLWZDPAKZQNA-VIFPVBQESA-N 254.334 -0.786 50 20 CBGD CN(C)[C@H]1[C@@H]2CN(CC(=O)NNC(=O)C3CC3)C[C@@H]21 931281308 XQSBKRAQSGLDCZ-IAZYJMLFSA-N 266.345 -0.964 50 20 CBGD CCN(CCC(=O)NC)CC(=O)NNC(=O)C1CC1 933863661 OSJBODLSQKDKBD-UHFFFAOYSA-N 270.333 -0.998 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CCc1ccncc1 1115987381 BFLQFBHOQAZPSY-UHFFFAOYSA-N 278.312 -0.314 50 20 CBGD CC(C)NC(=S)NNC(=O)c1nccnc1N 1116068938 VJAFSKBRQLBJNP-UHFFFAOYSA-N 254.319 -0.424 50 20 CBGD Cc1nnc(NNC(=O)[C@@H](C)c2cnn(C)c2)nc1O 1116216684 XGGLNBHENWKOFS-LURJTMIESA-N 277.288 -0.134 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@H]2C[C@@]23CCOC3)nn1 1116600861 ROMWNZBSVZJQSC-JMCQJSRRSA-N 277.284 -0.555 50 20 CBGD COC(=O)NNC(=O)Cc1c(C)[nH]c2ccnn2c1=O 1116629403 LVIVRDZTBYBGET-UHFFFAOYSA-N 279.256 -0.739 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@@H](C)c1ncnn1C 1116752119 HMEXXYISFIWYMD-ZETCQYMHSA-N 254.294 -0.138 50 20 CBGD Cc1cccc(NNC(=O)CN2C(=O)CCC2=O)n1 1123916050 JYISNTSHHXGUJC-UHFFFAOYSA-N 262.269 -0.018 50 20 CBGD Cn1cc(C(=O)NNC(=O)C(C)(C)S(C)(=O)=O)cn1 1251910442 ATTSENBVCQFYKY-UHFFFAOYSA-N 288.329 -0.996 50 20 CBGD NS(=O)(=O)c1cnn(CC(=O)NNc2ccccn2)c1 1256497423 XLBJAXJDSNDDCX-UHFFFAOYSA-N 296.312 -0.931 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNc1nncc(N)c1Cl 1261083611 LSSMFTAVTCAFPY-ZCFIWIBFSA-N 284.707 -0.224 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)Nc1cccnc1 1261460996 VHVLUFPHOAYXGI-SCZZXKLOSA-N 292.295 -0.408 50 20 CBGD CN(NC(=O)c1ncc(C(N)=O)cc1Cl)C(N)=O 1320843191 QBMKXCKQRXDUGN-UHFFFAOYSA-N 271.664 -0.511 50 20 CBGD O=C(CCO)NNC(=O)C(=O)Nc1nc2c(s1)CCC2 1320965060 QWKGNNDUSLVIMM-UHFFFAOYSA-N 298.324 -0.900 50 20 CBGD CCOC1CC(CC(=O)NNC(=O)C(=O)NC(C)C)C1 1321009999 JSTMDMSOQFWXCA-UHFFFAOYSA-N 285.344 -0.136 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CCCCN1C1CC1 1321161293 JSQXYHHDHMMNHV-SNVBAGLBSA-N 298.343 -0.493 50 20 CBGD C[C@H]1C[C@H](NC(=O)NNC(=O)c2ncccn2)CO1 1328161844 WBTQBFYNDOMKMJ-YUMQZZPRSA-N 265.273 -0.402 50 20 CBGD Cn1ncc(Cl)c1C=NNC(=O)[C@H]1CCC(=O)N1 1329189974 BJDDZTNRPFGEJQ-SSDOTTSWSA-N 269.692 -0.198 50 20 CBGD C[C@@H](CC(=O)NNC(=O)[C@H]1CCC(=O)N1)n1ccnc1 1330107992 LIPYMGCRTNDCQZ-DTWKUNHWSA-N 279.300 -0.740 50 20 CBGD CC(C)Cn1cc(C(=O)NNC(=O)C(=O)NC2CC2)cn1 1342096283 ADWXRETWLHWKLA-UHFFFAOYSA-N 293.327 -0.421 50 20 CBGD CSSCCNC(=O)C(=O)Nc1ncn(C)n1 1347669167 SIVLFFBHEHJKFX-UHFFFAOYSA-N 275.359 -0.119 50 20 CBGD Cc1nnc(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)s1 1347804038 CHBRQCNTGVZZEJ-XPUUQOCRSA-N 284.341 -0.039 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1CC[C@H]1C(N)=O 1349776411 GNKWHSYUTXUXLY-RNFRBKRXSA-N 258.347 -0.598 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CCCS(C)(=O)=O 1350777619 ACDHJDLPVIEMTG-MRVPVSSYSA-N 252.336 -0.845 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCCCCCCO)N1 1351343817 QOQIORTUIYVWBH-SECBINFHSA-N 286.332 -0.852 50 20 CBGD C[C@]1(C(=O)NNC(=S)Nc2ccccn2)C[C@@H](O)CN1 1576351135 WXHNVFWTKUKUMX-PRHODGIISA-N 295.368 -0.488 50 20 CBGD CC[C@@H]1NCC[C@H]1C(=O)NNC(=O)c1ncon1 1577307245 ARXXKDAXUDIJSU-RQJHMYQMSA-N 253.262 -0.781 50 20 CBGD Cc1nnc(NNC(=O)N[C@@H]2CCN[C@H](C)C2)n1C 1579912808 PZGKFDNFTOSLBZ-VXNVDRBHSA-N 267.337 -0.110 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1C[C@@H](C(=O)O)C1 1589414778 BIFLQNSRMMEGQL-HXFLIBJXSA-N 285.300 -0.395 50 20 CBGD C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NNC(=O)C(=O)O 1594384588 WFCCXURTEWYYOW-BDAKNGLRSA-N 286.332 -0.478 50 20 CBGD CCO/C=C(\C#N)C(=O)N1C[C@H](O)C[C@@H]1C(=O)O 1596862095 MUDXJWBTFUBFMA-VRIGTBSNSA-N 254.242 -0.523 50 20 CBGD O=C(N[C@@H](CC1CC1)C(=O)O)c1cccc(B(O)O)c1 1601408371 BOJGBEYUWZBNHY-NSHDSACASA-N 277.085 -0.651 50 20 CBGD O=C(O)CCC(=O)NNc1nccc(N2CCOCC2)n1 1606101869 XAHMEHDBLHYRTK-UHFFFAOYSA-N 295.299 -0.379 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1n[nH]c2ccccc12 8136825 FWZKAAJZMBZRQW-UHFFFAOYSA-N 289.295 -0.152 50 20 CBGD COc1ccccc1C(=O)NNC(=O)CNC(C)=O 264535151 NLIIXXFRKSDSKU-UHFFFAOYSA-N 265.269 -0.408 50 20 CBGD CCO/C=C(\C#N)C(=O)NNC(=O)c1cc(C)n[nH]1 270641403 KNUDHSCIGPCNGX-SOFGYWHQSA-N 263.257 -0.077 50 20 CBGD CNC(=O)CCCC(=O)NNC(=O)c1cc(C)n[nH]1 275917915 FYRLBJYOAQHEIC-UHFFFAOYSA-N 267.289 -0.605 50 20 CBGD O=C(C[C@H]1CCCC(=O)N1)NNC(=O)c1ccc[nH]1 290044355 ZELHRCFIEFNDFE-MRVPVSSYSA-N 264.285 -0.166 50 20 CBGD COCC[C@H](CO)NS(=O)(=O)CBr 300904205 RFBNZWFRMUNWFK-ZCFIWIBFSA-N 276.152 -0.344 50 20 CBGD CN1CCN(C(=O)NNC(=O)C[C@@H]2CCCC(=O)N2)CC1 367697222 CBDQEOMSZPNHGM-JTQLQIEISA-N 297.359 -0.967 50 20 CBGD CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CO 497235875 JHUKNJBARAHOKC-SECBINFHSA-N 289.332 -0.325 50 20 CBGD C[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)[C@H](C)CO1 584927368 GQFQRAKQZOKJRY-BDAKNGLRSA-N 281.092 -0.245 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@H]1c1ncon1 584992030 JJHWJJWMJJBQJD-NSHDSACASA-N 287.084 -0.273 50 20 CBGD C[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1CCO 585006516 MUUUZSMSWPAPPG-SMDDNHRTSA-N 291.156 -0.011 50 20 CBGD C[C@@H]([C@@H](C)NCc1ccc(B(O)O)cc1)n1cncn1 585019521 CISUCWTZHIUVHE-MNOVXSKESA-N 274.133 -0.303 50 20 CBGD OB(O)c1ccc(CNC[C@@H](O)C2CCC2)c(F)c1 585044565 MWENSYGRBXFYFB-CYBMUJFWSA-N 267.109 -0.244 50 20 CBGD C[C@@H](COCC1CC1)NCc1ccc(B(O)O)o1 585045401 HJRMSOSBYSEDTB-VIFPVBQESA-N 253.107 -0.136 50 20 CBGD COCC1(S(=O)(=O)N2CC[C@H](B(O)O)C2)CC1 585056714 VLGNKQFYFSSYTC-QMMMGPOBSA-N 263.124 -0.956 50 20 CBGD COc1ccc(-n2ccc(C(=O)NCB(O)O)n2)cc1 585062026 ONHPMOYTXRNMIM-UHFFFAOYSA-N 275.073 -0.377 50 20 CBGD O=C(NCB(O)O)c1cncnc1-c1ccccc1 585063131 UMVKXOJATSOPPN-UHFFFAOYSA-N 257.058 -0.115 50 20 CBGD Cc1ccc(NNC(=O)NCCCS(C)(=O)=O)nn1 730023273 IZMFLORBMFNPSV-UHFFFAOYSA-N 287.345 -0.154 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@@H]1CCN(C(C)C)C1=O 734217575 AAKFPEILBGAVNQ-SECBINFHSA-N 270.333 -0.018 50 20 CBGD Cn1cc(C(=O)NNC(=O)CC2CCOCC2)cn1 735446286 KPURJUMITVYFCO-UHFFFAOYSA-N 266.301 -0.002 50 20 CBGD Cc1ccoc1C=NNC(=O)[C@H](C)NS(C)(=O)=O 743438459 NMDSTZYVVZYAMI-QMMMGPOBSA-N 273.314 -0.024 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1cccnn1 760154895 ZYRQTDBBWWJBHT-UHFFFAOYSA-N 253.262 -0.976 50 20 CBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)C(C)(C)C 761136363 QNHCMUFTOHHMLF-UHFFFAOYSA-N 293.389 -0.101 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)c2cnn[nH]2)cc1O 785407999 GQUUBQUXGSDPSS-UHFFFAOYSA-N 272.224 -0.543 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCCc2n[nH]cc21 823134882 HYLYKQMQOGIZCK-UHFFFAOYSA-N 265.317 -0.034 50 20 CBGD CCN(CCO)NC(=O)c1cncc(C(=O)OC)c1 823869545 LIRNQOFRGOQXHN-UHFFFAOYSA-N 267.285 -0.173 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O 823983364 RLYUHDNXSPWVGZ-UWVGGRQHSA-N 293.389 -0.856 50 20 CBGD C[C@H](NNC(=O)[C@@H]1CSCC(=O)N1)C(F)(F)F 826941113 HWPFPLRJESXJNV-WHFBIAKZSA-N 271.264 -0.210 50 20 CBGD CO[C@@H]1COC[C@H]1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 827259449 JAOLEWPYPKEEOL-SGIHWFKDSA-N 287.316 -0.844 50 20 CBGD CSCCNC(=S)NNC(=O)CCS(C)(=O)=O 831575212 BEWHDQUSLHPFGR-UHFFFAOYSA-N 299.443 -0.721 50 20 CBGD CCOC(=O)[C@H](CC)C(=O)NNC(=O)C(=O)N1CCCC1 839610274 LFRIFXSYJAPGTN-SECBINFHSA-N 299.327 -0.655 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)nn1 843663248 XIVZWAUTANCMOU-IUCAKERBSA-N 264.285 -0.029 50 20 CBGD COCCn1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)nn1 843663448 YQFTYCUILHLGNW-BDAKNGLRSA-N 297.315 -0.890 50 20 CBGD Cc1nc(N)nc(C)c1C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843979956 QSKYKUGKOCMQEN-IUCAKERBSA-N 293.327 -0.138 50 20 CBGD CC[C@H](C)C(=O)NNS(=O)(=O)N1CCCOCC1 844651181 VHLGQJVRCVAVBY-VIFPVBQESA-N 279.362 -0.380 50 20 CBGD C[C@@H](Cc1ccco1)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858134612 FDWGIDZNLXIIJG-WCBMZHEXSA-N 294.311 -0.180 50 20 CBGD CC[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C[C@@H](C)O1 858695134 DGPYZGNTSYYORV-BBBLOLIVSA-N 298.343 -0.495 50 20 CBGD CCc1nc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)co1 862461729 QTKGBMWPCQKKOA-LURJTMIESA-N 266.257 -0.723 50 20 CBGD Cc1cc(=NNC(=O)CCCN2C(=O)CNC2=O)cc[nH]1 862509749 TVEGGKIASYSERE-UHFFFAOYSA-N 291.311 -0.413 50 20 CBGD CC[C@H]1CC[C@H](C(=O)NNC(=O)CS(C)(=O)=O)O1 863462544 RBLGQWSGONVFHP-JGVFFNPUSA-N 278.330 -0.864 50 20 CBGD COCCn1cc(C(=O)NNC(=O)NCC2CC2)cn1 865015625 FBWJYHHSGGQNAQ-UHFFFAOYSA-N 281.316 -0.117 50 20 CBGD CN(C)CCCCN(C)C(=O)c1cccc(B(O)O)c1 865976062 GMXTUNYOOMLXMK-UHFFFAOYSA-N 278.161 -0.220 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H]1CN(C)CCO1 887144675 VZBUQORYCTWRNF-JTQLQIEISA-N 253.302 -0.732 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21 906418103 SIAALZZHDLBECR-FKTZTGRPSA-N 269.301 -0.422 50 20 CBGD C[C@H](O)CN(C)NC(=O)CC1(CS(C)(=O)=O)CC1 910163053 KHXISGWIYMUZDY-VIFPVBQESA-N 278.374 -0.455 50 20 CBGD Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=O)c1cnn[nH]1 918690684 NZEGYABAYBNZEI-UHFFFAOYSA-N 279.216 -0.874 50 20 CBGD CCOCCOCCNC(=O)NN(C)C(=O)OC 927540386 YVZYKBZIEXLFNL-UHFFFAOYSA-N 263.294 -0.048 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCO[C@@H]2COCC[C@@H]21 933967568 LXLQNISGXRLWFE-WDEREUQCSA-N 299.371 -0.330 50 20 CBGD Cn1cnc(S(=O)(=O)NNC(=O)NCc2ccco2)c1 1251455908 NLFFLEUOSYKFNU-UHFFFAOYSA-N 299.312 -0.294 50 20 CBGD CC(C)c1cc(NC(=O)C(=O)NNC(=O)CCO)no1 1254906039 YTFBJXWSKGWENC-UHFFFAOYSA-N 284.272 -0.734 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(=O)N1CCCC1 1261450832 JNHQHYUTJXIYLK-ZJUUUORDSA-N 298.343 -0.636 50 20 CBGD CCOC(=O)/C(C#N)=C/N[C@H](C)c1nnnn1C 1262669108 NFYBBJBLINPFOG-UQBZRGDZSA-N 250.262 -0.169 50 20 CBGD O=C(CO)NNC(=O)c1ncoc1[C@@H]1CCCO1 1320967180 BXNDMGGUXRBUOA-LURJTMIESA-N 255.230 -0.721 50 20 CBGD CC(C)C(=O)NNC(=O)Cn1cc([C@H](C)O)nn1 1323944316 WLNJMLFRLRNUSP-ZETCQYMHSA-N 255.278 -0.865 50 20 CBGD Cn1cc(C(=O)C(=O)NNC(=O)C2CCCC2)cn1 1324987633 UHBPAPCCMKHICF-UHFFFAOYSA-N 264.285 -0.060 50 20 CBGD Cc1cc(CC(=O)NNC(=S)NC2CCOCC2)n[nH]1 1325991408 KBBLTAJGEBFRNB-UHFFFAOYSA-N 297.384 -0.065 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cn(C2CCOCC2)nn1 1326074180 GZNLMSYKRYNVBD-UHFFFAOYSA-N 297.315 -0.839 50 20 CBGD Cn1cnnc1COCC(=O)NNC(=O)C1CCC1 1327828069 UGCZZPZRTWPJKS-UHFFFAOYSA-N 267.289 -0.721 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)[C@H](O)C3CC3)nc21 1328324048 SADIXSWYQCRUDJ-SSDOTTSWSA-N 278.272 -0.717 50 20 CBGD COc1ncc(C(=O)N2CC[C@H](B(O)O)C2)cn1 1329216199 UPESHBYZACFVRX-QMMMGPOBSA-N 251.051 -0.826 50 20 CBGD COCCOCC(=O)NNC(=O)CCc1ccn(C)n1 1330602351 GPHDFRNTQKARBP-UHFFFAOYSA-N 284.316 -0.837 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@@H]1CCCN1C(N)=O 1330678323 QBZORLUFEXFXSF-ZETCQYMHSA-N 257.294 -0.732 50 20 CBGD CCN(C)S(=O)(=O)NNC(=O)C1CCOCC1 1330816608 FEXLZCTYVWYJFY-UHFFFAOYSA-N 265.335 -0.770 50 20 CBGD CC(C)(C(=O)N1CC[C@H](B(O)O)C1)S(=O)(=O)C1CC1 1331894281 CBWNXUUNFFNOTD-QMMMGPOBSA-N 289.162 -0.583 50 20 CBGD O=C(C[C@H]1COC(=O)C1)NNC(=O)c1ccccn1 1333356874 INAVJIOURSAWPO-MRVPVSSYSA-N 263.253 -0.204 50 20 CBGD Cn1ccnc(NNC(=O)[C@]2(F)CCOC2)c1=O 1342427760 QYJWPPXYVUERHS-JTQLQIEISA-N 256.237 -0.648 50 20 CBGD O=C(c1cnn(-c2cccnc2)c1)N1CC[C@H](B(O)O)C1 1351727845 BBJYEHQJELYTAY-NSHDSACASA-N 286.100 -0.044 50 20 CBGD Cc1ncc(C(=O)NNC(=O)C(=O)N2CCCC2)n1C 1353876485 QNDCMCTWSUNEKU-UHFFFAOYSA-N 279.300 -0.888 50 20 CBGD CCOC(=O)N[C@H](C(=O)NNC(=O)CCCN)C(C)C 1577992706 XJCMIQLYLFCBAP-JTQLQIEISA-N 288.348 -0.357 50 20 CBGD CC(C)CN(CCC(=O)O)C(=O)c1ccc(B(O)O)cc1 1591332382 XRYIXDFIWAYFHW-UHFFFAOYSA-N 293.128 -0.061 50 20 CBGD C[C@H](CC(=O)O)C(=O)NNC(=O)C1CCOCC1 1592360328 UIQAHSGBHQQZSV-SSDOTTSWSA-N 258.274 -0.329 50 20 CBGD C[C@@]1(CNC(=O)NNC(=O)C(=O)O)CCCS1 1609822488 YUYVNQUFCNCAJJ-VIFPVBQESA-N 261.303 -0.313 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)CC(=O)N(C)C 109826603 GEBCNBFVFUQUAD-SNVBAGLBSA-N 286.376 -0.412 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H](C)N2CCSCC2)[nH]n1 153905209 DUHCLJFFQGQDEZ-SECBINFHSA-N 297.384 -0.084 50 20 CBGD CSCCNC(=S)NNC(=O)Cc1cnn(C)c1 179545462 ZYDADJWMZKQFCZ-UHFFFAOYSA-N 287.414 -0.179 50 20 CBGD CN(NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(N)=O 181087712 BDTPVNXRUNZHNK-UHFFFAOYSA-N 271.208 -0.029 50 20 CBGD C[C@@]1(O)CCN(CC(=O)NNC(=O)c2cccs2)C1 226206702 BXAREOLHXZBJAO-GFCCVEGCSA-N 283.353 -0.034 50 20 CBGD O=C(CNC(=O)NNC(=O)C1CCC1)NCC1CC1 272196458 CFVLKSGGUMGSGA-UHFFFAOYSA-N 268.317 -0.357 50 20 CBGD CCNC(=O)N(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] 272662652 HZFXSUIYVTVHMW-UHFFFAOYSA-N 256.222 -0.376 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCO[C@@H](C(=O)NC)C1 273141699 UPYKRXPGGSAWRN-AAXQSMANSA-N 267.285 -0.596 50 20 CBGD O=C1CCCC[C@H](C(=O)NNC(=O)c2ccccn2)N1 278928215 IRRYBJSQTNVCFK-SNVBAGLBSA-N 276.296 -0.099 50 20 CBGD Cc1nn(C)c(C)c1C(=O)NNC(=O)N1CCN(C)CC1 282799236 ABBMZWWJXNVHCU-UHFFFAOYSA-N 294.359 -0.361 50 20 CBGD CC1(C)C[C@H]1NC(=O)NNC(=O)C(=O)NC1CC1 299095656 VPSPESGLJWVKRA-SSDOTTSWSA-N 254.290 -0.606 50 20 CBGD CCOC(=O)NN=Cc1c(N(C)C)n(C)c(=O)n(C)c1=O 497038830 RYFIDXZMLYUJAV-UHFFFAOYSA-N 297.315 -0.770 50 20 CBGD CC1CCN(CCNC(=O)c2ccc(B(O)O)cc2)CC1 584929081 HWYMPZHHZFAJOD-UHFFFAOYSA-N 290.172 -0.172 50 20 CBGD Cc1nn(C)c(C)c1CNC(=O)c1cccc(B(O)O)c1 584953403 CIVXEBVVCMHKOC-UHFFFAOYSA-N 287.128 -0.353 50 20 CBGD C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)c1ccc(B(O)O)cc1 584985424 MCBRQISQSYPUKT-ODXZIHIVSA-N 295.169 -0.652 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](CCCO)C1 584998205 BYBAFXVLTFJUPS-LLVKDONJSA-N 277.129 -0.399 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@H]2CCOC[C@@H]2C1 585004981 UADKVMZOPIUHMY-ZJUUUORDSA-N 293.103 -0.386 50 20 CBGD CC(C)NC(=O)CCNCc1ccc(B(O)O)cc1 585015633 IAYWPXWKUCIJII-UHFFFAOYSA-N 264.134 -0.629 50 20 CBGD Cc1nccn1CCNCc1ccc(B(O)O)cc1 585021175 QMCVUKPYCYRYER-UHFFFAOYSA-N 259.118 -0.339 50 20 CBGD OB(O)c1ccccc1CN[C@@H]1CCn2ccnc2C1 585037367 ZWJRHENMBQOMDM-GFCCVEGCSA-N 271.129 -0.333 50 20 CBGD O=S(=O)(NCB(O)O)c1onc(C2CC2)c1Cl 585056964 FBRLAJYSOHYQAQ-UHFFFAOYSA-N 280.498 -0.504 50 20 CBGD C=CCc1ccc(OCC(=O)NCB(O)O)c(OC)c1 585058646 LWELHDBGJNTMBQ-UHFFFAOYSA-N 279.101 -0.069 50 20 CBGD O=C1CC(C(=O)NNC(=O)c2cccc(Cl)c2)=NN1 732257703 YPLHKAIVRQFMQX-UHFFFAOYSA-N 280.671 -0.023 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2CCCN2C(N)=O)n1 747207391 YHOBCAIRBBDQHE-ZETCQYMHSA-N 280.288 -0.529 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1ccccn1 748264580 CSEFXUGGOXBBDY-SNVBAGLBSA-N 296.327 -0.037 50 20 CBGD O=C(CO)NNC(=O)CCCOc1ccc2c(c1)OCO2 753438621 OXZLNDOGDCWWKN-UHFFFAOYSA-N 296.279 -0.286 50 20 CBGD COCCOc1ccccc1NC(=O)NNC(=O)CO 756212341 MJYCWUQRFVZOGX-UHFFFAOYSA-N 283.284 -0.143 50 20 CBGD O=C(Cn1ccc(O)nc1=O)NN=c1cc[nH]cc1Cl 757420052 JOKZSKDITMSBLX-UHFFFAOYSA-N 295.686 -0.438 50 20 CBGD CCCCNC(=O)NNC(=O)c1ccc2nnnn2c1 758187856 PGXCDLLJSOGGCR-UHFFFAOYSA-N 277.288 -0.132 50 20 CBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)COC)cc1 764300312 XSMXLLPBJVVZGE-UHFFFAOYSA-N 295.295 -0.182 50 20 CBGD COc1cc(C=O)ccc1OCC(=O)NN(C)C(N)=O 778414451 CYKVWQRXYDVWAE-UHFFFAOYSA-N 281.268 -0.072 50 20 CBGD CNC(=O)NCC(=O)NNc1ncncc1Cl 781836518 OBQLOQOZTBCFOY-UHFFFAOYSA-N 258.669 -0.498 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)N2CCOCC2)CO1 784149015 DBYMRPMUOLTAEB-BDAKNGLRSA-N 257.290 -0.516 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1CO[C@H](C)C1 784149684 PYUUNXMQLHLZFJ-RKDXNWHRSA-N 259.306 -0.222 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@]2(CCOC2)O1 796555751 LBKVSCFDTKOROG-QMTHXVAHSA-N 297.355 -0.576 50 20 CBGD Cn1[nH]cnc1=NC(=O)NNc1cccc(F)n1 806363785 LKSUEAMISLHOMR-UHFFFAOYSA-N 251.225 -0.080 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1COCCN1CC(F)(F)F 823927842 HLTQGFUHROTOSC-BDAKNGLRSA-N 299.293 -0.407 50 20 CBGD CNc1nnc(CC(=O)NN(C)[C@@H](C)CO)s1 823935566 TWEOMFFKDXHKSW-LURJTMIESA-N 259.335 -0.534 50 20 CBGD Cc1n[nH]cc1CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 825767648 XLJMKBPPEWWMQK-PSASIEDQSA-N 281.316 -0.026 50 20 CBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)C1CCC1 827215982 IQLCBIHDJKJFOR-ZETCQYMHSA-N 277.346 -0.738 50 20 CBGD CC(C)C(=O)NNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 827315737 VCJAXCNHLPXCNX-JGVFFNPUSA-N 272.305 -0.571 50 20 CBGD COCCO[C@H](C)C(=O)NN=Cc1nccc(OC)n1 842527049 FUEKNOYLVQFJNT-SECBINFHSA-N 282.300 -0.013 50 20 CBGD Cc1cc(=O)c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cn1C 843970724 KGZIZMJTCMAHNO-NXEZZACHSA-N 293.323 -0.120 50 20 CBGD CCNC(=O)CCCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843973775 LRFCWHYYFSXFLJ-VHSXEESVSA-N 285.344 -0.135 50 20 CBGD CN(C)CCn1ccc(C(=O)NNC(=O)NCC2CC2)n1 847390171 CQPXZOBTZNOLAY-UHFFFAOYSA-N 294.359 -0.201 50 20 CBGD CN(CC(Cl)Cl)C(=O)[C@@H]1CCS(=O)(=O)N1 848084671 FBXDIUOENARNMT-YFKPBYRVSA-N 275.157 -0.060 50 20 CBGD CNC(=O)NCCC(=O)NNC(=S)NCC1CCC1 855087896 SLZSVWBPXYPCNX-UHFFFAOYSA-N 287.389 -0.399 50 20 CBGD C[C@@H]1CSC[C@@H]1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858448552 CIGRYTOTOANPEP-PRJMDXOYSA-N 286.357 -0.653 50 20 CBGD CCOC(=O)CN(C(=O)c1ccc(B(O)O)cc1)C1CC1 863871143 AWWRDSXIPQEYKS-UHFFFAOYSA-N 291.112 -0.466 50 20 CBGD CCC(=O)NNS(=O)(=O)C[C@@]1(OC(C)C)CCOC1 872331952 BRLILEXDOWXZKN-LLVKDONJSA-N 294.373 -0.069 50 20 CBGD C#CCCCC(=O)NNS(=O)(=O)C[C@H](C)OC 901964284 GSLJWWXDHWAUQK-VIFPVBQESA-N 262.331 -0.225 50 20 CBGD CCCCCS(=O)(=O)CC(=O)NN(C)C[C@H](C)O 910166065 RPMIQEQZOOMRPR-JTQLQIEISA-N 280.390 -0.065 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1cccc(CO)c1 913733056 ULTUGLUGYUSVHF-UHFFFAOYSA-N 291.307 -0.438 50 20 CBGD Cn1cc(C=NNC(=O)CO)c(-c2ccncc2)n1 1116482226 KHXFHAPNAHDANH-UHFFFAOYSA-N 259.269 -0.076 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cn(C)nn1 1118275801 ZTXYWIKDKAOGAJ-RQJHMYQMSA-N 253.262 -0.999 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccc2c(c1)CC(=O)N2 1317877305 KHGDBLLMOKBCCL-UHFFFAOYSA-N 260.253 -0.493 50 20 CBGD CC(=O)NCCCCCC(=O)NNC(=O)Cc1cc[nH]n1 1318368537 JWFWWSBPRNSBMM-UHFFFAOYSA-N 295.343 -0.204 50 20 CBGD CN1CCN(C)[C@H](CNC(=O)NNC(=O)c2ccc[nH]2)C1 1318463460 DDZSOISHIXSUSH-SNVBAGLBSA-N 294.359 -0.796 50 20 CBGD Nc1cnnc(NNC(=O)CN2CCCNC2=O)c1Cl 1319237355 YTQZDZMJVLBEOM-UHFFFAOYSA-N 299.722 -0.429 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)c1csnn1 1321553676 PKDABQHGCHMNIC-UHFFFAOYSA-N 263.282 -0.063 50 20 CBGD CNC(=O)c1cccc(C(=O)NNC(=O)C2CC2)n1 1322588442 MBTRXLLSLGRWJY-UHFFFAOYSA-N 262.269 -0.388 50 20 CBGD COCC(=O)N(C)CC(=O)N1CC=C(C#N)CC1 1323595600 NHPSASAFXCCISS-UHFFFAOYSA-N 251.286 -0.227 50 20 CBGD COc1cc(C)ccc1NC(=O)C(=O)NNC(=O)CCO 1325520525 ZBWFZIRKNMTIGF-UHFFFAOYSA-N 295.295 -0.528 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H](C)CS(C)(=O)=O 1329334129 KLJWGAREWHOOBA-LURJTMIESA-N 267.376 -0.866 50 20 CBGD Cc1nnc(CNCc2ccccc2B(O)O)n1C 1330601274 DRGPLKOUWKEBIA-UHFFFAOYSA-N 260.106 -0.907 50 20 CBGD CN1CCC(C(=O)NNC(=O)c2cccnn2)CC1 1334281008 UEQSNGCPDSXAJU-UHFFFAOYSA-N 263.301 -0.421 50 20 CBGD N#CSCCCNC(=O)Cn1cnc(C(N)=O)n1 1334639499 CHLDQRKTDUOADV-UHFFFAOYSA-N 268.302 -0.902 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)C2CC(F)(F)C2)N1 1335329975 PSBXVBSPZTXZSG-LURJTMIESA-N 261.228 -0.542 50 20 CBGD C[C@H](O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1343422572 YRNSPUAFOTVTEO-VIFPVBQESA-N 293.327 -0.779 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCCc2nn[nH]c21 1351035230 QIOOJTKZSXYTIX-YIZRAAEISA-N 293.327 -0.203 50 20 CBGD C[S@](=O)c1ccc(CC(=O)NNC(=O)[C@H]2CCN2)cc1 1579357964 SZEZKWLTYOZLEU-GIPWTMENSA-N 295.364 -0.524 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NN=Cc1cc(C(=O)O)nn1C 1589416065 NSMMERCCBTTZJE-VXNVDRBHSA-N 280.284 -0.007 50 20 CBGD CC[C@H](CNCc1ccccc1B(O)O)C(=O)O 1589552441 PQZXEPKOHKVGID-SECBINFHSA-N 251.091 -0.433 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNc1ncc(Cl)cn1 1593912122 XHVRJTPTDRLJPF-RXMQYKEDSA-N 260.637 -0.327 50 20 CBGD CC1CCN(CCNC(=O)NNC(=O)C(=O)O)CC1 1594419486 GKBGJNIKHYNYHR-UHFFFAOYSA-N 272.305 -0.867 50 20 CBGD Cn1nncc1NNC(=O)[C@H]1CO[C@H](CCC(=O)O)C1 1594598730 ZECIZFFYJPJOOI-HTQZYQBOSA-N 283.288 -0.472 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccc(C(=O)O)n1C 1598661551 HSFTZPLQFBRHFZ-UHFFFAOYSA-N 270.314 -0.196 50 20 CBGD COc1cc(NC(=O)NNC(=O)CCO)ccc1C(=O)O 1599439765 HRRXWWFEZVPGGZ-UHFFFAOYSA-N 297.267 -0.072 50 20 CBGD O=C(NCCOc1ccc(F)cc1)NNC(=O)C(=O)O 1601506690 TWZRARGWNNWLFN-UHFFFAOYSA-N 285.231 -0.381 50 20 CBGD CCOCC(=O)NNC(=O)NC1CC(CC(=O)O)C1 1605619033 SMQNYTVBKSKEMV-UHFFFAOYSA-N 273.289 -0.393 50 20 CBGD O=C(NNC(=O)C1CC1)C(=O)Nc1cc(C(=O)O)cs1 1608477537 LBOYYLLKWYBRRZ-UHFFFAOYSA-N 297.292 -0.058 50 20 CBGD O=C(NNC(=S)NCc1ccccc1)C(=O)NC1CC1 8150534 WJVRPPDRGUVIAH-UHFFFAOYSA-N 292.364 -0.040 50 20 CBGD CNC(=O)NNC(=O)c1ccc(OCC(N)=O)cc1 48950433 ABDCRJIIWFUTMC-UHFFFAOYSA-N 266.257 -0.876 50 20 CBGD CNC(=O)NNC(=O)CNC(=O)Cc1cccc(F)c1 56376456 RTTNGGRWGVWVJT-UHFFFAOYSA-N 282.275 -0.555 50 20 CBGD O=C(NCCC1CC1)NNC(=O)C(=O)N1CCCC1 74818860 ZJFQDJNZPFOQNY-UHFFFAOYSA-N 268.317 -0.261 50 20 CBGD O=C(NNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccoc1 126293693 UZGMBAYKXCQWRN-UHFFFAOYSA-N 265.185 -0.014 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc2ccccc2[nH]c1=O 170796704 KGHZPSVSTFNTFV-UHFFFAOYSA-N 288.307 -0.149 50 20 CBGD Cc1ccc(NNC(=O)NCCC(=O)N(C)C)nn1 171598133 WKGJULYQGSFQJG-UHFFFAOYSA-N 266.305 -0.111 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H]1C=CCC1 264131529 MSFRMPMKJNSOAI-DTWKUNHWSA-N 289.357 -0.572 50 20 CBGD CCN1CCN(C(=O)NNC(=O)C(C)(C)C)CC1=O 273266891 JFPAHZGMIGWJHH-UHFFFAOYSA-N 270.333 -0.063 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CCCN1c1ccccc1 377195030 CKZCIXGSZRUILB-NSHDSACASA-N 263.297 -0.205 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@@H]1CC(=O)N(C)C1=O 490970272 GPZAVGAZKJNOGL-NFXKFNAJSA-N 251.242 -0.696 50 20 CBGD O=C(COc1ccc(B(O)O)cc1)N1CCCCC1 584909076 CEGLXUKQCUXSIA-UHFFFAOYSA-N 263.102 -0.242 50 20 CBGD O=C(CCOC[C@@H]1CCCO1)Nc1cccc(B(O)O)c1 584910849 RLIJMIWFAQTJBB-ZDUSSCGKSA-N 293.128 -0.109 50 20 CBGD CCN1CCOC[C@H]1C(=O)Nc1cccc(B(O)O)c1 584913481 XSEDPJAWWFMYJF-LBPRGKRZSA-N 278.117 -0.974 50 20 CBGD O=C(NCCOCC1CC1)c1ccc(B(O)O)c(F)c1 584943696 KJFLWSHWLASNFM-UHFFFAOYSA-N 281.092 -0.338 50 20 CBGD CC(C)[C@@H](CCO)NC(=O)c1ccc(B(O)O)c(F)c1 584957300 DUXVHHMDUFYMDB-GFCCVEGCSA-N 283.108 -0.358 50 20 CBGD CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 584964593 KEGPHYMMJJTKOV-GFCCVEGCSA-N 290.128 -0.893 50 20 CBGD C[C@@H](NC(=O)c1ccc(B(O)O)cc1)[C@@H]1CCCOC1 584972224 QHQQSYILSAZCGU-ZYHUDNBSSA-N 277.129 -0.089 50 20 CBGD C[C@@H](O)[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584972268 RQFMZPFOKSRUAM-BDAKNGLRSA-N 281.092 -0.652 50 20 CBGD C[C@@H](O)[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584972271 RQFMZPFOKSRUAM-RKDXNWHRSA-N 281.092 -0.652 50 20 CBGD O=C(N[C@H]1CC[C@H](F)C1)c1ccc(B(O)O)cc1 584989648 HRQLYUQMBUIXIL-QWRGUYRKSA-N 251.066 -0.013 50 20 CBGD O=C(NC[C@@H]1CCN1C1CC1)c1cccc(B(O)O)c1 585006092 RDLNFUNWGJSSAG-ZDUSSCGKSA-N 274.129 -0.667 50 20 CBGD CCO[C@@H]1C[C@H](NCc2ccc(B(O)O)cc2)[C@@H]1OC 585035825 YZEYYTQLHNYMPQ-MJBXVCDLSA-N 279.145 -0.352 50 20 CBGD OCCCN1CCC[C@H]1CNCc1ccc(B(O)O)cc1 585043120 IABYQJFIIVNHRN-HNNXBMFYSA-N 292.188 -0.697 50 20 CBGD O=C1C[C@@H](CNCc2cccc(B(O)O)c2)CN1C1CC1 585045611 KGTVZQCBOLTURN-LBPRGKRZSA-N 288.156 -0.533 50 20 CBGD O=C(COCCOc1ccccc1)NCB(O)O 585061611 BFONVFKXQWAPMO-UHFFFAOYSA-N 253.063 -0.790 50 20 CBGD CC1(C)[C@@H](C(=O)N2CC[C@H](B(O)O)C2)[C@H]1C(=O)O 585063497 AUMBZTVCEKARSZ-RNJXMRFFSA-N 255.079 -0.582 50 20 CBGD CN1CCN(C)[C@@H](CNC(=O)NNC(=O)C2CCC2)C1 732254115 TYIVDWUNWAXUSW-NSHDSACASA-N 283.376 -0.637 50 20 CBGD CC(C)OC(=O)CCNC(=O)NNC(=O)c1cnn(C)c1 735513559 XEJWPLKTIJRWDE-UHFFFAOYSA-N 297.315 -0.294 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C[C@@H](C)OC 740852046 IEYLHOKOERCERA-MRVPVSSYSA-N 273.333 -0.136 50 20 CBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)c1ccncc1 746812954 LDYAJUWXZONIEG-QMMMGPOBSA-N 285.325 -0.477 50 20 CBGD O=C(NNC(=S)NC[C@H]1CCOC1)NC1CC1 749692191 QEUXCPZHONYBKR-SSDOTTSWSA-N 258.347 -0.136 50 20 CBGD COc1cc(C(C)=NNC(=O)C(N)=O)c(OC)cc1O 763118135 ZFDMMXCTLSTJJG-UHFFFAOYSA-N 281.268 -0.265 50 20 CBGD Cc1cc(C(=O)NNC(=O)CNC(=O)C2CC2)n[nH]1 765586469 WOKTXPABWYLBRU-UHFFFAOYSA-N 265.273 -0.995 50 20 CBGD COC[C@@H](C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 770325856 SPGYJIBQGHYRPU-PSASIEDQSA-N 279.362 -0.598 50 20 CBGD CC(C)[C@H](CCO)NCC(=O)NNC(=O)C1CC1 771792638 DIOPCNXQSWRETH-JTQLQIEISA-N 257.334 -0.460 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H]1CCCC[C@@H]1C(N)=O 782536779 XIMBWMYZBGYHDC-LPEHRKFASA-N 284.360 -0.434 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCN(CC(F)(F)F)C1 792638683 QTRUDQDJOKOBMD-MRVPVSSYSA-N 296.293 -0.420 50 20 CBGD Cc1cccc(C(=O)NNC(=O)N[C@H]2CCN(C)C2=O)n1 792954078 CWPLOFFZONPVDL-JTQLQIEISA-N 291.311 -0.435 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CCCCN1C(C)=O 795587698 OWCSYOYLRQEQSR-SECBINFHSA-N 256.306 -0.262 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H](C)N1C(=O)CCC1=O 798306354 YMYVJYZDNYLHEH-ZETCQYMHSA-N 284.341 -0.795 50 20 CBGD CCNC(=O)N(C)NC(=O)c1c[nH]nc1[N+](=O)[O-] 801640556 MFKKFVSYUCFJHD-UHFFFAOYSA-N 256.222 -0.376 50 20 CBGD COC[C@H](C)[C@H](C)C(=O)NNC(=O)C(=O)NC1CC1 812452901 DLQZPZZQNPIYBO-YUMQZZPRSA-N 271.317 -0.669 50 20 CBGD CN1CCCC[C@H](C(=O)NNC(=O)[C@H]2CCCCO2)C1=O 823237116 MSWNFYOLOQBELF-GHMZBOCLSA-N 297.355 -0.039 50 20 CBGD COCCCOCCC(=O)NNC(=O)Cc1cc[nH]n1 826667785 RTXWYKGNLYTJOQ-UHFFFAOYSA-N 284.316 -0.457 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@H]2CCCN2C=O)nc1 831285529 NCEQETMQPBSRDZ-SNVBAGLBSA-N 292.295 -0.068 50 20 CBGD CC(=O)C1(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1 843970330 DUHWSVLQINRUHH-APPZFPTMSA-N 254.286 -0.072 50 20 CBGD CN(C)S(=O)(=O)N(C)CC(=O)NNc1ccccn1 845918873 TYSPDLQHUYSYQX-UHFFFAOYSA-N 287.345 -0.737 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)C1(O)CCC1 854385901 GDFULELCYJGZRB-UHFFFAOYSA-N 274.317 -0.162 50 20 CBGD CN(NC(=O)c1cc(S(N)(=O)=O)ccc1O)C1CC1 854983777 STYSYJBSECWJPS-UHFFFAOYSA-N 285.325 -0.221 50 20 CBGD COCCOCc1ccc(NC(=O)NNC(=O)CO)cc1 861568563 WDWYLPQSQXMBAR-UHFFFAOYSA-N 297.311 -0.005 50 20 CBGD COCCN(C)NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 861657504 YFGOFRRUUIRUOS-SNVBAGLBSA-N 295.343 -0.618 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CC23CCSCC3)N1 862461847 RUWAMNPLBOPKBC-BDAKNGLRSA-N 297.380 -0.054 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CC23CCSCC3)N1 862461849 RUWAMNPLBOPKBC-DTWKUNHWSA-N 297.380 -0.054 50 20 CBGD CO[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)C(C)C 862462654 ZKJWBAUKDXTREH-APPZFPTMSA-N 257.290 -0.917 50 20 CBGD COC(=O)c1cc(C)nc(N2CC[C@H](B(O)O)C2)n1 864234436 VQIILXXFZYTXJS-QMMMGPOBSA-N 265.078 -0.375 50 20 CBGD CC[C@@H](NC(C)=O)C(=O)NNC(=O)NCC1CC1 865016165 YFSPOIPBKZXMAN-SECBINFHSA-N 256.306 -0.359 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H](C)CN1CCOCC1 910156307 SGUIBHYFJVCGIV-QWRGUYRKSA-N 259.350 -0.702 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)C2CCCC2)CN1 915857085 JJSJJJKDNFDLRH-VIFPVBQESA-N 253.302 -0.150 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccccn2)CN1 916093121 HAGQLMYHDFYFQD-MRVPVSSYSA-N 262.269 -0.631 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N2C[C@@H]3[C@H](C2)C3(F)F)N1 1118864175 LVFKXANCOJJZRS-XVMARJQXSA-N 288.254 -0.797 50 20 CBGD C[C@H]1CC(=O)CC[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 1119663454 PVPRSUUYQUOSTD-ONGXEEELSA-N 295.339 -0.239 50 20 CBGD NC(=O)c1cnn2c(C(=O)NNc3ccccn3)ccnc12 1254245179 ILVZGKXXOYRYIS-UHFFFAOYSA-N 297.278 -0.020 50 20 CBGD Cn1cc(C(=O)NNC(=O)NC[C@]2(C)CCOC2)cn1 1318569775 DJFTZGGTTRBXHC-LBPRGKRZSA-N 281.316 -0.209 50 20 CBGD COCCCNC(=O)NNC(=O)c1nonc1C 1318913967 VIYIJTXKSVENOZ-UHFFFAOYSA-N 257.250 -0.641 50 20 CBGD Cn1c(CN2CC=C(C#N)CC2)cc(=O)n(C)c1=O 1319923743 AOOLFCZKNLSJDB-UHFFFAOYSA-N 260.297 -0.260 50 20 CBGD O=C(CCn1ccnc1)NNC(=O)C(=O)N1CCCC1 1321289857 OSDWGBQDWVNOTA-UHFFFAOYSA-N 279.300 -0.957 50 20 CBGD O=C(NN=C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1321467567 NSHONQLDXQWYLK-RKDXNWHRSA-N 260.315 -0.440 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)C1(O)CCOCC1 1324121831 QLBWQKXPUVVORJ-UHFFFAOYSA-N 279.296 -0.687 50 20 CBGD C[C@H](C(=O)NN=c1cc[nH]cc1)N1C(=O)CCC1=O 1325091802 RVFQAJWCBSBTGZ-MRVPVSSYSA-N 262.269 -0.516 50 20 CBGD CC[C@@H](C#N)C(=O)NNC(=O)C(=O)Nc1ccccn1 1328690292 VCWAFVQUCBHVTM-QMMMGPOBSA-N 275.268 -0.283 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)Cc1nncn1C 1328793748 OWEBXTAQAXNZDL-QMMMGPOBSA-N 268.321 -0.807 50 20 CBGD CCOc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)[nH]n1 1329338920 LBFWNMGXEREJKY-JGVFFNPUSA-N 282.300 -0.006 50 20 CBGD CN(C)CCCNC(=O)NNC(=O)C1CCOCC1 1331290449 RNSOFXOLLFUHPZ-UHFFFAOYSA-N 272.349 -0.305 50 20 CBGD C[C@H](NNC(=O)C1(NC(N)=O)CC1)C(F)(F)F 1331671484 UUUPBZVWOTZJEG-BYPYZUCNSA-N 254.212 -0.241 50 20 CBGD O=C(COCc1ccncc1)NNC(=O)[C@H]1CCC(=O)N1 1331803001 KGNNEMYCJXBZQE-SNVBAGLBSA-N 292.295 -0.976 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCc2nnn(C)c2C1 1334201822 KAEMMXRKYVBZBJ-IUCAKERBSA-N 267.333 -0.736 50 20 CBGD C[C@@H](CS(C)(=O)=O)C(=O)NNc1ccncn1 1334804068 VPYPFMBVXGIWML-ZETCQYMHSA-N 258.303 -0.400 50 20 CBGD Cn1cc(C(=O)NNC(=S)NCc2ccon2)cn1 1340495414 RKNWRQGMXBUUMX-UHFFFAOYSA-N 280.313 -0.283 50 20 CBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)NCC1CC1 1345692910 UQVFLUPVCDPHQN-ONGXEEELSA-N 281.360 -0.885 50 20 CBGD O=C1Cc2ccc(CC(=O)N3CC[C@@H](B(O)O)C3)cc2N1 1348490572 SSPNZQAEXYWYQR-LLVKDONJSA-N 288.112 -0.201 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)C2CCSCC2)N1 1351715373 FDAWNEMSRKCCCU-QMMMGPOBSA-N 271.342 -0.444 50 20 CBGD CN1C[C@@H](C(=O)NNc2ccc(Cl)cn2)NCC1=O 1578519706 PVIQOJUEEAFRRU-QMMMGPOBSA-N 283.719 -0.392 50 20 CBGD Cn1ncc(CN)c1C(=O)NNC(=O)C1CCC1 1580001226 RDLCLBHCEOYGFV-UHFFFAOYSA-N 251.290 -0.560 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)[C@H]1CCCS1 1593908828 MDWYFBMKMAPAKD-PHDIDXHHSA-N 262.287 -0.871 50 20 CBGD O=C(O)COCC(=O)NNC(=O)c1cccc(Cl)n1 1595107038 KAUUIIXWTUXKRO-UHFFFAOYSA-N 287.659 -0.403 50 20 CBGD O=C(NCCc1ccc(F)c(F)c1)NNC(=O)C(=O)O 1601510718 LSEUKZQMRJQUDP-UHFFFAOYSA-N 287.222 -0.078 50 20 CBGD O=C(O)c1cccc(NNC(=O)[C@]2(O)CCOC2)c1 1602446754 OHEGIKIVFYBKKN-LBPRGKRZSA-N 266.253 -0.021 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cn1ccc(C(=O)O)n1 1604836443 WTHVFNYTYDYYPB-HTQZYQBOSA-N 296.283 -0.846 50 20 CBGD O=C(O)C(=O)NN=C1CS(=O)(=O)Cc2ccccc21 1608531115 QXVJJXNYANQMCN-UHFFFAOYSA-N 282.277 -0.480 50 20 CBGD O=C(O)COCC(=O)NNC(=O)c1ccc(Cl)nc1 1608756754 VLHWRFOJZHFIEE-UHFFFAOYSA-N 287.659 -0.403 50 20 CBGD CC[C@H](C)[C@H](CNC(=O)NNC(=O)C(=O)O)OC 1609898603 HIDFPRLNAORUCC-BQBZGAKWSA-N 261.278 -0.538 50 20 CBGD CC(=O)NNC(=O)Nc1ccc(S(N)(=O)=O)cc1 48417444 AXYAWRISWWMKSK-UHFFFAOYSA-N 272.286 -0.493 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cn(C)nc2C)[nH]n1 153298941 HGNJNBQDDHWRBX-UHFFFAOYSA-N 262.273 -0.165 50 20 CBGD C[C@@H](O)CN(C)CC(=O)NNC(=O)c1ccc(F)cc1 159443228 SCXNADABYPZOEW-SECBINFHSA-N 283.303 -0.101 50 20 CBGD Cc1cc(C(=O)NNC(=O)CO)nc(C(F)(F)F)n1 188586557 LTIKKUBXGVYBOY-UHFFFAOYSA-N 278.190 -0.443 50 20 CBGD CCC[C@](C)(O)C(=O)NNC(=O)CNC(=O)c1ccco1 269282731 AXKKTOROVWWQGW-ZDUSSCGKSA-N 297.311 -0.292 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)c1cccc(N(C)C)c1 298344522 MBCHEIIYABPKSX-UHFFFAOYSA-N 292.339 -0.008 50 20 CBGD O=C(COc1ccc(B(O)O)cc1)NC[C@@H]1CCCO1 584909766 QGIFACQFKOVVLR-LBPRGKRZSA-N 279.101 -0.960 50 20 CBGD CC[C@@](C)(CO)C(=O)Nc1cccc(B(O)O)c1 584911586 JYVSPFKWTYPYJV-LBPRGKRZSA-N 251.091 -0.287 50 20 CBGD C[C@H]1C[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)CCN1C 584950421 KIERBPWQSGLILB-ONGXEEELSA-N 294.135 -0.282 50 20 CBGD CC(C)(CO)CCCNC(=O)c1ccc(B(O)O)cc1 584961070 XNCMJZSZGCFSOW-UHFFFAOYSA-N 279.145 -0.105 50 20 CBGD C[C@@H]1[C@@H](CO)CCN1C(=O)c1ccc(B(O)O)cc1 584982284 MVUYLAJJHLCNCJ-MWLCHTKSSA-N 263.102 -0.791 50 20 CBGD C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)CC[S@@](=O)C1 584983237 PQZBRFGYWXDMCF-WVDJIFEKSA-N 295.169 -0.793 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 584987011 QGJSIFRXZBNSPN-YRASXDPISA-N 287.124 -0.792 50 20 CBGD OB(O)c1ccc(CNCCCOc2ccncc2)o1 585036443 JWXRJQYQUFUWMI-UHFFFAOYSA-N 276.101 -0.087 50 20 CBGD C[C@@H](CCCO)CNCc1ccc(B(O)O)cc1 585044073 YIMGZYFXWRAWFZ-NSHDSACASA-N 251.135 -0.135 50 20 CBGD CC(C)NC(=O)[C@H](C)NCc1ccc(B(O)O)cc1 585046295 PIOQFWGVHUHHHK-JTQLQIEISA-N 264.134 -0.631 50 20 CBGD COCC[C@@](C)(O)C(C)(C)CNCc1ccc(B(O)O)o1 585047268 MJKBREILTFTQIB-CQSZACIVSA-N 299.176 -0.137 50 20 CBGD COc1ccc(S(=O)(=O)NCB(O)O)cc1C 585054806 RJTBBTUFEBQKPL-UHFFFAOYSA-N 259.092 -0.706 50 20 CBGD C[C@@H](C(=O)NNC(=O)NCc1ccco1)n1cncn1 729920160 IFWSUWSZOGVLEY-QMMMGPOBSA-N 278.272 -0.037 50 20 CBGD NC(=O)c1cccc(C(=O)NNC(=O)Cc2cc[nH]n2)c1 730091631 QVCIQNQBTRFXQT-UHFFFAOYSA-N 287.279 -0.488 50 20 CBGD CC(CS(C)(=O)=O)=NNC(=O)C(=O)NC(C)C 732528491 MBWQZVQCJMBPGQ-UHFFFAOYSA-N 263.319 -0.952 50 20 CBGD C[C@@H](C(=O)NNC(=O)N(C)C)N1CCSCC1 750857119 RJTIDRYZMFXWNH-QMMMGPOBSA-N 260.363 -0.274 50 20 CBGD COCCCNC(=O)NNC(=O)CCn1ccnc1 751370520 FBMUYFXUPNRKHV-UHFFFAOYSA-N 269.305 -0.360 50 20 CBGD O=C(CO)NNC(=O)Cc1ccn(-c2ccc(F)cc2)n1 753443076 RMNYWUDSZZEDFN-UHFFFAOYSA-N 292.270 -0.306 50 20 CBGD O=C(CO)NNC(=O)c1csc(-c2cnccn2)n1 753444363 LEZDYSDOKLKXMM-UHFFFAOYSA-N 279.281 -0.647 50 20 CBGD Cn1[nH]cnc1=NC(=O)NNC(=O)c1ccncc1 757762586 VJHJMKKWUKETMQ-UHFFFAOYSA-N 261.245 -0.902 50 20 CBGD CCS(=O)(=O)NCC(=O)NNC(=O)C(C)(C)C 758441008 VHGUJYJBLSYKQA-UHFFFAOYSA-N 265.335 -0.881 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@@H]2CCSC2)nn1 762554222 KOLFAYMCLSBVBE-ZCFIWIBFSA-N 267.314 -0.228 50 20 CBGD Cc1cc(C(=O)NNC(=O)COc2cccnc2)n[nH]1 768278215 KHAJNPKRVHOACR-UHFFFAOYSA-N 275.268 -0.047 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H]1CCCO1 770710181 GYCAVGBUOQGBBE-IVZWLZJFSA-N 271.317 -0.079 50 20 CBGD CN(NC(=O)COc1ccc(C=O)cc1)C(N)=O 778411935 KRRMBUIPEAJCHC-UHFFFAOYSA-N 251.242 -0.080 50 20 CBGD CN(NC(=O)C#Cc1ccc2c(c1)OCO2)C(N)=O 778417018 MKVOHFFVUSSZCB-UHFFFAOYSA-N 261.237 -0.192 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCn1ccccc1=O 787944549 AGEMFEYFVSXVMQ-UHFFFAOYSA-N 267.285 -0.843 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cccc2c1OCO2 787946600 HBKAXMBHTUYRIB-UHFFFAOYSA-N 266.253 -0.053 50 20 CBGD Cc1nn(C)c(Cl)c1C(=O)NNC(=O)C(C)(C)O 787949866 PTTKNGIVTBKGCR-UHFFFAOYSA-N 274.708 -0.086 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=CCC1CCOCC1 788713929 MIWAGTXIZTVMIR-SECBINFHSA-N 291.373 -0.157 50 20 CBGD CSCCONC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 793421961 YZDVJIILQOBTQK-VIFPVBQESA-N 297.402 -0.338 50 20 CBGD COCCN(C)NC(=O)CSc1nnnn1C1CC1 808074805 BJNMIPWXTVWYMB-UHFFFAOYSA-N 286.361 -0.291 50 20 CBGD CN1CCN(C(=O)NNC(=O)N2CCCC2)CC1 808470976 PCNAINVQZXPSGF-UHFFFAOYSA-N 255.322 -0.336 50 20 CBGD CC(C)CN1C[C@@H](C(=O)NN(C)[C@@H](C)CO)CC1=O 823977265 SDGKBKRJSDOIOF-QWRGUYRKSA-N 271.361 -0.165 50 20 CBGD Cc1ncc(C(=O)NNC(=O)N2CCOCC2)c(N)n1 824621251 KMTLJOUWOIJVAZ-UHFFFAOYSA-N 280.288 -0.946 50 20 CBGD CCN1C[C@H](NC(=O)NNC(=O)C(C)(C)C)CC1=O 836291693 HNPPWXAESJDKHZ-MRVPVSSYSA-N 270.333 -0.016 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cnc(C(=O)O)cn1 842650835 MFKVZVIPDCIYLD-UHFFFAOYSA-N 267.245 -0.519 50 20 CBGD COC(=O)NCCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843651817 PCPPNWXGWXMMMA-YUMQZZPRSA-N 273.289 -0.695 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](N2CCOC2=O)C1 852436790 NJMZBBNLHZGDJE-VHSXEESVSA-N 298.343 -0.541 50 20 CBGD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCCSC#N 854360956 IPZVAUUKVWLPDH-PSASIEDQSA-N 285.369 -0.017 50 20 CBGD O=C(NNC(=O)C1SCCS1)c1cn[nH]c1 862472686 QZUPYFXNZVCMRS-UHFFFAOYSA-N 258.328 -0.023 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1ccccn1 863190440 WFNMJYDONOIDOI-UHFFFAOYSA-N 255.299 -0.034 50 20 CBGD CC(C)CC(=O)NNC(=O)c1cc(=O)n(C)cn1 873926916 PXDOBKSDCMFASK-UHFFFAOYSA-N 252.274 -0.413 50 20 CBGD COC(=O)N(C)NC(=O)NC[C@@]1(OC)CCOC1 875496286 PMEDNTMNMKMUFW-JTQLQIEISA-N 261.278 -0.296 50 20 CBGD Cc1cnc2c(C(=O)NN(C)[C@H](C)CO)cnn2c1 911445400 UNVWDYUCTGNJDO-SECBINFHSA-N 263.301 -0.005 50 20 CBGD O=C(NNC(=O)[C@@H]1COCCO1)c1ccncc1 915059527 WVEDZTXQOHQHBE-VIFPVBQESA-N 251.242 -0.742 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)Cn1nc(C)cc1C 915263231 FIVVEIPEFDBRFW-SNVBAGLBSA-N 295.343 -0.438 50 20 CBGD C[C@@H](Cc1ccco1)NC(=O)NNC(=O)C(=O)NC1CC1 916509707 SIFVTCFRPNPBAG-QMMMGPOBSA-N 294.311 -0.180 50 20 CBGD N#C[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 928233037 YUYUVKWUVBEWRW-SNVBAGLBSA-N 258.086 -0.258 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCc1nc(C)cs1 1116181616 CDZJXHVDQPYVOM-UHFFFAOYSA-N 286.313 -0.503 50 20 CBGD CN(C)C(=O)CCNC(=O)NNC(=O)Cc1ccncc1 1116195374 DJKOWWUACNRZBY-UHFFFAOYSA-N 293.327 -0.567 50 20 CBGD O=C(CCl)NC[C@@H]1CCC[C@]12NC(=O)NC2=O 1116438081 BDVMCIKNBBCPJC-WKEGUHRASA-N 259.693 -0.280 50 20 CBGD NC(=O)c1ccc(NNC(=O)c2cncc(Cl)n2)nn1 1116784700 VOOKCWBWTCWPOY-UHFFFAOYSA-N 293.674 -0.224 50 20 CBGD Cc1c(C#N)cccc1C(=O)NNC(=O)C(=O)NC1CC1 1116929854 AVYMCZKYGJYQDZ-UHFFFAOYSA-N 286.291 -0.094 50 20 CBGD CC(=O)N[C@@H](CC(=O)NNc1cccc(F)n1)C(N)=O 1117270404 KGFFYGDACDEGCK-ZETCQYMHSA-N 283.263 -0.956 50 20 CBGD COCC[C@H](C)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1118865665 PVRFILJRUOWVKX-DTWKUNHWSA-N 286.332 -0.732 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)/C=C/C1CCOCC1 1118895602 VZEKKRCQWAWGJZ-NSCUHMNNSA-N 290.341 -0.839 50 20 CBGD C[C@@H](CC(=O)NNC(=O)Cc1cc[nH]n1)n1ccnc1 1261510419 YGVMKDJZJLIXLB-VIFPVBQESA-N 276.300 -0.053 50 20 CBGD O=C(CCO)NNC(=O)Nc1nnc(C2CC2)s1 1261544824 GQNINVJTAXVYOU-UHFFFAOYSA-N 271.302 -0.049 50 20 CBGD C#CCCCC(=O)NNC(=O)CN1C(=O)CCC1=O 1263947180 JIKFIFZNQDYBGS-UHFFFAOYSA-N 265.269 -0.914 50 20 CBGD COCCCNC(=O)NNC(=O)c1c[nH]c(C(N)=O)c1 1318030648 WLALBOTWTUYTRD-UHFFFAOYSA-N 283.288 -0.906 50 20 CBGD CCN1CCO[C@@H](C(=O)NNC(=S)NC(C)C)C1 1322210883 IAGLZNILEZKVCD-SECBINFHSA-N 274.390 -0.389 50 20 CBGD CC1(NC(=S)NNC(=O)[C@H]2CCS(=O)(=O)C2)CC1 1323266194 BUSIUMQPJVYBPW-ZETCQYMHSA-N 291.398 -0.531 50 20 CBGD CS(=O)(=O)c1ccc(C(=O)NNc2nc[nH]n2)cc1 1324334675 NECWUBXUWCEETH-UHFFFAOYSA-N 281.297 -0.035 50 20 CBGD Cn1nncc1NNC(=O)CNC(=O)c1cccc(O)c1 1324568632 IEGSNENWJBXAOK-UHFFFAOYSA-N 290.283 -0.606 50 20 CBGD O=C(NNC(=O)N1CCO[C@H]2C[C@@H]21)c1cn[nH]c1 1329759760 QJKLRQZZTHTMFA-YUMQZZPRSA-N 251.246 -0.763 50 20 CBGD C[C@@H](Cc1cnn(C)c1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1331803246 NICWJTSSPCJIGX-WCBMZHEXSA-N 293.327 -0.975 50 20 CBGD CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)C1CCOCC1 1332330886 UEHPMGYSHUFHRD-PSASIEDQSA-N 258.318 -0.033 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1=CCOCC1 1332467171 BREFIWHLRGDRQB-WPRPVWTQSA-N 254.286 -0.095 50 20 CBGD CCO/C=C(\C#N)C(=O)N1C[C@@H](CO)[C@@H](CO)C1 1332489146 QLCXYKIVFYFQJS-DKZNMJHJSA-N 254.286 -0.510 50 20 CBGD NC(=O)c1ccc(/C=C/C(=O)N2CC[C@H](B(O)O)C2)o1 1335429385 BPTVRVZGOABMEY-KHVHVRLGSA-N 278.073 -0.533 50 20 CBGD CN(NC(=O)Cc1csc(-c2nc[nH]n2)n1)C(N)=O 1341602929 FNQATNZDGFVIBS-UHFFFAOYSA-N 281.301 -0.488 50 20 CBGD CCOCC(=O)NNC(=O)NCC1CC(OC)(OC)C1 1349421943 AVPWLAFTGIJAHQ-UHFFFAOYSA-N 289.332 -0.248 50 20 CBGD CO[C@@H]1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)[C@@H](C)C1 1351352742 LZCRWLHFXWYWQB-AEJSXWLSSA-N 298.343 -0.495 50 20 CBGD COc1ccc(NNC(=O)[C@H]2CN3CCN2C[C@@H]3C)nc1 1521364568 ISYOZUAXYGNQHI-CMPLNLGQSA-N 291.355 -0.078 50 20 CBGD COCCN(C)NC(=O)c1cc(O)cc(-c2nn[nH]n2)c1 1591420440 GWABBDXPKALQPA-UHFFFAOYSA-N 292.299 -0.205 50 20 CBGD O=C(NNC(=O)c1cnc(C(=O)O)cn1)c1ccoc1 1594780494 SKTYUGKVTMTERP-UHFFFAOYSA-N 276.208 -0.157 50 20 CBGD O=C(O)CCCNC(=O)NNC(=O)c1cnsn1 1595050154 ANGOBCFFGIGCIM-UHFFFAOYSA-N 273.274 -0.653 50 20 CBGD O=C(O)CSCC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1595126800 LDWKILHZHXLLFF-BWZBUEFSSA-N 288.325 -0.481 50 20 CBGD COC[C@H](CNC(=O)NNC(=O)C(=O)O)C(C)C 1599166260 MLYJLMOMAYNZMY-ZETCQYMHSA-N 261.278 -0.680 50 20 CBGD C[C@H](CC(=O)O)CC(=O)NNC(=O)c1ncccn1 1604107130 VELXPOKKWJHWMF-ZETCQYMHSA-N 266.257 -0.262 50 20 CBGD C[C@H](NC(=O)NNC(=O)C(=O)O)c1cccc(O)c1 1607455896 YVOUFBKSYHROIL-LURJTMIESA-N 267.241 -0.132 50 20 CBGD CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NNC(=O)C(=O)O 1609813392 CZSLUTCXJVYBFO-QYNIQEEDSA-N 271.273 -0.785 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(C#N)cc1 48962049 NTWJNVWFBJKRTK-UHFFFAOYSA-N 254.271 -0.319 50 20 CBGD Cc1ccc(C(=O)NNC(=O)NCCN2CCOCC2)o1 83992092 JMQSSFLJDWEUJQ-UHFFFAOYSA-N 296.327 -0.136 50 20 CBGD CN(C)CC(=O)NNC(=O)c1noc2c1CCCC2 113425192 HXRVYIXFRJFRHA-UHFFFAOYSA-N 266.301 -0.124 50 20 CBGD Cc1cc2c(cc1C)[C@H](C(=O)NNC(=O)CO)CO2 184489583 UBHSWDKNJUPNPZ-SNVBAGLBSA-N 264.281 -0.081 50 20 CBGD O=C(CN1CCSC1=O)NNc1ncnc2nc[nH]c12 266514524 YELBDGFPASPIER-UHFFFAOYSA-N 293.312 -0.035 50 20 CBGD Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NN 270200067 FWKINQULVTXCKZ-SNVBAGLBSA-N 264.264 -0.106 50 20 CBGD CN1CC(=O)N(CC(=O)NNc2cccc(F)n2)C1=O 286614793 QOVGOBYESCCXLM-UHFFFAOYSA-N 281.247 -0.442 50 20 CBGD C#CCO[C@H](C)C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 295626181 PMZOWUBIYLLHTR-AEJSXWLSSA-N 254.286 -0.260 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 299115031 JDSFTKXWRFWKKR-RXMQYKEDSA-N 282.222 -0.643 50 20 CBGD C[C@H]1[C@@H](CO)CCCN1C(=O)c1ccc(B(O)O)c(F)c1 585000965 RXBXFPVVQNZONO-GXSJLCMTSA-N 295.119 -0.262 50 20 CBGD CN(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(B(O)O)cc1 585001341 WKTLGANGOBIFTC-KBPBESRZSA-N 290.172 -0.031 50 20 CBGD CC(C)(C)NC(=O)CCNCc1ccc(B(O)O)cc1 585023437 IDWDRUGGTJXKSZ-UHFFFAOYSA-N 278.161 -0.239 50 20 CBGD O=C(NCCCNCc1ccc(B(O)O)o1)C1CCC1 585026744 RDIOPPMBTMMEMX-UHFFFAOYSA-N 280.133 -0.645 50 20 CBGD C[C@H]1CN(C2CC2)C[C@@H]1NCc1ccc(B(O)O)o1 585028639 NZMQXSWKHGHBGS-CABZTGNLSA-N 264.134 -0.468 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCn3ccnc3C2)cc1 585036418 IYXGETWCIOCDBD-CYBMUJFWSA-N 271.129 -0.333 50 20 CBGD Cc1cnc2c(S(=O)(=O)NCB(O)O)cccc2c1 585054022 GEBFGWLOVKQCBH-UHFFFAOYSA-N 280.114 -0.166 50 20 CBGD CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NCB(O)O 585054655 PBXFRVLSYCUGJQ-ZDUSSCGKSA-N 292.144 -0.502 50 20 CBGD CCc1ncc(S(=O)(=O)N2CC[C@H](B(O)O)C2)s1 585058356 DGUJOYYWDVTSGG-ZETCQYMHSA-N 290.175 -0.057 50 20 CBGD CCN(CC)C(=O)c1ccc(C(=O)NCB(O)O)cc1 585060087 MHRQPDMRMVLPBI-UHFFFAOYSA-N 278.117 -0.090 50 20 CBGD COc1ccc(C(=O)CCC(=O)NCB(O)O)cc1 585060538 FZEXWKWRWNSFPA-UHFFFAOYSA-N 265.074 -0.214 50 20 CBGD CN(CC1CC1)S(=O)(=O)NNC(=O)c1cnccn1 737755773 GAWQPMRCXXJGBW-UHFFFAOYSA-N 285.329 -0.702 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CCc2c[nH]nc2C1 742585729 NFORGSGJEJFXMH-ZETCQYMHSA-N 251.290 -0.135 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)c2ccncc2)on1 769534477 IZCOGBQKDAFEMN-UHFFFAOYSA-N 290.235 -0.069 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@]12CCOC2 772360192 UUFIMZUEYPDJFA-RVBZMBCESA-N 284.312 -0.098 50 20 CBGD CCCCNC(=S)NNC(=O)NCC(=O)OC 779721220 MWEAZYAFIQWOPD-UHFFFAOYSA-N 262.335 -0.362 50 20 CBGD CN(C)C(=O)CNC(=O)NNc1ncncc1Cl 780947640 ZAAXOTMRMMROGD-UHFFFAOYSA-N 272.696 -0.156 50 20 CBGD Cc1c[nH]cc(C(=O)NNC(=O)CN(C)C)c1=O 781422914 RHVOSFRQAKRFLG-UHFFFAOYSA-N 252.274 -0.994 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)c2cccc(C#N)c2)C1 788447280 XUXYTRXFLLHAPK-UHFFFAOYSA-N 286.291 -0.202 50 20 CBGD CC(=NNC(=O)N1CCN(C)CC1)c1cnnn1C 814911933 HEQPBRGFOBHYTE-UHFFFAOYSA-N 265.321 -0.504 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H]1C(=O)O 817797114 HZJBMYSXAHXRJW-MRVPVSSYSA-N 271.317 -0.271 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C1(N(C)C)CC1 826753366 FCZSRCSNRUDBIT-UHFFFAOYSA-N 251.290 -0.427 50 20 CBGD Cc1cc(NNC(=O)[C@H]2CCN(C)C2)nc(N)n1 828367575 SGBJENRVZPJKJG-QMMMGPOBSA-N 250.306 -0.238 50 20 CBGD C[C@@H](NC(=S)NNC(=O)c1nccnc1N)C1CC1 855100451 BYGVAEPSWDDDCN-ZCFIWIBFSA-N 280.357 -0.034 50 20 CBGD COc1cnc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 861066130 GGHPNICQJOZXFE-YFKPBYRVSA-N 299.312 -0.417 50 20 CBGD O=C(NNC(=O)[C@H]1CCOC(=O)N1)OCC(F)(F)F 862216068 REWRXPJXWXXKLI-SCSAIBSYSA-N 285.178 -0.195 50 20 CBGD C[C@H](NNC(=O)CN1CCOCC1)C(F)(F)F 862315218 ARILFTAORQEHIJ-ZETCQYMHSA-N 255.240 -0.110 50 20 CBGD CC(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862457616 MKYHHEURZNQVON-LLVKDONJSA-N 289.291 -0.071 50 20 CBGD Cc1csc(C(=O)NNC(=O)[C@H]2CC(=O)N2)c1 862479967 IRZIRMOTQLKRSO-ZCFIWIBFSA-N 253.283 -0.294 50 20 CBGD O=C(NOC[C@H]1CCOC1)c1cccc(B(O)O)c1 863879848 DRYDAMAHPQXRDH-VIFPVBQESA-N 265.074 -0.936 50 20 CBGD COC(=O)CN(C(=O)c1cc(B(O)O)ccc1F)C1CC1 863880972 INYQLQZHPWVWKV-UHFFFAOYSA-N 295.075 -0.717 50 20 CBGD CCC(O)(CC)CN(C)C(=O)c1cccc(B(O)O)c1 863890765 ROQJSXAESOJSLV-UHFFFAOYSA-N 279.145 -0.011 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cn(C)nc1-c1cnn(C)c1 910160184 MBADAPRCLRHWHF-SECBINFHSA-N 292.343 -0.222 50 20 CBGD COc1cccc(C(=O)NCC(=O)NN(C)C[C@H](C)O)c1 910183381 PVYDTNFJZLJQHU-JTQLQIEISA-N 295.339 -0.231 50 20 CBGD C[C@@H](NNC(=O)[C@@H]1OCCN(C)C1=O)C(F)(F)F 912898806 QYYCMBHAJFNSGV-RITPCOANSA-N 269.223 -0.585 50 20 CBGD C[C@@H]1COC[C@H]1NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 925994983 WMBIDTWOWLUCSV-KKZNHRDASA-N 291.373 -0.598 50 20 CBGD CNC(=S)N(C)NC(=O)CSc1cccc[n+]1[O-] 1118712879 HKMAQIQSASPRDP-UHFFFAOYSA-N 286.382 -0.121 50 20 CBGD Cc1nc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)co1 1118885197 WTMYDSITQXINMI-ZCFIWIBFSA-N 252.230 -0.977 50 20 CBGD Cc1ncc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C)n1 1118968784 FVKFAMRGGODFLQ-VIFPVBQESA-N 277.284 -0.867 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCc1cccc(OC)c1 1252439495 YTFNUJDHQIIMKS-UHFFFAOYSA-N 295.295 -0.259 50 20 CBGD CNC(=O)NNC(=O)Cc1csc(N2CCOCC2)n1 1256738556 GJTDJWNIGUUNMQ-UHFFFAOYSA-N 299.356 -0.518 50 20 CBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cnn(C)c2)CCO1 1319961675 CITHJGHUWKFCQH-WPRPVWTQSA-N 281.316 -0.068 50 20 CBGD COc1cccc(NC(=O)C(=O)NNC(=O)CCO)c1F 1320346036 VYSBVESXJBTZIG-UHFFFAOYSA-N 299.258 -0.697 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cn1 1321494334 PVGYRLHCSYEPQR-UHFFFAOYSA-N 262.269 -0.570 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CC1(Cl)Cl 1322253722 NGNRQRMBZCIBLV-BYPYZUCNSA-N 284.099 -0.316 50 20 CBGD Cn1cnnc1COCC(=O)NNC(=O)c1ccccc1 1326426258 JWVTVNXJTHVBHY-UHFFFAOYSA-N 289.295 -0.207 50 20 CBGD COC(=O)C(=O)NN=Cc1cnn(CC(F)F)c1 1327778367 RLMJRJHCQRIFOJ-UHFFFAOYSA-N 260.200 -0.229 50 20 CBGD C[C@H](OC[C@H]1CCCO1)C(=O)NNc1cnnn1C 1327873622 ILAVKFFQABHGIL-DTWKUNHWSA-N 269.305 -0.158 50 20 CBGD CCn1cnc(C(=O)NNc2nccn(C)c2=O)c1 1329572139 ODJUHVMLELDARA-UHFFFAOYSA-N 262.273 -0.246 50 20 CBGD C[C@H](N)CNC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br 1331385276 BGHTVOGCLBMQKX-MHYGZLNHSA-N 292.177 -0.261 50 20 CBGD COC[C@@H](C)NC(=O)NNC(=O)C1CCOCC1 1331940824 XFCVNAVVCPMMNW-MRVPVSSYSA-N 259.306 -0.222 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCCS(=O)(=O)C1 1334201762 ICMNYTGNHIGONB-BDAKNGLRSA-N 264.347 -0.845 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@@H]2C[C@H]3C=C[C@H]2C3)N1 1335583426 QPEMEAWGUDEAPJ-XWLWVQCSSA-N 292.339 -0.192 50 20 CBGD CC(C)NC(=S)NNC(=O)/C=C1\SCC(=O)N1C 1335956769 TZLDIHUABLDJHV-WTKPLQERSA-N 288.398 -0.063 50 20 CBGD CN1CCCC[C@H]1CNC(=O)NNC(=O)C1CCNCC1 1338782621 UUCVCMUWWONWQJ-LBPRGKRZSA-N 297.403 -0.199 50 20 CBGD CN1C[C@@H](NC(=O)NNC(=O)C2CCCC2)CC1=O 1340216630 BOMXATIMYFLQAH-VIFPVBQESA-N 268.317 -0.262 50 20 CBGD C[C@]1(CNC(=O)[C@H](N)CO)C[C@H]1Br 1354355803 BVSOJKUUQVFZBC-ATRFCDNQSA-N 251.124 -0.404 50 20 CBGD N[C@H](Cc1ccccc1)C(=O)NNC(=O)c1cnsn1 1580135523 MLINLGRACMWMQO-SECBINFHSA-N 291.336 -0.131 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cc(O)cc(-c2nn[nH]n2)c1 1590000399 MYSAAAPAKSFNEZ-ZETCQYMHSA-N 292.299 -0.470 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)N2CCOC[C@H]2C(=O)O)cn1 1600945626 IGGZOBORLCFUHA-INJWIWPUSA-N 290.279 -0.361 50 20 CBGD O=C(NCCOc1cccc(F)c1)NNC(=O)C(=O)O 1601506281 JWUODVHOCRPHGU-UHFFFAOYSA-N 285.231 -0.381 50 20 CBGD COc1nccnc1NNC(=O)[C@](C)(OC)C(=O)O 1604911542 DLDCXJZYKKYZIX-JTQLQIEISA-N 270.245 -0.582 50 20 CBGD CNC(=O)NNC(=O)Cn1c(C)c(C)sc1=O 48950896 LYBPDMKKOZGSKH-UHFFFAOYSA-N 258.303 -0.513 50 20 CBGD O=C(Cn1cccnc1=O)NNC(=O)NC1CCCC1 49430910 XKHJOZVGCQAFED-UHFFFAOYSA-N 279.300 -0.484 50 20 CBGD CC(=O)NNC(=O)COc1ccccc1-c1nnn[nH]1 95132974 GCQSYRYFELGNIH-UHFFFAOYSA-N 276.256 -0.587 50 20 CBGD CN(NC(=O)CSc1nnc(S)s1)C(N)=O 272228783 VIRHTEDPFHLMSW-UHFFFAOYSA-N 279.372 -0.039 50 20 CBGD CC(C)(C)C(=O)NNC(=O)c1cccn2c(=O)[nH]nc12 272719915 FDDKONZXRHJQFM-UHFFFAOYSA-N 277.284 -0.170 50 20 CBGD COc1nccnc1NNC(=O)CCN1C(=O)CCC1=O 274141552 XHLIFOYMJURKHX-UHFFFAOYSA-N 293.283 -0.533 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)c2cccc(C)n2)C1 279781331 ISOFCNPEWGYKSX-UHFFFAOYSA-N 276.296 -0.371 50 20 CBGD CNC(=O)NNC(=O)C[C@H]1Oc2ccccc2NC1=O 299100838 DDXZBPBSBZIGLZ-SECBINFHSA-N 278.268 -0.264 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1CCc2nccn2C1 370407520 QLLPYYAACYDTHD-JTQLQIEISA-N 295.343 -0.188 50 20 CBGD O=C(CNS(=O)(=O)CBr)NCC(F)F 393656371 JZKLAPWUDUBNBK-UHFFFAOYSA-N 295.105 -0.361 50 20 CBGD CCOC(=O)NNC(=O)C(C)(C)NS(C)(=O)=O 491847101 LAUAXWBEMQJEKA-UHFFFAOYSA-N 267.307 -0.909 50 20 CBGD C[C@](C#N)(NC(=O)COc1ccc(B(O)O)cc1)C1CC1 584909462 LTYKIJLNEZGJQS-CQSZACIVSA-N 288.112 -0.446 50 20 CBGD CCNC(=O)CCCC(=O)Nc1cccc(B(O)O)c1 584910168 NFVNFFGMJQZGRU-UHFFFAOYSA-N 278.117 -0.389 50 20 CBGD C[C@H](CNC(=O)c1ccc(B(O)O)cc1)Cn1cccn1 584930850 SXNMWXCERCINEO-LLVKDONJSA-N 287.128 -0.371 50 20 CBGD N#C[C@]1(NC(=O)c2cccc(B(O)O)c2)CCSC1 584935962 ARGYEHUYWFBSMC-GFCCVEGCSA-N 276.126 -0.505 50 20 CBGD COC1(CNC(=O)c2ccc(B(O)O)c(F)c2)CCC1 584972276 RXQLGNRHWIBLCS-UHFFFAOYSA-N 281.092 -0.196 50 20 CBGD CO[C@@H](C)CNC(=O)c1cc(B(O)O)ccc1F 584978982 HLYXKEIASIQSIN-ZETCQYMHSA-N 255.054 -0.730 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@H]1CO 584981191 UBZNHLUYNZVUQV-KOLCDFICSA-N 263.102 -0.933 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@](F)(CO)C1 584990097 OMYHFXAAYGFLGC-CYBMUJFWSA-N 299.082 -0.558 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@H](CO)CC1 584994155 CXPZYPDYQXZAFY-JTQLQIEISA-N 295.119 -0.260 50 20 CBGD CCCNC(=O)CCNCc1ccc(B(O)O)cc1 585018988 YSCGXCSICCGKEV-UHFFFAOYSA-N 264.134 -0.628 50 20 CBGD CCc1nc([C@H](C)NCc2ccc(B(O)O)cc2)n[nH]1 585033394 CDFNQCFOTLCZAV-VIFPVBQESA-N 274.133 -0.102 50 20 CBGD COCC[C@H](COC)NCc1ccc(B(O)O)cc1F 585040733 HSKUFVWSCDCKIV-GFCCVEGCSA-N 285.124 -0.353 50 20 CBGD CC[C@H](NCc1ccc(B(O)O)cc1F)[C@@H](C)O 585044547 MKTIQFMJQWYHDA-PELKAZGASA-N 255.098 -0.246 50 20 CBGD CO[C@@H](CNCc1ccc(B(O)O)o1)[C@H]1CCOC1 585045143 CHVLEWNCQUJZTA-ONGXEEELSA-N 269.106 -0.900 50 20 CBGD Cc1cc(C(=O)NNC(=O)N2CCOCC2)ncn1 758871096 ZEDYYISLEIBDSZ-UHFFFAOYSA-N 265.273 -0.528 50 20 CBGD CO[C@@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(C)C 769803851 ZRYXUSRDTIAHRC-RKDXNWHRSA-N 292.357 -0.761 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H](C)[C@H]1CN(C)CCO1 770436885 BKRMBZILCKDTFX-NXEZZACHSA-N 288.348 -0.928 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cnn(C)c1 771913342 UYLYSJXRGRHACT-ZETCQYMHSA-N 268.273 -0.477 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCc2n[nH]cc2C1 773517979 SNIFCIHNVJBSHP-MRVPVSSYSA-N 265.317 -0.286 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)C[C@@H](O)C(F)(F)F 774771212 LYZNAUBGWDZXDK-NKWVEPMBSA-N 285.266 -0.213 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)COCc1ccccc1 780947397 KYSHHWQGGVPDND-UHFFFAOYSA-N 293.323 -0.123 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1ccc(OC)cn1 781517808 CLKBHKSLPXMDGF-UHFFFAOYSA-N 274.302 -0.918 50 20 CBGD CC(C)(O)CCC(=O)NNC(=O)CNC(=O)c1ccco1 787291622 VLESAKIPZBNZGS-UHFFFAOYSA-N 297.311 -0.292 50 20 CBGD CC(C)(C(N)=O)C(=O)NNC(=O)NCC(F)(F)F 798313355 FTSYQVXEQGMVHJ-UHFFFAOYSA-N 270.211 -0.609 50 20 CBGD CCN(CC)CC(=O)NNC(=O)N=c1cc[nH]cc1 802024484 POHBJTOAEFQVTM-UHFFFAOYSA-N 265.317 -0.002 50 20 CBGD COC[C@H](C)[C@@H](C)C(=O)NNC(=O)C(=O)NC(C)C 812532865 JJLXDNRYBAPMSS-DTWKUNHWSA-N 273.333 -0.423 50 20 CBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=O)C(C)(C)C 813411741 BAZXBIFFHYHSIK-QMMMGPOBSA-N 273.333 -0.687 50 20 CBGD CC(C)(C)C(=O)NNC(=O)C1=NN2CCCN=C2N1 822244819 ORHPGWBYNSOZPI-UHFFFAOYSA-N 266.305 -0.842 50 20 CBGD C[C@H](CO)N(C)NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 823993589 SZLGPPZZKGYJRV-MXWKQRLJSA-N 297.355 -0.495 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cccc2nccn12 825708399 HHOXGWCOGLXCQL-UHFFFAOYSA-N 261.285 -0.343 50 20 CBGD O=C(NN=c1cc[nH]cc1)c1ccc(-c2nn[nH]n2)[nH]1 826449548 YIPOBXLZNDSNBR-UHFFFAOYSA-N 270.256 -0.231 50 20 CBGD COCCCOCCC(=O)NNC(=O)c1c[nH]nc1C 826755374 WHVGREVCAAHHRI-UHFFFAOYSA-N 284.316 -0.078 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)Cc1nonc1C 845454932 KUMAXGDVYJOBOL-UHFFFAOYSA-N 264.245 -0.587 50 20 CBGD C=C(C)CONC(=O)NNC(=O)C(=O)N1CCCC1 845594642 PRKFPZIUMRGWGR-UHFFFAOYSA-N 270.289 -0.553 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)[C@H](O)C1CC1 847116901 SRZGHAFZNWNSLP-RXMQYKEDSA-N 255.196 -0.350 50 20 CBGD COCCCNC(=S)N(C)NC(=O)CN(C)C 854281288 SQESBLIJHMQCRS-UHFFFAOYSA-N 262.379 -0.578 50 20 CBGD CS/C=C\C(=O)NNC(=O)N1CCN(C)CC1 854378839 DWAQRDAVMUBGGQ-BAQGIRSFSA-N 258.347 -0.149 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)Cc1n[nH]c(C)n1 854388412 JPVUEFASJRQHOS-UHFFFAOYSA-N 299.331 -0.408 50 20 CBGD CCOCCO[C@@H](C)C(=O)NN(C)C(=S)NC 854925531 HQOXWFUHEXZVTD-QMMMGPOBSA-N 263.363 -0.105 50 20 CBGD CCCn1cc(C(=O)NNC(=O)c2cc[nH]n2)nn1 855358049 ZJHUUZLYJFTOML-UHFFFAOYSA-N 263.261 -0.514 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)OCC(F)(F)F 856025409 RCRHEODBYVHLQJ-UHFFFAOYSA-N 271.195 -0.216 50 20 CBGD COCC[C@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858171802 VBZQPUHCFSNGCK-YUMQZZPRSA-N 272.305 -0.980 50 20 CBGD COC(=O)COCCNC(=O)NNC(=O)CC(C)(C)C 858833456 KKJKJMVEYUWZME-UHFFFAOYSA-N 289.332 -0.057 50 20 CBGD CCOC(=O)N[C@H](C(=O)NNC(=O)c1cn[nH]c1)C(C)C 862475018 WCOAFMJRUZRUIG-VIFPVBQESA-N 297.315 -0.059 50 20 CBGD COC(=O)c1cc(CN2CC[C@@H](B(O)O)C2)cn1C 864233377 IQBLCTLWUMHZFU-SNVBAGLBSA-N 266.106 -0.140 50 20 CBGD C#CCN1CCC(C(=O)NNC(=O)c2cccnn2)CC1 882061035 VVWCXNGOPQGCGI-UHFFFAOYSA-N 287.323 -0.417 50 20 CBGD COCCCNC(=S)N(C)NC(=O)Cc1cnc[nH]1 899992386 CLODOPPMJYFORV-UHFFFAOYSA-N 285.373 -0.174 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@@H]1CC[C@@H]1C(N)=O 899997022 CUORATRAOGVCLP-NKWVEPMBSA-N 272.374 -0.208 50 20 CBGD Cc1cc(O)cc(=O)n1CC(=O)NN(C)C[C@@H](C)O 910165650 JJXFBWNTDBIKEF-SECBINFHSA-N 269.301 -0.794 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H](CF)C1 916101442 ZKRNRALZTHUUGY-SECBINFHSA-N 251.066 -0.202 50 20 CBGD CNC(=O)CCCNC(=O)NNC(=O)c1ccccc1O 918235662 QKHZGEHQTCATMT-UHFFFAOYSA-N 294.311 -0.138 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCc1ccccc1OC 1116182103 UOHAPGKDKWMIOO-UHFFFAOYSA-N 295.295 -0.259 50 20 CBGD O=C(CCl)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O 1116438080 BDVMCIKNBBCPJC-QUBYGPBYSA-N 259.693 -0.280 50 20 CBGD O=C1CC[C@@H](CC(=O)NNC(=O)c2cn[nH]c2)CN1 1118884675 NBKMCNDYCAGTLB-ZETCQYMHSA-N 265.273 -0.913 50 20 CBGD CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)c1cnn(C)c1 1121034746 FSJABFAEUCZKIN-UWVGGRQHSA-N 266.301 -0.004 50 20 CBGD CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1nccn1C 1253646283 BOWCRVNBNQDPHX-UHFFFAOYSA-N 290.283 -0.296 50 20 CBGD N#Cc1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c[nH]1 1254294007 FQODGGSULPVLCH-ZETCQYMHSA-N 296.308 -0.918 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cnc(C(C)C)nc1 1256408695 KPWFGKKVQIUTBF-UHFFFAOYSA-N 281.272 -0.074 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1cc(F)ccc1F 1319300559 YMVWTFQIVMZSKQ-UHFFFAOYSA-N 287.222 -0.032 50 20 CBGD Cn1cc(C(=O)NNC(=O)NOCc2cccnc2)cn1 1319439361 OKBDXTDDVULGRS-UHFFFAOYSA-N 290.283 -0.109 50 20 CBGD CCO/C=C(/C#N)C(=O)NCCN(C)CC(=O)OC 1319742374 IOHUBEDIRAXKNV-KTKRTIGZSA-N 269.301 -0.349 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNc1nc2ccccn2n1 1321852990 HBHSWVPBIYADQP-LURJTMIESA-N 263.261 -0.771 50 20 CBGD O=C1C[C@@H](C(=O)NNC(=O)c2ccncc2)CCN1 1322546165 BHIYXHYYGVUXBS-VIFPVBQESA-N 262.269 -0.631 50 20 CBGD Cn1cccc1C(=O)NNC(=O)Cc1nc2ncccn2n1 1323608988 ZDVDFQNTROGSSY-UHFFFAOYSA-N 299.294 -0.534 50 20 CBGD COC(=O)C(=O)NN[C@H](Cc1ccc(F)cc1)C(N)=O 1323716254 WWQUVQNHGZXNOL-SECBINFHSA-N 283.259 -0.984 50 20 CBGD C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNc1ncc(F)cn1 1325051081 ODYOPTQKKIDXGQ-IMTBSYHQSA-N 297.290 -0.666 50 20 CBGD O=C(/C=C/C1CCOCC1)NNC(=O)[C@@H]1CCC(=O)N1 1329077267 ASHNVJGTEWCBNG-GXTWCOJYSA-N 281.312 -0.605 50 20 CBGD Cc1csc(C(=O)NNC(=O)NCC(=O)NCC#N)c1 1329758574 IKVXHZIDRHGZFK-UHFFFAOYSA-N 295.324 -0.360 50 20 CBGD CO[C@@H](C(=O)NNC(=O)C1CCOCC1)c1cnn(C)c1 1338187647 MZJZUBXJAVJJAT-LLVKDONJSA-N 296.327 -0.318 50 20 CBGD CCn1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)n1 1346080140 FUCQCSFIXBECEL-UHFFFAOYSA-N 279.300 -0.714 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1NCc2n[nH]cc21 1576903060 FISRUXSDSKPERW-BYULHYEWSA-N 279.300 -0.874 50 20 CBGD CC[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)O 1593620755 DHSAGSSVUXYQDI-VIFPVBQESA-N 269.037 -0.902 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)O)c1 1599143045 LGMPSXQVMOZFLD-UHFFFAOYSA-N 295.251 -0.883 50 20 CBGD Cc1cnc(CNC(=O)NNC(=O)C(=O)O)s1 1600619432 OVYNLUHOCGCQAT-UHFFFAOYSA-N 258.259 -0.633 50 20 CBGD O=C(Cn1cncn1)NNc1ccc(C(=O)O)cn1 1601389807 VGEFTBJQOUDHFF-UHFFFAOYSA-N 262.229 -0.485 50 20 CBGD O=C(NNC(=O)[C@H]1CCCO1)N[C@H]1CC=C(C(=O)O)C1 1601556267 UYFSXWWCDOVXLF-DTWKUNHWSA-N 283.284 -0.331 50 20 CBGD O=C(O)CC[C@@H]1CC[C@H](C(=O)NNC(=O)c2cn[nH]c2)O1 1602035984 GUBXRTRUHKDGCL-DTWKUNHWSA-N 296.283 -0.417 50 20 CBGD CC(C)(C)[C@@H](C(=O)O)C(=O)NNC(=O)[C@H]1COCCO1 1602852795 QKJHUOLTNIAKEU-HTQZYQBOSA-N 288.300 -0.704 50 20 CBGD COC(=O)[C@H](CC(=O)O)NS(=O)(=O)CCCCl 1606326611 ZNSAJCVEXYPJPF-LURJTMIESA-N 287.721 -0.449 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)[C@H](CO)C(C)(C)C 134375616 LTMWWHFMLLCZKY-SNVBAGLBSA-N 271.361 -0.117 50 20 CBGD OB(O)c1ccccc1CN1CCO[C@H](S)C1 169986907 XUIZUYSAVLZFQR-LLVKDONJSA-N 253.132 -0.546 50 20 CBGD C[C@@H](C(=O)NN(C)C(N)=O)n1nnc(-c2ccccc2)n1 181094517 LBIFMRMOPFVTJB-QMMMGPOBSA-N 289.299 -0.057 50 20 CBGD CC(C)[C@H](O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 291476320 QALYPMFZMFOIJB-RYUDHWBXSA-N 294.307 -0.009 50 20 CBGD CC(C)[C@H](C(=O)Nc1cccc(B(O)O)c1)N(C)C 584909934 KZRSSFKPCYLRCZ-GFCCVEGCSA-N 264.134 -0.109 50 20 CBGD O=C(NC[C@H]1CCCC[C@@H]1O)c1ccc(B(O)O)c(F)c1 584951759 SHUXOVKEOKGWSX-MFKMUULPSA-N 295.119 -0.214 50 20 CBGD O=C(NCC1(CO)CCCC1)c1ccc(B(O)O)cc1 584978774 XEOZRTKQWGKQKE-UHFFFAOYSA-N 277.129 -0.351 50 20 CBGD CC1(C)COCN1C(=O)c1ccc(B(O)O)c(F)c1 584985704 QCLKWUGBVHJNFP-UHFFFAOYSA-N 267.065 -0.286 50 20 CBGD C[C@H]1C[C@@H](O)CN(C(=O)c2ccc(B(O)O)c(F)c2)C1 585001421 WCXCKTBSXFUVMD-WCBMZHEXSA-N 281.092 -0.652 50 20 CBGD COCC[C@@H](C)CNC(=O)c1ccc(B(O)O)c(F)c1 585002133 NLXVBGRSSNOBOD-SECBINFHSA-N 283.108 -0.092 50 20 CBGD O=S1(=O)CCC[C@H](CNCc2ccc(B(O)O)cc2)C1 585040439 KIIPOASYTSVOQF-GFCCVEGCSA-N 297.185 -0.719 50 20 CBGD CO[C@@H](CS(=O)(=O)N1CC[C@@H](B(O)O)C1)C(C)C 585055646 CKIXVICNTPFPEG-ZJUUUORDSA-N 279.167 -0.464 50 20 CBGD O=C(COc1ccccc1[N+](=O)[O-])NCB(O)O 585057129 MPRMZNAASFIBQI-UHFFFAOYSA-N 254.007 -0.898 50 20 CBGD NC(=O)C1(C(=O)NNc2nccnc2Cl)CC1 734261035 LGVGOOAGQKAGRR-UHFFFAOYSA-N 255.665 -0.161 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(C#N)o1 743438634 PWSZXLIHQABDBK-ZETCQYMHSA-N 284.297 -0.461 50 20 CBGD CN(CC(=O)NNC(=O)CO)c1nc2ccccc2s1 753438398 DNAKEDYEWMWJIH-UHFFFAOYSA-N 294.336 -0.128 50 20 CBGD COCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)C1CC1 754258086 HCIIFPIJTCJOMV-ZETCQYMHSA-N 277.346 -0.547 50 20 CBGD CCOCC(=O)NNC(=O)Nc1ccn(CCN(C)C)n1 756765556 PMRCQGNJSYWCOO-UHFFFAOYSA-N 298.347 -0.366 50 20 CBGD COC(=O)C1(C(=O)NNC(=O)c2cnn(C)c2)CC1 766506294 PRXXWSAIPDMCRO-UHFFFAOYSA-N 266.257 -0.866 50 20 CBGD O=C(Cn1cncn1)NN=c1cc[nH]cc1Cl 768444684 TZUMYMWKKKEUAK-UHFFFAOYSA-N 252.665 -0.108 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNC(=S)NCCSC 770247912 OOPDPTPZBMZUSK-ZETCQYMHSA-N 292.430 -0.241 50 20 CBGD C=C[C@@](C)(O)CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 792855056 NSDRISIBVJRYSF-ZYHUDNBSSA-N 290.385 -0.194 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CCNC(=O)C1 798305414 ZQUGOCMOBIHESP-ZETCQYMHSA-N 256.331 -0.806 50 20 CBGD COc1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)nn1C 802035653 GXGALHMFLPOPEC-UHFFFAOYSA-N 290.283 -0.288 50 20 CBGD Cn1cnc(C(=O)NNC(=O)COc2ccc(F)cc2)n1 810534840 BMUFGHKEQLJUJB-UHFFFAOYSA-N 293.258 -0.206 50 20 CBGD O=Cc1c[nH]c(C(=O)NNC(=O)N2CCOCC2)c1 815146713 IHLMQEWKPHYUFO-UHFFFAOYSA-N 266.257 -0.486 50 20 CBGD O=C(CN1CCC[C@@H](O)CC1)NNC(=O)C1CC1 815299601 JDZCVKADJNRHMZ-SNVBAGLBSA-N 255.318 -0.609 50 20 CBGD CN(C)CC(=O)NN=C1CNC(=O)c2ccccc21 817326825 XNRPQLYVECTCQU-UHFFFAOYSA-N 260.297 -0.188 50 20 CBGD O=C(NCc1ccco1)NNC(=O)C1(n2cnnn2)CC1 823793684 RETQIAXQMJCNQE-UHFFFAOYSA-N 291.271 -0.714 50 20 CBGD COC[C@](C)(O)C(=O)NNc1cccc(-c2nn[nH]n2)c1 826148585 LVIXHNXEGKDPOQ-LBPRGKRZSA-N 292.299 -0.293 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H]2NCC[C@H]2C1 843386987 MWWNVJIRIMCZPK-GARJFASQSA-N 268.361 -0.384 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ncn(C)n1 843659277 XKVLSEFMPLCNBY-RQJHMYQMSA-N 253.262 -0.999 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1csnn1 843971592 CQCUEOOQKLYJJJ-NTSWFWBYSA-N 256.287 -0.276 50 20 CBGD O=C(C[C@H]1COCCN1)NNC(=O)c1ccccc1 844204994 STLLOYDGNWMFOT-NSHDSACASA-N 263.297 -0.174 50 20 CBGD CC[C@H](C#N)C(=O)NNC(=O)C(=O)N1CCCC1 845354074 XFVARPILUGAARD-MRVPVSSYSA-N 252.274 -0.694 50 20 CBGD C=C[C@H](CO)NC(=O)NNC(=O)Cc1cccnc1 852060538 VPAORCYRTGJWLL-SNVBAGLBSA-N 264.285 -0.499 50 20 CBGD C=CCNC(=S)NNC(=O)C[C@H]1CCC(=O)N1C 854186116 SYUNERXKKOPYTG-MRVPVSSYSA-N 270.358 -0.321 50 20 CBGD COC(=O)NCC(=O)NNC(=S)N[C@H](C)C1CC1 855102752 MKHQCYSMIFYKON-ZCFIWIBFSA-N 274.346 -0.364 50 20 CBGD Cc1nn(CC(=O)NN[C@H](C)C(F)(F)F)c(=O)n1C 862322610 ODXHCWSNPMPMQH-RXMQYKEDSA-N 281.238 -0.538 50 20 CBGD CCCN1CCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862453738 NBQDBCOMLSWLEV-VHSXEESVSA-N 282.344 -0.713 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cnc1F 862462878 ZSBJYPLLNACPEQ-QMMMGPOBSA-N 280.259 -0.431 50 20 CBGD Cc1cc(=NNC(=O)CCS(C)(=O)=O)cc[nH]1 862508929 AMVQKLFPNLRGQY-UHFFFAOYSA-N 257.315 -0.310 50 20 CBGD CC[C@H](CS(=O)(=O)NNC(=O)c1cn[nH]c1)OC 863413329 FXHFGBCRRRAEPK-MRVPVSSYSA-N 276.318 -0.601 50 20 CBGD CO[C@@H](CNC(=O)c1ccc(B(O)O)cc1)C(F)(F)F 865851358 LXSUGPIQOPUFRG-VIFPVBQESA-N 291.034 -0.327 50 20 CBGD COCCOCC(=O)NN=C1C[C@H](C)n2ncnc21 872400591 VNWWUJBOTKNNTF-QMMMGPOBSA-N 267.289 -0.274 50 20 CBGD Cn1nc(C2CC2)cc1S(=O)(=O)N1CC[C@H](B(O)O)C1 899571158 VRWYPFFUOUNSPJ-VIFPVBQESA-N 299.161 -0.465 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@]12CCC(=O)N1CCS2 910175821 VCQMONBMOQXIKQ-LDYMZIIASA-N 273.358 -0.604 50 20 CBGD COC(=O)NNS(=O)(=O)c1cccc2c1COC2=O 918726403 MLEJEERKWJQHLA-UHFFFAOYSA-N 286.265 -0.094 50 20 CBGD COc1nccnc1NNC(=O)c1cccc[n+]1[O-] 1117941756 LLKVRERCBHCBRW-UHFFFAOYSA-N 261.241 -0.125 50 20 CBGD C[C@H](C(=O)NNC(=O)CS(C)(=O)=O)C(F)(F)F 1118895105 HDSAONYRDDIOED-SCSAIBSYSA-N 276.236 -0.623 50 20 CBGD CCN(CCO)NC(=O)CCCS(C)(=O)=O 1119047998 QKJOVJLOPAIQDF-UHFFFAOYSA-N 252.336 -0.843 50 20 CBGD Cn1nc2c(c1C(=O)N1CC[C@@H](B(O)O)C1)CCC2 1119539425 FGHWVSRTAYAQRN-MRVPVSSYSA-N 263.106 -0.402 50 20 CBGD O=C(NNc1ncnc2[nH]cnc12)c1cnns1 1318779663 WWKRBGDDXHZGAU-UHFFFAOYSA-N 262.258 -0.039 50 20 CBGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)Cc1ccncc1 1319036670 UALVEENFYYHXBD-JTQLQIEISA-N 291.311 -0.685 50 20 CBGD CCn1nc(C)c(NC(=O)C(=O)NNC(C)=O)c1C 1320234581 IEZOLAYFKBEOPO-UHFFFAOYSA-N 267.289 -0.374 50 20 CBGD CCOCC(=O)NNC(=O)NCCc1nnc(C)s1 1325996994 XMUKAZYFBAWHRW-UHFFFAOYSA-N 287.345 -0.244 50 20 CBGD CC(C)(O)C(=O)NNC(=O)/C=C\c1ccc(C(N)=O)o1 1328290008 YSBFHUZAQJYOJE-XQRVVYSFSA-N 281.268 -0.690 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1cnccn1 1329068464 VDDYMGTWCBDMQY-UHFFFAOYSA-N 256.287 -0.639 50 20 CBGD Cn1cc(C(=O)NNC(=O)C[C@H]2CCCC(=O)N2)cn1 1329802558 YXVCKFLOFDDGTF-SECBINFHSA-N 279.300 -0.760 50 20 CBGD COC(=O)N(C)NC(=O)c1ccoc1CC(N)=O 1341210389 JKKYLVHWLPFTKS-UHFFFAOYSA-N 255.230 -0.350 50 20 CBGD Cc1c(C(=O)NNC(=O)c2cnsn2)cc(CN)n1C 1579526368 JXSAQRVESDGOBG-UHFFFAOYSA-N 294.340 -0.281 50 20 CBGD O=C(NNC(=O)[C@@H]1NCC[C@H]2CCCC[C@@H]21)c1cnn[nH]1 1580736533 WHMZXTGQNYGDMA-WCABBAIRSA-N 292.343 -0.266 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CO[C@H](CCC(=O)O)C1 1593797451 IRDXBUSEAKIBAW-HTQZYQBOSA-N 289.357 -0.276 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 1593911395 KISDRKQZXWHXPN-SECBINFHSA-N 296.235 -0.724 50 20 CBGD Cc1nnc(NNC(=O)[C@@H]2CC[C@H]2C(=O)O)nc1O 1594492603 GPPBXAOAQFLUMO-PHDIDXHHSA-N 267.245 -0.560 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1C[C@H]1C(=O)O 1594646440 XPVWYLFHBDXDMO-OOJXKGFFSA-N 256.258 -0.721 50 20 CBGD O=C(O)C1=NO[C@@H](C(=O)NNc2ncccn2)C1 1594889318 KERHMNAMBDFPEF-ZCFIWIBFSA-N 251.202 -0.851 50 20 CBGD Cc1nnc(NNC(=O)Cc2ccc(C(=O)O)nc2)n1C 1600798643 QJKCUZSOEBEWHQ-UHFFFAOYSA-N 290.283 -0.097 50 20 CBGD O=C(O)C[C@@H]1COCCN1S(=O)(=O)CCl 1601965478 PEKJACYRHDWXTD-ZCFIWIBFSA-N 257.695 -0.312 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CCC[C@@H](C(=O)O)C2)N1 1602637719 FADROUVSADEQDO-DJLDLDEBSA-N 297.311 -0.697 50 20 CBGD CO[C@@](C)(C(=O)O)C(=O)NNc1ncc(F)cn1 1604464500 TVVYNBDLQPVGQB-SECBINFHSA-N 258.209 -0.452 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)O)c1C 1609622115 BDUUBJMQVJUYFX-UHFFFAOYSA-N 279.252 -0.201 50 20 CBGD Cn1nc(C(=O)O)cc1C=NNC(=O)c1cn[nH]c1 1776093615 BAPLXJUBFDUHDV-UHFFFAOYSA-N 262.229 -0.395 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(OC)cc1 48961997 ISQSJYIYBXPLRS-UHFFFAOYSA-N 259.287 -0.183 50 20 CBGD CCN(CC)S(=O)(=O)NNC(=O)c1ccccn1 264882952 VDIQWGIYADTUEM-UHFFFAOYSA-N 272.330 -0.097 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc21 264932466 YNBSCFHNDAJTHN-SNVBAGLBSA-N 291.307 -0.165 50 20 CBGD CCS(=O)(=O)NCC(=O)NNc1ccncc1 272566149 OJOJGEGQTRSDOO-UHFFFAOYSA-N 258.303 -0.536 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1O 276254455 MNSMSVLIPZEFIO-UHFFFAOYSA-N 283.240 -0.168 50 20 CBGD CC(=O)NCC(=O)NNC(=O)COc1ccc(C)cc1 298608094 RWTRFBLBLUFXAE-UHFFFAOYSA-N 279.296 -0.343 50 20 CBGD CCOC(=O)NCC(=O)NNC(=O)N=c1cc[nH]cc1 495589613 PNCUDYYWQCDJPL-UHFFFAOYSA-N 281.272 -0.598 50 20 CBGD CCn1cc(CN(C)C(=O)c2cccc(B(O)O)c2)cn1 584947467 QUELPHPSACEIBT-UHFFFAOYSA-N 287.128 -0.145 50 20 CBGD CC[C@@H](NC(=O)c1ccc(B(O)O)cc1)c1nc[nH]n1 584951365 PTDLQYPRDMXEJQ-SNVBAGLBSA-N 274.089 -0.634 50 20 CBGD CSCC[C@@H](CO)NC(=O)c1cccc(B(O)O)c1 584963349 RZTZHDWDUACATA-NSHDSACASA-N 283.158 -0.790 50 20 CBGD CC1(C)[C@@H](O)C[C@H]1NC(=O)c1ccc(B(O)O)cc1 584973790 JTNFOROLZVBIBB-MNOVXSKESA-N 263.102 -0.744 50 20 CBGD CC1(C)CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@@H]1O 584983811 QNPUZRZMOZJVPE-NSHDSACASA-N 281.092 -0.652 50 20 CBGD C[C@H](N(C)C(=O)c1cccc(B(O)O)c1)C(C)(C)O 584997617 IJKICOWEUOXDID-VIFPVBQESA-N 265.118 -0.402 50 20 CBGD CCc1cc(CNCc2ccc(B(O)O)o2)on1 585016158 INGLNUNBISQHLY-UHFFFAOYSA-N 250.063 -0.200 50 20 CBGD CN1CCC[C@@H](CNCc2ccc(B(O)O)cc2F)C1 585023583 JQWMEHZRTPAOBJ-NSHDSACASA-N 280.152 -0.063 50 20 CBGD COCCn1cc(CNCc2ccccc2B(O)O)cn1 585041600 FDOAWWGAJPASTH-UHFFFAOYSA-N 289.144 -0.501 50 20 CBGD O=S(=O)(NCB(O)O)C1=Cc2ccccc2OC1 585059774 ZBQQLMHUAMMRJI-UHFFFAOYSA-N 269.087 -0.649 50 20 CBGD COc1ccccc1C(=O)NNC(=O)C1(C(N)=O)CC1 731640467 RFKCUTYTGYHITL-UHFFFAOYSA-N 277.280 -0.278 50 20 CBGD Cc1cc(NNC(=O)CN2CCCNC2=O)ncn1 734254012 GMORMNSYGIOVLZ-UHFFFAOYSA-N 264.289 -0.357 50 20 CBGD COc1ccc(C(=O)NNC(=O)N(C)C)cc1OCCO 746519927 ONVWWBNGGBXBJD-UHFFFAOYSA-N 297.311 -0.018 50 20 CBGD Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNC(=O)CO 753440582 VNBHETHQTWKRGW-LURJTMIESA-N 254.290 -0.340 50 20 CBGD COCCOc1ccc(CC(=O)NNC(=O)CO)cc1 760874015 RZGKDAOVCIZUSS-UHFFFAOYSA-N 282.296 -0.606 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1ccn(C)n1 772268360 XHASAKQNBQRRSW-QMMMGPOBSA-N 282.300 -0.548 50 20 CBGD COC[C@@H](C)n1ccc(NC(=O)NNC(=O)CO)n1 779934960 JPJQNVKUMLFZHM-SSDOTTSWSA-N 271.277 -0.765 50 20 CBGD Cn1cnn(CC(=O)NN=c2cc[nH]c3ccccc23)c1=O 781426005 JZGISHSIANIGMK-UHFFFAOYSA-N 298.306 -0.305 50 20 CBGD COc1ccc(F)c(C(=O)NNC(=O)CO)c1OC 788589602 CYANIUFRBSJFRH-UHFFFAOYSA-N 272.232 -0.404 50 20 CBGD CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)C(=O)NC(C)C 792853923 NYNWCIYRORVWHZ-BDAKNGLRSA-N 273.333 -0.281 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ccncn2)CC1 807380077 OIHIAYRAHIUSTM-UHFFFAOYSA-N 264.289 -0.922 50 20 CBGD CN1CCN(C(=O)NNC(=O)CC(C)(C)C#N)CC1 807383603 GCBKKOQVWGQEGW-UHFFFAOYSA-N 267.333 -0.086 50 20 CBGD CC1CCN(CC(=O)NNC(=O)c2ccnnc2)CC1 817693596 RSGDJASAMCQCNQ-UHFFFAOYSA-N 277.328 -0.031 50 20 CBGD CCCCNC(=O)NNC(=O)c1cc(O)n(C)n1 823763385 UUTFXZXMGSHHBV-UHFFFAOYSA-N 255.278 -0.130 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 823961486 FWMXHBNYJDRXAE-UHFFFAOYSA-N 296.287 -0.109 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCN(C)C1=O 843970295 DFIBZGOMNGUXLV-DJLDLDEBSA-N 269.301 -0.963 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCN1C 843971374 CEQZNPLODNJIHA-GUBZILKMSA-N 255.318 -0.347 50 20 CBGD CCO/C=C(\C#N)C(=O)N1C[C@@H](C(=O)OC)C[C@@H](O)C1 844120523 ZIRISTJLIINLJO-XEFMAMCISA-N 282.296 -0.187 50 20 CBGD C=C[C@H](O)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 854516043 GHLZSOCWHMLMTR-BDAKNGLRSA-N 262.331 -0.974 50 20 CBGD O=C(CCc1ccccc1O)NNC(=O)[C@@H]1CCNC1=O 857118174 FINAVRDOGLNQBJ-SNVBAGLBSA-N 291.307 -0.392 50 20 CBGD C=CC[C@H](CC)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858422541 VHFJELPCKVSCOI-IUCAKERBSA-N 268.317 -0.050 50 20 CBGD CN(Cc1ccco1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858691817 LWAQUMPAICSVIU-SECBINFHSA-N 280.284 -0.269 50 20 CBGD CC1(NC(=S)NNC(=O)[C@H]2CCC(=O)N2)CC1 863204438 YNYJUIIAOBNQRI-ZCFIWIBFSA-N 256.331 -0.687 50 20 CBGD CCCCOC(=O)CNC(=O)c1ccc(B(O)O)cc1 863874650 WBXSUGQNJJQMKG-UHFFFAOYSA-N 279.101 -0.561 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@]12CCOC2=O 863878414 FJVXBHOANZWRQW-CQSZACIVSA-N 289.096 -0.712 50 20 CBGD CNC(=O)[C@H](CC(C)C)NCc1ccccc1B(O)O 863888702 USBHXRHCJPLWKK-ZDUSSCGKSA-N 278.161 -0.383 50 20 CBGD O=C1NCC[C@]1(C(=O)NNc1nc[nH]n1)C1CCCC1 863917114 VGGBMERMNPVLHS-LBPRGKRZSA-N 278.316 -0.056 50 20 CBGD COC(=O)c1ccc(N2CC[C@@H](B(O)O)C2)c(C#N)n1 864233345 IMAAGEBTORSDHQ-MRVPVSSYSA-N 275.073 -0.207 50 20 CBGD CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)COCCOC 869905622 CKMGIPKQYRGIEG-GXSJLCMTSA-N 276.333 -0.142 50 20 CBGD COC(=O)N(C)NC(=O)NCCOCCN(C)C 875523675 FKLYGTUGNKJLCQ-UHFFFAOYSA-N 262.310 -0.523 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@H]2CN(C(C)=O)C[C@H]2C1 880311790 NQTXZFBDOPPROA-JLLWLGSASA-N 296.371 -0.658 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 910176177 ZPZQZVKWNQMDTB-YGOYTEALSA-N 287.385 -0.216 50 20 CBGD COCCCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 915827517 ATEGIWKEQNIWOX-JTQLQIEISA-N 278.374 -0.095 50 20 CBGD NC(=O)c1cc(C(=O)NNC(=O)c2ccncc2)c[nH]1 916724805 SECNVMDFOMZXBG-UHFFFAOYSA-N 273.252 -0.417 50 20 CBGD CNC(=O)CCCCC(=O)NNC(=O)c1cn[nH]c1 1118909217 IAGOTSXZTNSTBO-UHFFFAOYSA-N 267.289 -0.523 50 20 CBGD CCS(=O)(=O)CC(C)=NNC(=O)C(=O)OC 1252511637 UQQYNJVOVABBTR-UHFFFAOYSA-N 250.276 -0.914 50 20 CBGD COCC(=O)NN=C1CCCc2nc(O)c(C(N)=O)cc21 1257177608 VYAUODBXIFZZOM-UHFFFAOYSA-N 292.295 -0.311 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H](C)c1cnn(C)c1 1261880989 SXVHEEVABYJKJB-SECBINFHSA-N 284.316 -0.666 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@@H]1CO 1263119325 DPOKFIFIGSUVGR-YIZRAAEISA-N 257.290 -0.781 50 20 CBGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2ccccc2)cn1 1318668585 ZNHXVPUQTKSHCI-UHFFFAOYSA-N 287.279 -0.180 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCc1ccc(C)nc1 1318881652 BQSOKOYTTCATOR-UHFFFAOYSA-N 280.284 -0.564 50 20 CBGD COC(=O)NNC(=O)c1ccc(CS(N)(=O)=O)cc1 1320546420 MQRAKZYPTNGPFB-UHFFFAOYSA-N 287.297 -0.524 50 20 CBGD Cn1cc([C@H](CO)NCC(=O)NNC(=O)C(C)(C)C)cn1 1320753729 YWHBFIFXNVJMCU-JTQLQIEISA-N 297.359 -0.763 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccn(C(C)C)n1 1321783347 AMLUPMSQGXNPPG-UHFFFAOYSA-N 281.316 -0.250 50 20 CBGD O=C(NNC(=O)c1cccnc1)C(=O)N1CCCC1 1322188256 XDOVSVCLLXFNQF-UHFFFAOYSA-N 262.269 -0.535 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCc1ccncc1C 1322982733 GTFDYNARTPBHMA-UHFFFAOYSA-N 280.284 -0.564 50 20 CBGD N#Cc1ccc(NNC(=O)CC[C@@H]2NC(=O)NC2=O)cc1 1324271070 VDKBCJIBKVRQFO-JTQLQIEISA-N 287.279 -0.010 50 20 CBGD Cc1cccnc1NNC(=O)c1nnc(O)nc1O 1324516768 KTMPQTMVRXMFOY-UHFFFAOYSA-N 262.229 -0.257 50 20 CBGD C=CCNC(=S)NNC(=O)c1nnn(C)c1C 1325108825 XXRSUXDFJZRKHG-UHFFFAOYSA-N 254.319 -0.582 50 20 CBGD CN(C)C(=O)NNC(=O)COCc1ccncc1 1347478134 FOFUILXPQZOFOQ-UHFFFAOYSA-N 252.274 -0.099 50 20 CBGD CC(C)(N)CC(=O)NNC(=O)CNC(=O)c1cccnc1 1573483512 OMKOVZIOXVROKU-UHFFFAOYSA-N 293.327 -0.914 50 20 CBGD NCCCCCC(=O)NNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 1580292623 GUOMNFZFUHJDCK-MNOVXSKESA-N 298.387 -0.055 50 20 CBGD CC(=NNC(=O)NCC(=O)O)c1ccc(O)nn1 1589012385 JKWDPJJJMABEOC-UHFFFAOYSA-N 253.218 -0.710 50 20 CBGD C[C@]1(C(=O)NNC(=S)NCCCC(=O)O)CCCO1 1593754823 CNGRBTGNYNILLJ-LLVKDONJSA-N 289.357 -0.084 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@]2(C(=O)O)CCCO2)n1 1594058051 ZZWNAGXRNIYSKN-LBPRGKRZSA-N 296.283 -0.129 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CC=CC1)c1cccnn1 1594779627 VQMPFRLMPDZYIR-UHFFFAOYSA-N 276.252 -0.341 50 20 CBGD O=C1CC[C@@H](C(=O)NNc2ncccc2C(=O)O)N1 1595288125 WPOYQKBYLRWUHE-ZETCQYMHSA-N 264.241 -0.499 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)C(=O)O)CC1(C)OCCO1 1604178650 KSHPDNZZKGJAAD-SSDOTTSWSA-N 289.288 -0.809 50 20 CBGD Cn1cnn(CC(=O)NNc2ccccc2C(=O)O)c1=O 1608137277 DCYULDLCGQLKMU-UHFFFAOYSA-N 291.267 -0.577 50 20 CBGD C[C@]1(CNC(=O)NNC(=O)C(=O)O)CCO[C@@H]1C1CC1 1609821818 PMJFFOGFUJQAHU-PRHODGIISA-N 285.300 -0.393 50 20 CBGD CNC(=O)NNC(=O)CNC(=O)c1cc(F)cc(F)c1 57292341 FTGJDYAGSGIQNX-UHFFFAOYSA-N 286.238 -0.345 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)C(C)(C)C)C1 81257673 LNCCEHOMWUGZOI-VIFPVBQESA-N 257.334 -0.099 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C1=COCCO1 265887146 OOYLPIMADCILMY-UHFFFAOYSA-N 285.300 -0.673 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@H]1CCCSC1 267264616 DESBTMASIILKOQ-QMMMGPOBSA-N 286.357 -0.509 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)NCC(F)(F)F 270478912 PQOIXVDWTNCOQQ-BYPYZUCNSA-N 286.210 -0.376 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cc(C2CC2)[nH]n1 277987540 PFSAJFFHUDBLPT-UHFFFAOYSA-N 252.274 -0.181 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@@H]2CCCN2C2CC2)nn1 278692131 MCHQPRQCAQOPGF-JTQLQIEISA-N 290.327 -0.355 50 20 CBGD COC(=O)N(C)NC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O 286302490 JYVIYBWSIUNYEI-ZDUSSCGKSA-N 297.311 -0.363 50 20 CBGD CC(=O)NCCNC(=O)NNc1ncccc1F 286477592 QNXXSMYPEQFNDG-UHFFFAOYSA-N 255.253 -0.017 50 20 CBGD COC(=O)COCC(=O)NNc1ncccc1F 288689417 DHFLKFCRSDVMAD-UHFFFAOYSA-N 257.221 -0.147 50 20 CBGD CS[C@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 299557079 MLCXZGXZDILLLH-SSDOTTSWSA-N 259.331 -0.492 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H]1CCCS1(=O)=O 496796267 OKZCNQLFYZKKJV-LURJTMIESA-N 250.276 -0.707 50 20 CBGD CO[C@@H](C(=O)Nc1cccc(B(O)O)c1)C(C)C 584914158 QQBASHFRDNSUQD-LLVKDONJSA-N 251.091 -0.024 50 20 CBGD C[C@H]1[C@@H](C)N(C)CCN1C(=O)c1cccc(B(O)O)c1 584970210 MROVTCKQNAEWFC-MNOVXSKESA-N 276.145 -0.469 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC(CCCO)CC1 584974290 TVVUVCVNTWQCPX-UHFFFAOYSA-N 291.156 -0.009 50 20 CBGD CCN(CCCN(C)C)C(=O)c1ccc(B(O)O)c(F)c1 584980309 WBCKQEFWARONNM-UHFFFAOYSA-N 296.151 -0.081 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@](O)(C2CC2)C1 584983598 PXPMIBWJSQLEGA-AWEZNQCLSA-N 275.113 -0.647 50 20 CBGD C[C@@H]1[C@@H](N(C)C)CCN1C(=O)c1ccc(B(O)O)cc1 584993004 REYIHPSFEJKRPC-MFKMUULPSA-N 276.145 -0.469 50 20 CBGD Cc1cn2c(n1)CC[C@H](NCc1ccc(B(O)O)cc1)C2 585019739 HDKVQLSJMADEQW-AWEZNQCLSA-N 285.156 -0.024 50 20 CBGD CC(C)(CCCO)CNCc1ccc(B(O)O)o1 585035862 YSKZXFYRWSWVFI-UHFFFAOYSA-N 255.123 -0.152 50 20 CBGD CC(C)N1C[C@H](CNCc2cccc(B(O)O)c2)CC1=O 585042661 AZEGYDMTZGULFA-ZDUSSCGKSA-N 290.172 -0.287 50 20 CBGD COc1cc(C)c(S(=O)(=O)NCB(O)O)c(C)c1 585054412 LJLWUNYEHKBONA-UHFFFAOYSA-N 273.119 -0.398 50 20 CBGD CO[C@@H](C)CCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 726713550 GTKBVTGDFOJLGI-ONGXEEELSA-N 293.389 -0.208 50 20 CBGD O=C(CCCn1ccnc1)NNC(=O)N1CCOCC1 729348941 WJENHVMAGZFKJM-UHFFFAOYSA-N 281.316 -0.264 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCOC[C@@H]2CCCO2)cn1 735446185 BYXCULMMLZKKNO-NSHDSACASA-N 296.327 -0.233 50 20 CBGD CCCCO[C@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 748246227 VRBZRIMAYNGCSX-SNVBAGLBSA-N 285.344 -0.039 50 20 CBGD C=C(C)COCCNC(=O)NNC(=O)C(=O)N1CCCC1 762368865 KJYAWRZQFIDJRZ-UHFFFAOYSA-N 298.343 -0.468 50 20 CBGD C=CCOCC(=O)NNc1nccc(N2CCOCC2)n1 762854883 JQLQLRSRICZQBP-UHFFFAOYSA-N 293.327 -0.041 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)NC2)n[nH]1 768277340 FHYOILWGXYGBGA-SSDOTTSWSA-N 265.273 -0.995 50 20 CBGD COC(=O)COc1ccccc1C(C)=NNC(=O)C(N)=O 783787257 QBCAUOBZPGHENX-UHFFFAOYSA-N 293.279 -0.436 50 20 CBGD O=C(NCCn1cncn1)NNc1nc2ccccn2n1 790278270 YDELLNJUWWMFCF-UHFFFAOYSA-N 287.287 -0.353 50 20 CBGD O=C(NNc1cccnn1)[C@H]1COCCN1CC(F)F 806888733 RTLAVHIWBRAFRY-MRVPVSSYSA-N 287.270 -0.114 50 20 CBGD COC(=O)c1ccc(C=NNC(=O)C(=O)NC2CC2)n1C 814778109 QTHKNZAJYGJJBU-UHFFFAOYSA-N 292.295 -0.460 50 20 CBGD Cc1cnccc1CC(=O)NNC(=O)N1CCN(C)CC1 819721292 PPIKWANALUTNGO-UHFFFAOYSA-N 291.355 -0.079 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NN=C1CCN(CCO)CC1 842549809 RHAISVMESRVOAG-JQWIXIFHSA-N 269.345 -0.028 50 20 CBGD COC(=O)C12CC(C(=O)NNC(=O)c3cc(C)[nH]n3)(C1)C2 843842718 QWGMYQPBOFHNCN-UHFFFAOYSA-N 292.295 -0.178 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843974643 CMBBUPSJSUQZJO-HRDYMLBCSA-N 286.332 -0.604 50 20 CBGD COC/C(C)=C\C(=O)NNC(=O)C(=O)NC(C)C 845103440 PGOHKHZIVSDPIJ-YVMONPNESA-N 257.290 -0.749 50 20 CBGD COC(=O)c1cnn(CC(=O)NNC(=O)NC(C)C)c1 858866381 XBEGCXURYLDALU-UHFFFAOYSA-N 283.288 -0.592 50 20 CBGD C[C@@H](NNC(=O)[C@H]1CN(C)CCO1)C(F)(F)F 862311937 XDIGSWGGZXBLRI-RNFRBKRXSA-N 255.240 -0.111 50 20 CBGD C[C@H](NNC(=O)C(C)(C)NS(C)(=O)=O)C(F)(F)F 862314060 UPPYREHEAAJMKL-YFKPBYRVSA-N 291.295 -0.114 50 20 CBGD O=C(CC[C@@H]1CCCCO1)NNC(=O)[C@H]1CCC(=O)N1 862454669 IPZCIFBLMHQPTH-VHSXEESVSA-N 283.328 -0.238 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc3c(c2)COC3)N1 862455061 YUWCBGKVOBBKQS-LLVKDONJSA-N 289.291 -0.244 50 20 CBGD CC[C@@H](SC)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862457205 DALLRPUDNGXAQI-RNFRBKRXSA-N 259.331 -0.446 50 20 CBGD CCO/C=C(/C#N)C(=O)NCCN1CC[C@H](O)C1 863831740 NDWOHDZMYNMUOY-JUDLJHIGSA-N 253.302 -0.387 50 20 CBGD C#CCCN(CCOC)C(=O)c1cccc(B(O)O)c1 863884905 CBSJDYPDUTWUHD-UHFFFAOYSA-N 275.113 -0.522 50 20 CBGD CC(=O)NNC(=O)[C@@H]1COc2ccc(O)cc2O1 864427847 YKXFBBNLOUSOCK-JTQLQIEISA-N 252.226 -0.301 50 20 CBGD CNC(=S)N(C)NC(=O)c1cc(C(=O)OC)nn1C 868861601 UTJOTOKJCGFBRY-UHFFFAOYSA-N 285.329 -0.712 50 20 CBGD C[C@@H]1CCC(=O)CN1C(=O)c1cccc(B(O)O)c1 885071960 OOMXPADKMGYLSH-SECBINFHSA-N 261.086 -0.440 50 20 CBGD O=S(=O)(c1cnc2n1CCCC2)N1CC[C@H](B(O)O)C1 899571459 XWFVKFOYUNDIRG-VIFPVBQESA-N 299.161 -0.543 50 20 CBGD C#CCSCC(=O)NNC(=O)NCCCOC 900385701 XPRKLYHCWWJOMN-UHFFFAOYSA-N 259.331 -0.280 50 20 CBGD O=C1CN(CC(=O)NNc2cccc(F)c2F)CCN1 901168759 VTDZVEPYNMCDGH-UHFFFAOYSA-N 284.266 -0.160 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCCN1c1ncccn1 910139145 PMKCBQRUKGYSAD-QWRGUYRKSA-N 279.344 -0.211 50 20 CBGD C[C@H](O)CN(C)NC(=O)Cn1nnnc1-c1ccsc1 910146537 JINFFLUFEFHCLA-QMMMGPOBSA-N 296.356 -0.255 50 20 CBGD COC(=O)c1ccc(C(=O)NN(C)C[C@H](C)O)nc1 910173870 OMKZOTGYNICYKR-QMMMGPOBSA-N 267.285 -0.174 50 20 CBGD Cn1cc(Cl)cc1C(=O)NNC(=O)CS(C)(=O)=O 919683843 CIMAOJAVZRKWLL-UHFFFAOYSA-N 293.732 -0.516 50 20 CBGD O=C(NNC(=O)c1ccn2nnnc2c1)NC1CC1 1118572823 WGRZHQADBIFHSC-UHFFFAOYSA-N 261.245 -0.769 50 20 CBGD COCc1nc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cs1 1118908815 BVIVWOBWEWIBII-ZCFIWIBFSA-N 298.324 -0.671 50 20 CBGD NC(=O)N1CCC[C@H]1C(=O)NNc1cccnn1 1320192975 SEQAAEFBZVCBOM-ZETCQYMHSA-N 250.262 -0.537 50 20 CBGD NC(=O)c1ccc(C(=O)NNc2cccnn2)cn1 1320924550 LRTPDVIDJMATRI-UHFFFAOYSA-N 258.241 -0.273 50 20 CBGD O=C(NNC(=O)[C@H]1CCn2cncc2C1)c1cn[nH]c1 1329202003 UREOWWUGCWYHLS-QMMMGPOBSA-N 274.284 -0.370 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H]2CCSC2)N1 1331519457 JVMZCPUMWVSWQB-RQJHMYQMSA-N 272.330 -0.899 50 20 CBGD Cn1ncc(C(=O)NNC(=O)N=c2cc[nH]cc2)c1N 1344704704 FLSMCJUKQIEARG-UHFFFAOYSA-N 275.272 -0.714 50 20 CBGD N#CCCCC(=O)NNC(=O)C(=O)N1CCCC1 1347426681 XTQQMMHOHZXHBN-UHFFFAOYSA-N 252.274 -0.550 50 20 CBGD O=C(c1cnn(CC2CC2)c1)N1CC[C@@H](B(O)O)C1 1348490878 WHBDLUVEUUGDQA-LLVKDONJSA-N 263.106 -0.018 50 20 CBGD CO[C@@H]1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)[C@H](C)C1 1351352750 LZCRWLHFXWYWQB-OPRDCNLKSA-N 298.343 -0.495 50 20 CBGD Nc1cnnc(NNC(=O)[C@@H]2CCOC(=O)N2)c1Cl 1351500100 RZFUPERNFZWPEA-YFKPBYRVSA-N 286.679 -0.346 50 20 CBGD CON1CCC(=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1 1549314511 LQOZMRFFUFUULQ-STQMWFEESA-N 296.371 -0.021 50 20 CBGD Cc1cc(NNC(=O)[C@]2(C(=O)O)C[C@H]2C)nc(N)n1 1574343588 YVGRGXCTKOJCTP-GCXOYZPQSA-N 265.273 -0.079 50 20 CBGD O=C1CC[C@@H](C(=O)NNc2ncccc2C(=O)O)CN1 1574825150 MZRSHJPNOTUNLD-SSDOTTSWSA-N 278.268 -0.251 50 20 CBGD CC(C)(CCNC(=O)c1ccc(B(O)O)cc1)C(=O)O 1588775605 ZUAKHVUHQRROTQ-UHFFFAOYSA-N 279.101 -0.403 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)O 1590939881 BPHNJYCFVSUMTH-NHCYSSNCSA-N 297.355 -0.025 50 20 CBGD Cn1cc(C(=O)NNC(=O)CC(C)(C)CC(=O)O)nn1 1600931748 DYVQKKXBWCNXBP-UHFFFAOYSA-N 283.288 -0.533 50 20 CBGD O=C(NC[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21)NNC(=O)C(=O)O 1601478610 IEWASFJANSWJDU-PQFOHKHZSA-N 267.285 -0.307 50 20 CBGD CO[C@](C)(C(=O)O)C(=O)NNC(=S)N[C@@H](C)C1CC1 1604464136 KSILRCRZTWOQMT-KGFZYKRKSA-N 289.357 -0.230 50 20 CBGD O=C(O)CCCCC(=O)NNC(=O)[C@H]1CCCO1 1606142158 YSVXTOOXOMKULX-MRVPVSSYSA-N 258.274 -0.042 50 20 CBGD C[C@H](O)c1ccc(CNC(=O)NNC(=O)C(=O)O)cc1 1609791329 PGZMNZRQEVSSCY-ZETCQYMHSA-N 281.268 -0.345 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@@H]2COCCO2)n1 30683664 AYVBBNPUHZYPPJ-VIFPVBQESA-N 252.274 -0.048 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)c1cccc(C#N)c1 103403145 QOPOCNRLEGLZSG-QMMMGPOBSA-N 274.280 -0.156 50 20 CBGD CCNC(=O)NNC(=O)Cn1cc(C2CC2)nn1 132814308 HQRACNKUXUNKRM-UHFFFAOYSA-N 252.278 -0.494 50 20 CBGD O=C(CCc1ccco1)NNC(=O)C(=O)N1CCCC1 194791384 OIXAKWVSVNXMJJ-UHFFFAOYSA-N 279.296 -0.018 50 20 CBGD CC[C@@H](C(=O)NNC(=O)Cn1nc(C)cc1C)C(=O)OC 276670893 JHENGFPZVSFNMI-JTQLQIEISA-N 296.327 -0.153 50 20 CBGD CNC(=O)c1ccc(C(=O)NN(C)C(=O)OC)cn1 286487875 VTPAJHPSZDUKTD-UHFFFAOYSA-N 266.257 -0.216 50 20 CBGD CCOC(=O)NCC(=O)NNC(=O)c1ccc[nH]1 298446673 YVGLFJBQHKDVGC-UHFFFAOYSA-N 254.246 -0.478 50 20 CBGD COC(=O)NNC(=O)[C@@H]1CCCCS1(=O)=O 495540385 NBLZXIAHWLJNHE-LURJTMIESA-N 250.276 -0.659 50 20 CBGD CCN(CC)C(=O)CCNC(=O)c1cccc(B(O)O)c1 584932240 IVUMHSIDAZKFMI-UHFFFAOYSA-N 292.144 -0.645 50 20 CBGD C[C@@H](O)CCN(C)C(=O)c1cc(B(O)O)ccc1F 584957826 RZOFYQWVZKPEAW-MRVPVSSYSA-N 269.081 -0.652 50 20 CBGD CS[C@H](C)CNC(=O)c1ccc(B(O)O)cc1 584964812 JGGSTCZYLXSZSX-MRVPVSSYSA-N 253.132 -0.152 50 20 CBGD C[C@@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)CCO1 584969279 KRJQTPYMYXZJKS-BXKDBHETSA-N 263.102 -0.336 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H](O)C12CCCC2 584993016 RKDAUCYTJSNASV-ZDUSSCGKSA-N 289.140 -0.114 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1[C@H]2CC[C@H]1COC2 584997995 NJHMHACBTGOUBH-UWVGGRQHSA-N 279.076 -0.491 50 20 CBGD Cn1ccnc1[C@@H](NCc1ccc(B(O)O)o1)C1CC1 585040928 SHRPPCACXUNHJM-LBPRGKRZSA-N 275.117 -0.066 50 20 CBGD O=C(CC[C@H]1Cc2ccccc2NC1=O)NCB(O)O 585060145 ABRXYCFWOQJFIS-JTQLQIEISA-N 276.101 -0.294 50 20 CBGD CC(C)(C)C(=O)NNC(=S)NCCNS(C)(=O)=O 727077040 MZNGGNOVIULWPS-UHFFFAOYSA-N 296.418 -0.923 50 20 CBGD Cc1ccc(NC(=O)NNC(=O)O)cc1S(N)(=O)=O 738626948 DDICDQCUDHSJNB-UHFFFAOYSA-N 288.285 -0.053 50 20 CBGD O=C(CNC1(C(=O)O)CCCCC1)NNC(=O)C1CC1 739309856 UBZPCLMBJFVCBS-UHFFFAOYSA-N 283.328 -0.079 50 20 CBGD CCn1nccc1C=NNC(=O)N[C@H]1CCS(=O)(=O)C1 753697900 QSVUUQWYQXUUGK-VIFPVBQESA-N 299.356 -0.277 50 20 CBGD CCCC1(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC1 758031919 YWFXKUKFEOGVPR-QMMMGPOBSA-N 291.373 -0.348 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCO2 764300397 ZRQXDHJYAQXANH-UHFFFAOYSA-N 295.251 -0.852 50 20 CBGD CN(C)CCC(=O)NNC(=S)NCc1ccon1 764451692 IVAHAORIEMNUCD-UHFFFAOYSA-N 271.346 -0.378 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@](C)(O)C(C)C 771375247 RKILMRABBVPTBM-ZDUSSCGKSA-N 287.360 -0.154 50 20 CBGD CCOC(=O)/C(C#N)=C\NCC1CN(S(C)(=O)=O)C1 777401738 DEZNAIAUCZYYBK-POHAHGRESA-N 287.341 -0.562 50 20 CBGD COc1ccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)cn1 780209512 ZBDFZGRTPNEMPH-JTQLQIEISA-N 297.336 -0.025 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](O)C1CCCCC1 783522272 MRXUFGJLWXGKTE-JTQLQIEISA-N 285.344 -0.400 50 20 CBGD C=CCN1CC[C@@H](N(C)[C@@H](C)C(=O)NNC(=O)CC)C1=O 799177153 IPDNJFIFKKXLNW-WDEREUQCSA-N 296.371 -0.349 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)C[C@@H]1CCCN1C 817292972 XQVWOBFGPLHSAX-MNOVXSKESA-N 270.377 -0.042 50 20 CBGD CN(NC(=O)c1ccc(S(N)(=O)=O)o1)C1CC1 819645899 WAKQNHZHHBBCDY-UHFFFAOYSA-N 259.287 -0.334 50 20 CBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)C(C)(C)C 822245584 VVNSIYAESPHSJU-SSDOTTSWSA-N 279.362 -0.492 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H](c1cncn1C)N(C)C 823929442 YLVZQWWLUWUBHG-KOLCDFICSA-N 269.349 -0.633 50 20 CBGD Cc1nnc2ccc(C(=O)NN(C)[C@@H](C)CO)cn12 823939553 LTIQWDCVQFYXNR-QMMMGPOBSA-N 263.301 -0.005 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNc1cccc(-c2nn[nH]n2)c1 823988680 HWJDPTZWFBYHSV-ZETCQYMHSA-N 289.299 -0.166 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@H]1CCC(=O)N1C)C1CC1 824446605 OCCSCOQILIFTLJ-VXNVDRBHSA-N 284.385 -0.099 50 20 CBGD Nc1nccnc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1 826396710 IWCJJVYEJBONGI-UHFFFAOYSA-N 297.282 -0.004 50 20 CBGD CNC(=O)C[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 826922822 GEVWSJAJTUTBHC-DJLDLDEBSA-N 286.332 -0.734 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC1(CC(N)=O)CC1 826984338 FKPMKLPOYUXECL-DTWKUNHWSA-N 298.343 -0.603 50 20 CBGD CC1=NO[C@@H](C(=O)NNC(=O)C(=O)Nc2ccccn2)C1 830053288 SNGKUHDRVCBBKA-MRVPVSSYSA-N 291.267 -0.668 50 20 CBGD C[C@H]1CC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)CO1 842524853 IJMJJRAOTXKURX-YUMQZZPRSA-N 275.330 -0.363 50 20 CBGD CCC(CC)(CO)C(=O)NNC(=O)C(=O)N1CCCC1 847410266 BFBWFBICQVSYEF-UHFFFAOYSA-N 285.344 -0.445 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCC=CO2)CC1 854379281 VMMBHEWUXIHGCU-JTQLQIEISA-N 268.317 -0.333 50 20 CBGD CC(C)O[C@@H]1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858702198 DPSAHACOGJJCTC-ZJUUUORDSA-N 298.343 -0.495 50 20 CBGD CC(=O)OCC(C)(C)CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862462101 UNRSAGCVHHCCRS-VIFPVBQESA-N 299.327 -0.608 50 20 CBGD C[C@@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(C)(F)F 862462801 SNRWRFDRPXKHOC-WDSKDSINSA-N 263.244 -0.296 50 20 CBGD Cc1cc(=NNC(=O)C(C)(C)NS(C)(=O)=O)cc[nH]1 862514060 ZMWMMYMZPDUPPP-UHFFFAOYSA-N 286.357 -0.417 50 20 CBGD CC(C)(C)OC(=O)CNC(=O)c1cc(B(O)O)ccc1F 863873169 ZNBDMKMHMNUSFZ-UHFFFAOYSA-N 297.091 -0.423 50 20 CBGD CCCN(CC(=O)OC)C(=O)c1cccc(B(O)O)c1 863880422 ZAXSGNRMSKNIDX-UHFFFAOYSA-N 279.101 -0.608 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H]1CCCCN(C)C1=O 874213858 HMMJGUVEMDOYFF-VIFPVBQESA-N 270.333 -0.015 50 20 CBGD C[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)c1cnccn1 908055093 KQKNKDNMPFHXLD-SNVBAGLBSA-N 292.343 -0.432 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CC1(CS(C)(=O)=O)CC1 910163052 KHXISGWIYMUZDY-SECBINFHSA-N 278.374 -0.455 50 20 CBGD O=C(CN1CCCNC1=O)NNC(=O)C1CCCC1 915259354 BPFHPVIPOMDRGK-UHFFFAOYSA-N 268.317 -0.261 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCNC(C)(C)C)cn1 933088385 LUXYWHCMJRNDCY-UHFFFAOYSA-N 267.333 -0.041 50 20 CBGD O=C(NN=Cc1cnc2n1CCC2)[C@H]1CCS(=O)(=O)C1 1118522781 CENUBAFDYWQRRZ-VIFPVBQESA-N 296.352 -0.286 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CCOC3(CCC3)C2)N1 1119492230 QSLNFRKIVNCNEX-VHSXEESVSA-N 295.339 -0.238 50 20 CBGD CCCNC(=S)NNC(=O)CCN1CCOCC1 1317701474 NYBPMMYVJRPEDU-UHFFFAOYSA-N 274.390 -0.386 50 20 CBGD C[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1317913456 LKQBWJHMRJYRCL-PRJMDXOYSA-N 260.315 -0.776 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NC1CCOCC1 1318936536 XDVPDEUTAMNRFL-SECBINFHSA-N 289.332 -0.453 50 20 CBGD CN(CCO)CC(=O)NNC(=O)c1ccc(C#N)cc1 1319602032 ZLTLNMZFNNHPGD-UHFFFAOYSA-N 276.296 -0.757 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)Cc2ccncc2)C1=O 1320425891 GGBWKCLEFWPREE-SNVBAGLBSA-N 276.296 -0.750 50 20 CBGD CNC(=O)NNC(=O)c1cc(S(=O)(=O)NC)cs1 1322310982 NIFKBAOBWGVSDC-UHFFFAOYSA-N 292.342 -0.770 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CCn2cncc2C1 1322895825 WSEFJFFJZIRCPV-QMMMGPOBSA-N 251.290 -0.204 50 20 CBGD CC(C)OCC(=O)NNc1nc(O)c2cnn(C)c2n1 1324132493 CWBCFVGXJUXRHY-UHFFFAOYSA-N 280.288 -0.063 50 20 CBGD CNS(=O)(=O)c1ccc(C(=O)NNc2nc[nH]n2)cc1 1325023061 KHTJJFXMTJBGKQ-UHFFFAOYSA-N 296.312 -0.530 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CCC[C@@H]1C 1325120875 XHSZMFNXBINBIG-JGVFFNPUSA-N 257.290 -0.074 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCC2CCCC2)N1 1328765932 ZZAHABOFAIZQDH-SECBINFHSA-N 268.317 -0.214 50 20 CBGD C[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)C(=O)N1CCCC1 1329898473 PYRUDIPMWQHMRD-VIFPVBQESA-N 293.327 -0.642 50 20 CBGD C=C[C@@H](COC)NC(=O)NNC(=O)C1CCOCC1 1330846292 IZOGNSLHUDKQBB-JTQLQIEISA-N 271.317 -0.056 50 20 CBGD Cc1cccnc1NNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1331530207 DGZXZZOTIZYKJY-MRVPVSSYSA-N 292.299 -0.674 50 20 CBGD CCOC1CC(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 1336669114 FKYFNCVOJLQXTL-RTBKNWGFSA-N 283.328 -0.382 50 20 CBGD Cc1cc(C)n2ncc(C(=O)NNC(=O)CO)c2n1 1337336904 QGSQKDBRVJSSSO-UHFFFAOYSA-N 263.257 -0.901 50 20 CBGD CO[C@@H](C)CS(=O)(=O)NNC(=O)c1cnccn1 1339980397 YVLNMTSNVRETKA-ZETCQYMHSA-N 274.302 -0.924 50 20 CBGD CCNC(=O)NNC(=O)c1ccnc2c1ncn2C 1343704376 KGSOWFNOVXBLDX-UHFFFAOYSA-N 262.273 -0.068 50 20 CBGD O=C(CCC1CCOCC1)NNC(=O)[C@@H]1CCC(=O)N1 1348479732 VGASYCHMNNUCMM-JTQLQIEISA-N 283.328 -0.381 50 20 CBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)c1ccc[nH]1 1520747425 OWKJQZGFRNUOBK-KOLCDFICSA-N 277.328 -0.836 50 20 CBGD O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@@H]1C[C@@H](O)CN1 1574335017 ZZALQCPVJPPPDI-XCBNKYQSSA-N 284.247 -0.100 50 20 CBGD CCc1ccccc1OCC(=O)NNC(=O)CON 1578277198 PUKZDOGDNWKXKQ-UHFFFAOYSA-N 267.285 -0.335 50 20 CBGD CCn1ncc(C(=O)NNC(=O)[C@H]2CCN2)c1C 1578363727 VNOPZXQNDWLOOK-SECBINFHSA-N 251.290 -0.666 50 20 CBGD O=C(NNC(=O)[C@H]1CCN1)c1nncc2ccccc12 1580735922 HUPKRJZQLOHCHR-SNVBAGLBSA-N 271.280 -0.247 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)c1cccc(F)n1)C(=O)O 1589057046 WDADYFCNFOEYQA-LURJTMIESA-N 284.247 -0.115 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccc(-c2nn[nH]n2)c(O)c1 1590001305 WSKKJSUVJPCSBS-ZETCQYMHSA-N 292.299 -0.470 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@@H](CC(=O)O)C1CC1 1596861543 OVGZSHAZJLQEBY-SECBINFHSA-N 287.316 -0.146 50 20 CBGD O=C(NNC(=O)[C@@H]1CC=CCC1)C(=O)NC1CC1 9889465 LLJLWQLEYAMMFC-MRVPVSSYSA-N 251.286 -0.231 50 20 CBGD CCOCCCC(=O)NNC(=O)c1cnn(C)c1 117679401 GPDXMLZLZAYAFE-UHFFFAOYSA-N 254.290 -0.002 50 20 CBGD CN(NC(=O)CNC(=O)c1ccc(F)cc1F)C(N)=O 180352423 WJOSAENVQDCHRJ-UHFFFAOYSA-N 286.238 -0.264 50 20 CBGD Cc1n[nH]c(SCC(=O)NNC(=O)N(C)C)n1 266896574 XSBMCUISFNTLFU-UHFFFAOYSA-N 258.307 -0.492 50 20 CBGD Cc1cc(CC(=O)NNC(=O)N2CCOCC2)n[nH]1 267963627 MMXMTCZDZXSYSE-UHFFFAOYSA-N 267.289 -0.666 50 20 CBGD O=C1CCCC[C@@H](C(=O)NNC(=O)C2CCC2)N1 279128314 WSJYZTHSIAALMY-VIFPVBQESA-N 253.302 -0.007 50 20 CBGD CC1=C(C(=O)NNC(=O)CN(C)C)SCCO1 287774975 QSOPDINMCMWHAR-UHFFFAOYSA-N 259.331 -0.310 50 20 CBGD C=C(C)[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CCN(C)CC1 288062252 TUBVDHUHVVNPAZ-VXGBXAGGSA-N 296.371 -0.044 50 20 CBGD CNC(=O)NCCC(=O)NNc1ncccc1F 293792403 ZZZDUOYFQBOSPW-UHFFFAOYSA-N 255.253 -0.017 50 20 CBGD COCCCNC(=O)NNC(=O)Cn1cccn1 299252004 ZIRSGRGCDUIWFK-UHFFFAOYSA-N 255.278 -0.750 50 20 CBGD CC(=O)NNC(=O)COC1CN(C(=O)OC(C)(C)C)C1 495912596 SNOXWURQBGHXEN-UHFFFAOYSA-N 287.316 -0.210 50 20 CBGD CC1(C)[C@@H](O)C[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584974273 NDYOQORACADXPY-QWRGUYRKSA-N 281.092 -0.605 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1[C@H]2CC[C@H]1COC2 584998925 SQMHFHJXOVLQPQ-RYUDHWBXSA-N 261.086 -0.630 50 20 CBGD C[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1CCO 585006515 MUUUZSMSWPAPPG-RISCZKNCSA-N 291.156 -0.011 50 20 CBGD C[C@@H](CO)[C@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 585006815 OYOLFDQQCRDXHO-SMDDNHRTSA-N 291.156 -0.011 50 20 CBGD COCC(COC)NCc1cccc(B(O)O)c1 585044362 GLYBILJQUBYFCR-UHFFFAOYSA-N 253.107 -0.883 50 20 CBGD CN(C)c1cccc(CCC(=O)NCB(O)O)c1 585062754 MTIVVICKOQBGDA-UHFFFAOYSA-N 250.107 -0.187 50 20 CBGD C[C@@H](O)CNc1cc(N2CC[C@@H](B(O)O)C2)ncn1 585078975 QQJOYTWZNGCVDV-RKDXNWHRSA-N 266.110 -0.678 50 20 CBGD CNC(=O)NNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 726528277 RLRFODDTBZVBRJ-UHFFFAOYSA-N 270.249 -0.513 50 20 CBGD CN(C)N(C(=O)[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 728160919 CQHBWOXKHHALBI-QWRGUYRKSA-N 290.385 -0.095 50 20 CBGD CN1CCN(C)[C@@H](CNC(=O)NNC(=O)C2CCCC2)C1 732475168 WOHXXHAFNCQVMP-LBPRGKRZSA-N 297.403 -0.247 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H](C)[C@H]1CCOC1 745862601 YOPHNUHKRYQBNW-IUCAKERBSA-N 259.306 -0.222 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@](F)(C(=O)OC)C1 752308329 HBIRSKPSPMEWNJ-PELKAZGASA-N 289.307 -0.481 50 20 CBGD Cn1nnc2cc(C(=O)NNC(=O)Cc3cc[nH]n3)ccc21 755269038 JWOQSNXKDNDMNT-UHFFFAOYSA-N 299.294 -0.305 50 20 CBGD CC(C)NC(=O)C(=O)NN=C1CCS(=O)CC1 761803527 CHDVHPKNSRSPRR-UHFFFAOYSA-N 259.331 -0.474 50 20 CBGD COC(=O)COCC(=O)NNC(=O)CC(F)(F)F 806537928 YDRWGRPEDUOOIF-UHFFFAOYSA-N 272.179 -0.724 50 20 CBGD CO[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)C1CC1 807382022 UDHLAXIQQWHELN-SNVBAGLBSA-N 270.333 -0.600 50 20 CBGD O=C(CO)NNC(=O)COc1cc(F)cc(F)c1 810919140 BWDQXGMLEMCFIJ-UHFFFAOYSA-N 260.196 -0.517 50 20 CBGD CNC(=O)NCCC(=O)NNC(=O)NCc1ccco1 814625774 GGRCUWYFNTWURM-UHFFFAOYSA-N 283.288 -0.571 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CCCCN1CCOCC1 823935571 UBWWDNMMSMSNRK-LBPRGKRZSA-N 273.377 -0.167 50 20 CBGD C[C@@H](C(=O)NNC(=O)CN1CCCC1=O)c1ccccn1 827831818 KLMCQNHRGGHLHJ-SNVBAGLBSA-N 290.323 -0.045 50 20 CBGD C[C@H]1CCCN1S(=O)(=O)NNC(=O)[C@@H]1CCCCO1 830038066 ZHEATQFHXGMLSI-UWVGGRQHSA-N 291.373 -0.095 50 20 CBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)[C@@H]1CCCCO1 841437966 GURQWMVUVQMCGS-FXQIFTODSA-N 271.273 -0.800 50 20 CBGD C#CCN1CCC(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1 843644734 CZWYTZRSRZIVHA-AAEUAGOBSA-N 293.367 -0.096 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843658749 VIJXPDMJNWSVDZ-IWSPIJDZSA-N 271.317 -0.527 50 20 CBGD CNC(=S)N(C)NC(=O)Cn1cc([N+](=O)[O-])cn1 854926533 BLBRWRZLRJXWQC-UHFFFAOYSA-N 272.290 -0.741 50 20 CBGD CC(C)n1ncc(C(=O)NNC(=O)c2cc[nH]n2)c1N 855356275 OLPYFLPURVHKDN-UHFFFAOYSA-N 277.288 -0.156 50 20 CBGD O=C(C[C@@H]1CCCOC1)NNC(=O)c1cc[nH]n1 855356498 NHZNYHBPAZYRJG-QMMMGPOBSA-N 252.274 -0.013 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1C[C@H]1OC(C)(C)C 857110295 TVXJDLVZRSIQLK-RKDXNWHRSA-N 257.334 -0.101 50 20 CBGD CC[C@@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CC1 858616880 QPHXTJZEBORQFQ-RKDXNWHRSA-N 268.317 -0.216 50 20 CBGD C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)CN(C)C)[C@@H]1C 863864987 DSLRPSXYHDVDHJ-PKIKSRDPSA-N 257.334 -0.245 50 20 CBGD CCOC(=O)c1noc(COc2ccc(B(O)O)cc2)n1 863865992 OQMPASPZBLCYPQ-UHFFFAOYSA-N 292.056 -0.495 50 20 CBGD C[C@]1(C(=O)NNC(=O)CO)COc2ccccc2O1 863903908 XLVSGZMOXZVDBQ-GFCCVEGCSA-N 266.253 -0.644 50 20 CBGD CC1(NC(=O)c2cc(B(O)O)ccc2F)COC1 870665378 RUOQTNYGNUFXJW-UHFFFAOYSA-N 253.038 -0.976 50 20 CBGD CN(C)C(=O)NNC(=O)C(C)(C)CN1CCOCC1 874248706 GDRGKFNNCKWDCK-UHFFFAOYSA-N 272.349 -0.353 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@]12CCOC2)c1cccnn1 882057179 PWCJEMDSECTEGI-PELKAZGASA-N 262.269 -0.336 50 20 CBGD O=C(C[C@@H]1CCCO1)NNC(=O)c1cccnn1 882060912 SZPSOYXPPGOOCY-QMMMGPOBSA-N 250.258 -0.193 50 20 CBGD CO[C@@H]1CCOC[C@H]1NC(=O)NNC(=O)C1CCC1 898097771 GDVIFRWOBSFCIL-NXEZZACHSA-N 271.317 -0.079 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CSc1nnnn1C1CC1 910173882 ONLUIDOGGGXTGA-SSDOTTSWSA-N 286.361 -0.556 50 20 CBGD Cc1csc(=O)n1CCC(=O)NN(C)C[C@H](C)O 910176403 ADNKJSVGHINMRP-VIFPVBQESA-N 273.358 -0.048 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1ccc2c(c1)CC(=O)N2 920833920 DQNKFTZPPCBDRJ-UHFFFAOYSA-N 298.324 -0.306 50 20 CBGD CN(C)C(=O)CNC(=S)NNC(=O)c1cccc(F)n1 1118516380 GXRQZFHMWNWOOI-UHFFFAOYSA-N 299.331 -0.582 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)CN1C(=O)CNC1=O 1317705070 WWTFATJZSZGOKB-UHFFFAOYSA-N 272.261 -0.906 50 20 CBGD CCNC(=O)NNC(=O)c1c([N+](=O)[O-])cnn1C 1319754403 ADRSLFYCEMRPRV-UHFFFAOYSA-N 256.222 -0.708 50 20 CBGD CS(=O)(=O)CC(=O)NNc1nc2ccccn2n1 1324517263 PDLZZWFWSKDYHU-UHFFFAOYSA-N 269.286 -0.783 50 20 CBGD O=C(NNC(=O)[C@H]1CCCS(=O)(=O)C1)C1CCC1 1328679308 NUZAGLSFPLRBFE-VIFPVBQESA-N 274.342 -0.241 50 20 CBGD CN(C)C1(C(=O)NNC(=O)C(=O)Nc2ccccn2)CC1 1329131107 YZJXLARGHAUCBY-UHFFFAOYSA-N 291.311 -0.738 50 20 CBGD O=C(NNC(=O)[C@@H]1CCn2cncc2C1)c1cn[nH]c1 1329202002 UREOWWUGCWYHLS-MRVPVSSYSA-N 274.284 -0.370 50 20 CBGD C[C@@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1cnn(C)c1 1334906282 INUSWLOBLBDKDU-VXNVDRBHSA-N 294.315 -0.910 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@@H]1CN2CCN1C[C@H]2C 1347519013 ZHAQHBJBQAVLBV-ZJUUUORDSA-N 269.349 -0.887 50 20 CBGD O=C(Cc1ccco1)NNC(=O)[C@@H]1CCC(=O)N1 1351628350 PHAVZDSNNHLVDH-QMMMGPOBSA-N 251.242 -0.752 50 20 CBGD Cc1ccc(-c2nn[nH]n2)cc1C(=O)NN(C)C(N)=O 1581134052 OWASUYKVKBRSCX-UHFFFAOYSA-N 275.272 -0.170 50 20 CBGD CC(=NNC(=O)C(=O)O)c1cccc(NS(C)(=O)=O)c1 1589011379 WMUBKJRGYLQYBU-UHFFFAOYSA-N 299.308 -0.017 50 20 CBGD CNC(=O)NNC(=O)C1(C(=O)O)CC2(CCC2)C1 1598651321 VVUSDMHCAWNQEB-UHFFFAOYSA-N 255.274 -0.018 50 20 CBGD CO[C@@](C)(C1CC1)[C@H](C)NC(=O)NNC(=O)C(=O)O 1599036398 WCIUZNYOTIQFMF-UPONEAKYSA-N 273.289 -0.395 50 20 CBGD C[C@@H](O)[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)O 1599843827 LTAHRBKUWVQAAD-NFVJGEGUSA-N 278.268 -0.723 50 20 CBGD Cn1c(C=NNC(=O)[C@@H]2COCCO2)ccc1C(=O)O 1600911963 LXFXGUOPKDUSMQ-JTQLQIEISA-N 281.268 -0.411 50 20 CBGD Cn1c(C=NNC(=O)CS(C)(=O)=O)ccc1C(=O)O 1600912928 YEEKYTVXDBMKBH-UHFFFAOYSA-N 287.297 -0.782 50 20 CBGD CCN(CCC(=O)O)C(=O)c1ccc(B(O)O)cc1 1605439820 YRFZTNZUIJDAMO-UHFFFAOYSA-N 265.074 -0.697 50 20 CBGD O=C(O)[C@H]1C[C@H](O)CN1CCI 1608606139 FYOOZZGSINNNOQ-NTSWFWBYSA-N 285.081 -0.059 50 20 CBGD O=C(O)[C@H]1CCCCN1C(=O)c1cc(B(O)O)ccc1F 1608819666 URORAACNAHAPKN-LLVKDONJSA-N 295.075 -0.415 50 20 CBGD O=C(NCCNC(=O)c1ccn[nH]1)NNc1ccccn1 181683126 CGQUGJHBXRLKEG-UHFFFAOYSA-N 289.299 -0.139 50 20 CBGD Cn1cc(C(=O)NNC(=O)CO)c(-c2ccccc2)n1 182769124 VOVOSLVLXFBPBR-UHFFFAOYSA-N 274.280 -0.160 50 20 CBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CC2)cn1 274445168 HMZHVMNGDLLWFB-UHFFFAOYSA-N 298.324 -0.839 50 20 CBGD COc1ccnc(NNC(=O)CCCC(N)=O)n1 274908936 SVEPQXCQBOECKX-UHFFFAOYSA-N 253.262 -0.416 50 20 CBGD C#CC[C@H](NS(=O)(=O)CBr)C(=O)O 274985771 KDMSYSWXBXLRKY-YFKPBYRVSA-N 270.104 -0.265 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cc3n(n2)CCO3)[nH]n1 290631764 XXUADVKSNVLWMO-UHFFFAOYSA-N 276.256 -0.618 50 20 CBGD C[C@H](CN)N(C)CC(=O)NNC(=O)c1cccs1 383017080 JVBWFBIDMVZNNE-MRVPVSSYSA-N 270.358 -0.212 50 20 CBGD COC(=O)N(C)NC(=O)CCN1CCCS1(=O)=O 495826387 WHAHYBLIIKTUEJ-UHFFFAOYSA-N 279.318 -0.859 50 20 CBGD CO[C@@H]1COCC[C@@H]1CC(=O)Nc1cccc(B(O)O)c1 584913007 YWVDHKABWOQRLD-ZWNOBZJWSA-N 293.128 -0.254 50 20 CBGD Cc1nc(CCNC(=O)c2ccc(B(O)O)c(F)c2)no1 584942918 ZTQVWARXUGTKHE-UHFFFAOYSA-N 293.063 -0.831 50 20 CBGD CC[C@@](C)(CO)CNC(=O)c1ccc(B(O)O)cc1 584964898 NEFGOJLNIQMZOR-CYBMUJFWSA-N 265.118 -0.495 50 20 CBGD C[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)c1ncn(C)n1 584977030 OPRBHNCFWZPJCQ-ZETCQYMHSA-N 292.079 -0.875 50 20 CBGD C[C@@H](CCCO)CNC(=O)c1cc(B(O)O)ccc1F 584994875 FVFQOSHACOAHQU-VIFPVBQESA-N 283.108 -0.356 50 20 CBGD CC[C@@H](O)[C@@H](CC)NC(=O)c1ccc(B(O)O)c(F)c1 584997164 WTCQEMZPSKMTAE-VXGBXAGGSA-N 283.108 -0.215 50 20 CBGD CC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(B(O)O)cc1 585005421 HBCSJJKCXXGKRB-GFCCVEGCSA-N 290.128 -0.941 50 20 CBGD CC(=NNC(=O)C(N)=O)c1nc2ccccc2n1C 744575522 NSRCBAACYPVQRC-UHFFFAOYSA-N 259.269 -0.101 50 20 CBGD O=C(NNC(=S)NC[C@@H]1CCOC1)NC1CC1 749692206 QEUXCPZHONYBKR-ZETCQYMHSA-N 258.347 -0.136 50 20 CBGD CC(C)n1ncc2cc(C(=O)NNC(=O)CO)cnc21 753438454 FMZVLTVLKDCZGC-UHFFFAOYSA-N 277.284 -0.235 50 20 CBGD COc1cc(C(=O)NNC(=O)CO)cc2c1O[C@H](C)C2 753440091 WKYXROLBSCMWLD-SSDOTTSWSA-N 280.280 -0.228 50 20 CBGD CC[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)N1CCCC1=O 755278766 DERRCNUFDADXFP-JTQLQIEISA-N 293.327 -0.499 50 20 CBGD COCCC(C)(C)C(=O)NNC(=O)C(=O)N1CCCC1 759686698 PAPYTPHHUAFUMM-UHFFFAOYSA-N 285.344 -0.181 50 20 CBGD CN1CC[C@H](C(=O)NNc2ncc(F)cn2)CC1=O 760906378 UDIPOFYTYLJTML-ZETCQYMHSA-N 267.264 -0.073 50 20 CBGD O=C(NN=C1CCN2CCC[C@@H]12)[C@@H]1CCS(=O)(=O)C1 765565211 RNNREGVCZJTPNK-KOLCDFICSA-N 285.369 -0.239 50 20 CBGD CC(C)[C@@](C)(O)C(=O)NNC(=O)Cc1cc[nH]n1 771328634 VSFMYPKBQJPYSA-LLVKDONJSA-N 254.290 -0.493 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)CC[C@H]1O 778252424 GWGVUWGGUCUVEC-WCBMZHEXSA-N 255.318 -0.754 50 20 CBGD CCNC(=O)N(C)NC(=O)Cn1nc2ccccn2c1=O 780708419 IFCJXXWHICXYDU-UHFFFAOYSA-N 292.299 -0.812 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CCc2nccn2C1 786828334 UNIUMNNBRNTEFX-QMMMGPOBSA-N 251.290 -0.204 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1csnn1 802024006 DAZPEUPDMGOOCI-UHFFFAOYSA-N 264.270 -0.179 50 20 CBGD NC(=O)C(=O)NN=C1CCO[C@H](C(F)(F)F)C1 814696047 YRHRQMUKNGOKAT-YFKPBYRVSA-N 253.180 -0.315 50 20 CBGD CC[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)C(=O)NC 827258660 CGCXXRAPRLMUKL-HLTSFMKQSA-N 286.332 -0.734 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1nccn(C)c1=O 831611324 SHGUCDNRGADHFL-JGVFFNPUSA-N 295.299 -0.642 50 20 CBGD CC(=O)c1ccc(C(=O)NNC(=O)CN(C)C)cc1O 839637463 DSZWFEVTPOPLAS-UHFFFAOYSA-N 279.296 -0.083 50 20 CBGD NS(=O)(=O)C1(C(=O)NNC(=O)Nc2ccccc2)CC1 846096041 TYDVXTJCAXPJFZ-UHFFFAOYSA-N 298.324 -0.340 50 20 CBGD CNC[C@@H](C)NC(=O)NNC(=O)Cc1cccnc1 851682461 WETRRHBCAHLBNA-SECBINFHSA-N 265.317 -0.438 50 20 CBGD CSC(C)(C)C(=O)NNC(=O)C(=O)NC1CC1 854290736 CVBBSKHFRGUAAT-UHFFFAOYSA-N 259.331 -0.446 50 20 CBGD CCS(=O)(=O)N[C@H](C)C(=O)NNc1ncncc1F 854609628 SLRQFDWPPQLHMJ-ZCFIWIBFSA-N 291.308 -0.613 50 20 CBGD COC(=O)c1cc(NNC(=O)[C@H]2CC(=O)N2)ccc1F 854854360 UAEKGAWTGYLKCQ-SECBINFHSA-N 281.243 -0.056 50 20 CBGD CN(C[C@H]1CC1(C)C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858702351 IINPVDLJFHOYQW-BDAKNGLRSA-N 282.344 -0.016 50 20 CBGD Cc1cccnc1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 860911196 YBPILBAWPYFCPR-QMMMGPOBSA-N 277.284 -0.179 50 20 CBGD CCN1CCCC[C@@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862453823 ZKICKKZNAMRYOW-NXEZZACHSA-N 282.344 -0.713 50 20 CBGD CCOC(=O)C1(CNC(=O)c2cccc(B(O)O)c2)CC1 863878723 JQRPWLRMEMAVNV-UHFFFAOYSA-N 291.112 -0.561 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)[C@H]1CCCNC1=O 868028170 QGTQPSSEWZJYAQ-YFKPBYRVSA-N 282.222 -0.595 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@@H]1CCCC[C@H]1O 869905398 CCTQJEXLUOSVPU-WDEREUQCSA-N 288.344 -0.262 50 20 CBGD CCCn1cc(C=NNC(=O)COCCOC)nn1 872399122 ALYGBKRYPNAYKM-UHFFFAOYSA-N 269.305 -0.199 50 20 CBGD CC(C)NC(=O)CCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 1118971162 UXZVYCKCKAIDJF-SECBINFHSA-N 298.343 -0.893 50 20 CBGD COc1cc(C(=O)NN)cc(OC)c1OCC(N)=O 1261493142 LVPLDKMVSLSFNB-UHFFFAOYSA-N 269.257 -0.829 50 20 CBGD COCCN(C)NC(=O)CN1CCC(CO)CC1 1262624938 VIFAIFGKETZWOB-UHFFFAOYSA-N 259.350 -0.700 50 20 CBGD COc1cc(C)nc(NNC(=O)c2ccc(=O)n(C)n2)n1 1318871955 KLOCBIMHFNWQHW-UHFFFAOYSA-N 290.283 -0.356 50 20 CBGD Cn1ccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)n1 1320520766 BGKPMPUZNWQDJQ-UHFFFAOYSA-N 281.316 -0.058 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1C[C@@]12CCOC2 1323940581 GXTWFDGSDASUAD-PRHODGIISA-N 269.301 -0.915 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)C(=O)NCC1CC1 1326978673 NSUYEYHRFXPTST-UHFFFAOYSA-N 282.222 -0.595 50 20 CBGD CC(C)(C=NNC(=O)c1cc[nH]n1)S(C)(=O)=O 1330029384 JYXFEMKGWKILKZ-UHFFFAOYSA-N 258.303 -0.052 50 20 CBGD Cc1cc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)nnc1C 1331523061 BYTKDSDJLGJZEB-MRVPVSSYSA-N 292.299 -0.475 50 20 CBGD Cc1cocc1C(=O)NNC(=O)CS(C)(=O)=O 1331736289 JTLOVBLMCKPMOD-UHFFFAOYSA-N 260.271 -0.606 50 20 CBGD CC(=O)C1(NC(=O)c2cc(B(O)O)ccc2F)CC1 1332629198 GNFMPOQSMNSYCZ-UHFFFAOYSA-N 265.049 -0.643 50 20 CBGD CC(C)n1cc(C=NNC(=O)[C@H]2CCC(=O)N2)nn1 1335346967 HVWVKEGMRORVNC-SECBINFHSA-N 264.289 -0.412 50 20 CBGD CN1CCN(CC(=O)NNc2ncncc2F)CC1 1344085435 AQQJPFWPNSZALJ-UHFFFAOYSA-N 268.296 -0.694 50 20 CBGD COC(=O)c1ncoc1CCC(=O)NNC(=O)NC1CC1 1347380471 NKJUJCIPBXRVAG-UHFFFAOYSA-N 296.283 -0.113 50 20 CBGD CC(=O)N[C@@H](C(=O)NNC(=O)C1CCOCC1)C(C)C 1353028960 DYJQHRSKPKZFCA-LLVKDONJSA-N 285.344 -0.279 50 20 CBGD Cn1cnc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c1 1549321363 RUDBUHSGMUNQLV-VXGBXAGGSA-N 277.328 -0.267 50 20 CBGD C[C@H]1Cn2nc(C(=O)NNC(=O)c3ccc[nH]3)cc2CN1 1576872249 VKCZQIUULVWIHQ-QMMMGPOBSA-N 288.311 -0.222 50 20 CBGD CC1=NO[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cn2)C1 1590163115 QXQSPRHNAXEMJT-QMMMGPOBSA-N 288.271 -0.130 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1C[C@H]1C(=O)O 1596768292 CDXPVLHLOBYMLU-JGVFFNPUSA-N 288.300 -0.356 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCOC[C@@H]1C(=O)O 1596864917 YLRGZFTZCKPIAK-BNICOGTQSA-N 254.242 -0.258 50 20 CBGD CCC(=O)NNS(=O)(=O)c1ccccc1-c1nn[nH]n1 1603974529 IXUPRBIAPLLUSF-UHFFFAOYSA-N 296.312 -0.414 50 20 CBGD O=C(Cc1cc[nH]n1)NN=Cc1cc(C(=O)O)no1 1610673540 KEIBVIUZQQICMA-UHFFFAOYSA-N 263.213 -0.211 50 20 CBGD CCOC(=O)c1c[nH]nc1S(=O)(=O)NNC(=O)OC 48412055 WOHBAGLPZGIXLI-UHFFFAOYSA-N 292.273 -0.864 50 20 CBGD CNC(=O)NNC(=O)c1cccc(N2CCNC2=O)c1 48950632 NOXYXKATKIUAML-UHFFFAOYSA-N 277.284 -0.210 50 20 CBGD CNC(=O)NNC(=O)Cn1cnc2c(C)cccc2c1=O 56375764 YROXXFKFSHSDMG-UHFFFAOYSA-N 289.295 -0.335 50 20 CBGD O=C(NNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)C1CC1 75540281 FFSDDWRNDIGFBE-SSDOTTSWSA-N 293.245 -0.045 50 20 CBGD O=C1CN(S(=O)(=O)CCCCCl)CCN1 162545918 YRHYVJSINJDMQY-UHFFFAOYSA-N 254.739 -0.233 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccn(CC(F)F)n1 193013503 PVVFPKJFZNBLBK-UHFFFAOYSA-N 275.259 -0.529 50 20 CBGD CC(C)(C)OCC(=O)NNC(=O)C(=O)NC1CC1 272470201 FPAGPWINXMAPOH-UHFFFAOYSA-N 257.290 -0.773 50 20 CBGD C#C[C@@H](C)NC(=O)NNC(=O)CNC(=O)c1cccs1 275114361 SJRNAJZFUQRAAD-MRVPVSSYSA-N 294.336 -0.170 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)N2CCC[C@H](C)C2)[nH]n1 278485287 VHGIXPWMOLTQPH-QMMMGPOBSA-N 293.327 -0.262 50 20 CBGD COC(=O)NNS(=O)(=O)c1csnc1C(=O)OC 493359859 SFGNGVHMDJEQIC-UHFFFAOYSA-N 295.298 -0.521 50 20 CBGD COCCn1cc(C(=O)NNC(=O)OC)c(C)n1 495406832 GGTNFVDWWFUQEP-UHFFFAOYSA-N 256.262 -0.161 50 20 CBGD COC(=O)N(C)NC(=O)[C@H](C)CS(C)(=O)=O 495693769 SNZLLJCDEHUHML-ZCFIWIBFSA-N 252.292 -0.604 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 584954040 DRVFOYCCGNQCGE-AAVRWANBSA-N 287.124 -0.384 50 20 CBGD C[C@@H](CCn1cncn1)NC(=O)c1ccc(B(O)O)cc1 584960824 NJTDKDOXKSTTGB-JTQLQIEISA-N 288.116 -0.834 50 20 CBGD N#C[C@@H]1CSCCN1C(=O)c1ccc(B(O)O)c(F)c1 584970742 SLRRXZMEBFAOPQ-SECBINFHSA-N 294.116 -0.413 50 20 CBGD C[C@H](O)C[C@H](C)NC(=O)c1ccc(B(O)O)cc1 584972898 IZHUZUVISYAZEW-IUCAKERBSA-N 251.091 -0.744 50 20 CBGD O=C(N[C@@H]1CCC[C@H]1CCO)c1ccc(B(O)O)c(F)c1 584974137 MPRSNHVMPFIZSA-TVQRCGJNSA-N 295.119 -0.214 50 20 CBGD C[C@@H]1NC(=O)CC[C@@H]1CNCc1ccccc1B(O)O 585045970 KWGAZFQYTMXOSU-WDEREUQCSA-N 276.145 -0.629 50 20 CBGD O=S(=O)(N1CCCCC1)N1CC[C@@H](B(O)O)C1 585058320 XSZAZHPKQJMLQA-SECBINFHSA-N 262.140 -0.734 50 20 CBGD CC(C)CC(=O)NNS(=O)(=O)c1ccn(C)n1 727351890 RDGWVZLMZAOKNR-UHFFFAOYSA-N 260.319 -0.224 50 20 CBGD O=C(NNC(=O)[C@H]1CCCOC1)C(=O)N1CCCC1 727733307 ZIWOZQMURYBILT-VIFPVBQESA-N 269.301 -0.817 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(-n2cccn2)nc1 727761454 GKAOTLVFKHPJKX-UHFFFAOYSA-N 288.311 -0.410 50 20 CBGD CO[C@@H](C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 736957215 FSEUVEDKGCGVMZ-ZETCQYMHSA-N 290.283 -0.337 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1Cc2ccccc21 742036747 NSPZWUFRMMSPBS-LLVKDONJSA-N 275.308 -0.002 50 20 CBGD COC(=O)COc1ccc(C(C)=NNC(=O)C(N)=O)cc1 744997572 SFLGYYZWLSVORK-UHFFFAOYSA-N 293.279 -0.436 50 20 CBGD O=C(CO)NNC(=O)c1ccc(Cn2cccn2)o1 753438667 QMJGZYBZXFAAQV-UHFFFAOYSA-N 264.241 -0.722 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=O)c1ccc(C#N)cc1 754993744 IGPCBDHOPQPBCP-ZDUSSCGKSA-N 277.280 -0.283 50 20 CBGD CCCn1cc(C(=O)NNC(=O)N2CCOCC2)nn1 766555705 JYIUHJVJJJWAHH-UHFFFAOYSA-N 282.304 -0.625 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CNc1ccc(C#N)cc1 768245463 SDMJPXQYNKSQFI-UHFFFAOYSA-N 276.296 -0.112 50 20 CBGD C=CCNC(=S)NNC(=O)CCCC(=O)NC 798306737 UASIUOMRZVOMAZ-UHFFFAOYSA-N 258.347 -0.416 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CCc2cnn(C)c2C1 823884773 JJKKGOHSDLBHEK-JTQLQIEISA-N 266.345 -0.130 50 20 CBGD CC(C)C[C@H](NC(=O)O)C(=O)NNc1nccn(C)c1=O 824299420 JHCSEFQOAIGHMB-QMMMGPOBSA-N 297.315 -0.094 50 20 CBGD C[C@H](CN(C)CC(=O)NNC(=O)C(C)(C)C)C(=O)O 827442476 MMABZZPFKNQLSC-MRVPVSSYSA-N 273.333 -0.168 50 20 CBGD CO[C@@H]1COC[C@H]1NCC(=O)NNC(=O)c1ccccc1 830085044 DWZNGXARQUSDQW-VXGBXAGGSA-N 293.323 -0.549 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCCc3nn[nH]c32)n[nH]1 831419270 XMUABBPHGZVHAQ-SSDOTTSWSA-N 289.299 -0.283 50 20 CBGD O=C(C[C@H]1CCC(=O)N1)NNc1nc2ccccn2n1 834350619 DCWSEIUXMAFYGY-MRVPVSSYSA-N 274.284 -0.159 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ncn(C)n1 843659274 XKVLSEFMPLCNBY-NKWVEPMBSA-N 253.262 -0.999 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CO1 843659379 UJPVIXMGCKXEAC-DOLQZWNJSA-N 256.302 -0.016 50 20 CBGD COc1ccc(N2C[C@H](NC(=O)NN)CC2=O)cc1 851670325 MESQGHUKGBRGMN-MRVPVSSYSA-N 264.285 -0.027 50 20 CBGD CC(=O)N1CC[C@](C)(C(=O)NNC(=O)c2cc[nH]n2)C1 855357149 BQTXEBCVGPXZGE-LBPRGKRZSA-N 279.300 -0.571 50 20 CBGD COC(=O)C(C)(C)CNC(=O)NNC(=O)c1cn[nH]c1 858293744 PGLICMDDTVAXLW-UHFFFAOYSA-N 283.288 -0.447 50 20 CBGD C[C@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)c1cn[nH]c1 862474894 SMAHIJPBDGDERG-WPRPVWTQSA-N 282.300 -0.245 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CCOCCNC 863554448 ZFFKQAPKJOUXCP-SNVBAGLBSA-N 274.365 -0.900 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CC([C@H]2CCOC2)C1 863882030 WPKYFKJCVYNXCN-VIFPVBQESA-N 293.103 -0.386 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2c(F)ccc(O)c2O)N1 863935933 YAYYZQKRGAHEQP-LURJTMIESA-N 297.242 -0.724 50 20 CBGD COC(=O)N(C)CCCC(=O)N1CC[C@H](B(O)O)C1 864230964 HNVVZDFBWHLFIB-VIFPVBQESA-N 272.110 -0.460 50 20 CBGD COCCOCC(=O)NNC(=O)C1=C(C)OCCS1 869906878 UXDAYTKUZPRSGA-UHFFFAOYSA-N 290.341 -0.208 50 20 CBGD CCn1ncc(C(=O)NNC(=O)CN2CCCC2=O)c1C 913730252 NVGOSVLSKIBXTK-UHFFFAOYSA-N 293.327 -0.405 50 20 CBGD CCCCO[C@@H](C)C(=O)NNC(=O)CN1CCCC1=O 920887957 REHHELATMXBVBZ-JTQLQIEISA-N 285.344 -0.039 50 20 CBGD CCNC(=O)CCC(=O)NNC(=O)Cc1cc[nH]n1 1116560622 SIDZPQLMCSWWKQ-UHFFFAOYSA-N 267.289 -0.984 50 20 CBGD COc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)o1 1118378808 SGUCVGLGEKGZCG-UHFFFAOYSA-N 267.241 -0.672 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=S)Nc2ccccn2)CN1 1119117063 ZMMKZIRUJMVZHI-QMMMGPOBSA-N 293.352 -0.075 50 20 CBGD COC(=O)[C@H]1C[C@@H](C(=O)NNC(=O)C2CCOCC2)C1 1120774344 NLSIOGLWOJEMJA-AOOOYVTPSA-N 284.312 -0.240 50 20 CBGD O=C(NCCC(=O)N1CC[C@H](B(O)O)C1)c1ccco1 1261844555 SDDFDALNILOSNX-VIFPVBQESA-N 280.089 -0.525 50 20 CBGD Cn1cccc1C(=O)NNC(=O)C1CCS(=O)(=O)CC1 1318434527 DHCMYYYMWVWXIJ-UHFFFAOYSA-N 299.352 -0.389 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@]2(F)CCOC2)cn1 1324090568 BHOKIXAIEFTUCA-SNVBAGLBSA-N 256.237 -0.690 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ncn(C)n1 1326294344 AXOVXIUVVIDGHH-YIZRAAEISA-N 296.331 -0.369 50 20 CBGD CCC1(C(=O)NNC(=O)CS(C)(=O)=O)CCOCC1 1329126836 KSMLUWITEUEZJR-UHFFFAOYSA-N 292.357 -0.615 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1ccns1 1336064873 QBOQYPLWSRJWBG-UHFFFAOYSA-N 268.298 -0.474 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CN2CCN1C[C@@H]2C 1345507144 MJUOLRLFYDOUIJ-VHSXEESVSA-N 283.401 -0.944 50 20 CBGD CN(C)CCn1ccc(C(=O)NNC(=O)N(C)C)n1 1349785066 LVAKHIXZCBHOMJ-UHFFFAOYSA-N 268.321 -0.639 50 20 CBGD Cn1nncc1NNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 1351217367 QQLXQVUQZAFRAN-SFYZADRCSA-N 266.305 -0.450 50 20 CBGD CN(C)C(=O)OCCOc1ccc(B(O)O)cc1 1351705695 UZQHBWZCOHTZBP-UHFFFAOYSA-N 253.063 -0.557 50 20 CBGD Cc1ccc(C(=O)NNC(=O)NC2CCNCC2)nn1 1579663633 CHVYRTHPRIMLON-UHFFFAOYSA-N 278.316 -0.519 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](C(=O)O)[C@H](C)C1 1589424918 FQOXWWTZPBFQMY-UTLUCORTSA-N 285.344 -0.025 50 20 CBGD O=C(c1coc(-c2nn[nH]n2)c1)N1CC[C@@H](B(O)O)C1 1593366803 BLYAWQZXXKHWAZ-SSDOTTSWSA-N 277.049 -0.851 50 20 CBGD CN1C[C@@H](O)C[C@]1(C)C(=O)NNc1ncccc1C(=O)O 1593773445 FYRPDDUSSHWRIF-ISVAXAHUSA-N 294.311 -0.322 50 20 CBGD COCCCNC(=O)NNC(=O)C12CC(C(=O)O)(C1)C2 1599227521 XPMZHYIZSBEFHK-UHFFFAOYSA-N 285.300 -0.392 50 20 CBGD Cc1cccc(CCNC(=O)NNC(=O)C(=O)O)n1 1600530640 YGVYGSDRJGDMOU-UHFFFAOYSA-N 266.257 -0.652 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCN2CCCC[C@H]12 1601552877 MBQZMMLIKNJUMT-JGVFFNPUSA-N 270.289 -0.972 50 20 CBGD CCC(=NNC(=O)NCC(=O)O)c1ccn(C)n1 1609880326 JVDKUZSNMJCOBR-UHFFFAOYSA-N 253.262 -0.082 50 20 CBGD CN1Cc2ccccc2[C@@H](NC(=O)NNC(=O)C(=O)O)C1 1610138942 QLOHXICEHWWEJN-JTQLQIEISA-N 292.295 -0.412 50 20 CBGD CNC(=O)CC(=O)NNc1ccc(C(=O)O)cn1 1610139011 KPTREMMBSMDYPM-UHFFFAOYSA-N 252.230 -0.641 50 20 CBGD Cn1nncc1C(=O)NNc1ccc(C(=O)O)cn1 1610618443 UWUICUBSMMOMHE-UHFFFAOYSA-N 262.229 -0.335 50 20 CBGD COCC(=O)N1CCN(S(=O)(=O)CCCCl)CC1 37842706 VDCVCZCZWWMSGO-UHFFFAOYSA-N 298.792 -0.264 50 20 CBGD O=C(Cc1ccc(F)cc1)NNC(=O)[C@@H]1COCCO1 47954350 FQTHZKKXGPWUBP-NSHDSACASA-N 282.271 -0.069 50 20 CBGD Cn1cccc1C(=O)NNC(=O)Cn1ccc([N+](=O)[O-])n1 120530033 HRRTXWVHPYYZSK-UHFFFAOYSA-N 292.255 -0.409 50 20 CBGD O=C1CC[C@H]2CN(S(=O)(=O)CBr)CCN12 127582658 OEAPTOGMPJZWSC-ZETCQYMHSA-N 297.174 -0.025 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)[C@H]2CCNC(=O)C2)cc1 151352210 GPIVQFYRKWLNPK-NSHDSACASA-N 286.291 -0.155 50 20 CBGD COCCN1C[C@@H](C(=O)NN(C)C(=O)OC)CC1=O 285774378 AKGYXHSHXWPPLD-QMMMGPOBSA-N 273.289 -0.789 50 20 CBGD CCCc1cc(C(=O)NNC(=O)CN(C)C)no1 295391114 YKGAKGMJTQBELK-UHFFFAOYSA-N 254.290 -0.050 50 20 CBGD CCO/C=C(/C#N)C(=O)NC[C@@H]1CC(C(N)=O)=NO1 490692999 IBCHQCQVUPJERO-UAPHAKCISA-N 266.257 -0.823 50 20 CBGD COC(=O)N(C)NC(=O)[C@@]12CCC(=O)N1CCS2 495691507 BPTGNQFYTCIHNM-JTQLQIEISA-N 273.314 -0.219 50 20 CBGD C[C@@]1(CNC(=O)c2ccc(B(O)O)cc2)CCOC1 584946516 UDGBTEOZVQAPHE-ZDUSSCGKSA-N 263.102 -0.477 50 20 CBGD CC(C)[C@H](O)CCNC(=O)c1cccc(B(O)O)c1 584952028 RDZCFTNKHWOBLM-GFCCVEGCSA-N 265.118 -0.497 50 20 CBGD C[C@]1(NC(=O)c2ccc(B(O)O)cc2)CCCOC1 584970923 VFKDUYQRPLMMFX-ZDUSSCGKSA-N 263.102 -0.335 50 20 CBGD C[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1CCO 585007039 TYRFAQRCJJJWNZ-SMDDNHRTSA-N 291.156 -0.011 50 20 CBGD C[C@@H]1CN(C)CC[C@@H]1NCc1ccc(B(O)O)o1 585021949 GFZLYTHUMWMRBE-KOLCDFICSA-N 252.123 -0.611 50 20 CBGD CC(C)[C@H](CCO)NCc1cccc(B(O)O)c1 585024781 CNEHHJBSWCSQFU-ZDUSSCGKSA-N 251.135 -0.137 50 20 CBGD CCC(O)(CC)CCNCc1ccc(B(O)O)o1 585037527 ARUCJMJDWWPMRN-UHFFFAOYSA-N 255.123 -0.010 50 20 CBGD O=C(CCN1CCCC1=O)NNC(=O)c1ccc[nH]1 727726673 GUDIHKIVXKPHME-UHFFFAOYSA-N 264.285 -0.212 50 20 CBGD CCOCC(=O)NNC(=O)NCCCc1cnn(C)c1 731282289 KGBRLWUMZZUTSP-UHFFFAOYSA-N 283.332 -0.280 50 20 CBGD O=C(O)NCC(=O)NNC(=O)Cc1ccsc1 738652116 FINYDRUWGKVLQJ-UHFFFAOYSA-N 257.271 -0.294 50 20 CBGD CC(C)(NS(C)(=O)=O)C(=O)NNC(=O)C1CCC1 742071239 BUWZEPNIEZIYPK-UHFFFAOYSA-N 277.346 -0.738 50 20 CBGD Cn1ccnc(NNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1=O 747945776 QKPIKWKEGRMYBD-MRVPVSSYSA-N 291.311 -0.766 50 20 CBGD C[C@@H](OCC1CC1)C(=O)NNC(=O)C(=O)N1CCCC1 748246177 VAQNWBOCWWKTST-SECBINFHSA-N 283.328 -0.429 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cc(C(=O)OC)co1 753965382 SAAYXBPUVUMJNK-UHFFFAOYSA-N 277.258 -0.812 50 20 CBGD COCC(=O)NNC(=O)Nc1ccc(C(N)=O)cc1 761853520 SPGBHKBTLDZFFB-UHFFFAOYSA-N 266.257 -0.415 50 20 CBGD O=C(CN(CCO)Cc1cccnc1)NNC(=O)C1CC1 763566992 XYGPEQXSLMGQRT-UHFFFAOYSA-N 292.339 -0.567 50 20 CBGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)C2CC2)c1C 764589216 QVLKQKJXWOVCNX-UHFFFAOYSA-N 264.285 -0.432 50 20 CBGD Cc1cc(C(=O)NNC(=O)COC[C@@H]2CCCO2)n[nH]1 768277268 CQYMZZHTZDNCFL-VIFPVBQESA-N 282.300 -0.325 50 20 CBGD Cn1cc(S(=O)(=O)NCCN2CC=C(C#N)CC2)cn1 779590786 TYUVIAPLANAUOR-UHFFFAOYSA-N 295.368 -0.146 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)c1ccc(C)o1 780965373 MVUKSQFDDOKRSO-UHFFFAOYSA-N 253.258 -0.125 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cnns2)CC1 788169457 ONAMBJVSYWSACM-UHFFFAOYSA-N 270.318 -0.860 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCC(=O)c2cccn21 790042525 IDWNKKWDBILHBX-VIFPVBQESA-N 279.296 -0.076 50 20 CBGD COCCCn1nccc1C=NNC(=O)NCC(=O)OC 802712806 VPKLLOCVLKWNGJ-UHFFFAOYSA-N 297.315 -0.274 50 20 CBGD CO[C@@](C)(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)C1CC1 814834954 CGRANDJVPKEAOX-KCJUWKMLSA-N 291.373 -0.159 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCC(C)(C)C(=O)O)cn1 818624816 RWVOXYJAYIPBID-UHFFFAOYSA-N 297.315 -0.135 50 20 CBGD CN(C)CCN1C[C@H](C(=O)NNC(=O)CC2CC2)CC1=O 819110066 RKIIEDYWMMUGGF-LLVKDONJSA-N 296.371 -0.656 50 20 CBGD O=C(COCc1ccccc1)NNC(=O)[C@H]1CCNC1=O 828319495 NIPZCLDBUPCDAU-NSHDSACASA-N 291.307 -0.513 50 20 CBGD CSCCNC(=S)NNC(=O)[C@H]1NC(=O)O[C@@H]1C 841414835 FWVIRTTWKAISMX-RITPCOANSA-N 292.386 -0.658 50 20 CBGD CNC(=S)N(C)NC(=O)C1(C(=O)NC2CC2)CC1 854926384 YCQBIFMANYZLQA-UHFFFAOYSA-N 270.358 -0.488 50 20 CBGD O=C(NNC(=O)C1(n2cnnn2)CC1)c1ccccc1O 856762076 LNDWUQZIIDMNRQ-UHFFFAOYSA-N 288.267 -0.671 50 20 CBGD COCCN(C)NC(=O)C1(S(C)(=O)=O)CCCC1 857253913 VUNHTLPAESLKAO-UHFFFAOYSA-N 278.374 -0.047 50 20 CBGD C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)C(=O)NC2CC2)[C@H]1C 858167606 FQEYFNULCKQCBF-QHOPCYEYSA-N 283.328 -0.528 50 20 CBGD C[C@]1(CNC(=O)NNC(=O)c2cn[nH]c2)CCCO1 858289689 KDNUSRXAEYAMSW-LLVKDONJSA-N 267.289 -0.077 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCC[C@@H]2CCCCO2)N1 858352557 BNZLJACKFYHIJM-VHSXEESVSA-N 298.343 -0.445 50 20 CBGD CCC[C@@H](OC)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862462344 WNXZKDBDLGPLEH-JGVFFNPUSA-N 257.290 -0.773 50 20 CBGD C[C@@](O)(C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 862462389 WRZYSTWVKITEAE-HZMBPMFUSA-N 291.307 -0.680 50 20 CBGD CO[C@H](CC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(F)(F)F 862463543 HFOQIZCQWLDITL-PHDIDXHHSA-N 297.233 -0.620 50 20 CBGD CN(C)CC(=O)NNC(=O)c1nccc2[nH]ccc12 863864954 CTARHUPWXOOUPP-UHFFFAOYSA-N 261.285 -0.115 50 20 CBGD CCOc1ccc(C=NNC(=O)C(N)=O)c(O)c1 916272399 QYJNYTNYOYLNJQ-UHFFFAOYSA-N 251.242 -0.274 50 20 CBGD CCc1nc(C)c(C(=O)NNC(=O)C(=O)NC2CC2)o1 1117761786 GTWMXOUUXURQKW-UHFFFAOYSA-N 280.284 -0.415 50 20 CBGD Cc1nnc(CNC(=O)NNc2cccnn2)n1C 1252748913 RYLDZTFHJNNLFR-UHFFFAOYSA-N 262.277 -0.260 50 20 CBGD O=C([C@@H]1CCCN1c1ncccn1)N1CC[C@@H](B(O)O)C1 1262157288 ZYAWQXDWOQHJMC-MNOVXSKESA-N 290.132 -0.479 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCc1ccc(F)cc1 1318882361 LQWNRPZZBOZRJX-UHFFFAOYSA-N 283.259 -0.128 50 20 CBGD COc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cn1 1321140551 LZSPSEVETFRKTB-UHFFFAOYSA-N 278.268 -0.414 50 20 CBGD N#CCSCC(=O)NNC(=O)Cc1cc[nH]n1 1323811173 IASKKZAILPNVNL-UHFFFAOYSA-N 253.287 -0.644 50 20 CBGD O=C(NN=Cc1nccs1)N[C@@H]1CCS(=O)(=O)C1 1324474192 UCXNKFBPRLENJM-SSDOTTSWSA-N 288.354 -0.037 50 20 CBGD Cn1ncc2c(O)nc(N3CC[C@H](B(O)O)C3)nc21 1331895152 JSEHILAZJTYREB-LURJTMIESA-N 263.066 -0.878 50 20 CBGD C/C=C\C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1331912909 WEPBPQCVPBEMEZ-SKRYNEFJSA-N 261.303 -0.920 50 20 CBGD COc1nn(C)cc1C(=O)NNC(=O)C1CCOCC1 1331955910 ODUGAEZXPZOMFF-UHFFFAOYSA-N 282.300 -0.384 50 20 CBGD CC[C@@H](C(=O)NNC(=O)C1CCOCC1)[C@@H](C)O 1333588906 TVACBBMMBLDPQN-PSASIEDQSA-N 258.318 -0.033 50 20 CBGD Cc1cc(CC(=O)NNC(=O)Cc2cc[nH]n2)no1 1342373900 GKLGFEGWMYWTSW-UHFFFAOYSA-N 263.257 -0.361 50 20 CBGD Cn1nncc1NNC(=O)c1ccc(N2CCCC2)nn1 1343973524 GVVPGZQIWJSVCB-UHFFFAOYSA-N 288.315 -0.038 50 20 CBGD Cc1ncc(C(=O)NNC(=O)CS(C)(=O)=O)s1 1348436051 KCMWURWFOWWYMU-UHFFFAOYSA-N 277.327 -0.743 50 20 CBGD COc1ccnc(NNC(=O)C[C@H]2CC(=O)N2)n1 1350544898 PPMYDTCXOLVLEP-ZCFIWIBFSA-N 251.246 -0.793 50 20 CBGD Cc1nnc(NNC(=O)NC[C@]2(C)CNCCO2)n1C 1579912478 CEDXPZAZXZRJTB-NSHDSACASA-N 283.336 -0.872 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2c[nH]nc2C1)[C@@H]1CCN1 1580733292 RBHCIVCNCIPTJQ-APPZFPTMSA-N 263.301 -0.976 50 20 CBGD CC[C@H](C(=O)O)C(=O)NNC(=O)[C@]1(C)CCCO1 1594755739 QFAOLITVDMEIHU-CPCISQLKSA-N 258.274 -0.186 50 20 CBGD Cn1c(C=NNC(=O)[C@H]2COCCO2)ccc1C(=O)O 1600911964 LXFXGUOPKDUSMQ-SNVBAGLBSA-N 281.268 -0.411 50 20 CBGD NC(=O)C(=O)NN=Cc1ccc(/C=C/C(=O)O)o1 1776015825 KMOTXERCPAFTDY-IJBVVHARSA-N 251.198 -0.687 50 20 CBGD CNC(=O)NNC(=O)c1cccc(NS(C)(=O)=O)c1 49023474 CCXKTNUQLCRCLI-UHFFFAOYSA-N 286.313 -0.368 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2nccnc2N)[nH]n1 151151710 ZBAJNAITDXNBON-UHFFFAOYSA-N 261.245 -0.835 50 20 CBGD CC[C@@H](C(=O)NNC(=O)N1CCOCC1)N(C)C 178669367 FEBQEYXHUOQTHH-VIFPVBQESA-N 258.322 -0.600 50 20 CBGD Cc1ccc(NNC(=O)CN2C(=O)CNC2=O)cc1 192816609 HSYHGTYIOSHOFH-UHFFFAOYSA-N 262.269 -0.010 50 20 CBGD COC(=O)[C@@H](O)CNS(=O)(=O)CCCCCl 229004298 INOQYHAYGOOPOP-ZETCQYMHSA-N 273.738 -0.541 50 20 CBGD COC(=O)NCC(=O)NNc1ccc(OC)cn1 275600602 PRPBPEWLKZDOCY-UHFFFAOYSA-N 254.246 -0.111 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)c1cccc(C)n1 279742209 AYHOHHPVEHZTDL-UHFFFAOYSA-N 265.273 -0.920 50 20 CBGD NC(=O)C1(NC(=O)c2ccc(B(O)O)cc2)CCCCC1 584935556 OYSNSNDIHGHESQ-UHFFFAOYSA-N 290.128 -0.716 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@@H](O)C[C@H](F)C1 585006428 VQKZXSIMZMEXRG-IUCAKERBSA-N 285.055 -0.950 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1)C(=O)N1CCCCC1 585021628 MPRWIEOIOXVTRF-LBPRGKRZSA-N 290.172 -0.143 50 20 CBGD C[C@H](NCc1cccc(B(O)O)c1)[C@H](C)N1CCOCC1 585023895 NGQGAOBOIBACRK-STQMWFEESA-N 292.188 -0.435 50 20 CBGD C[C@H]1C[C@H](NCc2ccc(B(O)O)o2)CN1C1CC1 585027940 BDTDLKRIKZECDV-UWVGGRQHSA-N 264.134 -0.326 50 20 CBGD C[S@](=O)CCCNCc1ccccc1B(O)O 585029737 STEHKNIMQYXLMP-KRWDZBQOSA-N 255.148 -0.775 50 20 CBGD COC[C@H](NCc1ccc(B(O)O)cc1F)[C@@H]1CCCO1 585039456 VFHGAHYEPPXAJZ-KBPBESRZSA-N 297.135 -0.211 50 20 CBGD CCOCCOCc1nc(-c2ccc(B(O)O)cc2)no1 585051094 UFONBDFMIDYQNJ-UHFFFAOYSA-N 292.100 -0.031 50 20 CBGD CSSCCNC(=O)N1CC(O)(C(=O)O)C1 706533088 JSTQJSFWWOOKOC-UHFFFAOYSA-N 266.344 -0.162 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)COc2ccccc2O)C1 730835682 KLMVDOURNYOEJN-JTQLQIEISA-N 293.323 -0.130 50 20 CBGD C[C@H](CS(C)(=O)=O)NC(=O)NNC(=O)C1CCCC1 733662536 LQNMCEDDBVXISS-MRVPVSSYSA-N 291.373 -0.060 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@H]1CCCO1 733952228 ZEXHHKPXLPOWSJ-VHSXEESVSA-N 289.332 -0.453 50 20 CBGD C[C@H]1[C@@H](C)N(CC(=O)NNC(=O)C2CC2)CC[S@@]1=O 736626654 ANRGWCMADOXJJM-MGOSUKFUSA-N 287.385 -0.615 50 20 CBGD C[C@@H](OCc1ccccc1)C(=O)NNC(=O)CO 753438266 CTIAWQHCFDKDPU-SECBINFHSA-N 252.270 -0.269 50 20 CBGD C[C@H](CC(=O)NNC(=O)CO)NC(=O)C1CCCCC1 753445040 DKQWNWSZWHGPOM-SECBINFHSA-N 285.344 -0.399 50 20 CBGD O=C(NNC(=O)c1cnn[nH]1)c1ccc2nc[nH]c2n1 755264497 TWXRGOCARGWDQX-UHFFFAOYSA-N 272.228 -0.849 50 20 CBGD N#Cc1c[nH]c(C(=O)NNC(=O)Cc2cc[nH]n2)c1 755282205 OATDRVUDGVWEEC-UHFFFAOYSA-N 258.241 -0.387 50 20 CBGD CC(C)C(=O)NNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 770749993 RNVVQZOZKORKRD-QMMMGPOBSA-N 293.389 -0.246 50 20 CBGD CO[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)C(C)C 771291910 YGFWDNHXTFBNAP-SECBINFHSA-N 271.317 -0.573 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)c2ccccc2)C1=O 771846749 PYDCXFOFGWTACZ-JTQLQIEISA-N 261.281 -0.074 50 20 CBGD CC(=O)NNS(=O)(=O)c1cc(C(=O)O)cc(F)c1F 775248257 UORPGGINIKFHBO-UHFFFAOYSA-N 294.235 -0.008 50 20 CBGD COCCCNC(=O)NN=Cc1cnc(N)nc1 781587271 CLDVYSLIPAQVIG-UHFFFAOYSA-N 252.278 -0.272 50 20 CBGD CN1CCN(C(=O)NNC(=O)COCC2CC2)CC1 788166478 NNKJADNIUOKJDS-UHFFFAOYSA-N 270.333 -0.599 50 20 CBGD C[C@@H]1OCC[C@]12CN(CC(=O)NNC(=O)C1CC1)CCO2 791588065 AHYDDJWIPJRBSD-HZMBPMFUSA-N 297.355 -0.576 50 20 CBGD CN(NC(=O)[C@@H]1CCN(CC(F)(F)F)C1)C(N)=O 792291162 YULQNNFFLQFTQC-ZCFIWIBFSA-N 268.239 -0.088 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(F)c(C#N)c1 794620260 GFYHCAAHPRURDR-UHFFFAOYSA-N 292.270 -0.017 50 20 CBGD COc1ccccc1-n1nccc1C=NNC(=O)C(N)=O 797398427 SFYVZJILBOFDGB-UHFFFAOYSA-N 287.279 -0.184 50 20 CBGD COc1coc(C(=O)NNC(=O)c2cc(C)[nH]n2)cc1=O 798985433 BZCUUSKIPRONIB-UHFFFAOYSA-N 292.251 -0.245 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)N1CCN(C)CC1 807383259 RQYASYTYRJNZGC-LBPRGKRZSA-N 293.371 -0.928 50 20 CBGD CN(C)S(=O)(=O)CCNC(=O)NNc1ccccn1 811976605 DGWMIEUUGUNDEQ-UHFFFAOYSA-N 287.345 -0.401 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H](C)NS(=O)(=O)CC 823755100 BKTUTIXOYAUUSZ-QMMMGPOBSA-N 294.377 -0.555 50 20 CBGD CSCCNC(=S)NNC(=O)C1(N(C)C)CC1 831575568 OWQUNWVJNLZIKB-UHFFFAOYSA-N 276.431 -0.061 50 20 CBGD CNCCC1CCN(CC(=O)NNC(=O)C2CC2)CC1 843363526 SNQJNTURMIESGD-UHFFFAOYSA-N 282.388 -0.135 50 20 CBGD Cc1nnnn1-c1ccc(C(=O)NNC(=O)N(C)C)cc1 845335682 HEIKZVSESILZTM-UHFFFAOYSA-N 289.299 -0.113 50 20 CBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)NCC1CC1 847390971 PIPISZXMWSYFHM-SFYZADRCSA-N 254.290 -0.762 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@H]2CC[C@H]2C(N)=O)nc1 847616181 KOOWPXBVLKOUHD-BDAKNGLRSA-N 292.295 -0.177 50 20 CBGD C#CC[C@H](CO)NC(=O)/C(C#N)=C\c1cnn(C)c1 854542185 PEXLGZCXDUXKTC-DKRCXCIFSA-N 258.281 -0.173 50 20 CBGD C[C@@H](CC(N)=O)C(=O)NNC(=S)N[C@H](C)C1CC1 855097115 JNUSDBNAROQTBN-NKWVEPMBSA-N 272.374 -0.208 50 20 CBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ncccc1[N+](=O)[O-] 857151862 NUVHLSWFBIJOIW-BQBZGAKWSA-N 279.256 -0.056 50 20 CBGD CC[C@@H](COC)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858240935 VDWNDXWGUIOJGE-JGVFFNPUSA-N 272.305 -0.980 50 20 CBGD C[C@@H](NNC(=O)c1cn(C)c(=O)nc1O)C(F)(F)F 862306730 DEHPPMRZVXBYQM-SCSAIBSYSA-N 280.206 -0.329 50 20 CBGD C[C@@H](NNC(=O)CN1CCOCC1=O)C(F)(F)F 862318288 QOQRVPPLPIEVBG-ZCFIWIBFSA-N 269.223 -0.583 50 20 CBGD CC[C@@H](C(=O)NNC(=O)c1cn[nH]c1)C(=O)OC 862470615 SRAIZRBVOZJCPU-ZETCQYMHSA-N 254.246 -0.630 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1c[nH]nc1C 863185990 KCYDJKMIXFCGAT-UHFFFAOYSA-N 258.303 -0.397 50 20 CBGD O=C(N[C@H]1CCN(CC(F)F)C1)c1ccc(B(O)O)cc1 863884255 FBBBWDUZZOJODS-NSHDSACASA-N 298.098 -0.564 50 20 CBGD COCCOCC(=O)NNC(=O)CCc1ccncc1 869910047 BZFIZTSKCGFWHR-UHFFFAOYSA-N 281.312 -0.175 50 20 CBGD CCOCc1cn([C@H](C)C(=O)NNC(=O)CC)nn1 881292804 GYHVQJFTASYHDC-MRVPVSSYSA-N 269.305 -0.067 50 20 CBGD CN1C(=O)CCC[C@@H]1C(=O)NNC(=O)c1cnn(C)c1 906729696 BQHLVZGYCSVGTH-SECBINFHSA-N 279.300 -0.808 50 20 CBGD Cc1ncc(C(=O)NNC(=O)N2CCN(C)CC2)n1C 908055449 OUSGDRSFUSURTG-UHFFFAOYSA-N 280.332 -0.670 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CNC(=O)N1CCCC1 911503471 VFKXMLBHQCRHMJ-NXEZZACHSA-N 298.343 -0.636 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H]2CCNC[C@@H]2C1 923521638 PJSOSLNCOYTMQW-GARJFASQSA-N 268.361 -0.526 50 20 CBGD CN(C(=O)/C(C#N)=C\c1cnn(C)c1)[C@@H]1COC[C@H]1O 923836317 JXRWPQRRTMMSLZ-VZAOXQLQSA-N 276.296 -0.455 50 20 CBGD O=C(Cc1ccco1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1116290598 LQPWXPVLPWNCEF-MRVPVSSYSA-N 286.309 -0.596 50 20 CBGD CNC(=O)CCCNC(=O)NNC(=O)Cc1cccnc1 1318258214 UYLHGPQPDLLWIH-UHFFFAOYSA-N 293.327 -0.519 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H](C)Oc1ccccc1 1318881936 FDZYNTJORFFVHZ-VIFPVBQESA-N 295.295 -0.043 50 20 CBGD CN(C)C(=O)NNC(=O)c1cccc(OCC(N)=O)c1 1322110752 RSBAPSDPGWOLDQ-UHFFFAOYSA-N 280.284 -0.533 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCCS(C)(=O)=O 1328553098 YNRPICYZLFFHMT-RKDXNWHRSA-N 292.357 -0.616 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2c(F)ccc(O)c2F)N1 1330109904 XYERUNKKENHZFF-LURJTMIESA-N 299.233 -0.290 50 20 CBGD CNC(=O)c1cccc(C(=O)NN(C)[C@H](C)CO)n1 1330262586 WFAQLZMQTXBRRK-MRVPVSSYSA-N 266.301 -0.601 50 20 CBGD O=C(NNc1ccnc(F)c1)c1cnn(C[C@H](O)CO)c1 1330783463 VTSLURQQVHBCSQ-JTQLQIEISA-N 295.274 -0.473 50 20 CBGD C[C@H]1COC[C@@H]1NC(=O)NNC(=O)C1CCOCC1 1332433642 IMNAICAZDYZSTH-WPRPVWTQSA-N 271.317 -0.222 50 20 CBGD CCCn1cc(NC(=O)C(=O)NNC(=O)COCC)cn1 1337973867 IMKZFIHWRZKASB-UHFFFAOYSA-N 297.315 -0.585 50 20 CBGD Cc1ccn2c(=O)c(C(=O)NN(C)C(N)=O)cnc2c1 1341603701 OKLLBUSDNJKSDA-UHFFFAOYSA-N 275.268 -0.342 50 20 CBGD O=C(CCO)NNC(=O)C(=O)Nc1cccc2cc[nH]c12 1342892872 IMNSIADWIYHBCF-UHFFFAOYSA-N 290.279 -0.364 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H](C)c1ncnn1C 1343496389 KYOCPVNUJIKOCP-ZETCQYMHSA-N 270.293 -0.757 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cccc(CO)c1 1347466251 FWISJVRDFHYPGA-UHFFFAOYSA-N 279.296 -0.536 50 20 CBGD O=C(NCCN1CCNC1=O)NNc1cccc(F)n1 1349885069 KGUDZELRUKBFSX-UHFFFAOYSA-N 282.279 -0.128 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@@H]2C[C@@]23CCNC3)n1 1573866077 WYVJDXVLVFJCPL-TVQRCGJNSA-N 276.344 -0.015 50 20 CBGD CC(=O)Nc1ccc(C(=O)NNC(=O)[C@H]2CCN2)cc1F 1575018439 KHPLLIWKZXUZGQ-LLVKDONJSA-N 294.286 -0.093 50 20 CBGD CC(C)[C@@H](N)C(C)(C)C(=O)NNC(=O)CS(C)(=O)=O 1575447120 JWVGLBHXYAPZTR-SECBINFHSA-N 293.389 -0.812 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H](N)Cc2ccncc2)cn1 1579953303 SERBZMLYJWFYFY-NSHDSACASA-N 288.311 -0.854 50 20 CBGD N[C@@H]1CCC[C@@H](NC(=O)c2cc(B(O)O)ccc2F)C1 1580175495 GEBCVLPSXQULRJ-NXEZZACHSA-N 280.108 -0.495 50 20 CBGD CC(C)[C@@H](CNC(=O)NNC(=O)C(=O)O)c1ccnn1C 1590984095 VMPKTZGAHVIHAC-MRVPVSSYSA-N 297.315 -0.425 50 20 CBGD COC(=O)N(C)NS(=O)(=O)c1cc(C(=O)O)n(C)c1 1598876696 YZFGSHJJCKBHHT-UHFFFAOYSA-N 291.285 -0.385 50 20 CBGD C[C@H](C(=O)O)C(=O)NNC(=O)CNC(=O)c1cccs1 1609701024 MFJBCMJYHCSULF-LURJTMIESA-N 299.308 -0.654 50 20 CBGD O=C(Cc1ccccc1C(=O)O)NNC(=O)c1cnn[nH]1 1610676454 ZQXAQAGXFCFGBE-UHFFFAOYSA-N 289.251 -0.493 50 20 CBGD CCN(CC(=O)NNc1ccc(C(N)=O)nn1)C1CC1 153748486 JSBVRWAUIVOWIG-UHFFFAOYSA-N 278.316 -0.497 50 20 CBGD CCN(CCO)CC(=O)NNC(=O)Cc1ccccc1C 155753300 ZNAFBXXCRMAUGF-UHFFFAOYSA-N 293.367 -0.001 50 20 CBGD Cc1cc2ncc(C(=O)NNC(=O)CN(C)C)c(C)n2n1 265099622 WPBSQAFUWLSAHA-UHFFFAOYSA-N 290.327 -0.331 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@H]2CCCC(=O)N2)n1 279863723 VJWXVZTUCZCQPW-SNVBAGLBSA-N 276.296 -0.180 50 20 CBGD O=C1CCCC[C@@H](C(=O)NNC(=O)NCC(F)(F)F)N1 281327066 TXXPMMZMQGYYAA-LURJTMIESA-N 296.249 -0.062 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CC(=O)N(C)C(=O)C1 491108912 YXDONHCMYUJVGS-FPLPWBNLSA-N 251.242 -0.742 50 20 CBGD COCC[C@@H](C)NC(=O)c1cccc(B(O)O)c1 584937613 WKOBLKFDHVKEMD-SECBINFHSA-N 251.091 -0.479 50 20 CBGD O=C(NC[C@H]1CCC[C@@H]1O)c1ccc(B(O)O)c(F)c1 584955959 SEIMFCQCWLOTDL-SKDRFNHKSA-N 281.092 -0.604 50 20 CBGD CCC(=O)N[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584972570 AHSIYLQPKLXWJP-LBPRGKRZSA-N 290.128 -0.893 50 20 CBGD CC[C@H]1[C@@H](CO)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584995024 HJWTXUFKPWBHBS-MFKMUULPSA-N 295.119 -0.262 50 20 CBGD C[C@H]1[C@@H](CO)CCCN1C(=O)c1ccc(B(O)O)cc1 584999633 GOAIYRNYZFZHRL-CMPLNLGQSA-N 277.129 -0.401 50 20 CBGD OCCCSCCNCc1ccc(B(O)O)cc1F 585022202 UTUXPUCSPHVNGR-UHFFFAOYSA-N 287.165 -0.289 50 20 CBGD O=S1(=O)CCC[C@H](NCc2ccccc2B(O)O)C1 585025449 UQBXRFVRFLDRMC-NSHDSACASA-N 283.158 -0.967 50 20 CBGD CSCC[C@H](CO)NCc1ccc(B(O)O)cc1 585030746 YVAMPVCMHMBCSE-GFCCVEGCSA-N 269.175 -0.430 50 20 CBGD O=C1[C@H](NCc2ccc(B(O)O)cc2)C[C@@H]2CCCCN12 585044724 RBZXAITZEYPPOD-UONOGXRCSA-N 288.156 -0.391 50 20 CBGD COc1ccccc1S(=O)(=O)N1CC[C@@H](B(O)O)C1 585060975 NBGDROMQQXIDCO-SECBINFHSA-N 285.130 -0.067 50 20 CBGD O=C(CNC(=O)c1cccs1)NNC(=O)c1cn[nH]c1 725740291 SRLZBUMHQZNKFH-UHFFFAOYSA-N 293.308 -0.338 50 20 CBGD CCOC(=O)CN(C)CC(=O)NNC(=O)C(C)(C)C 744391195 SBJQELQBBMMDLA-UHFFFAOYSA-N 273.333 -0.325 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)Cc2ccncc2)C1 747428149 GWXGORXICYMLEW-NSHDSACASA-N 262.313 -0.277 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1CC12CCOCC2 748848735 WFZGFOVYEZAOST-SECBINFHSA-N 255.318 -0.488 50 20 CBGD Cn1cnn(CC(=O)NNc2ncccc2[N+](=O)[O-])c1=O 781429797 SHQCAMXVPNSQSX-UHFFFAOYSA-N 293.243 -0.972 50 20 CBGD COC/C=C\C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 792853326 DBULNWMYLPSUEI-LWTINBJPSA-N 276.358 -0.319 50 20 CBGD COCCCNC(=O)NNC(=O)CCc1ccn(C)n1 794248530 YLNCCFHDCZGCGB-UHFFFAOYSA-N 283.332 -0.280 50 20 CBGD NC(=O)C(=O)NN=C1CCOc2cc(F)ccc21 794858531 MTPJFIYKCNNFLQ-UHFFFAOYSA-N 251.217 -0.086 50 20 CBGD CO[C@@H](C)CS(=O)(=O)NNC(=O)Cc1cccnc1 800835673 AMNUDWCURDFEFK-VIFPVBQESA-N 287.341 -0.390 50 20 CBGD CNC(=O)NCCC(=O)NN=c1cc[nH]cc1Cl 816125661 HIIDAHBVZOXKBS-UHFFFAOYSA-N 271.708 -0.081 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1CCc2cncn2C1 823815936 MTFMHTBMTIRFBG-SNVBAGLBSA-N 295.343 -0.188 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCNC(=O)C1(C)C 827829015 IFLMLMRWOYTKLC-UHFFFAOYSA-N 270.333 -1.000 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@](O)(CC#N)C1 829991060 CJWPGWLJJZIPPA-SMDDNHRTSA-N 296.371 -0.081 50 20 CBGD COc1ccc(OCC(=O)NNC(=O)NC[C@@H](C)N)cc1 841983981 GWZAKEFNBSYXHD-SECBINFHSA-N 296.327 -0.248 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1csnn1 843971593 CQCUEOOQKLYJJJ-PHDIDXHHSA-N 256.287 -0.276 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)c1ncc[nH]1 854388797 YPQJPAFJXNSUJB-UHFFFAOYSA-N 270.289 -0.040 50 20 CBGD COc1nccnc1NNC(=O)C[C@@H]1CCC(=O)N1C 854953025 REQAMILUBAFHMT-QMMMGPOBSA-N 279.300 -0.061 50 20 CBGD O=C(NNC(=S)NCC1CCC1)C1(O)CCOCC1 855089411 PZTKGFBPOTZISD-UHFFFAOYSA-N 287.385 -0.177 50 20 CBGD O=C(NNc1ncncc1Cl)[C@]1(O)CCOC1 857491690 VLMPYTAIWFVOCI-VIFPVBQESA-N 258.665 -0.276 50 20 CBGD CCOC(=O)NNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 858112169 HGVKINBYKRSFBF-QMMMGPOBSA-N 293.345 -0.565 50 20 CBGD CCO[C@@H](CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(C)C 862457162 BVPVNOQDOMNWGR-UWVGGRQHSA-N 285.344 -0.136 50 20 CBGD CC[C@H](NC(C)=O)C(=O)NNC(=O)[C@@H]1CCCCO1 868619738 RVPDKIQXLYKMKS-UWVGGRQHSA-N 271.317 -0.382 50 20 CBGD CCn1cc(C(=O)NNC(=O)CN2CCCC2=O)c(C)n1 913730264 OEZDCLZSOHXLJN-UHFFFAOYSA-N 293.327 -0.405 50 20 CBGD CC(C)C1(C(=O)NNC(=O)C(=O)N2CCCC2)COC1 931247948 NMHVNEULYQYOHT-UHFFFAOYSA-N 283.328 -0.571 50 20 CBGD COc1cnc(C(=O)NNC(=O)NCC(F)(F)F)nc1 1117760086 MEEWXVYEVHEBFD-UHFFFAOYSA-N 293.205 -0.009 50 20 CBGD C=CCNC(=S)NNC(=O)c1c[nH]c(C(N)=O)c1 1256496623 OISXCDVNSBZANT-UHFFFAOYSA-N 267.314 -0.592 50 20 CBGD CCS(=O)(=O)CC(=O)NNc1ncc(F)cn1 1319646509 KYNOFOPZPCIKMQ-UHFFFAOYSA-N 262.266 -0.507 50 20 CBGD Cn1ncc(C(=O)NNC(=O)NCc2ccco2)c1N 1320158645 MPJVBPYOSLHKLK-UHFFFAOYSA-N 278.272 -0.261 50 20 CBGD COCCONC(=O)NNc1ccc(-n2cccn2)nn1 1322287566 XKPABPGYMMCHTG-UHFFFAOYSA-N 293.287 -0.134 50 20 CBGD Cc1nnc(CNC(=O)NNc2ncncc2F)n1C 1324885136 WWOIRWMRCBIONL-UHFFFAOYSA-N 280.267 -0.121 50 20 CBGD C[C@H](CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)C(=O)O 1327680815 SPUWJLRUGZLCBO-XCBNKYQSSA-N 293.345 -0.912 50 20 CBGD Cn1cc([C@@H](O)C(=O)NNC(=O)OCC(F)(F)F)cn1 1328420672 FGERXUVDSFOFAK-ZCFIWIBFSA-N 296.205 -0.227 50 20 CBGD CCNC(=O)NNC(=O)CCc1nc(N(C)C)no1 1338502346 WUNXGYIZNKUZSE-UHFFFAOYSA-N 270.293 -0.582 50 20 CBGD CN(C)Cc1cc(C(=O)NNC(=O)c2cnn(C)c2)no1 1342099913 UQLWLTOWOOOESF-UHFFFAOYSA-N 292.299 -0.456 50 20 CBGD C[C@@H](C(=O)NNc1ncncc1F)N1C(=O)CCC1=O 1347729953 XUEQQWPYLKSIOA-LURJTMIESA-N 281.247 -0.404 50 20 CBGD C[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)[C@H]1CCC(=O)N1 1351381894 PJLGGAQTAFMYPP-IONNQARKSA-N 279.300 -0.986 50 20 CBGD CN(C)CCCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1351626665 AEMVOMTYJXVDFG-VIFPVBQESA-N 270.333 -0.856 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2cccc(O)c2)N1 1352360710 MYJGZFMZXLAVDN-JTQLQIEISA-N 292.295 -0.499 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCN[C@@H]([C@H]2CCCO2)C1 1575378107 JGKMUYOQLFOUHU-GMTAPVOTSA-N 299.371 -0.548 50 20 CBGD C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)NNC(=O)C(=O)O 1594278811 WMPBPWQXLGWWTC-OOJXKGFFSA-N 255.274 -0.307 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(=O)O)cn1 1594644789 NQFHYROKWGKCMX-CBAPKCEASA-N 293.279 -0.034 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCC[C@H]1CC(=O)O 1598684084 HLPMRMVZWQORJH-NKWVEPMBSA-N 287.272 -0.867 50 20 CBGD Cn1nncc1NNC(=O)c1cc(C(=O)O)co1 1601044512 ADUKTZYIUHPMCL-UHFFFAOYSA-N 251.202 -0.137 50 20 CBGD N#Cc1ncn(CC(=O)NNc2cccc(C(=O)O)c2)n1 1601134885 AWXKFHTXTFAYSD-UHFFFAOYSA-N 286.251 -0.009 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1C[C@@H](C(=O)O)C1 1604833150 AZBMNZHOYHFQDG-HXFLIBJXSA-N 270.285 -0.330 50 20 CBGD Cc1cc(-c2nn[nH]n2)cnc1C(=O)NNC(=O)N(C)C 1605552876 YIUYMLBREOOQJM-UHFFFAOYSA-N 290.287 -0.514 50 20 CBGD CS(=O)(=O)CC(=O)NN=Cc1csc(C(=O)O)c1 1776097210 RPXHURGJYLLAOD-UHFFFAOYSA-N 290.322 -0.059 50 20 CBGD CNC(=O)NNC(=O)Cn1ccc(C(F)(F)F)n1 53919192 RGYUGNRPESVCJM-UHFFFAOYSA-N 265.195 -0.138 50 20 CBGD O=S(=O)(CBr)NCCn1ccnn1 159649644 OZSCVBOUHVTZBU-UHFFFAOYSA-N 269.124 -0.450 50 20 CBGD CCOCCNC(=O)NNC(=O)Cc1ccncc1 177388466 JSZKSEFUGYOGAG-UHFFFAOYSA-N 266.301 -0.009 50 20 CBGD CN1C[C@@H](NC(=O)NNC(=O)CC(C)(C)C)CC1=O 267519145 TZZKENRQYMWNCZ-QMMMGPOBSA-N 270.333 -0.016 50 20 CBGD C=CCNC(=S)NNC(=O)CNC(=O)OCC 281373437 WTMLRLQCYURASZ-UHFFFAOYSA-N 260.319 -0.586 50 20 CBGD COC(=O)N(C)NC(=O)Cc1ccc(-n2cnnn2)cc1 286440950 RQJHJVOEMRILDH-UHFFFAOYSA-N 290.283 -0.066 50 20 CBGD COCC(=O)NNC(=O)CNc1ccccc1OC 298097681 WTKMARXFMZZZMJ-UHFFFAOYSA-N 267.285 -0.099 50 20 CBGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@@H]1CCOC1 299698628 UODNEEJFKUGVGW-MRVPVSSYSA-N 297.336 -0.338 50 20 CBGD O=S(=O)(CBr)N[C@H]1COC[C@H]1O 306397431 IZAKTERJVVJVRB-CRCLSJGQSA-N 260.109 -0.982 50 20 CBGD COC(=O)N(C)NC(=O)[C@H]1CN2CCCN1CC2 375986090 RHGXUSQHBYZRLI-SECBINFHSA-N 256.306 -0.894 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CCC(O)(C(=O)OC)CC1 491138854 ZYSAJYYBNHTGJE-KTKRTIGZSA-N 282.296 -0.043 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=O)NCC(F)(F)F 494714381 ZOUSJTBLDBSJNH-UHFFFAOYSA-N 286.210 -0.423 50 20 CBGD CCN1CCC[C@H]1CNC(=O)c1cc(B(O)O)ccc1F 584925871 RKGWAFDGNTUNOB-NSHDSACASA-N 294.135 -0.280 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N(CCO)C1CC1 584958980 AEMYQXJAZQLVQH-UHFFFAOYSA-N 267.065 -0.898 50 20 CBGD C[C@H]1OCC[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584967887 CKGAZJQXYBTKKC-HQJQHLMTSA-N 267.065 -0.587 50 20 CBGD C[C@@]1(O)CCCN(C(=O)c2ccc(B(O)O)cc2)CC1 584985745 PXSGULFFQRPKNF-CQSZACIVSA-N 277.129 -0.257 50 20 CBGD CO[C@H](CNC(=O)c1cc(B(O)O)ccc1F)C1CC1 584994361 HNLNZJPPDSMNMN-GFCCVEGCSA-N 281.092 -0.340 50 20 CBGD CO[C@H](CNC(=O)c1ccc(B(O)O)c(F)c1)C1CC1 584994670 MQPAIWZGGMHZPD-GFCCVEGCSA-N 281.092 -0.340 50 20 CBGD C[C@@]12COC[C@@H]1CN(C(=O)c1ccc(B(O)O)c(F)c1)C2 585008881 XZBIQBOLVFIIRM-IINYFYTJSA-N 293.103 -0.386 50 20 CBGD C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@]1(C)CO 585009204 SDYKUQUQONPPRV-IINYFYTJSA-N 277.129 -0.543 50 20 CBGD CSC[C@](C)(O)CNCc1ccc(B(O)O)cc1F 585024817 DHOCWPNALAJBSN-GFCCVEGCSA-N 287.165 -0.291 50 20 CBGD O=S(=O)(NCB(O)O)c1c(Cl)ccnc1Cl 585055642 FYFAFODAEVBEEJ-UHFFFAOYSA-N 284.917 -0.321 50 20 CBGD O=C(NCB(O)O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 585059878 DTJMCTZRKFSNAE-UWVGGRQHSA-N 277.085 -0.311 50 20 CBGD O=C(NCB(O)O)[C@@H]1CCCN1Cc1ccccc1 585060105 NCMKJUSFLLTAMZ-LBPRGKRZSA-N 262.118 -0.221 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)NC1CC1 732062178 BBFRDKYQVJXEKP-JTQLQIEISA-N 250.302 -0.423 50 20 CBGD CN1CCN(C)[C@H](CNC(=O)NNC(=O)CC(C)(C)C)C1 732254120 UCADCEHMIFLYBE-LLVKDONJSA-N 299.419 -0.001 50 20 CBGD CCCN(CC(=O)NNC(=O)C1CC1)CC(=O)OCC 733194844 QXZYOUGBOBBUIR-UHFFFAOYSA-N 285.344 -0.181 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@H]2C[C@@H]2C(=O)O)n1 737383394 DQGQOCVTBIXVOH-BQBZGAKWSA-N 265.273 -0.294 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)Cn1cc(C)cn1 740853030 RYJNRGIZEHSHKV-UHFFFAOYSA-N 295.343 -0.356 50 20 CBGD Cc1noc(OCC(=O)NNC(=O)C(C)(C)C)n1 742452294 XSJWIOKHZDPFKO-UHFFFAOYSA-N 256.262 -0.050 50 20 CBGD O=C(NNC(=S)NCC1CCC1)[C@H]1COCCO1 745173301 MXDCDHMYFWNKKC-SECBINFHSA-N 273.358 -0.303 50 20 CBGD O=C(COCC(F)(F)F)NNC(=O)N1CCOCC1 745986631 ZUINCGKDBMZTMA-UHFFFAOYSA-N 285.222 -0.362 50 20 CBGD CC(=O)N[C@@H](CC(=O)NNc1cc(C)ccc1F)C(N)=O 748786027 WYJVZQUPIDFBGN-NSHDSACASA-N 296.302 -0.043 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)N[C@H]1CCOC1 752257385 VOBIBLDCQFYNHH-JTQLQIEISA-N 264.285 -0.257 50 20 CBGD O=C(CO)NNC(=O)Nc1ccn(-c2ncccc2F)n1 757783092 SEFWCMJZURDNSR-UHFFFAOYSA-N 294.246 -0.449 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@H]1O 768771242 TYJZPEGSRFFDRC-DTWKUNHWSA-N 257.334 -0.508 50 20 CBGD CCNC(=O)N(C)NC(=O)CC1(CS(C)(=O)=O)CC1 770548156 AHQDQSJRKBEXEN-UHFFFAOYSA-N 291.373 -0.106 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H](NC(C)=O)C(C)C 770548852 KEJZQENZJAPCCT-SECBINFHSA-N 258.322 -0.160 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCN(C)C(=O)C1 771976039 VIVAXGRONIXUFI-IUCAKERBSA-N 299.327 -0.656 50 20 CBGD COCCC1(C(=O)NNC(=O)N2CCN(C)CC2)CC1 773656995 GQHQBGKWFVLWRK-UHFFFAOYSA-N 284.360 -0.209 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)Cn2cccnc2=O)n1 773860245 FEMRDYOQSXZOGL-UHFFFAOYSA-N 295.690 -0.588 50 20 CBGD C[C@H](O)[C@@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)C1 780354083 KBMDVGCCXZETBT-VHSXEESVSA-N 271.361 -0.117 50 20 CBGD COCC(=O)NN=C(CS(=O)(=O)N(C)C)C(C)C 794918283 GCZNLXNMIXSNAU-UHFFFAOYSA-N 279.362 -0.348 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H](OC)c1cnn(C)c1 798930950 DRFKLBOINNEOHT-SNVBAGLBSA-N 299.331 -0.526 50 20 CBGD CN(NC(=O)c1cc(S(N)(=O)=O)cn1C)C1CC1 819643677 JPYSMWQOMCNDRQ-UHFFFAOYSA-N 272.330 -0.589 50 20 CBGD CCN(CCO)NC(=O)c1cc(=O)c(OC)co1 823884583 ALEHGCZLUNRDJM-UHFFFAOYSA-N 256.258 -0.393 50 20 CBGD Cc1c(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)nnn1C 831865440 ICUHYPXEIWZQAW-SFYZADRCSA-N 282.304 -0.299 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=S)NC[C@H]1CCOC1 843276564 DILVXGBBIYLBCR-AEJSXWLSSA-N 287.385 -0.057 50 20 CBGD COC(=O)Cc1ccc(NNC(=O)[C@@]2(O)CCOC2)cc1 846376544 AJDDHBQGUAFZEM-CQSZACIVSA-N 294.307 -0.003 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccc(OCC(N)=O)cc1 854927756 GAMPYRCFHYCXFR-UHFFFAOYSA-N 296.352 -0.368 50 20 CBGD O=C(CN1CCCNC1=O)NNC(=O)c1cccc(F)n1 856422067 NAJYNXGWIKJHPX-UHFFFAOYSA-N 295.274 -0.603 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2ncncc2C1)c1cn[nH]c1 862469461 KSNOAUMBXQXVJH-QMMMGPOBSA-N 286.295 -0.234 50 20 CBGD O=C(NNC(=O)[C@]12CCC(=O)N1CCS2)c1cn[nH]c1 862473034 BDDVBDNWULNHOL-LLVKDONJSA-N 295.324 -0.764 50 20 CBGD COCCOCC(=O)NN=C(C)c1ccnn1C 872400881 WNZPHJPBYUETTN-UHFFFAOYSA-N 254.290 -0.077 50 20 CBGD CN1C[C@@H](C(=O)NNC(=S)Nc2ccccn2)CC1=O 874956977 WESGGWKKSLNBOI-QMMMGPOBSA-N 293.352 -0.123 50 20 CBGD COC[C@@](C)(CO)N[C@@H](C)C(=O)NNC(=O)CC(C)C 879161710 DFUQQZJZPVVFPJ-GXFFZTMASA-N 289.376 -0.445 50 20 CBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNC(=S)NC(C)(C)C 899995932 JWISZTFFIDJZHF-PHDIDXHHSA-N 274.346 -0.223 50 20 CBGD CN(C)CCNC(=S)NNC(=O)C1CCOCC1 905569932 VYAXXGCOVKMCNF-UHFFFAOYSA-N 274.390 -0.530 50 20 CBGD C[C@@]1(C(=O)NCCOCC(N)=O)C[C@H]1Br 906996397 DQNGMXJBUUYNQT-HZGVNTEJSA-N 279.134 -0.222 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1nn(C)c(=O)c2ccccc12 910182142 GBKCGUALXGFEQH-SECBINFHSA-N 290.323 -0.109 50 20 CBGD C[C@@H]1NC(=O)[C@@H](C)N(C(=O)c2cccc(B(O)O)c2)[C@H]1C 911776378 BARCOCYWMRJTAJ-LPEHRKFASA-N 290.128 -0.896 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)C1=CCCCO1 913731529 MCNFLFCQMRTHLA-UHFFFAOYSA-N 267.285 -0.550 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1ccc(O)nn1 1115816337 WUDQHNNRLJIAAN-UHFFFAOYSA-N 261.241 -0.405 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCn2ccnc2C1 1116701509 ZQVFCBPCVDIXEU-SECBINFHSA-N 281.316 -0.435 50 20 CBGD O=C(NNc1ccncn1)C1(CO)CCOCC1 1118834884 GKWUBWYVJIHFKA-UHFFFAOYSA-N 252.274 -0.291 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H](C)c1c(C)noc1C 1253536842 XWFZWYIRXLAPPJ-ZCFIWIBFSA-N 298.299 -0.102 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)[C@]3(C)CCOC3)nc21 1254697877 UXUIPYRJNNVFJZ-GFCCVEGCSA-N 292.299 -0.061 50 20 CBGD C=CCCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1318163327 YGNNVXRVBDMJQF-QMMMGPOBSA-N 260.315 -0.465 50 20 CBGD CCN1CCCC[C@@H]1CNC(=O)NNC(=O)C(=O)OC 1318876999 NYZNOUOADMFAME-SECBINFHSA-N 286.332 -0.636 50 20 CBGD CCOCCCC(=O)NNC(=O)C(=O)Nc1ccccn1 1319268137 LJRAHXSCURDEDE-UHFFFAOYSA-N 294.311 -0.016 50 20 CBGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccccn1 1319610847 ZVJRTDRFYXEAJY-MRVPVSSYSA-N 278.268 -0.654 50 20 CBGD COc1c(O)nc(O)nc1C(=O)NNC(=O)C1CC1 1321014964 XFKDLRHJOJOOML-UHFFFAOYSA-N 268.229 -0.933 50 20 CBGD Cc1nc(Cn2cc(C(=O)NNC(=O)C3CC3)nn2)no1 1321046558 KMGNNSCMDIXEIA-UHFFFAOYSA-N 291.271 -0.811 50 20 CBGD Cc1nn(CCCl)c(C)c1C(=O)NC[C@H](O)C(N)=O 1323610576 STQXKQYQWSSINB-QMMMGPOBSA-N 288.735 -0.685 50 20 CBGD CC(F)(F)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1324214716 XCQHMXAIDPIZKM-YFKPBYRVSA-N 285.272 -0.841 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)Cc2cc[nH]n2)CCC1 1325353002 XCLSIFNJSUPYBG-UHFFFAOYSA-N 279.300 -0.984 50 20 CBGD O=C(CCO)NNC(=O)Nc1ccc2c(c1)OCO2 1325575343 WFXWDEBUPAHRHT-UHFFFAOYSA-N 267.241 -0.050 50 20 CBGD O=C(CCN1CCCC1=O)NNC(=O)C1CCOCC1 1331291493 YSPIBDMTYBULRS-UHFFFAOYSA-N 283.328 -0.427 50 20 CBGD O=C(NNC(=O)C1(F)CCNCC1)c1cnsn1 1580733363 SQQKKCLLLKMQFA-UHFFFAOYSA-N 273.293 -0.609 50 20 CBGD O=C(O)C1=NO[C@H](C(=O)NNc2ccnc(F)c2)C1 1594889909 NYUJXUYANHIZSO-ZETCQYMHSA-N 268.204 -0.107 50 20 CBGD CS[C@H]1CC[C@@H](NC(=O)NNC(=O)C(=O)O)C1 1599788430 VFQILJIMBQYZKG-RITPCOANSA-N 261.303 -0.315 50 20 CBGD CSCCNC(=S)NNC(=O)[C@H](C)CC(=O)O 1599801039 NQOPASNXDSWZOO-ZCFIWIBFSA-N 279.387 -0.045 50 20 CBGD CC[C@H](C)[C@@H](NNC(=O)[C@@H]1COCCO1)C(=O)O 1604942621 CGODMFBZVUHNLO-XHNCKOQMSA-N 260.290 -0.478 50 20 CBGD O=C(NNC(=O)N1CCO[C@@H](C(=O)O)C1)C1CCCC1 1605815684 PYMVXMCWNJNMOC-SECBINFHSA-N 285.300 -0.297 50 20 CBGD COC(=O)c1occc1C=NNC(=O)NCC(=O)O 1610220598 LWOFXHJFQGTAPB-UHFFFAOYSA-N 269.213 -0.216 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)c2ccc(Cl)nc2)C1 81263843 MTDHWHAPGIHMAL-SECBINFHSA-N 298.730 -0.173 50 20 CBGD CCN(CCO)[C@H](C)C(=O)NNC(=O)CC(C)C 111200514 VWLARYVZPLPZMB-SNVBAGLBSA-N 259.350 -0.117 50 20 CBGD COC(=O)[C@@H](CO)NS(=O)(=O)CCCCCl 162537964 VACDHJQPSUIFQF-SSDOTTSWSA-N 273.738 -0.541 50 20 CBGD CN1CC[C@@H](NS(=O)(=O)CBr)C1=O 227979524 RWJKHRNVLMQKKX-RXMQYKEDSA-N 271.136 -0.511 50 20 CBGD COCC(=O)N(C)CC(=O)NNC(=O)NCc1ccco1 270245408 DOGIKNITPBMYOU-UHFFFAOYSA-N 298.299 -0.785 50 20 CBGD COC(=O)COc1cccc(C(=O)NN(C)C(N)=O)c1 272247144 YNHJBUVKCNKIPO-UHFFFAOYSA-N 281.268 -0.106 50 20 CBGD CC[S@](=O)CC(=O)NNC(=O)c1cccn1C 278543948 GDZIHSLXZORSMF-KRWDZBQOSA-N 257.315 -0.445 50 20 CBGD Cn1ccnc(NNC(=O)[C@@H]2CCCN2C2CC2)c1=O 278754480 SGLHYVAPOHQFPQ-JTQLQIEISA-N 277.328 -0.150 50 20 CBGD CC[C@H](C)[C@H](NC(C)=O)C(=O)NNC(=O)N(C)C 285079965 FUZZDGRNLARQCB-CBAPKCEASA-N 258.322 -0.160 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ncn(C(C)(C)C)n1 291758367 UJIMQPSDIRNWLR-UHFFFAOYSA-N 268.321 -0.644 50 20 CBGD CCNC(=O)[C@@H](C)NC(=O)NNC(=O)C(C)(C)C 298665333 SKOXUVWVJPNJIL-SSDOTTSWSA-N 258.322 -0.113 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)c2ccncc2)C1 363134246 FCPWTHBISUJKSR-NSHDSACASA-N 278.312 -0.437 50 20 CBGD CCOC(=O)NNC(=S)NCC(=O)NC(C)C 491043063 ZRYLRJSWBYERSZ-UHFFFAOYSA-N 262.335 -0.364 50 20 CBGD C[C@@H](C#N)CN(C)C(=O)c1ccc(B(O)O)c(F)c1 584933320 CNUHCEIAWUBBAS-QMMMGPOBSA-N 264.065 -0.263 50 20 CBGD O=C(NCC1(CO)CCCC1)c1cc(B(O)O)ccc1F 584977307 LTTOYRNSJXCPSJ-UHFFFAOYSA-N 295.119 -0.212 50 20 CBGD CCOCCOCCN(C)C(=O)c1ccc(B(O)O)cc1 584980047 OQIFHWDISJLOMR-UHFFFAOYSA-N 295.144 -0.509 50 20 CBGD N#CC1(F)CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584988107 DOTTVMYNQAIRTD-UHFFFAOYSA-N 276.076 -0.166 50 20 CBGD Cn1cncc1[C@@H]1C[C@H]1NC(=O)c1ccc(B(O)O)cc1 584997183 XQXLYJOKFADQDF-VXGBXAGGSA-N 285.112 -0.614 50 20 CBGD C[C@H](CO)C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 585003025 KCWPQNLMCYSXLD-LLVKDONJSA-N 291.156 -0.153 50 20 CBGD CCCC(=O)N1CCC(NCc2ccc(B(O)O)o2)CC1 585022703 WYODZHNMNXSCED-UHFFFAOYSA-N 294.160 -0.160 50 20 CBGD OCCCN1CCC[C@H]1CNCc1ccccc1B(O)O 585043794 RQRLTTADFDOZMM-AWEZNQCLSA-N 292.188 -0.697 50 20 CBGD CC[C@@H](NCc1ccc(B(O)O)o1)[C@H](O)C(F)F 585044067 YFJCQYQCQPIFFF-APPZFPTMSA-N 263.049 -0.546 50 20 CBGD COc1ccc(OC)c(CC(=O)NCB(O)O)c1 585057449 DZNWTHHLDTYCBR-UHFFFAOYSA-N 253.063 -0.626 50 20 CBGD O=C(NCB(O)O)[C@@H](c1ccccc1)n1cccn1 585059415 MTISVEUQIUTHRB-LLVKDONJSA-N 259.074 -0.399 50 20 CBGD CCOC(=O)/C(C#N)=C/Nc1n[nH]c(C(=O)O)n1 737129287 HDABUVKOWKDKKZ-SNAWJCMRSA-N 251.202 -0.115 50 20 CBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CC2)s1 745476029 KVACWEMOBIKISG-UHFFFAOYSA-N 289.338 -0.434 50 20 CBGD CCCN(CCC)C(=O)CCC(=O)NNC(=O)CO 753444689 AKNUDQFMJDBTML-UHFFFAOYSA-N 273.333 -0.445 50 20 CBGD COCC(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)CO2 755513249 CRLWSHAAHJBEQH-UHFFFAOYSA-N 294.267 -0.183 50 20 CBGD CCOC(=O)[C@@H]1CCC(=NNC(=O)C(N)=O)[C@@H](C)C1 761250482 BFGARHAVNSWWHN-JGVFFNPUSA-N 269.301 -0.057 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1CCC(=O)N1C 764463852 JQJUQTBFIIDUMN-ZETCQYMHSA-N 265.273 -0.451 50 20 CBGD CN(NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(N)=O 770436811 VEZJWDQHQMQJGB-UHFFFAOYSA-N 276.252 -0.432 50 20 CBGD O=C(NNC(=O)C1(O)CCOCC1)c1ccccc1 771843999 DQTRTBVGVZAQLF-UHFFFAOYSA-N 264.281 -0.011 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](CC)OC 772064507 NPDNIGDGOJLPJZ-HTQZYQBOSA-N 260.290 -0.100 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1ccc(C(N)=O)cc1 775463702 HKRFSQOOYZKZGT-UHFFFAOYSA-N 279.300 -0.500 50 20 CBGD CC(=NNC(=O)CO)c1ccc(-n2cnnn2)cc1 776780809 NXJNQLANAOKHRC-UHFFFAOYSA-N 260.257 -0.505 50 20 CBGD CC(=NNC(=O)CO)c1cccc(NS(C)(=O)=O)c1 776784256 XXORVGPPTSWBSK-UHFFFAOYSA-N 285.325 -0.109 50 20 CBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NN(C)C(N)=O)C1 778417540 VQDRKCIJQWVPOC-MRVPVSSYSA-N 292.361 -0.910 50 20 CBGD COC(=O)Cc1cccc(C(=O)NNC(=O)CN(C)C)c1 779379546 KPTKCZMXMWGDOS-UHFFFAOYSA-N 293.323 -0.275 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(C(C)C)C(=O)C1 780377096 CJFUPSWYWIZZNJ-SNVBAGLBSA-N 284.360 -0.515 50 20 CBGD Cn1ccc2cccc(NC(=O)C(=O)NNC(=O)CO)c21 788332987 JHRIHJHYMJGVHG-UHFFFAOYSA-N 290.279 -0.744 50 20 CBGD CN(C)C(=O)NNC(=O)CN1CCc2ccccc2C1=O 788743858 YWNQBBYBNPTIOM-UHFFFAOYSA-N 290.323 -0.013 50 20 CBGD O=C(CO)NNC(=O)Nc1cccc(C2OCCO2)c1 808850499 HZGZEYJXNFDMEE-UHFFFAOYSA-N 281.268 -0.123 50 20 CBGD CSCCNC(=S)NNC(=O)[C@H]1C[C@@H](O)C1 821492437 SJOXWCHEDKHKPU-KNVOCYPGSA-N 263.388 -0.384 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccnc(OC)n1 822546917 CIHOOSCSQBTILF-UHFFFAOYSA-N 255.303 -0.434 50 20 CBGD CC(C)CS(=O)(=O)CCC(=O)NN(C)[C@@H](C)CO 823971767 ZEGRJIIAKADPHR-JTQLQIEISA-N 280.390 -0.209 50 20 CBGD COC[C@](C)(O)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 826148915 UDBZYFWNQVLLTD-LBPRGKRZSA-N 292.299 -0.293 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](O)c1cccnc1 843973562 YRLXEBRXGJCWPR-INTQDDNPSA-N 279.296 -0.313 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCCC(=O)N(C)C 843980269 SDIQKUCVIMHSDU-NXEZZACHSA-N 285.344 -0.183 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)Cc1cnc[nH]1 852287844 HWBABEDUBSJAHV-QMMMGPOBSA-N 253.306 -0.213 50 20 CBGD O=C(NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)C(=O)NC1CC1 858167817 IYOJYWKETQNNKC-RWMBFGLXSA-N 299.330 -0.002 50 20 CBGD C[C@]1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCOC1 858217067 JPPSAYFAOROWPX-PRHODGIISA-N 284.316 -0.978 50 20 CBGD CON(C)C(=O)[C@@H](C)NC(=O)NNc1cccnn1 858989515 FIOPKLLODBTKNU-SSDOTTSWSA-N 268.277 -0.489 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CC23CCSCC3)N1 862461853 RUWAMNPLBOPKBC-RKDXNWHRSA-N 297.380 -0.054 50 20 CBGD CON1CCC(=NNC(=O)[C@@H]2CCC(=O)N2)CC1 863151805 UPGOVTWAIRLILB-VIFPVBQESA-N 254.290 -0.606 50 20 CBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)C(C)(C)n1cncn1 863153243 PZKBWDKQIKMCGT-VIFPVBQESA-N 278.316 -0.216 50 20 CBGD COC(=O)C[C@@H](NC(=O)c1cccc(B(O)O)c1)C1CC1 863876635 IOWMYWOLNOALAF-GFCCVEGCSA-N 291.112 -0.562 50 20 CBGD CCOC(=O)CN(C)C(=O)c1ccc(B(O)O)cc1 865027375 NHAOFNOLIIYRDF-UHFFFAOYSA-N 265.074 -0.999 50 20 CBGD O=S(=O)(NCC(Cl)Cl)N1CCOCC1 867471445 KDCUUTFWIWAYAO-UHFFFAOYSA-N 263.146 -0.043 50 20 CBGD CCCN(C)CC(=O)NNC(=O)Cc1cc(C)[nH]n1 869012140 HOJVOYHTZXUNMB-UHFFFAOYSA-N 267.333 -0.250 50 20 CBGD COC(=O)N(C)NC(=O)NCCOC[C@H]1CCOC1 875265755 PNXIJVFWXRGJMZ-VIFPVBQESA-N 275.305 -0.048 50 20 CBGD CC(C)(C(=O)NNC(=O)C1CCOCC1)N1CCOCC1 883068626 BMHPAKBAPOLIPW-UHFFFAOYSA-N 299.371 -0.329 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)OC(C)(C)C)C1=O 899925761 LZWHZRHEXSWDRA-ZETCQYMHSA-N 273.289 -0.601 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C 903881452 FAKSDKFUDMFQTH-UHFFFAOYSA-N 285.281 -0.539 50 20 CBGD C[C@@H](O)CN(C)NC(=O)C(=O)NCc1ccc(F)cc1 910162477 GVUWHMFLSCIJOL-SECBINFHSA-N 283.303 -0.214 50 20 CBGD CC(C)CC(=O)NNC(=O)CN(C)S(C)(=O)=O 914756119 GQDGGMREZZTXHC-UHFFFAOYSA-N 265.335 -0.929 50 20 CBGD CN(C)C1(CNC(=O)NNC(=O)[C@H]2CCCCO2)CC1 922987766 IVRBZODXIMAQOY-SNVBAGLBSA-N 284.360 -0.020 50 20 CBGD CN(C)c1cccc(C(=O)NNC(=O)NCC#CCO)c1 923789038 NFCHRHMFXWCICK-UHFFFAOYSA-N 290.323 -0.308 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)Cc1cc[nH]n1 1116582023 XYFOEMBZJDVMIN-SSDOTTSWSA-N 267.289 -0.986 50 20 CBGD C[C@@H](C#N)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1117678918 JNMAIXBRGGGABI-DTWKUNHWSA-N 259.331 -0.362 50 20 CBGD COCCN(C)NC(=O)[C@@H]1CCc2nncn2C1 1118322743 OVNAPHWBSOQRBU-SECBINFHSA-N 253.306 -0.550 50 20 CBGD CC(C)(C)n1nnc(CC(=O)N2CC[C@@H](B(O)O)C2)n1 1118975122 MSTJSLKQCIGEFD-MRVPVSSYSA-N 281.125 -0.954 50 20 CBGD CNC(=O)NNC(=O)CC(=O)NCC(F)(F)F 1319926128 ATYREEDLIUWQRG-UHFFFAOYSA-N 256.184 -0.985 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CCCSC1 1323895959 MLRPGYYNYQNFLR-ZETCQYMHSA-N 275.330 -0.367 50 20 CBGD Cc1ncc(NC(=O)C(=O)NNC(=O)CN(C)C)s1 1323945105 QIYWSIRPYRSEEO-UHFFFAOYSA-N 285.329 -0.901 50 20 CBGD O=C(CN1C(=O)CNC1=O)NNC(=O)Nc1ccccc1 1325261155 AIMOKEBKJWUNBU-UHFFFAOYSA-N 291.267 -0.609 50 20 CBGD CC#CCCNC(=O)NNC(=O)C(=O)Nc1ccccn1 1325807786 MQZLBKKMZADEKV-UHFFFAOYSA-N 289.295 -0.236 50 20 CBGD CS(=O)(=O)CC1CCC(=NNC(=O)CO)CC1 1326239673 JLELXCOFTAAEJC-UHFFFAOYSA-N 262.331 -0.314 50 20 CBGD O=C(NNC(=S)NC[C@@H]1CCOC1)c1cc[nH]n1 1327385357 BKGLIISTDKIKRG-ZETCQYMHSA-N 269.330 -0.445 50 20 CBGD Cc1ccoc1C(=O)NNC(=O)CS(C)(=O)=O 1348436425 NZRBIXUBAKUPBD-UHFFFAOYSA-N 260.271 -0.606 50 20 CBGD C[C@H](CO)N(C)NC(=O)CS[C@H]1CCS(=O)(=O)C1 1348955456 MRGOGURDSJHSOB-BDAKNGLRSA-N 296.414 -0.750 50 20 CBGD Cc1cnc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 1351629029 UPHOANIUULEZEX-ZETCQYMHSA-N 282.325 -0.580 50 20 CBGD C#CCCCC(=O)NNC(=O)c1cnn(CCO)c1 1522275390 BEEVOAZBXIKLBH-UHFFFAOYSA-N 264.285 -0.560 50 20 CBGD O=C(NN=Cc1cnc[nH]1)[C@H]1CN2CCC[C@H]2CO1 1549319293 TUVHMNIYNURQDJ-WDEREUQCSA-N 263.301 -0.277 50 20 CBGD CCCC[C@@H](O)CCC(=O)NNC(=O)[C@@H]1CCN1 1577418831 FDHWHMFLDOYEQJ-ZJUUUORDSA-N 257.334 -0.173 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNC(=O)Cc1ccc(F)cc1 1593908569 HYIDRVROOZAVGM-JTQLQIEISA-N 284.243 -0.385 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)CC(=O)O 1594712525 QKIOLBGUTNNJTO-NKWVEPMBSA-N 274.273 -0.414 50 20 CBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)[C@@]1(C)CCCO1 1594755741 QFAOLITVDMEIHU-RDDDGLTNSA-N 258.274 -0.186 50 20 CBGD CNC(=O)NNC(=O)c1ccc(OCC(=O)O)cc1 1598650794 LYMRVVCIYJGQAM-UHFFFAOYSA-N 267.241 -0.276 50 20 CBGD COC[C@](C)(CC(=O)O)NS(=O)(=O)CCl 1599150328 FVOWBRQYYVOVIU-ZETCQYMHSA-N 259.711 -0.018 50 20 CBGD Cc1cscc1CNC(=O)NNC(=O)C(=O)O 1600666502 XRLZBSJRKHWVJW-UHFFFAOYSA-N 257.271 -0.028 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1)c1ccccc1O 1608479171 QIWHIWHUMRGDIK-ZJUUUORDSA-N 294.263 -0.215 50 20 CBGD CCc1cnc(CNC(=O)NNC(=O)C(=O)O)s1 1610070507 BFKULRXEUGCFFC-UHFFFAOYSA-N 272.286 -0.380 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)NCc1ccco1 49162610 XAMQUDIWXTTZRT-UHFFFAOYSA-N 268.273 -0.412 50 20 CBGD CCNC(=O)N1CCN(S(=O)(=O)CCl)CC1 82512451 JDMIOCIDIJWWOO-UHFFFAOYSA-N 269.754 -0.140 50 20 CBGD O=S1(=O)CCN(S(=O)(=O)CBr)CC1 127022070 HWPKMEVYCQMIHI-UHFFFAOYSA-N 292.176 -0.601 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H](C)S(C)(=O)=O)n1 266888175 DQUNZHQIARBOAT-ZETCQYMHSA-N 288.329 -0.330 50 20 CBGD CCS(=O)(=O)NCC(=O)NNC(=O)c1ccccc1C 269312652 ZNKSGQQSPYIUIH-UHFFFAOYSA-N 299.352 -0.305 50 20 CBGD C=CCNC(=S)NNC(=O)CCOCCOC 281370148 WRIAOWDRJBBVSD-UHFFFAOYSA-N 261.347 -0.279 50 20 CBGD O=C(C[C@H]1CCCO1)NNC(=O)C(=O)N1CCCC1 299505641 RTEZABYWYNOMKP-SECBINFHSA-N 269.301 -0.675 50 20 CBGD CC[C@H](OC)C(=O)NNC(=O)CNC(=O)c1ccco1 299701845 VPIDMCDINDCFPV-QMMMGPOBSA-N 283.284 -0.418 50 20 CBGD CC1CCC(N2C[C@@H](C(=O)NNC(=O)CO)CC2=O)CC1 376831793 KRKBVIPVSAWTNW-YVNMAJEFSA-N 297.355 -0.447 50 20 CBGD CC(C)(C)n1nnc(CCOc2ccc(B(O)O)cc2)n1 584911108 XJNFKTOVDBDDMV-UHFFFAOYSA-N 290.132 -0.271 50 20 CBGD C[C@@H](O)[C@@H]1CCCCN1C(=O)c1cc(B(O)O)ccc1F 584971022 JKBRKUCMKMOQGN-RNCFNFMXSA-N 295.119 -0.119 50 20 CBGD C[C@H](Cn1cccn1)NCc1ccccc1B(O)O 585017620 FFXMUHHYRIAILS-LLVKDONJSA-N 259.118 -0.259 50 20 CBGD C[C@@H](CCN(C)C)NCc1cccc(B(O)O)c1 585020568 BGUNOMLXRBHVJQ-NSHDSACASA-N 250.151 -0.204 50 20 CBGD COCCOC[C@H](C)NCc1ccccc1B(O)O 585027282 PYWGKYFPDZBTJF-NSHDSACASA-N 267.134 -0.493 50 20 CBGD CO[C@@H]1CCC[C@H]([C@H](CO)NCc2ccc(B(O)O)o2)C1 585047514 QLMHFCLYZHAILP-LOWVWBTDSA-N 297.160 -0.385 50 20 CBGD O=C(NCB(O)O)c1cn(Cc2cccc(F)c2)nn1 585060680 WKHNNUBDUGDWID-UHFFFAOYSA-N 278.052 -0.793 50 20 CBGD O=C(NCCn1cncn1)NNC(=O)C1CCCC1 726708996 JMCNQXKDTSIJBM-UHFFFAOYSA-N 266.305 -0.201 50 20 CBGD NC(=O)C(=O)NN=Cc1ccc(N2CCOCC2)c(F)c1 727250401 NMTNDDIUTJHAHX-UHFFFAOYSA-N 294.286 -0.402 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1CCCN1C 733870816 YNJOGRGCOXNXOI-VIFPVBQESA-N 258.322 -0.553 50 20 CBGD CCOC(=O)/C(C#N)=C/NNC(=O)c1cnn(C)c1 735462933 YVGLWBQPYJNIGO-VMPITWQZSA-N 263.257 -0.375 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)[C@@H]1C[C@H]1C(=O)O 739401403 AXLGBDXFYPEOTM-QWWZWVQMSA-N 269.179 -0.400 50 20 CBGD CCC(CC)[C@@H](C(=O)NNC(=O)CO)N1CCOCC1 753452360 RIGIDLFIGLAGLJ-LBPRGKRZSA-N 287.360 -0.737 50 20 CBGD CCC1(C(=O)NNC(=O)c2c[nH]nc2C)COC1 755337515 JFECEHQUWHXXPC-UHFFFAOYSA-N 252.274 -0.094 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc(N2CCOC2=O)cc1 756162266 XNQRDQHAQAPUAP-UHFFFAOYSA-N 294.267 -0.212 50 20 CBGD COc1cccc(NNC(=O)[C@@H](C)S(C)(=O)=O)n1 780769370 GQNCXDKPBDHVJN-SSDOTTSWSA-N 273.314 -0.034 50 20 CBGD COC[C@@H](CNC(=O)NNC(=O)C1CCC1)OC 781388314 WRBHEKVYLVJERE-SECBINFHSA-N 259.306 -0.222 50 20 CBGD COC(=O)C[C@H]1CCC(=NNC(=O)C(N)=O)[C@@H]1C 794459931 NDRVITFMKVLJPG-RNFRBKRXSA-N 255.274 -0.447 50 20 CBGD CCN1CCCC[C@@H]1C(=O)NNC(=O)N1CCN(C)CC1 807382280 FGNSAEQCHOSWMC-GFCCVEGCSA-N 297.403 -0.151 50 20 CBGD COCCN(C)NC(=O)[C@@H]1COCCN1CC(F)F 808075355 WAAFMEZITGWEIC-VIFPVBQESA-N 281.303 -0.438 50 20 CBGD COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)N1CCN(C)CC1 812557228 RNOQRRPSZXEVPJ-GHMZBOCLSA-N 286.376 -0.107 50 20 CBGD CN(C)S(=O)(=O)N(C)CC(=O)NNc1ccccc1 816840424 OJMMSMXDNYRKCQ-UHFFFAOYSA-N 286.357 -0.132 50 20 CBGD CCC(=O)N[C@H](CCSC)C(=O)NN(C)[C@H](C)CO 823971531 WDNVFJVFVOQQKU-NXEZZACHSA-N 291.417 -0.022 50 20 CBGD CCCNC(=O)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 825333437 YCYVPERHBBZFIO-UHFFFAOYSA-N 278.276 -0.451 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1cccc(F)c1O 828343641 IAHOZFJQEWMPHP-UHFFFAOYSA-N 295.270 -0.085 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CO[C@H](C)C1 828427841 QOINILMIFBGPAU-BBBLOLIVSA-N 289.332 -0.454 50 20 CBGD C=CCN(CCOC)CC(=O)NNC(=O)C(C)C 829177898 RBWDVOMPCAUKBJ-UHFFFAOYSA-N 257.334 -0.076 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1cc(C(=O)O)c(C)o1 829800110 XVAYLNBCWDJQIF-UHFFFAOYSA-N 291.285 -0.201 50 20 CBGD CO[C@H](CS(=O)(=O)NNC(=O)N(C)C)C(C)C 842578951 BHEDINKVPHSEAN-MRVPVSSYSA-N 267.351 -0.237 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](C)N[C@H](C)C1 843352322 YUMWDVYOTGQHFS-BBBLOLIVSA-N 256.350 -0.386 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CCCN1C(=O)C1CC1 843779623 UPJZNEQAKRAMLP-VIFPVBQESA-N 268.317 -0.310 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])OCC(F)(F)F 856026233 RGAFARSYHOBARU-QWWZWVQMSA-N 271.151 -0.029 50 20 CBGD COC(=O)COCCNC(=O)NNc1ccccn1 858835337 JZVHDTVTYDDGCV-UHFFFAOYSA-N 268.273 -0.103 50 20 CBGD C[C@@H](NNC(=O)CN1CCCS1(=O)=O)C(F)(F)F 862310247 SMRAYQGNZMIZFX-ZCFIWIBFSA-N 289.279 -0.407 50 20 CBGD CCC(C)(C)NC(=S)NNC(=O)[C@H]1CCC(=O)N1 863204278 URBCWQWIHKQNGX-SSDOTTSWSA-N 272.374 -0.051 50 20 CBGD COC(=O)[C@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F 863868651 CRZUFOKBVKGKED-LLVKDONJSA-N 295.075 -0.717 50 20 CBGD O=C(/C=C/CN1CCOCC1)NNC(=O)c1cc[nH]n1 869240008 VFZGCVVFQPOLNR-OWOJBTEDSA-N 279.300 -0.941 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccnc(C)c1 869905937 GBMXJJWDOWZBTH-UHFFFAOYSA-N 267.285 -0.186 50 20 CBGD COCCOCC(=O)NNC(=O)c1cc(OC)ns1 869906137 WZTXJEMPTOHFKS-UHFFFAOYSA-N 289.313 -0.424 50 20 CBGD COC(=O)N(C)NC(=O)NCCC(=O)NC(C)C 875048964 VFUHCVYEGMRJTC-UHFFFAOYSA-N 260.294 -0.187 50 20 CBGD Cc1ccn(C[C@@H](C)C(=O)NNC(=O)CN(C)C)n1 878681445 QYYKPYXBIVCPAZ-SECBINFHSA-N 267.333 -0.463 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccnc2c1nnn2C 910159164 ZYZPCOLLXDPJLK-ZETCQYMHSA-N 264.289 -0.679 50 20 CBGD CC1=C(C)C(=O)N(CCC(=O)NN(C)C[C@H](C)O)C1=O 910181065 BXJIWTYEHFTGBC-QMMMGPOBSA-N 283.328 -0.575 50 20 CBGD CNC(=S)NNC(=O)[C@H](C)CN1CCOCC1 916117688 HXMZWLNXWJDBPF-MRVPVSSYSA-N 260.363 -0.920 50 20 CBGD Cc1cc(CCC(=O)NNC(=O)N2CCOCC2)no1 931114612 VHPDAWHEGNVOAA-UHFFFAOYSA-N 282.300 -0.011 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCCOCC1 1116479221 OAHDQXBBFDEJOF-SSDOTTSWSA-N 259.262 -0.941 50 20 CBGD COC(=O)CNC(=O)NN=CC(C)(C)S(C)(=O)=O 1116513239 MLKFORBQKBKWFT-UHFFFAOYSA-N 279.318 -0.732 50 20 CBGD CCn1nc(C(C)C)cc1C(=O)NNC(=O)CO 1116554235 LFNMZXGETLSYFL-UHFFFAOYSA-N 254.290 -0.220 50 20 CBGD CCONC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 1116681419 VWZZLRMLBBTBEG-QMMMGPOBSA-N 251.308 -0.681 50 20 CBGD Cn1ccc(C=NNC(=O)Cc2cc(O)nc(S)n2)n1 1117741555 BEZWDJUISGBQQA-UHFFFAOYSA-N 292.324 -0.103 50 20 CBGD O=C1CC[C@H](C(=O)NNc2ncc(F)cn2)CN1 1253775245 KYWKHJDZSRJHLI-LURJTMIESA-N 253.237 -0.415 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1cnn(C)c1 1254996723 NWOXWPRBRMPRFO-UHFFFAOYSA-N 261.307 -0.725 50 20 CBGD O=C(NCCOC[C@@H]1CCOC1)NNC(=O)c1cn[nH]c1 1261789330 AHGCGBJMTQYSET-SECBINFHSA-N 297.315 -0.593 50 20 CBGD C[C@H](C(=O)NNC(=O)Cc1ccncc1)n1cncn1 1319912787 NFCBPFWQWKZDKT-SECBINFHSA-N 274.284 -0.376 50 20 CBGD Cc1c(N)cccc1NC(=O)C(=O)NNC(=O)CN(C)C 1329415530 COLCKQJMKLNPRC-UHFFFAOYSA-N 293.327 -0.775 50 20 CBGD Cn1ncc(C(=O)O)c1C=NNC(=O)CN1CCCC1=O 1329933612 NABPXLKCQILGHV-UHFFFAOYSA-N 293.283 -0.809 50 20 CBGD Cc1[nH]nc(C(=O)N2CC[C@H](B(O)O)C2)c1[N+](=O)[O-] 1330262520 QPZAZRIPMWVYGK-LURJTMIESA-N 268.038 -0.685 50 20 CBGD Cn1cc(C(=O)CCC(=O)NNc2cnnn2C)cn1 1347987421 AYTGPADJRXXSIX-UHFFFAOYSA-N 277.288 -0.345 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)[C@@]1(C)C[C@H](O)CN1 1574166075 WQUBTZAGPPTWJE-IINYFYTJSA-N 277.324 -0.131 50 20 CBGD Cc1ccc(SCC(=O)NNC(=O)C[C@@H](O)CN)cc1 1579735636 WXUWCZUZSRUIFK-SNVBAGLBSA-N 297.380 -0.056 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cc(-c2nn[nH]n2)ccn1 1589882197 LFJXKFQCQGYSFN-ZETCQYMHSA-N 277.288 -0.781 50 20 CBGD C[C@H](CC(=O)O)CC(=O)NNC(=O)c1cccnn1 1592391117 BSZZTDMDTYGOJG-ZETCQYMHSA-N 266.257 -0.262 50 20 CBGD CN(C)CC(=O)NNC(=O)Cc1ccccc1C(=O)O 1593691855 CHKRTZKFVOMEEU-UHFFFAOYSA-N 279.296 -0.364 50 20 CBGD O=C(/C=C\c1cc(C(=O)O)co1)NNC(=O)c1ncon1 1601233699 NYCWHZWEYJMZBL-UPHRSURJSA-N 292.207 -0.165 50 20 CBGD C[C@](O)(CNS(=O)(=O)CCCCl)C(=O)O 1603263412 JRMYMFIWLISOCA-ZETCQYMHSA-N 259.711 -0.630 50 20 CBGD CC(=O)NNC(=O)[C@H](C)Oc1ccc(-c2nn[nH]n2)cc1 1609064079 XYUPVTBQVLFEAG-ZETCQYMHSA-N 290.283 -0.199 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cccc(C#N)c1 48375720 VRXPHOOVQATEFD-UHFFFAOYSA-N 274.280 -0.156 50 20 CBGD Cc1ccc(C)c(NNC(=O)C(=O)NCC(=O)N(C)C)c1 131944864 WAIVOIYHEAEPKJ-UHFFFAOYSA-N 292.339 -0.049 50 20 CBGD COCCN1C[C@H](C(=O)NNc2cnccn2)CC1=O 265153534 KXBKVZALGKITRD-SECBINFHSA-N 279.300 -0.585 50 20 CBGD CNC(=O)NCC(=O)NNc1cccc(OC)n1 273011934 QCRPKPRULONKPY-UHFFFAOYSA-N 253.262 -0.538 50 20 CBGD COC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)C(C)(C)O 286809446 PMLOUIWZRCGHTC-BQBZGAKWSA-N 258.274 -0.896 50 20 CBGD CCO/C=C(\C#N)C(=O)NCC(=O)NCC(F)F 490974367 NAEUWQPDWIXXOO-VOTSOKGWSA-N 261.228 -0.072 50 20 CBGD CN(CC1CC1)C(=O)c1ccc(B(O)O)c(F)c1 584932663 WSRYDUOZHWWRCP-UHFFFAOYSA-N 251.066 -0.013 50 20 CBGD C[C@@H](NC(=O)c1cccc(B(O)O)c1)C1CCOCC1 584959211 DUQJRMFKBFGFRZ-SNVBAGLBSA-N 277.129 -0.089 50 20 CBGD COCC1(NC(=O)c2ccc(B(O)O)c(F)c2)CC1 584962173 BLXXKDZMPLDOJB-UHFFFAOYSA-N 267.065 -0.586 50 20 CBGD C[C@]1(CO)CCC[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584962352 MFZUBAZCCWYDIN-GXTWGEPZSA-N 295.119 -0.214 50 20 CBGD CN(C)C(C)(C)CNCc1cccc(B(O)O)c1 585014265 MCPFILVBOSOBAW-UHFFFAOYSA-N 250.151 -0.204 50 20 CBGD OCCC1(CNCc2ccccc2B(O)O)CCOCC1 585031912 ZTFXWQLRJKYHFT-UHFFFAOYSA-N 293.172 -0.365 50 20 CBGD Cc1nnc(CNCc2ccc(B(O)O)cc2)s1 585035518 VORCXIPVLOMNAU-UHFFFAOYSA-N 263.131 -0.184 50 20 CBGD OB(O)c1ccc(CNCc2nc(C3CC3)n[nH]2)c(F)c1 585043063 HIHAVBXYQAYMJM-UHFFFAOYSA-N 290.107 -0.209 50 20 CBGD O=S(=O)(CCC(F)(F)F)N1CC[C@@H](B(O)O)C1 585056919 ZBSJFEIZJBYJBZ-ZCFIWIBFSA-N 275.057 -0.183 50 20 CBGD CCc1ccc(CS(=O)(=O)NCB(O)O)cc1 585059480 PCNWKYBDTOMAQL-UHFFFAOYSA-N 257.120 -0.320 50 20 CBGD COCCCNC(=O)NNC(=O)C(C)(C)NC(C)=O 726770465 WJLJHUUITMJQBP-UHFFFAOYSA-N 274.321 -0.732 50 20 CBGD CCCCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 728363492 KRYWTGZAHJPESK-QMMMGPOBSA-N 262.331 -0.241 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc2c(c1)OCC(=O)N2 733359317 MDTVRMUICGMYJM-UHFFFAOYSA-N 292.295 -0.660 50 20 CBGD N=C1NC(=O)[C@H](CC(=O)NNC(=O)C2CCC2)S1 742664406 LEXJIMINRCPUOT-LURJTMIESA-N 270.314 -0.510 50 20 CBGD CCN(C)C[C@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 744423316 DBRQMZZRRSLWEZ-LLVKDONJSA-N 282.388 -0.183 50 20 CBGD CC(=O)Nc1ccc(NC(=O)NNC(=O)CO)cc1 755495499 RSKZKDRMWKFCRH-UHFFFAOYSA-N 266.257 -0.210 50 20 CBGD O=C(CNC(=O)c1cccs1)NNC(=O)c1cnco1 758959741 GYQJZRHZSMZBFU-UHFFFAOYSA-N 294.292 -0.073 50 20 CBGD C#CCOc1ccc(F)cc1NC(=O)C(=O)NNC(C)=O 763516765 CLZSPRVQFPPJIU-UHFFFAOYSA-N 293.254 -0.057 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 770946342 BMYPFUWYRUNLMW-ZETCQYMHSA-N 294.377 -0.747 50 20 CBGD CCOc1cnc(C(=O)NNC(=O)Cc2cc[nH]n2)cn1 778749703 FWIJFSJFUDOGDZ-UHFFFAOYSA-N 290.283 -0.398 50 20 CBGD Nc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)c1cnn[nH]1 779515177 OPFKDNWFZLULPH-UHFFFAOYSA-N 291.227 -0.630 50 20 CBGD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NNC(=O)C1CCC1 779516248 CMSMOQJNXXEHHR-XVKPBYJWSA-N 283.328 -0.791 50 20 CBGD CC(C)CCC(=O)NNC(=O)N1CCO[C@@H](C(=O)O)C1 817872018 IDZHBUOKNVZLIF-SECBINFHSA-N 287.316 -0.051 50 20 CBGD COCCO[C@H](C)C(=O)NN=C1CCN(CCO)CC1 819808414 NNZVVMKEDMAIMG-LLVKDONJSA-N 287.360 -0.402 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@H](C)N(C)C)n[nH]1 823824950 SJXOPIGQHQGGHP-MRVPVSSYSA-N 253.306 -0.642 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cc[nH]n1 825795453 LGSSXTVZRNGZGV-APPZFPTMSA-N 267.289 -0.335 50 20 CBGD CC(C)CN1CCN(CC(=O)NNC(=O)C(C)C)CC1=O 828987747 JVQYATCLOLJKOD-UHFFFAOYSA-N 298.387 -0.410 50 20 CBGD O=C(NNc1ccccc1F)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 830767172 WPUUMDNFCMOVIO-IJLUTSLNSA-N 282.271 -0.318 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@@H]2CC[C@H]2C(N)=O)nc1 847616185 KOOWPXBVLKOUHD-RKDXNWHRSA-N 292.295 -0.177 50 20 CBGD CNC(=S)N(C)NC(=O)Cc1ccc(C(N)=O)cc1 854919783 FNYUSRVMLBTICE-UHFFFAOYSA-N 280.353 -0.205 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NN(C)C(=S)NC 854923212 MWWFVHHZLNELHC-MRVPVSSYSA-N 260.363 -0.826 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=O)OCC(F)(F)F 856021416 OHJGWHKGGWCIQW-SSDOTTSWSA-N 274.195 -0.297 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)N1 862449869 LDYGHZOTDPQHSP-AATLWQCWSA-N 265.313 -0.151 50 20 CBGD COCCC1(C(=O)NNC(=O)c2cn[nH]c2)CC1 862472144 GKBQOPOLVQGRFJ-UHFFFAOYSA-N 252.274 -0.013 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H](C)N1C(=O)CCC1=O 887140756 RCNVWVMTEWHDOZ-VIFPVBQESA-N 279.296 -0.525 50 20 CBGD O=C1CN(CC(=O)NNc2cccc(F)c2)CCN1 901162355 JKOZJCCGPLPMGH-UHFFFAOYSA-N 266.276 -0.299 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cnn(CCN(C)C)c1 910150930 XAXLRAKXSQVUAZ-SNVBAGLBSA-N 269.349 -0.598 50 20 CBGD COc1ncnc(OC)c1C(=O)NN(C)C[C@H](C)O 910163536 DXKDJOJZUKZBNN-ZETCQYMHSA-N 270.289 -0.549 50 20 CBGD NC(=O)CSCC(=O)NNC(=O)c1cccs1 915261311 JFVFTLPZYNWDAW-UHFFFAOYSA-N 273.339 -0.272 50 20 CBGD Cn1nc(C(=O)NNC(=O)C(C)(C)C)ccc1=O 917182647 PXNKHHZYPSQHAE-UHFFFAOYSA-N 252.274 -0.413 50 20 CBGD NC(=O)c1cc(C(=O)NNC(=O)CC(F)(F)F)c[nH]1 918366939 GQAJIUSRZNJRSF-UHFFFAOYSA-N 278.190 -0.173 50 20 CBGD CNC(=O)NNC(=O)CS(=O)(=O)C1CCCC1 919879624 VSVVVURWTHXKMH-UHFFFAOYSA-N 263.319 -0.696 50 20 CBGD C=CCCOCC(=O)NNC(=O)C(=O)NC1CC1 920430795 BVWOTTYYPHVJBC-UHFFFAOYSA-N 255.274 -0.995 50 20 CBGD CC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cnn(C)c2)C1 1116087026 GLTPXONFDBGQJU-SNVBAGLBSA-N 293.327 -0.560 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1 1120663897 PJOJMUBVZHNMDO-KCJUWKMLSA-N 281.316 -0.743 50 20 CBGD CNS(=O)(=O)c1ccc(C(=O)NNc2ncccn2)o1 1248626305 MMRXFWSZVXLNEK-UHFFFAOYSA-N 297.296 -0.265 50 20 CBGD NC(=O)N1CCC(=NNC(=O)c2cn[nH]c2)CC1 1261833146 NTURVUJSQVNYCC-UHFFFAOYSA-N 250.262 -0.330 50 20 CBGD Nc1cnnc(NNC(=O)[C@@H]2CCC(=O)NC2)c1Cl 1319302825 IZMNVMROBIVPME-RXMQYKEDSA-N 284.707 -0.319 50 20 CBGD Cn1nnc2c(C(=O)NNc3cccnn3)ccnc21 1321232024 PKTWRIXXTVAOTP-UHFFFAOYSA-N 270.256 -0.090 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc[n+]([O-])cc1 1324103872 XYQJVAMDPNDYDC-QMMMGPOBSA-N 281.268 -0.577 50 20 CBGD O=C(CCn1cnccc1=O)NNC(=O)C1CC1 1324432156 PECUJDWSTLNFAA-UHFFFAOYSA-N 250.258 -0.809 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1ncc[nH]1 1329340126 VGICNVSFMGFSMI-JGVFFNPUSA-N 252.274 -0.475 50 20 CBGD CCn1cc(C=NNC(=O)Cc2cc(O)nc(O)n2)cn1 1329992627 XOFNTNPRDWOJLY-UHFFFAOYSA-N 290.283 -0.203 50 20 CBGD CC(F)(F)CCC(=O)NNC(=O)CS(C)(=O)=O 1331736410 LNVVNUZJGHHMOQ-UHFFFAOYSA-N 272.273 -0.386 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)N(C)C 1336757524 VTEXYSWAIFBUGK-QMMMGPOBSA-N 279.344 0.000 50 20 CBGD CCO[C@H]1CCN(C(=O)NNC(=O)c2cccnn2)C1 1340596815 TVQPDYWLNFZUAD-VIFPVBQESA-N 279.300 -0.058 50 20 CBGD CCn1cc(C(=O)C(=O)NNC(=O)C(C)C)cn1 1341230106 RKWLBGLPQXZCGK-UHFFFAOYSA-N 252.274 -0.111 50 20 CBGD C[C@H](NC(=S)NNC(=O)c1cnn(CCO)c1)C1CC1 1348854339 WEJKUDFBYAQIIF-QMMMGPOBSA-N 297.384 -0.217 50 20 CBGD COc1ccc(C(=O)NNC(=O)C2(N)CC2)c(OC)c1 1574023981 RBJMQTFYKCHRAC-UHFFFAOYSA-N 279.296 -0.044 50 20 CBGD O=C(NNC(=O)[C@H]1CCN1)c1ccn(CC(F)F)n1 1580736015 LDIDRJZQVHCFPR-ZCFIWIBFSA-N 273.243 -0.729 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)Cn1cc(C(=O)O)nn1 1590233396 SDRVHBBSNNSBTI-UHFFFAOYSA-N 285.260 -0.468 50 20 CBGD CC1CCN(C[C@H](C)NC(=O)NNC(=O)C(=O)O)CC1 1594417420 WKEAPNJBYWSRSO-VIFPVBQESA-N 286.332 -0.478 50 20 CBGD O=C(O)CCCCC(=O)NNC(=O)C(=O)N1CCCC1 1595032828 ZNIFDWURMLYDED-UHFFFAOYSA-N 285.300 -0.599 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@H]1CC(=O)O 1599863098 LYZNNCJOOZDHKA-MWLCHTKSSA-N 291.112 -0.451 50 20 CBGD O=C(NNC(=O)C(=O)O)NC1CCN(CC(F)F)CC1 1601553004 QQDYULDZBXYRJQ-UHFFFAOYSA-N 294.258 -0.869 50 20 CBGD O=C(O)[C@@H](O)CNS(=O)(=O)CCCCCl 1602171570 MPHMMRWTZYQKJZ-LURJTMIESA-N 259.711 -0.630 50 20 CBGD O=C(O)c1cc(C(=O)NNC(=O)c2cccnn2)on1 1602247157 NMETWFDPTPZXPB-UHFFFAOYSA-N 277.196 -0.762 50 20 CBGD O=C(O)c1ccc(CNC(=O)c2cccc(B(O)O)c2)cc1 1602342926 XSMYYAAEQYEKFB-UHFFFAOYSA-N 299.091 -0.005 50 20 CBGD CC(C)(C=NNC(=O)NCC(=O)O)N1CCOCC1 1603575868 NKVIPXAZGOLBGY-UHFFFAOYSA-N 272.305 -0.533 50 20 CBGD CN1CCN(S(=O)(=O)CCl)C[C@@H](C(=O)O)C1 1606245054 QTNWGODXWWEJBM-ZETCQYMHSA-N 270.738 -0.539 50 20 CBGD CCOC(=O)NNS(=O)(=O)c1c(C)nn(C)c1C 18994628 CDSIXRWBAPIGNM-UHFFFAOYSA-N 276.318 -0.024 50 20 CBGD CC(=O)NNC(=O)CNC(=O)NCc1ccc(C)cc1 36832154 JHVKIXNVNAFVOU-UHFFFAOYSA-N 278.312 -0.038 50 20 CBGD NC(=O)NCCC(=O)NNC(=O)NCc1ccco1 49182793 KUIUHEHGEUZNCS-UHFFFAOYSA-N 269.261 -0.832 50 20 CBGD CCCNC(=O)NNC(=O)c1nc2nccc(C)n2n1 49279353 UDWKDNUULXUYEG-UHFFFAOYSA-N 277.288 -0.213 50 20 CBGD Cn1cccc1C(=O)NNC(=O)Cn1cc(C2CC2)nn1 159293527 NWQGZVMJSCNJTN-UHFFFAOYSA-N 288.311 -0.045 50 20 CBGD CC(C)(O)C(=O)NNC(=O)Cc1ccc2c(c1)OCO2 276241393 KYBILSZMEFIFGX-UHFFFAOYSA-N 280.280 -0.124 50 20 CBGD COC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)c1cc(C)n[nH]1 285954584 ZTEGRTGROPVVIS-HTQZYQBOSA-N 280.284 -0.322 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)Cn2cc([N+](=O)[O-])cn2)O1 293863759 ILEQYXOXOBUGQT-CBAPKCEASA-N 297.271 -0.494 50 20 CBGD CCOC(=O)N[C@@H](C(=O)NNC(=O)CN(C)C)C(C)C 491426726 FBSUPFXGEHSAPJ-SNVBAGLBSA-N 288.348 -0.534 50 20 CBGD O=C(NCc1n[nH]c2c1CCCC2)c1cccc(B(O)O)c1 584996953 RXIYBYIEOZMCGG-UHFFFAOYSA-N 299.139 -0.102 50 20 CBGD CC1(C)OC[C@@H]2C[C@]21NC(=O)c1ccc(B(O)O)c(F)c1 585010858 YSXINJJDKITORT-XPTSAGLGSA-N 293.103 -0.197 50 20 CBGD CN(C)C(=O)[C@@H]1CCC[C@@H](NCc2ccc(B(O)O)o2)C1 585030209 XWELEHVMLQAAOV-GHMZBOCLSA-N 294.160 -0.304 50 20 CBGD CNC(=O)C[C@H](C)NCc1ccc(B(O)O)cc1F 585045003 YTZGWUGOFVESAS-QMMMGPOBSA-N 268.097 -0.880 50 20 CBGD O=C1CCC[C@H](c2nc(-c3ccc(B(O)O)cc3)no2)N1 585055143 RUHHIXRBGVJHEN-SNVBAGLBSA-N 287.084 -0.242 50 20 CBGD COc1ccccc1N1C[C@@H](C(=O)NCB(O)O)CC1=O 585058360 DIHCQKHZFOQWSF-VIFPVBQESA-N 292.100 -0.824 50 20 CBGD Nc1c(C(=O)N2CC[C@@H](B(O)O)C2)cccc1[N+](=O)[O-] 585067227 RRPBCGIMOGTQFV-SSDOTTSWSA-N 279.061 -0.134 50 20 CBGD CNC(=O)NNC(=O)COc1ccccc1C=O 727374105 MNIBJODQTJASMN-UHFFFAOYSA-N 251.242 -0.162 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)CNC(=O)C2CC2)c1 728870777 DGIBFQMCBSCPBD-UHFFFAOYSA-N 286.291 -0.155 50 20 CBGD COc1ccnc(C(=O)NNC(=O)N2CCOCC2)c1 734811302 GODXLSGQEYBQFH-UHFFFAOYSA-N 280.284 -0.223 50 20 CBGD Cn1cc(C(=O)NNC(=O)N[C@H]2CCN(C3CC3)C2)cn1 735581116 MUQQPOFPXRTRFC-JTQLQIEISA-N 292.343 -0.399 50 20 CBGD Cc1cc(NNC(=O)CN(C)S(C)(=O)=O)nc(C)n1 736716966 QKCZQRLZNIRIAL-UHFFFAOYSA-N 287.345 -0.572 50 20 CBGD CC(C)CN1C[C@@H](C(=O)NNC(=O)N(C)C)CC1=O 746001647 QXMWSWQACSMQQL-VIFPVBQESA-N 270.333 -0.207 50 20 CBGD COCCOCc1cccc(NC(=O)NNC(=O)CO)c1 755970727 VFSXTSPAZLFREV-UHFFFAOYSA-N 297.311 -0.005 50 20 CBGD C[C@H]1CCN(S(=O)(=O)NNC(=O)c2cccn2C)C1 777913707 YRCDBNMPXGKFET-VIFPVBQESA-N 286.357 -0.154 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCCN1C1CC1 787331933 IRVWUNFJARBTOQ-NSHDSACASA-N 277.328 -0.274 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1cnn(CC(F)F)c1 790053098 AEHAVVYVWLEGRT-UHFFFAOYSA-N 297.287 -0.339 50 20 CBGD Cn1nncc1C(=O)NNC(=O)Cn1cnc2ccccc21 798825924 DZTMOMDKFJGELV-UHFFFAOYSA-N 299.294 -0.374 50 20 CBGD O=C(CCn1ccnn1)NNC(=O)N=c1cc[nH]cc1 802028914 DYWCFSOKEPIRNY-UHFFFAOYSA-N 275.272 -0.662 50 20 CBGD CCS(=O)(=O)CC(=O)NNC(=O)N=c1cc[nH]cc1 802032520 VMCVHGRLULDXHW-UHFFFAOYSA-N 286.313 -0.909 50 20 CBGD CCn1nccc1C(=O)NNC(=O)N1CCN(C)CC1 807380695 MLDYNXORHIDPSD-UHFFFAOYSA-N 280.332 -0.495 50 20 CBGD CCCCS(=O)(=O)NCC(=O)NN(C)C1CC1 819650444 MJARAXIPDRVJCD-UHFFFAOYSA-N 263.363 -0.169 50 20 CBGD C=C(C)C(C)(C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 819876031 KHSNPBMMIMSEJW-MRVPVSSYSA-N 291.373 -0.326 50 20 CBGD COCCN(C)NC(=O)C(C)(C)CN1CCOCC1 822842998 GPSSRNNJBGYCMG-UHFFFAOYSA-N 273.377 -0.046 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](n2ccnn2)C1 823469562 XYAOWESWLSWZMF-GHMZBOCLSA-N 294.359 -0.139 50 20 CBGD CC(C)(O)[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 832435116 KSIHUMCCWSXIBA-GFCCVEGCSA-N 291.156 -0.011 50 20 CBGD O=C(NN[C@H](C(=O)O)c1ccccc1)[C@@H]1COCCO1 833149402 PKKUYYMGDHZPEB-QWRGUYRKSA-N 280.280 -0.152 50 20 CBGD CC(C)[C@H](C(=O)NNC(=O)c1ncccn1)N(C)C 841445744 NWNQUNLFEBPUFG-SECBINFHSA-N 265.317 -0.176 50 20 CBGD CC(=O)C1(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1 843970332 DUHWSVLQINRUHH-IONNQARKSA-N 254.286 -0.072 50 20 CBGD CCC(C)(C)OCC(=O)NNC(=O)C(=O)NC(C)C 857433150 RQVFLEWHDKGRKU-UHFFFAOYSA-N 273.333 -0.136 50 20 CBGD CS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)C2CC2)C1 858121744 LLMFGXFXKWGZEH-VIFPVBQESA-N 289.357 -0.785 50 20 CBGD CC1(OCC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCC1 862457488 KNZHLSGRASREIH-MRVPVSSYSA-N 269.301 -0.628 50 20 CBGD C[C@H](C(=O)NNC(=O)c1cn[nH]c1)[C@@H]1CCC(=O)N1 862469607 QBLKEMTZBLFVJZ-XPUUQOCRSA-N 265.273 -0.915 50 20 CBGD COC[C@H](C)[C@H](C)C(=O)NNC(=O)CS(C)(=O)=O 863466177 NPBHHZLWBGGWHI-YUMQZZPRSA-N 280.346 -0.903 50 20 CBGD CC1(CNCc2cccc(B(O)O)c2)OCCO1 863888858 XFEVWWACZNHSCH-UHFFFAOYSA-N 251.091 -0.781 50 20 CBGD C#C[C@H](NCc1ccc(B(O)O)cc1)[C@@H]1CCCO1 863891756 YMYFKXHVGLIPQL-KBPBESRZSA-N 259.114 -0.363 50 20 CBGD CNC(=O)[C@H](O)CNS(=O)(=O)CC(C)(C)CCl 867188186 VCEJSJSDNNYERE-SSDOTTSWSA-N 286.781 -0.722 50 20 CBGD O=C(N[C@H]1CCn2cncc2C1)c1ccc(B(O)O)cc1 869103552 ODWMZOXUDAKOGZ-LBPRGKRZSA-N 285.112 -0.692 50 20 CBGD O=C(NNC(=O)C1CCOCC1)c1nccn2ccnc12 883064227 UBQOFDLWPDLCBN-UHFFFAOYSA-N 289.295 -0.083 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@H]2C=CCC2)N1 883738245 UJEIRACEJGZJLV-IUCAKERBSA-N 266.301 -0.438 50 20 CBGD CCO[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 885325116 LWBAIEUYQLUIDN-LBPRGKRZSA-N 263.102 -0.383 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cncc(N2CCOCC2)c1 910159703 BHSWIEYNSHTKII-LLVKDONJSA-N 294.355 -0.124 50 20 CBGD Cc1cccc(NNC(=O)Cn2ccc(=O)n(C)c2=O)c1 915065517 AVIUDIGXTPSZML-UHFFFAOYSA-N 288.307 -0.001 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)NCC#CCO 923784826 MJEWVAPYSSKMMQ-UHFFFAOYSA-N 291.307 -0.436 50 20 CBGD CC(C)=CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1115818703 REHDGCMIKAIXFS-MRVPVSSYSA-N 260.315 -0.465 50 20 CBGD Cc1nnccc1C(=O)NNC(=O)Cc1cc[nH]n1 1116560868 XYITYGJJTWVHON-UHFFFAOYSA-N 260.257 -0.488 50 20 CBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cncnc1OC 1116620822 MFHZFBOAAIYLIG-ZETCQYMHSA-N 295.299 -0.383 50 20 CBGD COc1cc(C(=O)NNC(=O)Cc2cc[nH]n2)nn1C 1116642223 SXGFPRHCNNNWQH-UHFFFAOYSA-N 278.272 -0.845 50 20 CBGD CNC(=O)NNC(=O)c1cc(N2CCOCC2)ccn1 1116709284 HXWQUFDFBATZAQ-UHFFFAOYSA-N 279.300 -0.508 50 20 CBGD Cc1cccc(C(=O)NNC(=O)c2ccc(C(N)=O)nc2)n1 1116871824 IMYQORKVADZSRR-UHFFFAOYSA-N 299.290 -0.041 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)c1cccnn1)N(C)C1CC1 1119289378 IDIRUNOYNZUTGT-VIFPVBQESA-N 292.343 -0.097 50 20 CBGD O=C1CC[C@@H](C(=O)NNc2nc(-c3ccncc3)no2)N1 1251764991 GNWZCQFQBIXXRX-QMMMGPOBSA-N 288.267 -0.147 50 20 CBGD Cn1nc(C(=O)NNC(=S)NC(C)(C)C)ccc1=O 1317723417 GUJFXRAEHWZLQR-UHFFFAOYSA-N 283.357 -0.312 50 20 CBGD CNC(=O)c1ccc(C(=O)NNc2ncccn2)cn1 1318254017 MQDQUYOBQGEQEL-UHFFFAOYSA-N 272.268 -0.012 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](C)CN1CCCCC1 1318941277 IDZDLKJVDFELEI-SECBINFHSA-N 286.332 -0.636 50 20 CBGD COC(=O)C(=O)NN[C@H](C(=O)OC)c1ccccc1 1318970283 YHPFHCDPYZCJJW-VIFPVBQESA-N 266.253 -0.306 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NNc1ncc(F)cn1 1319774403 PPHIEKLTZKISIJ-ZCFIWIBFSA-N 276.293 -0.261 50 20 CBGD Cc1c(NC(=O)C(=O)NNC(=O)C(C)C)cnn1C 1320235144 QBXLGXOTCUSBCU-UHFFFAOYSA-N 267.289 -0.530 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCOC1CCCCC1 1322255003 XNRPRYOPIPSYEW-UHFFFAOYSA-N 287.316 -0.161 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)Cc1nc[nH]n1 1325989650 JWEIQIBCPYIPQT-JGVFFNPUSA-N 282.304 -0.598 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)Cc1cnc[nH]1 1327081754 WGEPQUXEEJMLEX-QMMMGPOBSA-N 281.316 -0.740 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CNC(C)(C)C 1327168208 OJZCLVUHCBLXES-IUCAKERBSA-N 257.334 -0.053 50 20 CBGD CS(=O)(=O)CCC(=O)NNC(=O)NCc1ccco1 1327862094 HMPKMIPILBNPCX-UHFFFAOYSA-N 289.313 -0.455 50 20 CBGD C[C@@H](NC(=S)NNC(=O)c1ncn(C)n1)C1CC1 1328304868 ZURYSWHQUQOQJR-ZCFIWIBFSA-N 268.346 -0.278 50 20 CBGD Cc1[nH]c(C(=O)NNC(=O)C(=O)NC(C)C)c(C)c1C=O 1328784788 XEICRJDIHYUNMF-UHFFFAOYSA-N 294.311 -0.270 50 20 CBGD C[C@H]1CC(=NNC(=O)[C@H]2CCC(=O)N2)c2ncnn21 1331723897 ZWOLVZLLEVVGGJ-NKWVEPMBSA-N 262.273 -0.658 50 20 CBGD CNC(=O)NNC(=O)c1cncc(N2CCCC2)n1 1331933256 WCWRSPRTWGZALH-UHFFFAOYSA-N 264.289 -0.349 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)NNC(=O)C1CCC1 1334931357 SCPIQJDAWKATAS-UHFFFAOYSA-N 266.261 -0.815 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)ncn2C 1337961699 VQLUDEGJXSXZKK-UHFFFAOYSA-N 275.268 -0.321 50 20 CBGD O=C(CC1CC1)NNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1344016956 PKVPWLPDQDJISE-UHFFFAOYSA-N 294.267 -0.296 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](O)C1CC1 1350778357 HFDKZSLRLZJRCE-SECBINFHSA-N 271.317 -0.791 50 20 CBGD CC(C)(C)C(=O)NNC(=O)c1cccn(CC(=O)O)c1=O 1588630754 AQJSPAOWTCGEAR-UHFFFAOYSA-N 295.295 -0.260 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCC[C@@H]2C[C@@]21C(=O)O 1590938605 HEVJUEDLDMUOJV-RNCFNFMXSA-N 283.328 -0.271 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C(=O)O)c1cccnc1 1593102435 RVACRIICCBFVHT-ZCFIWIBFSA-N 252.230 -0.442 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cc1)C1(O)COC1 1593161878 ITFQQTGEXYELGW-UHFFFAOYSA-N 276.256 -0.929 50 20 CBGD C[C@H]1[C@@H](C(=O)O)CCN1CC(=O)NNC(=O)C(C)(C)C 1594165667 FIEHFFXHLDSQIV-IUCAKERBSA-N 285.344 -0.025 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@H]1CC[C@H]1C(=O)O 1594746277 QLJIIUVEBFDPKA-JGVFFNPUSA-N 255.274 -0.162 50 20 CBGD O=C(O)CN(CC1CC1)C(=O)c1cccc(B(O)O)c1 1595072551 XQAVNWAMRWEEGM-UHFFFAOYSA-N 277.085 -0.697 50 20 CBGD Cn1nc(C(=O)O)cc1C(=O)NNC(=O)NC1CC1 1601001595 JWMNPCDJTLNZKN-UHFFFAOYSA-N 267.245 -0.775 50 20 CBGD N#Cc1nc(C(=O)O)ccc1N1CC[C@H](B(O)O)C1 1601133010 IGXXXAQTYAAVIU-ZETCQYMHSA-N 261.046 -0.295 50 20 CBGD O=C(O)[C@@H]1CC[C@H](C(=O)NNc2ncnc3[nH]cnc23)O1 1602177072 FLSFUKOTNDPPNI-RITPCOANSA-N 292.255 -0.572 50 20 CBGD COC(=O)[C@H](NNC(=O)C(=O)O)c1ccsc1 1606341683 GSRLPSQDYXLBMO-ZCFIWIBFSA-N 258.255 -0.332 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CNC1(CC(=O)O)CC1 1609653282 FPKKRUJLLBRJGI-UHFFFAOYSA-N 271.317 -0.223 50 20 CBGD Cc1cc(C(=O)NNC(=O)CO)cc(C)c1OCC(=O)O 1610436960 PGIKMDUAYDTJTR-UHFFFAOYSA-N 296.279 -0.480 50 20 CBGD O=C(NN=Cc1ccc(C(=O)O)nc1)C(=O)NC1CC1 1776027320 SGBCHZNLGLPBPU-UHFFFAOYSA-N 276.252 -0.492 50 20 CBGD Cc1nc(CC(=O)NNC(=O)C(=O)NC(C)C)cs1 48482464 YBZGYGZSYUDPIS-UHFFFAOYSA-N 284.341 -0.334 50 20 CBGD C=CCCO[C@H](C)C(=O)NNc1ccc(C(N)=O)nn1 268301073 XACXQGOAFFKKEV-MRVPVSSYSA-N 279.300 0.000 50 20 CBGD C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NN 270207410 IDLRXIFFFDQGJW-CQSZACIVSA-N 288.307 -0.025 50 20 CBGD CSCC[C@@H](O)C(=O)NNC(=O)c1ccccn1 270737299 DXRVCMFWUPNDTQ-SECBINFHSA-N 269.326 -0.043 50 20 CBGD O=C(CCn1cccn1)NNC(=O)N1CCOCC1 299408397 YTEKFNWJAROFEC-UHFFFAOYSA-N 267.289 -0.654 50 20 CBGD CO[C@H](C)CCNC(=O)c1ccc(B(O)O)c(F)c1 584939890 MJTLNJJUTPKXKC-MRVPVSSYSA-N 269.081 -0.340 50 20 CBGD Cc1nc([C@@H](C)NC(=O)c2ccc(B(O)O)cc2)no1 584963902 FAJVEQVMLUOHHN-SSDOTTSWSA-N 275.073 -0.451 50 20 CBGD O=C(N[C@@H]1CCCC[C@H]1O)c1cccc(B(O)O)c1 584963937 GGQSQQYDXDVFKK-VXGBXAGGSA-N 263.102 -0.600 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)CC[C@@H]1O 584972974 AQZKWZISXAWRPC-UFBFGSQYSA-N 281.092 -0.652 50 20 CBGD O=C(N[C@H]1CCC[C@H]1CCO)c1cc(B(O)O)ccc1F 584973901 KTEPHWAGTFAGLA-ZANVPECISA-N 295.119 -0.214 50 20 CBGD CN(C)[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)CC1 584981358 CKYWHXYYQRRADC-CQSZACIVSA-N 290.172 -0.077 50 20 CBGD N#C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)CC1(F)F 584991673 FRGAKZGHSUMVDY-JTQLQIEISA-N 294.066 -0.013 50 20 CBGD OB(O)c1ccc(CNC[C@H]2CCCC[C@@H]2O)o1 585025583 XXAANHPHFUNMDW-KOLCDFICSA-N 253.107 -0.400 50 20 CBGD CC[C@@H](NCc1ccc(B(O)O)cc1F)[C@H](C)O 585044549 MKTIQFMJQWYHDA-QPUJVOFHSA-N 255.098 -0.246 50 20 CBGD CCS(=O)(CC)=NS(=O)(=O)N1CC[C@H](B(O)O)C1 585057480 VFHOJUIIVWEFDA-QMMMGPOBSA-N 298.195 -0.712 50 20 CBGD COCC[C@@H](C)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 726261903 VVLCGVBQONIJIR-KOLCDFICSA-N 293.389 -0.208 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccco1 728437111 MDZTWEPYAPXNEY-ZETCQYMHSA-N 259.287 -0.333 50 20 CBGD COc1ccnc(NNC(=O)[C@H]2CCC(=O)N2)n1 729838515 NHAQVIANBLPJII-ZCFIWIBFSA-N 251.246 -0.793 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@H](C)N1CCN(C)CC1 732913120 UYQSIGUHAFAIFY-JTQLQIEISA-N 271.365 -0.639 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)C(=O)N1CCCC1 733776736 QOMHTJOJIJKCKK-KXUCPTDWSA-N 281.312 -0.676 50 20 CBGD CC(C)(C)C(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 733929665 GMKFVGFXBRBFRP-UHFFFAOYSA-N 295.295 -0.228 50 20 CBGD CC(C)CC(=O)NNS(=O)(=O)CCC(=O)O 736401377 ICKCRCIPDVXVST-UHFFFAOYSA-N 252.292 -0.542 50 20 CBGD O=C(CN1CCCC1=O)NNc1ncnc2[nH]cnc12 743471742 UBXUBZLGVGZPFO-UHFFFAOYSA-N 275.272 -0.582 50 20 CBGD O=C(CO)NNC(=O)c1ccc(-n2cccn2)nc1 753438300 MGOYVLSPJBUDKL-UHFFFAOYSA-N 261.241 -0.979 50 20 CBGD CC(C)NC(=O)c1ccc(NC(=O)NNC(=O)CO)cc1 756083890 HIEAUOSRRPBARA-UHFFFAOYSA-N 294.311 -0.030 50 20 CBGD NC(=O)c1ccc(NC(=O)NNC(=O)c2ccc[nH]2)cn1 757699080 AJEHRNSDVIWFRX-UHFFFAOYSA-N 288.267 -0.025 50 20 CBGD CC[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@@H]1O 761123185 KRNMGFRLXZPUQL-ZJUUUORDSA-N 271.361 -0.117 50 20 CBGD O=C(CO)NNC(=O)c1cc(F)ccc1N1CCOCC1 776188612 HMOXOZOSYLOUQS-UHFFFAOYSA-N 297.286 -0.584 50 20 CBGD C=CCNC(=O)CNC(=O)NNC(=O)Cc1ccncc1 776958190 LOUGXIAPKIWPSF-UHFFFAOYSA-N 291.311 -0.743 50 20 CBGD Cn1cc(C(=O)NNc2cccc(F)n2)c(=O)n(C)c1=O 804769314 KSCCWHZHUMZCRL-UHFFFAOYSA-N 293.258 -0.625 50 20 CBGD COC(=O)NNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F 806341304 FFTHRPYFJVGKIE-YFKPBYRVSA-N 283.206 -0.073 50 20 CBGD CO[C@H](C)CC(=O)NNC(=O)N1CCN(C)CC1 807379433 ZWYAWEKEZWHASZ-SECBINFHSA-N 258.322 -0.600 50 20 CBGD C[C@@](O)(C(=O)NNC(=O)Cc1cc[nH]n1)C1CCC1 813442900 HXJTXBSGJIITOH-LBPRGKRZSA-N 266.301 -0.349 50 20 CBGD COc1cccc(C(=O)NCC(=O)NNc2nc[nH]n2)c1 816631291 MJQSDDSQCMZVGL-UHFFFAOYSA-N 290.283 -0.314 50 20 CBGD C[C@@H](CO)N(C)NC(=O)C1(n2cnnn2)CCCCC1 823912173 BFDBEMLQXKMWEK-JTQLQIEISA-N 282.348 -0.324 50 20 CBGD C[C@@H](CO)N(C)NC(=O)/C=C\CN1CCOCC1 823922416 KRIFHPYOCMFOCG-BYCRGOAPSA-N 257.334 -0.781 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCc2n[nH]cc2C1 823940267 VTNMGDMAMTYWPM-RKDXNWHRSA-N 252.318 -0.142 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@]1(C)CCC(=O)N1 826946793 PXSQMIPARHUBMB-RVBZMBCESA-N 298.343 -0.590 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H](O)CCSC 854923437 VUBCINODEZQTBA-ZCFIWIBFSA-N 251.377 -0.432 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)c1cccc(F)n1 856423020 KJQKMGXOMURRNO-SNVBAGLBSA-N 296.302 -0.298 50 20 CBGD CC[C@H](CSC)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858346889 SXCODJOZZVJQKP-HTQZYQBOSA-N 288.373 -0.263 50 20 CBGD COC1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCC1 858353105 DLYUMBFWDCPGQI-QMMMGPOBSA-N 284.316 -0.836 50 20 CBGD NC(=O)[C@@H]1CCCN1CC(=O)NNC(=O)c1cccs1 859668006 QSENTPBXDGQYDD-QMMMGPOBSA-N 296.352 -0.541 50 20 CBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 862094904 RRMOAAOGFNAQCB-AEJSXWLSSA-N 271.317 -0.671 50 20 CBGD Cc1cccc(NNC(=O)CN2CCOCC2=O)n1 862521095 QIRUJCUWMJLEOI-UHFFFAOYSA-N 264.285 -0.308 50 20 CBGD CC(C)OC(=O)CNC(=O)c1ccc(B(O)O)cc1 863874359 QIJWEAKGSCMXAK-UHFFFAOYSA-N 265.074 -0.952 50 20 CBGD C#CC[C@@H](CCOC)NC(=O)c1ccc(B(O)O)cc1 863890136 LJZKMQWZEDZIKG-ZDUSSCGKSA-N 275.113 -0.475 50 20 CBGD C#CCSCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 892229971 YEAZNNQPBDPXFX-IUCAKERBSA-N 256.327 -0.075 50 20 CBGD C[C@]1(C(=O)NC(CO)CO)C[C@@H]1Br 907181736 IVORQZUBQIVNES-XPUUQOCRSA-N 252.108 -0.371 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 910139289 KFQWYMVNTPPQAB-VHSXEESVSA-N 295.343 -0.883 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCCCS1(=O)=O 910151235 AVJJLACASGZMGS-RKDXNWHRSA-N 264.347 -0.703 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1CC1(Cl)Cl 913730273 OQLNUPHUOXKONK-ZCFIWIBFSA-N 294.138 -0.050 50 20 CBGD O=C(CSC1CC1)NNC(=O)CN1CCCC1=O 913733319 DSJHKIQMTNZNEM-UHFFFAOYSA-N 271.342 -0.348 50 20 CBGD O=C(Cn1ccccc1=O)NNC(=O)NCC(F)(F)F 916524812 NLKDRXDOCQEDQP-UHFFFAOYSA-N 292.217 -0.259 50 20 CBGD CN1C(=O)CS/C1=C\C(=O)NNc1nccn(C)c1=O 1119454607 HMGNNPGMWZDORU-UITAMQMPSA-N 295.324 -0.730 50 20 CBGD CCO/C=C(/C#N)C(=O)N1C[C@@H](CO)[C@H](CO)C1 1301427330 QLCXYKIVFYFQJS-QGNYPYLESA-N 254.286 -0.510 50 20 CBGD COC(=O)C(=O)NNC(=O)NC1Cc2ccccc2C1 1320508943 FHGSZPQNMBBEMI-UHFFFAOYSA-N 277.280 -0.343 50 20 CBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccco1 1320563470 XFHSIMZROUSYSO-UHFFFAOYSA-N 275.286 -0.886 50 20 CBGD CNC(=O)CCCC(=O)NNC(=O)Cc1ccncc1 1320822772 NRUVHVNDVBSHID-UHFFFAOYSA-N 278.312 -0.312 50 20 CBGD COC(=O)C(=O)NN=C(C)C(C)(C)n1cncn1 1322444821 AKPNFPXZZYXLFH-UHFFFAOYSA-N 253.262 -0.322 50 20 CBGD COC(=O)[C@H](NNC(=O)c1cnn(C)c1)c1cccnc1 1324166695 GLBRVECYSDWVTM-LLVKDONJSA-N 289.295 -0.036 50 20 CBGD CN(C)CCCCC(=O)NNC(=O)Cc1cc[nH]n1 1325321094 JHPGRNNGHDNPPI-UHFFFAOYSA-N 267.333 -0.169 50 20 CBGD CCCNC(=O)NNC(=O)CCCCCS(N)(=O)=O 1328669428 CWONTPFQXAEQLH-UHFFFAOYSA-N 294.377 -0.424 50 20 CBGD O=C(NN=C1CCCn2ccnc21)[C@@H]1CCS(=O)(=O)C1 1329099823 ORBCWXCQNRLYKN-SECBINFHSA-N 296.352 -0.068 50 20 CBGD COC(=O)C(=O)NN=Cc1cnc2n1CCOC2 1333218447 IQIHEHUCSSGIQT-UHFFFAOYSA-N 252.230 -0.964 50 20 CBGD CC(C)(C)C(=O)NNC(=O)c1cnn(CCO)c1 1346181943 VEFSCYWLDIQUBS-UHFFFAOYSA-N 254.290 -0.318 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCC[C@H](F)C1 1349081874 LUNAJAZQMIOARU-BQBZGAKWSA-N 261.253 -0.230 50 20 CBGD COC(=O)Cc1ccc(NNC(=O)[C@@H]2C[C@@H](O)CN2)cc1 1573922515 VYIHKLBYMZFTLH-NEPJUHHUSA-N 293.323 -0.432 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@@H]1CCN1)N1CCCCCC1 1575068849 HRYYBXVVXHSQIV-MNOVXSKESA-N 268.361 -0.240 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)CC1CCNCC1 1576929429 NQSGXAKGSLSGGT-JTQLQIEISA-N 270.377 -0.136 50 20 CBGD COc1cc(C)nc(NNC(=O)N[C@H]2CNOC2)n1 1579146965 XRWIOBMIPYVYAL-ZETCQYMHSA-N 268.277 -0.677 50 20 CBGD O=C(NNC(=O)[C@H]1CCCNC1)c1ccnc(CO)c1 1580733149 NGCUOUUGGREZJN-JTQLQIEISA-N 278.312 -0.666 50 20 CBGD O=C(NNC(=O)[C@@H]1NCCc2occc21)c1cn[nH]c1 1580736185 NOEJORKLZAMJQA-SNVBAGLBSA-N 275.268 -0.349 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C12CC(C(=O)O)(C1)C2 1594643867 YYQLWLPIXKNOIN-RSRXSIIXSA-N 282.296 -0.186 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(C(=O)O)nn1C 1604834307 JNRJIVJJPFMUFG-BQBZGAKWSA-N 296.283 -0.696 50 20 CBGD O=C(O)Cc1occc1C(=O)NNC(=O)c1ncccn1 1608794015 BPISJXQJDTZEQC-UHFFFAOYSA-N 290.235 -0.229 50 20 CBGD O=C(NNC(=O)C(=O)O)NC1CCN(CC2CC2)CC1 1610699426 ZGLBFWGEBFFTDG-UHFFFAOYSA-N 284.316 -0.724 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc(Cl)nc2)N1 264385150 LBCDTFOMCVMFMI-SSDOTTSWSA-N 282.687 -0.225 50 20 CBGD CC(C)CC(=O)NNC(=O)N[C@@H](C)C(=O)N(C)C 276857511 ZMFCCDNEJCVOQJ-QMMMGPOBSA-N 258.322 -0.160 50 20 CBGD O=C(O)NCC(=O)NNC(=O)COCc1ccccc1 285580089 HCSNHVCPZVGUPQ-UHFFFAOYSA-N 281.268 -0.382 50 20 CBGD C[C@@]1(CNC(=O)c2ccc(B(O)O)c(F)c2)CCOC1 584946501 TYZAREMUEVCRMG-ZDUSSCGKSA-N 281.092 -0.338 50 20 CBGD C[C@H]1CN(C)C[C@@H]1NC(=O)c1cccc(B(O)O)c1 584958957 WFAKJQBAEISQRC-CABZTGNLSA-N 262.118 -0.954 50 20 CBGD C[C@H](O)[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584965511 SCWQYIQFLVVCMO-JQWIXIFHSA-N 277.129 -0.401 50 20 CBGD C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)c1cccc(B(O)O)c1 584985032 GERUICZRRVANMJ-ZLMDCXFVSA-N 295.169 -0.652 50 20 CBGD C[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C[C@H]1CO 585010015 GUFMJOMTEOTUOT-JQWIXIFHSA-N 277.129 -0.543 50 20 CBGD C[C@H](CNCc1ccc(B(O)O)cc1F)N1CCOCC1 585015162 QQFCIUXGYUKWQH-LLVKDONJSA-N 296.151 -0.684 50 20 CBGD C[C@H]1CN(C)CC[C@H]1NCc1ccc(B(O)O)cc1F 585022583 RQQPWLUBPADVTD-IINYFYTJSA-N 280.152 -0.065 50 20 CBGD CSC[C@@H](CCO)NCc1ccc(B(O)O)cc1F 585028315 JASQKSQEPMHUDB-LLVKDONJSA-N 287.165 -0.291 50 20 CBGD Cc1ccncc1CCNCc1ccc(B(O)O)o1 585047544 RFOWWHWYBJWEFB-UHFFFAOYSA-N 260.102 -0.005 50 20 CBGD Cc1cc(S(=O)(=O)NCB(O)O)c2ncccc2c1 585054883 SNBZZQVBMKYKKJ-UHFFFAOYSA-N 280.114 -0.166 50 20 CBGD CCn1cc(S(=O)(=O)N2CC[C@H](B(O)O)C2)nc1C 585058512 HGKDYPKFMMLLCA-VIFPVBQESA-N 287.150 -0.551 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNC(=S)NCC1CCC1 727866965 IQILLRIMEGIIFV-LURJTMIESA-N 273.362 -0.661 50 20 CBGD CCn1cc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)cn1 732532590 NDXCVYIYTAACFX-MRVPVSSYSA-N 287.345 -0.709 50 20 CBGD COC(=O)C1CCN(CC(=O)NNC(=O)C2CC2)CC1 733193161 GGKOKBAECLCLQR-UHFFFAOYSA-N 283.328 -0.571 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)NCc2ccco2)CCC1 747909184 SWISYQYSUQEYEQ-UHFFFAOYSA-N 280.284 -0.234 50 20 CBGD CCCNC(=S)NNC(=O)C(=O)N1CCCC1 748152046 PZDUSELRDPJMFA-UHFFFAOYSA-N 258.347 -0.486 50 20 CBGD CCCCO[C@@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 748246222 VRBZRIMAYNGCSX-JTQLQIEISA-N 285.344 -0.039 50 20 CBGD CC[C@@H](C)OCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 751563228 QLSVJAOGTMXWOZ-RKDXNWHRSA-N 292.357 -0.616 50 20 CBGD NC(=O)CSCC(=O)NNc1cc(Cl)nc(N)n1 753456873 FZICKTUURKSNGV-UHFFFAOYSA-N 290.736 -0.626 50 20 CBGD COC[C@H](C)CC(=O)NNC(=O)C(=O)NC1CC1 755065657 UVIQPKPOEPGZRO-SSDOTTSWSA-N 257.290 -0.915 50 20 CBGD CCC[C@@](C)(O)C(=O)NNC(=O)C(=O)NC(CC)CC 770995903 JHVJMDYIUVZDIU-CYBMUJFWSA-N 287.360 -0.010 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(C)cc(C)n1 773550376 OLIZUUNMFXNXBD-UHFFFAOYSA-N 294.311 -0.179 50 20 CBGD CC[C@@H](C(=O)NNC(=O)NC)N1CCO[C@H](CC)C1 773851109 ZTHXCCFJEXOYRL-ZJUUUORDSA-N 272.349 -0.164 50 20 CBGD CC[C@H]1C[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)CCO1 779892453 JBXGUYXLQJSEND-QWRGUYRKSA-N 297.355 -0.039 50 20 CBGD O=C(NNC(=O)c1cnn[nH]1)c1cc(O)cc([N+](=O)[O-])c1 780480971 VWCXEIVXXGWMDC-UHFFFAOYSA-N 292.211 -0.507 50 20 CBGD CCC(CC)NC(=O)C(=O)NN=Cc1cnc(N)nc1 781594944 UDJHEKIYRMKLNN-UHFFFAOYSA-N 278.316 -0.186 50 20 CBGD NC(=O)C(=O)NN=Cc1ccnn1-c1ccc(F)cc1 794458694 AIODIHIXZFNNSF-UHFFFAOYSA-N 275.243 -0.053 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)C1=COCCO1 802032927 ZOARKLKCYZDSGE-UHFFFAOYSA-N 264.241 -0.456 50 20 CBGD CCOCC(=O)NN=Cc1ccc(S(N)(=O)=O)cc1 811642275 KWNUNJOTWIZXMQ-UHFFFAOYSA-N 285.325 -0.179 50 20 CBGD CN(CC(Cl)Cl)C(=O)Cn1ccc(=O)n(C)c1=O 816628304 PNOFMFGTAIXHNJ-UHFFFAOYSA-N 294.138 -0.191 50 20 CBGD O=C(Cn1cc([N+](=O)[O-])cn1)NNc1ncncc1F 817079138 JBZJTVYRGSMRRR-UHFFFAOYSA-N 281.207 -0.136 50 20 CBGD C#CCN1CCC(C(=O)NN(C)C[C@@H](C)O)CC1 820365097 UDXMVFMSBSQYFY-LLVKDONJSA-N 253.346 -0.325 50 20 CBGD O=C(NNC(=O)C1CC2(CC2)C1)C(=O)N1CCCC1 824877680 VBUSCXYFVKLSDI-UHFFFAOYSA-N 265.313 -0.054 50 20 CBGD C[C@H](O)CN1CCN(S(=O)(=O)CCl)CC1 830623510 UPFUWXMAWPWZHL-QMMMGPOBSA-N 256.755 -0.489 50 20 CBGD CC(=O)NCC(=O)NNc1cccc(C(=O)O)c1 833396338 HBAHNAAYVMXCPH-UHFFFAOYSA-N 251.242 -0.036 50 20 CBGD COc1ccc(S(=O)(=O)CCC(=O)NN)cc1OC 843450532 JSSSLDMMQDZZRA-UHFFFAOYSA-N 288.325 -0.143 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@](C)(O)C2CC2)CC1 854383109 WBWDGWGODOKYCJ-LBPRGKRZSA-N 270.333 -0.864 50 20 CBGD C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)C(=O)NC2CC2)[C@@H]1C 858167603 FQEYFNULCKQCBF-IBCQBUCCSA-N 283.328 -0.528 50 20 CBGD CC(C)CONC(=O)NNC(=O)[C@H]1CCC(=O)N1 858313551 FZQAQUUQEUTXCS-SSDOTTSWSA-N 258.278 -0.817 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2cccnc2)N1 860466475 YKYDCDNZGREUHR-MRVPVSSYSA-N 263.257 -0.487 50 20 CBGD CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1cn[nH]c1 862475013 WBSQLRSAHKXGHP-JTQLQIEISA-N 279.300 -0.428 50 20 CBGD O=C1CC[C@@H](C(=O)NN=C2CCN3CCC[C@H]23)N1 863148017 QXPXWSVKGZEQDX-VHSXEESVSA-N 250.302 -0.395 50 20 CBGD CC(C)OCCONC(=O)c1cccc(B(O)O)c1 863882614 NOBSQRFFRQILKM-UHFFFAOYSA-N 267.090 -0.547 50 20 CBGD CCC(=O)NNS(=O)(=O)c1cnc2n1CCCC2 901829005 YVHQJOCQLJQCSK-UHFFFAOYSA-N 272.330 -0.061 50 20 CBGD CO[C@@]1(C(=O)N2CC[C@H](B(O)O)C2)CCSC1 902552497 NELYGGPSWSLFLF-WPRPVWTQSA-N 259.136 -0.416 50 20 CBGD COc1ncc(/C=C\C(=O)NN(C)C[C@@H](C)O)cn1 910157910 BHGXMVJBKPRQQQ-XRVBUDJMSA-N 266.301 -0.158 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccccc2)c(O)nc1=O 915056578 RURMEBZBIKSEFE-UHFFFAOYSA-N 288.263 -0.439 50 20 CBGD O=C(NNC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccncc1 919147899 QLHHZMDKOXSGRJ-JTQLQIEISA-N 288.307 -0.147 50 20 CBGD C=CCNC(=S)NNC(=O)CCN1C(=O)CCC1=O 920431281 WINIFQCEFYZUPV-UHFFFAOYSA-N 284.341 -0.793 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2CCO[C@H]2C)nc1O 1116457109 HOKCHLUEYVOPPK-BQBZGAKWSA-N 253.262 -0.246 50 20 CBGD O=C(NC[C@@H]1CCCS(=O)(=O)C1)NNc1cccnn1 1117316945 FZOBNBGRLCFOHJ-VIFPVBQESA-N 299.356 -0.073 50 20 CBGD Cc1cncc(/C=C\C(=O)NNC(=O)CS(C)(=O)=O)c1 1118895205 KRVCVZQAQDAXML-ARJAWSKDSA-N 297.336 -0.405 50 20 CBGD O=C(NC[C@H]1COCO1)NNC(=O)C1CCOCC1 1119684287 SAGDKGGLGIEKFF-VIFPVBQESA-N 273.289 -0.884 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCOC2CCOCC2)cn1 1252732469 GVABKTJYTYIOIB-UHFFFAOYSA-N 296.327 -0.233 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)C(=O)NCC(F)F 1255918341 CGENROZWNRHUDG-UHFFFAOYSA-N 286.238 -0.847 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cn(C)nc1C(F)(F)F 1321801110 NQUUDOKIUSEJRH-UHFFFAOYSA-N 293.249 -0.239 50 20 CBGD COCCONC(=O)NNc1ccc(-n2ccnc2)nn1 1323311583 QGYDLTCDQGFGAZ-UHFFFAOYSA-N 293.287 -0.134 50 20 CBGD CC(=O)NNC(=O)c1cc(S(N)(=O)=O)oc1C 1325108095 NQDLYTOFXVGTPX-UHFFFAOYSA-N 261.259 -0.984 50 20 CBGD Cc1cc(CNC(=O)NNC(=O)C2CCOCC2)n(C)n1 1333161733 SGYJVQICMYWBMI-UHFFFAOYSA-N 295.343 -0.014 50 20 CBGD C[C@H]1OCCN(C(=O)NNC(=O)c2cn[nH]c2)[C@@H]1C 1334930150 JGDJXQAOOJTZTM-HTQZYQBOSA-N 267.289 -0.127 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCc2cncnc2)cn1 1347653921 GJWDCCOLGCKJQQ-UHFFFAOYSA-N 274.284 -0.396 50 20 CBGD Cc1nc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)oc1C 1351662655 KURQBYMYFTXKPV-SSDOTTSWSA-N 281.272 -0.277 50 20 CBGD CC(=O)N[C@](C)(C(=O)NNC(=O)C1CCNCC1)C(C)C 1574999135 XKXQLYPZGOCRBU-AWEZNQCLSA-N 298.387 -0.316 50 20 CBGD O=C(NNC(=O)[C@H]1Cc2ccccc2CN1)c1ncon1 1580736180 NGRRXEODYMVFRD-SNVBAGLBSA-N 287.279 -0.455 50 20 CBGD COCCN(C)NC(=O)c1ccc(-c2nn[nH]n2)cn1 1591420354 FKBSFCXJDCFXJM-UHFFFAOYSA-N 277.288 -0.515 50 20 CBGD Cc1cc(C(=O)NNC(=O)CN(C)C)oc1C(=O)O 1600095557 MXOLMWUMELOZOR-UHFFFAOYSA-N 269.257 -0.391 50 20 CBGD O=C(O)CNC(=O)NN=C1CCO[C@@]12CCOC2 1602071256 KIHBHBSOLBTIMB-SNVBAGLBSA-N 257.246 -0.694 50 20 CBGD C=CCOCC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1602870210 IWDOTELCNFMLEY-UHFFFAOYSA-N 275.272 -0.093 50 20 CBGD CC[C@H](C)[C@H](NNC(=O)[C@H]1CCC(=O)N1)C(=O)O 1604947234 QLTLSLXHIQQCAX-OOZYFLPDSA-N 257.290 -0.615 50 20 CBGD O=C(O)Cc1sccc1C(=O)NNC(=O)c1ncon1 1608795609 GPJFBKASTRINQJ-UHFFFAOYSA-N 296.264 -0.167 50 20 CBGD COC(=O)CNC(=O)NN=Cc1ccc(C(=O)O)nc1 1776052436 LAQQQTXJSPLACP-UHFFFAOYSA-N 280.240 -0.414 50 20 CBGD NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796362828 MJTZACTVSRDWJH-BKFJMODKSA-N 293.726 -0.931 50 20 CBGD O=C(CN1CCOCC1)NNC(=O)c1ccccc1 38334003 MMNZHBCEYHRGQU-UHFFFAOYSA-N 263.297 -0.220 50 20 CBGD COCC(=O)N[C@H](C(=O)NNc1ncccn1)C(C)C 265854034 CHSXOXYLBSIINK-JTQLQIEISA-N 281.316 -0.293 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCc2cnccn2)[nH]n1 281181413 LWYKGWLJUDAIPU-UHFFFAOYSA-N 274.284 -0.098 50 20 CBGD O=C(CN1CCCS1(=O)=O)NNc1cccc(F)n1 286574785 MINJIRPHUUVPEY-UHFFFAOYSA-N 288.304 -0.301 50 20 CBGD CCOC1CC(C(=O)NNC(=O)C(=O)NC2CC2)C1 286657053 LEYINMSSCSKZAA-UHFFFAOYSA-N 269.301 -0.773 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cc(CN2CCCC2)on1 293095929 ZBWKEZXWYOCJDZ-UHFFFAOYSA-N 296.327 -0.198 50 20 CBGD COC[C@H](C)CN(C)C(=O)c1ccc(B(O)O)cc1 584961848 YIXVYFULAIMHFS-SNVBAGLBSA-N 265.118 -0.279 50 20 CBGD CC(C)(O)[C@@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 584964163 DKZWCHFMKGJDAV-LBPRGKRZSA-N 277.129 -0.258 50 20 CBGD CC[C@@](C)(CO)CNC(=O)c1cccc(B(O)O)c1 584964685 KKCQBMUWILNERG-CYBMUJFWSA-N 265.118 -0.495 50 20 CBGD C[C@H](CCN(C)C)NCc1cccc(B(O)O)c1 585020567 BGUNOMLXRBHVJQ-LLVKDONJSA-N 250.151 -0.204 50 20 CBGD CC(C)NC(=O)C[C@H](C)NCc1ccc(B(O)O)cc1 585024239 VOZCKWCVSKVXAP-NSHDSACASA-N 278.161 -0.241 50 20 CBGD OCC[C@H](NCc1ccc(B(O)O)cc1)C1CCOCC1 585036278 HAYRGAYTZUKYJJ-HNNXBMFYSA-N 293.172 -0.366 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CCO1 744384929 BMDIOQIJNVJXSA-VIFPVBQESA-N 257.334 -0.099 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H]1CCSC1 748637168 XHXWCMYWKMHAGA-IUCAKERBSA-N 291.373 -0.126 50 20 CBGD Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=O)CO 753440583 VNBHETHQTWKRGW-ZCFIWIBFSA-N 254.290 -0.340 50 20 CBGD CC(=NNC(=O)C(N)=O)c1cc(C(=O)O)ccc1O 757451303 MKNBNZZNLNKMNB-UHFFFAOYSA-N 265.225 -0.584 50 20 CBGD CCn1cc(NC(=O)NNC(=O)COC)ccc1=O 761860788 AONMEEIGQXEMAQ-UHFFFAOYSA-N 268.273 -0.333 50 20 CBGD COC(=O)CCCC(=O)NNc1ccc(C(N)=O)nn1 764458246 AUDKRIKNMLZCCG-UHFFFAOYSA-N 281.272 -0.638 50 20 CBGD CC(=O)NNC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 768920436 FRVGSQOLKDUHJB-CYBMUJFWSA-N 290.279 -0.478 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c(C)noc1N 771913957 OKMWCJWTNUZCGY-LURJTMIESA-N 284.272 -0.332 50 20 CBGD CCO[C@H]1C[C@@H]1C(=O)NNC(=O)N1CCN(C)CC1 773675356 ZKXXXMMCTHDKPJ-UWVGGRQHSA-N 270.333 -0.600 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](O)[C@@H](C)C1 778258735 PYHTWWBEGLWUTJ-LPEHRKFASA-N 257.334 -0.365 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 781063659 JPWHSJZYLAFFJQ-JTQLQIEISA-N 299.375 -0.911 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C[C@@H]1CCSC1 782222026 QTUGVKZSRGYPHR-SFYZADRCSA-N 279.387 -0.221 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H](COC)[C@@H]1CCCO1 789380704 AWXFFXVTCUSDOC-DCAQKATOSA-N 287.360 -0.284 50 20 CBGD C=CCNC(=S)NNC(=O)C(C)(C)NC(C)=O 798306310 DGRWRIRACHZCDE-UHFFFAOYSA-N 258.347 -0.418 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)C1CCCC1 806444022 XXNOXMKZYXXGIV-SECBINFHSA-N 253.302 -0.055 50 20 CBGD O=C(O)c1cc(C=NNC(=O)[C@H]2COCCO2)c[nH]1 814859985 ACMULKCBCXYGJZ-SECBINFHSA-N 267.241 -0.422 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cc(F)c[nH]1 815475353 IJUIKGKLKDJZBO-UHFFFAOYSA-N 251.221 -0.119 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCc2cnn(C)c2C1 823928038 JPRYDXNQNIZQNT-NXEZZACHSA-N 266.345 -0.131 50 20 CBGD CNc1nnc(CC(=O)NN(C)[C@H](C)CO)s1 823935567 TWEOMFFKDXHKSW-ZCFIWIBFSA-N 259.335 -0.534 50 20 CBGD C[C@@H](NNC(=O)[C@@H]1CSCC(=O)N1)C(F)(F)F 826941109 HWPFPLRJESXJNV-UHNVWZDZSA-N 271.264 -0.210 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@H](F)C(F)(F)F 827831971 QSAIPPVUVBARAG-ZETCQYMHSA-N 285.197 -0.343 50 20 CBGD CC(C)(C)n1nnc(CC(=O)NNc2cccnn2)n1 832044074 JZAVNSBBQHZINQ-UHFFFAOYSA-N 276.304 -0.096 50 20 CBGD COC(=O)CNC(=O)NN=C(C)CCC(=O)N(C)OC 834972327 ASIVRSGDFDKPBX-UHFFFAOYSA-N 288.304 -0.366 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnns1 843642982 HIPDMGZENRGZMD-NTSWFWBYSA-N 256.287 -0.276 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CCCS(=O)(=O)C1 845925608 LVFJFBANQRTHOT-QMMMGPOBSA-N 277.346 -0.496 50 20 CBGD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCCSC#N 854360957 IPZVAUUKVWLPDH-SCZZXKLOSA-N 285.369 -0.017 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccn2nnnc2c1 855005985 KZOLYMDZJMVPJS-CBAPKCEASA-N 290.283 -0.690 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NOC2CCCC2)N1 858346579 JUCLOLHXSWLIOC-MRVPVSSYSA-N 270.289 -0.530 50 20 CBGD C[C@H](NNC(=O)CN1C(=O)CN(C)C1=O)C(F)(F)F 862305555 QEOOIVCBEGQCLB-YFKPBYRVSA-N 282.222 -0.548 50 20 CBGD O=C1CC[C@@H](C(=O)NN=C2CCCn3nccc32)N1 863151354 LCZMEULQOIFGOM-VIFPVBQESA-N 261.285 -0.224 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)CCOCCNC 863554447 ZFFKQAPKJOUXCP-JTQLQIEISA-N 274.365 -0.900 50 20 CBGD C#CC[C@H](CCOC)NCc1ccccc1B(O)O 863892198 PCUXNOKRYQVFQI-CYBMUJFWSA-N 261.130 -0.116 50 20 CBGD CO[C@H](C)CC(=O)NNC(=O)Cc1cc(C)[nH]n1 869012447 RIEAZKHIWGLPSS-MRVPVSSYSA-N 254.290 -0.167 50 20 CBGD O=S(=O)(CCCCl)N1CC(N2CC[C@@H](O)C2)C1 882322871 SEXQZWVAQWUDEX-SNVBAGLBSA-N 282.793 -0.304 50 20 CBGD OB(O)c1cccc(CNCC2CC3(C2)OCCO3)c1 896909088 PERIZBXCRHIBRU-UHFFFAOYSA-N 277.129 -0.391 50 20 CBGD COC(=O)N1CCC(C(=O)NN(C)C[C@@H](C)O)CC1 910138912 MOBUHSQAQONTMM-SECBINFHSA-N 273.333 -0.191 50 20 CBGD CS(=O)(=O)CCC(=O)NNC(=O)c1ccccn1 916724895 ZQFDNPVODYIAPC-UHFFFAOYSA-N 271.298 -0.723 50 20 CBGD CC(C)(C)NCCC(=O)NNC(=O)C(=O)N1CCCC1 931248808 ZOWFPRYQZWKADP-UHFFFAOYSA-N 284.360 -0.466 50 20 CBGD COCCN(C)c1ccc(C=NNC(=O)CCO)cn1 1116761275 YXWFCMPZFBQFID-UHFFFAOYSA-N 280.328 -0.003 50 20 CBGD CC(C)N1CCC(C(=O)NNC(=O)C(=O)NC2CC2)CC1 1117784544 SCXRGATZKYUQRM-UHFFFAOYSA-N 296.371 -0.467 50 20 CBGD O=C(NNc1ncccn1)[C@@H]1CCCS1(=O)=O 1118378788 RWZPAAHSABTRPC-ZETCQYMHSA-N 256.287 -0.503 50 20 CBGD Cc1ccc(C(=O)NNC(=S)NCC(N)=O)o1 1252686012 UBACCRDUFCQFCN-UHFFFAOYSA-N 256.287 -0.818 50 20 CBGD C[C@H]1CCN(CCNC(=O)NNC(=O)c2cccnn2)C1 1262376892 GCIRAWNZUCPCQI-JTQLQIEISA-N 292.343 -0.238 50 20 CBGD CN(NC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1)C(N)=O 1320170069 JKWMHXMNLBLRKJ-UHFFFAOYSA-N 290.283 -0.774 50 20 CBGD Cc1ncsc1CCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329531565 UWUAKFJJFUQYMS-QMMMGPOBSA-N 296.352 -0.190 50 20 CBGD CNC(=O)CCCCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1329546270 BMDSGTBOZJELSP-NXEZZACHSA-N 285.344 -0.135 50 20 CBGD Cc1nccnc1C(=O)NNC(=O)C1CCOCC1 1330839323 CURKUEJKUQRSSX-UHFFFAOYSA-N 264.285 -0.027 50 20 CBGD CC(C)[C@@]1(CO)CCN(C(=O)c2cccc(B(O)O)c2)C1 1332132295 SWBZQQAIGIMHMU-HNNXBMFYSA-N 291.156 -0.153 50 20 CBGD CC(C)(C)NCC(=O)NNC(=O)CN1CCCC1=O 1333422948 CBVBNIUEENATDK-UHFFFAOYSA-N 270.333 -0.856 50 20 CBGD CO[C@H]1CCC[C@H]1C(=O)NNC(=O)C(=O)NC(C)C 1338588973 KAJWXFBVGWJTPB-BDAKNGLRSA-N 271.317 -0.527 50 20 CBGD Cc1nscc1C(=O)NNC(=O)C(=O)NC1CC1 1342048201 DLHHQFNZMYCKSK-UHFFFAOYSA-N 268.298 -0.509 50 20 CBGD COCc1cc(C=NNC(=O)C(=O)NC(C)C)no1 1345369518 XVAUZAXYEIKDBE-UHFFFAOYSA-N 268.273 -0.204 50 20 CBGD C[C@@H](NNC(=O)Cn1cnc(C#N)n1)C(F)(F)F 1348383210 HVKQXDRXERFNEJ-RXMQYKEDSA-N 262.195 -0.279 50 20 CBGD C[C@@H]1CNc2c(C(=O)NN(C)[C@H](C)CO)cnn2C1 1548722957 AWTKXNOCKYSCIU-RKDXNWHRSA-N 267.333 -0.098 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@@H](C(=O)O)C1 1588799484 LAEPJHXHSVUYTA-MRVPVSSYSA-N 257.290 -0.804 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](C(=O)O)[C@H](C)C1 1589424916 FQOXWWTZPBFQMY-KXUCPTDWSA-N 285.344 -0.025 50 20 CBGD CC1=NO[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cn2)C1 1590163113 QXQSPRHNAXEMJT-MRVPVSSYSA-N 288.271 -0.130 50 20 CBGD C[C@@]1(CNC(=O)NNC(=O)C(=O)O)CC1(F)F 1594020243 QHUSFNISTZXTQP-ZETCQYMHSA-N 251.189 -0.553 50 20 CBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)Cc1ccncc1 1594228298 YFBLQODKLQQAEP-OQPBUACISA-N 277.280 -0.118 50 20 CBGD CCC[C@](C)(NC(=O)c1cccc(B(O)O)c1)C(=O)O 1595552914 BDRKHGFJTLFDOU-ZDUSSCGKSA-N 279.101 -0.260 50 20 CBGD O=C(NCc1ccn2ccnc2c1)NNC(=O)C(=O)O 1601544672 DVDWNYFANXLKNS-UHFFFAOYSA-N 277.240 -0.751 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cscc1-c1nn[nH]n1 1603699422 JVGGSQWLTVUEJJ-ZCFIWIBFSA-N 282.329 -0.114 50 20 CBGD CNC(=O)NNC(=O)c1cc(C)c(-c2nn[nH]n2)cn1 1604886129 LYYBICWXPQEMIB-UHFFFAOYSA-N 276.260 -0.856 50 20 CBGD COc1nc(C)cc(C)c1CNC(=O)NNC(=O)C(=O)O 1607356191 YZIIFSGPQSPPRN-UHFFFAOYSA-N 296.283 -0.378 50 20 CBGD CCc1oc(C(=O)O)cc1S(=O)(=O)NNC(C)=O 1610077022 HNHGVSDUHMAMQS-UHFFFAOYSA-N 276.270 -0.130 50 20 CBGD O=C(NNC(=O)c1ccc(C(=O)O)[nH]1)NC1CC1 1610699980 JBXJNNANWIRIQG-UHFFFAOYSA-N 252.230 -0.181 50 20 CBGD C[C@H]1CN(C)C[C@H](C(=O)NN=C2CC(C(=O)O)C2)O1 1776092528 QNYLYOLONOSVDF-HKJUDDBKSA-N 269.301 -0.328 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc2c(c1)CCO2 43743959 PCAAUOZQMADINL-UHFFFAOYSA-N 291.307 -0.093 50 20 CBGD CCCCNC(=O)NNC(=O)CN(C)C(=O)OC 49143625 WBHKKPLFILLIBD-UHFFFAOYSA-N 260.294 -0.185 50 20 CBGD O=C(COc1cccnc1)NNC(=O)C(=O)N1CCCC1 263967859 TWWVIPPPAVEHAI-UHFFFAOYSA-N 292.295 -0.770 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1nccnc1C1CCC1 287337293 YNFOCWZIVSXDNG-UHFFFAOYSA-N 299.356 -0.264 50 20 CBGD COC(=O)C[C@H](C)CC(=O)NNC(=O)[C@@H]1CCCO1 295393020 RRIFSBALQVCCPH-BDAKNGLRSA-N 272.301 -0.098 50 20 CBGD CN1CCC(=O)Nc2cc(C(=O)NNC(=O)CO)ccc21 363856566 XUHNISQILFOCOR-UHFFFAOYSA-N 292.295 -0.782 50 20 CBGD CCOC(=O)NNC(=O)CCCS(C)(=O)=O 491302168 WVFOJMIBKOIIDR-UHFFFAOYSA-N 252.292 -0.412 50 20 CBGD COC(=O)NNS(=O)(=O)CCOCC(F)(F)F 496345013 PCSNWDSIPREGNH-UHFFFAOYSA-N 280.224 -0.244 50 20 CBGD CO[C@H](C(=O)Nc1cccc(B(O)O)c1)[C@H]1CCOC1 584913042 ZAUQVYQPUWCMMO-CABZTGNLSA-N 279.101 -0.644 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)[C@H](C)CO1 584929070 ZMVXGWFPBRUNAN-NXEZZACHSA-N 263.102 -0.384 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N(CCCCO)C1CC1 584964319 BWZRGJQRSNFYQO-UHFFFAOYSA-N 295.119 -0.117 50 20 CBGD CN1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1(C)C 584985331 KIWBUDPLJPLEQU-UHFFFAOYSA-N 294.135 -0.328 50 20 CBGD Cc1nc([C@H](C)NC(=O)c2cccc(B(O)O)c2)n[nH]1 584989041 JVWSNTYQCSDYGI-ZETCQYMHSA-N 274.089 -0.716 50 20 CBGD CC(C)[C@H](NCc1ccc(B(O)O)cc1)c1nncn1C 585039990 CWWZDACQZDECIV-ZDUSSCGKSA-N 288.160 -0.018 50 20 CBGD Cc1cc(F)c(S(=O)(=O)NCB(O)O)cc1F 585056538 XKURYJROCCSCOR-UHFFFAOYSA-N 265.046 -0.436 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccon1 725740070 BTKJZRKEWKOUEL-UHFFFAOYSA-N 278.224 -0.541 50 20 CBGD CNS(=O)(=O)c1ccc(Cl)c(C(=O)NN)c1 731450478 XVOVJWDISYVRTA-UHFFFAOYSA-N 263.706 -0.148 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CN(C)C(=O)C1CC1 733152899 UOWKORVKYKRBSJ-UHFFFAOYSA-N 279.300 -0.652 50 20 CBGD Cc1cc(C)n(CCC(=O)NNC(=O)CN(C)C)n1 733359216 HZMAJOSRRGEKGA-UHFFFAOYSA-N 267.333 -0.401 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCS(=O)(=O)CC 746510353 LTAYAWPGRIFRLT-CMDGGOBGSA-N 260.315 -0.019 50 20 CBGD CCC[C@H](O)CC(=O)NNC(=O)C(=O)NC(C)C 750091454 KQUJKQGVCMYXTG-QMMMGPOBSA-N 259.306 -0.791 50 20 CBGD COCCCOc1cccc(C(=O)NNC(=O)CO)c1 753443082 RQBCUJWKWCGBOY-UHFFFAOYSA-N 282.296 -0.145 50 20 CBGD Cc1c(CCC(=O)NNC(=O)c2cnn(C)c2)cnn1C 759126749 MONINSNSEFMLSU-UHFFFAOYSA-N 290.327 -0.144 50 20 CBGD CC[C@H]1CN([C@@H](CC)C(=O)NN(C)C(N)=O)CCO1 774092825 PYFWCAPFNUQOCP-UWVGGRQHSA-N 272.349 -0.083 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 786919133 OTTYMFPDAKOJRX-RKDXNWHRSA-N 293.327 -0.229 50 20 CBGD O=C1CCC[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)N1 802031601 KEYNLHPZMKWTTN-SECBINFHSA-N 277.284 -0.675 50 20 CBGD COc1ncc(C=NNC(=O)C(=O)NC2CC2)s1 812224403 MIHMUQSHCSHUSZ-UHFFFAOYSA-N 268.298 -0.120 50 20 CBGD O=C(NN=C1COC1)c1ccc(-n2cnnn2)cc1 814756739 WXQILGJEEIQSRL-UHFFFAOYSA-N 258.241 -0.222 50 20 CBGD CCn1ncc(C)c1NC(=O)NNC(=O)CN(C)C 825156187 QRBPHBWXNZPJJT-UHFFFAOYSA-N 268.321 -0.074 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)N(C)C 826923491 QOSOINMVYXNVLA-AEJSXWLSSA-N 272.349 -0.308 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)c2cccs2)CC(=O)N1 831762166 ATRYQALHVZOPTM-MRVPVSSYSA-N 296.352 -0.671 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)N(C)CC1CC1 842592693 NWULISPROUVOJI-SCZZXKLOSA-N 291.373 -0.381 50 20 CBGD COc1c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(C)nn1C 843654087 PQIZAMZMMWEUHG-RKDXNWHRSA-N 296.327 -0.077 50 20 CBGD CC(C)(C)C(=O)NNC(=O)[C@@H]1CCCS1(=O)=O 847345952 ORSAVMVTNIYGAJ-ZETCQYMHSA-N 262.331 -0.243 50 20 CBGD Cc1nn(CC(=O)NNc2cccc(F)n2)c(=O)n1C 848069749 ZSSHYRAHAKQQIV-UHFFFAOYSA-N 280.263 -0.432 50 20 CBGD CC(C)N(C)S(=O)(=O)NNC(=O)c1cc[nH]n1 849310583 FZXMDYNJJILFIS-UHFFFAOYSA-N 261.307 -0.771 50 20 CBGD O=C(CN1CC[C@@H](N2CCOC2=O)C1)NNC(=O)C1CC1 852437194 VGIHXOFHIQXWFZ-SNVBAGLBSA-N 296.327 -0.930 50 20 CBGD C#C[C@@H](CC)NC(=O)NNC(=O)[C@@H](C)OCCOC 854073610 YLDBNSNFGWWEGU-ZJUUUORDSA-N 271.317 -0.220 50 20 CBGD Cc1ccnn1CC(=O)NNC(=O)c1cccn1C 858165786 NBTDHCWTOIZNPO-UHFFFAOYSA-N 261.285 -0.009 50 20 CBGD CO[C@H](C)[C@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858380613 FTCJPTUFMDCYRA-RNJXMRFFSA-N 272.305 -0.981 50 20 CBGD CC[C@](C)(CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)OC 858514297 PONLZCNIUJEDOC-PRHODGIISA-N 286.332 -0.590 50 20 CBGD C/C(=C\C(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CC1 862451399 BVKFYNOPPVGTSB-XCODYQFDSA-N 251.286 -0.231 50 20 CBGD N#C/C(=C\c1ccc(O)cc1)C(=O)N1C[C@H](O)[C@@H](O)C1 862582301 PTAUPUVHBRXADQ-ILUUWHSRSA-N 274.276 -0.137 50 20 CBGD CC[C@@]1(C(=O)NNC(=O)[C@H]2CCCCO2)CCNC1=O 868619033 FWYIHJOOJJMZLL-NOZJJQNGSA-N 283.328 -0.381 50 20 CBGD C#CCSCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 887762140 OGTHTSHJJBQSEG-JTQLQIEISA-N 290.410 -0.155 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)CN1CCOCC1=O 899995704 AZVXMWCEBNQENV-UHFFFAOYSA-N 288.373 -0.861 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCCN1c1ncccn1 910139144 PMKCBQRUKGYSAD-MNOVXSKESA-N 279.344 -0.211 50 20 CBGD NNC(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 914466172 ISIPEGHEGRQUNW-UHFFFAOYSA-N 273.289 -0.130 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1c(F)ccnc1F 1118374380 YWOLJERBCXYFOR-UHFFFAOYSA-N 286.238 -0.355 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)o1 1118885401 ZUAQHFRBFPTNTL-LURJTMIESA-N 295.251 -0.894 50 20 CBGD O=C(NC[C@@H]1COCO1)NNC(=O)C1CCOCC1 1119684286 SAGDKGGLGIEKFF-SECBINFHSA-N 273.289 -0.884 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1C=C[C@H](CO)C1 1261452423 CIPVBVRCYPWLCC-LMLFDSFASA-N 283.328 -0.321 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cnns2)cn1 1318613107 QCYBDLYOPJWEJN-UHFFFAOYSA-N 252.259 -0.654 50 20 CBGD CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccon1 1320180936 HCNCHZKPIZXDIR-UHFFFAOYSA-N 254.246 -0.193 50 20 CBGD Cn1cc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)cn1 1320238912 BKKVCRUAXHGSTK-UHFFFAOYSA-N 281.316 -0.058 50 20 CBGD Cn1ccc(NNC(=O)CN2CSCC2=O)n1 1321389323 UPFKOGAVXZXKGA-UHFFFAOYSA-N 255.303 -0.604 50 20 CBGD C#Cc1cncc(C(=O)NNc2nccn(C)c2=O)c1 1326784759 AYMSSVUAGXSGJU-UHFFFAOYSA-N 269.264 -0.087 50 20 CBGD O=C(CO[C@H]1CCOC1)NNC(=O)C1CCOCC1 1333149427 PDXSUPVBEVSZKS-JTQLQIEISA-N 272.301 -0.634 50 20 CBGD CCn1cc(C=NNC(=O)CS(C)(=O)=O)cn1 1335346715 CAIDCBYWAKEFMS-UHFFFAOYSA-N 258.303 -0.602 50 20 CBGD Cc1c(C(=O)NNC(=O)c2cnn(C)c2)cnn1C 1339204827 LYAYCUWKSZLGEU-UHFFFAOYSA-N 262.273 -0.463 50 20 CBGD COCCn1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)cn1 1348412167 SWNJPLJEHCBWMF-JTQLQIEISA-N 279.300 -0.742 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCC[C@@H](F)C1 1349081883 LUNAJAZQMIOARU-RQJHMYQMSA-N 261.253 -0.230 50 20 CBGD CNC(=O)CCCN(C)C(=O)NNC(=O)c1cn[nH]c1 1351352764 MGXXINBNBKPEKT-UHFFFAOYSA-N 282.304 -0.778 50 20 CBGD CN1CCCC[C@H](C(=O)NNC(=O)[C@H]2CCCNC2)C1=O 1578528042 BMTTZEOHUNJHBR-WDEREUQCSA-N 296.371 -0.608 50 20 CBGD N[C@@H](CC(=O)NNC(=O)c1ncon1)Cc1ccccc1 1580364951 FSNFNQMSFGUXJZ-SNVBAGLBSA-N 289.295 -0.209 50 20 CBGD COc1ccc(NNC(=O)[C@@H]2CC(C(=O)O)=NO2)nc1 1594106519 XHFGHARBNJGUMS-QMMMGPOBSA-N 280.240 -0.237 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cc(C(=O)O)nn1C 1594442504 ZDZRQFXDRIBPGI-UHFFFAOYSA-N 292.255 -0.775 50 20 CBGD CC(=O)NNS(=O)(=O)c1cc(C(=O)O)c(C)o1 1603052427 LAGCZUHCMMOLRE-UHFFFAOYSA-N 262.243 -0.384 50 20 CBGD O=C(O)CSCCC(=O)NNC(=O)c1ncccn1 1608766919 RKMHLFNTIPSQGR-UHFFFAOYSA-N 284.297 -0.555 50 20 CBGD COc1ccc(CC(=O)NNC(=O)C(=O)NC(C)C)cc1 8390009 OODCALFUHUCONX-UHFFFAOYSA-N 293.323 -0.090 50 20 CBGD CCO[C@H](CC)C(=O)NNC(=O)c1cnn(C)c1 117682392 RDJWUDOZCHLOOX-SECBINFHSA-N 254.290 -0.004 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCCn2ccnc2)cn1 142842046 UIHHBRLPJOPKGO-UHFFFAOYSA-N 291.315 -0.349 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CCC[C@@H](C(=O)OC)C1 266887827 VIZXMGCDOOQJOE-HTQZYQBOSA-N 257.290 -0.074 50 20 CBGD CCSCCCNC(=O)NNC(=O)C(=O)NC1CC1 282133725 FOSLZFBDEPWXCM-UHFFFAOYSA-N 288.373 -0.261 50 20 CBGD C[C@H]1CO[C@H](C)CN1C(=O)c1cc(B(O)O)ccc1F 584927369 GQFQRAKQZOKJRY-DTWKUNHWSA-N 281.092 -0.245 50 20 CBGD COC[C@H](C)N(C)C(=O)c1ccc(B(O)O)cc1 584931688 DYSAEFSHTFNURB-VIFPVBQESA-N 251.091 -0.527 50 20 CBGD O=C(N[C@H]1CCn2ccnc2C1)c1cccc(B(O)O)c1 584973785 JTMUKBBQTPGSHK-LBPRGKRZSA-N 285.112 -0.692 50 20 CBGD O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc(B(O)O)cc1 584978573 AEUUCYVOMMKDGI-YNEHKIRRSA-N 275.113 -0.336 50 20 CBGD CO[C@H](C)[C@H](C)NC(=O)c1cc(B(O)O)ccc1F 584979569 XZILZGPSPUGEJP-JGVFFNPUSA-N 269.081 -0.341 50 20 CBGD C[C@H]1CSC[C@H]1NC(=O)c1cc(B(O)O)ccc1F 584988879 UHKGDBXLPJHDLY-WRWORJQWSA-N 283.133 -0.013 50 20 CBGD CCN1CCC[C@H]1CNCc1cccc(B(O)O)c1 585016242 KHRQNSSIIVUOBJ-AWEZNQCLSA-N 262.162 -0.060 50 20 CBGD CN(C)[C@]1(CNCc2cccc(B(O)O)c2)CCSC1 585025908 GMDDSIRFVOKEDC-AWEZNQCLSA-N 294.229 -0.107 50 20 CBGD C[C@H](CC[S@](C)=O)NCc1cccc(B(O)O)c1 585031153 SHTBLTGPVKBRIK-MGNBDDOMSA-N 269.175 -0.387 50 20 CBGD CCCN1C[C@@H](CNCc2cccc(B(O)O)c2)CC1=O 585047496 DMYIETLEGZRCAS-CYBMUJFWSA-N 290.172 -0.286 50 20 CBGD COc1ccc2c(c1)OC[C@@H](C(=O)NCB(O)O)C2 585062144 QNMZUXXUQLFFFC-VIFPVBQESA-N 265.074 -0.626 50 20 CBGD O=C(O)[C@]1(C(=O)N2CC[C@H](B(O)O)C2)C[C@H]2CC[C@H]1C2 585063874 JIUQCCZBCYJUGR-AVWBDOJWSA-N 281.117 -0.047 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)N2CCOCC2)nc1 730774014 NZMNPFKBRVJHPQ-UHFFFAOYSA-N 275.268 -0.360 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H]2CNC[C@@H]2C1 732198417 PZGLHEKMJDOPBX-QJPTWQEYSA-N 282.388 -0.280 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)c1cnn(C)c1 735473512 ZJNWVSFIECEOSB-ZETCQYMHSA-N 267.289 -0.904 50 20 CBGD CS(=O)(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 737169452 YIMIAZNOJIPFQF-UHFFFAOYSA-N 282.285 -0.939 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NCCS(C)(=O)=O 746516686 VQNOMYMHSCWWQP-UHFFFAOYSA-N 265.335 -0.593 50 20 CBGD CC(C[C@H]1CCOC1)=NNC(=O)[C@@H](C)NS(C)(=O)=O 751530151 YZCNMRFYIQMXQQ-NXEZZACHSA-N 291.373 -0.157 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CC12CCC2 759693128 FVIYQBVQTGAGIK-MRVPVSSYSA-N 253.302 -0.151 50 20 CBGD C[C@@H](C(=O)NNc1ncc(F)cn1)N1C(=O)CCC1=O 762099090 LJCZSEAAAYXDDC-LURJTMIESA-N 281.247 -0.404 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cc(C)cnc1OC 764299823 JTTPUCUQWRUMCX-UHFFFAOYSA-N 296.283 -0.869 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H](C)NC(C)=O 769770710 YIHMFIGWTNVDJS-ZCFIWIBFSA-N 278.403 -0.631 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@@H](CO)C1CC1 771817664 HYOYMHUKTOJPQB-KOLCDFICSA-N 271.361 -0.071 50 20 CBGD C[C@@H](C(=O)NNC(=O)CO)n1nnc(-c2ccccc2)n1 777782189 WHTQZTVUAHYFEM-QMMMGPOBSA-N 290.283 -0.959 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 780850204 XGQSRIAVEWKBAV-UHFFFAOYSA-N 294.267 -0.118 50 20 CBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H](C)O 786705672 SUQWQULLSSRGMA-QMMMGPOBSA-N 262.269 -0.215 50 20 CBGD CS(=O)(=O)NCCC(=O)NNc1nc2ccccn2n1 791254330 YPRJXTAXSSWOQS-UHFFFAOYSA-N 298.328 -0.888 50 20 CBGD O=C(CO)NNC(=O)c1ccnn1-c1ccccc1 792659148 XYHYOQPDRZROPJ-UHFFFAOYSA-N 260.253 -0.374 50 20 CBGD CCCN(C)CC(=O)NNC(=O)N1CCN(C)CC1 807380773 PMHZAMUZUOXVFJ-UHFFFAOYSA-N 271.365 -0.684 50 20 CBGD COCC1(C(=O)NNC(=O)NC2CC2)CCOCC1 813423603 IGJSQNVQDCJKHD-UHFFFAOYSA-N 271.317 -0.078 50 20 CBGD CNC(=O)NCCC(=O)NNC(=O)c1cccc(C#N)c1 815399165 LLFCWQNXPVJOMH-UHFFFAOYSA-N 289.295 -0.362 50 20 CBGD C=CCCn1cc(C(=O)NNC(=O)Cc2cc[nH]n2)nn1 819254548 WZMDPWOVYNRYDZ-UHFFFAOYSA-N 289.299 -0.419 50 20 CBGD CCOC(=O)N1CSC[C@H]1C(=O)NN(C)[C@@H](C)CO 823384500 MQMNRJGEHCLSQH-IUCAKERBSA-N 291.373 -0.138 50 20 CBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)N1CCOCC1 827303261 CKDQIAZVYTZSGG-ZETCQYMHSA-N 259.262 -0.830 50 20 CBGD CCCN1C[C@@H](C(=O)NNC(=O)N2CCOCC2)CC1=O 840298193 IGEXWEDCYQURHI-JTQLQIEISA-N 298.343 -0.682 50 20 CBGD CCO[C@@H]1CC(=NNC(=O)C(=O)N2CCCC2)[C@H]1OC 841622326 QQIJHZOKQKSOHL-GHMZBOCLSA-N 283.328 -0.095 50 20 CBGD CCOC(=O)/C(C#N)=C\N[C@@H]1CCN(S(C)(=O)=O)C1 844269505 WNZAKTZXJRZXQB-UJICNMFASA-N 287.341 -0.420 50 20 CBGD CN(C)C1(C(=O)NNC(=O)[C@H]2CCCCO2)CC1 854683987 XWKIJZPHKXANIG-SECBINFHSA-N 255.318 -0.203 50 20 CBGD COC(=O)NC(C)(C)C(=O)NNC(=O)c1cn[nH]c1 862471464 FUONCVYDXHPUOJ-UHFFFAOYSA-N 269.261 -0.695 50 20 CBGD CC(=O)NNC(=O)[C@H]1COc2ccc(O)cc2O1 864427848 YKXFBBNLOUSOCK-SNVBAGLBSA-N 252.226 -0.301 50 20 CBGD O=C(/C=C\CN1CCOCC1)NNC(=O)C1CC1 864444047 RWAXWHHKEUFSKV-UPHRSURJSA-N 253.302 -0.568 50 20 CBGD COCCN(C)NC(=O)c1cnn(CCOC)c1 868242565 RIHKGYXBJIUBFQ-UHFFFAOYSA-N 256.306 -0.248 50 20 CBGD CCCNC(=O)NNC(=O)/C=C1\SCC(=O)N1C 874213711 BNHHGAUEYBVVKN-UITAMQMPSA-N 272.330 -0.227 50 20 CBGD Cc1n[nH]cc1CN(C)CC(=O)NNC(=O)C(C)C 879188426 KXGJSSQYYUJBIP-UHFFFAOYSA-N 267.333 -0.047 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cccc2c1OCC2 894135714 ZTBYDPPYMMXMQX-UHFFFAOYSA-N 263.297 -0.056 50 20 CBGD CC(=O)NNC(=O)CCCN1CCN(C(C)C)CC1 899927264 NWRYTNYTWPBWNF-UHFFFAOYSA-N 270.377 -0.040 50 20 CBGD CC(C)CC(=O)NNC(=O)CNC(=O)N1CCCC1 900096138 SZIFEWUHLOEUQN-UHFFFAOYSA-N 270.333 -0.015 50 20 CBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)Cc1ccncc1 934042888 CCUFIBIPMBKVNQ-GHMZBOCLSA-N 291.307 -0.029 50 20 CBGD O=C(O)c1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cn1 1118914567 BJTDNRRPLDDVHJ-MRVPVSSYSA-N 264.046 -0.531 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCCC[C@H]1CO 1118917739 NXUSKGRBLWWQMN-LBPRGKRZSA-N 263.102 -0.647 50 20 CBGD CCn1cc(-c2n[nH]cc2C(=O)NNC(=O)NC)cn1 1321491244 IQJJIERYMXVRIG-UHFFFAOYSA-N 277.288 -0.133 50 20 CBGD CN(C)c1nccc(NNC(=O)c2cc[n+]([O-])cc2)n1 1322012957 PTROJDYRXDYACI-UHFFFAOYSA-N 274.284 -0.067 50 20 CBGD Cc1nnc(NNC(=O)C[C@@H]2CCCC(=O)N2)nc1O 1325607742 SHHFFJHSMYGIQP-ZETCQYMHSA-N 280.288 -0.612 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCc1ccn(C)n1 1325974563 CRGJFNIRVBCZNN-GXSJLCMTSA-N 295.343 -0.282 50 20 CBGD Cc1cc(C)nc(NNC(=O)c2cn(CCCN)nn2)n1 1326013300 NKKWXSCGVGAFOV-UHFFFAOYSA-N 290.331 -0.209 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC/C=C/C2CC2)N1 1331314761 JTTAYMQTKXUWIN-GPYPMJJRSA-N 266.301 -0.438 50 20 CBGD Cn1cc(CCNC(=O)NNC(=O)c2cn[nH]c2)cn1 1331505291 RPBHVEVMDNEZEM-UHFFFAOYSA-N 277.288 -0.670 50 20 CBGD O=C(CC1CCOCC1)NNC(=O)[C@@H]1CCC(=O)N1 1331614962 JYNWHGWFKDPJPJ-VIFPVBQESA-N 269.301 -0.771 50 20 CBGD C[C@@H](O)CN(C)NC(=O)C1CCN(S(C)(=O)=O)CC1 1332174795 HSDHJIDHRIGIFU-SECBINFHSA-N 293.389 -0.998 50 20 CBGD O=C(CCO)NNC(=O)Nc1ccnn1C[C@@H]1CCOC1 1342970078 GZWGBGRWPAXHBQ-VIFPVBQESA-N 297.315 -0.545 50 20 CBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNc1ccc(C#N)cn1 1347765461 SXFBYEYXODJUAY-CMPLNLGQSA-N 286.339 -0.215 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCc2ccccn2)N1 1352305229 OJDSNQWPJAZZRC-JTQLQIEISA-N 291.311 -0.767 50 20 CBGD N[C@@H](Cc1ccncc1)C(=O)NNC(=O)C1CCOCC1 1580368676 CWXPBOOTUTYZJK-LBPRGKRZSA-N 292.339 -0.475 50 20 CBGD O=C(NNC(=O)[C@@H]1NCC[C@H]2CCCC[C@H]21)c1cnn[nH]1 1580736531 WHMZXTGQNYGDMA-FXPVBKGRSA-N 292.343 -0.266 50 20 CBGD CC(C)(CNC(=O)NNC(=O)[C@H]1CCCO1)CC(=O)O 1590726238 BUCJQZPNDNEBHO-MRVPVSSYSA-N 287.316 -0.003 50 20 CBGD C[C@H](CC=NNC(=O)Cc1cc(O)nc(O)n1)C(=O)O 1592464315 OHGRQPUMFSPUPL-ZCFIWIBFSA-N 282.256 -0.357 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1cccnc1C(=O)O 1593692019 MBQSWDAILQPURC-UHFFFAOYSA-N 281.272 -0.506 50 20 CBGD C[C@H]1CCCCN1[C@@H](C)CNC(=O)NNC(=O)C(=O)O 1594374147 HYEZOGPWBKNFPR-IUCAKERBSA-N 286.332 -0.336 50 20 CBGD O=C(O)[C@]1(C(=O)NNc2ncc(F)cn2)CCCO1 1594867890 VEFMQOXDTRYIEV-SNVBAGLBSA-N 270.220 -0.307 50 20 CBGD CO[C@@H](CNC(=O)NNC(=O)C(=O)O)c1ccc(F)cc1 1599051543 YQENWXMERDPKBN-VIFPVBQESA-N 299.258 -0.072 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCOCC12CCCC2 1601553158 VSSINCWOOBQHMD-QMMMGPOBSA-N 285.300 -0.249 50 20 CBGD C[C@@](O)(CNS(=O)(=O)CBr)C(=O)O 1603263082 HEDSKXSCZHDVEJ-RXMQYKEDSA-N 276.108 -0.906 50 20 CBGD C[C@H](CC(=O)O)C(=O)NNC(=O)c1cnsn1 1604094574 APLUEXMMJJLLTD-SCSAIBSYSA-N 258.259 -0.590 50 20 CBGD CCCNC(=O)NNC(=O)CN1CCSC1=O 49279591 AEXXCSGMPHQALV-UHFFFAOYSA-N 260.319 -0.104 50 20 CBGD O=C(CN1CC[C@H](O)C1)NNC(=O)c1cccs1 61708374 GXUZQVOYCJMRPC-QMMMGPOBSA-N 269.326 -0.424 50 20 CBGD O=S1(=O)C[C@H](O)[C@@H](I)C1 82879971 LQNJBIPXTGBGQQ-IMJSIDKUSA-N 262.068 -0.421 50 20 CBGD CNC(=O)NNC(=O)CN1C(=O)CCc2ccccc21 110660688 SYANVUHLCBNQJI-UHFFFAOYSA-N 276.296 -0.074 50 20 CBGD C=CCNC(=O)CNC(=O)NNC(=O)C(C)(C)C 180635855 YWDHAGHDCDLDRA-UHFFFAOYSA-N 256.306 -0.335 50 20 CBGD CN1C[C@H](NC(=O)NNc2ncccn2)CC1=O 267504423 NURPQIVJPLFPRQ-SSDOTTSWSA-N 250.262 -0.667 50 20 CBGD C[C@H](O)C(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C 273315989 WILWJIZBJKADHG-RQJHMYQMSA-N 275.305 -0.572 50 20 CBGD C[C@@H](Oc1cccnc1)C(=O)NNC(=O)C(C)(C)O 276241375 KXWGNIZOAWLSOP-MRVPVSSYSA-N 267.285 -0.233 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@@H]2CN3CCCN2CC3)n1 362401833 MUUQKQXPFQSJRN-LBPRGKRZSA-N 290.371 -0.074 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1COCCN1CC 368530257 KBGKIEUCRBTFOC-VIFPVBQESA-N 272.374 -0.612 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@H]1NC(=O)O[C@H]1C 496992993 ADLKXRZJSWFBOU-XVKPBYJWSA-N 293.279 -0.047 50 20 CBGD C[C@H]1OCC[C@@]1(C)NC(=O)c1cccc(B(O)O)c1 584972563 AGOGNTKUFMVVMK-NOZJJQNGSA-N 263.102 -0.336 50 20 CBGD C[C@H]1[C@@H](NC(=O)c2ccc(B(O)O)cc2)CCCN1C 584972737 GBUBYWURLHSJCS-GWCFXTLKSA-N 276.145 -0.421 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)CC[C@H]1O 584972973 AQZKWZISXAWRPC-QPUJVOFHSA-N 281.092 -0.652 50 20 CBGD C[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(B(O)O)c(F)c1 584980258 UZIUEWOMBPATGO-VXNVDRBHSA-N 267.065 -0.899 50 20 CBGD C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)CC[S@](=O)C1 584983233 PQZBRFGYWXDMCF-FVINQWEUSA-N 295.169 -0.793 50 20 CBGD O=C(NCCC1(O)CCC1)c1cc(B(O)O)ccc1F 584994376 NXMFQHXJVFSEJR-UHFFFAOYSA-N 281.092 -0.460 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@H](CCO)CC1 584999425 BMULRCAULFDABY-LBPRGKRZSA-N 291.156 -0.009 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@@H]2COC[C@H]2C1 585005239 BVNLYHNNIDYRTG-GHMZBOCLSA-N 293.103 -0.386 50 20 CBGD CC(C)(CNCc1ccc(B(O)O)o1)C(=O)N1CCCC1 585048596 BEHADEWGNWFRRY-UHFFFAOYSA-N 294.160 -0.302 50 20 CBGD O=C(NCB(O)O)[C@H]1CCCN1C(=O)c1ccccc1 585056434 VUTKVYGVOXBDCH-LLVKDONJSA-N 276.101 -0.581 50 20 CBGD Cc1c(C(=O)NCB(O)O)c(O)nc2ccccc12 585059625 VBOQPXJLKWUZNY-UHFFFAOYSA-N 260.058 -0.009 50 20 CBGD O=C(NCB(O)O)C(=O)c1ccc(Br)cc1 585059967 HUXGAWVSUDTHPK-UHFFFAOYSA-N 285.890 -0.240 50 20 CBGD O=C(NCB(O)O)[C@H]1CCCN(C(=O)c2ccccc2)C1 585062141 QLHVZYOQSCOSIP-LBPRGKRZSA-N 290.128 -0.333 50 20 CBGD CCOCC(=O)NNC(=O)NCCn1ccnc1C 731281982 DFNCPZCJUWXGHZ-UHFFFAOYSA-N 269.305 -0.442 50 20 CBGD Cn1cc(C(=O)NNc2ccccc2)c(=O)n(C)c1=O 735114629 LDHWHEJPTMPHTO-UHFFFAOYSA-N 274.280 -0.159 50 20 CBGD CCc1[nH]c(C(=O)NNC(=O)CN(C)C)c(C)c1C(=O)O 737244432 OIWFGKIWJNNNQZ-UHFFFAOYSA-N 296.327 -0.094 50 20 CBGD Cc1cnn(CC(=O)NNC(=O)N2CCOCC2)c1 745995799 BRBKOBHWLDGLGW-UHFFFAOYSA-N 267.289 -0.735 50 20 CBGD Cn1cc(C(=O)NN=C2CCN(S(C)(=O)=O)CC2)cn1 747633278 UZYXPXZDNZJSAF-UHFFFAOYSA-N 299.356 -0.439 50 20 CBGD CCn1cc(C(=O)NNC(=O)Cc2cc[nH]n2)cn1 755268298 HFTZOPPFDYHTTP-UHFFFAOYSA-N 262.273 -0.370 50 20 CBGD O=C(CN1CCCC1=O)NN=Cc1cnc2ncccn12 755587482 OZPZKCLRQQMFHW-UHFFFAOYSA-N 286.295 -0.198 50 20 CBGD CC(=O)NNC(=O)c1coc(S(=O)(=O)N(C)C)c1 756126267 GTSXTLGZYZBULZ-UHFFFAOYSA-N 275.286 -0.689 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 756682944 QSWBXZGURPRGIU-LLVKDONJSA-N 295.295 -0.001 50 20 CBGD CS[C@H](C)C(=O)NNc1ccc(C(N)=O)nn1 757391890 HTKUFHFWSUMFFV-RXMQYKEDSA-N 255.303 -0.230 50 20 CBGD CC(=O)N1CCc2c(NC(=O)NNC(=O)CO)cccc21 769249128 CKPWRLQTMNLTNN-UHFFFAOYSA-N 292.295 -0.259 50 20 CBGD Cc1ccn(CC(=O)NNC(=O)C(C)C)c(=O)c1 770813309 IRMVPGALKDWZBA-UHFFFAOYSA-N 251.286 -0.040 50 20 CBGD COC[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@H](C)O1 784374088 WMFLZYTXXNZLDL-ONGXEEELSA-N 285.344 -0.721 50 20 CBGD CN1C[C@@H](NC(=O)NNc2nc3ccccn3n2)CC1=O 790419958 ANSAKKGEJRISJR-QMMMGPOBSA-N 289.299 -0.414 50 20 CBGD CCNC(=O)NNC(=O)CCc1cc(OC)no1 823799451 QUNDQSRMVUVSSU-UHFFFAOYSA-N 256.262 -0.034 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1COc2ccc(O)cc2O1 823913224 QFTRSMVUMHDFOV-QPUJVOFHSA-N 282.296 -0.124 50 20 CBGD COC(=O)c1cccc(C(=O)NN(C)[C@@H](C)CO)n1 823970036 BLTXNSJUXGLOPI-QMMMGPOBSA-N 267.285 -0.174 50 20 CBGD C[C@@H](NC(=S)NNC(=O)C[C@H]1CC(=O)NC1=O)C1CC1 824446174 HWUKEEFNZAYOKF-HTRCEHHLSA-N 298.368 -0.667 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](CCN)C1 843378286 NKSRDOZYBISQLP-GHMZBOCLSA-N 270.377 -0.007 50 20 CBGD COC(=O)Cc1ccc(NNC(=O)[C@]2(O)CCOC2)cc1 846376543 AJDDHBQGUAFZEM-AWEZNQCLSA-N 294.307 -0.003 50 20 CBGD O=C(CN[C@@H](CCO)C(F)(F)F)NNC(=O)C1CC1 852080068 KFFKWZYJDSAQML-ZETCQYMHSA-N 283.250 -0.553 50 20 CBGD CO[C@H](C(=O)NNC(=O)c1cc[nH]n1)c1cnn(C)c1 855356463 RQHWYTRLCCOABB-VIFPVBQESA-N 278.272 -0.708 50 20 CBGD CCNC(=O)CCCC(=O)NNC(=O)c1cc[nH]n1 855358530 MYNHHVOMLMQEJR-UHFFFAOYSA-N 267.289 -0.523 50 20 CBGD CC1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCCC1 862451768 ALFVRAJDNHBMJI-QMMMGPOBSA-N 253.302 -0.007 50 20 CBGD CCc1nnc(C)cc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862461459 PIIJWBLMOVAKLJ-JTQLQIEISA-N 291.311 -0.613 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@H](C)C(=O)N(C)OC 863705661 BWVFHUUHXCAHBK-KGOFQHAKSA-N 255.274 -0.045 50 20 CBGD COC(=O)N[C@@H](C)c1nc(-c2cccc(B(O)O)c2)no1 863892729 HJYBDGQGNLWYJC-ZETCQYMHSA-N 291.072 -0.167 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)n1cc(CN2CCCC2)nn1 881293362 OEQONIDIHDUERP-SNVBAGLBSA-N 294.359 -0.008 50 20 CBGD CC(C)C[C@H](NCc1ccc(B(O)O)cc1)C(=O)O 901639951 MTTAQRHNOTZSKD-LBPRGKRZSA-N 265.118 -0.045 50 20 CBGD C[C@]1(C(=O)NOCC(N)=O)C[C@@H]1Br 907213613 GVBRBDXBLWFSAI-FFWSUHOLSA-N 251.080 -0.307 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CSC(C)C 914465335 SAPQONYWDJQMIA-UHFFFAOYSA-N 261.347 -0.200 50 20 CBGD NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 914751362 FGHRCOLOLCKBBE-UHFFFAOYSA-N 259.287 -0.332 50 20 CBGD COCC(=O)NNC(=O)N[C@](C)(COC)C(F)(F)F 932330064 HWBVSQWAVGMANT-MRVPVSSYSA-N 287.238 -0.069 50 20 CBGD O=C(CCO)NNC(=O)Nc1ccc(-n2ccnn2)cc1 1116596613 WPPGUJYBUDGSNB-UHFFFAOYSA-N 290.283 -0.198 50 20 CBGD O=C(NNC(=O)C1CCOCC1)c1cnn2cccnc12 1119289804 SNUNWSRVUBIIDY-UHFFFAOYSA-N 289.295 -0.083 50 20 CBGD Cc1sc(=O)n(CC(=O)NNC(=O)N(C)C)c1C 1318037528 QRJZTOIEWCRGEX-UHFFFAOYSA-N 272.330 -0.171 50 20 CBGD NC(=O)c1c[nH]c(C(=O)NNC(=O)Cc2cccnc2)c1 1319006253 UHPXCAVRRNHTSU-UHFFFAOYSA-N 287.279 -0.488 50 20 CBGD CNC(=O)c1cccc(C(=O)NNC(=O)NCC2CC2)n1 1319239448 MJXVHZRTTJLZOT-UHFFFAOYSA-N 291.311 -0.205 50 20 CBGD CC(C)[C@@H](NCC(=O)NNC(=O)C1CC1)c1nncn1C 1322061377 QEYVNIFZQMSRSZ-LLVKDONJSA-N 294.359 -0.341 50 20 CBGD Cn1nncc1NNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 1324336112 WGVVWKQUUUFGAW-SNVBAGLBSA-N 292.343 -0.093 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ccncn1 1326647995 MVNUEJAFZXCJJN-ONGXEEELSA-N 278.312 -0.018 50 20 CBGD COCCCNC(=O)NNC(=O)c1cc(O)n(C)n1 1327862068 GYXUNMCFDKLIPM-UHFFFAOYSA-N 271.277 -0.894 50 20 CBGD Cc1cccc(NNC(=O)CC[C@H]2NC(=O)NC2=O)n1 1329173025 RVTAAQSRLRVSMI-MRVPVSSYSA-N 277.284 -0.179 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C2CC2)n1 1331617182 YINPKPXMQRKEEU-VIFPVBQESA-N 291.311 -0.663 50 20 CBGD O=C(/C=C\[C@@H]1CCOC1)NNC(=O)CN1CCCC1=O 1332229117 QXHKJHYEJSLYIF-UMBAGQNISA-N 281.312 -0.651 50 20 CBGD CN(C)C(=O)NNC(=O)CS[C@@H]1CCS(=O)(=O)C1 1337966035 DREHJZOAZJTQOI-SSDOTTSWSA-N 295.386 -0.791 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](C)c1ccccn1 1339816893 DFYZVLOKAYEPKQ-SSDOTTSWSA-N 266.257 -0.354 50 20 CBGD C#CCCCC(=O)NNC(=O)CCc1c(N)cnn1C 1574545524 QSRXDTVEOBEMAQ-UHFFFAOYSA-N 277.328 -0.114 50 20 CBGD N[C@@H](CC(=O)NNC(=O)c1ncccn1)C(F)F 1580121413 VNBGZGLIFGIZSE-YFKPBYRVSA-N 259.216 -0.780 50 20 CBGD O=C(Cc1n[nH]c2ccccc12)NNC(=O)[C@@H]1CCN1 1580577609 FYQQCQRLLWTGQG-JTQLQIEISA-N 273.296 -0.385 50 20 CBGD Cc1cccc(C(=O)NNC(=O)c2cc(C(=O)O)n[nH]2)n1 1594388254 TUUMTBONTWBTAV-UHFFFAOYSA-N 289.251 -0.114 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C12CC(C(=O)O)(C1)C2 1594643869 YYQLWLPIXKNOIN-WBIOTGRQSA-N 282.296 -0.186 50 20 CBGD COC(=O)N(C)NS(=O)(=O)c1n[nH]c(C)c1C(=O)O 1598876490 XGZINWPZMBXXBB-UHFFFAOYSA-N 292.273 -0.692 50 20 CBGD O=C(O)CCCONC(=O)c1cc(B(O)O)ccc1F 1601994334 CWBQWJWUFZXAIJ-UHFFFAOYSA-N 285.036 -0.968 50 20 CBGD CC(C)[C@H](C(=O)O)C(=O)NNC(=O)N1CCOCC1 1602970053 JHROOIBOGLQZLJ-QMMMGPOBSA-N 273.289 -0.584 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)c1ccc(C#N)cc1 1604434330 JZGFCNYKWYXJRZ-SECBINFHSA-N 277.236 -0.581 50 20 CBGD O=C(NCC[C@H]1C[C@H]2CC[C@H]1O2)NNC(=O)C(=O)O 1608440911 PEVPGDACOARSQB-XLPZGREQSA-N 271.273 -0.641 50 20 CBGD O=C(O)COCCNC(=O)NNc1ncccn1 1608757728 XXWNVXABRIKDIU-UHFFFAOYSA-N 255.234 -0.796 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(N2CCCC2)nn1 113424753 YNHMOMJKYLYIGX-UHFFFAOYSA-N 292.343 -0.601 50 20 CBGD Cc1nc(-c2cnn(C)c2)sc1C(=O)NNC(=O)CO 182751812 UPYPLNSQDLLWKA-UHFFFAOYSA-N 295.324 -0.395 50 20 CBGD O=C(CO)NNC(=O)c1c[nH]nc1-c1ccccc1F 182758587 ZNEMVCVMIXDGKB-UHFFFAOYSA-N 278.243 -0.031 50 20 CBGD CCCC(=O)N1CSC[C@@H]1C(=O)NNC(C)=O 263872114 MUSWJZBWKDBUSW-MRVPVSSYSA-N 259.331 -0.145 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)[C@@H](C)O 292691247 NEEOLECOBGWWGQ-MRVPVSSYSA-N 252.270 -0.234 50 20 CBGD CCOC(=O)NCCCC(=O)NNc1nccn(C)c1=O 493831603 IHELSFIJQIRCBI-UHFFFAOYSA-N 297.315 -0.250 50 20 CBGD CC(=O)N[C@@H](CC(C)C)C(=O)Nc1cccc(B(O)O)c1 584913748 JCRSRVHZJZNMTL-ZDUSSCGKSA-N 292.144 -0.144 50 20 CBGD CC[C@@H](C)[C@@H](CO)NC(=O)c1cccc(B(O)O)c1 584970161 VMCWPQFZZRFAAX-BXKDBHETSA-N 265.118 -0.497 50 20 CBGD CC(C)(C)[C@H](CO)NC(=O)c1ccc(B(O)O)c(F)c1 584981108 CBXYPTVKAKBKIF-NSHDSACASA-N 283.108 -0.358 50 20 CBGD OB(O)c1ccc(CNCC2(O)CCCC2)c(F)c1 585022836 AXDBZFWSDIDGOO-UHFFFAOYSA-N 267.109 -0.100 50 20 CBGD CC(C)[C@H](CCO)NCc1ccccc1B(O)O 585024798 DBBRRSZTNOZPKQ-ZDUSSCGKSA-N 251.135 -0.137 50 20 CBGD C[C@@H](NCc1cccc(B(O)O)c1)c1cnn(C)c1 585025151 MUCKSNHPQLJBBQ-SNVBAGLBSA-N 259.118 -0.049 50 20 CBGD CNC(=O)[C@H]1CCC[C@H]1NCc1ccc(B(O)O)cc1F 585032477 VLLHJRGODYDHOM-WCQYABFASA-N 294.135 -0.490 50 20 CBGD OB(O)c1ccc(CN[C@@H]2COc3ccccc3[C@@H]2O)cc1 585041917 XHRBJSKKEXUIBC-ZBFHGGJFSA-N 299.135 -0.049 50 20 CBGD C[C@H](NC(=O)C1CCCCC1)C(=O)NCB(O)O 585062554 UMNHHGAZUBCLPZ-QMMMGPOBSA-N 256.111 -0.800 50 20 CBGD Cn1nccc1C(=O)NNC(=O)COc1ccccc1O 730780594 PBIFWRVTZARIGI-UHFFFAOYSA-N 290.279 -0.034 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)Sc1nnnn1C 731905279 YZJQDMPAELMISO-SSDOTTSWSA-N 286.361 -0.116 50 20 CBGD Cc1[nH]nc(C(=O)NNC(=O)c2ccccn2)c1O 747649046 QMJZTYDPMNGTSZ-UHFFFAOYSA-N 261.241 -0.106 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)c2ccncc2)nc1 749562094 MCZDCALZTSZVSM-UHFFFAOYSA-N 285.263 -0.350 50 20 CBGD C[C@@H]1CN(C)CC1=NNC(=O)C(=O)N1CCCC1 752165024 OJLAAWHVQGAZHQ-SECBINFHSA-N 252.318 -0.338 50 20 CBGD CC(C)(O)C(=O)NNC(=O)Cn1cc2ccccc2n1 768260312 AXSUEQVXPTXJQG-UHFFFAOYSA-N 276.296 -0.045 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)c2ccc[nH]2)nn1 768483419 QMWKTNJJEYANJQ-UHFFFAOYSA-N 262.229 -0.545 50 20 CBGD CNC(=O)NNC(=O)c1cc2c(cc1O)OCO2 769718992 ATQOOWXYGUVCND-UHFFFAOYSA-N 253.214 -0.305 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2CCN(C)C2=O)n1 772134485 UTQCOKJMCNIGTP-ZETCQYMHSA-N 265.273 -0.593 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1ccn(C)n1 772268351 XHASAKQNBQRRSW-MRVPVSSYSA-N 282.300 -0.548 50 20 CBGD O=C(NNc1cnccn1)[C@H]1CCCCS1(=O)=O 775279286 VDQAGOJIUYRZTK-MRVPVSSYSA-N 270.314 -0.113 50 20 CBGD Cc1cc(NC(=O)NNC(=O)CN(C)C)n(C)n1 775450539 OIVZNMPNIIDGKP-UHFFFAOYSA-N 254.294 -0.557 50 20 CBGD CO[C@H](C(=O)NNC(=O)N1CCOCC1)C1CC1 792107152 OZHIAIZMGDEBNW-VIFPVBQESA-N 257.290 -0.516 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cnco2)CC1 807381277 MITUCROPJCZCET-UHFFFAOYSA-N 253.262 -0.724 50 20 CBGD Cc1ccncc1C(=O)NNC(=O)N1CCN(C)CC1 807382376 HIWCCVXHAWQYJU-UHFFFAOYSA-N 277.328 -0.008 50 20 CBGD O=C(O)CSCC(=O)NNc1ncnc2[nH]cnc12 819539589 AHTPZFQXDPJGPI-UHFFFAOYSA-N 282.285 -0.386 50 20 CBGD O=C(CN1CCOC1=O)NNC(=O)NCC(F)(F)F 822672135 VBRTXBZRLWZTHE-UHFFFAOYSA-N 284.194 -0.669 50 20 CBGD CCN(CCO)NC(=O)[C@@H](C(C)C)N1CCCC1=O 823856729 YIQIDQKHBISAAN-GFCCVEGCSA-N 271.361 -0.021 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCn1cncn1 825685971 AVCZQLXPTYHBCW-UWVGGRQHSA-N 296.331 -0.576 50 20 CBGD NCCOCC(=O)NNc1nc(-c2ccncc2)no1 828217935 RHOYVEDANLTONS-UHFFFAOYSA-N 278.272 -0.450 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2C[C@H]2C(=O)O)n1 831972818 RGXVXTDQXTXWLJ-RNFRBKRXSA-N 266.257 -0.043 50 20 CBGD CCONC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 840466751 LZVDCSGZTUDFDJ-UHFFFAOYSA-N 291.271 -0.442 50 20 CBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)N1)c1ccccc1 845070702 PYFYOSOMTWSFIV-VIFPVBQESA-N 283.309 -0.861 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=S)N[C@H](C)C1CC1 855099174 SSWDQTIQPUMEPR-RDDDGLTNSA-N 275.374 -0.322 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)CNc1ccccc1 856772902 JTPAGERMUVCUNW-NSHDSACASA-N 281.312 -0.093 50 20 CBGD C[C@@H](NNC(=O)[C@H]1CN2CCCN1CC2)C(F)(F)F 862315978 IMQOFFLOCRFIKM-RKDXNWHRSA-N 280.294 -0.052 50 20 CBGD CSCC[C@@H](O)C(=O)NNC(=O)c1cn[nH]c1 862472788 SBIMCCPDKMHGQA-SSDOTTSWSA-N 258.303 -0.715 50 20 CBGD COc1cncc(C=NNC(=O)[C@H]2CCC(=O)N2)c1 863150883 DKRBXISJAAPPJB-SNVBAGLBSA-N 262.269 -0.181 50 20 CBGD O=C1C[C@H](Cc2nc(-c3cccc(B(O)O)c3)no2)CO1 863892799 JATACRRZKXSTTC-QMMMGPOBSA-N 288.068 -0.478 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1COc2ccccc21 869910857 ZWSGFRPIPDSUGG-NSHDSACASA-N 294.307 -0.027 50 20 CBGD COc1ccc(CC(=O)NNC(=O)CO)c(C)c1 897606547 QVJCMZGPZMMAEA-UHFFFAOYSA-N 252.270 -0.314 50 20 CBGD O=C(CNC(=O)N1CCCC1)NN=c1cc[nH]cc1 907257934 UOUXSAOOQWTNRB-UHFFFAOYSA-N 263.301 -0.248 50 20 CBGD CC(=O)NNS(=O)(=O)c1cc(C(=O)O)n(C)c1 912979486 ZIGHMCBQVYWTOM-UHFFFAOYSA-N 261.259 -0.947 50 20 CBGD C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)CN2CCCC2=O)[C@@H]1C 913730207 LNGOYIKRBZSUPS-COMAGPEQSA-N 297.355 -0.184 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CC1(F)F 913733406 IJIZBIIUMBKCTP-LURJTMIESA-N 261.228 -0.589 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCC(=O)NCC1CC1 1118187468 PECDCCSTVNJIKC-PSASIEDQSA-N 298.343 -0.732 50 20 CBGD CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)C2CCOCC2)C1 1119665073 MVQWKBFHKCILJI-CQSZACIVSA-N 297.355 -0.181 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc2nc[nH]c2n1 1320099521 GLZZVCHZGAPDLP-UHFFFAOYSA-N 290.283 -0.757 50 20 CBGD NC(=O)CSCC(=O)NNC(=O)c1ccncc1 1322989285 RONVIXRJYRQYMJ-UHFFFAOYSA-N 268.298 -0.939 50 20 CBGD CCn1nncc1C(=O)NNC(=O)NCC1CC1 1324488488 LSGZUJWYMIUGGR-UHFFFAOYSA-N 252.278 -0.348 50 20 CBGD CN(C)c1ncc(C=NNC(=O)C(=O)NC2CC2)n1C 1325940875 VBXUIZANNUIAJV-UHFFFAOYSA-N 278.316 -0.785 50 20 CBGD Cc1cnc(CC(=O)NNC(=O)CN2CCCC2=O)s1 1332707953 RFBIKKWZEUWOPW-UHFFFAOYSA-N 296.352 -0.236 50 20 CBGD O=C(NCCN1CC=CC1)c1cc(B(O)O)ccc1F 1335510872 CVJCPSUILHHOBQ-UHFFFAOYSA-N 278.092 -0.893 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc[nH]2)CN1 1337467885 KTPIYQSYBDTBSL-ZETCQYMHSA-N 250.258 -0.698 50 20 CBGD O=C(NNc1ncccn1)c1ccc2nn[nH]c2n1 1342324636 HXPJPCBQDOHPIR-UHFFFAOYSA-N 256.229 -0.100 50 20 CBGD C#C[C@@H](C)NC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1588326582 PVBUFFAMWXYXKW-SSDOTTSWSA-N 272.272 -0.091 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@]2(C(=O)O)CC2(C)C)CC1 1593781130 PJUZFXUCMFWKRB-ZDUSSCGKSA-N 298.343 -0.525 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cncc(C(=O)O)c1 1604387102 RIGMPEVNDBONLW-SSDOTTSWSA-N 253.258 -0.263 50 20 CBGD CN[C@@H]1CCN(CC(=O)NNC(=O)c2cccs2)C1 129083193 BSTAIVGANFLVBT-SECBINFHSA-N 282.369 -0.197 50 20 CBGD Cc1cc(C(=O)NNC(=O)CN2CCCCCC2=O)[nH]n1 194227677 LQEOKOBMDJOQQB-UHFFFAOYSA-N 293.327 -0.118 50 20 CBGD CCONC(=O)NNC(=O)CNC(=O)c1cccs1 274855200 BRYGOPJIIDCTGK-UHFFFAOYSA-N 286.313 -0.240 50 20 CBGD CC(=O)CC(C)(C)CC(=O)NNC(=O)C(=O)NC1CC1 276334998 RTCLVKRYYRIBPI-UHFFFAOYSA-N 283.328 -0.192 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CC(c2cccnc2)=NO1 277916092 IDAUNFQOKWOPNQ-SNVBAGLBSA-N 292.295 -0.507 50 20 CBGD C[C@H](CN)C(=O)NNc1nc2ccccc2c(=O)n1C 285672910 LGDGYUZAHRHQHE-MRVPVSSYSA-N 275.312 -0.029 50 20 CBGD COC(=O)N(C)NC(=O)CN1C(=O)NC2(CCCC2)C1=O 286431325 RBRAZSYGOZVULV-UHFFFAOYSA-N 298.299 -0.420 50 20 CBGD C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NN)C2=O 361761982 GOMMEIITMDZBOX-CPCISQLKSA-N 254.290 -0.523 50 20 CBGD COC(=O)N(C)NC(=O)[C@H](C)CN1CCOCC1 495628584 JCRCVALGJJYMKU-SECBINFHSA-N 259.306 -0.316 50 20 CBGD CCN(CC)[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584953405 CKCXNJITCBGSSX-AWEZNQCLSA-N 290.172 -0.077 50 20 CBGD C[C@@H]1CCC[C@]1(O)CNC(=O)c1ccc(B(O)O)cc1 584995477 UYPOMHLDJYQMIH-YGRLFVJLSA-N 277.129 -0.353 50 20 CBGD CC(=O)N1CC[C@H](NCc2ccc(B(O)O)cc2)C1 585030830 JTCGIYDCGYXYHF-ZDUSSCGKSA-N 262.118 -0.923 50 20 CBGD C[C@@]1(CNCc2ccccc2B(O)O)CCC(=O)N1 585044838 VWOWPQJWRSYWLM-ZDUSSCGKSA-N 262.118 -0.875 50 20 CBGD O=C1CCCN1CCNCc1ccc(B(O)O)cc1F 585045686 LOGQJEIFALTRSJ-UHFFFAOYSA-N 280.108 -0.783 50 20 CBGD N#CC1(c2nc(-c3cccc(B(O)O)c3)no2)CCOCC1 585052624 SHCKPMWPUDONLO-UHFFFAOYSA-N 299.095 -0.012 50 20 CBGD Cn1nc(O)c2c(C(=O)NCB(O)O)cc(C3CC3)nc21 585059961 HPUCSLKKGLSDQV-UHFFFAOYSA-N 290.088 -0.707 50 20 CBGD CC(C)n1nnnc1SCC(=O)NNC(=O)C1CC1 742451954 BCBIBICDBHHJPS-UHFFFAOYSA-N 284.345 -0.097 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)Cc2ccncc2)CCC1 747428713 SYHKHNOPHVWXFG-UHFFFAOYSA-N 290.323 -0.312 50 20 CBGD N#Cc1ccc(NNC(=O)CCn2cc[nH]c(=O)c2=O)cc1 748113241 OENHGLJDXGXNRP-UHFFFAOYSA-N 299.290 -0.058 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CC(=O)N(CC)C1 771989399 HZKYLVAFZKMOJC-BDAKNGLRSA-N 299.327 -0.656 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCCN1C 772141544 GKKWLRQIJKAEEO-ZJUUUORDSA-N 285.344 -0.040 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1cnccn1 772219672 KADFMCZDEKHNFO-VIFPVBQESA-N 250.258 -0.193 50 20 CBGD COC(=O)CCC(C)=NNC(=O)NCC(=O)OC 779817438 RLGZCQPPFFAMLT-UHFFFAOYSA-N 259.262 -0.212 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H](C)S(C)(=O)=O 780708048 DWKNOKYKIPTNFV-LURJTMIESA-N 251.308 -0.888 50 20 CBGD Cn1cnn(CC(=O)NNc2cnnc3ccccc23)c1=O 781425125 DYDWIYMCAFTIHF-UHFFFAOYSA-N 299.294 -0.332 50 20 CBGD CCC[C@@]1(C)C(=O)NCCN1CC(=O)NNC(=O)C1CC1 782658987 VOVPLLHSSYICHJ-AWEZNQCLSA-N 296.371 -0.466 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H](C)CN(C)C 807576564 SYALRPZAUURBBX-UWVGGRQHSA-N 290.364 -0.682 50 20 CBGD NS(=O)(=O)c1ccc(C=NNC(=O)CO)cc1Cl 807980477 QRQYLSGEOGTQEE-UHFFFAOYSA-N 291.716 -0.570 50 20 CBGD COCCN(C)NC(=O)[C@@H](C)N1CCN(C)CC1 808074073 WZIFDOGEVZDCQV-LLVKDONJSA-N 258.366 -0.768 50 20 CBGD NC(=O)c1cccc(C(=O)NNC(=O)CC2CC2)n1 819118454 VNWWJELOKQWHII-UHFFFAOYSA-N 262.269 -0.258 50 20 CBGD CC(=O)N[C@H](C(=O)NN(C)[C@H](C)CO)C(C)(C)C 823917697 MOYSQHYVQRMKNF-PSASIEDQSA-N 259.350 -0.119 50 20 CBGD Cc1onc(CC(=O)NNC(=O)C2CC2)c1-c1nn[nH]n1 826347966 NVHCGQTYKDYGLL-UHFFFAOYSA-N 291.271 -0.737 50 20 CBGD CN(C)C1(C(=O)NNC(=O)Cc2ccncc2)CC1 829567155 ZNOUXCLVZWQBJA-UHFFFAOYSA-N 262.313 -0.134 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCn1ccnn1 843645457 RFDBYOPJKQNGGF-DTWKUNHWSA-N 267.289 -0.759 50 20 CBGD Cc1ccn(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1 843659576 JEVUALFCOVEAFR-VHSXEESVSA-N 266.301 -0.236 50 20 CBGD CC[C@@H]1COCC1=NNC(=O)Cc1cc(O)nc(O)n1 853312265 OEALGEFGGNRYOY-SSDOTTSWSA-N 280.284 -0.041 50 20 CBGD COC/C(C)=C/C(=O)NNC(=O)N1CCN(C)CC1 854382166 ZSPDOKMUIMNNTM-CSKARUKUSA-N 270.333 -0.433 50 20 CBGD C[C@H](N)CCNC(=O)NNC(=O)[C@@H]1CCCCO1 857109051 HCDVPESURGRAKU-IUCAKERBSA-N 258.322 -0.377 50 20 CBGD CC(C)(C)OC(=O)C1(C(=O)NNC(=O)CO)CC=CC1 857170641 QVARGPSATAOLEX-UHFFFAOYSA-N 284.312 -0.196 50 20 CBGD CC(=O)NNC(=O)[C@@]1(C2CCCC2)CCNC1=O 858108685 FIZXKRHYDOORRX-GFCCVEGCSA-N 253.302 -0.150 50 20 CBGD CO[C@H](C)CCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858194799 KLIDKKUBAXMARG-SFYZADRCSA-N 272.305 -0.980 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCCC2CCC2)N1 858292416 ZSBJCGATSRNSFV-SECBINFHSA-N 268.317 -0.214 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H]1C(N)=O 859665922 XONMSZAHGVEBTJ-QMMMGPOBSA-N 270.333 -0.870 50 20 CBGD C[C@@]1(C(=O)NNC(=O)CO)COc2ccccc2O1 863903909 XLVSGZMOXZVDBQ-LBPRGKRZSA-N 266.253 -0.644 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cn[nH]c2)CC1(C)C 883737612 FRYMEVPKQYEILH-UHFFFAOYSA-N 280.332 -0.210 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1CN(CC)CCO1 887144126 BWGNJZHAXZLAQI-LLVKDONJSA-N 267.329 -0.342 50 20 CBGD COc1ccc([C@@H](NC(C)C)C(=O)NNC(=O)CO)cc1 897312265 BFIJJRVROBPCHS-CYBMUJFWSA-N 295.339 -0.126 50 20 CBGD C[C@]1(C(=O)NCCOCC(N)=O)C[C@@H]1Br 906996404 DQNGMXJBUUYNQT-RCOVLWMOSA-N 279.134 -0.222 50 20 CBGD C=CC(=O)N(CC)CC(=O)NN(C)C(=S)NC 909994194 UYFCSECELCHRER-UHFFFAOYSA-N 258.347 -0.512 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)c1ccc[nH]1 915263124 PGTABHXQMRHBJY-ZETCQYMHSA-N 252.274 -0.310 50 20 CBGD CO[C@H](C)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 917623041 ZVRLMGSITXTDSX-BDAKNGLRSA-N 264.347 -0.486 50 20 CBGD N#CC1=CCN(C(=O)[C@@H]2CSCC(=O)N2)CC1 935160176 OXMOVSFBTWDKSW-VIFPVBQESA-N 251.311 -0.100 50 20 CBGD NC(=O)c1ccc(NC(=O)NNC(=O)CCO)cc1F 1116596135 LYACCALXXQIFRF-UHFFFAOYSA-N 284.247 -0.540 50 20 CBGD C[C@H](CC(=O)NNC(=O)Cc1cc[nH]n1)n1ccnc1 1261510418 YGVMKDJZJLIXLB-SECBINFHSA-N 276.300 -0.053 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1ccoc1 1261834990 DRCOTPYTVYFPBH-UHFFFAOYSA-N 260.271 -0.986 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)CN1CCCC1=O 1318282213 LHDYAIJYSMHKMN-UHFFFAOYSA-N 276.296 -0.606 50 20 CBGD Cn1cnc(C(=O)NNC(=O)N2CCOCC2)c1 1319747340 RVXYORFOEWQOCV-UHFFFAOYSA-N 253.262 -0.893 50 20 CBGD Cc1nc(S(=O)(=O)NNC(=O)c2ccc[nH]2)cn1C 1322366852 AZDOAXNXSWCNJG-UHFFFAOYSA-N 283.313 -0.320 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1CCOCC1 1326364776 VFFBQOAOZGRXDI-WCBMZHEXSA-N 256.302 -0.015 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2CCC[C@H](F)C2)N1 1328800294 QXKDNZBNPIXWOM-XHNCKOQMSA-N 286.307 -0.124 50 20 CBGD O=C1COc2ccc(C(=O)N3CC[C@@H](B(O)O)C3)cc2N1 1331825370 AQFMEKRBBQCWHS-SECBINFHSA-N 290.084 -0.294 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1cc(F)cc(OC)c1 1337066323 YSRJKFIGOZZQBW-UHFFFAOYSA-N 299.258 -0.162 50 20 CBGD O=C(CCO)NNC(=O)C(=O)Nc1cc(F)cc(F)c1 1342607101 KTSGYPCUIOMCHC-UHFFFAOYSA-N 287.222 -0.567 50 20 CBGD N#CC1=CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 1412688829 IYCSGHVMTKQMPR-UHFFFAOYSA-N 295.324 -0.787 50 20 CBGD N[C@H](CC(=O)NNC(=O)CO)Cc1ccccc1 1580405370 JDURUQMQKNSBEH-JTQLQIEISA-N 251.286 -0.914 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CNC[C@H]1Cc1ccccc1 1580557520 DVWMSRMUBKCXGZ-VXGBXAGGSA-N 277.324 -0.796 50 20 CBGD O=C(NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CCNCC1 1580736207 ODNDAOJLBOWSEH-SDDRHHMPSA-N 281.356 -0.052 50 20 CBGD C[C@H](CNC(=O)NNC(=O)c1cccc(F)n1)C(=O)O 1589057047 WDADYFCNFOEYQA-ZCFIWIBFSA-N 284.247 -0.115 50 20 CBGD OB(O)[C@@H]1CCN(c2cccc(-c3nn[nH]n3)n2)C1 1593498547 QCKWRVWGVKSWFM-SSDOTTSWSA-N 260.066 -0.685 50 20 CBGD COc1nccnc1NNC(=O)[C@H]1CC(C(=O)O)=NO1 1594159582 SCLZVQFMTJDQEZ-ZCFIWIBFSA-N 281.228 -0.842 50 20 CBGD CN(C)CC(=O)NNC(=O)CC(C)(C)CC(=O)O 1598196549 HVZCDSOPNBRHHI-UHFFFAOYSA-N 259.306 -0.414 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cc(C(=O)O)n(C)c1 1598864235 DSJVMEXYUQBJAE-UHFFFAOYSA-N 282.256 -0.471 50 20 CBGD COCCOCC(=O)NN=Cc1ccc(C(=O)O)n1C 1599248748 ZMSISYQZSCEHIS-UHFFFAOYSA-N 283.284 -0.164 50 20 CBGD C[C@@H]1C[C@H](C(=O)NN=c2cc[nH]cc2)O[C@H]1C(=O)O 1599875733 CJRMWJZUBLUREF-SZEHBUNVSA-N 265.269 -0.175 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)N2CCOC[C@@H]2C(=O)O)cn1 1600945631 IGGZOBORLCFUHA-NEOSZVFXSA-N 290.279 -0.361 50 20 CBGD O=C(O)[C@H]1CCCCCN1C(=O)c1cccc(B(O)O)c1 1601815310 AOTXTBVGGIYXPU-GFCCVEGCSA-N 291.112 -0.164 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1coc(/C=C/C(=O)O)c1 1602953656 GUAUSZVVCBYBNX-ONEGZZNKSA-N 282.252 -0.091 50 20 CBGD COCCOCCC(=O)NNC(=O)c1cccn1C 63678688 GJANXFCCLKYOKZ-UHFFFAOYSA-N 269.301 -0.161 50 20 CBGD O=S(=O)(CCl)NCCCN1CCOCC1 82512152 PKFUTEVXTLXJAB-UHFFFAOYSA-N 256.755 -0.176 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccc(O)nc2)cn1 117681509 ODXYGXZKOCHCEZ-UHFFFAOYSA-N 261.241 -0.405 50 20 CBGD Cc1ccccc1CC(=O)NNC(=O)CN(C)C[C@H](C)O 159523118 BGFZALNQBIFBMW-LBPRGKRZSA-N 293.367 -0.002 50 20 CBGD Cc1cccc(NNC(=O)CN2C(=O)CNC2=O)c1 192834672 DRGDEAKPXLJQAM-UHFFFAOYSA-N 262.269 -0.010 50 20 CBGD C[C@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)CN(C)C 263917614 PQFQOQJZXIJJSI-NOZJJQNGSA-N 293.323 -0.076 50 20 CBGD O=C(COCc1ccccc1)NNC(=O)[C@@H]1CCC(=O)N1 265707705 ZCFCQVIQVIKWCQ-NSHDSACASA-N 291.307 -0.371 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)/C=C/CN(C)C 265869460 IRVYUSIDULYUBC-BQYQJAHWSA-N 284.360 -0.444 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CCCCO1 269427487 MJPMRCSSKYWKEE-SNVBAGLBSA-N 295.295 -0.274 50 20 CBGD COCC(C)(C)C(=O)NNC(=O)CNC(=O)c1ccco1 270030621 HRBJIROFJLAANC-UHFFFAOYSA-N 297.311 -0.171 50 20 CBGD COC(=O)CN(C)CC(=O)NNC(=O)c1ccc(F)cc1 272793005 TZYLJTXDYSSEKZ-UHFFFAOYSA-N 297.286 -0.309 50 20 CBGD CO[C@@H](C)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 298837018 DODRNOLRMAXGJU-QMMMGPOBSA-N 290.283 -0.542 50 20 CBGD CC(=O)N1CCC(NC(=O)c2ccc(B(O)O)cc2)CC1 584925775 NWVFVLNXUIZGPP-UHFFFAOYSA-N 290.128 -0.893 50 20 CBGD CCC[C@H](NC(=O)c1cccc(B(O)O)c1)c1nn[nH]n1 584961388 TZMNQAWLPUWLPC-JTQLQIEISA-N 289.104 -0.849 50 20 CBGD CC(C)[C@H](O)C1(CNC(=O)c2cccc(B(O)O)c2)CC1 584970478 CUWNLKWQQQSDHV-ZDUSSCGKSA-N 291.156 -0.107 50 20 CBGD CC(C)OCC[C@H](C#N)NC(=O)c1ccc(B(O)O)cc1 584974386 OAUOGQRKDRCIMQ-CYBMUJFWSA-N 290.128 -0.197 50 20 CBGD CCC[C@@H](CNC(=O)c1cccc(B(O)O)c1)OC 584994712 DKEZJMKKIJRSDN-LBPRGKRZSA-N 265.118 -0.089 50 20 CBGD C[C@@H](CCCO)CNC(=O)c1cccc(B(O)O)c1 584995241 JNYVPLAFQLAECT-JTQLQIEISA-N 265.118 -0.495 50 20 CBGD C[C@H](CCO)N(C)C(=O)c1ccc(B(O)O)c(F)c1 585004468 FRZXYMBLUGTYSC-MRVPVSSYSA-N 269.081 -0.652 50 20 CBGD CC(C)(CNCc1ccccc1B(O)O)N1CCOCC1 585014430 RCUALWVPCQXIKG-UHFFFAOYSA-N 292.188 -0.433 50 20 CBGD O=C(NCB(O)O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 585059269 HEVUWNWJMJKTGJ-GHMZBOCLSA-N 282.149 -0.457 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1ccc2nncn2c1 726163718 MNEAJVLQDDIDSK-UHFFFAOYSA-N 290.283 -0.584 50 20 CBGD CCCCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729275350 NVZGRZPERPDANA-SSDOTTSWSA-N 265.335 -0.738 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)NCC2CC2)CCC1 729968046 GRCKGRCSTMKXLT-UHFFFAOYSA-N 268.317 -0.357 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)CC(=O)N1CCCC1 732197284 NEXGEQFSKAQPJS-JTQLQIEISA-N 284.360 -0.514 50 20 CBGD O=C(NCCCN1C(=O)CCC1=O)NNC(=O)C1CCC1 732246212 IYBSMHQIUXBEGM-UHFFFAOYSA-N 296.327 -0.344 50 20 CBGD CCCNC(=O)NNC(=O)CSc1n[nH]c(C)n1 746171575 WXKFABIPCMYBOH-UHFFFAOYSA-N 272.334 -0.054 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CCNS(C)(=O)=O)o1 752780786 FPUASGLLMXRVIG-UHFFFAOYSA-N 289.313 -0.712 50 20 CBGD CSc1ccc(NC(=O)NNC(=O)CO)nc1 758003957 SPOWQLHVLLXBLM-UHFFFAOYSA-N 256.287 -0.052 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1[C@H]2CCC[C@H]21 758042863 BKXDIMHLLCSILJ-RBXMUDONSA-N 289.357 -0.882 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cc2n(n1)CCCO2 761730210 JPONNLPUNWIISA-UHFFFAOYSA-N 290.283 -0.228 50 20 CBGD CO[C@H](C)C(C)=NNC(=O)Cc1cc(O)nc(O)n1 763171649 LQWKYBLMNRZTOH-SSDOTTSWSA-N 268.273 -0.043 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](O)C(C)(C)C 764633640 QZVULFOKSBUMOY-SSDOTTSWSA-N 259.306 -0.935 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H](C)[C@@H](O)C1 768767728 FTMNJMJGPIIHDV-DCAQKATOSA-N 271.361 -0.119 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN[C@H](CO)C1CC1 771815493 VNRREJZFKWMNMX-SECBINFHSA-N 257.334 -0.460 50 20 CBGD Cc1ccc(NC(=O)C(=O)NN(C)C(N)=O)cc1 776302205 YXQGTMWXAPPQOW-UHFFFAOYSA-N 250.258 -0.025 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@H](COC)OC 781388254 TXECKGJUTWWMMC-MRVPVSSYSA-N 263.294 -0.985 50 20 CBGD CN(C)c1nccc(NNC(=O)Cc2ccn(C)n2)n1 782853130 GJLYMFNFCXFWMT-UHFFFAOYSA-N 275.316 -0.038 50 20 CBGD Cc1nnsc1C(=O)NNC(=O)c1cnn(C)c1 788002187 WEKDXSDTCQFKGU-UHFFFAOYSA-N 266.286 -0.345 50 20 CBGD CCOCC1(C(=O)NNC(=O)N2CCOCC2)CC1 799591373 KQCIDSHDBUSGQK-UHFFFAOYSA-N 271.317 -0.124 50 20 CBGD COC(=O)c1ccc(/C=C(/C#N)S(N)(=O)=O)[nH]1 799894284 QYLFPQZBTURLLA-DAXSKMNVSA-N 255.255 -0.046 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cccc2c1OCO2 800834681 PFVVEUOERFILFW-UHFFFAOYSA-N 273.270 -0.462 50 20 CBGD C=C[C@@H](O)C(=O)OCC(=O)NNC(=O)c1cccs1 814548943 BIKVOXLIYYOSHC-SSDOTTSWSA-N 284.293 -0.401 50 20 CBGD CN(C)c1ncc(C=NNC(=O)C(C)(C)O)cn1 814908987 IPWLEGNLYXFUOU-UHFFFAOYSA-N 251.290 -0.236 50 20 CBGD C[C@](O)(Cn1ccccc1=O)C(=O)NNC(=O)CC1CC1 819136406 VHKKWDKCOVBGKH-AWEZNQCLSA-N 293.323 -0.453 50 20 CBGD CCNC(=O)NNC(=O)c1cc(-c2nn[nH]n2)cs1 821293384 LARUJAXRZNFQJR-UHFFFAOYSA-N 281.301 -0.108 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 823842438 SXJDNKHAZXVYQR-SECBINFHSA-N 255.318 -0.657 50 20 CBGD CCN(CCO)NC(=O)c1noc2c1COCC2 823897656 IGQMDQXLFQSFRE-UHFFFAOYSA-N 255.274 -0.294 50 20 CBGD Cc1ccccc1CC(=O)NNC(=O)[C@H]1CCNC1=O 830332226 RGRIGVSEJZZQNX-NSHDSACASA-N 275.308 -0.179 50 20 CBGD CC1(C)CN(CC(=O)NNC(=O)C2CC2)[C@@H]2COC[C@@H]21 832775043 JCAUGKBMDCHBGW-WDEREUQCSA-N 281.356 -0.099 50 20 CBGD C[C@H](C(=O)O)n1cccc1C=NNC(=O)C(=O)NC1CC1 833406418 FJZLUXLSAJGCSK-MRVPVSSYSA-N 292.295 -0.138 50 20 CBGD Cn1cc(C=NNC(=O)c2ccccc2)c(=O)n(C)c1=O 839384374 WJVOIONPLMWOIF-UHFFFAOYSA-N 286.291 -0.152 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CN1CCCCC1=O 843642828 HACGYGOIQJNJJX-NXEZZACHSA-N 283.328 -0.429 50 20 CBGD Cc1c[nH]cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1=O 843978968 LFTDDLXSQSHEAH-RKDXNWHRSA-N 279.296 -0.131 50 20 CBGD COC(=O)CSCCC(=O)NNC(=O)c1cc[nH]n1 855358315 GCFQBLBWAGZVMX-UHFFFAOYSA-N 286.313 -0.533 50 20 CBGD Cc1noc(CCC(=O)NNC(=O)c2cc[nH]n2)n1 855361603 FLEBRTPKMNKREF-UHFFFAOYSA-N 264.245 -0.505 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)c2cccc(F)n2)C1 856427029 MNCGRRGOMTYCNN-UHFFFAOYSA-N 280.259 -0.540 50 20 CBGD COCCOCC(=O)NNc1nccnc1OC 857539750 BVHVIUOKWDHWDM-UHFFFAOYSA-N 256.262 -0.409 50 20 CBGD CN(C)Cc1cccc(NC(=O)NNC(=O)CN)c1 857762791 CUSWLFBWLOYNDI-UHFFFAOYSA-N 265.317 -0.140 50 20 CBGD COCCCN(C)C(=O)NNC(=O)c1cn[nH]c1 858704598 TVUWMQRVCIPHFP-UHFFFAOYSA-N 255.278 -0.268 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)nc1 862457472 KGEPQSLJJXWDFJ-SECBINFHSA-N 262.269 -0.570 50 20 CBGD CCC(=O)C1(C(=O)NNC(=O)c2cn[nH]c2)CC1 862469487 LXAXQTZEURDJJK-UHFFFAOYSA-N 250.258 -0.070 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2nccn2C1)c1cn[nH]c1 862469618 QOXPVXOXEHWMNY-QMMMGPOBSA-N 274.284 -0.370 50 20 CBGD COC(=O)CCCNC(=O)c1cc(B(O)O)ccc1F 863869732 ROZJTTABRIUSMH-UHFFFAOYSA-N 283.064 -0.812 50 20 CBGD CCOC(=O)N[C@@H](C(=O)N1CC[C@H](B(O)O)C1)C(C)C 864234585 SZNPLYJDAVUTID-VHSXEESVSA-N 286.137 -0.168 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccc(C=O)s1 869901834 ZQSPZTZZDARHCV-UHFFFAOYSA-N 286.309 -0.015 50 20 CBGD COc1nn(C)cc1C(=O)NNc1nccnc1OC 883971490 DLRNLCJEXBLZII-UHFFFAOYSA-N 278.272 -0.016 50 20 CBGD COC(=O)N1CCC(C(=O)NN(C)C[C@H](C)O)CC1 910138913 MOBUHSQAQONTMM-VIFPVBQESA-N 273.333 -0.191 50 20 CBGD CCN1CCC[C@H](NC(=O)NN(C)C(=O)OC)C1=O 925983167 CLLAJSUXOAJVTA-QMMMGPOBSA-N 272.305 -0.090 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H]2[C@H](N(C)C)[C@H]2C1 931281329 YCIUXCQRJLMSKW-UXCLJVHYSA-N 268.361 -0.576 50 20 CBGD CC(C)N1CCC[C@@H]1C(=O)NNC(=O)N1CCN(C)CC1 935859905 GQEXVHCSARPIKA-GFCCVEGCSA-N 297.403 -0.153 50 20 CBGD CCOC(=O)NNC(=O)C(=O)c1cnn(CC)c1 1116398138 MSPKEFHYTOBJHO-UHFFFAOYSA-N 254.246 -0.137 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](C)[C@@](C)(OC)C1CC1 1117946583 ZDNWHPBRGALGMF-JMCQJSRRSA-N 287.316 -0.307 50 20 CBGD CCn1cc(NC(=O)C(=O)NNC(=O)C(C)C)cn1 1254897027 MOSQBBIKWILMIF-UHFFFAOYSA-N 267.289 -0.355 50 20 CBGD Cc1nn(C)c2ncc(C(=O)NN(C)C(N)=O)cc12 1319841811 XEYOAMXSEQRUOR-UHFFFAOYSA-N 262.273 -0.068 50 20 CBGD CC(C)NC(=S)NNC(=O)CN1CCCNC1=O 1324231445 RWUVNCCARKCLFM-UHFFFAOYSA-N 273.362 -0.695 50 20 CBGD O=C(CC[C@@H]1NC(=O)NC1=O)NCC(Cl)Cl 1328384549 QKAJJAOJDYBAKE-BYPYZUCNSA-N 268.100 -0.106 50 20 CBGD CC(C)C(=O)NNC(=O)CCCCCS(N)(=O)=O 1329616057 QBYXWDOHMUFSJU-UHFFFAOYSA-N 279.362 -0.361 50 20 CBGD CC(=NNC(=O)CCO)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1330028526 FRKFYWIUIIYFDQ-UHFFFAOYSA-N 290.279 -0.561 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CCO[C@@H](C)C1 1330604026 PSDYQAIMJVGHGP-VHSXEESVSA-N 274.317 -0.388 50 20 CBGD CCOCCONC(=O)NNC(=O)C1CCOCC1 1333162123 WYPRDMDWRPPCHU-UHFFFAOYSA-N 275.305 -0.289 50 20 CBGD CO[C@@H](C)CC(=O)NNc1nc(O)c2cnn(C)c2n1 1340733152 PPPOKTGSZXGOPN-LURJTMIESA-N 280.288 -0.063 50 20 CBGD Cc1ccnn1CC(=O)NNc1nccn(C)c1=O 1348468757 SAKVPBFMBIXGKZ-UHFFFAOYSA-N 262.273 -0.571 50 20 CBGD CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NNC(=O)c1cn[nH]c1 1351343614 PLYMSTKUTXAUFF-IUCAKERBSA-N 294.315 -0.732 50 20 CBGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)C2CCOCC2)C1 1354128415 MRZDGGQKXBWREM-NSHDSACASA-N 297.355 -0.181 50 20 CBGD Cc1nnc(NNC(=O)NCCCN2CCNCC2)n1C 1579912819 QIEIYIRXLALNMN-UHFFFAOYSA-N 296.379 -0.955 50 20 CBGD CC(C)(C)[C@H](C(=O)O)C(=O)NNC(=O)Cc1cc[nH]n1 1588634861 SIWLNRPALLVCEQ-VIFPVBQESA-N 282.300 -0.154 50 20 CBGD Cn1c(C(=O)O)ccc1C(=O)NNC(=O)N1CCOCC1 1600904190 SRCGXPWPTWRMEE-UHFFFAOYSA-N 296.283 -0.590 50 20 CBGD CC(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1842762770 RWFSBXPUAMKDRZ-SECBINFHSA-N 260.721 -0.191 50 20 CBGD CCOC(=O)NNC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 21770383 JAGOTSHVVBBHRZ-DTORHVGOSA-N 295.295 -0.285 50 20 CBGD COc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cn1 48482471 FULOOYRUKLLSAO-UHFFFAOYSA-N 280.284 -0.624 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)NCc2ccco2)C1 174297085 YJZRIGRMUGLFDB-NSHDSACASA-N 296.327 -0.169 50 20 CBGD COc1cc(C)nc(NNC(=O)CN2CCCC2=O)n1 266893668 FWJWDPCHRGYBKT-UHFFFAOYSA-N 279.300 -0.141 50 20 CBGD O=C1CCC[C@H](C(=O)NNC(=O)NC2CCCC2)N1 270385062 ZYIWEDANGCSPCU-SECBINFHSA-N 268.317 -0.072 50 20 CBGD O=C(CNC(=O)c1cccc(O)c1)NNC(=O)C1CC1 274451153 IXEUXVFBOMDZPA-UHFFFAOYSA-N 277.280 -0.321 50 20 CBGD O=C(CCOCC(F)F)NNC(=O)C(=O)N1CCCC1 276673467 ZFNAODXPJQHHLN-UHFFFAOYSA-N 293.270 -0.572 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1N 278034208 UZFPBTZJVZHWNE-UHFFFAOYSA-N 282.256 -0.291 50 20 CBGD CCOC(=O)NNS(=O)(=O)c1cncc(C#N)c1 495850689 ONDWFFOQMCBOIA-UHFFFAOYSA-N 270.270 -0.107 50 20 CBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NNC(=O)N(C)C)C2 496273776 KGPMWYGRVQHLEF-GUBZILKMSA-N 296.327 -0.068 50 20 CBGD CO[C@H](C)CCNC(=O)c1cccc(B(O)O)c1 584939370 HNNJWOHBACPYOQ-SECBINFHSA-N 251.091 -0.479 50 20 CBGD N#CC1(NC(=O)c2cccc(B(O)O)c2)CCOCC1 584947606 WFPDNSWXPHQVGC-UHFFFAOYSA-N 274.085 -0.831 50 20 CBGD C[C@H](CNC(=O)c1cc(B(O)O)ccc1F)[S@@](C)=O 584967372 UJRQMAIACXDEQJ-QOLSBQFWSA-N 287.121 -0.998 50 20 CBGD O=C(NC1(CCO)CCC1)c1cc(B(O)O)ccc1F 584967460 JZPKGNKUYHSABS-UHFFFAOYSA-N 281.092 -0.460 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H](n2cccn2)C1 584992916 SZIYCJOZROWVLO-CYBMUJFWSA-N 285.112 -0.350 50 20 CBGD C[C@@H]([C@@H](C)NCc1cccc(B(O)O)c1)N1CCOCC1 585023893 NGQGAOBOIBACRK-OLZOCXBDSA-N 292.188 -0.435 50 20 CBGD CO[C@@H]1C[C@H](NCc2ccc(B(O)O)o2)C1(C)C 585026353 MMBBDHKOMFLFMC-VHSXEESVSA-N 253.107 -0.138 50 20 CBGD C[C@@H]1C[C@@H](NCc2ccc(B(O)O)cc2F)c2ncnn21 585045999 PFOXTMMWNHNHLG-PRHODGIISA-N 290.107 -0.107 50 20 CBGD CNC(=O)c1ccc(C(=O)NNC(=O)c2cccnc2)cn1 728511766 DEALHKNOYURJEY-UHFFFAOYSA-N 299.290 -0.089 50 20 CBGD CN(C)C(=O)NNC(=O)CN(C)c1ncnc2[nH]cnc12 746001236 CCQOXSLPNYNVPO-UHFFFAOYSA-N 292.303 -0.909 50 20 CBGD C[C@H]1CN(C)CC1=NNC(=O)Cc1cc(O)nc(O)n1 752164802 CJAXEGSKIRIWNC-ZETCQYMHSA-N 279.300 -0.516 50 20 CBGD CN(C)CC(=O)NNC(=O)CC[C@@]1(C)CCC(=O)N1 753434901 OGVBXQRNYDBURF-GFCCVEGCSA-N 270.333 -0.856 50 20 CBGD C[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)n1cccn1 755270951 YOIZRFDHAUQXQI-QMMMGPOBSA-N 262.273 -0.443 50 20 CBGD C[C@@]1(CNC(=O)NNC(=O)C(=O)NC2CC2)CCCO1 756083726 FXCOLTDMAMXKFW-LBPRGKRZSA-N 284.316 -0.836 50 20 CBGD C[C@@]1(CO)CCCN1CC(=O)NNC(=O)C1CC1 759893630 OCQVDFWYHYBQDQ-LBPRGKRZSA-N 255.318 -0.609 50 20 CBGD CCOCC(=O)NNC(=S)NCC1CCN(C)CC1 760487078 SLDITDGVDNOKPP-UHFFFAOYSA-N 288.417 -0.140 50 20 CBGD COC(=O)c1ccc(S(=O)(=O)NNC(C)=O)o1 775247971 MAZWWKIZDWDICD-UHFFFAOYSA-N 262.243 -0.604 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H]1CCC[C@H]1C(=O)NC 794577431 QYXGDGZILKTJBT-IVZWLZJFSA-N 284.360 -0.563 50 20 CBGD O=C(NNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc[nH]1 794618436 OBWCZHMAQLGBQF-UHFFFAOYSA-N 264.201 -0.279 50 20 CBGD COc1cc(NC(=O)C(=O)NNC(=O)C2CCC2)ccn1 806980017 LXKWKMRIWVMOBO-UHFFFAOYSA-N 292.295 -0.024 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ncn(C)n1 811358204 NMTZBWYQXGGLDG-MRVPVSSYSA-N 297.315 -0.446 50 20 CBGD Cc1ccoc1CNC(=O)NNC(=O)C(=O)NC1CC1 813841656 RXLIKOZYLQHJIB-UHFFFAOYSA-N 280.284 -0.303 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2CCNC2=O)n1 821481441 OMHUUIYDANYEFN-ZCFIWIBFSA-N 251.246 -0.936 50 20 CBGD O=C1CC(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)=NN1 826478663 HMXBWJUQLYVKFI-UHFFFAOYSA-N 286.255 -0.814 50 20 CBGD CCO[C@H]1C[C@@H]1C(=O)NNC(=O)C1CCOCC1 828831087 ZQQXDBLDUXCFQK-UWVGGRQHSA-N 256.302 -0.015 50 20 CBGD CCO[C@@H]1CC(=NNC(=O)C(=O)NC2CC2)[C@H]1OC 841617195 VJMYFLREQVFXSZ-NXEZZACHSA-N 269.301 -0.439 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)COC[C@@H]1CCCO1 843651129 LQWIPQKAZAKCAS-DCAQKATOSA-N 286.328 -0.246 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=O)N=c1cc[nH]cc1 854377331 KZXFCVAPPBPSKH-SECBINFHSA-N 268.273 -0.682 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)[C@H]1CCCc2nn[nH]c21 854682488 BTFPCOMUKOSVNG-WCBMZHEXSA-N 293.327 -0.059 50 20 CBGD CN(NC(=O)CCn1cnc2c(N)ncnc21)C1CC1 854983896 XDGCQYMNEOEYCO-UHFFFAOYSA-N 275.316 -0.076 50 20 CBGD CCCCN(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858693841 ZWLKDLJKORHWBZ-QMMMGPOBSA-N 256.306 -0.262 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1cccnn1 861852678 IZALUDPNXOKZMG-VIFPVBQESA-N 250.258 -0.193 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H](O)c2ccccc2)N1 862454328 FMAMRORBZYXLBF-MWLCHTKSSA-N 277.280 -0.854 50 20 CBGD CC[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)N(CC)CC 862454332 FNZBSSNBHPJIPN-VHSXEESVSA-N 284.360 -0.467 50 20 CBGD CCC[C@@H](C(=O)NN=c1cc[nH]c(C)c1)S(N)(=O)=O 862513693 KRZPHOUIAMQDJI-JTQLQIEISA-N 286.357 -0.288 50 20 CBGD O=C(/C=C/CN1CCOCC1)NNc1ncc(F)cn1 867042990 FEHMVNSAOGMOMM-OWOJBTEDSA-N 281.291 -0.053 50 20 CBGD COCCOCC(=O)NNC(=O)C1=CCCCO1 869909755 IMWXDZYESNHQFE-UHFFFAOYSA-N 258.274 -0.509 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 899998906 YMMGKRVGTIHAEE-PHDIDXHHSA-N 260.319 -0.055 50 20 CBGD Cc1cccnc1NNC(=O)[C@@H]1OCCN(C)C1=O 907699041 WFODIMNIOMALFZ-VIFPVBQESA-N 264.285 -0.310 50 20 CBGD O=C1CN(CC(=O)NNc2ncc(Cl)cn2)CCN1 912825717 GDSGRQGFXAZGJD-UHFFFAOYSA-N 284.707 -0.995 50 20 CBGD CC[C@@H]1CC[C@H](C(=O)NNC(=O)CN2CCCC2=O)O1 913731262 AWSQVSNKIBEAQH-NXEZZACHSA-N 283.328 -0.286 50 20 CBGD CCOc1nc(C(=O)NNc2nccn(C)c2=O)co1 1116660982 GSKQKNPHHBODMH-UHFFFAOYSA-N 279.256 -0.076 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1cccc(CC#N)c1 1118895044 FORUEZCJBNUIDN-UHFFFAOYSA-N 295.320 -0.442 50 20 CBGD CC[C@@H]1C[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)CCO1 1261835010 FIOIRRIHBOZSMB-DTWKUNHWSA-N 292.357 -0.616 50 20 CBGD O=C(CCO)NNC(=O)Nc1cnc2c(c1)COCC2 1320566302 BWFPRJVPHIBPTK-UHFFFAOYSA-N 280.284 -0.311 50 20 CBGD COC(=O)C(=O)NN=Cc1cc(C(N)=O)cs1 1323738928 PIOVPXHIJNEFAK-UHFFFAOYSA-N 255.255 -0.530 50 20 CBGD COCC(=O)NNC(=S)NC1CCN(C)CC1 1323920096 KVNBNOUWELVEBR-UHFFFAOYSA-N 260.363 -0.778 50 20 CBGD COC(=O)c1cnc(C(=O)NN(C)C(=O)OC)cn1 1326994820 YMSSGSLXZKTPCR-UHFFFAOYSA-N 268.229 -0.394 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(Cl)nn2)N1 1335417234 JEKVXVDQMAOPOH-YFKPBYRVSA-N 283.675 -0.830 50 20 CBGD CC(C)NC(=S)NNC(=O)/C=C1/SCC(=O)N1C 1335956767 TZLDIHUABLDJHV-RUDMXATFSA-N 288.398 -0.063 50 20 CBGD CCOCCONC(=O)NNC(=O)c1cnn(C)c1 1338277498 VKJCWBZLZPWOKG-UHFFFAOYSA-N 271.277 -0.668 50 20 CBGD N#Cc1ncn(CC(=O)NNC(=O)C2CC2)c1C#N 1342653675 NWDXMFIIEMLATC-UHFFFAOYSA-N 258.241 -0.816 50 20 CBGD Cc1nc(NC(=O)C(=O)NNC(=O)CN(C)C)sc1C 1344075823 LAOCJGPZPNUOOH-UHFFFAOYSA-N 299.356 -0.593 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1ncccn1 1348412328 VUKUJCOYAXUJBX-UHFFFAOYSA-N 256.287 -0.639 50 20 CBGD CO[C@@](C)(C(=O)O)C(=O)NNc1cc(C)nc(N)n1 1593926921 PNNKPDZVUDTVGA-SNVBAGLBSA-N 269.261 -0.700 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CC[C@H]1C(=O)O 1594643982 KJJHKMRNLZGODR-RYPBNFRJSA-N 270.285 -0.330 50 20 CBGD COC1(CNC(=O)NNC(=O)C(=O)O)CCC(C)CC1 1599089560 IBLQVTANAQGHTC-UHFFFAOYSA-N 287.316 -0.003 50 20 CBGD COCCCNC(=S)N(C)NC(=O)CC(=O)O 1606871734 VXIUZFDDIIEOFU-UHFFFAOYSA-N 263.319 -0.665 50 20 CBGD O=C(NNc1cccc(C(=O)O)c1)N[C@H]1CCNC1=O 1608482621 CGHJFMXMEUTJBO-VIFPVBQESA-N 278.268 -0.101 50 20 CBGD Cn1ncc(C(=O)O)c1C=NNC(=O)c1ccc(CO)o1 1776097303 XSWJIYPOAKLSEX-UHFFFAOYSA-N 292.251 -0.033 50 20 CBGD O=C(NNC(=O)c1ccccc1[N+](=O)[O-])C(=O)NC1CC1 9889536 WYXAHUQLCFJQSI-UHFFFAOYSA-N 292.251 -0.366 50 20 CBGD CNC(=O)[C@@H](C)CN(C)S(=O)(=O)CBr 227980702 MSGWVYOTESCSIC-LURJTMIESA-N 287.179 -0.018 50 20 CBGD O=C(COCc1ccccc1)NNC(=O)[C@H]1CCC(=O)N1 265707701 ZCFCQVIQVIKWCQ-LLVKDONJSA-N 291.307 -0.371 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccnc(N2CCCC2)n1 278044590 WEVPOHTZGZOWFA-UHFFFAOYSA-N 293.327 -0.391 50 20 CBGD C=CCNC(=S)NNC(=O)C(=O)N1CCC(C)CC1 281249841 OECWWRKBPBPCHX-UHFFFAOYSA-N 284.385 -0.074 50 20 CBGD COC(=O)N(C)NC(=O)C(=O)N1CCC(C)CC1 286448675 SFLGARAVRDPYJC-UHFFFAOYSA-N 257.290 -0.026 50 20 CBGD CC(C)OCC(=O)NNC(=O)CNC(=O)c1ccco1 299638684 IHCJGDFOQOSLOP-UHFFFAOYSA-N 283.284 -0.418 50 20 CBGD CCOC(=O)NCC(=O)NNC(=O)Cc1cccnc1 491170713 LBLLTXPUWRAUJK-UHFFFAOYSA-N 280.284 -0.482 50 20 CBGD CCN(CCNC(=O)c1cc(B(O)O)ccc1F)C(C)C 584946701 YPIMSEZEKFZTPM-UHFFFAOYSA-N 296.151 -0.034 50 20 CBGD C[C@@H]1[C@H](NC(=O)c2cc(B(O)O)ccc2F)CCCN1C 584972865 IOVAVIVVMVWFNO-NOZJJQNGSA-N 294.135 -0.282 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1[C@H]2CC[C@H]1[C@@H](CO)C2 584990276 AOJRXWIWIHHNHF-NRUUGDAUSA-N 293.103 -0.509 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@H]1CCO 584997724 IHQGZNMRDUUJRZ-LBPRGKRZSA-N 263.102 -0.647 50 20 CBGD CO[C@@H]1C[C@@H](NCc2ccc(B(O)O)o2)C1(C)C 585026351 MMBBDHKOMFLFMC-NXEZZACHSA-N 253.107 -0.138 50 20 CBGD O=C(NCCCN1C(=O)CCC1=O)NNc1ncccn1 730068330 MTSDFQYUYOYHJR-UHFFFAOYSA-N 292.299 -0.358 50 20 CBGD COCCOCC(=O)NNC(=O)NCc1ccco1 733138861 IITNIMAGAKTHDH-UHFFFAOYSA-N 271.273 -0.227 50 20 CBGD O=C(CNc1ccccc1)NNC(=O)[C@H]1C[C@H]1C(=O)O 739308239 IBHOSXTUUZOCTH-VHSXEESVSA-N 277.280 -0.033 50 20 CBGD O=C(NCc1ccco1)NNC(=O)[C@H]1C[C@H]1C(=O)O 739447514 HYFCRJBCJZRWBL-JGVFFNPUSA-N 267.241 -0.169 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1COCCO1 744451771 WKYNPAQEHWYVBW-SECBINFHSA-N 266.257 -0.928 50 20 CBGD CN1CCC(C(=O)NNC(=O)N2CCOCC2)CC1 746178634 NSMOQJOTPLNUBZ-UHFFFAOYSA-N 270.333 -0.599 50 20 CBGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C1CCC1 748849151 JGMFACCQZXFIGK-SECBINFHSA-N 291.311 -0.290 50 20 CBGD CN1CCC(=NNC(=O)CNC(=O)c2cccnc2)C1=O 761827468 HGEFSYHBBAIYGH-UHFFFAOYSA-N 289.295 -0.854 50 20 CBGD N#Cc1ccccc1OCC(=O)NNC(=O)CCC(=O)O 767140639 OMDOWPCOVNFGEB-UHFFFAOYSA-N 291.263 -0.051 50 20 CBGD COc1ccnc(NNC(=O)c2cnc(C)nc2N)n1 769479040 WTTMEYVNVFKNHG-UHFFFAOYSA-N 275.272 -0.077 50 20 CBGD CSCCNC(=S)NNC(=O)[C@H](O)CCSC 770246932 KRKZIFVJJDQUTD-SSDOTTSWSA-N 297.471 -0.041 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1=COCC1 772136207 QCXBNODVTZDISK-ZETCQYMHSA-N 256.258 -0.220 50 20 CBGD COCCCNC(=O)NNC(=O)c1cncc(OC)n1 790513860 LPDWSQWNHZRZSS-UHFFFAOYSA-N 283.288 -0.534 50 20 CBGD CN(C)CCCNC(=S)NNC(=O)N=c1cc[nH]cc1 795003298 RGSLJNBPPAQUHS-UHFFFAOYSA-N 296.400 -0.044 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@H](O)c2ccccc2)CC1 808034534 WFMDRERLDPRNEO-GFCCVEGCSA-N 292.339 -0.292 50 20 CBGD CO[C@](C)(C(=O)NNC(=O)C(=O)NC(C)C)C1CC1 813378038 LXPDXVUBMWKYPZ-LBPRGKRZSA-N 271.317 -0.527 50 20 CBGD C=C[C@H](O)C(=O)OCC(=O)NNC(=O)c1cccs1 814548946 BIKVOXLIYYOSHC-ZETCQYMHSA-N 284.293 -0.401 50 20 CBGD COCCO[C@H](C)C(=O)NN=C(C)c1cnnn1C 814864496 FBFFHWZCJWEVRJ-SECBINFHSA-N 269.305 -0.293 50 20 CBGD CN(C)N(C(=O)[C@H]1C[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 823014416 PMULJYAYCYWHQS-BBBLOLIVSA-N 276.358 -0.750 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cnc2c(c1)nnn2C 823939796 PMYZXQCYGXLKSC-SSDOTTSWSA-N 264.289 -0.679 50 20 CBGD CC(=O)N1CCC[C@@H](C(=O)NN(C)[C@H](C)CO)C1 823983585 XHWYMBFUOULBGA-MWLCHTKSSA-N 257.334 -0.411 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@@](C)(C(N)=O)C1 827275505 VOHLRNSHKBFANJ-MWODSPESSA-N 298.343 -0.651 50 20 CBGD C[C@H](Oc1ccccn1)C(=O)NNC(=O)C(C)(C)O 830690049 FYLOOMIKGBOIIW-QMMMGPOBSA-N 267.285 -0.233 50 20 CBGD CO[C@H](C)CS(=O)(=O)NNC(=O)[C@@H]1CCO[C@H]1C 842589787 LCZNNAJHDGFJAK-HRDYMLBCSA-N 280.346 -0.603 50 20 CBGD Cc1n[nH]cc1S(=O)(=O)NNC(=O)[C@@H]1CCO[C@H]1C 842591395 COYDFVUWLDGBSA-JGVFFNPUSA-N 288.329 -0.547 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ccn(C)n1 843661329 NNVDPQLYZUIDQY-KOLCDFICSA-N 280.328 -0.075 50 20 CBGD COC[C@H]1C[C@@H](O)CN1S(=O)(=O)CBr 845991076 VFKNJYGLXXMZKK-RNFRBKRXSA-N 288.163 -0.250 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)C1(n2cnnn2)CC1 847114642 CZMNXQREVDOUGQ-UHFFFAOYSA-N 293.209 -0.945 50 20 CBGD CNC(=S)N(C)NC(=O)CNC(=O)NCc1ccco1 854926158 WADMHOZNGJAEAD-UHFFFAOYSA-N 299.356 -0.454 50 20 CBGD C[C@H](CC(N)=O)C(=O)NNC(=S)N[C@H](C)C1CC1 855097116 JNUSDBNAROQTBN-RNFRBKRXSA-N 272.374 -0.208 50 20 CBGD C[C@H](NC(=S)NNC(=O)C(=O)NCC1CC1)C1CC1 855100041 SZEBBNSDAGYAAW-ZETCQYMHSA-N 284.385 -0.194 50 20 CBGD O=C(CN1CCOCC1=O)NNC(=O)OCC(F)(F)F 856020443 HQXBHVDTIVVGPM-UHFFFAOYSA-N 299.205 -0.835 50 20 CBGD O=C(CN1CCOCC1)NNC(=O)c1cccc(Cl)n1 857323299 IGAORNSAKINDRV-UHFFFAOYSA-N 298.730 -0.172 50 20 CBGD C[C@@H]1COCCCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858697499 UBOMRZYDAXLANK-BDAKNGLRSA-N 284.316 -0.883 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cn(C2CC2)nn1 862095447 LSIJJLKTIYZXJL-CBAPKCEASA-N 279.300 -0.201 50 20 CBGD O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CC[C@H](B(O)O)C1 864234828 WRCSDXSXHFIMMF-QWRGUYRKSA-N 294.160 -0.147 50 20 CBGD CN(C)CCCCN(C)C(=O)c1cc(B(O)O)ccc1F 865976967 WBAIABFKEDJTPI-UHFFFAOYSA-N 296.151 -0.081 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1C[C@]12CCOC2 869908110 XAIITPFCKIVLGT-SKDRFNHKSA-N 272.301 -0.777 50 20 CBGD COC(OC)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 873752065 ZGKGDNIXJSRGPO-JTQLQIEISA-N 296.279 -0.407 50 20 CBGD Cc1cc(=NNC(=O)NCc2cnnn2C)cc[nH]1 875586436 VKTGDLUGJPHPKI-UHFFFAOYSA-N 261.289 -0.233 50 20 CBGD C#CCCCC(=O)NNC(=O)Cn1c(C)cc(C)nc1=O 887146882 OOVQKXDGPUPAPG-UHFFFAOYSA-N 290.323 -0.189 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1ncccn1 891256750 KIGCVZYIIABOBD-QMMMGPOBSA-N 250.258 -0.193 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@H]1CCNC1=O 899998841 WHGUMAYPUZJSME-LURJTMIESA-N 258.347 -0.584 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)C(C)(C)C)C1=O 900221602 UBBGGPRLSPDNOZ-ZETCQYMHSA-N 257.290 -0.963 50 20 CBGD CCOC(=O)N1CSC[C@@H]1C(=O)NNC(=O)NC 930586647 PRMQHABJXURJLV-ZCFIWIBFSA-N 276.318 -0.522 50 20 CBGD COCCC1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 1118806211 QMBJTDJRMIWGMM-VIFPVBQESA-N 298.343 -0.588 50 20 CBGD CN(C)C1(C(=O)NNc2ccc(C(N)=O)nn2)CC1 1118968132 PHVYLOHMISNPTQ-UHFFFAOYSA-N 264.289 -0.887 50 20 CBGD O=C(NN=Cc1ccccn1)[C@H]1CCS(=O)(=O)C1 1317732469 QXPYWFGJYXLOCO-VIFPVBQESA-N 267.310 -0.034 50 20 CBGD Cc1nc([N+](=O)[O-])cn1CCC(=O)NNC(=O)N(C)C 1318086580 KZACOMXQKNZRHH-UHFFFAOYSA-N 284.276 -0.208 50 20 CBGD Cn1ccnc(NNC(=O)[C@@H]2C[C@@]23CCOC3)c1=O 1320532079 QOQQMUMKRJOWMY-QPUJVOFHSA-N 264.285 -0.350 50 20 CBGD C[C@@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccn1 1328690022 TURJCPRPFNCYAN-SCZZXKLOSA-N 291.311 -0.248 50 20 CBGD O=S(=O)(C[C@@H]1CCCOC1)N1CC[C@@H](B(O)O)C1 1331894745 GCVBJUHHOTWBOU-NXEZZACHSA-N 277.151 -0.709 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc(CO)cc2)N1 1348389071 SJVCNMQOHAKYCR-SNVBAGLBSA-N 277.280 -0.782 50 20 CBGD CCC(=O)N1CC[C@@H](C(=O)NNC(=O)C2CCOCC2)C1 1354128414 MRZDGGQKXBWREM-LLVKDONJSA-N 297.355 -0.181 50 20 CBGD Cc1ccc(NCC(=O)NNC(=O)C2(O)CNC2)c(C)c1 1574156981 WHXGCHLENJCIQS-UHFFFAOYSA-N 292.339 -0.803 50 20 CBGD Cn1ncc(N)c1C(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 1580004887 JHMMBDVLFZYVMQ-BKPPORCPSA-N 279.300 -0.669 50 20 CBGD CC(C)[C@@H](CNC(=O)NNC(=O)c1ncon1)C(=O)O 1588824899 GKIDGZZEGSIXOD-ZCFIWIBFSA-N 285.260 -0.630 50 20 CBGD COC(=O)NNC(=O)[C@H]1CO[C@@H](CCC(=O)O)C1 1593858132 GKWXKJGGEDKDEW-RQJHMYQMSA-N 260.246 -0.357 50 20 CBGD O=C(NC1(C(=O)O)CCC1)c1cc(B(O)O)ccc1F 1601429555 GIVZNIWYXSBBJG-UHFFFAOYSA-N 281.048 -0.757 50 20 CBGD CC(C)[C@H](C(=O)O)C(=O)NNC(=O)c1cc[nH]n1 1602970109 LMGZCBFIBUROJW-ZETCQYMHSA-N 254.246 -0.473 50 20 CBGD C[C@H](OC(=O)/C(C#N)=C\C1CC1)C(=O)NCC(=O)O 1609792447 WYGMOYCWDHGLRS-YHESJLBYSA-N 266.253 -0.021 50 20 CBGD CC(=O)NNC(=O)c1csc(N2CCOCC2)n1 24291232 FNMKAOMJEVHJSB-UHFFFAOYSA-N 270.314 -0.239 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cccc(-n2cccn2)n1 126606447 USCFIPIQLCSQOB-UHFFFAOYSA-N 288.311 -0.410 50 20 CBGD CNc1nc(C)cc(C(=O)NNC(=O)c2cnn(C)c2)n1 287852446 FBFLNMKGFBKMAH-UHFFFAOYSA-N 289.299 -0.365 50 20 CBGD Cn1cnn(CCC(=O)NNC(=O)OC(C)(C)C)c1=O 292543359 AFZLEVPMJWEEDY-UHFFFAOYSA-N 285.304 -0.472 50 20 CBGD COC(=O)C[C@@H](C)CC(=O)NNC(=O)[C@@H]1CCCO1 295393022 RRIFSBALQVCCPH-IUCAKERBSA-N 272.301 -0.098 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@H]2C[C@@]23CCOC3)CC1 377208680 ONEBCSWVJAJKHY-ZWNOBZJWSA-N 282.344 -0.599 50 20 CBGD C[C@@H]1C[C@H](O)CN1CC(=O)NNC(=O)c1cccs1 384973969 TWLYUYSHNOGUBN-BDAKNGLRSA-N 283.353 -0.036 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1C[C@H]2CC[C@H]1O2 404972994 SPRHLTPPJHEYGB-GRYCIOLGSA-N 261.086 -0.128 50 20 CBGD CC(C)NC(=O)/C(C#N)=C\c1cn(CC(=O)O)nn1 490782201 IKQDCHLTXREOHW-BAQGIRSFSA-N 263.257 -0.206 50 20 CBGD CC(C)(C=NNC(=O)C(N)=O)NC(=O)OC(C)(C)C 497184583 NVTCEIPVXVCWCD-UHFFFAOYSA-N 272.305 -0.123 50 20 CBGD CCC(O)(CC)CNC(=O)c1ccc(B(O)O)c(F)c1 584952474 NQPUZJIBIDVQLS-UHFFFAOYSA-N 283.108 -0.214 50 20 CBGD CC(C)[C@H](CCO)NC(=O)c1ccc(B(O)O)c(F)c1 584957301 DUXVHHMDUFYMDB-LBPRGKRZSA-N 283.108 -0.358 50 20 CBGD CC[C@@](NC(=O)c1ccc(B(O)O)cc1)(C(N)=O)C1CC1 584974963 CMBOVYQQDNPNQX-AWEZNQCLSA-N 290.128 -0.860 50 20 CBGD C[C@@H](O)CCCNC(=O)c1cc(B(O)O)ccc1F 584982331 GUKMCQADYRJICL-MRVPVSSYSA-N 269.081 -0.604 50 20 CBGD O=C(N[C@@H]1CC[C@@H](F)C1)c1cccc(B(O)O)c1 584990479 XGUDGJHSQOIFSN-GHMZBOCLSA-N 251.066 -0.013 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H](O)C12CCCC2 584993015 RKDAUCYTJSNASV-CYBMUJFWSA-N 289.140 -0.114 50 20 CBGD Cc1noc(CN(C)C(=O)c2ccc(B(O)O)c(F)c2)n1 585006914 BRQHGRSKKJGWCF-UHFFFAOYSA-N 293.063 -0.531 50 20 CBGD O=C(CCNCc1cccc(B(O)O)c1)N1CCCCC1 585034735 NGNNPIMEPGWCLS-UHFFFAOYSA-N 290.172 -0.141 50 20 CBGD C[C@@]1(CS(=O)(=O)NCB(O)O)CC1(Cl)Cl 585057452 UVIZQDHWPORHMY-YFKPBYRVSA-N 275.950 -0.498 50 20 CBGD Nc1nc(N2CC[C@H](B(O)O)C2)cc(-n2cccn2)n1 585078595 HNYKXEJSZKBBPF-QMMMGPOBSA-N 274.093 -0.702 50 20 CBGD CC[C@@H](C)C(=O)NNC(=S)NCCNS(C)(=O)=O 727076039 BEWMFEDRAFYDJZ-SSDOTTSWSA-N 296.418 -0.923 50 20 CBGD CS(=O)(=O)N1CCC[C@H]1C(=O)NNC(=O)C1CCC1 732143727 DFYJYMXYBPGPCQ-VIFPVBQESA-N 289.357 -0.642 50 20 CBGD NS(=O)(=O)Cc1cccc(C(=O)NNC(=O)C2CC2)c1 749400899 PWSLKRXUMIGVIA-UHFFFAOYSA-N 297.336 -0.354 50 20 CBGD CNC(=O)NNC(=O)c1ccnc(O[C@@H]2CCOC2)c1 755141276 HOFZWHFZGCFBRO-SECBINFHSA-N 280.284 -0.177 50 20 CBGD C[C@]1(CNC(=O)NNC(=O)C(=O)N2CCCC2)CCCO1 756084653 OGTJMAGLYPKMHY-CYBMUJFWSA-N 298.343 -0.492 50 20 CBGD COc1cc(NC(=O)NNC(=O)Cc2cc[nH]n2)ncn1 757758137 CBSSPMKYJCIIIU-UHFFFAOYSA-N 291.271 -0.396 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1ccc(Cl)nn1 760154843 XEGLEZPNLCSYIR-UHFFFAOYSA-N 287.707 -0.322 50 20 CBGD CCN(C)C(=O)CNC(=O)NNC(=O)Cc1cccnc1 773273516 ORAFZNPFBIJYAR-UHFFFAOYSA-N 293.327 -0.567 50 20 CBGD COC(=O)CN(CC#N)S(=O)(=O)CBr 782450718 UNKLHAXWGRECJL-UHFFFAOYSA-N 285.119 -0.333 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1CCCN1C1CC1 787267928 RLBYBMGUCSJNEJ-NSHDSACASA-N 282.344 -0.314 50 20 CBGD CN1CCC[C@H]1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 792854539 KMCXIEJPJFNLSX-MNOVXSKESA-N 289.401 -0.427 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 798305668 ZPVFVPJBYABFEF-BDAKNGLRSA-N 284.385 -0.041 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cn[nH]c1 807369689 FTMHFYKFXNBMDE-UHFFFAOYSA-N 270.289 -0.040 50 20 CBGD CO[C@@H]1CCC[C@H](C(=O)NNC(=O)C(=O)NC(C)C)C1 814379680 VGVPRVKJBUJUKS-VHSXEESVSA-N 285.344 -0.136 50 20 CBGD COC(=O)c1ccc(C=NNC(=O)C(=O)NC(C)C)n1C 814777125 OWVBBTWHOPWNHG-UHFFFAOYSA-N 294.311 -0.214 50 20 CBGD Cc1cc(C(=O)NNC(=O)C2(CN(C)C)CC2)n[nH]1 821406321 YZTHIIUCLIWMGM-UHFFFAOYSA-N 265.317 -0.179 50 20 CBGD CC(=O)NNC(=O)c1ccc(N2CCOCC2)nc1 821700957 NHYXFJCOOLBTJG-UHFFFAOYSA-N 264.285 -0.301 50 20 CBGD O=C(NNC(=O)C1CC1)c1cc(-c2nn[nH]n2)c[nH]1 823273434 NJCANAPURVVVHS-UHFFFAOYSA-N 261.245 -0.634 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ncn(C)n1 831835171 LAVSWFFVRRJLQL-RNFRBKRXSA-N 268.277 -0.607 50 20 CBGD CN(C)CCNC(=S)NNC(=O)[C@@H]1CCCCO1 840775461 PRTWTABRSOBCHU-VIFPVBQESA-N 274.390 -0.388 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c[nH]1 843970098 BIJOIAOEXIKFDH-APPZFPTMSA-N 295.295 -0.013 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)[nH]1 843971786 RJIAKYOHLUIDRJ-HTQZYQBOSA-N 295.295 -0.013 50 20 CBGD O=C(NNc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)N1 845143732 FQXYNHXDOSBPQE-VIFPVBQESA-N 273.289 -0.040 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)c1cccc(F)n1 856422322 SMARUTYQEKMYFA-SSDOTTSWSA-N 282.275 -0.104 50 20 CBGD C[C@]1(CNC(=O)NC(CO)CO)C[C@@H]1Br 856956826 VKHMYLKZGPYSAG-IONNQARKSA-N 281.150 -0.188 50 20 CBGD CNC(=O)NNC(=O)[C@]1(C2CCCC2)CCNC1=O 858748432 SWJRHFMNPYZYSI-LBPRGKRZSA-N 268.317 -0.357 50 20 CBGD COC(=O)COCCNC(=O)NNC(=O)c1ccc(C)o1 858832402 VZPBOQDQYZSHKP-UHFFFAOYSA-N 299.283 -0.278 50 20 CBGD CN1C(=O)CN(CC(=O)NCCCSC#N)C1=O 861552084 ZIVJQEXNQUHAHG-UHFFFAOYSA-N 270.314 -0.399 50 20 CBGD C[C@@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CCC1 862462562 XSYQSDSFCHRNFI-APPZFPTMSA-N 253.302 -0.151 50 20 CBGD O=S(=O)(CCCCl)NCCn1cnnn1 882312887 HAKQEHOAZQZVCU-UHFFFAOYSA-N 253.715 -0.779 50 20 CBGD OB(O)c1cccc(CNCCO[C@H]2CCOC2)c1 897200336 UCVFNRDIJWCABZ-ZDUSSCGKSA-N 265.118 -0.739 50 20 CBGD C=CC(=O)N(CC)CC(=O)NNc1nccnc1OC 910581613 LOICJPRMWAGWDI-UHFFFAOYSA-N 279.300 -0.037 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C1(C(C)C)COC1 929444459 HQIQOKFYWPGPEY-UHFFFAOYSA-N 271.317 -0.669 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cnn(CC(C)C)c1 1116618215 MURKFNZDDPRELJ-UHFFFAOYSA-N 267.289 -0.355 50 20 CBGD COCCN(C)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1117485103 JLWARRDUBGPTEI-OUKQBFOZSA-N 296.327 -0.488 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cc(C(C)C)on1 1320230949 CDHGSUZVXSAJNH-UHFFFAOYSA-N 254.246 -0.096 50 20 CBGD C=CCNC(=S)NNC(=O)CO[C@H]1CCOC1 1321298375 ATOMPYHXBMJQNT-QMMMGPOBSA-N 259.331 -0.527 50 20 CBGD Cn1c(=O)c2cc(NC(=O)CCl)cnc2n(C)c1=O 1323268419 CIELGDHVJZXTNE-UHFFFAOYSA-N 282.687 -0.191 50 20 CBGD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NNc1ncc(F)cn1 1325051082 ODYOPTQKKIDXGQ-MUWHJKNJSA-N 297.290 -0.666 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1ccc2nonc2c1 1326498205 YEKQSORQTRYMKY-UHFFFAOYSA-N 291.267 -0.091 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1ccc2nc(C)nn2c1 1329981576 VLPLEHSZKKSGTA-UHFFFAOYSA-N 290.283 -0.466 50 20 CBGD N#CC1=CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1433872430 DYWBMXYWAKDUQQ-UHFFFAOYSA-N 285.263 -0.497 50 20 CBGD CO[C@H]1CN[C@](C)(C(=O)NNC(=O)NCC2CC2)C1 1573962151 XJQIHYZFZNVFDB-SKDRFNHKSA-N 270.333 -0.506 50 20 CBGD CC(=O)Nc1cc(F)ccc1C(=O)NNC(=O)[C@@H]1CCN1 1575019601 WZLOKZWABDZVKY-JTQLQIEISA-N 294.286 -0.093 50 20 CBGD N[C@H](CC(=O)NNC(=O)c1ncccn1)C(F)F 1580121412 VNBGZGLIFGIZSE-RXMQYKEDSA-N 259.216 -0.780 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)CC1(O)CCNCC1 1580573337 HKUPQCBXUIOSEM-UHFFFAOYSA-N 292.339 -0.724 50 20 CBGD OB(O)[C@H]1CCN(c2ncc(-c3nn[nH]n3)cc2Cl)C1 1593497471 AHVUCJHMDDZQCX-ZETCQYMHSA-N 294.511 -0.032 50 20 CBGD CCOC[C@H](C(=O)O)N(C)CC(=O)NNC(=O)C(C)C 1596877028 HLCTVUBBUIPHQS-SECBINFHSA-N 289.332 -0.789 50 20 CBGD O=C(NCCc1nc2c(s1)CCC2)NNC(=O)C(=O)O 1601515029 XNHBVOMITBTZMN-UHFFFAOYSA-N 298.324 -0.411 50 20 CBGD O=C(O)Cc1occc1C(=O)NNC(=O)[C@@H]1COCCO1 1602155574 VKGVMOLODRSXHH-VIFPVBQESA-N 298.251 -0.917 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCCC(=O)O 1604834287 JEUSBZCUXGTPMN-HTQZYQBOSA-N 273.289 -0.393 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H](C(=O)O)C1CCCC1 1605708427 BBLMBZOWIDGBAU-LLVKDONJSA-N 294.311 -0.009 50 20 CBGD NC(=O)CCCC(=O)NNc1ccc(C(=O)O)cn1 1610637241 ODJBUOGGISYEMJ-UHFFFAOYSA-N 266.257 -0.122 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)NC(C)C 49477031 YDDXVQXWXBLCOI-SSDOTTSWSA-N 259.310 -0.438 50 20 CBGD Cn1c(=O)ccn(CC(=O)NNc2ccncc2)c1=O 180517476 UMYSLVSDNQOUIM-UHFFFAOYSA-N 275.268 -0.915 50 20 CBGD COC(=O)NNS(=O)(=O)c1c[nH]c(C(=O)OC)c1 266425609 JPBHHYVLITXHOC-UHFFFAOYSA-N 277.258 -0.649 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCCC(=O)N1 270321692 KOBYNYAAEYQSDI-VIFPVBQESA-N 298.343 -0.893 50 20 CBGD CC(C)CCC(=O)NCC(=O)NNC(=O)C(C)(C)O 276185474 DBAZFPZZPWDSPR-UHFFFAOYSA-N 273.333 -0.543 50 20 CBGD CNC(=O)NNC(=O)[C@@H](CC1CCC1)NC(C)=O 278462539 PFXNWVVRCNVEHQ-SECBINFHSA-N 256.306 -0.359 50 20 CBGD CC(=O)NNC(=O)CN1CCc2ccccc2C1=O 278644607 CEZMZGUIBFYGQZ-UHFFFAOYSA-N 261.281 -0.148 50 20 CBGD COC(=O)N(C)NC(=O)[C@](C)(O)Cn1ccc(C)cc1=O 286302484 JYVIYBWSIUNYEI-CYBMUJFWSA-N 297.311 -0.363 50 20 CBGD COC(=O)C[C@@H](C)CC(=O)NNC(=O)c1cnn(C)c1 290079338 ISARFLUCRRWBJO-QMMMGPOBSA-N 282.300 -0.230 50 20 CBGD COc1cc(C)nc(NNC(=O)N[C@H]2COC[C@@H]2OC)n1 290867059 FGJANUAITLNBDZ-IUCAKERBSA-N 297.315 -0.166 50 20 CBGD COC(=O)NCC(=O)NNC(=O)c1ccccc1O 491142570 UWIDHRYPRIYLSL-UHFFFAOYSA-N 267.241 -0.491 50 20 CBGD Cn1nccc1C(=O)NNC(=O)CNC(=O)OC(C)(C)C 494450587 FFLSJOJZZPYWMS-UHFFFAOYSA-N 297.315 -0.294 50 20 CBGD C[C@H](NC(=O)c1cc(B(O)O)ccc1F)c1nncn1C 584930949 VELSQIPCESMSNN-ZETCQYMHSA-N 292.079 -0.875 50 20 CBGD Cc1nnc([C@H](C)NC(=O)c2cccc(B(O)O)c2)o1 584957933 KRMARCVLPNFCKG-ZETCQYMHSA-N 275.073 -0.451 50 20 CBGD CN(C[C@H]1CCC[C@H]1O)C(=O)c1cccc(B(O)O)c1 584966490 BENQXDUGAFTNOZ-DGCLKSJQSA-N 277.129 -0.401 50 20 CBGD C[C@@]1(O)CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584969500 MRLCZPJVZIVOMD-CYBMUJFWSA-N 263.102 -0.647 50 20 CBGD O=C(NC[C@H]1CC[C@H](O)C1)c1ccc(B(O)O)c(F)c1 584980138 RLBCURKKGKSMEW-WPRPVWTQSA-N 281.092 -0.604 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2[C@H](C1)C2(F)F 585004941 SBNBCFDTXBXLNM-AOOOYVTPSA-N 267.040 -0.297 50 20 CBGD O=S(=O)(CCC1CCOCC1)N1CC[C@@H](B(O)O)C1 585056561 QYPFVSBMPDKZFD-LLVKDONJSA-N 291.178 -0.318 50 20 CBGD O=S(=O)(NCB(O)O)c1cc(C(F)(F)F)ccc1O 585059419 MUTZKXKDKNTYBO-UHFFFAOYSA-N 299.035 -0.299 50 20 CBGD C[C@@H](NC(=O)c1cccs1)C(=O)N1CC[C@H](B(O)O)C1 585068542 DHXJAKCPUIGOLE-BDAKNGLRSA-N 296.157 -0.058 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)COc2ccccc2F)CC1 731597167 AQDWOWNBTXXYAR-UHFFFAOYSA-N 295.270 -0.383 50 20 CBGD CC(=O)NNC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 732258358 LAFLTDMYCXLPKM-UHFFFAOYSA-N 287.279 -0.248 50 20 CBGD CN(CC(=O)NNC(=O)c1cccnc1)C(=O)C1CC1 733123274 GARBSBVCCANVDM-UHFFFAOYSA-N 276.296 -0.289 50 20 CBGD CC(C)[C@H](C)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 733138107 DJNJMKGWBIBILY-DTWKUNHWSA-N 291.373 -0.204 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](OCCO)C1 734485539 MFYGAOJZDXHKRX-WDEREUQCSA-N 287.360 -0.594 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@H](C(=O)O)C1 736401694 KSNYGIYNVGZKAH-UWVGGRQHSA-N 285.344 -0.025 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=O)COCc1ccccc1 737629206 LMXXKDSFVRASQD-SNVBAGLBSA-N 293.323 -0.125 50 20 CBGD CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCOC1 741758350 DPQMFECGMWEJIF-VHSXEESVSA-N 274.342 -0.050 50 20 CBGD COC(=O)CN(CC#N)[C@H](C)C(=O)NNC(=O)CC(C)C 746454569 DEYSLIQMDBSJLF-SNVBAGLBSA-N 298.343 -0.433 50 20 CBGD CCCCNC(=O)NNC(=O)C1(C(N)=O)CCC1 747906792 AZQXDDULPXUKCB-UHFFFAOYSA-N 256.306 -0.228 50 20 CBGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CO 753437312 IDSGKFNEZPGWAQ-SSDOTTSWSA-N 256.233 -0.267 50 20 CBGD Cc1cc(OCC(=O)NNC(=O)c2ccnnc2)no1 756755048 LRXIRGXXERUZNP-UHFFFAOYSA-N 277.240 -0.387 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CC1CCC1 758038363 CZIPVFJFKMMHOE-SSDOTTSWSA-N 277.346 -0.738 50 20 CBGD CC(=O)NNC(=O)Nc1ccc(-n2cnnn2)cc1 765113171 TWKLUTISCCFAJL-UHFFFAOYSA-N 261.245 -0.165 50 20 CBGD CCC[C@H]1C(=O)NCCN1CC(=O)NNC(=O)C(C)(C)C 766257919 YNQJVNVBLZDCLB-JTQLQIEISA-N 298.387 -0.220 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN[C@@H](CO)C1CC1 771815495 VNRREJZFKWMNMX-VIFPVBQESA-N 257.334 -0.460 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)c2ccccn2)C1=O 771837557 FEPMEEUUVCDQPV-QMMMGPOBSA-N 262.269 -0.679 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(C(=O)OC)CC1 772349725 GBYDHSDRHOYWCS-ZETCQYMHSA-N 286.284 -0.571 50 20 CBGD CN(NC(=O)Cn1c(=O)nc(O)c2ccccc21)C(N)=O 782124737 QVHLCARYNOQSKI-UHFFFAOYSA-N 291.267 -0.856 50 20 CBGD CCOCC(=O)NNC(=O)NCC1(N(C)C)CCC1 783004464 ASBKCCDHCDSWPV-UHFFFAOYSA-N 272.349 -0.162 50 20 CBGD C[C@@H](OC(=O)/C(C#N)=C/C1CC1)C(=O)NC(N)=O 786678924 IOYOLDFGCAYQSQ-LDHBFYIBSA-N 251.242 -0.027 50 20 CBGD CCNC(=O)CNC(=O)NNc1ccc(F)cn1 787750794 RARDIXCHMHQUTD-UHFFFAOYSA-N 255.253 -0.017 50 20 CBGD CCOCCC=NNC(=O)[C@@H](C)NS(C)(=O)=O 788427411 MVYGYWUELGWGIG-MRVPVSSYSA-N 265.335 -0.547 50 20 CBGD Cn1cc(C(=O)CCC(=O)NNC(=O)C(C)(C)O)cn1 793925608 PJEPMTBYSXMQEB-UHFFFAOYSA-N 282.300 -0.699 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H](C(=O)OC)C1CC1 794565806 IVELAAGPIIQYPQ-OIBJUYFYSA-N 271.317 -0.527 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)CCC(N)=O 796596827 YUVHPRCUOXRBCB-SECBINFHSA-N 272.349 -0.624 50 20 CBGD COCCN(C)NC(=O)CCCS(C)(=O)=O 808074140 ZHRLWARJHIKWOT-UHFFFAOYSA-N 252.336 -0.579 50 20 CBGD COc1cccc([S@@](=O)CC(=O)NNC(C)=O)c1 818999636 UOOZPVXIHBKYKU-SFHVURJKSA-N 270.310 -0.030 50 20 CBGD CCOC(=O)N1CSC[C@H]1C(=O)NN(CC)CCO 823376420 FCQGKSWFOVXPMQ-VIFPVBQESA-N 291.373 -0.137 50 20 CBGD CCN(CCO)NC(=O)c1ccc(C(=O)OC)n1C 823889413 VSECWHQMMRIHGG-UHFFFAOYSA-N 269.301 -0.229 50 20 CBGD Cc1nn(C)c(C)c1OCC(=O)NN(C)[C@H](C)CO 823945965 BBXBOXQXOCJQBP-MRVPVSSYSA-N 270.333 -0.240 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=O)NC1CCCC1 824342125 CWOPEJLMOUGHLY-SECBINFHSA-N 259.306 -0.079 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN(CC(=O)O)C1CC1 826134828 BTTJVSFHRTWXAG-UHFFFAOYSA-N 271.317 -0.271 50 20 CBGD NCCOCC(=O)NNc1ncc(Br)cn1 848436040 DMJUTFIEDICHKZ-UHFFFAOYSA-N 290.121 -0.343 50 20 CBGD CO[C@H](C)CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 852393699 HTHQTZLVBQBAFO-HRDYMLBCSA-N 259.306 -0.223 50 20 CBGD COCCCNC(=S)N(C)NC(=O)c1ccnn1C 854281300 SVVQHNLTARWESB-UHFFFAOYSA-N 285.373 -0.092 50 20 CBGD CC(C)(C)[C@H](NC(N)=O)C(=O)NNC(=O)c1cc[nH]n1 855355654 CTHOALXWGZXGKT-SSDOTTSWSA-N 282.304 -0.746 50 20 CBGD Cn1cc(N2C[C@H](C(=O)NNC(=O)C3CC3)CC2=O)cn1 858121365 CYALIHDEXKNREY-SECBINFHSA-N 291.311 -0.670 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)c2cn[nH]c2)CCC1 862472022 SHWNHPJQUASPBF-UHFFFAOYSA-N 265.273 -0.913 50 20 CBGD COCCOCC(=O)NNC(=O)c1cc(F)c[nH]1 869904476 ZGWIPFKSMSZHAT-UHFFFAOYSA-N 259.237 -0.422 50 20 CBGD O=C1C[C@H](C(F)(F)F)[C@@H](C(=O)NNC(=O)C2CC2)CN1 873750608 JAPZVDPEVYAPFP-BQBZGAKWSA-N 293.245 -0.142 50 20 CBGD CN(C)CC(=O)NNC(=O)C[C@H]1NC(=O)c2ccccc21 896129708 WPZMNQVUWSXXNY-LLVKDONJSA-N 290.323 -0.430 50 20 CBGD CN1CCO[C@H](C(=O)NNc2cccc(C#N)c2)C1=O 901162272 MAPVMPMGOCIXDD-LLVKDONJSA-N 274.280 -0.141 50 20 CBGD CCn1ccnc1C(=O)NNC(=O)CN1CCCC1=O 913732698 GTAQTTMNBPACJD-UHFFFAOYSA-N 279.300 -0.714 50 20 CBGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1cnn(C)c1 920829404 OIFGGCLREMMEQI-JTQLQIEISA-N 299.356 -0.370 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H]1CC(=O)N(CCOC)C1 921039551 RCZLRFQRSPRJMM-SECBINFHSA-N 286.332 -0.778 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@H]1CO 934017597 PMEDMRVOVPOBBK-ZJUUUORDSA-N 257.334 -0.365 50 20 CBGD C[C@@H](NC(=O)NNc1ncccn1)[C@@H]1CN(C)CCN1C 1123794873 OGMZBQZAGGTCDJ-MNOVXSKESA-N 293.375 -0.263 50 20 CBGD O=C(NC[C@@H]1CCSC1)NNC(=O)C(=O)NC1CC1 1320991024 SRHFZGAFEFTJTC-ZETCQYMHSA-N 286.357 -0.652 50 20 CBGD Cn1cnc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)n1 1323878638 DWPVSGIYEGZHOF-UHFFFAOYSA-N 289.299 -0.508 50 20 CBGD CC(=NNC(=O)C(=O)NC1CC1)c1cc(CO)on1 1324014265 KTGWHBJZTFEZPN-UHFFFAOYSA-N 266.257 -0.714 50 20 CBGD COc1cc(NC(=O)C(=O)NNC(=O)CC2CC2)ncn1 1325515428 GAOIXQLVDAVLSG-UHFFFAOYSA-N 293.283 -0.629 50 20 CBGD CC1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCOCC1 1336171528 PEWLAGHWXUILEG-VIFPVBQESA-N 298.343 -0.588 50 20 CBGD O=C(CCc1ccccn1)NNC(=O)[C@@H]1CCC(=O)N1 1348479169 QXUJAJIABHPJCG-JTQLQIEISA-N 276.296 -0.560 50 20 CBGD CC(=O)NNC(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 1575014333 CFAWRXGGMOFNNN-JTQLQIEISA-N 276.296 -0.321 50 20 CBGD Cc1cc(=NNC(=O)[C@@]23CNC[C@@H]2CCO3)cc[nH]1 1579637741 ACFDMOAUYDFKJP-GXFFZTMASA-N 262.313 -0.366 50 20 CBGD Cn1cnc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)n1 1592586664 AAGDFZGKRHTISL-UHFFFAOYSA-N 286.259 -0.853 50 20 CBGD O=C1CC(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)C1 1593381667 NCTZOLBOQBKFST-UHFFFAOYSA-N 273.256 -0.316 50 20 CBGD O=C(O)CCCCNC(=O)NNC(=O)[C@H]1CCCO1 1595043190 PFMXORAFEZJADK-MRVPVSSYSA-N 273.289 -0.249 50 20 CBGD O=C(O)c1cccc(CNC(=O)c2cccc(B(O)O)c2)c1 1595244541 WMPPQMPXBALHEO-UHFFFAOYSA-N 299.091 -0.005 50 20 CBGD O=C(NNC(=O)c1cnsn1)N[C@H]1C[C@H](C(=O)O)C1 1601557886 YWFXFSKREWXYNB-URHBZAFASA-N 285.285 -0.655 50 20 CBGD O=C(O)CC1(NC(=O)c2cccc(B(O)O)c2)CC1 1601931384 KDFWZVXXGBDRQS-UHFFFAOYSA-N 263.058 -0.897 50 20 CBGD O=C(O)[C@@H]1C[C@@H](O)CN1CCI 1602191748 FYOOZZGSINNNOQ-RITPCOANSA-N 285.081 -0.059 50 20 CBGD CN(CCNS(=O)(=O)CBr)CC(=O)O 1606132658 AJIGMMDQIVXVFM-UHFFFAOYSA-N 289.151 -0.725 50 20 CBGD CC(=NNC(=O)NCC(=O)O)c1nccnc1C 1609553068 BFVLBCQIKSQJNR-UHFFFAOYSA-N 251.246 -0.107 50 20 CBGD Cc1cc(C)n2nc(C(=O)NNC(=O)C3CC3)nc2n1 42137440 VVJZEDPILOPDSP-UHFFFAOYSA-N 274.284 -0.088 50 20 CBGD CC(C)n1ccc(C(=O)NNC(=O)CN(C)C)n1 265080248 QDFMWLKRKIYGRE-UHFFFAOYSA-N 253.306 -0.213 50 20 CBGD CC[C@@H](C(=O)NNC(=O)c1cnn(C)c1)C(=O)OC 276644562 MZECRHREOVABSZ-QMMMGPOBSA-N 268.273 -0.620 50 20 CBGD CCN(C(=O)c1cccc(B(O)O)c1)[C@H](C)COC 584931802 ACEYVDHHHZRUBR-SNVBAGLBSA-N 265.118 -0.137 50 20 CBGD CC[C@H](C)[C@](C)(O)CNC(=O)c1ccc(B(O)O)cc1 584951076 IBBSQCHXOOBSKR-IINYFYTJSA-N 279.145 -0.107 50 20 CBGD C[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)CC[C@H]1O 584975100 SUUMFJIQWSPQNZ-BXKDBHETSA-N 263.102 -0.791 50 20 CBGD C[C@H](NCc1ccccc1B(O)O)[C@@H](C)n1cncn1 585019556 CRFLRZONQFGMTA-WDEREUQCSA-N 274.133 -0.303 50 20 CBGD COCCOCCCCNCc1ccc(B(O)O)o1 585020668 FSJPEKSXLBIVHR-UHFFFAOYSA-N 271.122 -0.508 50 20 CBGD C[C@@H](C[S@](C)=O)NCc1cccc(B(O)O)c1 585035509 VHYUTMAGYCCZAE-XYZCENFISA-N 255.148 -0.777 50 20 CBGD CO[C@H](CNCc1ccc(B(O)O)cc1F)[C@H]1CCOC1 585046585 WPGMPJFYSYXSNL-SMDDNHRTSA-N 297.135 -0.353 50 20 CBGD CNC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1C(C)=O 729341779 SONRKQSJBFWTOS-GFCCVEGCSA-N 290.323 -0.080 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)NC2CCCCC2)CC1 731597411 QXHKSWZTWIVZHH-UHFFFAOYSA-N 268.317 -0.085 50 20 CBGD O=C(O)CSCC(=O)NNC(=O)NCc1ccco1 740485322 LSXSOZGOPXQKOS-UHFFFAOYSA-N 287.297 -0.072 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)CCn2cncn2)n1 753454251 QGPKMLJIGKNWRX-UHFFFAOYSA-N 282.695 -0.163 50 20 CBGD NC(=O)c1csc(C=NNC(=O)C(=O)N2CCCC2)c1 755889558 MKPBFQGRHXWHRK-UHFFFAOYSA-N 294.336 -0.081 50 20 CBGD COCC(=O)N(C)CC(=O)NNC(=O)CC(F)(F)F 760138941 ODSIVRJTCKLLAF-UHFFFAOYSA-N 285.222 -0.809 50 20 CBGD CN(C)CC(=O)NNC(=O)CCCCc1cnn[nH]1 768706983 OLBYEWKEZNOJHS-UHFFFAOYSA-N 268.321 -0.774 50 20 CBGD COc1ccnc(NNC(=O)[C@@H](O)c2cnn(C)c2)n1 773775899 CBCMPTJBOTWSCY-VIFPVBQESA-N 278.272 -0.605 50 20 CBGD CC(C)C(=O)N1CCCC[C@@H]1C(=O)NNC(=O)CO 777781660 GIVUZQMLHZUQHI-SECBINFHSA-N 271.317 -0.837 50 20 CBGD CN(C)c1noc(CCC(=O)NNC(=O)NCC2CC2)n1 779750132 SQUKCHQCCGZYEW-UHFFFAOYSA-N 296.331 -0.191 50 20 CBGD C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)C(=O)N1CCCC1 793304911 PNZJUWOAYASUBR-UWVGGRQHSA-N 295.339 -0.239 50 20 CBGD Cn1nncc1NC(=O)NNC(=O)CC(F)(F)F 809904240 VLHIDJSJKKEURI-UHFFFAOYSA-N 266.183 -0.080 50 20 CBGD C=C[C@@H](O)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C 814543170 DQTZBVOMUKMGDV-RKDXNWHRSA-N 272.301 -0.342 50 20 CBGD O=C(NCCc1ccoc1)NNC(=O)C(=O)N1CCCC1 822261777 FVXNISYFEQMBSW-UHFFFAOYSA-N 294.311 -0.225 50 20 CBGD CCN(CCO)NC(=O)[C@]1(C)CCN(C(C)=O)C1 823864696 ALAOBFPRMKATIG-GFCCVEGCSA-N 257.334 -0.410 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CCc2c[nH]nc2C1 823865155 KZDVOMUGLPZVDC-VIFPVBQESA-N 252.318 -0.140 50 20 CBGD CC1=C(C(=O)NN(C)[C@@H](C)CO)S(=O)(=O)CCO1 823946976 QJMABBRYPYKYOV-ZETCQYMHSA-N 278.330 -0.993 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 823977522 YTOPPJGVTQCHFF-RKDXNWHRSA-N 255.318 -0.659 50 20 CBGD O=C(NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC1CC1 826445422 UANXXWLLPANXBT-UHFFFAOYSA-N 276.260 -0.699 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccncn1 843655987 LQZGPXOACUMTNE-JGVFFNPUSA-N 250.258 -0.337 50 20 CBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)NCC(F)(F)F 847114618 CMQDFMWFEUSPKU-ZCFIWIBFSA-N 282.222 -0.500 50 20 CBGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1cnc[nH]1 853292039 NVCPQAJQDJZELG-QMMMGPOBSA-N 285.329 -0.380 50 20 CBGD CNC(=S)N(C)NC(=O)C(=O)N1CCC[C@H](C)C1 854922200 ANVRQGBQRWUANF-QMMMGPOBSA-N 272.374 -0.288 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCN1C1CC1)c1cc[nH]n1 855356213 IXDCNTSAKOJIQG-JTQLQIEISA-N 263.301 -0.203 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(F)c1 862449375 NZSZUCKWMIBABJ-SNVBAGLBSA-N 295.270 -0.126 50 20 CBGD CCc1ncc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 862452686 GXGLZSUOZQSIEL-ZCFIWIBFSA-N 282.325 -0.255 50 20 CBGD CC(=O)OC1CCN(C(=O)c2cccc(B(O)O)c2)CC1 863878041 NBWUSYGCIBDKOH-UHFFFAOYSA-N 291.112 -0.466 50 20 CBGD O=C(/C=C\CN1CCOCC1)NNC(=O)c1ncccn1 868894602 SFSIDHDARLWVFK-IWQZZHSRSA-N 291.311 -0.874 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@H]1CCCCO1 869910080 NNQSCIXZVJACMW-SNVBAGLBSA-N 274.317 -0.244 50 20 CBGD CCc1nn(C)cc1S(=O)(=O)NN(C)C(=O)OC 882184728 SGPVPYVQFNBMFY-UHFFFAOYSA-N 276.318 -0.126 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H]1NC(=O)O[C@H]1C 887148125 OWKKWVREDPDHIR-IONNQARKSA-N 253.258 -0.566 50 20 CBGD C[C@@H](NC(=S)NNC(=O)CCC(N)=O)C1CC1 912161176 QKCWRHGJDJYBEY-ZCFIWIBFSA-N 258.347 -0.454 50 20 CBGD COc1cccc(C(=O)NNC(=O)[C@H](C)NC(C)=O)c1O 919757069 VTIFAJVYKRZYRD-ZETCQYMHSA-N 295.295 -0.314 50 20 CBGD Cn1cc(C(=O)NN=C2CCS(=O)(=O)CC2)cn1 1117703962 LSMSZPWKVYNLSQ-UHFFFAOYSA-N 270.314 -0.286 50 20 CBGD CC(C)NC(=S)NNC(=O)c1cn(C)c(=O)n1C 1262154070 VOZSPLWJUSSDMD-UHFFFAOYSA-N 271.346 -0.759 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)NC[C@H]1COCCO1 1318268220 XKXBKPNLTNXKPV-NSHDSACASA-N 294.311 -0.630 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)c(O)n1 1320349209 WUYPIHXZIAWYBI-UHFFFAOYSA-N 278.268 -0.408 50 20 CBGD O=C(NN=CC[C@@H]1CCOC1)N[C@H]1CCS(=O)(=O)C1 1320399783 VPBHHRSDNAJWCB-ZJUUUORDSA-N 289.357 -0.115 50 20 CBGD CNC(=O)CCCCC(=O)NNC(=O)c1cnn(C)c1 1320622943 PDYRFRACLMHLKY-UHFFFAOYSA-N 281.316 -0.513 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1ccnn1COC 1321548265 FMAZMWVXPVHJMY-UHFFFAOYSA-N 291.333 -0.658 50 20 CBGD Cc1cc(C=NNC(=O)C(N)=O)ccc1-n1cncn1 1323267881 CJIGQHBXQWKYBP-UHFFFAOYSA-N 272.268 -0.489 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cncc(F)c1 1327030881 ZONQXXJTNOMMGB-UHFFFAOYSA-N 283.263 -0.148 50 20 CBGD O=C(NC[C@@H]1COCCO1)NNC(=O)c1cccc(F)n1 1327524808 KASYFACKDXNSTD-MRVPVSSYSA-N 298.274 -0.420 50 20 CBGD O=C(/C=C\[C@H]1CCOC1)NNC(=O)CN1CCCC1=O 1332229118 QXHKJHYEJSLYIF-XOULXFPDSA-N 281.312 -0.651 50 20 CBGD COc1cc(CCC(=O)NNc2nnc(C)c(O)n2)on1 1334647583 TWUZKGSOGFWWFG-UHFFFAOYSA-N 294.271 -0.042 50 20 CBGD O=C(Cc1ccccc1CO)NNC(=O)[C@H]1CCC(=O)N1 1335330298 SKVTUKXUJWRZGB-LLVKDONJSA-N 291.307 -0.853 50 20 CBGD O=C(Cc1ccsc1)NNC(=O)N[C@@H]1CNOC1 1335662018 OZGLZKXGTNQNRF-MRVPVSSYSA-N 270.314 -0.476 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@@H](CO)CC(F)(F)F 1348121796 ANRLROMBZKTBPG-ZCFIWIBFSA-N 295.221 -0.333 50 20 CBGD CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1cn(C)nn1 1549314512 LQWVOEDMSYKFQV-CMPLNLGQSA-N 292.343 -0.482 50 20 CBGD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)NNC(=O)C1(N)CC1 1575184508 VFQCJAQJWYENQU-QMMMGPOBSA-N 298.343 -0.366 50 20 CBGD Cn1ccnc(NNC(=O)[C@@]23CCC[C@@H]2NCC3)c1=O 1579977979 YSJPJEVXMOAZFN-TVQRCGJNSA-N 277.328 -0.244 50 20 CBGD O=C(NC[C@@H]1[C@H]2CNC[C@H]21)NNC(=O)C1CCOCC1 1580642076 NLTBBHATTYICOD-URLYPYJESA-N 282.344 -0.791 50 20 CBGD C=C[C@H](NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)O 1588700071 DEVREROPRFXKBV-JTQLQIEISA-N 288.267 -0.464 50 20 CBGD C[C@@H](CC=NNC(=O)CN1CCCC1=O)C(=O)O 1592464588 VENMZVOGRWIUKE-QMMMGPOBSA-N 255.274 -0.178 50 20 CBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1ccc(C(=O)O)cn1 1594632672 PWIYHJANNSXBKB-YLWLKBPMSA-N 280.240 -0.280 50 20 CBGD O=C(O)COCC(=O)NNc1ncc(Cl)cn1 1595106931 CUHNFJQBHSPAJW-UHFFFAOYSA-N 260.637 -0.326 50 20 CBGD O=C(CN[C@@H](C[C@@H]1CCCO1)C(=O)O)NNC(=O)C1CC1 1601326975 ZIIXQXWUNSNJAT-UWVGGRQHSA-N 299.327 -0.844 50 20 CBGD O=C(Cn1cc(C(=O)O)nn1)NNC(=O)[C@H]1CCCS1 1601381721 DAXOVSOOUVZUDZ-SSDOTTSWSA-N 299.312 -0.981 50 20 CBGD CCc1cnccc1CNC(=O)NNC(=O)C(=O)O 1605841368 MTSWKTHFKRKEGX-UHFFFAOYSA-N 266.257 -0.441 50 20 CBGD CC(C)=CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 48952839 UUOLAFRHROWFQE-MRVPVSSYSA-N 275.330 -0.530 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)COc1ccc(C)cc1 270498975 MBQIGLMHENAHQA-UHFFFAOYSA-N 294.311 -0.550 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)C[C@@H]1O 388064663 QPMCDJFAZBSGEX-JQWIXIFHSA-N 277.324 -0.240 50 20 CBGD O=C(CCOC[C@H]1CCCO1)Nc1cccc(B(O)O)c1 584910847 RLIJMIWFAQTJBB-CYBMUJFWSA-N 293.128 -0.109 50 20 CBGD C[C@@H](CN1CCCC1=O)NC(=O)c1cccc(B(O)O)c1 584935505 MSIROOYTKGFOMC-JTQLQIEISA-N 290.128 -0.893 50 20 CBGD C[C@H](CNC(=O)c1cccc(B(O)O)c1)N(C)C1CC1 584939940 OKTUKIXDISXNPZ-SNVBAGLBSA-N 276.145 -0.421 50 20 CBGD C[C@@H]1CN(C)C[C@H]1NC(=O)c1cc(B(O)O)ccc1F 584957912 KGKKTVGJMWMJJH-PRHODGIISA-N 280.108 -0.815 50 20 CBGD C[C@@H]1CC[C@@H](CO)CN1C(=O)c1ccc(B(O)O)cc1 584968425 XEZHREHLRNPEMC-GHMZBOCLSA-N 277.129 -0.401 50 20 CBGD OB(O)c1ccc(CNc2ccn(CC(F)F)n2)cc1 585031284 TYKAIXOBCWNKGM-UHFFFAOYSA-N 281.071 0.440 50 20 CBGD O=C1C[C@@H](c2nc(-c3cccc(B(O)O)c3)no2)CCN1 585053009 DZDYGYVQTTVFDK-VIFPVBQESA-N 287.084 -0.590 50 20 CBGD O=C(NCB(O)O)c1nnn(-c2ccccc2)c1C(F)F 585063332 XTTBDJSLAAAQIJ-UHFFFAOYSA-N 296.042 -0.053 50 20 CBGD Cc1ccc2c(O)c(C(=O)NCB(O)O)cnc2n1 585073318 XAVIRVDALVVBBI-UHFFFAOYSA-N 261.046 -0.614 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H]1C[C@@H]1C(=O)OC 727373694 MODUKVNMLAJNGM-SFYZADRCSA-N 257.290 -0.074 50 20 CBGD O=C(CN1CCN(C2CCC2)CC1)NNC(=O)C1CC1 734152190 RLVRDUIJZHSXCV-UHFFFAOYSA-N 280.372 -0.286 50 20 CBGD CC(C)C(=O)NNC(=O)c1cccc(CS(N)(=O)=O)c1 749720362 ZLHBGPCRKNPMPT-UHFFFAOYSA-N 299.352 -0.108 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H](C)N(C)C)n1 750015091 QCPOAQSBKVUFOF-JTQLQIEISA-N 267.333 -0.403 50 20 CBGD CCC[C@@H](O)CC(=O)NNC(=O)N1CCOCC1 750263449 SXXFXLAKEZRPGS-SECBINFHSA-N 259.306 -0.390 50 20 CBGD C#CCOCCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 753381297 KOILNEGAEGWRQL-LLVKDONJSA-N 289.357 -0.983 50 20 CBGD O=C(CC(=O)NNc1cnccn1)NCC(F)(F)F 775280388 BUOBNSWCONSTEF-UHFFFAOYSA-N 277.206 -0.012 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H](C)S(C)(=O)=O 780708049 DWKNOKYKIPTNFV-ZCFIWIBFSA-N 251.308 -0.888 50 20 CBGD Cn1cc(C(=O)NNC(=O)NC[C@@H]2COC(C)(C)O2)cn1 783284911 CBBMWDYNYHLEQK-SECBINFHSA-N 297.315 -0.484 50 20 CBGD CCNC(=O)NNC(=O)[C@H](O)Cc1cccc(OC)c1 785409445 BMHFXFWMNAXNSG-LLVKDONJSA-N 281.312 -0.051 50 20 CBGD Cn1nnc(CNC(=O)NNc2ncncc2Cl)n1 787901625 RTJQUTDSDMMPBG-UHFFFAOYSA-N 283.683 -0.520 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@H](C)S1=O 792391572 GAPVOSWEQCBHGV-RKDXNWHRSA-N 287.385 -0.615 50 20 CBGD CCOC(=O)/C(C#N)=C/N[C@@H]1CCC(=O)N(C)C1=O 818997289 XGBPJHPFQFSEBV-FCZSHJHJSA-N 265.269 -0.306 50 20 CBGD O=C(CC1CC1)NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 819118091 MVGHUSPTTNGBJF-VIFPVBQESA-N 291.311 -0.290 50 20 CBGD CCN(C)C(=O)CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 826537708 PGWJGKNVODMLOM-RKDXNWHRSA-N 286.332 -0.780 50 20 CBGD NCC(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 843420233 TYKHKLZPLYVYGP-UHFFFAOYSA-N 284.341 -0.471 50 20 CBGD CCONC(=O)CNC(=O)NNC(=O)c1ccccc1O 845552443 GOJKSQSKMPJEDP-UHFFFAOYSA-N 296.283 -0.596 50 20 CBGD Nc1nccc(C(=O)NNC(=O)[C@H]2CCCO2)c1[N+](=O)[O-] 848127236 FYJZSTLRVMBBBV-SSDOTTSWSA-N 295.255 -0.488 50 20 CBGD C[C@H](C(=O)NNC(=O)c1cc[nH]n1)c1cnn(C)c1 855357420 IXPVMXGOKPIJLS-ZETCQYMHSA-N 262.273 -0.292 50 20 CBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@H](O)C1CC1 855832464 CGWIPFCVOYFHIP-LLVKDONJSA-N 299.371 -0.153 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCOCC2CC2)N1 858205009 WHNKSLOZPGTALM-VIFPVBQESA-N 284.316 -0.978 50 20 CBGD C[C@H]1C[C@@H](C)CN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 858696573 LYIXXOIONCIEJF-HRDYMLBCSA-N 268.317 -0.264 50 20 CBGD Cc1ccnc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 860909567 LVCXUXNOEHRZQU-QMMMGPOBSA-N 277.284 -0.179 50 20 CBGD CCOCCCNC(=S)NNC(=O)[C@@H]1CCC(=O)N1 863204258 UJASJFHUAUKXMA-QMMMGPOBSA-N 288.373 -0.813 50 20 CBGD CN(C)CC(=O)NNC(=O)c1nn(C)cc1Cl 863865717 YICHOJCAXUJIKJ-UHFFFAOYSA-N 259.697 -0.604 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H](C)n1cccn1 869909315 QMGPZKDLBZIUTF-VIFPVBQESA-N 270.289 -0.746 50 20 CBGD COC(C)(C)CCNC(=O)c1ccc(B(O)O)cc1 871261418 UJTQBHBTNCYERO-UHFFFAOYSA-N 265.118 -0.089 50 20 CBGD COC(=O)CN(CC#N)S(=O)(=O)CCCCl 881910608 SUNCIFZKKVBXQJ-UHFFFAOYSA-N 268.722 -0.056 50 20 CBGD CCN(CCO)NC(=O)CCN1CCN(C(C)C)CC1 911444908 WVAJLROPDJROAQ-UHFFFAOYSA-N 286.420 -0.252 50 20 CBGD C/C=C/C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 913156136 TWPVQVFZASRYPS-NSCUHMNNSA-N 272.268 -0.001 50 20 CBGD CCN1CCC[C@@H](NC(=O)NN(C)C(=O)OC)C1=O 925983164 CLLAJSUXOAJVTA-MRVPVSSYSA-N 272.305 -0.090 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)NCC1CC1 930735206 VRHYFZOKQLSGAQ-MRVPVSSYSA-N 254.290 -0.652 50 20 CBGD O=C1CSC[C@@H](C(=O)NNc2ncc(F)cn2)N1 935125290 IDSQKYLREGCJAY-LURJTMIESA-N 271.277 -0.710 50 20 CBGD Cn1cc(C=NNC(=O)Cc2cc(O)nc(S)n2)cn1 1317708247 HHCMAQHUZWYSHS-UHFFFAOYSA-N 292.324 -0.103 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@H]1CCC(=O)N1 1318953493 LVLCVCVEUFJVMI-SECBINFHSA-N 262.269 -0.950 50 20 CBGD CC(=O)NNS(=O)(=O)c1cn2c(n1)CCCC2 1320398037 PKMJORCGGCNBDI-UHFFFAOYSA-N 258.303 -0.451 50 20 CBGD CCOCC(=O)NNC(=O)NOC[C@@H]1CCOC1 1324445708 BXCGCAASHHSPFT-MRVPVSSYSA-N 261.278 -0.679 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](C)C(=O)N(C)C 1326279129 JUUQLLULADPXEP-HRDYMLBCSA-N 286.332 -0.782 50 20 CBGD Cc1cnn(C)c1S(=O)(=O)NNC(=O)c1cnn(C)c1 1327854393 ZCQIKBKJBHCORA-UHFFFAOYSA-N 298.328 -0.915 50 20 CBGD COCn1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1 1328342805 PJTDXIPDGDSWJM-RKDXNWHRSA-N 282.300 -0.327 50 20 CBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ncc(F)cn1 1329906516 WSRCVSOKZMARDZ-RQJHMYQMSA-N 253.237 -0.430 50 20 CBGD Cn1cc([C@H](O)C(=O)NNc2nncc(N)c2Cl)cn1 1331164818 JJWPSHGMUHWOOG-QMMMGPOBSA-N 297.706 -0.378 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1ccc(N)nc1 1335346946 HHDPKYYEDVYRCT-UHFFFAOYSA-N 270.314 -0.451 50 20 CBGD Cc1ccccc1CC(=O)NNC(=O)N[C@H]1CNOC1 1335646876 YKQOKXCHFQVRAF-NSHDSACASA-N 278.312 -0.229 50 20 CBGD COCCOCC(=O)NNC(=O)/C=C\[C@H]1CCOC1 1348740366 AYJQFJHEEYQPRK-ZMWSMAPVSA-N 272.301 -0.611 50 20 CBGD O=C(CN1C(=O)CCC1=O)NNC(=S)NCC1CCC1 1350067765 UZNCFJCWXAQADR-UHFFFAOYSA-N 298.368 -0.569 50 20 CBGD Cn1ccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)n1 1549319937 JQCZMJKGOGVVBB-VXGBXAGGSA-N 277.328 -0.267 50 20 CBGD CCC(CC)(C(=O)O)C(=O)NNC(=O)c1ncon1 1573785661 WJFGVRFSUHSRPP-UHFFFAOYSA-N 270.245 -0.278 50 20 CBGD CNC[C@@H](O)[C@@H](C)C(=O)NNC(=S)Nc1ccccn1 1578647844 XGIIVEYUDKYBET-RKDXNWHRSA-N 297.384 -0.384 50 20 CBGD C[C@@H](O)[C@H](N)C(=O)NNC(=O)c1cccc(Cl)n1 1579420313 ZGIDFDXWQPTHNL-XRGYYRRGSA-N 272.692 -0.796 50 20 CBGD CON=CC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1579849160 XUPWQXINGBKDAN-UHFFFAOYSA-N 262.233 -0.663 50 20 CBGD CC(C)C(=O)NNC(=O)Cc1ccc(-c2nn[nH]n2)nc1 1589411243 KKEWGYXDVMWEIC-UHFFFAOYSA-N 289.299 -0.392 50 20 CBGD COC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)n1 1591275916 XDBKWCKDTAQRBL-UHFFFAOYSA-N 263.217 -0.738 50 20 CBGD O=C(NNC(=O)C1CCC1)c1ccnc(-c2nn[nH]n2)c1 1593157477 BYMKIDIEMPBVPG-UHFFFAOYSA-N 287.283 -0.177 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNC(=S)NCC1CCC1 1593911694 PUTZDYXLLMJXFD-SSDOTTSWSA-N 275.330 -0.619 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CCOCC1)C1CC1 1594783228 WUELOEWBHQKLOD-UHFFFAOYSA-N 256.258 -0.575 50 20 CBGD O=C(O)C[C@@]1(NCC(=O)NNC(=O)C2CC2)CCCOC1 1601933209 PXKZWYBIMMWJNC-ZDUSSCGKSA-N 299.327 -0.843 50 20 CBGD O=C(NNC(=O)c1cc(C(=O)O)n[nH]1)NC1CC1 1605815688 QBLHRKMRKSOSAO-UHFFFAOYSA-N 253.218 -0.786 50 20 CBGD O=C(NNC(=O)c1ccco1)N[C@H]1CCS(=O)(=O)C1 42871699 IHDBLXOMFXCNQF-ZETCQYMHSA-N 287.297 -0.589 50 20 CBGD CCCNC(=O)NNC(=O)Cn1cc([N+](=O)[O-])cn1 49279254 YFAQCBFCFMJHTD-UHFFFAOYSA-N 270.249 -0.468 50 20 CBGD CCCNC(=O)NNC(=O)CNC(=O)c1ccco1 49298553 VZIMDDFRTDPGJH-UHFFFAOYSA-N 268.273 -0.250 50 20 CBGD CC(=O)NCC(=O)NCC(=O)NNc1ccc(C)cc1 158790110 YABDGFKZYGWWEB-UHFFFAOYSA-N 278.312 -0.310 50 20 CBGD CC1(C)OB(c2cc(F)c(B(O)O)cc2F)OC1(C)C 170026249 VJIZMCOCDOPQKX-UHFFFAOYSA-N 283.876 -0.056 50 20 CBGD COc1cc(C)nc(NNC(=O)C2=NN(C)C(=O)CC2)n1 266950318 RLRGDPUJZROLFE-UHFFFAOYSA-N 292.299 -0.155 50 20 CBGD COc1cccc(NNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 281350600 WTLQKVFUDMRNEC-JGVFFNPUSA-N 280.284 -0.434 50 20 CBGD COC(=O)C[C@@H](C)CC(=O)NNC(=O)C(=O)N1CCCC1 289494871 BUSMNPMMYGDULW-VIFPVBQESA-N 299.327 -0.655 50 20 CBGD COc1ccc(C(=O)NNC(=O)N2CCOCC2)cn1 299405746 XLFAAYXVLRDNKX-UHFFFAOYSA-N 280.284 -0.223 50 20 CBGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)NN)CC1=O 361739259 OJSYWVOATUFRER-NXEZZACHSA-N 254.334 -0.691 50 20 CBGD C[C@](O)(C(=O)Nc1cccc(B(O)O)c1)C1CCOCC1 584912938 XYQDIGBLUIDREQ-CQSZACIVSA-N 293.128 -0.518 50 20 CBGD C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(B(O)O)c(F)c1 584949590 IALOIKZVNADTIM-RKDXNWHRSA-N 281.092 -0.245 50 20 CBGD C[C@@H](CNC(=O)c1cc(B(O)O)ccc1F)[S@](C)=O 584967371 UJRQMAIACXDEQJ-IIYDVTGLSA-N 287.121 -0.998 50 20 CBGD C[C@@H]1OCC[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584967886 CKGAZJQXYBTKKC-CPCISQLKSA-N 267.065 -0.587 50 20 CBGD O=C(NCCCCCO)c1ccc(B(O)O)cc1 584982452 HOHZQAXFINBBEN-UHFFFAOYSA-N 251.091 -0.741 50 20 CBGD CC[C@@H](NC(=O)c1ccc(B(O)O)cc1)[C@@H](C)O 584998159 NGXAHHLSEFLQRJ-LDYMZIIASA-N 251.091 -0.744 50 20 CBGD C[C@@H](CN1CCOC[C@H]1C)NCc1ccc(B(O)O)o1 585021435 KJQKWTXPZTYOLD-WDEREUQCSA-N 282.149 -0.842 50 20 CBGD C[C@H]1CN(C)CC[C@@H]1NCc1ccc(B(O)O)o1 585021951 GFZLYTHUMWMRBE-ONGXEEELSA-N 252.123 -0.611 50 20 CBGD CS(=O)(=O)CC1(CNCc2ccc(B(O)O)cc2)CC1 585026174 JNFIDBBBQJMUCF-UHFFFAOYSA-N 297.185 -0.719 50 20 CBGD C[C@@H]1C[C@@H](NCc2ccc(B(O)O)cc2)CCN1C 585027483 UWTBQAYLWMDCJA-RISCZKNCSA-N 262.162 -0.061 50 20 CBGD C[C@@H](CC[S@](C)=O)NCc1cccc(B(O)O)c1 585031156 SHTBLTGPVKBRIK-YPMLDQLKSA-N 269.175 -0.387 50 20 CBGD OB(O)c1cccc(CN[C@H]2COc3ccccc3[C@H]2O)c1 585040241 CVVXNWJCFGCWKA-GOEBONIOSA-N 299.135 -0.049 50 20 CBGD O=C(CCNc1ccccc1[N+](=O)[O-])NCB(O)O 585061489 YVXPTCIXMRDTAJ-UHFFFAOYSA-N 267.050 -0.475 50 20 CBGD CCC(=O)NNS(=O)(=O)c1cnc2c(c1)c(C)nn2C 751266494 FSKFZDGIIDOTAU-UHFFFAOYSA-N 297.340 -0.004 50 20 CBGD COCC(=O)NNC(=O)Nc1cc(C)c(C)nn1 756582878 KALSMJUIPVZFPE-UHFFFAOYSA-N 253.262 -0.107 50 20 CBGD CC(C)NC(=O)CCCC(=O)NNC(=O)C(C)(C)O 768245733 XXLDSFWMWZBLGI-UHFFFAOYSA-N 273.333 -0.400 50 20 CBGD COCCCNC(=O)NNC(=O)Cc1noc(C)c1C#N 779504029 XMZANNCNYBXAPZ-UHFFFAOYSA-N 295.299 -0.236 50 20 CBGD CC[C@@]1(CO)CCCN1CC(=O)NNC(=O)C1CC1 784389950 UDPUSCVPYSFOSH-ZDUSSCGKSA-N 269.345 -0.219 50 20 CBGD CC[C@](C)(OC)C(=O)NNC(=O)C(=O)Nc1ccccn1 795173369 BBLHDWRUXZTNQL-ZDUSSCGKSA-N 294.311 -0.017 50 20 CBGD CN(CCC(N)=O)CC(=O)NNC(=O)c1cccs1 796589561 FIHSWTUTGHAPTP-UHFFFAOYSA-N 284.341 -0.684 50 20 CBGD COc1nccc(NC(=O)NNC(=O)c2cc(C)[nH]n2)n1 801725210 ILPHOHAEPYARIR-UHFFFAOYSA-N 291.271 -0.017 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ccncc2F)CC1 807380988 ZBXSYXIYTOCIBH-UHFFFAOYSA-N 281.291 -0.178 50 20 CBGD Cc1cc(C(=O)NNC(=O)N2CCN(C)CC2)ncn1 807382097 XFKXSHZXGBAZGH-UHFFFAOYSA-N 278.316 -0.613 50 20 CBGD CN(C)c1c(C=NNC(=O)C2CC2)c(=O)n(C)c(=O)n1C 807945214 HVPQRBCSMWTFSR-UHFFFAOYSA-N 293.327 -0.990 50 20 CBGD Cc1nn(C)cc1S(=O)(=O)NNC(=O)C(C)C 808070414 VZNDLIATSZOJQJ-UHFFFAOYSA-N 260.319 -0.306 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@H](CO)OC(C)(C)C1 817279122 ITTDTNALLQFGDY-NXEZZACHSA-N 287.360 -0.596 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 818414578 BEOFSXMARDUCNM-NGZCFLSTSA-N 295.339 -0.430 50 20 CBGD C#C[C@H](C)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 820440527 LEIGAXQIRDAXAB-WPRPVWTQSA-N 259.331 -0.611 50 20 CBGD C[C@@H](O)CN(C)NC(=O)/C=C/CN1CCOCC1 821218097 UQPXFCHAPIZDTF-PGLGOXFNSA-N 257.334 -0.781 50 20 CBGD CN1C(=O)CC[C@H]1CC(=O)NNC(=O)NC1CC1 823766981 BDNOGCFRWOJROP-QMMMGPOBSA-N 254.290 -0.510 50 20 CBGD CCc1nc(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n[nH]1 827114956 SEBWCDZJQNXONJ-SFYZADRCSA-N 296.331 -0.378 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCCC[C@@H]1CO 827410973 CZLDZFQVEXHAQG-SNVBAGLBSA-N 257.334 -0.363 50 20 CBGD C[C@H](CN(CC(=O)NNC(=O)C1CC1)C1CC1)C(=O)O 827450193 TWBPPOJTZXZDDZ-MRVPVSSYSA-N 283.328 -0.271 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1cc[nH]c1 827831990 SQLMPMMBDTYWSD-UHFFFAOYSA-N 250.258 -0.602 50 20 CBGD C#CCOCCNC(=O)NNC(=O)[C@H]1CCCCO1 836397361 XOJLZCPLUGKJGS-SNVBAGLBSA-N 269.301 -0.464 50 20 CBGD Cc1cc(C(=O)NNC(=O)CO)ccc1N1CCOCC1 844138657 UOUHMFUKYVMFGI-UHFFFAOYSA-N 293.323 -0.415 50 20 CBGD COCCN(C)S(=O)(=O)NNC(=O)c1ccc(C)o1 844655868 DQWKZHYORNEXAZ-UHFFFAOYSA-N 291.329 -0.355 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(-n2nnnc2C)cc1 845300205 SFLJRTHGQHAZJK-UHFFFAOYSA-N 289.299 -0.065 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CCCS1(=O)=O 847687121 MOOPPTBOIMWGMF-SSDOTTSWSA-N 263.319 -0.744 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@@H]2CCCS2(=O)=O)n1 848371585 PHRCHDQBGHNSHG-QMMMGPOBSA-N 299.356 -0.437 50 20 CBGD COCCN(C)NC(=O)CCC(=O)c1cnn(C)c1 848378207 LSBHHLHVQYDSGK-UHFFFAOYSA-N 268.317 -0.008 50 20 CBGD CNC(=S)N(C)NC(=O)COc1cccnc1 854926069 QNZJNBLMOILVRY-UHFFFAOYSA-N 254.315 -0.072 50 20 CBGD C[C@@H](NC(=S)NNC(=O)C1(C(N)=O)CC1)C1CC1 855100409 BCRXCERHFDVYPA-ZCFIWIBFSA-N 270.358 -0.454 50 20 CBGD CCn1nc(C)c(C(=O)NNC(=O)c2cc[nH]n2)n1 855355783 HLJIOOIDABSOQB-UHFFFAOYSA-N 263.261 -0.596 50 20 CBGD CCN1C[C@H](C(=O)NNC(=O)c2cccc(F)n2)CC1=O 856422328 SQAMJBKQIHLOCV-MRVPVSSYSA-N 294.286 -0.150 50 20 CBGD CC[C@@H](C)N(C)CCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858195089 QZMJROHGILXHKI-ZJUUUORDSA-N 299.375 -0.674 50 20 CBGD Cc1ccnn1CC(=O)NNC(=O)[C@H]1CCCCO1 861854564 XUDIJLVIUOENCH-SNVBAGLBSA-N 266.301 -0.092 50 20 CBGD CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)c2cn[nH]c2)C1 862472525 LPHDKBMBHHBCPK-GFCCVEGCSA-N 279.300 -0.571 50 20 CBGD O=C(NO[C@@H]1CCCCO1)c1cc(B(O)O)ccc1F 863872494 UEMSCPCQMICZDA-LLVKDONJSA-N 283.064 -0.307 50 20 CBGD CNc1ncc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 863935973 YZIXSRCWAJJZSK-YFKPBYRVSA-N 283.313 -0.776 50 20 CBGD O=C(CNC(=O)c1cccs1)NNC(=O)C1CSC1 865099930 WVINTGYNNACYTL-UHFFFAOYSA-N 299.377 -0.012 50 20 CBGD CC#CCCCC(=O)NNC(=O)COCCOC 869907156 CYSWPQNISMKPKR-UHFFFAOYSA-N 256.302 -0.010 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CCCC(=O)N1C 905101136 WQZSLLUZYQQULB-QMMMGPOBSA-N 270.358 -0.321 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cccn2nnnc12 911445311 RJTQNHCUSLMJSW-ZETCQYMHSA-N 250.262 -0.918 50 20 CBGD CSC[C@H](C(=O)NN)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 916665508 BZWGDMASVKOYMZ-IWSPIJDZSA-N 285.369 -0.117 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccncc2)CN1 1115852034 CLNMRYZVGUUBFA-SECBINFHSA-N 262.269 -0.631 50 20 CBGD NC(=O)NNC(=O)c1csc(N2CCOCC2)n1 1115862730 CFNIIRXBAIHJMF-UHFFFAOYSA-N 271.302 -0.707 50 20 CBGD Cn1ccc(S(=O)(=O)NNC(=O)c2ccc[nH]2)n1 1251538900 FVMWMUFRXUSIMN-UHFFFAOYSA-N 269.286 -0.629 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1CN(C)CCO1 1252381659 BYZQKLJAXKOGOO-QMMMGPOBSA-N 260.363 -0.779 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)c2cnn(C)c2)o1 1319293390 WOVOPCMWVHRJQA-UHFFFAOYSA-N 292.251 -0.126 50 20 CBGD O=C(NCC1CC1)NNC(=O)c1ccc2nnc(O)n2c1 1319584662 VZTSIFJPROEKKF-UHFFFAOYSA-N 290.283 -0.211 50 20 CBGD CN(C)C(=O)NNC(=O)C1CCN(C(=O)N(C)C)CC1 1320705308 NEEJYIDMCJFTIS-UHFFFAOYSA-N 285.348 -0.318 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)n1ccnc1 1321910168 MBDAGDVKGQTISE-MRVPVSSYSA-N 262.273 -0.063 50 20 CBGD Cc1c(C(=O)NN(C)C(N)=O)nnn1Cc1ccncc1 1322965871 SUICABDRNBHWKF-UHFFFAOYSA-N 289.299 -0.315 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CCC1CCOCC1 1323203251 CTCVYXPURDMJLA-UHFFFAOYSA-N 285.344 -0.135 50 20 CBGD CS(=O)(=O)CCC(=O)NNC(=O)c1ccc[nH]1 1323296022 YHTWNAKREJOCSC-UHFFFAOYSA-N 259.287 -0.790 50 20 CBGD CCn1ncnc1C=NNC(=O)CN1CCCC1=O 1326783685 DGFJTSKPVLODOB-UHFFFAOYSA-N 264.289 -0.630 50 20 CBGD CCn1ccc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 1328799470 NJFKYVLLLPNANV-SECBINFHSA-N 294.315 -0.988 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cccnc2F)N1 1330109824 WXGFCZCVLZJTSY-SSDOTTSWSA-N 266.232 -0.740 50 20 CBGD C[C@@H](C#N)C(=O)NNC(=O)CNC(=O)c1ccco1 1330270469 KMIUWJKMCUUEQH-ZETCQYMHSA-N 264.241 -0.684 50 20 CBGD Cc1cnc(C(=O)NNC(=O)C2CCNCC2)o1 1331210168 NTMJIKWGQBAKCS-UHFFFAOYSA-N 252.274 -0.256 50 20 CBGD COc1ncccc1C(=O)NNc1ccc(C(N)=O)nn1 1332223090 IKSDXFVMVSMAPU-UHFFFAOYSA-N 288.267 -0.264 50 20 CBGD CN1CCC(NC(=S)NNC(=O)c2cc[nH]n2)CC1 1333143606 DXFIUWFTNBYAGV-UHFFFAOYSA-N 282.373 -0.387 50 20 CBGD CN1CCO[C@@H](C(=O)NNc2nncc(N)c2Cl)C1 1333506369 AGSUWYKZAHHFBV-SSDOTTSWSA-N 286.723 -0.514 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1336124876 RTMJEFCOYRUMEH-GMXVVIOVSA-N 280.324 -0.011 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H]1CCCS1(=O)=O 1349779744 WFDKJRVRWJDHBG-SSDOTTSWSA-N 279.387 -0.533 50 20 CBGD CCONC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1578378969 WAXVQTGXXBRIJC-UHFFFAOYSA-N 264.249 -0.161 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cccc(-c2nn[nH]n2)n1 1589882935 VBRXVDHXPKOYKP-SSDOTTSWSA-N 277.288 -0.781 50 20 CBGD CO[C@](C)(C(=O)O)C(=O)NNC(=S)NC(C)(C)C 1593927240 USNHWSZNLWKQOI-JTQLQIEISA-N 277.346 -0.230 50 20 CBGD O=C(C[C@H]1CCC(=O)N1)NNc1ccc(C(=O)O)cn1 1601248556 AVJFNWSRAOAEQX-MRVPVSSYSA-N 278.268 -0.108 50 20 CBGD O=C(NCC1(C(=O)O)CC1)NNc1cccnn1 1601468233 DZNXRJQAXOJZMV-UHFFFAOYSA-N 251.246 -0.033 50 20 CBGD C[C@](O)(CNS(=O)(=O)CBr)C(=O)O 1603263086 HEDSKXSCZHDVEJ-YFKPBYRVSA-N 276.108 -0.906 50 20 CBGD O=C(CNS(=O)(=O)CCCCl)NC1CC1 36881273 KFFNIWFSZSUMQU-UHFFFAOYSA-N 254.739 -0.187 50 20 CBGD CCNC(=O)NNC(=O)Cn1ccc([N+](=O)[O-])n1 49164515 BSFSZYQFTKPYPN-UHFFFAOYSA-N 256.222 -0.858 50 20 CBGD O=S(=O)(CBr)NC[C@@]1(O)CCOC1 227982364 XADFIKSARUXWLA-LURJTMIESA-N 274.136 -0.590 50 20 CBGD O=C(NNC(=O)[C@H]1COCCO1)c1cccc(F)n1 270694293 ANMSBYRIUMXAFL-MRVPVSSYSA-N 269.232 -0.603 50 20 CBGD CO[C@@H](C)CCC(=O)NNC(=O)CNC(=O)c1ccco1 272735418 FFBISSUAYJRPLC-VIFPVBQESA-N 297.311 -0.028 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H](N)C2CCOCC2)n1 282330810 PXJRAYMZYCZNHE-LLVKDONJSA-N 295.343 -0.009 50 20 CBGD CSSCCNC(=O)CNC(=O)CNC(C)=O 285633491 HZBOMFXEFNQYOA-UHFFFAOYSA-N 279.387 -0.634 50 20 CBGD COCCN(C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 288425792 HMPGIGQVHQQGOL-UHFFFAOYSA-N 284.272 -0.634 50 20 CBGD C[C@@H](O)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 492513736 VDXDUXPGXBXOEO-ZCFIWIBFSA-N 261.278 -0.961 50 20 CBGD CC(C)(C)[C@H](CO)C(=O)Nc1cccc(B(O)O)c1 584912170 CUBLFJKSDAMCJY-LLVKDONJSA-N 265.118 -0.041 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@@H]1N(C)C 584956352 WFBCBUAAYGQVTC-ZANVPECISA-N 294.135 -0.472 50 20 CBGD C[C@@]1(NC(=O)c2cc(B(O)O)ccc2F)CCCOC1 584969716 IBWBQFPNJIQTQZ-CYBMUJFWSA-N 281.092 -0.196 50 20 CBGD CCN(C)C(=O)[C@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584979750 DKUUDGOMHPGMIZ-QMMMGPOBSA-N 296.107 -0.898 50 20 CBGD O=C(N[C@H](CO)CC(F)F)c1ccc(B(O)O)c(F)c1 584983784 TTZGVRQYUSSMDY-ZETCQYMHSA-N 291.034 -0.749 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@@H]2CC[C@H]2C1 585007463 NEPSYXRWVXVTSK-IUCAKERBSA-N 263.077 -0.013 50 20 CBGD CS(=O)(=O)CC1(CNCc2ccccc2B(O)O)CC1 585026164 JJDNIZNKNBLDQQ-UHFFFAOYSA-N 297.185 -0.719 50 20 CBGD CC[C@H](NCc1ccc(B(O)O)o1)[C@@H](O)C(C)C 585047070 ZSWRJNCYSJMYAC-JQWIXIFHSA-N 255.123 -0.156 50 20 CBGD Cc1ccc(-n2cc(C(=O)NCB(O)O)nn2)cc1 585061599 AVMZTWSZCZKXEX-UHFFFAOYSA-N 260.062 -0.682 50 20 CBGD CN(C)C(=O)NNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 726530113 BOXKTIHXMGFNHT-UHFFFAOYSA-N 284.276 -0.171 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2CCN(C)C2)n1 729283695 ODLAUOKUIRJBMI-MRVPVSSYSA-N 251.290 -0.120 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)C2CCC2)CC1=O 732141868 XWKFNDGVJNUZBC-VIFPVBQESA-N 253.302 -0.198 50 20 CBGD O=C(NNC1=N[C@H]2C=C[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 739413412 QIANBNAEJWQQON-YIZRAAEISA-N 269.326 -0.601 50 20 CBGD C[C@H]1CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)CCN1C 741464761 TXERNGDQSTWDCE-DTWKUNHWSA-N 290.389 -0.490 50 20 CBGD COCCC1(C(=O)NNC(=O)C(=O)N2CCCC2)CC1 746146138 BMRJKURRVVPYIS-UHFFFAOYSA-N 283.328 -0.427 50 20 CBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)c1ccccn1 746813533 QNSATPTUHKRDRJ-QMMMGPOBSA-N 285.325 -0.477 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CCc2c[nH]nc2C1 758906813 XBSZXZBITHBKBY-VIFPVBQESA-N 281.316 -0.366 50 20 CBGD CC(C)Oc1ccccc1NC(=O)C(=O)NNC(=O)CO 764428306 FBFLVDJCTQBFRW-UHFFFAOYSA-N 295.295 -0.448 50 20 CBGD CC(=O)NNC(=O)c1csc(S(C)(=O)=O)c1 766553510 CUSNPCFALLULOK-UHFFFAOYSA-N 262.312 -0.068 50 20 CBGD C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)C(C)(C)O 768260407 WFZDFJBQWDDXMM-RKDXNWHRSA-N 257.334 -0.223 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](COC)O[C@H](C)C1 784374024 UOCUHEPSVMSHAU-VWYCJHECSA-N 287.360 -0.332 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H](COC)[C@H]1CCCO1 789380706 AWXFFXVTCUSDOC-HBNTYKKESA-N 287.360 -0.284 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)c1cc([N+](=O)[O-])n[nH]1 796905031 CSWBKPBCFOZJMR-UHFFFAOYSA-N 290.239 -0.283 50 20 CBGD COc1ccc(C(=O)NNC(=O)CN(C)OC)cc1OC 800562334 UGPGKOQAOVKVQE-UHFFFAOYSA-N 297.311 -0.042 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=S)NCC1CCC1 824437579 VYZTWAYCOBLFIO-SECBINFHSA-N 284.385 -0.097 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@](F)(C(=O)O)C1 828570626 OZQHJCBKHGNAJN-WRWORJQWSA-N 275.280 -0.569 50 20 CBGD COCCO[C@@H](C)C(=O)NN=Cc1nccc(OC)n1 842527053 FUEKNOYLVQFJNT-VIFPVBQESA-N 282.300 -0.013 50 20 CBGD COc1ncnc(N)c1C=NNC(=O)[C@@H]1CCO[C@@H]1C 842557267 VERDKIPHYVJAND-HTQZYQBOSA-N 279.300 -0.058 50 20 CBGD C=CCn1cc(C(=O)NN(C)C(=O)NCC)nn1 843849093 GPJRHPRTSHNBGW-UHFFFAOYSA-N 252.278 -0.230 50 20 CBGD CCONC(=O)CNC(=O)NNC(=O)c1ccc(C)o1 845545066 UZHRTZBTYJQHKY-UHFFFAOYSA-N 284.272 -0.400 50 20 CBGD C[C@@H]1CCCN1S(=O)(=O)NNC(=O)c1cc[nH]n1 849310795 PLNWGTKRVSGFEW-SSDOTTSWSA-N 273.318 -0.627 50 20 CBGD CSSCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 854393643 HTMIWGNTFNZNDS-YFKPBYRVSA-N 263.344 -0.288 50 20 CBGD CC(C)NC(=O)CCCC(=O)NNC(=O)c1cn[nH]c1 862471500 GWJXQDBNHXJSKZ-UHFFFAOYSA-N 281.316 -0.134 50 20 CBGD COC(=O)c1ccccc1C=NNC(=O)CS(C)(=O)=O 863187965 JVTSZDQDAJZYAG-UHFFFAOYSA-N 298.320 -0.032 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C[C@H]1C=CCC1 863458941 ITUVKBJWRGIFSA-QMMMGPOBSA-N 260.315 -0.465 50 20 CBGD O=[N+]([O-])c1cnn(CCNCc2ccc(B(O)O)cc2)c1 863887987 BWGOQTZWKPBRAT-UHFFFAOYSA-N 290.088 -0.739 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc2nccn2c1 869068618 SJBJPVHJPZHELH-SCZZXKLOSA-N 289.295 -0.085 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H](OC)C1CC1 869906283 KKRDLEKUCFGIOU-SNVBAGLBSA-N 260.290 -0.778 50 20 CBGD C[C@H](NCc1cccc(B(O)O)c1)c1nnnn1C1CC1 877473911 NMVVDLGXAKFBOM-VIFPVBQESA-N 287.132 -0.461 50 20 CBGD C#CCSCC(=O)NNC(=O)N1CCN(C)CC1 897535839 PKDVJBHNNPQYOW-UHFFFAOYSA-N 270.358 -0.659 50 20 CBGD CO[C@@H]1CCOC[C@H]1NC(=O)NNc1ncccn1 898100897 QGFYJECAIWUADH-RKDXNWHRSA-N 267.289 -0.093 50 20 CBGD CN1C(=O)CCC[C@H]1C(=O)NNC(=O)N1CCOCC1 906446681 BXXSEBGAOLWHIJ-VIFPVBQESA-N 284.316 -0.930 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCCCN1S(C)(=O)=O 910180162 SODIKCUEWUQHFX-VHSXEESVSA-N 293.389 -0.856 50 20 CBGD CO[C@@H](C)CCC(=O)NNC(=O)CN1CCCC1=O 913732271 OWMHPNMJQMFFPG-VIFPVBQESA-N 271.317 -0.429 50 20 CBGD Cc1ccc(C(=O)NNC(=O)N2CCOCC2)c(O)n1 1115910520 LGZAFNMIUHGCPT-UHFFFAOYSA-N 280.284 -0.218 50 20 CBGD O=C(CCCn1cccn1)NNC(=O)[C@H]1CCC(=O)N1 1118884291 DNOCOAQZPSRGPS-SECBINFHSA-N 279.300 -0.911 50 20 CBGD O=C(NCCC(F)F)c1cc(B(O)O)ccc1F 1263997324 MVKAXJXTLUFTHW-UHFFFAOYSA-N 261.008 -0.110 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccc(N(C)C)nc1 1318941192 FPURARYIDFKJFN-UHFFFAOYSA-N 295.299 -0.849 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)Cc2ccccn2)nn1 1319432978 HMSDLNGYTRYLEA-UHFFFAOYSA-N 288.267 -0.550 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCc1cncn1C 1321047417 TUTNFQWHMAYHGZ-UHFFFAOYSA-N 276.300 -0.155 50 20 CBGD CN(C)C(=O)NNC(=O)CCOC1CCOCC1 1323667490 HMDJPBZJOYNXED-UHFFFAOYSA-N 259.306 -0.126 50 20 CBGD COC(=O)C(=O)NN=Cc1cn(C)nc1C(F)F 1324014282 LTDUKTFSKNVYCN-UHFFFAOYSA-N 260.200 -0.019 50 20 CBGD CN(C)N(C(=O)c1ncccc1O)[C@H]1CCS(=O)(=O)C1 1324085961 KNRYAOIUXRLGQN-VIFPVBQESA-N 299.352 -0.107 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ncn(C)n1 1326294342 AXOVXIUVVIDGHH-DJLDLDEBSA-N 296.331 -0.369 50 20 CBGD COC(=O)[C@@H]1CCC[C@H]1NCC(=O)NNC(=O)C1CC1 1326574215 ZCYUIRCSXMCDNP-NXEZZACHSA-N 283.328 -0.525 50 20 CBGD O=C(CCn1cncn1)NNC(=O)OCC(F)(F)F 1328422696 RFAPOJNPMYAXBL-UHFFFAOYSA-N 281.194 -0.012 50 20 CBGD O=C(Cc1cscn1)NNC(=O)[C@H]1CCC(=O)N1 1331882139 UETUWGUWTNXOIG-SSDOTTSWSA-N 268.298 -0.888 50 20 CBGD N#Cc1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cn1 1331897699 YWBFUUGWLIRSPV-MRVPVSSYSA-N 281.102 -0.809 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)NCC2CC2)[nH]1 1334938732 FKZKGGYJQIHDHI-UHFFFAOYSA-N 265.273 -0.532 50 20 CBGD Cc1c[nH]cc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1335329318 HLQGIWXEEVPRSV-MRVPVSSYSA-N 250.258 -0.637 50 20 CBGD CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)c1cc[nH]n1 1335979314 AYNKLFOBRVQJFM-CBAPKCEASA-N 252.274 -0.014 50 20 CBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNc1ncncc1Cl 1348300687 MSILLQLCFCKAPR-SCZZXKLOSA-N 296.762 -0.039 50 20 CBGD Cc1nc(C=NNC(=O)Cc2cc(O)nc(O)n2)[nH]c1C 1350464568 DKFZPTFFLHQGAW-UHFFFAOYSA-N 290.283 -0.079 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@@H](F)CN1)c1n[nH]c2c1CCCC2 1574334777 WKBUYHHMCKSNPJ-GMSGAONNSA-N 295.318 -0.251 50 20 CBGD Cn1nc(N)cc1C(=O)NNC(=O)c1ccc(C#N)cc1 1579996601 LRNMCIHXYICBJD-UHFFFAOYSA-N 284.279 -0.051 50 20 CBGD NC1(C(=O)NNC(=O)c2cnsn2)CCCC1 1580139352 MUNYNHJUIYBHAH-UHFFFAOYSA-N 255.303 -0.429 50 20 CBGD CC(C)[C@H](C(=O)O)C(=O)NNC(=O)Cc1cc[nH]n1 1588808279 VHTFCAJBPDGVPU-VIFPVBQESA-N 268.273 -0.544 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@]1(C(=O)O)CCOC1 1603835460 VNOMMNYGZBKGBA-BPOWMSRESA-N 254.242 -0.210 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CC(CC(=O)O)C1 1609786861 QNFVRBSTTSWWNE-ULUSZKPHSA-N 291.329 -0.719 50 20 CBGD Cc1ccnc2nc(C(=O)NNC(=O)[C@@H]3CCCO3)nn12 32260731 KDGMHIYQDHFQQF-QMMMGPOBSA-N 290.283 -0.627 50 20 CBGD CCOC(=O)NNC(=O)c1ccc(S(=O)(=O)NC)o1 46669884 VWSPSEGBQQGSAD-UHFFFAOYSA-N 291.285 -0.421 50 20 CBGD Cc1ccc(NNC(=O)N[C@@H]2C(=O)NCC[C@H]2C)nn1 194003301 QPTOKMPEZPJPRB-XCBNKYQSSA-N 278.316 -0.064 50 20 CBGD CC(=O)Nc1ccc(O)c(C(=O)NNC(=O)CN(C)C)c1 265077247 PHIVHYLBMSVTIN-UHFFFAOYSA-N 294.311 -0.327 50 20 CBGD COc1cc(C)nc(NNC(=O)C[C@@H]2CNCCO2)n1 269220229 NFGQXLSQJKQUCB-SECBINFHSA-N 281.316 -0.385 50 20 CBGD CCC[C@@](C)(O)C(=O)NNC(=O)C(=O)NC(C)C 269324952 UYLMHMHJILPDOE-LLVKDONJSA-N 259.306 -0.791 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCCC(=O)N2)[nH]n1 270720716 WRFVXYAZRQPZPD-ZETCQYMHSA-N 265.273 -0.852 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cccc(NC(N)=O)c1 276203338 GCRZBWMCFXNOOM-UHFFFAOYSA-N 280.284 -0.291 50 20 CBGD C=CCNC(=S)NNC(=O)CCc1nc(N(C)C)no1 280874579 BYTHPXPSUPOWEJ-UHFFFAOYSA-N 298.372 -0.251 50 20 CBGD CCOCC1(C(=O)NNC(=O)c2cnn(C)c2)CC1 281795172 UWENFJFMXKMTGX-UHFFFAOYSA-N 266.301 -0.002 50 20 CBGD NC(=O)[C@H]1CC[C@H](C(=O)NCC(Cl)Cl)O1 294368228 LIHZEZZPWWBPCB-RFZPGFLSSA-N 255.101 -0.061 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 368342014 UBHQUGGAFMSXJU-SNVBAGLBSA-N 298.343 -0.946 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)NCC(C)(CO)CO)cn1 491005356 AZJROTIPLRJAGY-QDEBKDIKSA-N 278.312 -0.566 50 20 CBGD COC(=O)N(C)NC(=O)C(C)(C)S(C)(=O)=O 495764193 VNYKUOLFWSQVAH-UHFFFAOYSA-N 252.292 -0.461 50 20 CBGD COCCN(CCN(C)C)C(=O)c1cccc(B(O)O)c1 584941304 HZXJWMREPWVONU-UHFFFAOYSA-N 294.160 -0.983 50 20 CBGD Cc1nnc([C@H](C)NC(=O)c2cc(B(O)O)ccc2F)o1 584957115 CLZPNXYWBFJABO-LURJTMIESA-N 293.063 -0.312 50 20 CBGD C[C@]1(CNC(=O)c2cc(B(O)O)ccc2F)CCCO1 584958383 RSRKCKJOCYWDGX-CYBMUJFWSA-N 281.092 -0.196 50 20 CBGD CCNC(=O)C(C)(C)NC(=O)c1cccc(B(O)O)c1 584998014 NSXCOMXQIVPEGM-UHFFFAOYSA-N 278.117 -0.989 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC2(CCCO2)C1 585010718 YDCJYPNTEDJTFN-UHFFFAOYSA-N 279.076 -0.490 50 20 CBGD CC1(C)OC[C@H]2C[C@@]21NC(=O)c1ccc(B(O)O)c(F)c1 585010859 YSXINJJDKITORT-YMTOWFKASA-N 293.103 -0.197 50 20 CBGD OB(O)c1ccccc1CNC[C@H]1CN2CCC[C@H]2CO1 585022402 NJZIVKLRVOWKPY-KBPBESRZSA-N 290.172 -0.681 50 20 CBGD CC[C@@H](C)NC(=O)[C@@H](C)NCc1ccccc1B(O)O 585032145 BXHUDYVSQLAYRJ-GHMZBOCLSA-N 278.161 -0.241 50 20 CBGD CCO[C@@H]1C[C@H](NCc2ccc(B(O)O)o2)[C@@]12CCCO2 585034937 NOQLPSFVWNWQLT-SCRDCRAPSA-N 295.144 -0.224 50 20 CBGD CCn1cccc(CNCc2ccccc2B(O)O)c1=O 585038854 LNSXGHGPYKMTKX-UHFFFAOYSA-N 286.140 -0.162 50 20 CBGD O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NCB(O)O 585060301 DMKCZGYZEXUJER-ZDUSSCGKSA-N 292.144 -0.594 50 20 CBGD O=S(=O)(c1cccs1)N1CC[C@H](B(O)O)C1 585060313 CIIJGLFBFIXMOH-ZETCQYMHSA-N 261.133 -0.015 50 20 CBGD CN(C)N(C(=O)[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 728160917 CQHBWOXKHHALBI-GHMZBOCLSA-N 290.385 -0.095 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)Sc1nc(N)cc(N)n1 731905115 XXSNCQVHJBMQBR-YFKPBYRVSA-N 284.345 -0.321 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H]2CNC[C@@H]2C1 732198397 PHJLBQDTPVUZNY-IVZWLZJFSA-N 254.334 -0.917 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H](O)c2ccccc2)cn1 746282193 MQNDZTAJWFEJJS-LLVKDONJSA-N 274.280 -0.085 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1CCCN1c1ncccn1 747371180 NQDXMIGEBZAMRC-SECBINFHSA-N 278.316 -0.252 50 20 CBGD O=C(CO)NNC(=O)c1ccc(NC2CC2)nc1 753440090 QLLQBFLSLBLZBQ-UHFFFAOYSA-N 250.258 -0.591 50 20 CBGD O=C(C=C1CCC1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 755229258 AQPDFNTZZLETDU-SECBINFHSA-N 287.341 -0.386 50 20 CBGD COc1cc(NC(=O)NNC(=O)CO)cc(OC)c1OC 755348600 MYSDETIXWBXUDW-UHFFFAOYSA-N 299.283 -0.143 50 20 CBGD O=C(CO)NNC(=O)C(F)(F)c1nccs1 757672569 VBHCOCMJCDJAOZ-UHFFFAOYSA-N 251.214 -0.625 50 20 CBGD CSCCNC(=S)NNC(=O)[C@]1(O)CCSC1 770242561 FFNJPZMDXGTBGT-VIFPVBQESA-N 295.455 -0.287 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1ccnn1C 775752199 RRUMHJDPDDQBKE-MRVPVSSYSA-N 285.304 -0.376 50 20 CBGD NC(=O)CCCC(=O)NNc1cc(Cl)nc(N)n1 787513913 OUMUNOCGKLRDCF-UHFFFAOYSA-N 272.696 -0.189 50 20 CBGD COC(=O)C[C@H]1CCC(=NNC(=O)C(N)=O)[C@H]1C 794459930 NDRVITFMKVLJPG-NKWVEPMBSA-N 255.274 -0.447 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)C)C1(CO)CC1 796502939 VHYJFTRWMJRYKT-UHFFFAOYSA-N 257.334 -0.363 50 20 CBGD COC(=O)c1cn(CC(=O)NNc2ncccc2F)nn1 804217952 LRRKAQDIQLONPP-UHFFFAOYSA-N 294.246 -0.258 50 20 CBGD CCN(CCO)NC(=O)COc1c(C)occc1=O 823377529 UWFJLTITYGLNBU-UHFFFAOYSA-N 270.285 -0.328 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H](C)n1nnnc1C(C)(C)C 823940495 YFXGAOIRYZRNAG-DTWKUNHWSA-N 284.364 -0.125 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cnc2c(cnn2C)c1 823951095 HUNXDEXKIKLZPC-QMMMGPOBSA-N 263.301 -0.074 50 20 CBGD CC[C@H](CO)NC(=O)NNC(=O)[C@H]1CCO[C@H]1C 827280393 BGXBCTWVCVCJSM-YIZRAAEISA-N 259.306 -0.487 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CSCC#N 843646075 OTRVTINMNVUKED-JGVFFNPUSA-N 257.315 -0.184 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnn(C)c1N 843970487 GSILAIXBHQXMAO-NKWVEPMBSA-N 267.289 -0.812 50 20 CBGD CCOC(=O)NCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843973078 IWASOKSFPZFLKZ-JGVFFNPUSA-N 273.289 -0.695 50 20 CBGD CC(C)(C)CN(CC(=O)O)CC(=O)NNC(=O)C1CC1 852739977 LARKFBITZINKBP-UHFFFAOYSA-N 285.344 -0.024 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1[C@H]2CC[C@H]1CNC2 852762128 ZQQPSKNWPLMNEZ-UTLUCORTSA-N 254.334 -0.632 50 20 CBGD Nc1cnccc1C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 853390569 CROQHOOHTOIPPL-YPMHNXCESA-N 289.339 -0.023 50 20 CBGD N[C@]12CCC[C@H]1CN(CC(=O)NNC(=O)C1CC1)C2 857086570 WCTJFEYQNYRTAL-GWCFXTLKSA-N 266.345 -0.643 50 20 CBGD CC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)C(C)(C)O 861206411 XBTRYYKXBYRAFS-SECBINFHSA-N 273.333 -0.545 50 20 CBGD NC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)c2cn[nH]c2)C1 862470728 VFWAGELJELIFQO-YUMQZZPRSA-N 279.300 -0.538 50 20 CBGD COC(=O)c1cn(CC(=O)NN=c2cc[nH]c(C)c2)nn1 862512737 GPUMXURKTCBANJ-UHFFFAOYSA-N 290.283 -0.667 50 20 CBGD O=C(CN1C[C@@H]2C[C@H]1CN2)NNC(=O)c1cccs1 866677513 LLXSDVSHHCVNQW-IUCAKERBSA-N 280.353 -0.445 50 20 CBGD C[C@H](C(=O)NNc1ccnc(N(C)C)n1)N(C)C 878918392 MPFCKSCFYIEGCD-MRVPVSSYSA-N 252.322 -0.064 50 20 CBGD OB(O)c1ccc(CNCC2CC3(C2)OCCO3)cc1 896908453 BRCUFGWDVSFYED-UHFFFAOYSA-N 277.129 -0.391 50 20 CBGD CC1=C(C(=O)NN(C)C[C@@H](C)O)[C@@H](C)n2ncnc2N1C 910151409 BNRBGEOWIFNCCT-PSASIEDQSA-N 294.359 -0.093 50 20 CBGD O=C(NNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1cc[nH]n1 918688008 HRFQAZGMNVCVNB-UHFFFAOYSA-N 264.201 -0.279 50 20 CBGD COCCCNC(=O)NNC(=O)c1conc1COC 1117666697 ZLNONWWPERSLFH-UHFFFAOYSA-N 286.288 -0.199 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cncnc2C2CC2)N1 1118885376 ZABJIOOMGCJEAX-VIFPVBQESA-N 289.295 -0.606 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cn(Cc2ccccn2)nn1 1261910991 PKBICJLAXDFDPU-JTQLQIEISA-N 290.327 -0.321 50 20 CBGD COc1ccc(C=NNC(N)=O)cc1OCC(N)=O 1317804519 JTDOKSYOSGDTFP-UHFFFAOYSA-N 266.257 -0.439 50 20 CBGD Cn1ccnc(NNC(=O)[C@H]2CCC[C@H](C(N)=O)C2)c1=O 1320768387 SSJUZOBUJXKXJU-IUCAKERBSA-N 293.327 -0.485 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)C(=O)NC2CC2)o1 1324126910 FVFJIHQVHKBCGA-UHFFFAOYSA-N 295.251 -0.894 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N(C)Cc1nc[nH]n1 1325989647 JWEIQIBCPYIPQT-HTQZYQBOSA-N 282.304 -0.598 50 20 CBGD CN(C)N(C(=O)c1cncc(O)c1)[C@H]1CCS(=O)(=O)C1 1327705262 BLBXHSYBDQVCAQ-JTQLQIEISA-N 299.352 -0.107 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H](F)C(F)(F)F)N1 1329201721 OLGBHCMQJONONT-WUJLRWPWSA-N 271.170 -0.687 50 20 CBGD COC1(C)CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 1329756086 VHYGSYINGRAAGX-SECBINFHSA-N 298.343 -0.493 50 20 CBGD O=C(NNC(=O)N1CCO[C@H](C(F)F)C1)c1cn[nH]c1 1332258261 IYXSEQNAOBVUQV-ZETCQYMHSA-N 289.242 -0.270 50 20 CBGD O=C(NCC(=O)N1CC[C@H](B(O)O)C1)NCc1ccco1 1335434958 ZUWDHVMMMWFBQB-VIFPVBQESA-N 295.104 -0.846 50 20 CBGD CCO[C@H]1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 1341976442 XRUPMZKMDDTLAP-DTWKUNHWSA-N 284.316 -0.883 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H]1CN2CCN1C[C@@H]2C 1347056316 QJEQLDCOPXAJIV-IUCAKERBSA-N 256.306 -0.896 50 20 CBGD CC(C)C[C@H](N)CC(=O)NNC(=O)N1CCOCC1 1575645660 LFOCCSPRGZMMBU-JTQLQIEISA-N 272.349 -0.177 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccnc(N)c1 1579838564 AZZPMFXHLNFNJK-UHFFFAOYSA-N 260.257 -0.230 50 20 CBGD N[C@@H](Cc1ccncc1)C(=O)NNC(=O)N1CCOCC1 1580369351 YNXQWSCNESEAQC-NSHDSACASA-N 293.327 -0.976 50 20 CBGD CCCN(C(=O)c1cccc(B(O)O)c1)[C@@H](C)C(=O)O 1595830019 JESAGPFMGXZVDZ-VIFPVBQESA-N 279.101 -0.308 50 20 CBGD N#CCc1ccc(CNC(=O)NNC(=O)C(=O)O)cc1 1601076748 QNRMXIZHIUZITB-UHFFFAOYSA-N 276.252 -0.332 50 20 CBGD CC(C)(CNC(=O)NNC(=O)[C@@]1(C)CCCO1)C(=O)O 1609676017 KUYFDRHJPNMQRZ-GFCCVEGCSA-N 287.316 -0.003 50 20 CBGD N#CCOc1ccc(CNC(=O)NNC(=O)C(=O)O)cc1 1610623348 XYFURVVATJOCSM-UHFFFAOYSA-N 292.251 -0.496 50 20 CBGD COC[C@@H](C)NC(=O)NNC(=O)Cn1nc(C)cc1C 79116148 OPHWLDFOJUGRLD-SECBINFHSA-N 283.332 -0.135 50 20 CBGD COC(=O)[C@H]1C[C@H]1C(=O)NNC(=O)Cc1cccnc1 264028204 LADGNUBFGATDDV-ZJUUUORDSA-N 277.280 -0.419 50 20 CBGD O=C(NNS(=O)(=O)N1CCCCC1)c1ccc[nH]1 266035862 NRSYNIYULRNEHX-UHFFFAOYSA-N 272.330 -0.020 50 20 CBGD CNC(=O)NNC(=O)[C@@H](O)CCc1ccccc1 271103377 YMLRVCSPPVQRFU-JTQLQIEISA-N 251.286 -0.060 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H](OC)c1cnn(C)c1 281203446 LBRQNUOEBNLBME-SECBINFHSA-N 283.357 -0.211 50 20 CBGD COC(=O)C1(C(=O)NNC(=O)[C@@H]2CCCO2)CC1 294663678 OEHPAYYIFAHMCW-ZETCQYMHSA-N 256.258 -0.734 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cccc2c1OCCO2 495367786 UDVNWKKVOHAGHB-UHFFFAOYSA-N 295.251 -0.217 50 20 CBGD CCOC(=O)NNS(=O)(=O)N1CC[C@@H](C)C1 495707078 GKBXLATWPGPLDP-SSDOTTSWSA-N 251.308 -0.176 50 20 CBGD O=C(NC1(CCO)CCC1)c1ccc(B(O)O)c(F)c1 584967137 HAFIIINPRFWTIU-UHFFFAOYSA-N 281.092 -0.460 50 20 CBGD CC[C@@]1(CO)CCCN1C(=O)c1cc(B(O)O)ccc1F 584979527 WMBBNTOXQDABAY-AWEZNQCLSA-N 295.119 -0.117 50 20 CBGD OB(O)c1ccc(CNCCCNc2ncccn2)cc1 585016758 YJANFHARUPVLRI-UHFFFAOYSA-N 286.144 -0.252 50 20 CBGD OB(O)c1cccc(CNCCCc2cnccn2)c1 585029038 BHCMAKMLDRXUNL-UHFFFAOYSA-N 271.129 -0.121 50 20 CBGD OC[C@@H](CNCc1ccc(B(O)O)cc1F)[C@H]1CCOC1 585039565 UCVYASLMLGRDLL-NWDGAFQWSA-N 297.135 -0.760 50 20 CBGD O=C1CC[C@@H](CCNCc2ccc(B(O)O)cc2)N1 585040608 OEJLRIKJTCTCHX-LBPRGKRZSA-N 262.118 -0.875 50 20 CBGD C[C@@H]1O[C@H](C)C[C@@H]1CNCc1ccc(B(O)O)o1 585046319 PSPNUUIGWBJAHB-KXUCPTDWSA-N 253.107 -0.138 50 20 CBGD C[C@H](C(=O)NCB(O)O)N1CCc2ccccc2C1 585060873 GBMCESVMWZEFOH-SNVBAGLBSA-N 262.118 -0.439 50 20 CBGD CCS(=O)(=O)CCNC(=O)NNC(=O)C1CCC1 732245894 ILJAQDZZXQHQAI-UHFFFAOYSA-N 277.346 -0.448 50 20 CBGD O=C(CCCn1cncn1)NNC(=O)N1CCOCC1 733141376 HWFFSFXWWJIGGT-UHFFFAOYSA-N 282.304 -0.869 50 20 CBGD N=C1NC(=O)[C@H](CC(=O)NNC(=O)c2ccccn2)S1 745415103 GKTHSTAUGYJINN-ZETCQYMHSA-N 293.308 -0.601 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1nccn1C 755697337 DHFWLBWTVTXUPP-MRVPVSSYSA-N 287.345 -0.802 50 20 CBGD C[C@H]1C[C@H](O)CN1CC(=O)NNC(=O)C(C)(C)C 761113073 MPJZMURTWAGTBK-IUCAKERBSA-N 257.334 -0.365 50 20 CBGD CC(C)C(=O)NNC(=O)CCS(=O)(=O)N(C)C 765469638 WIUWSOYFHKGFEX-UHFFFAOYSA-N 265.335 -0.929 50 20 CBGD O=C(CN1CCCC1=O)NN=C1CCN2CCC[C@@H]12 765570204 RIXMFWSVVFCACF-NSHDSACASA-N 264.329 -0.051 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1ccc(C(N)=O)cc1F 775649613 JYFPXXCQXMBZLY-UHFFFAOYSA-N 297.290 -0.361 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)N(C)CCC#N 782479066 XVTVXKHPIZSEAW-UHFFFAOYSA-N 263.323 -0.757 50 20 CBGD C/C=C(\CC)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 788687189 DOTAXPYPYWHYIE-IPQKIJNHSA-N 274.342 -0.075 50 20 CBGD Cc1ccc(NCC(=O)NNC(=O)c2cnnn2C)cc1 799098357 FBQDVEXZDVNIKL-UHFFFAOYSA-N 288.311 -0.003 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@](C)(O)C1CC1 805578006 LRPMCPUNCQRJBR-KRTXAFLBSA-N 272.301 -0.364 50 20 CBGD CN(C)c1cccc(C(=O)NNC(=O)c2cn(C)nn2)c1 807948679 QFHIEJYFOJCIHJ-UHFFFAOYSA-N 288.311 -0.044 50 20 CBGD C=C[C@H](O)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1 814549094 ZFUUPSWLOGSQRA-NSHDSACASA-N 292.291 -0.154 50 20 CBGD CCO/C=C(\C#N)C(=O)N(CCN(C)C)CC(=O)O 820377854 LSHUHWYKCKLQHX-MDZDMXLPSA-N 269.301 -0.095 50 20 CBGD COCCN(C)NC(=O)/C=C1/SCC(=O)N1C 822844079 YUSQEGAAXLVETK-UXBLZVDNSA-N 259.331 -0.358 50 20 CBGD CCN(CCO)NC(=O)c1cn(C)nc1COC 823889368 UFILGVGFZFVGOD-UHFFFAOYSA-N 256.306 -0.475 50 20 CBGD CN(NC(=O)c1ccc(-c2nn[nH]n2)cc1)C(N)=O 826004210 NSACPMGEZZRHRV-UHFFFAOYSA-N 261.245 -0.478 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)N1 827016516 SNVLHJBRWVBBPM-JZNVJAMTSA-N 277.324 -0.296 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CCCN2C)n1 827864300 GTFXREMNYFMLTJ-LLVKDONJSA-N 279.344 -0.258 50 20 CBGD CC(C)N(CC(=O)NNC(=O)C1CC1)C1COC1 830220776 HQTWHHLXDGXQQW-UHFFFAOYSA-N 255.318 -0.347 50 20 CBGD C[C@H]1[C@@H](C)NCCN1CC(=O)NNC(=O)C1CC1 843377873 WFQYOTPGRXLIMA-BDAKNGLRSA-N 254.334 -0.774 50 20 CBGD COC(=O)c1cccc(NC(=O)NNC(=O)CO)c1OC 844775101 PSESKITWRTZYAP-UHFFFAOYSA-N 297.267 -0.373 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](CO)CCF 846718571 PYGDUODRZTZBPB-XHNCKOQMSA-N 277.296 -0.538 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H](C)n1nnnc1C(C)(C)C 854922290 DUPUOEKZWGKTRA-SSDOTTSWSA-N 299.404 -0.001 50 20 CBGD O=C(NNC(=O)c1cnn2c1OCCC2)c1cc[nH]n1 855355727 FULHPCUGMVPAJO-UHFFFAOYSA-N 276.256 -0.537 50 20 CBGD Cc1nc(C)c(C(=O)NNC(=O)Cc2cc[nH]n2)[nH]1 857118080 BYHLXIFRHIMBHY-UHFFFAOYSA-N 262.273 -0.247 50 20 CBGD CN(CCC1CC1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858696166 KFFPJJCHLMTWFT-VIFPVBQESA-N 268.317 -0.262 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCCC3(CC3)C2)N1 858699683 WLMOXDIBKWQVRY-SECBINFHSA-N 280.328 -0.118 50 20 CBGD COC(=O)c1cnn(CC(=O)NN(C)C2CC2)c1 862037984 PZLGZVSSNRMUJA-UHFFFAOYSA-N 252.274 -0.205 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C[C@@H]1CCCC[C@H]1O 863465805 GISJVFBTBIUUJD-DTWKUNHWSA-N 292.357 -0.880 50 20 CBGD O=C(COc1ccccc1F)NNC(=O)[C@H]1CCC(=O)N1 864020538 HFLBHLNDYYOSQW-SECBINFHSA-N 295.270 -0.370 50 20 CBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NN)cc1C 879349697 FYDUZOVZJNHXHY-UHFFFAOYSA-N 271.342 -0.086 50 20 CBGD OC[C@H](C[C@@H]1CCCO1)NCc1ccccc1B(O)O 895749543 SKEWXBZXLXFVHW-STQMWFEESA-N 279.145 -0.614 50 20 CBGD CN(C)CC(=O)NNC(=O)C1(c2ccccn2)CC1 896127776 APPUVBXXNGYTDS-UHFFFAOYSA-N 262.313 -0.178 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@@H]1CCN1C 925412696 HSEWVNQNYNXJGV-UWVGGRQHSA-N 288.348 -0.928 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)c1cc2n(n1)CCO2 1117700129 STIRQSQAPQEALC-UHFFFAOYSA-N 287.279 -0.326 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)c1cccn1C 1118218949 PQCAKVRZZQHLBB-BDAKNGLRSA-N 279.296 -0.220 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cn(C)nn1 1118275800 ZTXYWIKDKAOGAJ-RNFRBKRXSA-N 253.262 -0.999 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CCc2nnc(O)n2C1 1120746497 UCVPUOJZZDBOPN-ZCFIWIBFSA-N 284.345 -0.987 50 20 CBGD NC(=O)c1cc(C(=O)NNC(=O)NCC2CC2)co1 1254775111 KOYCRTOKYBQDLI-UHFFFAOYSA-N 266.257 -0.268 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)C1(CO)CCOCC1 1255740786 IDHQGVXDYGTNGS-UHFFFAOYSA-N 285.344 -0.983 50 20 CBGD CCC(=O)NNS(=O)(=O)c1cncc(C#N)c1 1261207818 SGDAMQHLVKSUMC-UHFFFAOYSA-N 254.271 -0.327 50 20 CBGD Cc1c(C(=O)NNC(=O)NCC2CC2)nnn1C 1318734887 AUGISUQZTNGFJC-UHFFFAOYSA-N 252.278 -0.522 50 20 CBGD C[C@@H](CS(C)(=O)=O)C(=O)NNc1ncccn1 1318876164 FHXWRXSISWMUQG-ZETCQYMHSA-N 258.303 -0.400 50 20 CBGD C[C@@H](C(=O)NNc1ncc(F)cn1)n1cncn1 1319899221 FJROUHMQBXSUTH-LURJTMIESA-N 251.225 -0.089 50 20 CBGD O=C(CO)NNC(=O)CCc1nnc(C2CCCC2)o1 1320087691 ZMPUFWSOXDGEDC-UHFFFAOYSA-N 282.300 -0.201 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccc2nncn2c1 1321397929 BGZAJFDYZHWDSM-UHFFFAOYSA-N 292.299 -0.290 50 20 CBGD CC(=O)c1ccc(C(=O)NNC(=O)C(=O)NC(C)C)o1 1324702547 IIQYFKVRSWNZGR-UHFFFAOYSA-N 281.268 -0.232 50 20 CBGD CO[C@@H](C)CS(=O)(=O)NNC(=O)c1cc[nH]n1 1327065634 ICWBGDLMVUQYIC-LURJTMIESA-N 262.291 -0.991 50 20 CBGD NC(=O)Cn1cc(C=NNC(=O)OCC(F)(F)F)nn1 1327659287 NSAOCMPEBNMYHE-UHFFFAOYSA-N 294.193 -0.614 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NOC2CCC2)N1 1328801192 YRRQSHBTYGNXRM-ZETCQYMHSA-N 256.262 -0.921 50 20 CBGD OB(O)[C@@H]1CCN(c2cncc(-n3cncn3)n2)C1 1329214776 KIVYGYUIPXFBET-MRVPVSSYSA-N 260.066 -0.890 50 20 CBGD CN(C)N(C(=O)Cc1ncc[nH]1)[C@@H]1CCS(=O)(=O)C1 1331188591 HFGDJCYQEJXVMJ-SECBINFHSA-N 286.357 -0.556 50 20 CBGD CCc1nnc(O)c(C(=O)NNC(=O)NC)c1CC 1340274774 WMZPRZPEDHYZLY-UHFFFAOYSA-N 267.289 -0.119 50 20 CBGD CC(C)(C)n1cc(C(=O)NNC(=O)[C@@H]2CCN2)cn1 1575291303 MJPUDOUSLHZXFS-VIFPVBQESA-N 265.317 -0.239 50 20 CBGD O=C(NNC(=O)[C@@H]1CCN1)c1ccncc1Br 1580735916 HPSRBKWJABDGFW-QMMMGPOBSA-N 299.128 -0.033 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cccc(CC(=O)O)c1 1589425036 RGAMKTJAGQZRKL-UHFFFAOYSA-N 293.279 -0.190 50 20 CBGD CCC(CC)(C(=O)O)C(=O)NNC(=O)C(=O)N1CCCC1 1589475699 HSOIDYIGHMOISI-UHFFFAOYSA-N 299.327 -0.353 50 20 CBGD C[C@@H](CC(=O)O)CC(=O)NNC(=O)[C@H]1CCCO1 1592392012 UMCRIWJSQPNRFF-HTQZYQBOSA-N 258.274 -0.186 50 20 CBGD O=C1C[C@@H](C(=O)NNc2ccccc2C(=O)O)NC(=O)N1 1602652830 GQOUEKANMFKROR-QMMMGPOBSA-N 292.251 -0.574 50 20 CBGD C[C@H](CC(=O)O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1609731876 HJWMOKNPZQFVHY-BWZBUEFSSA-N 258.274 -0.330 50 20 CBGD O=C(NCCc1cnc[nH]1)c1ccc(B(O)O)cc1F 1857791575 KHQIEKFDMGJABP-UHFFFAOYSA-N 277.064 -0.799 50 20 CBGD O=C(Cn1cc([N+](=O)[O-])cn1)NNC(=O)NC1CC1 49150630 ILIDOJOUNMDNLT-UHFFFAOYSA-N 268.233 -0.716 50 20 CBGD Cc1cc(C(=O)NNC(=O)CN(C)[C@@H]2CCSC2)[nH]n1 157909688 ZQLFCSRMTNGKJG-SECBINFHSA-N 297.384 -0.084 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)C1(NC(N)=O)CC1 271004761 YWYJNXBHJBNORM-UHFFFAOYSA-N 276.296 -0.043 50 20 CBGD C[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)C(C)(C)O 276173055 BMMFMPQOASSSEU-ZETCQYMHSA-N 283.284 -0.684 50 20 CBGD C=CCNC(=S)NNC(=O)CCn1cc([N+](=O)[O-])cn1 280904393 FDAWZGPRDDPHTC-UHFFFAOYSA-N 298.328 -0.137 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)C(C)(C)O)[nH]1 295029624 XKFZNVJPPSVDRY-UHFFFAOYSA-N 269.257 -0.667 50 20 CBGD C[C@H](C(=O)NNC(=O)N1CCOCC1)n1cccn1 299384468 PGIAXSXBQWCTCK-SECBINFHSA-N 267.289 -0.483 50 20 CBGD C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc(B(O)O)c1 584911207 HGABERBFJJYGRB-ZDUSSCGKSA-N 290.128 -0.224 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@@H](C)O1 584924416 SQZMCZAPVQJCQB-DTORHVGOSA-N 281.092 -0.245 50 20 CBGD CNC(=O)C(C)(C)CNC(=O)c1ccc(B(O)O)c(F)c1 584964025 BYAUBRYYPZKEEY-UHFFFAOYSA-N 296.107 -0.993 50 20 CBGD O=C(N[C@@H]1CCC[C@@H]1CCO)c1cc(B(O)O)ccc1F 584973895 KTEPHWAGTFAGLA-NOZJJQNGSA-N 295.119 -0.214 50 20 CBGD O=C(NC1(CF)CCOCC1)c1ccc(B(O)O)c(F)c1 584995325 MHMHCORPGLHWQM-UHFFFAOYSA-N 299.082 -0.246 50 20 CBGD COCCCN(C)CCNCc1ccc(B(O)O)o1 585027768 ZOKCSTMFIYFUIH-UHFFFAOYSA-N 270.138 -0.983 50 20 CBGD OB(O)c1ccc(CNCCCCn2ccnn2)cc1 585034657 LERBPFHQVGLTPA-UHFFFAOYSA-N 274.133 -0.472 50 20 CBGD C[C@H]1[C@@H](NCc2cccc(B(O)O)c2)CCCN1C 585035542 WBBMCOQGVFMEGP-FZMZJTMJSA-N 262.162 -0.061 50 20 CBGD CC(C)(CCNCc1cccc(B(O)O)c1)S(C)(=O)=O 585046694 VKFNOHVDCHCVMF-UHFFFAOYSA-N 299.201 -0.331 50 20 CBGD OC[C@H](CNCc1ccc(B(O)O)cc1)CC1CC1 585047085 GKPAPWBEBHDLIS-ZDUSSCGKSA-N 263.146 -0.135 50 20 CBGD CC(=O)NNC(=O)COCCNC(=O)OC(C)(C)C 732576105 OQMZOZKXZBIBOR-UHFFFAOYSA-N 275.305 -0.305 50 20 CBGD N=C1NC(=O)[C@@H](CC(=O)NNC(=O)c2ccc[nH]2)S1 742489593 LZKSDYWNKYKIJJ-ZCFIWIBFSA-N 281.297 -0.668 50 20 CBGD CC(=O)c1ccc(C(=O)NNC(=O)CO)c(F)c1 753451622 GMJJKCJXKDTJKG-UHFFFAOYSA-N 254.217 -0.218 50 20 CBGD CNC(=O)[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1ccc[nH]1 766274664 DSUOIVWEWPETRM-DTWKUNHWSA-N 293.327 -0.127 50 20 CBGD CC(C)(C(N)=O)C(=O)NNC(=O)c1ccncc1 767396814 SZXYZAXQFDKKIH-UHFFFAOYSA-N 250.258 -0.646 50 20 CBGD Cc1cc(C)nc(NC(=O)C(=O)NNC(=O)CN(C)C)c1 773540993 GEUBYZGGSZDYCO-UHFFFAOYSA-N 293.327 -0.654 50 20 CBGD Nc1nc(Cl)c(C=NNC(=O)CO)c(N2CCCC2)n1 776780359 GLJWFGUVJXWQQW-UHFFFAOYSA-N 298.734 -0.245 50 20 CBGD CCNC(=O)CNC(=O)NNc1ncncc1Cl 787751056 YWNGJBUPSDRXLT-UHFFFAOYSA-N 272.696 -0.108 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCOC1CCOCC1 787947511 RORAFDMCXKHBAU-UHFFFAOYSA-N 274.317 -0.510 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)[C@H]2CCCC(=O)N2)c1 799609434 OUSYQPHZBANQDO-LLVKDONJSA-N 286.291 -0.012 50 20 CBGD CNC(=O)NNC(=O)c1cc(F)cc2nn[nH]c12 800452225 CNJCBJQVEJASLP-UHFFFAOYSA-N 252.209 -0.329 50 20 CBGD CCN(CCO)NC(=O)Cc1nc(C2CC2)nn1C 823893281 CMBJJACSPNRIMW-UHFFFAOYSA-N 267.333 -0.420 50 20 CBGD C[C@@H]1CCCN(C(=O)C(=O)NNC(=O)[C@@H]2CCCCO2)C1 833241460 ATKLWIDPSWIWEL-MNOVXSKESA-N 297.355 -0.039 50 20 CBGD CCN1C[C@@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)CC1=O 836608593 VOHVBCNVZNTKHL-UWVGGRQHSA-N 298.343 -0.493 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc(S)[nH]1 843972261 ULBZHHQBFKJRDL-PHDIDXHHSA-N 270.314 -0.116 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CC[C@@H]2C(N)=O)o1 847554908 MDXMIXUQKGXRGR-YUMQZZPRSA-N 265.269 -0.139 50 20 CBGD COCCN(C)NC(=O)[C@@H](OC)c1cnn(C)c1 848378459 SBXRDWHRMUNAOH-JTQLQIEISA-N 256.306 -0.283 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@H]2CCO[C@@H]2CN)n1 852801412 ZUCWDBQXLZLWBD-VHSXEESVSA-N 265.317 -0.100 50 20 CBGD CNC(=S)N(C)NC(=O)CCSc1nnnn1C 854925546 HVHIYRCDTHPNQU-UHFFFAOYSA-N 289.390 -0.840 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@H]1CCC(=O)N1)C1CC1 855100784 JAPGWKIYDLXPKZ-HTRCEHHLSA-N 270.358 -0.441 50 20 CBGD CNS(=O)(=O)CC(=O)NC[C@@]1(C)C[C@H]1Br 857735108 XKEXOCCWDYQRTR-HTRCEHHLSA-N 299.190 -0.175 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2ccc(F)nc2)N1 860790826 FLUSSEYTWLSWDQ-ZETCQYMHSA-N 281.247 -0.348 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cccc2c1OCC2 861798454 DDKOWUNFVNCDEJ-UHFFFAOYSA-N 279.252 -0.053 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CSCCS2)N1 862456668 QYXCSHRHEUUNJM-BQBZGAKWSA-N 289.382 -0.739 50 20 CBGD COC[C@H](C)[C@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862463169 ZHIXUDHKQLJPPH-CIUDSAMLSA-N 271.317 -0.669 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CCN2C2CCCC2)N1 862467016 KSEXRNYIRRRCJS-MNOVXSKESA-N 294.355 -0.571 50 20 CBGD Cc1cc(=NNC(=O)CCN2C(=O)CCC2=O)cc[nH]1 862509742 SWUVITDLFCDJJA-UHFFFAOYSA-N 276.296 -0.206 50 20 CBGD CC(C)[C@@H](F)C(=O)NNC(=O)CS(C)(=O)=O 863465211 XJWGGZSJGCTRND-SSDOTTSWSA-N 254.283 -0.828 50 20 CBGD CCOC(=O)CN(C(=O)c1cccc(B(O)O)c1)C1CC1 863871512 QBLJVTPLFHDWEB-UHFFFAOYSA-N 291.112 -0.466 50 20 CBGD CCCOC(=O)CCNC(=O)c1cccc(B(O)O)c1 863874578 UWLWRKSQFZQTFY-UHFFFAOYSA-N 279.101 -0.561 50 20 CBGD COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(B(O)O)cc1 863891691 AQVATSKHGIRVNO-OLZOCXBDSA-N 277.129 -0.202 50 20 CBGD C=CCOC[C@H](NCc1ccc(B(O)O)cc1)C(=O)OC 863891746 YHIFCJDMAHJSCW-ZDUSSCGKSA-N 293.128 -0.800 50 20 CBGD C#CCCCC(=O)NNC(=O)c1cc(OC)n(C)n1 887146514 ANDWVELHGHISTF-UHFFFAOYSA-N 264.285 -0.007 50 20 CBGD Cn1cc(C(=O)NNC(=O)C2CCCC2)n(C)c1=O 900175537 ZETZFABTEWHOKI-UHFFFAOYSA-N 266.301 -0.325 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H](C)NC(=O)c1ccoc1 910170463 LVSPZQGDNPBIHK-RKDXNWHRSA-N 269.301 -0.258 50 20 CBGD COC(=O)c1cc(C(=O)NN(C)C[C@@H](C)O)n(C)n1 910184077 QKYIWEAYKTUXGI-SSDOTTSWSA-N 270.289 -0.836 50 20 CBGD COC1(CC(=O)NNC(=O)CN2CCCC2=O)CCC1 913733089 VKAHRBSMTINXAE-UHFFFAOYSA-N 283.328 -0.285 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)Cc1cc[nH]n1 1116582024 XYFOEMBZJDVMIN-ZETCQYMHSA-N 267.289 -0.986 50 20 CBGD CC(C)(O)CC(=O)NNc1ccc(C(N)=O)nn1 1116875525 JAJGUIUCVCIRKE-UHFFFAOYSA-N 253.262 -0.820 50 20 CBGD O=C(CN1CCC(=O)NC1=O)NNc1nccnc1Cl 1318503006 XLLFDZSSEOQPMH-UHFFFAOYSA-N 298.690 -0.485 50 20 CBGD CNC(=O)NNC(=O)c1cc(C)ccc1S(N)(=O)=O 1319517435 JSYKTUJGNBKDJA-UHFFFAOYSA-N 286.313 -0.784 50 20 CBGD Cc1ccnc(NNC(=O)CN2CCC(=O)NC2=O)c1 1319562085 NTFVUNYEOWFMJN-UHFFFAOYSA-N 277.284 -0.225 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@]2(F)CCOC2)CC1 1323045776 SKLSPZJUWBLGJX-NSHDSACASA-N 274.296 -0.897 50 20 CBGD COC[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1325975932 LYGJRXAXNKQBSQ-IWSPIJDZSA-N 259.306 -0.223 50 20 CBGD Cc1nc(O)[nH]c1C(=O)NNC(=S)NC(C)C 1327067584 HOYHNOFVLOYAEM-UHFFFAOYSA-N 257.319 -0.059 50 20 CBGD CN(C)N(C(=O)c1cncc(O)c1)[C@@H]1CCS(=O)(=O)C1 1327705263 BLBXHSYBDQVCAQ-SNVBAGLBSA-N 299.352 -0.107 50 20 CBGD Cn1ccnc(NNC(=O)[C@@H]2CCc3nccn3C2)c1=O 1331002133 JKDXZSHKMYEDDJ-SECBINFHSA-N 288.311 -0.318 50 20 CBGD CC1(C(=O)NNC(=O)CS(C)(=O)=O)CC(F)(F)C1 1332372139 FUFLLOLNAXEBOP-UHFFFAOYSA-N 284.284 -0.386 50 20 CBGD Cn1nncc1NNC(=O)c1cnc(Cl)n1C 1334514641 MPHSWCHBNTXKLK-UHFFFAOYSA-N 255.669 -0.041 50 20 CBGD Cn1ccnc(NNC(=O)C[C@H]2CCCC(=O)N2)c1=O 1347209427 IZJFLZFMRKMKBT-MRVPVSSYSA-N 279.300 -0.718 50 20 CBGD CC(C)[C@H]1C[C@@H](C(=O)NNC(=O)C(=O)NC2CC2)CCO1 1351934914 MQBIISRXGCMWFY-GXSJLCMTSA-N 297.355 -0.136 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1CN2CCN1C[C@@H]2C 1352293417 YOIDSDPURIJEFP-UWVGGRQHSA-N 292.343 -0.683 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNC(=O)NCCCOC 1357825043 AKFVHACVEIKBNW-JTQLQIEISA-N 288.348 -0.926 50 20 CBGD Cn1ncc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c1N 1549319624 IFDLMGFKLBAMCC-WDEREUQCSA-N 292.343 -0.684 50 20 CBGD CC(C)(N)CC(=O)NCCSS(C)(=O)=O 1573483915 ZXBJEEDVFMZTKF-UHFFFAOYSA-N 254.377 -0.077 50 20 CBGD Cc1csc(CCCC(=O)NNC(=O)CN)n1 1579836218 OGDDOHXTPXZWDA-UHFFFAOYSA-N 256.331 -0.120 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CCN2)n2cccc21 1580843615 KOCDXMLKMCYWDC-PSASIEDQSA-N 276.296 -0.485 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cccnc1C(=O)O 1589425102 WVJTXGHIXHFWCT-UHFFFAOYSA-N 280.240 -0.724 50 20 CBGD CC(C)CN1CC[C@@H](CNC(=O)NNC(=O)C(=O)O)C1 1591356761 NKUXAWWSUOPYGI-VIFPVBQESA-N 286.332 -0.621 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)N2CC(C(=O)O)C2)cn1 1594535992 AWOOGQBYINBQFR-MBXJOHMKSA-N 260.253 -0.130 50 20 CBGD N#CC1=CCN(CCS(=O)(=O)CC(=O)O)CC1 1594605920 LYKCUPLXMJXIPA-UHFFFAOYSA-N 258.299 -0.359 50 20 CBGD CN(C)C(=O)/C=C/C(=O)NNc1ccc(C(=O)O)cn1 1598121608 JYVJISYOSKHVHA-AATRIKPKSA-N 278.268 -0.133 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc(C(=O)O)cc1 1601330331 SGIPVEIQMNXFRD-UHFFFAOYSA-N 253.214 -0.470 50 20 CBGD CN(NC(=O)Cc1ccccc1C(=O)O)C(N)=O 1604194718 DBZKCKKJVUZTLC-UHFFFAOYSA-N 251.242 -0.031 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CC=CC1)N1CCOCC1 1605814822 VEDWPNAGOMNYMT-UHFFFAOYSA-N 283.284 -0.520 50 20 CBGD O=C(CN1CSCC1=O)NNC(=O)c1cccnc1 68764910 MVBVTPDHLATKJC-UHFFFAOYSA-N 280.309 -0.625 50 20 CBGD CCNC(=O)NNC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 139266508 CRFJSJSNFRKNCW-DTORHVGOSA-N 294.311 -0.712 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)NC2CCCCC2)C1 173615314 IQIKFTCRKCQVKU-NSHDSACASA-N 284.360 -0.020 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]1C1CC1)C(=O)N1CCCC1 175915386 DPCOCJJFXAYVSO-VHSXEESVSA-N 265.313 -0.198 50 20 CBGD COC(=O)c1ccc(NNC(=O)CN(C)C(C)=O)nc1 270407587 XDOQBTRUEJWTBC-UHFFFAOYSA-N 280.284 -0.210 50 20 CBGD C[C@@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)C(C)(C)O 276328639 XTVWCVJWNWHMLT-SSDOTTSWSA-N 273.333 -0.545 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@](C)(O)C1CC1 288561588 ZKNVHXNGJHYQJZ-GFCCVEGCSA-N 251.286 -0.053 50 20 CBGD C[C@H]1CC(=O)NCCN1S(=O)(=O)CBr 371699731 JNXNAZLJJLMNIK-LURJTMIESA-N 285.163 -0.121 50 20 CBGD CN(CC(=O)NNC(=O)c1ccccc1)C1CC(N)C1 384733893 KHRDWQKVKUJQMT-UHFFFAOYSA-N 276.340 -0.131 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1CCn2cncc2C1 584910569 CNYFXKHVVGHDTJ-JTQLQIEISA-N 285.112 -0.236 50 20 CBGD CC(C)N1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC1=O 584939040 QMGUAFGRPNBOMN-LBPRGKRZSA-N 290.128 -0.895 50 20 CBGD C[C@@H]1[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)CCCN1C 584973064 KSGCKWLCLSKKRU-NOZJJQNGSA-N 294.135 -0.282 50 20 CBGD C[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H](C(N)=O)C1 584973387 HNWAJHKEJVJSOK-BXKDBHETSA-N 290.128 -0.908 50 20 CBGD COC[C@H]1CCCN1C(=O)c1cccc(B(O)O)c1 585010714 XYOLUXWNAHUSDN-GFCCVEGCSA-N 263.102 -0.383 50 20 CBGD CC[C@H](C)[C@](C)(O)CNCc1ccc(B(O)O)o1 585024103 QIEAPWZGWFXJRA-JOYOIKCWSA-N 255.123 -0.154 50 20 CBGD CCO[C@@H]1COCC[C@@H]1NCc1ccc(B(O)O)o1 585034358 IJQJHSRQFRTWFW-WDEREUQCSA-N 269.106 -0.757 50 20 CBGD OC[C@@H](CNCc1ccc(B(O)O)cc1)[C@H]1CCOC1 585039246 PQJPEXNWWQSFSI-QWHCGFSZSA-N 279.145 -0.899 50 20 CBGD OC[C@H](NCc1ccc(B(O)O)cc1F)[C@@H]1CCCO1 585039558 WUMRMLDSYOEWTP-STQMWFEESA-N 283.108 -0.865 50 20 CBGD CC(C)(C)N1CC[C@@H](NCc2ccccc2B(O)O)C1=O 585047409 BTKYABNPFMDFLK-CYBMUJFWSA-N 290.172 -0.145 50 20 CBGD C[C@](CO)(CCF)NCc1ccc(B(O)O)cc1 585049855 LKXCKHKMVTUKAF-GFCCVEGCSA-N 255.098 -0.433 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NNC1=N[C@H]2C=C[C@H]1C2 739414421 ZBBIGCIWXVDETD-SRVKXCTJSA-N 278.356 -0.068 50 20 CBGD COCCOC[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 744417671 VWQLATZXNBJXOU-LLVKDONJSA-N 299.371 -0.471 50 20 CBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)N(C)CC 746055651 YQIVHDAUPYPMHZ-UHFFFAOYSA-N 294.377 -0.892 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(CC)[C@@H](C)C1 754385983 KORJNOUFORSDED-WDEREUQCSA-N 270.377 -0.042 50 20 CBGD COC(=O)[C@H](C)Oc1ccc(C=NNC(=O)C(N)=O)cc1 758357854 BZKXMBCVSJCBEX-QMMMGPOBSA-N 293.279 -0.438 50 20 CBGD COCCOCCC(=O)NNC(=O)c1cc(C)[nH]n1 768276804 PUQVPFJJNVAQHR-UHFFFAOYSA-N 270.289 -0.468 50 20 CBGD O=C(Cc1ccc(F)cc1)NNC(=O)c1nc[nH]n1 772708931 SYDPQTSYPAKMJM-UHFFFAOYSA-N 263.232 -0.053 50 20 CBGD CC[C@]1(CO)CCCN1CC(=O)NNC(=O)C1CC1 784389949 UDPUSCVPYSFOSH-CYBMUJFWSA-N 269.345 -0.219 50 20 CBGD COc1ccc(NC(=O)NNC(=O)[C@H](C)NC(N)=O)cc1 802054867 WYFSQXPRLSYXGO-ZETCQYMHSA-N 295.299 -0.095 50 20 CBGD CC(C)(O)C(=O)NNc1ccc(-n2ccnc2)nn1 804958244 PNCAQLOEXDSVDL-UHFFFAOYSA-N 262.273 -0.124 50 20 CBGD COCCCNC(=O)NN=Cc1cn(C)nc1O 814219161 KPWAAYJNMNOELL-UHFFFAOYSA-N 255.278 -0.205 50 20 CBGD CN(NC(=O)CNS(=O)(=O)c1cccnc1)C1CC1 822434645 YGQDZRXKIRUHDA-UHFFFAOYSA-N 284.341 -0.515 50 20 CBGD CCN(CCO)NC(=O)c1nccn2cc(C)nc12 823879406 LONNJQOAQYGZEH-UHFFFAOYSA-N 263.301 -0.003 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCCCS1(=O)=O 823934245 DZZSJSDOOQJZBM-IUCAKERBSA-N 264.347 -0.703 50 20 CBGD CO[C@@H]1COC[C@H]1NC(=O)NNc1ncccn1 827919185 DWVDWLDMGCGAKW-HTQZYQBOSA-N 253.262 -0.484 50 20 CBGD O=C(CN1CC[C@@H]2OCC[C@@H]2C1)NNC(=O)C1CC1 829598544 IKYFIRXKJNMQAS-MNOVXSKESA-N 267.329 -0.345 50 20 CBGD CC(C)(C)n1nnc(CC(=O)NNc2cnccn2)n1 832394780 BWWYGRTUIPLMJL-UHFFFAOYSA-N 276.304 -0.096 50 20 CBGD CCOC(=O)[C@H](CC(=O)NNC(=O)C(C)(C)O)C(C)=O 832754591 MUPLZSBXYUGLIO-MRVPVSSYSA-N 288.300 -0.937 50 20 CBGD Cc1[nH]c(C(=O)NN(C)C(N)=O)c(C)c1C(=O)O 833740208 PIGOQCMVHQIPLY-UHFFFAOYSA-N 254.246 -0.015 50 20 CBGD COCCCOCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843663971 ZZODRKMOLSBDML-NXEZZACHSA-N 274.317 -0.388 50 20 CBGD CCN(CC(=O)NNC(=O)C1CC1)c1cnn(C)c1 847078294 YUHISDFPERXAIO-UHFFFAOYSA-N 265.317 -0.196 50 20 CBGD Cc1nc(O)[nH]c1C(=O)NNC(=O)[C@H]1CCCCO1 848157820 LZIFHSYNQSARHC-SSDOTTSWSA-N 268.273 -0.246 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCn2cncc2C1 852067338 XWXMVBVGMBCJQD-VIFPVBQESA-N 265.317 -0.355 50 20 CBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)C(C)C 854213766 BSDDREGYDDEPSG-ZETCQYMHSA-N 265.335 -0.882 50 20 CBGD Cn1cc([C@@H](O)C(=O)NNC(=S)NCC2CCC2)cn1 855090137 QHHVRCBNYBZPGM-SNVBAGLBSA-N 297.384 -0.251 50 20 CBGD CCOCCn1cc(C(=O)NNC(=O)c2cc[nH]n2)cn1 857305910 SBLZXJAEYLPRQE-UHFFFAOYSA-N 292.299 -0.283 50 20 CBGD CCO[C@@H](C(=O)NNC(=O)C(=O)NC1CC1)C1CC1 858168100 NGMWWOUKLPVEGZ-SECBINFHSA-N 269.301 -0.773 50 20 CBGD Cc1nn(C)c(C)c1CC(=O)NNC(=O)c1cn[nH]c1 862473101 FGSCCZQAFPIHBH-UHFFFAOYSA-N 276.300 -0.236 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CS(C)(=O)=O)c1F 863462038 DEGUNMXUXWNLQC-UHFFFAOYSA-N 288.300 -0.060 50 20 CBGD Cc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 863971935 KBULKKBEMRJXHW-JTQLQIEISA-N 291.307 -0.200 50 20 CBGD CCN1C[C@@H](C(=O)NNC(=O)C2CCOCC2)CC1=O 883060901 AYBNBNXCNSMMHS-JTQLQIEISA-N 283.328 -0.571 50 20 CBGD OC[C@@H](C[C@H]1CCCO1)NCc1cccc(B(O)O)c1 895749199 PMYKJYGAURDRST-ZIAGYGMSSA-N 279.145 -0.614 50 20 CBGD Cn1cnnc1SCC(=O)NNC(=O)[C@@H]1CCCCO1 905851862 CVVMGYUPMCDPRK-QMMMGPOBSA-N 299.356 -0.376 50 20 CBGD C[C@H]1CN(c2ccccc2C=NNC(=O)C(N)=O)CCO1 915934839 JQAYDHQDPPRSOC-JTQLQIEISA-N 290.323 -0.153 50 20 CBGD C[C@@H]1CN(c2ccccc2C=NNC(=O)C(N)=O)CCO1 915934840 JQAYDHQDPPRSOC-SNVBAGLBSA-N 290.323 -0.153 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1cc(C2CC2)[nH]n1 920435022 APTDIRNLGGQLRT-UHFFFAOYSA-N 291.311 -0.330 50 20 CBGD O=C(NCCn1cncn1)NNC(=O)c1ccc[nH]1 1116000558 NXEUBSJSCSYUCN-UHFFFAOYSA-N 263.261 -0.750 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@@H](C)CS(C)(=O)=O 1116189066 ZZFPOVCNFQBLCK-ZETCQYMHSA-N 265.335 -0.594 50 20 CBGD O=C(NNc1cccnn1)c1ccc2nnnn2c1 1116568839 XZFOBNMFRQJAPF-UHFFFAOYSA-N 256.229 -0.329 50 20 CBGD O=C1N[C@H](C(=O)NNC(=O)c2ccc[nH]2)CCO1 1118860649 VTDTYLGXWAVGGF-ZETCQYMHSA-N 252.230 -0.726 50 20 CBGD CC1CC(C#N)(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)C1 1252868324 FTLBIHIZJGIGEK-XEVUQIKYSA-N 299.352 -0.492 50 20 CBGD N#Cc1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c[nH]1 1254294005 FQODGGSULPVLCH-SSDOTTSWSA-N 296.308 -0.918 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@H]1CCCC(=O)N1 1256575030 GQEFXSFIOCNVTE-SNVBAGLBSA-N 276.296 -0.560 50 20 CBGD O=C(NNC(=O)c1cnn2ccccc12)C(=O)NC1CC1 1318360659 WSUDIBJPUJXIHB-UHFFFAOYSA-N 287.279 -0.626 50 20 CBGD O=C(NN=CC[C@H]1CCOC1)N[C@@H]1CCS(=O)(=O)C1 1320399782 VPBHHRSDNAJWCB-VHSXEESVSA-N 289.357 -0.115 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccnc(C)n1 1321905879 LQENDBPIPQPQNR-QMMMGPOBSA-N 299.356 -0.437 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCn1cccn1 1326279070 IEQLFDQOJCKKNA-NXEZZACHSA-N 281.316 -0.362 50 20 CBGD O=C(NCc1ncccn1)NNC(=O)[C@H]1CCCCO1 1330096858 BIMBZEHTCQPLIF-SECBINFHSA-N 279.300 -0.124 50 20 CBGD O=C(NNC(=O)N1C[C@H]2COC[C@H]2C1)c1ncccn1 1332314314 UGWGTIGIINUETI-DTORHVGOSA-N 277.284 -0.591 50 20 CBGD O=C(Cn1cnc([N+](=O)[O-])n1)NNC(=O)CC(F)(F)F 1347806297 NINKBFHDYLMJMA-UHFFFAOYSA-N 296.165 -0.714 50 20 CBGD COC(=O)C[C@@H]1CCCN1C(=O)NNC(=O)c1cn[nH]c1 1348122233 GHIOREGHEVEUDF-VIFPVBQESA-N 295.299 -0.208 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)[C@H]1CCCNC1 1580735719 DLNKXMSMRXGWNA-UKKRHICBSA-N 279.340 -0.251 50 20 CBGD C[C@H](CC(=O)O)NC(=O)c1cc(B(O)O)ccc1F 1599888409 ORXYTIJUUFQUBV-ZCFIWIBFSA-N 269.037 -0.902 50 20 CBGD Cn1c(C(=O)O)ccc1C(=O)NNC(=O)C1CCOCC1 1600904507 YZBBJADBCJITAM-UHFFFAOYSA-N 295.295 -0.089 50 20 CBGD COc1cccc(C(=O)NNC(=O)COCC(=O)O)c1O 1604856858 DXQGKMRITBPQPV-UHFFFAOYSA-N 298.251 -0.737 50 20 CBGD Nc1nccnc1C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1606456786 ULYUWZZFFSUBSX-UHFFFAOYSA-N 298.270 -0.609 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1c[nH]c(C(=O)O)c1 1607939143 KBXTZYQXTKWGCI-UHFFFAOYSA-N 277.240 -0.181 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1c[nH]c(C(=O)O)c1 1609880077 VKRHAMUEYQOESO-POYBYMJQSA-N 281.268 -0.101 50 20 CBGD O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1ccccn1 7909918 LDRALLUXRKYQLR-VIFPVBQESA-N 297.336 -0.333 50 20 CBGD C#CCNC(=O)NNC(=O)[C@H]1COc2ccccc2O1 48845559 GMCGNIKXSUGNPO-LLVKDONJSA-N 275.264 -0.210 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])s1 113423953 ZDYRGFUDJJVJOY-UHFFFAOYSA-N 272.286 -0.021 50 20 CBGD CN(NC(=O)CCn1cnc2ccccc2c1=O)C(N)=O 181057783 WDSXWZJYDPZEBO-UHFFFAOYSA-N 289.295 -0.172 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)NCc2ccco2)C1 266821414 IBZUFYCSODRFJR-JTQLQIEISA-N 282.300 -0.559 50 20 CBGD COCCO[C@@H](C)C(=O)NN[C@@H](C(N)=O)c1ccccc1 267041909 CVGUYUNMHBZJGW-CMPLNLGQSA-N 295.339 -0.115 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1Cc2ccccc2C(=O)O1 276262916 NPLRBKWPAPQMDS-JTQLQIEISA-N 292.291 -0.314 50 20 CBGD Cc1ncc(S(=O)(=O)NNC(=O)[C@@H]2CCCO2)s1 292117280 QZVHUNQHPMQSTR-ZETCQYMHSA-N 291.354 -0.060 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H](C)CN1CCOCC1 298640400 DAXDSWXEJNQAQU-JTQLQIEISA-N 286.401 -0.364 50 20 CBGD CC(C)(C)n1nnc(C(=O)Nc2cccc(B(O)O)c2)n1 584911559 JEPFZHXSLFJKDC-UHFFFAOYSA-N 289.104 -0.640 50 20 CBGD CC[C@@H](O)CCCNC(=O)c1cccc(B(O)O)c1 584953597 FAQAHVZQMFOVNM-GFCCVEGCSA-N 265.118 -0.353 50 20 CBGD Cc1cn2c(n1)CC[C@H](NCc1ccc(B(O)O)o1)C2 585020397 VKJMYEKUARJLRZ-JTQLQIEISA-N 275.117 -0.431 50 20 CBGD OB(O)c1ccc(CNC[C@H](O)C(F)(F)F)cc1 585020874 BOOVRDZIBAANFG-VIFPVBQESA-N 263.024 -0.621 50 20 CBGD CN1CCC(CNCc2ccc(B(O)O)cc2)CC1 585022401 NJJMCCCICIEXTA-UHFFFAOYSA-N 262.162 -0.202 50 20 CBGD O=C(NCB(O)O)c1cccc(NC(=O)C2CC2)c1 585058468 ZXUDKBYFFVOMMH-UHFFFAOYSA-N 262.074 -0.223 50 20 CBGD COc1ccnc(NNC(=O)[C@@H](C)N2C(=O)CCC2=O)n1 727729917 YLEHWYMHRYBKBL-SSDOTTSWSA-N 293.283 -0.534 50 20 CBGD N=C1NC(=O)[C@H](CC(=O)NNC(=O)C2CCCC2)S1 742532574 FWMSFLVQMLFMFF-ZETCQYMHSA-N 284.341 -0.120 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cc(C(N)=O)c[nH]2)n[nH]1 768277017 ACWUGQHECSUTFO-UHFFFAOYSA-N 276.256 -0.780 50 20 CBGD CCC[C@](C)(O)C(=O)NNC(=O)N1CCOCC1 770949875 YFBNOZLPOLTARM-NSHDSACASA-N 259.306 -0.390 50 20 CBGD CCCNC(=O)NNS(=O)(=O)N1CC[C@@H](C)C1 777927500 MJAIENOQHFYTPK-MRVPVSSYSA-N 264.351 -0.213 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCCC(=O)NC 781233231 YPYNMLDIEPRELU-QMMMGPOBSA-N 287.316 -0.608 50 20 CBGD Cn1nc([C@H]2CCCO2)cc1NC(=O)NNC(=O)CO 788726871 CJPCAKLUBPTDSB-MRVPVSSYSA-N 283.288 -0.583 50 20 CBGD COC(=O)C[C@@H]1CCC(=NNC(=O)C(N)=O)[C@H]1C 794459929 NDRVITFMKVLJPG-BQBZGAKWSA-N 255.274 -0.447 50 20 CBGD CC(C[C@H]1CCC(=O)N1)=NNC(=O)C(=O)NC1CC1 811636546 IMTJFPMNIZTJJU-SECBINFHSA-N 266.301 -0.574 50 20 CBGD CO[C@](C)(C(=O)NNC(=O)N1CCOCC1)C1CC1 813427715 KYQSJBMIZHKYKP-LBPRGKRZSA-N 271.317 -0.126 50 20 CBGD Cn1c(C(=O)NNc2nc[nH]n2)ccc1[N+](=O)[O-] 816631702 AWLWWKUIUCQQDT-UHFFFAOYSA-N 251.206 -0.192 50 20 CBGD COCCN(C)NC(=O)c1cn(Cc2ccccn2)nn1 819745256 VJENZNBKSKXOKM-UHFFFAOYSA-N 290.327 -0.056 50 20 CBGD CCN(CCO)NC(=O)COCc1ncc(C)o1 823884743 HXFWINFKFZUTIA-UHFFFAOYSA-N 257.290 -0.155 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 823977520 YTOPPJGVTQCHFF-DTWKUNHWSA-N 255.318 -0.659 50 20 CBGD C[C@H]1COCCN1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 827267221 GPLUHTOSMJZYBR-IVZWLZJFSA-N 271.317 -0.127 50 20 CBGD COCCN(C)NC(=O)c1ccc2c(c1)C(=O)NC2=O 837624068 RSHGZPFJSYAODH-UHFFFAOYSA-N 277.280 -0.207 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(=O)n(C)c1 843641270 BHEQEGWLQGZAFT-SCZZXKLOSA-N 279.296 -0.429 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(C(N)=O)c1 843971729 DIFWFVGHUSRRBJ-LDYMZIIASA-N 291.307 -0.029 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(C(=O)NC2CC2)CC1 843976863 ZMVOOLLRBMRORB-PSASIEDQSA-N 295.339 -0.382 50 20 CBGD C[C@@]1(CCC(=O)NNC(=O)c2cc[nH]n2)CCC(=O)N1 855357228 FEGDIAZDRHOUMK-LBPRGKRZSA-N 279.300 -0.380 50 20 CBGD C[C@H]1[C@H](C)CCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858696400 KQSYTHRDUFQHKD-VGMNWLOBSA-N 268.317 -0.264 50 20 CBGD O=C(C[C@@H]1CCCC[C@H]1O)NNC(=O)[C@@H]1CCC(=O)N1 862458546 GKOPGSWRUJVAQW-LPEHRKFASA-N 283.328 -0.646 50 20 CBGD O=C1CCCCC[C@@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 862462918 UJVWJEHMWJWPBP-KOLCDFICSA-N 295.339 -0.048 50 20 CBGD C[C@@H]1CC(=NNC(=O)[C@@H]2CCC(=O)N2)CN1C1CC1 863148664 HLIJNMYAJXXWLT-KCJUWKMLSA-N 264.329 -0.006 50 20 CBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1cc2n(n1)CCC2 863151625 PSBZWLWNSMGKAJ-SNVBAGLBSA-N 275.312 -0.052 50 20 CBGD Cc1cc(C)c(C(=O)NNC(=O)CS(C)(=O)=O)o1 863463161 UETXFLMFRLYWDH-UHFFFAOYSA-N 274.298 -0.298 50 20 CBGD CC(C)N(C)CC(=O)NNC(=O)C1CCOCC1 883062353 ZIKGMNQUXCPIAC-UHFFFAOYSA-N 257.334 -0.099 50 20 CBGD Cc1ncc(C(=O)NNC(=O)N2CCOCC2)n1C 900426668 HWAZKIMUMPWMTD-UHFFFAOYSA-N 267.289 -0.585 50 20 CBGD COCCCNC(=O)NNC(=O)c1c2c(nn1C)CCC2 906418575 ZZCRPFVBUXJTPF-UHFFFAOYSA-N 295.343 -0.111 50 20 CBGD C[C@@]1(C(=O)NCC(=O)NCC#N)C[C@@H]1Br 908176487 PVLIUWYLVBQPPH-IMTBSYHQSA-N 274.118 -0.084 50 20 CBGD CC(C)(C)OCC(=O)NNC(=O)CN1CCCC1=O 913732250 NTDBZVDRRJKPJF-UHFFFAOYSA-N 271.317 -0.429 50 20 CBGD CS(=O)(=O)NCCNC(=O)NNc1ccccn1 916294104 AQYSBTAFXZQLCF-UHFFFAOYSA-N 273.318 -0.743 50 20 CBGD CCCNC(=O)NNC(=O)[C@H]1CC(=O)N(CC)C1 921039259 LWWNMFFYJHFPBY-QMMMGPOBSA-N 256.306 -0.405 50 20 CBGD Nc1cnnc(NNC(=O)[C@H]2CCCC(=O)N2)c1Cl 1116910524 IHEZJRYCOKIRSB-ZCFIWIBFSA-N 284.707 -0.176 50 20 CBGD Cn1c2c(ccc1=O)C(=NNC(=O)CCO)CCC2 1117742836 WWYVMJXJQRYCHM-UHFFFAOYSA-N 263.297 -0.076 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CC(c2cnn(C)c2)=NO1 1120663899 PJOJMUBVZHNMDO-LDYMZIIASA-N 281.316 -0.743 50 20 CBGD CCN(CC(OC)OC)C(=O)c1ccc(B(O)O)cc1 1123904945 HTAKTSCZPVLDRQ-UHFFFAOYSA-N 281.117 -0.553 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)NCCn1cncn1 1251664939 TVYHVZPUBZRUIC-UHFFFAOYSA-N 280.210 -0.439 50 20 CBGD Cn1ccc(C=NNC(=O)Cc2cc(O)nc(O)n2)c1 1252607600 YDPFUFXRLALCTH-UHFFFAOYSA-N 275.268 -0.081 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCNC(=O)C1 1261497950 PMLXEVHXURNZDK-YIZRAAEISA-N 269.301 -0.915 50 20 CBGD COC(=O)CN(CCN1CCOCC1)C(=O)CCl 1319674035 ARYFQHXGHNRPSV-UHFFFAOYSA-N 278.736 -0.441 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccnc(-n2cncn2)c1 1319940613 RXLPJEVELBFWGU-UHFFFAOYSA-N 289.299 -0.032 50 20 CBGD CNC(=O)NNC(=O)C(=O)Nc1ccc(OC)cc1 1322944919 SJQOLEPKGHOOBA-UHFFFAOYSA-N 266.257 -0.406 50 20 CBGD C[C@@H](CO)CCCNC(=O)NNC(=O)c1cnn(C)c1 1323053197 XRKIDCVJZNCAHB-SECBINFHSA-N 283.332 -0.227 50 20 CBGD CCNC(=O)CNC(=O)NNC(=O)Cc1ccncc1 1327497975 CCGMEEQAOZYXRG-UHFFFAOYSA-N 279.300 -0.909 50 20 CBGD CCn1nc(C)c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1C 1331802890 JRYXXTVITLPUDQ-SECBINFHSA-N 293.327 -0.441 50 20 CBGD COCCOCC(=O)NNC(=O)/C=C\c1cn(C)cn1 1333526208 XOMYQVMQARMTHW-ARJAWSKDSA-N 282.300 -0.756 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCc2cccnc2)cn1 1339211229 AHBNUHYTSJKJKT-UHFFFAOYSA-N 274.284 -0.041 50 20 CBGD O=C(CCO)NNC(=O)Nc1cccc2c1CNC2=O 1346446361 VQGIWHCPPJBGAD-UHFFFAOYSA-N 278.268 -0.535 50 20 CBGD CCC1(Cn2cc(C(=O)NNc3nc[nH]n3)nn2)COC1 1351716581 LCAOUHGCPQAPNO-UHFFFAOYSA-N 292.303 -0.420 50 20 CBGD N#CC1=CCN(C(=O)c2cn(CC(=O)O)nn2)CC1 1574481242 XKTXXVSAQWWQHQ-UHFFFAOYSA-N 261.241 -0.341 50 20 CBGD N[C@H](C(=O)NNC(=O)c1ncon1)c1c(F)cccc1F 1580115052 KAWMQSHTPUBROK-QMMMGPOBSA-N 297.221 -0.191 50 20 CBGD C[C@](NC(=O)c1cccc(B(O)O)c1)(C(=O)O)C1CC1 1593175723 YJTNDDHRIFRQTE-CYBMUJFWSA-N 277.085 -0.651 50 20 CBGD CN(CCCC(=O)O)C(=O)c1cccc(B(O)O)c1 1593747054 KZJRNQCGQADHHU-UHFFFAOYSA-N 265.074 -0.697 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@]1(C(=O)O)CC1(C)C 1593797309 GQMXMWKHSBKYNU-SNVBAGLBSA-N 259.331 -0.045 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1603699410 JMEFWHGDASHRRC-ZCFIWIBFSA-N 265.277 -0.848 50 20 CBGD CN1CCN(S(=O)(=O)CCl)C[C@H](C(=O)O)C1 1606245053 QTNWGODXWWEJBM-SSDOTTSWSA-N 270.738 -0.539 50 20 CBGD CC(=O)NNC(=O)CNC(=O)c1ccc(F)cc1F 46643293 KKIMEWWWVQXOON-UHFFFAOYSA-N 271.223 -0.138 50 20 CBGD Cc1cc(C(=O)NNC(=O)Cn2nc(C)cc2C)[nH]n1 48822241 XDSQRTTZKIGFOV-UHFFFAOYSA-N 276.300 -0.007 50 20 CBGD CNc1snc(C)c1C(=O)NNC(=O)CN(C)C 113427374 RQIYAYAWGFBKEJ-UHFFFAOYSA-N 271.346 -0.184 50 20 CBGD Cc1nc(C(=O)NNC(=O)Cc2cc[nH]n2)ccc1C#N 186152768 APLGXFUZXPQBJQ-UHFFFAOYSA-N 284.279 -0.012 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCN(CC)CCO 274604847 XTWPLEURRJXFFU-ZHACJKMWSA-N 255.318 -0.139 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1ccc(OC)cn1 275605137 PZXVRNPMUBHLSV-UHFFFAOYSA-N 282.300 -0.362 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2CCCCC(=O)N2)n1 279043868 QMOIELNSUKJVJC-QMMMGPOBSA-N 279.300 -0.013 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1C[C@]12CCOC2 376371165 UMGJVGHQLZYSMO-CABZTGNLSA-N 269.301 -0.514 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](N2CCCC2)C1 584940685 YQECIJBGIGLKGP-CQSZACIVSA-N 288.156 -0.323 50 20 CBGD CC[C@@H](C[C@H](C)CO)NC(=O)c1ccc(B(O)O)cc1 584962487 HHSLYGOZEADKKY-GWCFXTLKSA-N 279.145 -0.107 50 20 CBGD O=C(N[C@H](CO)CC1CCC1)c1cccc(B(O)O)c1 584991710 GHPMDIPBVHQIIU-ZDUSSCGKSA-N 277.129 -0.353 50 20 CBGD COCCN(CCNCc1cccc(B(O)O)c1)C1CC1 585020449 XOYALDVWVAVQNZ-UHFFFAOYSA-N 292.188 -0.433 50 20 CBGD CCC(CC)[C@H](O)CNCc1ccc(B(O)O)o1 585029322 QMAIJXIPENDLOL-LLVKDONJSA-N 255.123 -0.154 50 20 CBGD C[C@@H]1[C@@H](NCc2ccccc2B(O)O)CCCN1C 585033966 DFYASEZGRWUCIB-RISCZKNCSA-N 262.162 -0.061 50 20 CBGD O=C1CCC[C@H](CNCc2ccc(B(O)O)cc2)N1 585039207 QCGJZLDBKFZLLA-GFCCVEGCSA-N 262.118 -0.875 50 20 CBGD OB(O)c1ccc(CN[C@@H]2C[C@@H](O)C23CCC3)o1 585046797 BXNDCFQBPMHYSZ-NXEZZACHSA-N 251.091 -0.648 50 20 CBGD CC(C)n1ncc2cc(C(=O)NCB(O)O)cnc21 585061140 LWIMVFYOZJHKOF-UHFFFAOYSA-N 262.078 -0.246 50 20 CBGD C=CCOCC(=O)NNC(=O)Cn1nc(C)cc1C 729298907 GLVZFAJRYCMTED-UHFFFAOYSA-N 266.301 -0.150 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)CN1CCCCCC1=O 730091003 WWBIXVGPRNHGLA-UHFFFAOYSA-N 293.327 -0.498 50 20 CBGD COc1ccnc(NNC(=O)[C@H]2C[C@H]2C(=O)O)n1 738142679 DXUBRIUMJFAPRE-NTSWFWBYSA-N 252.230 -0.351 50 20 CBGD Cc1cc(NC(=O)NNC(=O)CO)ccc1C(=O)N(C)C 756704329 LLHSXNXFCAHVQL-UHFFFAOYSA-N 294.311 -0.158 50 20 CBGD O=C(CO)NNC(=O)Nc1ccccc1O[C@@H]1CCOC1 757677888 JGNULCZUJMYDTO-SECBINFHSA-N 295.295 -0.001 50 20 CBGD C[C@H](C[S@@](C)=O)N(C)CC(=O)NNC(=O)C(C)(C)C 767838105 OIZIGEMPKSZWJO-AYLIAGHASA-N 291.417 -0.121 50 20 CBGD CC(=O)[C@@H]1C[C@H](C(=O)NNC(=O)C(=O)NC(C)C)C1(C)C 780226587 HLWKVOWNTLHFEU-VHSXEESVSA-N 297.355 -0.090 50 20 CBGD CC#CC(=O)NNC(=O)c1csc(N2CCOCC2)n1 801104525 QQNNYJMIFUXUCY-UHFFFAOYSA-N 294.336 -0.236 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@H]1CC[C@@H]1C(N)=O 816823894 JTUGPSIBPVONFD-YUMQZZPRSA-N 264.285 -0.702 50 20 CBGD Cc1cc(CN)cc(NC(=O)NNC(=O)CO)c1 818633027 BXOAOWXBOCXZFI-UHFFFAOYSA-N 252.274 -0.401 50 20 CBGD COCCN1C[C@H](C(=O)NN(C)C2CC2)CC1=O 819645316 GRVGLHAVKHGCPM-SECBINFHSA-N 255.318 -0.393 50 20 CBGD Cn1cc(-c2nn[nH]n2)cc1C(=O)NNc1cccnn1 822645912 WLDDJKSIUKTWML-UHFFFAOYSA-N 285.271 -0.248 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccn(CCN(C)C)n1 823917312 HRDMXGAMVWLKSF-SNVBAGLBSA-N 269.349 -0.598 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H](NC(=O)O)C(C)C)n[nH]1 829956999 RFUIADGVKIPWRF-QMMMGPOBSA-N 283.288 -0.229 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnns1 843642986 HIPDMGZENRGZMD-PHDIDXHHSA-N 256.287 -0.276 50 20 CBGD COC(=O)NCCCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843652077 QUAMZJNMTRHYPU-RKDXNWHRSA-N 287.316 -0.305 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)[C@@H]1CC(=O)N1 854510170 JHCHEZQKICNGFN-VIFPVBQESA-N 277.280 -0.726 50 20 CBGD CNC(=S)N(C)NC(=O)CCn1ccccc1=O 854926275 ZNNNGRPHDJFAQM-UHFFFAOYSA-N 268.342 -0.294 50 20 CBGD NC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)c2cc[nH]n2)C1 855356190 HYIVWZKPVDUUJZ-YUMQZZPRSA-N 279.300 -0.538 50 20 CBGD CC(=O)NNC(=O)c1ccc2c(c1)N(C)C(=O)CO2 858108473 AHPCRGGEAXFUPE-UHFFFAOYSA-N 263.253 -0.177 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)N(C)C1CC1 858283907 USZYVQLQLABASZ-WPRPVWTQSA-N 297.359 -0.922 50 20 CBGD CSCCCN(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858700324 JGKDJOIMJQEALE-QMMMGPOBSA-N 288.373 -0.309 50 20 CBGD COC(=O)N(C)NC(=O)NCCc1cnn(C)c1 875099397 OZQJWJBNKAIBNT-UHFFFAOYSA-N 255.278 -0.125 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=S)NC(C)(C)C)C1 899996807 UCUDSIBLQROMAY-QMMMGPOBSA-N 274.390 -0.389 50 20 CBGD C[C@@H](O)CN(C)NC(=O)/C(C#N)=C\c1cnn(C)c1 910145240 RMQACMZOHGHKKI-BUBXLPKJSA-N 263.301 -0.329 50 20 CBGD CC(C)SCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 914470524 JZZJTBCOJZLPIB-QMMMGPOBSA-N 294.398 -0.290 50 20 CBGD CCN(CC)c1ncc(C=NNC(=O)C(N)=O)s1 916274878 WHPNKRXZVDKBHP-UHFFFAOYSA-N 269.330 -0.075 50 20 CBGD Cn1cc(C(=O)NNC(=O)C(C)(C)C)c(O)nc1=O 917180726 RLDXGLAVPGMNRK-UHFFFAOYSA-N 268.273 -0.707 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)c1ccccc1O 917359283 NBYQIWLROXQKLA-ZETCQYMHSA-N 265.269 -0.322 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H]1C(=O)NCC1(C)C 931658828 PIOIXNLCZSJKDL-IONNQARKSA-N 270.333 -0.954 50 20 CBGD C[C@H](CN)CNC(=O)NNc1nncc(N)c1Cl 1117966861 ONTXUPHDHYYTMY-RXMQYKEDSA-N 273.728 -0.067 50 20 CBGD NC(=O)C1(CNS(=O)(=O)CCl)CCOCC1 1260935657 UWNQHINKUGOEGH-UHFFFAOYSA-N 270.738 -0.616 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1CCCN(C)C1=O 1261786592 LRUQPVFRBFLYLW-AEJSXWLSSA-N 298.343 -0.637 50 20 CBGD O=C1C[C@@H](C(=O)NNC(=S)Nc2ccccn2)CCN1 1261916203 LSDZOIDTWADYCO-QMMMGPOBSA-N 293.352 -0.075 50 20 CBGD CSc1cc(C(=O)NNC(=O)C(=O)NC2CC2)ccn1 1317952854 MHQNOYFCXRKDBN-UHFFFAOYSA-N 294.336 -0.157 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 1318545360 ATWGURCBWKZHRD-UHFFFAOYSA-N 298.324 -0.905 50 20 CBGD CCn1nc(C(=O)NNc2nccnc2OC)ccc1=O 1320242663 SUASSUUVQVFGBO-UHFFFAOYSA-N 290.283 -0.181 50 20 CBGD CC(C)NC(=S)NNC(=O)Cc1nc2ncccn2n1 1321816477 HPFOFFXZEPTCQF-UHFFFAOYSA-N 293.356 -0.430 50 20 CBGD C[C@H](C(=O)NNC(=O)N1CCN(C)CC1)n1ccnc1 1323112607 FORFTQJDHBHKKR-SNVBAGLBSA-N 280.332 -0.568 50 20 CBGD O=C(CCO)NNC(=O)Nc1cccc2c1OCC(=O)N2 1325888584 GPSIGDCHZWWTRE-UHFFFAOYSA-N 294.267 -0.447 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H](C)c1nc(C)no1 1327152846 IWDWNGLWPYJJKT-LURJTMIESA-N 271.277 -0.194 50 20 CBGD CNC(=S)N(C)NC(=O)Cn1cc(C2CC2)nn1 1328744312 JROJWRZWOZHVAU-UHFFFAOYSA-N 268.346 -0.377 50 20 CBGD CC(C)(C)OC(=O)N[C@H](CO)C(=O)NNc1cccnn1 1331538989 NKEQHCKIAIGMLA-MRVPVSSYSA-N 297.315 -0.195 50 20 CBGD O=C(CN1CCC(CO)CC1)NNC(=O)c1ccccn1 1336224711 ZLCAGEHRLYDQDS-UHFFFAOYSA-N 292.339 -0.453 50 20 CBGD Nc1cnnc(NNC(=O)[C@H]2CCOC(=O)N2)c1Cl 1351500089 RZFUPERNFZWPEA-RXMQYKEDSA-N 286.679 -0.346 50 20 CBGD COC[C@H](N)C(=O)NNC(=O)CCc1ccccc1 1579086963 QFMWPSZQKNFUST-NSHDSACASA-N 265.313 -0.260 50 20 CBGD CCNC(=O)N(C)NC(=O)c1coc(-c2nn[nH]n2)c1 1590742760 XPSJEMYBLKUENW-UHFFFAOYSA-N 279.260 -0.234 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C12CC(C(=O)O)(C1)C2 1594643865 YYQLWLPIXKNOIN-QGAWUEONSA-N 282.296 -0.186 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)NCCOCC(=O)O 1603470308 LPBFBEJRGVZBOP-UHFFFAOYSA-N 277.277 -0.174 50 20 CBGD CC(C)(CNC(=O)NNC(=O)[C@@H]1CCCCO1)C(=O)O 1603632454 QBCGPBVSMPHVST-QMMMGPOBSA-N 287.316 -0.003 50 20 CBGD CS(=O)(=O)CCCNS(=O)(=O)CBr 127341478 SOKUUXLLRIIIDJ-UHFFFAOYSA-N 294.192 -0.307 50 20 CBGD C[C@H](O)CN(C)CC(=O)NNC(=O)c1cccc(C#N)c1 166062725 IVUYORCJFFAXJU-JTQLQIEISA-N 290.323 -0.368 50 20 CBGD CC(Cl)(Cl)C(=O)NNC(=O)C(=O)N1CCCC1 180202083 JDVYYZNQMMLTEH-UHFFFAOYSA-N 282.127 -0.050 50 20 CBGD Cc1nn(C)c(C)c1OCC(=O)NN(C)C(N)=O 181084960 OYMGMQZGMHWODJ-UHFFFAOYSA-N 255.278 -0.543 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)C(=O)NC1CC1 263800935 KASCJIVFKMSCSY-UHFFFAOYSA-N 293.279 -0.803 50 20 CBGD COc1ccccc1C(=O)NNC(=O)CN(C)C(C)=O 264527345 JBWGTRPMKTWGKS-UHFFFAOYSA-N 279.296 -0.066 50 20 CBGD COC(=O)N(C)NC(=O)CCn1c(C)cc(O)cc1=O 286484065 VIVLVLVESFEDMG-UHFFFAOYSA-N 283.284 -0.018 50 20 CBGD CC(=O)N[C@@H](C(=O)NNC(=O)N(C)C)C1CCCC1 299379904 NLAKZPFADNISCF-SNVBAGLBSA-N 270.333 -0.016 50 20 CBGD CCN(C[C@H]1CCOC1)C(=O)c1cccc(B(O)O)c1 584932709 BXDAZUFZRSRDHK-LLVKDONJSA-N 277.129 -0.135 50 20 CBGD C[C@](O)(CNC(=O)c1ccc(B(O)O)cc1)C1CC1 584955698 VWIIICQSXRWKKI-ZDUSSCGKSA-N 263.102 -0.743 50 20 CBGD C[C@@H]1[C@@H](C)N(C(=O)c2cc(B(O)O)ccc2F)CCN1C 584970933 VKSPPMOECCQPGX-NXEZZACHSA-N 294.135 -0.330 50 20 CBGD CCC[C@@](C)(CO)NC(=O)c1cccc(B(O)O)c1 584972317 TURIMJBAQVNUMS-ZDUSSCGKSA-N 265.118 -0.353 50 20 CBGD COc1c(CNCc2cccc(B(O)O)c2)c(C)nn1C 585036015 BXSFVZNJWZJDSZ-UHFFFAOYSA-N 289.144 -0.293 50 20 CBGD C[C@@H](CN(C)CCCN(C)C)NCc1ccc(B(O)O)o1 585047162 JDBKHZDAFITLLW-LBPRGKRZSA-N 297.208 -0.679 50 20 CBGD CN1CCO[C@H](c2nc(-c3ccc(B(O)O)cc3)no2)C1 585054871 OATBMLHMKFZPQU-NSHDSACASA-N 289.100 -0.581 50 20 CBGD O=C([C@H]1COCCN1CC(F)F)N1CC[C@@H](B(O)O)C1 585064054 LZHNRNIUZRWGGI-RKDXNWHRSA-N 292.091 -0.972 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)CCNC(N)=O)c1 728977709 YEMMVZWAGGCVLT-UHFFFAOYSA-N 275.268 -0.622 50 20 CBGD O=C(NCCN1C(=O)CNC1=O)NNc1ccccn1 733351610 LUNWYZAYYYDSBR-UHFFFAOYSA-N 278.272 -0.741 50 20 CBGD O=C(CCN1CCOCC1)NNc1cccnn1 736711142 WLMMNYRWAXCMPL-UHFFFAOYSA-N 251.290 -0.358 50 20 CBGD O=C(O)CSCC(=O)NNC(=O)c1cccnc1 740485228 ARZDENBOQUHSCB-UHFFFAOYSA-N 269.282 -0.340 50 20 CBGD C=CCCCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 748286912 CSQNDJFOBMTZQY-SECBINFHSA-N 274.342 -0.075 50 20 CBGD C[C@@H](C(=O)NNC(=O)COc1ccccc1O)N(C)C 750612857 XOOJUXXBZXOAMO-VIFPVBQESA-N 281.312 -0.132 50 20 CBGD CNC(=O)NNC(=O)CCOc1cccc(C(N)=O)c1 751361465 WJMJPXCFKXKCBJ-UHFFFAOYSA-N 280.284 -0.485 50 20 CBGD CC(=O)NCC(=O)NCC(=O)NNc1cccnc1Cl 754485163 LUMAVNKFLKMJEC-UHFFFAOYSA-N 299.718 -0.570 50 20 CBGD O=C(C[C@@H]1CCCCO1)NNC(=O)C(=O)NC1CC1 755065618 TWESPZFMTPRQJP-VIFPVBQESA-N 269.301 -0.628 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1ccc(OCC)nc1 758148938 PABDQOAWZWRXKD-UHFFFAOYSA-N 288.329 -0.007 50 20 CBGD CN1CC(=O)N(CC(=O)NNc2ccnc(F)c2)C1=O 781357569 PSKBVIIPAKODBZ-UHFFFAOYSA-N 281.247 -0.442 50 20 CBGD C[C@@H]1C[C@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)CO1 784028703 ZMIGUVIXPUTEPV-VWYCJHECSA-N 290.385 -0.096 50 20 CBGD NC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)N2CCOCC2)C1 786846108 UQNRHTCGQVDZSY-NXEZZACHSA-N 298.343 -0.649 50 20 CBGD Cc1nn(C)c(C)c1CC(=O)NNC(=O)C(C)(C)O 787949023 AEWTYPKEQPGJDV-UHFFFAOYSA-N 268.317 -0.502 50 20 CBGD COC[C@@H](CO)NC(=O)NNC(=O)c1cccc(C#N)c1 792898087 GLFGNJQUCCGMLD-LLVKDONJSA-N 292.295 -0.490 50 20 CBGD COCCC(COC)=NNC(=O)[C@H](C)NS(C)(=O)=O 812225700 NFRVNDQRJVBZFF-QMMMGPOBSA-N 295.361 -0.921 50 20 CBGD CN(C)N(C(=O)[C@H]1C[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 823014417 PMULJYAYCYWHQS-LPEHRKFASA-N 276.358 -0.750 50 20 CBGD Cc1cc(O)cc(=O)n1CCC(=O)NN(C)[C@@H](C)CO 823947337 WOLUJDOMABKYFU-JTQLQIEISA-N 283.328 -0.404 50 20 CBGD CC1=NO[C@H](C(=O)NNC(=O)c2cc(C)[nH]n2)C1 831418853 SMLYYMJMTTXHEA-QMMMGPOBSA-N 251.246 -0.356 50 20 CBGD O=C1NCC[C@H]1C(=O)NN=c1cc[nH]cc1Cl 832243006 NIEAVEFBPYCUHX-ZCFIWIBFSA-N 254.677 -0.264 50 20 CBGD CC(C)(C)N1C[C@H](C(=O)NNc2nc[nH]n2)CC1=O 839769400 LDUYQEUCLRYCOF-SSDOTTSWSA-N 266.305 -0.105 50 20 CBGD CNC[C@H]1CCCN1CC(=O)NNC(=O)C1CC1 843352196 BMCRCFNPDXCSIK-SNVBAGLBSA-N 254.334 -0.772 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1cnn(C)c1 843642234 FGQQONYYOJXPSF-ONGXEEELSA-N 280.328 -0.075 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cn1ccc([N+](=O)[O-])n1 843643383 IBNYCSBZQVMQQH-JGVFFNPUSA-N 297.271 -0.636 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccn(C)n1 843649867 XYGRUIHJQITPNQ-HTQZYQBOSA-N 252.274 -0.394 50 20 CBGD COc1cnc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)nc1 843657462 CULIHKGSQFLOCW-IONNQARKSA-N 280.284 -0.329 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2nnnn2CC1)C1CCC1 845482937 KXJAOVDIDMJORT-SECBINFHSA-N 278.316 -0.427 50 20 CBGD C[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)c1ncccn1 848226725 UFNMCGGNOYGNCL-QMMMGPOBSA-N 274.284 -0.161 50 20 CBGD CNC[C@H](C)NC(=O)NNC(=O)[C@@H]1CCCCO1 851682558 UXIRAGQANUYAOE-IUCAKERBSA-N 258.322 -0.506 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@H](O)C2CCCCC2)CC1 854379010 LHZUVWIMPHPHSZ-GFCCVEGCSA-N 298.387 -0.084 50 20 CBGD CNC(=S)N(C)NC(=O)CS(=O)(=O)C1CC1 854927593 MOAOJFGLGRDIQM-UHFFFAOYSA-N 265.360 -0.969 50 20 CBGD C[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC[C@H]1C 858696541 MWWUTIGNGWGYTQ-OPRDCNLKSA-N 282.344 -0.016 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc(F)c[nH]2)N1 862459697 ABXQGXLQNZTWBW-ZCFIWIBFSA-N 254.221 -0.807 50 20 CBGD Cc1cc(=NNC(=O)CSCC(N)=O)cc[nH]1 862511295 KDSPCPXDTUCMAC-UHFFFAOYSA-N 254.315 -0.526 50 20 CBGD COCCOCC(=O)NNC(=O)C1=COCCC1 869909436 WOQVWGSSXOJPOM-UHFFFAOYSA-N 258.274 -0.509 50 20 CBGD COCCNC(=O)C1(NS(=O)(=O)CCCCl)CC1 882255320 DAFKMOMGMAKXHP-UHFFFAOYSA-N 298.792 -0.170 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@H]1C1OCCO1 888447100 JQVPXTPQCKUBKO-LBPRGKRZSA-N 291.112 -0.656 50 20 CBGD CCOc1ccc(NNC(=O)CN2CCNC(=O)C2)cc1 908419893 PGVYDLMJPKEMLF-UHFFFAOYSA-N 292.339 -0.040 50 20 CBGD COCCC(C)(C)C(=O)NNC(=O)CN1CCCC1=O 913731906 AFWLHDUGUVFDMT-UHFFFAOYSA-N 285.344 -0.181 50 20 CBGD Cc1cncc(CCC(=O)NNC(=O)C(=O)NC2CC2)c1 1117762319 POISSZAXMCGUAS-UHFFFAOYSA-N 290.323 -0.251 50 20 CBGD NC(=O)COc1cccc(C(=O)N2CC[C@@H](B(O)O)C2)c1 1118916839 XHSCKBQJRUDYLM-SNVBAGLBSA-N 292.100 -0.760 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CCc1cncs1 1118954500 QAVOZAOWSHRBBA-UHFFFAOYSA-N 291.354 -0.732 50 20 CBGD Cc1nnc(COCC(=O)NN(C)C[C@H](C)O)s1 1119581405 GADYMWGWMZTHBF-ZETCQYMHSA-N 274.346 -0.293 50 20 CBGD C=C(CC)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1123483434 WQCWHZVIUKVLTK-QMMMGPOBSA-N 260.315 -0.465 50 20 CBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cnco1 1253724826 WVEIDCGILTZBCD-UHFFFAOYSA-N 289.251 -0.739 50 20 CBGD Nc1cnnc(NNC(=O)Cn2cncn2)c1Cl 1319776130 DMGFRXIZWIYOJR-UHFFFAOYSA-N 268.668 -0.553 50 20 CBGD C[C@H](NC(=S)NNC(=O)c1ncn(C)n1)C1CC1 1328304867 ZURYSWHQUQOQJR-LURJTMIESA-N 268.346 -0.278 50 20 CBGD C[C@@H](CC(=O)NNC(=O)[C@H]1CCC(=O)N1)n1cccn1 1329529011 CKHMXQKKEYHKSF-DTWKUNHWSA-N 279.300 -0.740 50 20 CBGD Cc1cc(C#N)cnc1C(=O)NNC(=O)C(=O)NC(C)C 1330310493 JGWBEBWDYPYPSZ-UHFFFAOYSA-N 289.295 -0.453 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CN1CCC(CO)CC1 1335999141 IRGIWZRGJBYJFQ-JQWIXIFHSA-N 299.371 -0.737 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1cccnc1OC 1339820458 ZPNIMJRVGVEZHT-UHFFFAOYSA-N 282.256 -0.906 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCC(=O)NC1 1342860754 LWKWVENRLUBZFO-JGVFFNPUSA-N 285.300 -0.998 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccc(CN)cc1 1345790381 DDNZFDFBXDFJTM-UHFFFAOYSA-N 280.284 -0.851 50 20 CBGD C[C@H](NC(=O)NNc1cccnn1)c1nnnn1C 1357696379 IIGMHKUFNRPMIS-LURJTMIESA-N 263.265 -0.613 50 20 CBGD O=C(C[C@@H]1CNCCS1(=O)=O)NNc1ccccc1 1521698459 ROECTANUIKZCBS-LLVKDONJSA-N 283.353 -0.094 50 20 CBGD CO[C@@H]1CN[C@@](C)(C(=O)NNC(=O)c2cccnn2)C1 1573960199 GPMUWEMRQGQGEA-QPUJVOFHSA-N 279.300 -0.995 50 20 CBGD C[S@@](=O)c1ccc(CC(=O)NNC(=O)[C@H]2CCN2)cc1 1579357963 SZEZKWLTYOZLEU-BIBXISHDSA-N 295.364 -0.524 50 20 CBGD Cc1cccc(C(=O)NNC(=O)NCC2[C@@H]3CNC[C@@H]23)n1 1579750407 OREQWYLDIUTOOI-NXEZZACHSA-N 289.339 -0.201 50 20 CBGD C[C@H](CC(=O)O)NC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 1589001574 MPRQPXSUQLQGSC-LURQLKTLSA-N 285.300 -0.253 50 20 CBGD COCC(=O)NNC(=O)Nc1cccc(C(=O)O)n1 1599143551 XHIDVBUDXNZEKY-UHFFFAOYSA-N 268.229 -0.421 50 20 CBGD CCCCNC(=O)NNC(=O)Cn1cc(C(=O)O)cn1 1605283695 TYGKOCXOFRHHOL-UHFFFAOYSA-N 283.288 -0.288 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H](CCCO)c1ccccc1 1608478377 XOPAIOAOFCPVIH-SNVBAGLBSA-N 295.295 -0.085 50 20 CBGD O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNC(=O)C1CC1 26966785 PIJMNSSMHLYTLA-AOOOYVTPSA-N 291.307 -0.505 50 20 CBGD COCCCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 42900350 CDNYJDYXGXVBCC-SNVBAGLBSA-N 279.362 -0.596 50 20 CBGD CNC(=O)NNC(=O)c1ccc(F)c(S(N)(=O)=O)c1 56376358 KCVUSSNUFAQUMH-UHFFFAOYSA-N 290.276 -0.953 50 20 CBGD COc1ccc(NNC(=O)Cn2ncn(C)c2=O)nc1 159112293 HKBNGRAUHXETNB-UHFFFAOYSA-N 278.272 -0.871 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CCCOC1 263927979 PFYCKJAXFJPEME-VIFPVBQESA-N 295.295 -0.417 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@H](C(=O)O)O1)c1ccccn1 276223148 XVEPYJUTAYKUKC-RKDXNWHRSA-N 279.252 -0.525 50 20 CBGD CC(C)(O)C(=O)NNC(=O)C(=O)NCc1ccc(F)cc1 276287391 QWXCIKKNESKKKH-UHFFFAOYSA-N 297.286 -0.640 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CSCCS1 298137883 CEIHFTLZKZOYTG-SSDOTTSWSA-N 291.398 -0.493 50 20 CBGD CC(=O)NCC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 298609974 REQGNDCDPAQVDE-MRVPVSSYSA-N 297.286 -0.124 50 20 CBGD C[C@H](Cc1cnn(C)c1)C(=O)Nc1cccc(B(O)O)c1 584910449 BKBPYJJSTRVMFF-SNVBAGLBSA-N 287.128 -0.083 50 20 CBGD CN(C[C@@H]1CCCOC1)C(=O)c1ccc(B(O)O)cc1 584944969 UGGPYPAPTXFJFW-NSHDSACASA-N 277.129 -0.135 50 20 CBGD CC(C)C[C@](C)(NC(=O)c1ccc(B(O)O)cc1)C(N)=O 584945778 LUJUFKPYOICGQO-AWEZNQCLSA-N 292.144 -0.614 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCCC[C@@H](CO)C1 584965814 UAEVRMMMQIWFLD-LLVKDONJSA-N 277.129 -0.399 50 20 CBGD C[C@H](c1cnn(C)c1)N(C)C(=O)c1ccc(B(O)O)cc1 584971412 RRTIRGRBXGFBDH-SNVBAGLBSA-N 287.128 -0.067 50 20 CBGD CCO[C@@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)[C@H]1OC 584973488 AFLWWAOKPHADHZ-JHJVBQTASA-N 293.128 -0.711 50 20 CBGD C[C@@H]1COCC[C@@H]1CNC(=O)c1ccc(B(O)O)cc1 584988800 FAXZOTMEPSPBEB-ZYHUDNBSSA-N 277.129 -0.231 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@H]2[C@H](C1)C2(F)F 585004784 NCJHFGZTLWKCFJ-YUMQZZPRSA-N 285.030 -0.157 50 20 CBGD COc1ccc([C@@H](CO)NCc2ccc(B(O)O)o2)cc1 585022809 AFBCJUHPKOVFMR-CYBMUJFWSA-N 291.112 -0.209 50 20 CBGD CSC[C@@H](CCO)NCc1cccc(B(O)O)c1 585027851 FACHXIFACAKPQV-GFCCVEGCSA-N 269.175 -0.430 50 20 CBGD OB(O)c1ccc(CNCCCO[C@@H]2CCOC2)cc1 585030792 ISKSBONPLXMWIG-CQSZACIVSA-N 279.145 -0.348 50 20 CBGD Cc1ccc2cccc(S(=O)(=O)NCB(O)O)c2n1 585055460 BBWCEKNSJMPMSG-UHFFFAOYSA-N 280.114 -0.166 50 20 CBGD Cc1nc(Cl)ccc1S(=O)(=O)NCB(O)O 585059685 WXUACIPOYMTRDO-UHFFFAOYSA-N 264.499 -0.666 50 20 CBGD CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](B(O)O)C1 585079388 ZUAGHEFIMONIAW-GHMZBOCLSA-N 254.139 -0.064 50 20 CBGD C[C@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)CN(C)C 733359791 RESBBDHEPRPIRG-QWRGUYRKSA-N 287.360 -0.330 50 20 CBGD Cc1c[nH]cc1C(=O)NNC(=O)C(=O)N1CCCC1 748241418 ZYVOEJYROQYWNW-UHFFFAOYSA-N 264.285 -0.293 50 20 CBGD CC(=NNC(=O)C(N)=O)c1cnn(-c2ccccn2)c1C 748244587 NVXPPASNUGLXEO-UHFFFAOYSA-N 286.295 -0.099 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CN(C)CCO)cc1 753911319 KCYKRKJTLHCNNN-UHFFFAOYSA-N 265.313 -0.320 50 20 CBGD COc1ncncc1NC(=O)NNC(=O)c1cnccn1 757690631 NZRHKZVXCYYEBW-UHFFFAOYSA-N 289.255 -0.258 50 20 CBGD CC(=O)Nc1ccc(F)c(C(=O)NNC(=O)CO)c1 777782948 YLCVCRYQMYNYPZ-UHFFFAOYSA-N 269.232 -0.463 50 20 CBGD CCOCC(=O)NNC(=O)NCc1cccn(CC)c1=O 789298640 WDDBINCCYANWRH-UHFFFAOYSA-N 296.327 -0.265 50 20 CBGD Cc1cc(C(=O)NNC(=O)CC2OCCO2)n[nH]1 793750666 SKSNLHRZDCRRIA-UHFFFAOYSA-N 254.246 -0.758 50 20 CBGD Cc1cccc(C(=O)NNC(=O)c2ccc(=O)n(C)n2)n1 794080308 KCUFRRHDGYGDDE-UHFFFAOYSA-N 287.279 -0.441 50 20 CBGD COc1cccc(C(=O)NNC(=O)N2CCN(C)CC2)n1 807383242 QWAFKODENVIRHR-UHFFFAOYSA-N 293.327 -0.308 50 20 CBGD C=CCNC(=S)NNC(=O)c1cnc2[nH]c(O)nc2c1 813364479 TWWJVGMTWPNEMC-UHFFFAOYSA-N 292.324 -0.042 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NN=C1COCCOC1 814762999 PVMPREZOGRLWIA-LLVKDONJSA-N 285.344 -0.526 50 20 CBGD CN1CCCC[C@H]1C(=O)NNC(=O)c1ccnnc1 823759603 WUWXFHSJELJTBG-JTQLQIEISA-N 263.301 -0.278 50 20 CBGD CC(=O)N[C@@H](CC(C)C)C(=O)NN(C)[C@H](C)CO 823934549 HMGMHUHDWOLKSN-KOLCDFICSA-N 259.350 -0.119 50 20 CBGD CCCCS(=O)(=O)NCC(=O)NN(C)[C@@H](C)CO 823938879 BKNSZVUFLCYLKW-VIFPVBQESA-N 281.378 -0.950 50 20 CBGD CCOC(=O)Cn1cnc(NC(=O)NNC(=O)CC)n1 824448546 IFRQZIQDJNNBII-UHFFFAOYSA-N 284.276 -0.596 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cc(-c2nn[nH]n2)cn1C 825471581 XIUMFHWCYCACPG-UHFFFAOYSA-N 292.303 -0.489 50 20 CBGD CCN1C[C@@H](NC(=O)NNc2ccncn2)CC1=O 836607771 MDISCHGVDNBARZ-QMMMGPOBSA-N 264.289 -0.277 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN[C@@H](C(C)C)C1 843375877 NLDMRIYODDLDIP-GHMZBOCLSA-N 270.377 -0.138 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc2ncnn12 843659017 TWHFOINMOJNWMA-DTWKUNHWSA-N 289.295 -0.085 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)on1 843980814 WWYXJCFOVWMDHL-NKWVEPMBSA-N 297.267 -0.353 50 20 CBGD COC[C@@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(C)C 858246688 BLAIIWPAASQFOH-RKDXNWHRSA-N 286.332 -0.734 50 20 CBGD CCc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862450904 DDZLZRUNRDMJSK-MRVPVSSYSA-N 265.273 -0.988 50 20 CBGD CC(C)(C)n1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 862453732 YETLQXFZSYQSBB-VIFPVBQESA-N 293.327 -0.322 50 20 CBGD C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862455486 ORYSGFKRIOPAQO-KXUCPTDWSA-N 282.344 -0.715 50 20 CBGD CC1(C)OCC(C)(C(=O)NNC(=O)c2cn[nH]c2)CO1 862472624 OOCGCCYOBNFBJT-UHFFFAOYSA-N 282.300 -0.040 50 20 CBGD COCCN(CC(F)F)C(=O)c1ccc(B(O)O)cc1 863871942 HGUDSEOHFJDNEI-UHFFFAOYSA-N 287.071 -0.280 50 20 CBGD CCCCOC(=O)CNC(=O)c1cc(B(O)O)ccc1F 863873435 CMCXFYFQVZYNDC-UHFFFAOYSA-N 297.091 -0.421 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CCN(C(=O)c2ccccc2)C1 863903569 LOHQSSNBIJERRS-NSHDSACASA-N 291.307 -0.712 50 20 CBGD CO[C@@]1(C(=O)NNC(=O)Cc2cc[nH]n2)CCSC1 896209698 BIXBLYLACSIMDA-NSHDSACASA-N 284.341 -0.378 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CCCC(=O)N1C 909993398 MUXHKYDBZRDQIE-ZETCQYMHSA-N 258.347 -0.535 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cc(OC(F)F)n(C)n1 910159449 HVTQJCQBIYJVKK-LURJTMIESA-N 278.259 -0.021 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccc(N2CCOCC2)cc1 916272336 NEYNTOVHZJMGLO-UHFFFAOYSA-N 290.323 -0.151 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 920862276 VXTMCGWDARFRSI-VIFPVBQESA-N 298.343 -0.636 50 20 CBGD CC[C@](C)(O)C(=O)NNC(=O)Cc1cccnc1 931967439 DDDJWWACGUVRPL-LBPRGKRZSA-N 251.286 -0.068 50 20 CBGD Cc1oc(S(N)(=O)=O)cc1C(=O)NNC(=O)C1CC1 1116910136 XKCJVULLESWFHF-UHFFFAOYSA-N 287.297 -0.594 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1nnc(C(C)C)s1 1118835519 PPXDPNPYXHGQHO-UHFFFAOYSA-N 299.356 -0.053 50 20 CBGD Cc1c(CNC(=O)NNC(=O)C2CCOCC2)cnn1C 1119347609 NSPBCRSVJXWXDQ-UHFFFAOYSA-N 295.343 -0.014 50 20 CBGD CCNC(=O)NNC(=O)Cc1csc(-c2nc[nH]n2)n1 1318356876 QUAOLZLUDSNUMR-UHFFFAOYSA-N 295.328 -0.179 50 20 CBGD CCCNC(=O)NNC(=O)C(=O)c1cnn(CC)c1 1319523675 DDUHNOZIICLLIK-UHFFFAOYSA-N 267.289 -0.174 50 20 CBGD COC(=O)c1ccc(NNC(=O)c2cnn[nH]2)nc1 1319646238 GISHCWMMVAJDKB-UHFFFAOYSA-N 262.229 -0.257 50 20 CBGD Cc1nn[nH]c1C(=O)NNC(=O)Cc1cn2ccccc2n1 1321008163 RZILVKBTQOSJRJ-UHFFFAOYSA-N 299.294 -0.235 50 20 CBGD NC(=O)c1cc2c(nc1O)CCCC2=NNC(=O)CO 1323267472 ROKYDTKVPYIUFK-UHFFFAOYSA-N 278.268 -0.965 50 20 CBGD COCCn1cc(C(=O)NNC(=O)C2CC2)c(=O)cc1C 1324639192 XEMKHMYJDYDNEG-UHFFFAOYSA-N 293.323 -0.026 50 20 CBGD O=C(NCc1ccco1)NNC(=O)C(=O)NCC(F)F 1324668126 AOEVMVUNZOOPLG-UHFFFAOYSA-N 290.226 -0.509 50 20 CBGD O=C(NNS(=O)(=O)c1ccco1)c1cnccn1 1326056479 YDZXOZSYOSENQH-UHFFFAOYSA-N 268.254 -0.307 50 20 CBGD CSCC[C@H](NC(N)=O)C(=O)NNC(=O)c1ccc[nH]1 1329158764 HJBSVFMCRPTWMK-QMMMGPOBSA-N 299.356 -0.434 50 20 CBGD COCCOCC(=O)NNC(=O)Cc1cn(C)nc1C 1329608955 RFBGOPGIWUUFNA-UHFFFAOYSA-N 284.316 -0.919 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccncc2F)N1 1331795392 QZWVWCKGOUTUCG-QMMMGPOBSA-N 266.232 -0.740 50 20 CBGD COC(=O)N(C)NC(=O)NC[C@@H]1CN(C)CCN1C 1336403000 UTBUZXMRNMSLOI-SECBINFHSA-N 273.337 -0.855 50 20 CBGD CO[C@@H]1CCC[C@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1337369852 MKHNLOBULCUJCM-HRDYMLBCSA-N 269.301 -0.773 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccc(S(C)(=O)=O)o1 1342028612 BMLRPQHAAPHLGQ-UHFFFAOYSA-N 289.313 -0.011 50 20 CBGD CN(C)C(=O)NNC(=O)c1cc2n(n1)CCCO2 1343707583 ZBPPXZQPEFUHEY-UHFFFAOYSA-N 253.262 -0.418 50 20 CBGD C[C@@H](CC(=O)NNC(=O)C(=O)NC1CC1)n1ccnc1 1346170579 AJRFLJAXCAYWTB-QMMMGPOBSA-N 279.300 -0.740 50 20 CBGD CC1(C)[C@@H]2CC[C@@]1(C(=O)NNC(=O)CN)C(=O)C2 1576495018 KSWOCMHKKHSXNM-KRTXAFLBSA-N 253.302 -0.512 50 20 CBGD CN(C)N(C(=O)[C@H]1C[C@H]1CN)[C@@H]1CCS(=O)(=O)C1 1578420210 BKJDVVWLQKPQJH-AEJSXWLSSA-N 275.374 -0.927 50 20 CBGD CNC[C@H](O)[C@@H](C)C(=O)NNC(=O)NCC(F)(F)F 1578646134 PWPXJRBFKHYUMJ-RITPCOANSA-N 286.254 -0.905 50 20 CBGD O=C(NNC(=O)C(F)(F)c1nccs1)[C@@H]1CCN1 1580732456 CXQJJOZPWXRMGU-YFKPBYRVSA-N 276.268 -0.256 50 20 CBGD O=C1CCc2cc(C(=O)NNC(=O)[C@H]3CCN3)ccc2N1 1580846233 HDVFFRYVDHIDPN-LLVKDONJSA-N 288.307 -0.306 50 20 CBGD C[C@]1(C(=O)NNC(=O)[C@H](C(=O)O)C2CC2)CCCO1 1589181595 OXCKQFNOUXZJHL-PRHODGIISA-N 270.285 -0.186 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H](C(=O)O)C1=O 1589693711 YEKLWHYOJFBNPA-QMMMGPOBSA-N 299.327 -0.497 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)COCC(=O)O 1594144100 LMBCBEMQMYTWSA-UHFFFAOYSA-N 296.279 -0.514 50 20 CBGD Cc1oc(C(=O)O)cc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1600826404 PYJFPUFQPFZKKP-SSDOTTSWSA-N 295.251 -0.674 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@@H](C(=O)O)C1)N1CCOCC1 1601555977 ODFSSCLEGMLREH-OCAPTIKFSA-N 271.273 -0.830 50 20 CBGD CCN(CCO)NC(=O)c1cnc(C(=O)O)cn1 1603739068 GNOKAZFRVHHORD-UHFFFAOYSA-N 254.246 -0.866 50 20 CBGD Cn1cc(C=NNC(=O)NCC(=O)O)c(Cl)n1 1608107832 ZGEBTKUSGNVNHT-UHFFFAOYSA-N 259.653 -0.209 50 20 CBGD CO[C@@H]1C[C@@H](C(=O)O)CN(S(=O)(=O)CCl)C1 1777159191 MQNBXQSTEIYJDP-RNFRBKRXSA-N 271.722 -0.066 50 20 CBGD CNC(=O)NNC(=O)c1ccc(Cn2cncn2)cc1 48949849 SZBBFNUMQAPMBF-UHFFFAOYSA-N 274.284 -0.100 50 20 CBGD O=C(NNC(=O)c1cccc2[nH]c(=O)oc12)c1c[nH]nn1 126537175 KFUYVYQVJSMSNG-UHFFFAOYSA-N 288.223 -0.686 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2ccon2)n1 128447179 CWKFODSJVPBHGQ-UHFFFAOYSA-N 263.257 -0.051 50 20 CBGD O=C(CNS(=O)(=O)CBr)N1CCCC1 159192135 FDUODPJVQGAYEU-UHFFFAOYSA-N 285.163 -0.119 50 20 CBGD COC(=O)c1cn(CC(=O)NNC(=O)C2CCC2)nn1 267043404 UTGAWLJISAVWJG-UHFFFAOYSA-N 281.272 -0.988 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C1[C@H]2CCC[C@H]12 267188587 JVWDFNDYTZZQGE-YUMQZZPRSA-N 253.302 -0.296 50 20 CBGD C=CC[C@H](CC)NC(=O)NNC(=O)C(=O)NC1CC1 281440194 SBOVFJBQHZMQFB-QMMMGPOBSA-N 268.317 -0.050 50 20 CBGD CN1CC[C@H](NC(=O)NNc2ncncc2F)C1=O 292846922 YXSGRFJSPWCUNJ-ZETCQYMHSA-N 268.252 -0.528 50 20 CBGD CC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccc[nH]1 299441533 FXOFKDAZWUTTII-JTQLQIEISA-N 264.285 -0.213 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCCC[C@@H]1CCO 584931373 RTTMGIQCFWNJLQ-LLVKDONJSA-N 295.119 -0.117 50 20 CBGD C[C@H](O)[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584965510 SCWQYIQFLVVCMO-CMPLNLGQSA-N 277.129 -0.401 50 20 CBGD CN(C[C@H]1CCC[C@H]1O)C(=O)c1ccc(B(O)O)c(F)c1 584966625 GOBIHPFYCUIOQV-ZWNOBZJWSA-N 295.119 -0.262 50 20 CBGD CCc1nn(C)cc1CNC(=O)c1cccc(B(O)O)c1 584970246 NXPMONMTBYLCKQ-UHFFFAOYSA-N 287.128 -0.408 50 20 CBGD CC[C@]1(O)CCN(C(=O)c2ccc(B(O)O)cc2)C1 584975131 TWARRGYYMBAKSV-ZDUSSCGKSA-N 263.102 -0.647 50 20 CBGD C[C@H]1CCC[C@]1(O)CNC(=O)c1cc(B(O)O)ccc1F 584995155 QIHFEIGTCVCGEO-XPTSAGLGSA-N 295.119 -0.214 50 20 CBGD CN(CC1(C)COC1)C(=O)c1cc(B(O)O)ccc1F 585010900 ZYELHAJTMDGFPV-UHFFFAOYSA-N 281.092 -0.386 50 20 CBGD OB(O)c1ccc(CNCCCOC2CCOCC2)o1 585025108 LWGJHMBGOYPQBM-UHFFFAOYSA-N 283.133 -0.365 50 20 CBGD OB(O)c1ccc(CNC[C@@H]2CCCC[C@H]2O)o1 585025582 XXAANHPHFUNMDW-GXSJLCMTSA-N 253.107 -0.400 50 20 CBGD C[C@H]1C[C@H](NCc2ccc(B(O)O)cc2)CCN1C 585027484 UWTBQAYLWMDCJA-SMDDNHRTSA-N 262.162 -0.061 50 20 CBGD CC(C)N1CC[C@H](NCc2ccc(B(O)O)cc2)C1=O 585030198 XSLTWAWORBCLDM-ZDUSSCGKSA-N 276.145 -0.535 50 20 CBGD COC[C@H](OC)c1nc(-c2ccc(B(O)O)cc2)no1 585052248 WBGAJFPPDNPLHW-JTQLQIEISA-N 278.073 -0.250 50 20 CBGD O=S(=O)(NCB(O)O)c1cccc(C(F)(F)F)c1 585053813 DBHJUOAHEMDHDU-UHFFFAOYSA-N 283.036 -0.004 50 20 CBGD OB(O)c1cccc(-c2noc([C@H]3CCOC3)n2)c1 585054419 VDEOEPJBXKPLMA-VIFPVBQESA-N 260.058 -0.080 50 20 CBGD O=C(NCB(O)O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 585059271 HEVUWNWJMJKTGJ-QWRGUYRKSA-N 282.149 -0.457 50 20 CBGD O=C(CCCCN1CCOCC1)NNC(=O)NC1CC1 732063497 TWPRHBWTLNWQDL-UHFFFAOYSA-N 284.360 -0.018 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)C[C@@H](C)C(=O)O 736847714 NDHKDJIZHLGRFW-HTQZYQBOSA-N 259.306 -0.415 50 20 CBGD COC(C)(C)CNC(=O)NNC(=O)C(=O)N1CCCC1 745889280 FHDYILZAHNVQGN-UHFFFAOYSA-N 286.332 -0.636 50 20 CBGD CC(C)(C)c1nnc(NC(=O)NNC(=O)CO)s1 756155166 PXPDFPFAWMSDBR-UHFFFAOYSA-N 273.318 -0.019 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1(C)CCC1 758046681 IPNKAYBLJBRNEP-SSDOTTSWSA-N 277.346 -0.738 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccccc1F 764303533 MPNKLSCPWYZYHU-UHFFFAOYSA-N 269.232 -0.442 50 20 CBGD Cc1sc(=O)n(CCC(=O)NNC(=O)CO)c1C 777781500 WADHBKDXUKYXPC-UHFFFAOYSA-N 273.314 -0.944 50 20 CBGD CC(C)n1cnnc1SCC(=O)NN(C)C(N)=O 778416038 YQNGFAQVZFXAIU-UHFFFAOYSA-N 272.334 -0.007 50 20 CBGD COCCOCC(C)=NNC(=O)NCC(=O)OC 779823819 UAPRWYHMZPBFCB-UHFFFAOYSA-N 261.278 -0.503 50 20 CBGD CC(C)[C@H](F)C(=O)NNC(=O)C(=O)N1CCCC1 784149541 NCKKRWWMGJAPKJ-QMMMGPOBSA-N 259.281 -0.250 50 20 CBGD N#C/C(=C/C1CC1)C(=O)OCCN1C(=O)CNC1=O 786674390 SIFXINVESPFGAE-UITAMQMPSA-N 263.253 -0.059 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CCC(=O)c2cccn21 788740510 AKPPNKVFFGCNER-QMMMGPOBSA-N 250.258 -0.034 50 20 CBGD CC(C)(O)CC(=O)NNC(=O)CNC(=O)c1ccco1 792116363 GZZMKLZIZBHTJU-UHFFFAOYSA-N 283.284 -0.682 50 20 CBGD CCn1ncnc1CNC(=O)NNc1nccc(OC)n1 793458417 RBUOBENTXUTNJR-UHFFFAOYSA-N 292.303 -0.077 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCC(C)=O 800094986 UTGOHPUUDOYOOR-MRVPVSSYSA-N 258.274 -0.155 50 20 CBGD CCOCC(=O)NNC(=O)NCc1ncnn1C(C)(C)C 800742815 ICCXEIQECQZDOK-UHFFFAOYSA-N 298.347 -0.100 50 20 CBGD O=C(NNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccncc1 801601436 OEKNUZFVJVFPSR-UHFFFAOYSA-N 276.212 -0.212 50 20 CBGD C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)N1CCN(C)CC1 807383108 KMVPHXSBWCRQIZ-HBNTYKKESA-N 284.360 -0.212 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(CCO)C[C@H](C)O 810039992 LCHKTSGHNGKQSE-QWRGUYRKSA-N 289.376 -0.757 50 20 CBGD COC/C(C)=C/C(=O)NNC(=O)Cc1cc[nH]n1 845446844 GFJPEQUEOVOFKQ-VMPITWQZSA-N 252.274 -0.308 50 20 CBGD CSCCNC(=S)NNC(=O)Cc1nonc1C 845906771 IORVDSIQBMMROS-UHFFFAOYSA-N 289.386 -0.221 50 20 CBGD COc1ccc(NC(=O)NNC(=O)[C@H]2CCNC2=O)cc1 854379741 LLDWBUMLXMKODC-JTQLQIEISA-N 292.295 -0.016 50 20 CBGD C#C[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(C)C 858422065 FCWBDSWKUGLNBM-DTWKUNHWSA-N 266.301 -0.747 50 20 CBGD CON(C)C(=O)[C@@H](C)NC(=O)NNc1ccc(C)nn1 858993453 SNPQUWMPEYVTDE-MRVPVSSYSA-N 282.304 -0.181 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C)n1C 862448439 DQTGWOXBWMJWFD-JTQLQIEISA-N 278.312 -0.318 50 20 CBGD Cc1cc(C(=O)NNC(=O)CN(C)C2CCC2)n[nH]1 863898425 MJMYVZSLVCKWLH-UHFFFAOYSA-N 265.317 -0.037 50 20 CBGD COCCOCC(=O)NNC(=O)c1cccc2nccn12 869908177 JWJIZHZHIGPPQB-UHFFFAOYSA-N 292.295 -0.242 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCc2ncncc2C1 880597165 PSGZZZQLQXGDIP-VIFPVBQESA-N 277.328 -0.219 50 20 CBGD O=C(NNC(=O)C1CN([C@H]2CCOC2)C1)C1CCC1 896293946 OURYNCWELFBWIJ-NSHDSACASA-N 267.329 -0.345 50 20 CBGD C[C@]1(C(=O)NC[C@H](O)C(N)=O)C[C@H]1Br 907780938 JJTBWBOOGFVUHX-UUEMRFSQSA-N 265.107 -0.878 50 20 CBGD CC(C)[C@@H](F)C(=O)NNC(=O)CN1CCCC1=O 913732507 ZAUKUEOAZBLHKS-SNVBAGLBSA-N 259.281 -0.250 50 20 CBGD O=C(Cn1ccc([N+](=O)[O-])n1)NNC(=O)CC(F)(F)F 918366850 FNYUXTCHIRDMOE-UHFFFAOYSA-N 295.177 -0.109 50 20 CBGD O=C(CN1CCO[C@@H]2COCC[C@@H]21)NNC(=O)C1CC1 933970409 QWGWDZSKEDIHPA-WDEREUQCSA-N 283.328 -0.967 50 20 CBGD Nc1cnnc(NNC(=O)[C@H](O)C2CC2)c1Cl 1118673836 BRLMIMGFNZWOEW-SSDOTTSWSA-N 257.681 -0.074 50 20 CBGD CC(C)CNC(=O)CNC(=O)NNC(=O)C1CCC1 1318700957 ACJUHSCZWARCPN-UHFFFAOYSA-N 270.333 -0.111 50 20 CBGD NC(=O)CSCC(=O)NNc1ncc(F)cn1 1319788621 CBCDBQWKFGFSCD-UHFFFAOYSA-N 259.266 -0.723 50 20 CBGD COC(=O)c1cc(C=NNC(=O)CCO)cn1C 1320697997 WILZXDCYBIYUIW-UHFFFAOYSA-N 253.258 -0.356 50 20 CBGD Cn1ccnc(NNC(=O)C2=COCCO2)c1=O 1322297390 XWTWQVKDMFYQKJ-UHFFFAOYSA-N 252.230 -0.888 50 20 CBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CCSC1 1322587033 FHNBFBWNKBDYKY-YUMQZZPRSA-N 292.382 -0.678 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccn(C)n1 1329239012 HGZUVZBBYSFGSX-PSASIEDQSA-N 281.316 -0.325 50 20 CBGD COCCOCC(=O)NNC(=S)NC1CCOCC1 1329332396 NJCFMARIEKZVRO-UHFFFAOYSA-N 291.373 -0.676 50 20 CBGD COC(=O)C(=O)NN=C(C)c1cccc(-n2cnnn2)c1 1330772672 DQSDPFIDXSCECP-UHFFFAOYSA-N 288.267 -0.325 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)OCC(F)(F)F)CC1 1330967126 XYRSQFHEPWTEDB-UHFFFAOYSA-N 269.179 -0.428 50 20 CBGD Cn1ncc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1Cl 1331691935 RZISZFWELQZHQB-ZCFIWIBFSA-N 285.691 -0.887 50 20 CBGD Cn1ccnc(NNC(=O)CO[C@H]2CCOC2)c1=O 1339906049 CGLODJCLFUPQIX-QMMMGPOBSA-N 268.273 -0.971 50 20 CBGD COC(=O)C[C@H]1CCCN1C(=O)NNC(=O)c1cn[nH]c1 1348122232 GHIOREGHEVEUDF-SECBINFHSA-N 295.299 -0.208 50 20 CBGD CCN(CCO)NC(=O)CS[C@H]1CCS(=O)(=O)C1 1352229556 LBLBWNOLXMSZLE-VIFPVBQESA-N 296.414 -0.748 50 20 CBGD Nc1ccc(C(=O)NNC(=O)CN2CCCC2=O)c(O)c1 1580440080 ODHPXWNDAUKOGV-UHFFFAOYSA-N 292.295 -0.642 50 20 CBGD CC(C)C(=O)NNC(=O)Nc1cc(C(=O)O)nn1C 1590939536 YUNXPHRTNGCZBH-UHFFFAOYSA-N 269.261 -0.073 50 20 CBGD COc1ccc(NC(=O)NNC(=O)[C@@H](OC)C(=O)O)cc1 1594105891 FLSJYGCDZCHHPD-SECBINFHSA-N 297.267 -0.053 50 20 CBGD CC[C@H](C)C[C@@H](NC(=O)c1cccc(B(O)O)c1)C(=O)O 1594947063 YKGRFGNKLLWXSG-JOYOIKCWSA-N 293.128 -0.014 50 20 CBGD O=C(O)C[C@H](NC(=O)c1ccc(B(O)O)cc1)C1CC1 1601904228 CESWCJOYJMAZIJ-NSHDSACASA-N 277.085 -0.651 50 20 CBGD O=C(O)c1cc(C(=O)NNC(=O)[C@H]2CCCCO2)[nH]n1 1605815299 BZFBHZLFHLAUSV-MRVPVSSYSA-N 282.256 -0.562 50 20 CBGD O=C(O)c1cccnc1NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1606528423 FYVWUFUCYXXUIE-RNFRBKRXSA-N 266.213 -0.112 50 20 CBGD C[C@H](O)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841353711 LCRKIFJQOXWLSJ-DTWKUNHWSA-N 290.747 -0.830 50 20 CBGD O=C1C[C@H](C(=O)NNC(=O)c2ccccc2)CCN1 155422126 RENCAZZYSMVDPR-SNVBAGLBSA-N 261.281 -0.026 50 20 CBGD C[C@]1(C(N)=O)CCN(S(=O)(=O)CBr)C1 235747749 HAOJVENLVVTTDA-ZETCQYMHSA-N 285.163 -0.134 50 20 CBGD CN(C)CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C 263899899 BTNJCIBWMCJSKE-UHFFFAOYSA-N 288.348 -0.390 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NCCCN1C(=O)CCC1=O 264397517 PFURGKXSLGPZNZ-UHFFFAOYSA-N 298.343 -0.098 50 20 CBGD NC(=O)c1cccc(NC(=O)NNC(=O)C2CC2)n1 274101683 JYNPZTQJVFKRPU-UHFFFAOYSA-N 263.257 -0.257 50 20 CBGD COC(=O)NNC(=O)CNC(=O)COc1ccccc1 298306248 NOIDZKKPHYMUJR-UHFFFAOYSA-N 281.268 -0.431 50 20 CBGD CN([C@@H]1CCNC1=O)S(=O)(=O)CBr 307716338 HPVMNLGXLAVUAM-RXMQYKEDSA-N 271.136 -0.511 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CN2CCCN1CC2 366722339 NADPVZGXKIBTDF-SNVBAGLBSA-N 269.349 -0.931 50 20 CBGD Cc1noc([C@@H](C)NC(=O)c2ccc(B(O)O)cc2)n1 584937195 RRPGFQKWIYIZPH-SSDOTTSWSA-N 275.073 -0.451 50 20 CBGD C[C@@H](CCN(C)C)NC(=O)c1ccc(B(O)O)cc1 584945822 LMNJQXCIQNGPRF-JTQLQIEISA-N 264.134 -0.564 50 20 CBGD CSC[C@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584947910 FQNTXXQDSWGTKQ-ZETCQYMHSA-N 271.122 -0.013 50 20 CBGD O=C(CCCNC(=O)c1cccc(B(O)O)c1)NC1CC1 584970032 KUNPMPJCTXTFHI-UHFFFAOYSA-N 290.128 -0.845 50 20 CBGD C[C@@H]1[C@@H](C)N(C(=O)c2ccc(B(O)O)c(F)c2)CCN1C 584970735 SFGWJAVTVZTQFO-NXEZZACHSA-N 294.135 -0.330 50 20 CBGD C[C@H]1C[C@H](O)CN1C(=O)c1ccc(B(O)O)c(F)c1 584980256 UZIUEWOMBPATGO-CBAPKCEASA-N 267.065 -0.899 50 20 CBGD CO[C@H](C1CC1)[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 584996765 PEYPHVTURJVILU-RNCFNFMXSA-N 277.129 -0.090 50 20 CBGD CC[C@H](C)NC(=O)[C@@H](C)NCc1ccc(B(O)O)o1 585032990 TTZMCIJGQBLDSW-DTWKUNHWSA-N 268.122 -0.648 50 20 CBGD C[C@]1(CNCc2ccc(B(O)O)cc2)CCC(=O)N1 585044898 WYXLVXBCEAHAIA-CYBMUJFWSA-N 262.118 -0.875 50 20 CBGD CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NCB(O)O 585059218 FAULMYMBYWBOML-SECBINFHSA-N 270.138 -0.458 50 20 CBGD NC(=O)CNC(=S)NNC(=O)Nc1ccccc1 727073415 MCJAELNLKBHKOE-UHFFFAOYSA-N 267.314 -0.328 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)NCCS(C)(=O)=O 728596434 JNJGGJQRXURTOW-UHFFFAOYSA-N 279.362 -0.202 50 20 CBGD Cc1n[nH]cc1S(=O)(=O)NNC(=O)C1CCC1 732047951 MPNHUOKRRKBVLC-UHFFFAOYSA-N 258.303 -0.172 50 20 CBGD CC(C)CS(=O)(=O)CCC(=O)NNC(=O)CN(C)C 733359303 CRBGAZXQYCKOFM-UHFFFAOYSA-N 293.389 -0.844 50 20 CBGD CC(=O)NCC(=O)NNc1ccnc(N(C)C)n1 740103483 RDBDTEFBESHKAZ-UHFFFAOYSA-N 252.278 -0.878 50 20 CBGD COCC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1 754256524 DTOWTLIUBBXNJI-SECBINFHSA-N 274.342 -0.050 50 20 CBGD CCc1[nH]nc(C(=O)NNC(=O)NC)c1[N+](=O)[O-] 776637063 ZBXIBKFJZIXJIK-UHFFFAOYSA-N 256.222 -0.546 50 20 CBGD O=C(CO)NNC(=O)c1nnc2ccccc2c1O 777781007 DMCMEHAGQBCSLH-UHFFFAOYSA-N 262.225 -0.911 50 20 CBGD CCCNC(=O)NNS(=O)(=O)N1CC[C@H](C)C1 777927507 MJAIENOQHFYTPK-QMMMGPOBSA-N 264.351 -0.213 50 20 CBGD COCCn1ccc(C(=O)NNC(=O)C(C)C)n1 784293873 MDUFRRJBFDGSMP-UHFFFAOYSA-N 254.290 -0.054 50 20 CBGD Cc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)c(O)n1 788166486 NOQJYSYXOMHKNG-UHFFFAOYSA-N 293.327 -0.303 50 20 CBGD CO[C@H](C)C(=O)NNc1ccccc1S(N)(=O)=O 788230815 YNOZGPJPFLLFDG-SSDOTTSWSA-N 273.314 -0.188 50 20 CBGD COC[C@@H](CO)NC(=O)NNC(=O)c1ccc(C#N)cc1 792871450 LKAOJXJBNQGYEY-LLVKDONJSA-N 292.295 -0.490 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1COCCN1C1CCCC1 793208294 WFDTUICQFSDYHC-NSHDSACASA-N 284.360 -0.020 50 20 CBGD CO[C@@](C)(C(=O)NNC(=O)N1CCN(C)CC1)C1CC1 812557106 MINIECIXOBXBIC-CYBMUJFWSA-N 284.360 -0.210 50 20 CBGD CCC[C@H](OC)C(=O)NNC(=O)N1CCOCC1 822854411 MEEFKGFBAGIUDL-VIFPVBQESA-N 259.306 -0.126 50 20 CBGD CCN(CCO)NC(=O)c1ccc(S(C)(=O)=O)nc1 823376253 AZLFTJIVASZVLQ-UHFFFAOYSA-N 287.341 -0.556 50 20 CBGD CCOC(=O)[C@@H](CC(=O)NNC(=O)NC)C(C)=O 823425328 QDVVZNGUBABATO-ZETCQYMHSA-N 259.262 -0.895 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CCCNC(=O)C1CC1 823970018 BBUFCSXXOQAVGN-VIFPVBQESA-N 257.334 -0.363 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 823977320 UFWFMSJONXRHGR-ZJUUUORDSA-N 271.361 -0.023 50 20 CBGD C[C@H](CO)N(C)NC(=O)CNC(=O)c1ccccc1 823993079 KKTUFULEQKQMMR-SNVBAGLBSA-N 265.313 -0.240 50 20 CBGD CC[S@](=O)CCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 826025119 SRHPLGBKPHTOOE-JCULFZFRSA-N 291.373 -0.490 50 20 CBGD O=C(CO)NN=Cc1ccc(-c2nn[nH]n2)cc1F 826415225 XGGNGFJXNQGITO-UHFFFAOYSA-N 264.220 -0.552 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@H](C)C[C@@H](C)N)n1 831203402 UZQNOVTUWJNERL-RKDXNWHRSA-N 296.375 -0.044 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 839665627 HJCDYTMPQOGCKT-HTQZYQBOSA-N 295.251 -0.416 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843647613 UFQCSEMPNIGMBA-HTQZYQBOSA-N 273.289 -0.743 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@@H]2CCS(=O)(=O)N2)n1 845141203 NZZMQBAOEBNCPK-QMMMGPOBSA-N 285.329 -0.772 50 20 CBGD CCNC(=O)CC(=O)NNC(=S)NCC1CCC1 855089299 LTODMWXTSSPHPG-UHFFFAOYSA-N 272.374 -0.192 50 20 CBGD C[C@@H](NC(=O)C1CCCC1)C(=O)NNC(=O)c1cc[nH]n1 855359360 OPPZDCMAUMTBTP-MRVPVSSYSA-N 293.327 -0.134 50 20 CBGD CCn1c(O)nc2cc(C(=O)NNC(=O)CO)ccc21 857170630 QFDXSCUHLLABQX-UHFFFAOYSA-N 278.268 -0.485 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCCC2CC2)N1 858257134 DDTJHOYXWDMVNI-MRVPVSSYSA-N 254.290 -0.605 50 20 CBGD COc1ccnc(NNC(=O)[C@@H](C)[C@H]2CCC(=O)N2)n1 858404547 VJJURMXOFRRLKL-JGVFFNPUSA-N 279.300 -0.157 50 20 CBGD O=C(NNC(=O)c1cc[nH]n1)c1cn(C2CC2)nn1 862167730 ALSVHPMXSJZCKX-UHFFFAOYSA-N 261.245 -0.589 50 20 CBGD CC1CCN(C(=O)C(=O)NNC(=O)c2cn[nH]c2)CC1 862470534 HCKOMSDNWYKDCK-UHFFFAOYSA-N 279.300 -0.571 50 20 CBGD Cc1nc(C(=O)NNC(=O)CS(C)(=O)=O)sc1C 863465274 ZUDRMSJOLSOKDG-UHFFFAOYSA-N 291.354 -0.434 50 20 CBGD CO[C@@H](CC(C)C)C(=O)NNC(=O)CS(C)(=O)=O 863465455 DRVVBBAJHMIEJJ-QMMMGPOBSA-N 280.346 -0.761 50 20 CBGD O=C1CN(CC(=O)NNc2ccc(F)c(F)c2)CCN1 885115262 DKXIRKRDICMXRR-UHFFFAOYSA-N 284.266 -0.160 50 20 CBGD C=CC(=O)N(CC)CC(=O)NNC(=O)c1cccn1C 900001897 FRKSJKPLCWJMJM-UHFFFAOYSA-N 278.312 -0.179 50 20 CBGD Cc1cnc2c(C(=O)NNC(=O)N(C)C)cnn2c1 900428380 VCICXLMTWGRCIY-UHFFFAOYSA-N 262.273 -0.046 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21 906570757 IFZJQANIDAZIGS-TVYUQYBPSA-N 273.292 -0.003 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)CC1(O)CCC1 913733810 WRLYQLLDKUUEIT-UHFFFAOYSA-N 269.301 -0.939 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H](C)CN1CCOCC1 916117763 MCFBDAHJPHDLAS-JTQLQIEISA-N 288.417 -0.142 50 20 CBGD O=C(NNC(=O)[C@H]1CCn2ccnc2C1)c1cn[nH]c1 1118942483 FFFHEWNICRXRER-QMMMGPOBSA-N 274.284 -0.370 50 20 CBGD O=C(CO)NNC(=O)c1cncc(OCC(F)F)c1 1320967616 LEOZQNLWJIVYQN-UHFFFAOYSA-N 275.211 -0.521 50 20 CBGD COCCONC(=O)NNc1nncc(N)c1Cl 1320975125 XTHIHYXUNXLBHT-UHFFFAOYSA-N 276.684 -0.084 50 20 CBGD Cn1nncc1NNC(=O)CCOC[C@@H]1CCCO1 1325023644 UXZXRTWPOOLWQU-VIFPVBQESA-N 269.305 -0.156 50 20 CBGD Cc1nn(C)c(NC(=O)C(=O)NNC(=O)CC2CC2)c1C 1325516812 UUCZVGMYYOZMEJ-UHFFFAOYSA-N 293.327 -0.077 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCCC(=O)OC(C)C 1325555144 ZHSQHVPSVYYYAB-UHFFFAOYSA-N 289.288 -0.778 50 20 CBGD C[C@@H](C(=O)NNC(=O)Cc1cccnc1)[C@@H]1CCC(=O)N1 1329223274 OCWCDRAGIIYJOB-KOLCDFICSA-N 290.323 -0.314 50 20 CBGD Cc1noc(C)c1C=NNC(=O)CS(C)(=O)=O 1330142779 MQLCUFNYPHOBQV-UHFFFAOYSA-N 259.287 -0.214 50 20 CBGD CCc1nn(C)cc1C(=O)NNC(=O)CN1CCCC1=O 1335090691 UXDIHPKWAPAVKB-UHFFFAOYSA-N 293.327 -0.634 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1c(C)c(C)nn1C 1337961662 UFRFITNHBFUWPS-UHFFFAOYSA-N 267.289 -0.467 50 20 CBGD O=C(Cc1cc(O)nc(O)n1)NN=Cc1cccnc1 1339605065 PINGEEAHHIHOPZ-UHFFFAOYSA-N 273.252 -0.024 50 20 CBGD Cn1nc(C(=O)NNC(=O)NCC2CC2)cc1N 1579989793 NXURHGJKTQFFHX-UHFFFAOYSA-N 252.278 -0.644 50 20 CBGD Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNc1nc[nH]n1 1580464836 CKGVAAZOBZTRAW-UHFFFAOYSA-N 274.248 -0.622 50 20 CBGD C[C@H](CC(=O)O)C(=O)NNC(=O)c1ncccn1 1592360347 USONBRFDBCLJOS-ZCFIWIBFSA-N 252.230 -0.652 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1[C@H]2CC[C@H]1[C@H](C(=O)O)C2 1594712384 JWHASDSPKKAGPQ-RGOKHQFPSA-N 283.328 -0.130 50 20 CBGD O=C(O)C[C@@H]1CCCN1CC(=O)NNC(=O)C1CC1 1610763019 NIMPWWXUAUWRIC-VIFPVBQESA-N 269.301 -0.517 50 20 CBGD COC(=O)NNC(=O)Nc1ccc(S(N)(=O)=O)cc1 16499628 DQMWTXQRZKGZNK-UHFFFAOYSA-N 288.285 -0.274 50 20 CBGD CCS(=O)(=O)CC(=O)NNC(=O)c1ccccc1O 48911718 ZENBDGCVLLJDCE-UHFFFAOYSA-N 286.309 -0.412 50 20 CBGD CN1CCN(CC(=O)NNc2ccc(F)cn2)CC1 215467364 JLBYUFVBMWAXFL-UHFFFAOYSA-N 267.308 -0.089 50 20 CBGD O=C(NNC(=O)[C@]1(O)CCSC1)c1ccc[nH]1 270856162 ZVUMDLMJMWTQFX-JTQLQIEISA-N 255.299 -0.356 50 20 CBGD COCCC(=O)NNC(=O)CNC(=O)OC(C)(C)C 494741357 FGVQPNRBQDFELY-UHFFFAOYSA-N 275.305 -0.305 50 20 CBGD COC(=O)N(C)NC(=O)CCN1C(=O)CCC1=O 495626758 QWUHJNSKIPYTLN-UHFFFAOYSA-N 257.246 -0.745 50 20 CBGD CN(NC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1)C(N)=O 496663050 VRWLHKRLKNEVMH-UHFFFAOYSA-N 288.304 -0.990 50 20 CBGD CC(C)[C@H](O)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 496962023 LPJUPWJEKIYEBN-VIFPVBQESA-N 289.332 -0.325 50 20 CBGD O=C(NC1CCSCC1)c1cccc(B(O)O)c1 584936979 NWZHMPUDCBVKMF-UHFFFAOYSA-N 265.143 -0.008 50 20 CBGD N#C[C@@]1(F)CCN(C(=O)c2cccc(B(O)O)c2)C1 584978837 DUACZXIIKDIGTO-LBPRGKRZSA-N 262.049 -0.556 50 20 CBGD CO[C@@H](C)[C@H](C)NC(=O)c1cccc(B(O)O)c1 584979455 UKVWQTWKFHQVOW-IUCAKERBSA-N 251.091 -0.480 50 20 CBGD C[C@H](CCCCO)NC(=O)c1cc(B(O)O)ccc1F 584996128 YIQCLAZXCFWHSM-SECBINFHSA-N 283.108 -0.214 50 20 CBGD COC[C@H]1CCCN1C(=O)c1ccc(B(O)O)c(F)c1 585010090 JJWWFCKXLXRALS-SNVBAGLBSA-N 281.092 -0.244 50 20 CBGD CNC(=O)[C@@H]1CCCC[C@@H]1NCc1ccccc1B(O)O 585029033 BFMQIKDHJFTUEC-OCCSQVGLSA-N 290.172 -0.239 50 20 CBGD C[C@@H](NCc1cccc(B(O)O)c1)c1ncnn1C 585038198 WBIWTFVFAKFSPE-SECBINFHSA-N 260.106 -0.654 50 20 CBGD CCCN1C[C@@H](NCc2ccccc2B(O)O)CC1=O 585048974 YZVTWBFBIUVXDO-LBPRGKRZSA-N 276.145 -0.533 50 20 CBGD COCc1ccc(S(=O)(=O)NCB(O)O)cc1 585056499 WJDZYFGNISNRFV-UHFFFAOYSA-N 259.092 -0.877 50 20 CBGD Cc1ccc(C(=O)NCC(=O)NCB(O)O)cc1C 585062057 CASPQNSWKLRICD-UHFFFAOYSA-N 264.090 -0.839 50 20 CBGD OB(O)[C@H]1CCN(c2nccc(N3CCOCC3)n2)C1 585078732 KQQXASTVAQPLGV-JTQLQIEISA-N 278.121 -0.634 50 20 CBGD CS(=O)(=O)NC1CN(S(=O)(=O)CCCCl)C1 702950987 GHTSYTDVRLWUQP-UHFFFAOYSA-N 290.794 -0.822 50 20 CBGD CCOCC(=O)NNC(=O)NCCOC[C@H]1CCOC1 731763300 VQWYELXOSWNRRY-JTQLQIEISA-N 289.332 -0.594 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])o2)cn1 735445495 XXOWZUMGHHUXPG-UHFFFAOYSA-N 279.212 -0.004 50 20 CBGD O=C(NNc1ncnc2[nH]cnc12)[C@@H]1COCCO1 740746375 XPOVMYALMDMJPD-LURJTMIESA-N 264.245 -0.789 50 20 CBGD CSCCNC(=S)NNC(=O)c1cnc[nH]1 770245013 BALKZUDMEYKHCY-UHFFFAOYSA-N 259.360 -0.118 50 20 CBGD CN(NC(=O)C1CCN(C(=O)N2CCCC2)CC1)C(N)=O 770439617 PBFLECMMBJPARG-UHFFFAOYSA-N 297.359 -0.044 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](O)C1CC1 772095999 HSNLRMNRPYLRRW-KWQFWETISA-N 286.328 -0.118 50 20 CBGD O=C(CO)NNC(=O)c1cccc([N+](=O)[O-])c1O 777781169 JCGOWNWCCLCFGH-UHFFFAOYSA-N 255.186 -0.946 50 20 CBGD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)C1CCCC1 779500965 ZSQVHIJXGCGWRK-LDYMZIIASA-N 297.355 -0.400 50 20 CBGD COC(=O)CNC(=O)NN=Cc1ccc(C#N)o1 779820461 AAYUBNABMVMHED-UHFFFAOYSA-N 250.214 -0.043 50 20 CBGD COC[C@H](C)n1ccc(NC(=O)NNC(=O)CO)n1 779934961 JPJQNVKUMLFZHM-ZETCQYMHSA-N 271.277 -0.765 50 20 CBGD Cc1nscc1C(=O)NNC(=O)C(=O)N1CCCC1 781327946 VMVUMUSBALXYIM-UHFFFAOYSA-N 282.325 -0.165 50 20 CBGD O=C(CN1C[C@@H]2C[C@@]2(CO)C1)NNC(=O)c1ccccc1 782633314 NYVVCHWOIIAWQH-WFASDCNBSA-N 289.335 -0.238 50 20 CBGD COc1nccnc1NNC(=O)[C@H]1CCC(=O)N1C 791225312 JQJUQTBFIIDUMN-SSDOTTSWSA-N 265.273 -0.451 50 20 CBGD Cc1cccc(C(=O)NNC(=O)NCC(=O)NC(C)C)n1 792778603 VDTVSAWPLUDGFT-UHFFFAOYSA-N 293.327 -0.141 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NN=C1C(=O)OC[C@@H]1C 794879477 MQUARQXDNRUUFA-UWVGGRQHSA-N 283.328 -0.380 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1cccc2c1OCO2 800834224 RFLJVNVNVKMREP-UHFFFAOYSA-N 287.297 -0.072 50 20 CBGD O=C(CO)NNC(=O)N[C@H](C1CC1)C(F)(F)F 808866717 YGVLKHCSCFDBGN-ZCFIWIBFSA-N 255.196 -0.350 50 20 CBGD CNC(=O)NCCC(=O)NNC(=O)NC1CCCC1 814648482 UYKIDKJFLAUXLQ-UHFFFAOYSA-N 271.321 -0.422 50 20 CBGD O=C(CC1CCCC1)NCC(=O)NNc1nc[nH]n1 816632257 AJMNRLCODRJSJB-UHFFFAOYSA-N 266.305 -0.056 50 20 CBGD CC1=C(C(=O)NN(C)C2CC2)Cn2nnnc2N1C 819652686 ZZPZEMILQKYQTH-UHFFFAOYSA-N 263.305 -0.478 50 20 CBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)NCC1CC1 823804700 SMMIAQKZQSVTQN-ZETCQYMHSA-N 292.361 -0.945 50 20 CBGD CCN(CCO)NC(=O)C1(C(=O)NC2CC2)CCC1 823855781 GAYULFUDFZBIKG-UHFFFAOYSA-N 269.345 -0.219 50 20 CBGD CC(C)CN1N=C(C(=O)NN(C)[C@H](C)CO)CCC1=O 823934076 BGGHGUDQFRTQAO-SNVBAGLBSA-N 284.360 -0.035 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CNC(=O)CC(C)(C)C 823965619 QHDTYRXKSKAYQR-VIFPVBQESA-N 259.350 -0.117 50 20 CBGD Cc1nc[nH]c1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 824016976 XFECAYHMVPZLAK-SFYZADRCSA-N 252.274 -0.096 50 20 CBGD CC(=NNC(=O)c1cccn1C)c1cn(CC(=O)O)nn1 825804382 HQHZBGQNGSDRTB-UHFFFAOYSA-N 290.283 -0.145 50 20 CBGD CCN1CCN(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1=O 827283278 OXTYHAFDOPQVLT-ZJUUUORDSA-N 298.343 -0.684 50 20 CBGD O=C(O)NNS(=O)(=O)c1cc(C(=O)O)ccc1O 833280715 PPMGUJFXWZRZFB-UHFFFAOYSA-N 276.226 -0.449 50 20 CBGD CCN1C[C@@H](NC(=O)NNc2ncncc2F)CC1=O 836607305 IHSNXTYCCMVVME-ZETCQYMHSA-N 282.279 -0.137 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cc3n(n2)CCC3)CC1 854383239 ZJSVOQRLXHHLKD-UHFFFAOYSA-N 292.343 -0.569 50 20 CBGD CCC[C@@H](OC)C(=O)NNC(=O)C(=O)NC(C)C 857433140 RNGRIGNHQFBWNZ-MRVPVSSYSA-N 259.306 -0.527 50 20 CBGD CNC(=O)[C@H](CC(C)C)NC(=O)c1cccc(B(O)O)c1 863877850 KUPAPSILFXTAGQ-LBPRGKRZSA-N 292.144 -0.743 50 20 CBGD COC(=O)C1(CNCc2ccc(B(O)O)cc2)CC1 863891540 SGDWHUVLFNCXEQ-UHFFFAOYSA-N 263.102 -0.591 50 20 CBGD O=C1O[C@H](C(=O)N2CC[C@H](B(O)O)C2)Cc2ccccc21 864231338 LUEKQZSAIQASDM-JQWIXIFHSA-N 289.096 -0.157 50 20 CBGD COCCN(C)NC(=O)/C=C\CN1CCOCC1 868242152 DHISUEDHHNQMDB-ARJAWSKDSA-N 257.334 -0.516 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CC12CCC2 869908219 KWIZIWSWUNISKW-VIFPVBQESA-N 256.302 -0.013 50 20 CBGD COC(=O)N(C)NC(=O)NC[C@]1(C)CCC(=O)N1 875655046 ZVOGZYROFRXEIK-JTQLQIEISA-N 258.278 -0.433 50 20 CBGD CO[C@H]1CN[C@@](C)(C(=O)NNc2ncccn2)C1 876590377 UYMWUYWMKRZPNX-LDYMZIIASA-N 251.290 -0.313 50 20 CBGD C[C@@H]1[C@H](C(=O)NNC(=O)C2CCOCC2)CCN1C 883069076 SXKQAGITMVSVFS-MWLCHTKSSA-N 269.345 -0.099 50 20 CBGD C#CCCCC(=O)NNC(=O)CS(=O)(=O)CC 887141800 JFGAMNCKFPBEFY-UHFFFAOYSA-N 260.315 -0.628 50 20 CBGD COC(=O)[C@@H]1CC[C@H](NCc2ccc(B(O)O)cc2)C1 896126737 SDMAJXLTTYUNBT-YPMHNXCESA-N 277.129 -0.202 50 20 CBGD CN(C)CCn1nccc1C(=O)NNC(=O)c1ccc[nH]1 899993554 YMZYKWFLRFVXLT-UHFFFAOYSA-N 290.327 -0.152 50 20 CBGD O=C(CN1CCCCCC1=O)NNC(=O)[C@@H]1CCOC1 921202738 BZSKYXNLBAHHSM-SNVBAGLBSA-N 283.328 -0.427 50 20 CBGD CCN(CC(=O)NNC(=O)C1CC1)C(C)(C)C(=O)OC 933193614 PUXBLTWTZYCIMV-UHFFFAOYSA-N 285.344 -0.183 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)NC2CC2)nc1 1115927291 PQQSMZSQYCADAL-UHFFFAOYSA-N 263.257 -0.713 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)CC(C)(C)O)nc21 1116856517 DCNLMHBJBVMAEA-UHFFFAOYSA-N 280.288 -0.327 50 20 CBGD CCOCC(=O)NNC(=O)NCc1ccc(C(N)=O)nc1 1319022698 AZAHWVLIXPBEBQ-UHFFFAOYSA-N 295.299 -0.953 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)COc1ccccc1 1319299919 NLSLOZXIIGNAGV-VIFPVBQESA-N 295.295 -0.043 50 20 CBGD CCc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)nn1C 1320099109 RUTWPNMYMFKWRS-UHFFFAOYSA-N 293.327 -0.634 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cccc(CN(C)C)c1 1320348814 DVKLGNBZABLRRN-UHFFFAOYSA-N 278.312 -0.146 50 20 CBGD CC(C)(C=NNC(=O)CN1CCCC1=O)S(C)(=O)=O 1322998580 JQENIAZAZJRVRK-UHFFFAOYSA-N 289.357 -0.466 50 20 CBGD CC(C)(C)C(=O)NNC(=O)Cn1cnc([N+](=O)[O-])n1 1323880260 JHQDLYOCBLEIMP-UHFFFAOYSA-N 270.249 -0.620 50 20 CBGD O=C(NNC(=O)c1ccc2nncn2c1)NC1CC1 1325540176 UHNBAYCBNCMBSO-UHFFFAOYSA-N 260.257 -0.164 50 20 CBGD CCN(CC)c1ccnc(NNC(=O)C(=O)NC)n1 1325661519 CZHIBYIEYGOECA-UHFFFAOYSA-N 266.305 -0.488 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCc2cccnc21 1327735703 SBBSJUIQOPEJTE-JTQLQIEISA-N 290.323 -0.217 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 1335667401 VNJZVYJCJYHMHN-YIZRAAEISA-N 297.311 -0.553 50 20 CBGD C#CCOCCN(C)CC(=O)NNC(=O)C1CC1 1336065979 FSGONHHJMVQKSK-UHFFFAOYSA-N 253.302 -0.875 50 20 CBGD CCCNC(=O)[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F 1336198358 HIVUBUYYMKOMKQ-MRVPVSSYSA-N 296.107 -0.850 50 20 CBGD CN(C)Cc1cc(C(=O)NNC(=O)c2cc[nH]n2)no1 1347833865 XXFUSUBJLUJAQG-UHFFFAOYSA-N 278.272 -0.466 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](O)C1CC1 1350778368 HFDKZSLRLZJRCE-VIFPVBQESA-N 271.317 -0.791 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CO[C@@H](CCC(=O)O)C1 1573888060 OJDUKNVHRIXWTO-SFYZADRCSA-N 273.289 -0.393 50 20 CBGD CC#CC[C@H](N)C(=O)NN(C)C(=S)NCCCOC 1574972951 RGCLIESWAGEFNC-JTQLQIEISA-N 286.401 -0.399 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNc1ncccc1C(=O)O 1589881942 FFPSXTVSHOXNBU-SNVBAGLBSA-N 294.311 -0.056 50 20 CBGD CC(C)(NC(=O)c1cc(B(O)O)ccc1F)C(=O)O 1590858314 GTXWQQHKLSMKGE-UHFFFAOYSA-N 269.037 -0.902 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@@H](C)[C@](C)(C(=O)O)C1 1594712251 DGXBUCGETIAKFI-JRKPZEMJSA-N 285.344 -0.025 50 20 CBGD Cn1cc(C=NNC(=O)[C@H]2COCCO2)cc1C(=O)O 1600947119 ZNEFACNJHQPZOC-SNVBAGLBSA-N 281.268 -0.411 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1CC[C@H]1C(=O)O 1601555822 ITVSZPIQOGXFKL-DTWKUNHWSA-N 278.268 -0.233 50 20 CBGD O=C(O)Cc1ccc(NNC(=O)NCC#CCO)cc1 1608780615 ANEUIUVGTUNVGA-UHFFFAOYSA-N 277.280 -0.065 50 20 CBGD CSCCCNC(=S)NNC(=O)C(=O)NC(C)C 8150503 NTIMWBMFGBNKPF-UHFFFAOYSA-N 292.430 -0.241 50 20 CBGD CN(C)N(C(=O)COCC1CC1)[C@H]1CCS(=O)(=O)C1 78797577 HITDYOFNLGFYRS-NSHDSACASA-N 290.385 -0.095 50 20 CBGD Cc1cc(B(O)OC(C)(C)C(C)(C)O)c(C)cc1B(O)O 169980182 KUBSPFRCSUTMPM-UHFFFAOYSA-N 293.965 -0.763 50 20 CBGD NNC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 171733593 WPPUSYGPEPYVKR-UHFFFAOYSA-N 297.258 -0.026 50 20 CBGD Cn1cc(C(=O)NNC(=O)C[C@@H]2CCCO2)cn1 172081248 GJKJSHKGSBTONE-VIFPVBQESA-N 252.274 -0.250 50 20 CBGD CCOc1ccccc1OCC(=O)NNC(=O)[C@@H](C)N 272324010 LPJQTBFNMDDHEH-SECBINFHSA-N 281.312 -0.041 50 20 CBGD CC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)C(C)(C)O 278051787 XBTRYYKXBYRAFS-VIFPVBQESA-N 273.333 -0.545 50 20 CBGD COCCN(C)NC(=O)CCn1c(C)cc(O)cc1=O 288547765 PGYBAPNLDUIHQA-UHFFFAOYSA-N 283.328 -0.138 50 20 CBGD COC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H]2CCCO2)O1 293388605 OVFSVMJAKYHOFE-HRDYMLBCSA-N 286.284 -0.967 50 20 CBGD O=S(=O)(CCCCl)N1CC[C@H](O)[C@@H](CO)C1 396885423 GUSFQKDVQGKWNS-BDAKNGLRSA-N 271.766 -0.380 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNC(=S)NCCSC 494571255 FEQDEDMZBDZAAE-LURJTMIESA-N 294.402 -0.411 50 20 CBGD C[C@H](O)CCNC(=O)c1ccc(B(O)O)c(F)c1 584947857 CYYWITMITATRRJ-ZETCQYMHSA-N 255.054 -0.994 50 20 CBGD CC(C)[C@](C)(O)CNC(=O)c1ccc(B(O)O)c(F)c1 584954799 ONOPRAVQLCHKEA-CYBMUJFWSA-N 283.108 -0.358 50 20 CBGD O=C(N[C@@H]1CCCC[C@H]1O)c1ccc(B(O)O)cc1 584966376 YNOSRCLZIXJUKJ-VXGBXAGGSA-N 263.102 -0.600 50 20 CBGD O=C(N[C@@H](CO)CC(F)F)c1cc(B(O)O)ccc1F 584984019 WBHDPCOMQOYNJH-SSDOTTSWSA-N 291.034 -0.749 50 20 CBGD O=C(NC[C@H]1CCSC1)c1cc(B(O)O)ccc1F 584984418 YFVXCDLMAGQMNI-MRVPVSSYSA-N 283.133 -0.012 50 20 CBGD CO[C@@](C)(CNC(=O)c1ccc(B(O)O)cc1)C1CC1 584990918 OEZSFEIHRIYNGK-AWEZNQCLSA-N 277.129 -0.089 50 20 CBGD CO[C@@H](C1CC1)[C@@H](C)NC(=O)c1cccc(B(O)O)c1 584996490 JBKJNPKEOYZZPI-NOZJJQNGSA-N 277.129 -0.090 50 20 CBGD C[C@H](NCc1ccc(B(O)O)o1)C(=O)NC(C)(C)C 585022415 NMXAZBNKNDYLFI-QMMMGPOBSA-N 268.122 -0.648 50 20 CBGD CC(C)N1CC[C@@H](NCc2ccc(B(O)O)cc2F)C1=O 585028867 OMZFQAMPQVYFAH-CYBMUJFWSA-N 294.135 -0.396 50 20 CBGD C[C@H](CCN1CCOCC1)NCc1cccc(B(O)O)c1 585032678 KSDSIHRSVYQCEH-CYBMUJFWSA-N 292.188 -0.433 50 20 CBGD C[C@H](NCc1ccccc1B(O)O)c1ccn(C)n1 585045857 ISSVHMAKTDYCNA-JTQLQIEISA-N 259.118 -0.049 50 20 CBGD O=C(Cc1ccccn1)NNC(=O)[C@H]1C[C@H]1C(=O)O 739349432 MPEUUYSXOMVWIO-DTWKUNHWSA-N 263.253 -0.508 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NC2CCCC2)CN1 744053193 GHEAJTQNBCLFSY-MRVPVSSYSA-N 268.317 -0.214 50 20 CBGD CN(C)CCCNC(=O)NNC(=O)Cc1ccncc1 747573719 HBWNRLOSSGBVEU-UHFFFAOYSA-N 279.344 -0.094 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 753442431 GJWDEICDMDNFRY-SECBINFHSA-N 277.280 -0.821 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=O)COc1ccc(C)cc1 754972690 BXBUPKLIXRMWJU-AWEZNQCLSA-N 296.323 -0.081 50 20 CBGD Cn1nnc2cc(C(=O)NN=c3cc[nH]cc3)cnc21 756187653 PPDPSJHHQNRCLJ-UHFFFAOYSA-N 269.268 -0.063 50 20 CBGD COc1ccnc(NNC(=O)NCc2ncn(C)n2)n1 768992921 RIMACGVMTAXQDA-UHFFFAOYSA-N 278.276 -0.560 50 20 CBGD CC(=O)Nc1cncc(C(=O)NNC(=O)c2nc[nH]n2)c1 781431142 LXFRDYRJCAIQSY-UHFFFAOYSA-N 289.255 -0.767 50 20 CBGD C[C@@H]1COC(=O)C1=NNC(=O)CN1CCCC1=O 794879539 NHCZYTBUZBPUTO-SSDOTTSWSA-N 253.258 -0.726 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)N=c1cc[nH]cc1 802035122 AJQSMPPMCLOVHV-ZETCQYMHSA-N 265.273 -0.819 50 20 CBGD O=C(CNC(=O)c1cccnc1)NN=C1CC(C(=O)O)C1 814873938 XABLJAJNMLQQKB-UHFFFAOYSA-N 290.279 -0.222 50 20 CBGD CCOC(=O)N1CSC[C@H]1C(=O)NN(C)C[C@@H](C)O 822562965 FJIRENMWMVADSZ-BDAKNGLRSA-N 291.373 -0.138 50 20 CBGD C[C@H]1CCCN(C(=O)C(=O)NN(C)[C@H](C)CO)C1 823934731 JBWYJNHEVRWZRY-VHSXEESVSA-N 257.334 -0.411 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cnn(C)c1 825753440 LVFNLWWZEBBTKC-PSASIEDQSA-N 281.316 -0.325 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@H](C)N1 843351878 IWLMGWOUEOYQOO-DTORHVGOSA-N 254.334 -0.774 50 20 CBGD O=C(CN1CC[C@@]2(CCNC2)C1)NNC(=O)C1CC1 843368191 ONSRCTPLLZLQGP-CYBMUJFWSA-N 266.345 -0.771 50 20 CBGD COC/C(C)=C/C(=O)NNC(=O)c1cnn(C)c1 844395855 YBMLVYAFKWHODV-XBXARRHUSA-N 252.274 -0.226 50 20 CBGD C[C@H]1CCCCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858694527 QMDXEKHODXHINJ-IUCAKERBSA-N 268.317 -0.120 50 20 CBGD C=CC(=O)N(C)CC(=O)NNC(=O)c1c[nH]nc1C 859266093 CXKVCRRPKLOECB-UHFFFAOYSA-N 265.273 -0.876 50 20 CBGD O=C1N[C@H](C(=O)NNc2nc3ccccn3n2)CCO1 861295525 RFBLFFPKDMPLHW-ZETCQYMHSA-N 276.256 -0.329 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CC23CCC3)N1 862456908 WHBMOZDUAJXUQJ-HTQZYQBOSA-N 251.286 -0.397 50 20 CBGD Cc1cc(=NNC(=O)[C@H](CO)NC(=O)C(C)C)cc[nH]1 862513232 BZLIBJWEDLYMST-NSHDSACASA-N 280.328 -0.612 50 20 CBGD CC(C[C@@H]1CCCC(=O)N1)=NNC(=O)[C@@H]1CCC(=O)N1 863151321 KPONWQYTVYRDNP-UWVGGRQHSA-N 280.328 -0.184 50 20 CBGD C#C[C@@H](NCc1cccc(B(O)O)c1)[C@@H]1CCCO1 863890625 AYAQELCDBNZLES-KGLIPLIRSA-N 259.114 -0.363 50 20 CBGD COCCOCC(=O)NNC(=O)Cn1nccc1C 869900944 JUAVHFZQWDJKAZ-UHFFFAOYSA-N 270.289 -0.998 50 20 CBGD CO[C@H]1C[C@H](NC(=O)NNC(=O)C(=O)N2CCCC2)C1 875906910 XMDQYQRMPLRRHN-KYZUINATSA-N 284.316 -0.883 50 20 CBGD OB(O)c1ccccc1CN[C@H]1CCN(CC2CC2)C1 877024602 IZXHHBMLCRZFCI-AWEZNQCLSA-N 274.173 -0.060 50 20 CBGD CCOCCOCCNC(=O)c1cc(B(O)O)ccc1F 885748881 GDDCMEBZKKXVOK-UHFFFAOYSA-N 299.107 -0.712 50 20 CBGD CC(C)C(=O)NNC(=O)CNC(C)(C)C(=O)N1CCCC1 886521265 XQJYDGBSVOWGJR-UHFFFAOYSA-N 298.387 -0.220 50 20 CBGD Cc1occc1C(=O)NCC(=O)NN(C)C[C@@H](C)O 910152410 QDFPJTOESOWXBM-MRVPVSSYSA-N 269.301 -0.338 50 20 CBGD CCN(CCO)NC(=O)Cn1ccc(C(=O)OC)n1 911440513 UTBKWKMYLWTQLM-UHFFFAOYSA-N 270.289 -0.985 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=O)c1ccc(C)cc1O 918341066 LMKFOJHANLKNAB-MRVPVSSYSA-N 279.296 -0.014 50 20 CBGD CC(C)NC(=S)NNC(=O)CS(=O)(=O)C(C)C 1115866480 YDDOJKJBOYOLLL-UHFFFAOYSA-N 281.403 -0.287 50 20 CBGD CC(=O)NNC(=O)c1ccc2c(c1)NC(=O)CNC2=O 1117697555 GOROPLINHXULJC-UHFFFAOYSA-N 276.252 -0.851 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cccnc1F 1117705495 SMNVAUZFTBDHHM-UHFFFAOYSA-N 268.248 -0.494 50 20 CBGD CCCN1CC[C@H](NC(=O)NNC(=O)c2cccnn2)C1 1119349285 GURROENNPGSRFY-JTQLQIEISA-N 292.343 -0.095 50 20 CBGD CNC(=S)N(C)NC(=O)CCCn1cncn1 1262174918 NRVXEKIYKQMVDE-UHFFFAOYSA-N 256.335 -0.474 50 20 CBGD C[C@@H](CS(C)(=O)=O)NC(=O)NNC(=O)c1ccc[nH]1 1322828735 PFHLADFKORLMIG-ZETCQYMHSA-N 288.329 -0.608 50 20 CBGD Cn1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2)n1 1323792102 IXEQQOMMGFSFFH-UHFFFAOYSA-N 287.279 -0.180 50 20 CBGD NC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)Cc2cc[nH]n2)C1 1324409497 VYCVMVDTEZGUKV-DTWKUNHWSA-N 293.327 -0.609 50 20 CBGD C[C@@H](NC(=S)NNC(=O)C(=O)c1cnn(C)c1)C1CC1 1328430515 HFVQRBNDEWOEGR-SSDOTTSWSA-N 295.368 -0.103 50 20 CBGD O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H](B(O)O)C1 1329670611 BRGUUMIQQRIJKN-ZCFIWIBFSA-N 254.007 -0.123 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@@H]2CCSC2)N1 1332649355 FFZIHXAAMIGUSV-YUMQZZPRSA-N 286.357 -0.652 50 20 CBGD COC(=O)CCCC(=O)NNC(=O)C1CCOCC1 1333149206 MZUNRXJINWPRBI-UHFFFAOYSA-N 272.301 -0.096 50 20 CBGD O=C(/C=C\CN1CCOCC1)NNC(=O)C1CCOCC1 1335190032 GDDOKCHCEDABHH-UPHRSURJSA-N 297.355 -0.551 50 20 CBGD O=C(CCn1ccnc1)NNC(=O)C1CCOCC1 1339765917 LDSKTEGRDSDIQM-UHFFFAOYSA-N 266.301 -0.153 50 20 CBGD COC(=O)c1cc(C=NNC(=O)C(N)=O)n(C)c1C 1339966726 NQJNLNGZCVSJFP-UHFFFAOYSA-N 266.257 -0.944 50 20 CBGD O=C(COCc1ccccn1)NNC(=O)[C@@H]1CCC(=O)N1 1350103810 QBOCNMNAGQKSFM-JTQLQIEISA-N 292.295 -0.976 50 20 CBGD CCN(CC)C(=O)CNC(=O)NNC(=O)c1cn[nH]c1 1352107609 WDJUMVGDVYOTST-UHFFFAOYSA-N 282.304 -0.778 50 20 CBGD CC(C)NC(=O)NNC(=O)c1cc(C(=O)O)nn1C 1588925298 IGNNHQDOPDYASQ-UHFFFAOYSA-N 269.261 -0.529 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C(=O)O)C(C)C 1589424978 LBHGPVTXYHCNRH-IONNQARKSA-N 288.300 -0.168 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1[C@H]2CC[C@H]1[C@@H](C(=O)O)C2 1594712382 JWHASDSPKKAGPQ-KATARQTJSA-N 283.328 -0.130 50 20 CBGD O=C(CC[C@@H]1C[C@H](C(=O)O)CO1)NNc1nc[nH]n1 1601284988 LCKIJANBLFYGEE-NKWVEPMBSA-N 269.261 -0.482 50 20 CBGD O=C(NC[C@H]1C[C@H]1C(=O)O)NNc1cccnn1 1601527805 KIROZEUHOJBUFC-RNFRBKRXSA-N 251.246 -0.177 50 20 CBGD Cc1cccnc1C(=O)NNC(=O)[C@@H](C)C(=O)O 1611210111 VDZKFRAJCDVEGL-SSDOTTSWSA-N 251.242 -0.128 50 20 CBGD CC(=O)NNC(=O)CCN1C(=O)COc2ccccc21 23198887 NKWIIMUCPBARMG-UHFFFAOYSA-N 277.280 -0.031 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@H]2CNCCO2)n1 163326820 VWZYVQGHIGVREX-SECBINFHSA-N 251.290 -0.475 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc(C#N)cs1 176287307 LKOFCSFTSQOHMM-UHFFFAOYSA-N 252.299 -0.058 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1COCCN1C1CCCC1 192994944 WAWYWHZMPXPBGI-NSHDSACASA-N 284.360 -0.068 50 20 CBGD Cc1ccn(CC(=O)NNc2ncnc3nc[nH]c23)c(=O)c1 195146823 NTVBWYABIAAZLK-UHFFFAOYSA-N 299.294 -0.034 50 20 CBGD CC1=C(C(=O)NNC(=O)N(C)C)[C@@H](C)n2ncnc2N1C 195151002 ZFFRXAXDXIRAAG-MRVPVSSYSA-N 293.331 -0.135 50 20 CBGD COCCS(=O)(=O)NNC(=O)c1ccc(Cl)nc1 267105309 XKDLHPXCLHNXLP-UHFFFAOYSA-N 293.732 -0.054 50 20 CBGD C=C(C)[C@H](CC(=O)NNC(=O)C(=O)NC1CC1)OCC 270164266 ZSKQJPBNSWUSHP-JTQLQIEISA-N 283.328 -0.216 50 20 CBGD CN(C)[C@@H](C(=O)NNC(=O)CC1CC1)c1cncn1C 294178016 ODSRCPHHXRWBSB-GFCCVEGCSA-N 279.344 -0.030 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCN(C)C[C@@H](C(=O)OC)C1 491172976 AHYDPOISVIZJET-HCRIHEDKSA-N 295.339 -0.006 50 20 CBGD C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(B(O)O)c2)C1 584914339 VBSMGCDBBUQLHX-SNVBAGLBSA-N 290.128 -0.437 50 20 CBGD CCCCN(C)CCNC(=O)c1ccc(B(O)O)cc1 584946078 XCGRDVKLRGBOMY-UHFFFAOYSA-N 278.161 -0.172 50 20 CBGD CCC[C@@](C)(O)CNC(=O)c1cccc(B(O)O)c1 584954816 OUTSRYHRFBUBLA-CYBMUJFWSA-N 265.118 -0.353 50 20 CBGD CCCN1CCC[C@H]1CNC(=O)c1ccc(B(O)O)cc1 584989316 MEJMWJJJNGNPQX-AWEZNQCLSA-N 290.172 -0.029 50 20 CBGD CCCN1CCC[C@H]1CNC(=O)c1cccc(B(O)O)c1 584990037 ZNTQCABGYWKJDR-AWEZNQCLSA-N 290.172 -0.029 50 20 CBGD C[C@@H](CCCO)CNC(=O)c1ccc(B(O)O)c(F)c1 584995992 UIJZPBNSHSMWDN-VIFPVBQESA-N 283.108 -0.356 50 20 CBGD C[C@H](CO)C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 585003972 ZUHKLOHLXNJSKF-LLVKDONJSA-N 291.156 -0.153 50 20 CBGD CCc1nc(CNCc2ccccc2B(O)O)n[nH]1 585043700 SXWYGDOMLGPZAU-UHFFFAOYSA-N 260.106 -0.663 50 20 CBGD Cc1c(C(=O)NCB(O)O)oc2c1C(=O)CCC2 585062115 QGMGRJYIOIBMEY-UHFFFAOYSA-N 251.047 -0.151 50 20 CBGD COc1ccc(CC(=O)NNC(=O)CN(C)C)cc1OC 727366703 QXIPACNDCALBKI-UHFFFAOYSA-N 295.339 -0.045 50 20 CBGD O=C1CC(C(=O)NNC(=O)c2cccc3ncccc23)=NN1 732289595 UMJVRZIYHCZVEG-UHFFFAOYSA-N 297.274 -0.128 50 20 CBGD O=C(CCN1CCCC1=O)NNc1ncnc2[nH]cnc12 740745807 AWSXWBJOKDFTCU-UHFFFAOYSA-N 289.299 -0.192 50 20 CBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)NC(C)C 746176977 XIGKUEDHRGZYPY-UHFFFAOYSA-N 294.377 -0.603 50 20 CBGD CC(=O)N1CC[C@](C)(C(=O)NNC(=O)NC(C)C)C1 746840346 UDHGGWQNNRLAEP-LBPRGKRZSA-N 270.333 -0.016 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)N[C@H]1CCOC1 752254327 XBYZWDLIZLEVSU-VIFPVBQESA-N 295.295 -0.110 50 20 CBGD CCC1(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC1 758044000 LIFJLJATQFQBLZ-ZETCQYMHSA-N 277.346 -0.738 50 20 CBGD CC1(O)CCN(CC(=O)NNC(=O)C2CC2)CC1 759769567 ZAJAEEJQDSOLMB-UHFFFAOYSA-N 255.318 -0.609 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H]1CN2CCCN1CC2 763480242 ZNXLGDIOLDPOLH-NSHDSACASA-N 268.361 -0.430 50 20 CBGD O=C(CN1CCc2n[nH]cc2C1)NNC(=O)C1CC1 773501918 WMGDJWFNBQBBAS-UHFFFAOYSA-N 263.301 -0.675 50 20 CBGD C[C@H](C(=O)NNC(=O)CO)n1nnc(-c2ccccc2)n1 777782188 WHTQZTVUAHYFEM-MRVPVSSYSA-N 290.283 -0.959 50 20 CBGD C[C@H]1C[C@H](C(=O)NNC(=O)N2CCOCC2)CO1 784149017 DBYMRPMUOLTAEB-IUCAKERBSA-N 257.290 -0.516 50 20 CBGD CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)NNC(=O)C1CC1 794576161 HFNKCNZJWQLMKB-ZJUUUORDSA-N 282.344 -0.952 50 20 CBGD O=C(CC1CC1)NNC(=O)[C@H]1COCCN1CC(F)F 819117672 BZVZTRRFCHIYOD-SECBINFHSA-N 291.298 -0.100 50 20 CBGD Cc1ccn2c(=O)c(C(=O)NN(C)[C@@H](C)CO)cnc2c1 823971062 NXBPGCWVFZNWEY-JTQLQIEISA-N 290.323 -0.040 50 20 CBGD CS(=O)(=O)CCC(=O)NNC(=O)NC1CCCC1 824348882 COMQEDLBUBVONP-UHFFFAOYSA-N 277.346 -0.306 50 20 CBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)C(=O)N2CCCC2)CO1 828427141 JDNOCZZLAWQALZ-DTWKUNHWSA-N 284.316 -0.883 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@H](C)C[C@H](C)N)n1 831203398 UZQNOVTUWJNERL-DTWKUNHWSA-N 296.375 -0.044 50 20 CBGD CNC(=O)NCC(=O)NNc1ccc(C(=O)OC)cc1F 837207982 UDWHXFYRENHYJH-UHFFFAOYSA-N 298.274 -0.016 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)N1CC[C@@H](C)C1 842592519 MIXYNXWJQHNYCJ-UTLUCORTSA-N 291.373 -0.381 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H](O)c1cccnc1 843973560 YRLXEBRXGJCWPR-GDPRMGEGSA-N 279.296 -0.313 50 20 CBGD COCCCNC(=O)NNC(=O)C[C@@H](C)CC(=O)OC 847393999 TXJQBEFRAHNEGU-SECBINFHSA-N 289.332 -0.057 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)NC[C@@H](C)C(=O)O)n1 848588591 WVMVYODXRORMJN-SSDOTTSWSA-N 297.315 -0.449 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@H]2CCO[C@H]2CN)n1 852801411 ZUCWDBQXLZLWBD-UWVGGRQHSA-N 265.317 -0.100 50 20 CBGD CNC(=S)N(C)NC(=O)Cn1c(C)cc(O)cc1=O 854924022 CBRPTULSCBGCTN-UHFFFAOYSA-N 284.341 -0.670 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)c2cn[nH]c2)CCO1 862470273 CTOJVOBZLDZFIS-HTQZYQBOSA-N 252.274 -0.014 50 20 CBGD Cc1cc(C)n(CCCC(=O)NNC(=O)CO)n1 897605323 FCRJPTPQVPCZKY-UHFFFAOYSA-N 254.290 -0.580 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=S)NC(C)(C)C)C1 899996806 UCUDSIBLQROMAY-MRVPVSSYSA-N 274.390 -0.389 50 20 CBGD C[C@H](O)CN(C)NC(=O)C(=O)N1CCC[C@H](C)C1 910161085 RRGPKRVRLSEUMA-UWVGGRQHSA-N 257.334 -0.411 50 20 CBGD CC[C@@H](C(=O)NNC(=O)c1ncccn1)N(C)C 910915352 XYZIUMSCERWSRW-QMMMGPOBSA-N 251.290 -0.422 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@@H]2CSCC(=O)N2)n1 929715314 JWFUCKCGAGHLOD-QMMMGPOBSA-N 281.341 -0.232 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)c1cn[nH]c1 1116910016 SBRRNVQLPURQIC-UHFFFAOYSA-N 251.168 -0.084 50 20 CBGD Cn1cc(C(=O)NNC(=O)Cc2cccnc2)nn1 1117584107 MMXWLMYLZNIFTF-UHFFFAOYSA-N 260.257 -0.786 50 20 CBGD Cn1nncc1C(=O)NNc1nc2ccccn2n1 1321332600 PQCHLCRHHBDFJP-UHFFFAOYSA-N 258.245 -0.385 50 20 CBGD Cn1cc(CNC(=O)NNC(=O)c2ccc[nH]2)cn1 1321931221 FYXQAKMECZNOQZ-UHFFFAOYSA-N 262.273 -0.108 50 20 CBGD Cc1nnc(NNC(=O)CS(=O)(=O)C(C)C)nc1O 1323467488 BTILZUGUMUJEJO-UHFFFAOYSA-N 289.317 -0.848 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(O)CCOCC1 1326661994 RIJRETONBDMWTB-BDAKNGLRSA-N 272.301 -0.900 50 20 CBGD O=C(NNc1cccc(Cl)n1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 1328396460 YTUNCHNKMCAKAY-SOCHQFKDSA-N 299.714 -0.409 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@@H]1CCCS(=O)(=O)C1 1329630959 MNFUZVIOKIAHLQ-MRVPVSSYSA-N 277.346 -0.450 50 20 CBGD CCOc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 1331802666 GFDSNVCIVCXTRG-SECBINFHSA-N 292.295 -0.480 50 20 CBGD C[C@H](O)CN(C)NC(=O)CCc1nc(N(C)C)no1 1339538598 DLVFSJYSJYAIEO-QMMMGPOBSA-N 271.321 -0.588 50 20 CBGD CC1(C)CNC[C@H]1NC(=O)NNC(=O)C1CCOCC1 1576471888 FCURMAQWDWVYEF-SNVBAGLBSA-N 284.360 -0.259 50 20 CBGD CC[C@@]1(C(=O)NNC(=O)COCCOC)CCNC1 1577198186 GUOQKMWZCHJSIE-GFCCVEGCSA-N 273.333 -0.814 50 20 CBGD COc1cccc(C[C@@H](N)C(=O)NN(C)[C@@H](C)CO)c1 1579273940 CISBGRVUFNZGFO-GXFFZTMASA-N 281.356 -0.091 50 20 CBGD Cn1ncc(N)c1C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1580004888 JHMMBDVLFZYVMQ-ZXFLCMHBSA-N 279.300 -0.669 50 20 CBGD O=C(NCc1ccco1)NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1601543819 LCBMTCPZCJAHIT-BDAKNGLRSA-N 297.267 -0.258 50 20 CBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1cccc2cc[nH]c12 1608531270 WNYDXCZTMROHDN-UHFFFAOYSA-N 290.235 -0.662 50 20 CBGD O=C(NCc1cccc2c1OCO2)NNC(=O)C(=O)O 1610698039 ICJNPDWJSLSDFS-UHFFFAOYSA-N 281.224 -0.670 50 20 CBGD C[C@H](Oc1cccnc1)C(=O)NNC(=O)C(=O)NC1CC1 265600904 UUBPWFYXIQYYDH-QMMMGPOBSA-N 292.295 -0.725 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCN2C(=O)CCC2=O)[nH]n1 268899076 ZMIRKFGCBGJYHU-UHFFFAOYSA-N 293.283 -0.982 50 20 CBGD C=C(C)[C@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)NC(C)C 278899254 YELYDLOGXCRQCO-NXEZZACHSA-N 283.328 -0.360 50 20 CBGD COC(=O)N(C)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 285774336 AJTHVJWBGMTSON-GFCCVEGCSA-N 298.299 -0.564 50 20 CBGD O=C(Cn1cc(Cl)cn1)NNC(=O)N1CCOCC1 291462806 IGNLVVPHLOCLKU-UHFFFAOYSA-N 287.707 -0.391 50 20 CBGD Cn1cnn(CCC(=O)NNC(=O)C(C)(C)C)c1=O 293323566 CLWGOPCPGVAAHU-UHFFFAOYSA-N 269.305 -0.835 50 20 CBGD C[C@@H]1CC(=O)N[C@H](C(=O)NNC(=O)[C@@H]2CCCO2)C1 294222069 YUGBWSFQJYJUGU-CIUDSAMLSA-N 269.301 -0.773 50 20 CBGD N#C/C(=C/c1ccc(F)cc1)C(=O)NCC(=O)NCCO 490876568 KIDMXMWDLKASDP-XFFZJAGNSA-N 291.282 -0.043 50 20 CBGD COC(=O)NNS(=O)(=O)C[C@H]1CCCCO1 491968808 PITYNAVOWKAIHV-SSDOTTSWSA-N 252.292 -0.254 50 20 CBGD CN(C)CC(C)(C)CNC(=O)c1cc(B(O)O)ccc1F 584926049 YCQRKPVGRLJFDC-UHFFFAOYSA-N 296.151 -0.177 50 20 CBGD CS[C@@H]1CC[C@H]1NC(=O)c1cccc(B(O)O)c1 584960306 QCTKLIMCAZANJX-GHMZBOCLSA-N 265.143 -0.010 50 20 CBGD CN1CC2(CCN(C(=O)c3cccc(B(O)O)c3)C2)C1 584982508 LGUKWFXMBVRPHS-UHFFFAOYSA-N 274.129 -0.856 50 20 CBGD O=C(NC[C@H](O)C1CCC1)c1ccc(B(O)O)cc1 584999286 JZCSFLCUGVCLKZ-LBPRGKRZSA-N 263.102 -0.743 50 20 CBGD COCCN(CCNCc1ccccc1B(O)O)C1CC1 585020434 XGRLZKYHPJQUNW-UHFFFAOYSA-N 292.188 -0.433 50 20 CBGD C[C@](O)(CNCc1cccc(B(O)O)c1)c1ccco1 585025788 CSFPTMOCTLPEAN-AWEZNQCLSA-N 275.113 -0.043 50 20 CBGD CCC(=O)N1CC[C@H](NCc2ccc(B(O)O)cc2)C1 585031745 YBEVRKBNIYDVKB-ZDUSSCGKSA-N 276.145 -0.533 50 20 CBGD C[C@H]1COCC[C@H]1CNCc1ccc(B(O)O)o1 585040520 MFPUPUAELAQDEC-UWVGGRQHSA-N 253.107 -0.278 50 20 CBGD CO[C@H]1COCC[C@H]1CNCc1ccccc1B(O)O 585043634 PSWDICZUMPLZRY-JSGCOSHPSA-N 279.145 -0.493 50 20 CBGD CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NCB(O)O 585054653 PBXFRVLSYCUGJQ-CYBMUJFWSA-N 292.144 -0.502 50 20 CBGD O=C(NCB(O)O)c1ccc(Br)c(O)c1 585073047 HSTOFZMGPJKYLJ-UHFFFAOYSA-N 273.879 -0.104 50 20 CBGD CC[C@H](OC)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 728160867 AOMDZKBRZMDODG-UWVGGRQHSA-N 278.374 -0.096 50 20 CBGD COc1ccnc(NNC(=O)[C@H]2C[C@@H]2C(=O)O)n1 738142687 DXUBRIUMJFAPRE-WDSKDSINSA-N 252.230 -0.351 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)c2ccncc2)o1 747372946 HYSWYMIPUYVBHP-UHFFFAOYSA-N 274.236 -0.152 50 20 CBGD C[C@@H](C#N)C(=O)NNC(=O)CNC(=O)c1cccnc1 764343679 XWXIRRPQTUCLSF-QMMMGPOBSA-N 275.268 -0.882 50 20 CBGD CNC(=O)[C@H]1CCC[C@H]1NC(=O)NNC(=O)C(C)C 765785630 ZGMHGWGFVSNFHJ-DTWKUNHWSA-N 270.333 -0.113 50 20 CBGD Cc1cnn(CC(=O)NNC(=O)c2cc(C)[nH]n2)c1 768279067 YFXYAIOQDSXWBX-UHFFFAOYSA-N 262.273 -0.316 50 20 CBGD CCNC(=O)N(C)NC(=O)c1c(C)nc(N)nc1C 768410523 NNOIRMUQWQGAQK-UHFFFAOYSA-N 266.305 -0.018 50 20 CBGD N#Cc1cccc(C(=O)NN=Cc2cn(CC(=O)O)nn2)c1 768484898 LSTLHTJEHGGKTO-UHFFFAOYSA-N 298.262 -0.002 50 20 CBGD C[C@H]1Sc2ccc(C(=O)NNC(=O)CO)cc2NC1=O 777782039 VGHUNERWPSDBDV-ZCFIWIBFSA-N 295.320 -0.127 50 20 CBGD COC(=O)CNC(=O)NN=C1C(=O)Nc2ccccc21 779824056 YWNOABVLNQCGRG-UHFFFAOYSA-N 276.252 -0.185 50 20 CBGD O=C(CCc1ccccc1O)NNC(=O)c1nc[nH]n1 781429306 ZVLGINNRDVFPLI-UHFFFAOYSA-N 275.268 -0.096 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)N=c2cc[nH]cc2)CCC1 802030010 YPFPIAUVDFQCQC-UHFFFAOYSA-N 291.311 -0.428 50 20 CBGD CCOCC(=O)NNC(=O)N=c1ccnc2n(C)[nH]cc1-2 806485014 SUPHKWOZNUPFMW-UHFFFAOYSA-N 292.299 -0.469 50 20 CBGD C[C@@H](C(=O)NNC(=O)CO)n1ccc2ccccc2c1=O 807195306 BEMJHKHJSVKKTG-VIFPVBQESA-N 289.291 -0.298 50 20 CBGD CN1CCC(CC(=O)NNC(=O)C(C)(C)O)CC1 813530371 QSYOXWSNGYDFHM-UHFFFAOYSA-N 257.334 -0.363 50 20 CBGD O=C(Cc1cc(O)nc(S)n1)NN=C1COCCOC1 814783349 CQUNTRXWNCEOKC-UHFFFAOYSA-N 298.324 -0.468 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 818420242 YZXJQJKZYYWZOG-JTQLQIEISA-N 277.324 -0.052 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CCc2nccn2C1 823852778 PGVRRGCPGMDFPH-JTQLQIEISA-N 252.318 -0.209 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n[nH]1 839706065 RHDAILXRZZLBJY-IYSWYEEDSA-N 253.218 -0.856 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)nn1C 843645349 MSYNURMTRNJMRZ-BDAKNGLRSA-N 266.301 -0.085 50 20 CBGD COCCCNC(=S)N(C)NC(=O)Cc1ccn(C)n1 854283904 OLRDDAZOKIBALJ-UHFFFAOYSA-N 299.400 -0.163 50 20 CBGD CC(C)CCC(=O)NCC(=O)NNC(=O)c1cc[nH]n1 855358336 GXQCSBMQPCLSDN-UHFFFAOYSA-N 281.316 -0.277 50 20 CBGD O=C(C[C@@H]1CC(=O)N1)NNC(=O)c1cccc(F)n1 856428159 PPHLPRPEBDKKFL-LURJTMIESA-N 266.232 -0.740 50 20 CBGD C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)CO)C1 857862868 MKULOMHXFSHFRT-XPUUQOCRSA-N 252.274 -0.785 50 20 CBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNC(=O)NC2CCCCC2)O1 858130187 BLBGUYNFDTYSPV-VHSXEESVSA-N 298.343 -0.318 50 20 CBGD C[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)[C@H](C)[C@@H]1C 858702174 CSZRRLPDKVTRTP-KYXWUPHJSA-N 282.344 -0.018 50 20 CBGD N#CCc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862451251 KZVRVWDQQPGHHL-NSHDSACASA-N 286.291 -0.208 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC(C(F)F)C1 863876027 LUTWVMWMLBREPJ-UHFFFAOYSA-N 255.029 -0.297 50 20 CBGD O=C(NNC(=O)C1(O)CCCC1)C1CCOCC1 883061582 ZOQXFHUQYDBILK-UHFFFAOYSA-N 256.302 -0.135 50 20 CBGD C#CCCCC(=O)NNC(=O)CN(C)C(=O)C1CC1 887144190 DWYMZNSJDZPAJL-UHFFFAOYSA-N 265.313 -0.194 50 20 CBGD C[C@H](C(=O)NNC(=S)NC(C)(C)C)S(C)(=O)=O 899992023 JVEYCMVRDFOORO-ZCFIWIBFSA-N 281.403 -0.287 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 910159729 CBSYCQWVYYHDON-BDAKNGLRSA-N 295.405 -0.706 50 20 CBGD CCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 913155960 LDIVIZANYYEZJT-UHFFFAOYSA-N 260.257 -0.167 50 20 CBGD CC(C)CC(=O)NNC(=O)NCCC(=O)N(C)C 916624085 LVSCYGGYYCLSIE-UHFFFAOYSA-N 258.322 -0.159 50 20 CBGD CS(=O)(=O)CCCC(=O)NNC(=O)Cc1cccnc1 1116016342 WWTCYBFBOAOTEK-UHFFFAOYSA-N 299.352 -0.404 50 20 CBGD CCC(=O)N1CC[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)C1 1116282093 JXLJZPIBZSEYSI-SECBINFHSA-N 293.327 -0.030 50 20 CBGD COCCCNC(=O)NNC(=O)CCc1cncnc1 1117736275 HCPKQJIOJPFKRV-UHFFFAOYSA-N 281.316 -0.224 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2ccc(F)cc2)N1 1119118754 TVXKLYCNOGAKGK-JTQLQIEISA-N 294.286 -0.065 50 20 CBGD C[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 1318967940 GSAIRHSSKZCDOJ-IONNQARKSA-N 289.357 -0.450 50 20 CBGD CC(C)n1cnc(S(=O)(=O)NNC(=O)N(C)C)c1 1319675762 MYNNEVSPQGTJFZ-UHFFFAOYSA-N 275.334 -0.072 50 20 CBGD O=C(/C=C\c1ccco1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1321415215 OPMYQBHFARODMW-TYRPZCRBSA-N 298.320 -0.125 50 20 CBGD CS(=O)(=O)C1(C(=O)NNc2ncccn2)CC1 1326959961 HFDDRVIZWANKPU-UHFFFAOYSA-N 256.287 -0.503 50 20 CBGD CC1(CCNC(=O)NNC(=O)c2cn[nH]c2)OCCO1 1329175456 UEWMBZHPFLZLGC-UHFFFAOYSA-N 283.288 -0.493 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccn(COC)n1 1329334461 NRPUIUXIXVZBIO-UHFFFAOYSA-N 257.319 -0.432 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cncn1C 1330512724 HMPYVWFLXMVJMR-SCZZXKLOSA-N 281.316 -0.325 50 20 CBGD O=C(CCO)NN=C1C(=O)Nc2c(F)cccc21 1340125021 CLBVLJPXBSDTPB-UHFFFAOYSA-N 251.217 -0.020 50 20 CBGD O=C(c1ncc2n1CCCC2)N1CC[C@@H](B(O)O)C1 1348489824 DOJXNBKOSCBMGV-SECBINFHSA-N 263.106 -0.092 50 20 CBGD O=C([C@H]1CCc2nccn2C1)N1CC[C@@H](B(O)O)C1 1348489888 GTCOUBADSSXSAZ-VHSXEESVSA-N 263.106 -0.479 50 20 CBGD O=C(N[C@]12CCC[C@H]1NCC2)c1cccc(B(O)O)c1 1580757311 SIRPUKUMNUCYTO-OCCSQVGLSA-N 274.129 -0.619 50 20 CBGD C[C@H](Oc1ccc(NC(=O)C(=O)NN)cc1F)C(=O)O 1593624051 FMDFIQLRAYOPJG-YFKPBYRVSA-N 285.231 -0.394 50 20 CBGD CCCN(CC)C[C@@H](C)NC(=O)NNC(=O)C(=O)O 1595867442 PMPQACYSJNBLHC-MRVPVSSYSA-N 274.321 -0.478 50 20 CBGD Cn1cc(C(=O)O)c(NC(=O)NNC(=O)[C@H]2CCCO2)n1 1600936430 OZQIJJKMKWLIAG-SSDOTTSWSA-N 297.271 -0.550 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1cnc2c(c1)nnn2C 182681835 BPJCVLIFHDGUEX-UHFFFAOYSA-N 299.294 -0.223 50 20 CBGD O=C(NNC(=O)[C@@]1(O)CCSC1)c1ccncc1 270804993 OLNYRRBETJMIGO-LLVKDONJSA-N 267.310 -0.289 50 20 CBGD CNC(=O)c1cccc(NC(=O)NNC(=O)CN(C)C)c1 274830044 RXGCTZHNZKOMTJ-UHFFFAOYSA-N 293.327 -0.240 50 20 CBGD CC(=O)NCC(=O)NNC(=O)c1cccc(C)n1 279857172 UQYQWRLXJJBLTB-UHFFFAOYSA-N 250.258 -0.713 50 20 CBGD CC(C)n1cnc(C(=O)NNC(=O)C(C)(C)O)c1 282250789 ILPGWYWTGDEANF-UHFFFAOYSA-N 254.290 -0.004 50 20 CBGD CC(=O)NNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 299215844 IPVIUTVRSJFSPT-ZCFIWIBFSA-N 267.207 -0.436 50 20 CBGD CCOCCCC(=O)NNC(=O)C(=O)N1CCCC1 299466376 DXOIKJRICKYELM-UHFFFAOYSA-N 271.317 -0.427 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@]23CCOC3)n[nH]1 372053284 MILFRDAMYTUPFQ-UFBFGSQYSA-N 264.285 -0.094 50 20 CBGD OB(O)c1ccc(OCc2ncnn2CC(F)F)cc1 584909732 GZVQGEOWLFPCPH-UHFFFAOYSA-N 283.043 -0.198 50 20 CBGD CC[C@@H](CO)NC(=O)c1ccc(B(O)O)c(F)c1 584931342 QZJASPHWSOLALN-QMMMGPOBSA-N 255.054 -0.994 50 20 CBGD C[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)CCCO1 584938665 CXQRCLRRFVOSCE-SNVBAGLBSA-N 263.102 -0.383 50 20 CBGD CC(C)[C@](C)(O)CNC(=O)c1cc(B(O)O)ccc1F 584954729 NYSDPDRWALDRAG-CYBMUJFWSA-N 283.108 -0.358 50 20 CBGD C=CCO[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584973078 LGMMMRKENXYGOV-LLVKDONJSA-N 293.103 -0.077 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H](CO)CC1 584995511 WDVNIHUTDFQPAT-LLVKDONJSA-N 277.129 -0.399 50 20 CBGD OB(O)c1ccccc1CNCCCOC[C@H]1CCOC1 585025166 NEAXDINSKDHFEX-CYBMUJFWSA-N 293.172 -0.101 50 20 CBGD CC[C@H](C)[C@@H](CO)NCc1ccccc1B(O)O 585025443 UOZFYCKLISOYFB-GXFFZTMASA-N 251.135 -0.137 50 20 CBGD O=C1CC[C@@H](NCc2ccc(B(O)O)o2)[C@@H](C2CC2)N1 585041718 GCGNEBKVWRJQRH-ZWNOBZJWSA-N 278.117 -0.894 50 20 CBGD CC(C)(CO)CCNCc1ccccc1B(O)O 585043847 UAXJCTKNXBYBNF-UHFFFAOYSA-N 251.135 -0.135 50 20 CBGD NC(=O)[C@H]1CC[C@H](CNCc2cccc(B(O)O)c2)CC1 585048951 YSBAPENVOWGBDO-AULYBMBSSA-N 290.172 -0.252 50 20 CBGD CCOCCCNC(=O)NNC(=O)[C@@H]1CCOC1 742846017 FIESKLFMQJNWLZ-SECBINFHSA-N 259.306 -0.220 50 20 CBGD CCCCNC(=S)NNC(=O)C(=O)NC1CC1 747756468 GJTGJGCANMHLDQ-UHFFFAOYSA-N 258.347 -0.440 50 20 CBGD N#Cc1cnc(C(=O)NNC(=O)CO)c(Cl)c1 753438234 CHPMWSFGFVSCLG-UHFFFAOYSA-N 254.633 -0.640 50 20 CBGD O=C(CO)NNC(=O)Nc1cccc([N+](=O)[O-])c1 755335079 BOFGACARAFUJBE-UHFFFAOYSA-N 254.202 -0.260 50 20 CBGD COC(=O)c1ccc(NC(=O)C(=O)NNC(C)=O)cc1C 763515888 DKNURLNPOGTICD-UHFFFAOYSA-N 293.279 -0.113 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cnn(-c2cccnc2)c1 768241280 KSYNXNVQWKQFOY-UHFFFAOYSA-N 289.295 -0.201 50 20 CBGD Cn1nc(C(=O)NNC(=O)C(C)(C)O)cc1C1CC1 768255753 PBNXCOHDWWEKRX-UHFFFAOYSA-N 266.301 -0.171 50 20 CBGD Cn1cc([C@@H](O)C(=O)NNC(=O)c2ccccc2)cn1 773690404 NBQHHUFKYRVXEH-LLVKDONJSA-N 274.280 -0.085 50 20 CBGD COC[C@@](C)(O)C(=O)NNc1cc(Cl)nc(N)n1 773860646 HQCPVLRVARKWHU-SECBINFHSA-N 275.696 -0.447 50 20 CBGD Cc1nn2c(=O)c3ccccc3[nH]c2c1C=NNC(=O)CO 776780561 KZISNIMDMUYEBD-UHFFFAOYSA-N 299.290 -0.073 50 20 CBGD COC[C@H](CNC(=O)NNC(=O)C1CCC1)OC 781388315 WRBHEKVYLVJERE-VIFPVBQESA-N 259.306 -0.222 50 20 CBGD Cc1cccc(C(=O)NNC(=O)c2nccnc2N)n1 794085988 OWMTWVRHARMXTA-UHFFFAOYSA-N 272.268 -0.163 50 20 CBGD CO[C@H](C)c1nsc(NC(=O)NNC(=O)CO)n1 809925507 MFLQYYGLKUHGCF-SCSAIBSYSA-N 275.290 -0.610 50 20 CBGD C[C@](C#N)(CC(=O)O)C(=O)NNC(=O)Cc1ccncc1 819848857 VARPXNMFLWYMDH-CYBMUJFWSA-N 290.279 -0.224 50 20 CBGD CCN(CCO)NC(=O)CCn1c(C)cc(O)cc1=O 823865186 MFHGPTJBLRAWKY-UHFFFAOYSA-N 283.328 -0.402 50 20 CBGD CCN(CCO)NC(=O)[C@@](C)(O)Cn1c(C)cccc1=O 823878933 AMCYPPKVQNJSBD-AWEZNQCLSA-N 297.355 -0.747 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@]12CCC(=O)N1CCS2 823976750 IRSIOZZUGGNYPO-LDYMZIIASA-N 273.358 -0.604 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@H](CC(N)=O)C1 827267998 LFMHATYNSRBOIV-IVZWLZJFSA-N 298.343 -0.651 50 20 CBGD COC(=O)[C@H]1C[C@@H](O)CN(S(=O)(=O)CCl)C1 828382751 WGEICERWEIYJDW-NKWVEPMBSA-N 271.722 -0.632 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cnc3n2CCC3)n[nH]1 831424598 ONBZJWQSCAEACA-UHFFFAOYSA-N 274.284 -0.064 50 20 CBGD CCCCNC(=O)NN=Cc1cn(CC(=O)OC)nn1 834945451 PXCKGQJKGVNZEU-UHFFFAOYSA-N 282.304 -0.116 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](N)[C@@H](CC)C1 843377688 SLJBFAKYCJEKTI-GARJFASQSA-N 270.377 -0.009 50 20 CBGD Cc1nc(SCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n[nH]1 843977066 FLDUNNWIKZKBJC-POYBYMJQSA-N 299.356 -0.222 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCN1CCCC1=O 845482965 KFGROUQJSLEVDI-UWVGGRQHSA-N 298.343 -0.636 50 20 CBGD O=S(=O)(CCl)N(CCO)C1CCOCC1 849387366 HEPAQBFJCNTCBV-UHFFFAOYSA-N 257.739 -0.014 50 20 CBGD CC(=O)NNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21 854155907 YQRMUOCYTKSAND-IVZWLZJFSA-N 253.302 -0.151 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N2)cc1 854211043 CXEUZYIMSHTWFV-JTQLQIEISA-N 277.280 -0.590 50 20 CBGD COCCNS(=O)(=O)c1cccc(NC(=O)NN)c1 859765056 BWNCGNRRLNQRPQ-UHFFFAOYSA-N 288.329 -0.394 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cccc(O)c2)N1 862449398 OMIQKVWTERZZAJ-SECBINFHSA-N 263.253 -0.568 50 20 CBGD CCc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccc1O 862460180 CQWGSVNZNONUBA-JTQLQIEISA-N 291.307 -0.006 50 20 CBGD COCCOCC(=O)NN=C(C)c1cnccn1 872402780 JXGBZZVCIRTGFI-UHFFFAOYSA-N 252.274 -0.020 50 20 CBGD CC(C)N1CCC[C@H]1C(=O)NNC(=O)C(=O)NC1CC1 929447959 BOKIQFFGIDLGOT-JTQLQIEISA-N 282.344 -0.715 50 20 CBGD CC(C)=CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1115818704 REHDGCMIKAIXFS-QMMMGPOBSA-N 260.315 -0.465 50 20 CBGD CC(=O)NCC(=O)NNc1nc(-c2ccncc2)no1 1115978414 VVOSFPRYQUFFJV-UHFFFAOYSA-N 276.256 -0.289 50 20 CBGD Cn1cnc(C(=O)NNc2ccc(S(C)(=O)=O)cc2)n1 1117641122 KVEXAYNLRFLEEN-UHFFFAOYSA-N 295.324 -0.025 50 20 CBGD COCCCCC(=O)NNC(=O)CN1CCCC1=O 1119663863 XGLUYAUWBKPTNN-UHFFFAOYSA-N 271.317 -0.427 50 20 CBGD CC(C)n1ccc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 1120273221 NVXWDGKWZRLBIX-JTQLQIEISA-N 293.327 -0.568 50 20 CBGD CN1CCCC[C@@H]1CNC(=O)NNC(=O)c1ncccn1 1122032678 FJETXYVFXCTUCL-SNVBAGLBSA-N 292.343 -0.095 50 20 CBGD O=C(NNC(=O)C1CC1)C(=O)Nc1cc2n(n1)CCCC2 1260073328 LOZOTJNLGDLKMF-UHFFFAOYSA-N 291.311 -0.285 50 20 CBGD COCC1(CNC(=O)NNC(=O)C(=O)OC)CCCC1 1261296676 GRSAIQDQOCFGPH-UHFFFAOYSA-N 287.316 -0.303 50 20 CBGD COCCOCCNC(=O)NNC(=O)c1ccc[nH]1 1317972812 NNYGFCDZQPLDDN-UHFFFAOYSA-N 270.289 -0.378 50 20 CBGD Cn1cc(CCC(=O)NNc2nccn(C)c2=O)cn1 1318911308 YYMPPJMGGHIGAD-UHFFFAOYSA-N 276.300 -0.410 50 20 CBGD O=C(CC[C@@H]1NC(=O)NC1=O)NN=c1cc[nH]cc1Cl 1320288724 XUANAJNMUPSSPL-QMMMGPOBSA-N 297.702 -0.412 50 20 CBGD C[C@H](NC(=O)NNc1ncccn1)c1ncnn1C 1320793174 OZXDGEYVMWSADW-ZETCQYMHSA-N 262.277 -0.008 50 20 CBGD C[C@@H](C(=O)NNc1nccn(C)c1=O)c1cnn(C)c1 1322348234 AWJVZVJJRBJNIO-MRVPVSSYSA-N 276.300 -0.239 50 20 CBGD Cn1nncc1NC(=O)C(=O)NNc1ccccc1 1323942943 WITMTIHIWGGKAC-UHFFFAOYSA-N 260.257 -0.103 50 20 CBGD CNC(=O)c1ccc(C(=O)NNC(=O)OC)cn1 1323972152 UUSMGCOOQGFVPR-UHFFFAOYSA-N 252.230 -0.558 50 20 CBGD O=C(Cn1cncn1)NNc1ccc(-n2ccnc2)nn1 1326495313 WAOOMBIFQARZDN-UHFFFAOYSA-N 285.271 -0.603 50 20 CBGD CN1C2(CCC2)COC[C@]1(CO)CNC(=O)CCl 1329304554 TZNSWSYBXHTNNZ-GFCCVEGCSA-N 276.764 -0.043 50 20 CBGD CN1CCC(CNC(=S)NNC(=O)c2cn[nH]c2)CC1 1330149930 NEBOFWZGSBCQLL-UHFFFAOYSA-N 296.400 -0.140 50 20 CBGD Cc1nnc2n1C[C@@H](C(=O)NNC(=O)NC1CC1)CC2 1340966645 HYWHAPHEFRNSLB-QMMMGPOBSA-N 278.316 -0.358 50 20 CBGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@H]1C[C@H]1F 1348864834 YOXDGOXITIWVBW-NKWVEPMBSA-N 285.300 -0.017 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H]1CN2CCN1C[C@@H]2C 1349475342 XXSXRVIJUYRTNH-RYUDHWBXSA-N 278.356 -0.674 50 20 CBGD CN1CCC[C@H](NC(=O)NNC(=O)c2ncccn2)C1=O 1352361284 VWSRZQWWCBTHGO-QMMMGPOBSA-N 292.299 -0.959 50 20 CBGD CCOC(=O)[C@@H](N)C(=O)NN=c1cc[nH]c2cccnc12 1577922359 YMSMTWQPMKAOCC-JTQLQIEISA-N 289.295 -0.615 50 20 CBGD COc1ccccc1NNC(=O)[C@H]1CN(C)C(=O)CN1 1579309789 NMJLFBWPHDLNOF-SNVBAGLBSA-N 278.312 -0.432 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1 1594645254 QQCZLHHDPSNEOX-DOLQZWNJSA-N 299.327 -0.005 50 20 CBGD O=C(NCC1CC1)NNC(=O)C1(C(=O)O)CCC1 1594745296 CDTMPCJRUIKMHN-UHFFFAOYSA-N 255.274 -0.018 50 20 CBGD Cn1ncc(C2CC2)c1CNC(=O)NNC(=O)C(=O)O 1601026664 LCIJPELGKKIHRH-UHFFFAOYSA-N 281.272 -0.788 50 20 CBGD CN(C)C(=O)NNC(=O)CCCn1ccc(C(=O)O)n1 1606002091 PWWMRQHZGPOMPJ-UHFFFAOYSA-N 283.288 -0.336 50 20 CBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)c1c[nH]nc1C 1609886750 TWDRVFOLIDJPFI-ZCFIWIBFSA-N 254.246 -0.410 50 20 CBGD C[C@H](CC(=O)NNC(=O)CN(C)C)NC(=O)C1CCCC1 113426969 SBAVQUHLGUXBPY-SNVBAGLBSA-N 298.387 -0.220 50 20 CBGD O=C(CO)NNC(=O)c1cc2ccccc2oc1=O 180964286 PQVFUMCXESLOME-UHFFFAOYSA-N 262.221 -0.454 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)CO)c(C)c1 182753049 SGJBLPPNKBLTPS-UHFFFAOYSA-N 252.270 -0.178 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@H]1CCCCC(=O)N1 193707640 KOBLWELEYAGIHD-SECBINFHSA-N 278.312 -0.155 50 20 CBGD CC(C)c1[nH]nc(C(=O)NNC(=O)CN(C)C)c1[N+](=O)[O-] 269573172 IQJKOGNDRHNDLJ-UHFFFAOYSA-N 298.303 -0.236 50 20 CBGD CNC(=O)NCCC(=O)NNC(=O)c1cccc(C)n1 294130607 GWBZURICYGBNRE-UHFFFAOYSA-N 279.300 -0.530 50 20 CBGD COC(=O)c1ccc(CC(=O)NNC(=O)CN(C)C)cc1 295044117 JJIBGEMFBNDNMI-UHFFFAOYSA-N 293.323 -0.275 50 20 CBGD COC(=O)NNC(=O)c1ccc(OC)c(-n2cnnn2)c1 495483057 ZWMVIRFFZFNWCG-UHFFFAOYSA-N 292.255 -0.328 50 20 CBGD CC(C)C[C@H](CO)NC(=O)c1ccc(B(O)O)cc1 584966680 HXSJCKOAVIDCSJ-GFCCVEGCSA-N 265.118 -0.497 50 20 CBGD N#C[C@]1(F)CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584978866 FCNVNEXVAVSYGA-GFCCVEGCSA-N 280.039 -0.417 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2[C@@H]3COC[C@H]3[C@@H]2C1 585010745 YPGIBWFFFZNKIJ-CRWXNKLISA-N 287.124 -0.669 50 20 CBGD CC(C)(C)NC(=O)CCNCc1ccccc1B(O)O 585023236 FKLVTUNLYJHPAI-UHFFFAOYSA-N 278.161 -0.239 50 20 CBGD C[C@@]1(CO)CCC[C@@H]1NCc1ccc(B(O)O)o1 585027343 QUMJGYJIYOVZKY-JQWIXIFHSA-N 253.107 -0.400 50 20 CBGD OC[C@H](CNCc1ccccc1B(O)O)[C@H]1CCOC1 585039041 MSXNALWYCDSUCH-STQMWFEESA-N 279.145 -0.899 50 20 CBGD COc1cccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)c1 585056340 NFPQWYOSSUXKPR-SECBINFHSA-N 285.130 -0.067 50 20 CBGD O=C1CCc2ccc(S(=O)(=O)NCB(O)O)cc21 585056848 CNGFCNAOIZEUFN-UHFFFAOYSA-N 269.087 -0.894 50 20 CBGD CCOCC(=O)NNC(=O)NCc1cc(C)no1 731283939 JGHJJLBXHKDAGE-UHFFFAOYSA-N 256.262 -0.150 50 20 CBGD CC(C)[C@@H](C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 733092448 GQIMJZCUPITAGY-BDAKNGLRSA-N 276.358 -0.139 50 20 CBGD CCS(=O)(=O)CC(C)=NNC(=O)C(=O)NC1CC1 733744467 IWXXRUVLQAXGSM-UHFFFAOYSA-N 275.330 -0.808 50 20 CBGD O=C(NNC(=O)c1ccc[nH]1)c1ccc(-c2nn[nH]n2)cn1 738136932 QDRYNALALJKIEA-UHFFFAOYSA-N 298.266 -0.335 50 20 CBGD CN(C)c1nccc(NNC(=O)c2c[nH]c(C(N)=O)c2)n1 740112001 AJYHGLQCGOWIOT-UHFFFAOYSA-N 289.299 -0.274 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)CSCC#N 740852888 NUQKOIDMYGXHTC-UHFFFAOYSA-N 286.357 -0.305 50 20 CBGD C#CCCCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 745901726 PXMBJVSVTQTGTN-LLVKDONJSA-N 273.358 -0.219 50 20 CBGD CS(=O)(=O)CC(=O)NNc1ccc(C(F)(F)F)nn1 755181040 CUHZQXUAPWVJQO-UHFFFAOYSA-N 298.246 -0.017 50 20 CBGD COc1ccc(NC(=O)NNC(=O)CO)cc1OC 755374091 OZZJYFWSQQWQNX-UHFFFAOYSA-N 269.257 -0.151 50 20 CBGD CO[C@@H](C)C(C)=NNC(=O)[C@@H](C)NS(C)(=O)=O 763172388 LGTIEHMFXIHSDV-SFYZADRCSA-N 265.335 -0.549 50 20 CBGD COc1ccnc(NNC(=O)C(C)(C)C(N)=O)n1 767563881 FKODWJWKPOGQMS-UHFFFAOYSA-N 253.262 -0.560 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)[C@@H]1COCCO1 772155413 ZUWGWADXNWPFDV-BDAKNGLRSA-N 258.274 -0.882 50 20 CBGD CCNC(=O)N(C)NC(=O)CS(=O)(=O)C(C)(C)C 780706421 PZTQJVDAUJTWKK-UHFFFAOYSA-N 279.362 -0.108 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H](C)CS(C)(=O)=O 780710729 HDSFBAQPHUOUSE-SSDOTTSWSA-N 265.335 -0.640 50 20 CBGD CN1CC[C@H](NC(=O)NNc2ncncc2Cl)C1=O 780990682 FMBNDSPQTZMFTQ-ZETCQYMHSA-N 284.707 -0.013 50 20 CBGD COc1ccc(NNC(=O)C2(NC(N)=O)CC2)nc1 781517815 CZCXPFSIPNGBNW-UHFFFAOYSA-N 265.273 -0.266 50 20 CBGD C[C@H](C[S@](C)=O)NC(=O)NNc1cccnn1 784535131 GCQNDLBYAHCHLU-GJEGPGMTSA-N 257.319 -0.130 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)CCOC 788158619 LTGHVFCYFYVQRU-UHFFFAOYSA-N 262.306 -0.041 50 20 CBGD CO[C@H](C(=O)NNC(=O)c1ccccn1)c1cnn(C)c1 798820326 XZXHBPZPNYASHQ-NSHDSACASA-N 289.295 -0.036 50 20 CBGD CC(Cn1cccn1)=NNC(=O)C(=O)N1CCCC1 814824077 IERFMZBAFVOLAP-UHFFFAOYSA-N 263.301 -0.002 50 20 CBGD C[C@](C#N)(CC(=O)O)C(=O)NNc1ncnc2[nH]cnc12 819849168 XXFDTPWVBMWWIE-LLVKDONJSA-N 289.255 -0.199 50 20 CBGD O=C1CSC[C@@H](C(=O)NNc2ncncc2F)N1 820386718 SJZOOOXRCFLVGE-LURJTMIESA-N 271.277 -0.710 50 20 CBGD O=C(O)[C@@H]1CN(S(=O)(=O)CBr)CCO1 821512383 HMWTZFVTFIQATJ-YFKPBYRVSA-N 288.119 -0.546 50 20 CBGD CO[C@H](C)CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 821718240 KAGUXKSUTIJMSZ-PSASIEDQSA-N 279.362 -0.598 50 20 CBGD C[C@]1(C(=O)NNc2ncncc2F)CCNC1=O 823123914 BDXINRIILIULRA-JTQLQIEISA-N 253.237 -0.415 50 20 CBGD CCN(CCO)NC(=O)C(C)(C)NC(=O)C(F)(F)F 823879466 NCAXCRQMCPQUBZ-UHFFFAOYSA-N 285.266 -0.211 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)[C@@H]1CC(=O)N(C2CC2)C1 833255742 IAXHNKCDSPHVSD-MWLCHTKSSA-N 295.339 -0.286 50 20 CBGD C[C@H](NC(=O)O)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 833739620 LCIAGJSMIWHNTB-OIBJUYFYSA-N 293.279 -0.206 50 20 CBGD CCCN1C[C@H](C(=O)NNC(=O)NC(C)C)CC1=O 840294183 MOPCHHGUEKGJEA-SECBINFHSA-N 270.333 -0.016 50 20 CBGD CS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1[C@H]2CNC[C@H]21 843436821 JNKGDALHFUSHNQ-GDGBQDQQSA-N 295.364 -0.001 50 20 CBGD CC(C)[C@@H](CNC(=O)NNC(=O)c1cnn(C)c1)C(=O)O 848591700 USKGOFIDPSSEQR-SECBINFHSA-N 297.315 -0.279 50 20 CBGD C[C@@H](C(=O)NNC(=O)C1CC1)n1cnc2c(N)ncnc21 854180191 JCNZNFAKOOKHKY-LURJTMIESA-N 289.299 -0.473 50 20 CBGD N#CSCCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 854360043 FNCZMXULDYGHCV-LURJTMIESA-N 256.287 -0.695 50 20 CBGD CN1CCN(C(=O)NNC(=O)Cc2cscn2)CC1 854379244 SYDUARNJGOTTOL-UHFFFAOYSA-N 283.357 -0.326 50 20 CBGD Cn1nnc2c1C[C@@H](C(=O)NNC(=O)c1cc[nH]n1)CC2 855355781 HKYDASKPDYPZBR-ZETCQYMHSA-N 289.299 -0.896 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(N)=O)[nH]1 857294324 DENSWXZMBNAADS-NKWVEPMBSA-N 280.284 -0.700 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1noc2c1COCC2 857867662 IBLMJKXBSZPTBA-YUMQZZPRSA-N 295.295 -0.067 50 20 CBGD C[C@@H]1C[C@H]1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858140561 IKRZEVSYHUYREJ-CSMHCCOUSA-N 254.290 -0.749 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CCCN2C2CC2)N1 862458373 DRMQFYMGCXGCOC-ZJUUUORDSA-N 280.328 -0.961 50 20 CBGD COCCC(COC)=NNC(=O)CS(C)(=O)=O 863185972 JLYWQWKAJORRAF-UHFFFAOYSA-N 266.319 -0.814 50 20 CBGD CCN1CCN(C(=O)c2cccc(B(O)O)c2)C[C@H]1C 863878007 MKBJMYPDFAONTN-LLVKDONJSA-N 276.145 -0.467 50 20 CBGD C[C@H](C[C@@H]1CCOC1)NC(=O)c1cccc(B(O)O)c1 866585245 OTOMEHAXNKAAQJ-MNOVXSKESA-N 277.129 -0.089 50 20 CBGD C[C@@H](C(=O)NNc1ccnc(N(C)C)n1)N(C)C 878918393 MPFCKSCFYIEGCD-QMMMGPOBSA-N 252.322 -0.064 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@]1(O)CCSC1 887147124 YNZOBGVGLSJTSS-NSHDSACASA-N 256.327 -0.195 50 20 CBGD COc1cccc(NCC(=O)NNC(=O)C(OC)OC)c1 895556885 MCLZJWMBQVZCGI-UHFFFAOYSA-N 297.311 -0.127 50 20 CBGD CN1C(=O)CCC[C@@H]1C(=O)NNC(=O)NC1CC1 906416733 OAWUGPRZVFYOOR-MRVPVSSYSA-N 254.290 -0.510 50 20 CBGD CC(C)NC(=O)CN(C)CC(=O)NNc1ncccn1 914533074 LMRSHTSKNLMUQX-UHFFFAOYSA-N 280.332 -0.624 50 20 CBGD C[C@H](C(=O)NNC(=O)C1CCCC1)N1C(=O)CCC1=O 916049905 RQOWUWNCGBVUIF-MRVPVSSYSA-N 281.312 -0.139 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](C)C[C@@H]1CCOC1 1116268800 LCWSQIAUSDRXGL-SFYZADRCSA-N 273.289 -0.695 50 20 CBGD Cn1nncc1CNC(=O)NNc1ncncc1F 1117733023 CQORHIQUOXODOY-UHFFFAOYSA-N 266.240 -0.430 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCNC(=O)C1 1261497948 PMLXEVHXURNZDK-DJLDLDEBSA-N 269.301 -0.915 50 20 CBGD COC(=O)N1CCC(C(=O)N2CC[C@@H](B(O)O)C2)CC1 1261844304 KIDBXOSNMDTIFD-SNVBAGLBSA-N 284.121 -0.460 50 20 CBGD COc1ncccc1C(=O)NNC(=O)C(=O)NC(C)C 1317797558 BNAHEBHFSDXHJM-UHFFFAOYSA-N 280.284 -0.624 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccnc(C)n1 1318666233 RHWZOUFOSUUESV-UHFFFAOYSA-N 293.327 -0.149 50 20 CBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1CCCOCC1 1319965746 VYIJYQSVUMJGLK-JTQLQIEISA-N 298.343 -0.492 50 20 CBGD C[C@@H](NC(=O)c1ccoc1)C(=O)NNc1cnnn1C 1326341596 DCWGXWULIHEDPR-SSDOTTSWSA-N 278.272 -0.330 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NCC(=O)NCC#N 1326509384 NNUQHCQOLIBNAO-UHFFFAOYSA-N 255.278 -0.997 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc3nonc3c2)N1 1329274349 NMQMDAIECHYNLH-QMMMGPOBSA-N 289.251 -0.738 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@H]2CCC(=O)C2)nn1 1329563877 FHPAKILCFZABNG-LURJTMIESA-N 263.257 -0.612 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H]1CCc2nncn2C1 1330290872 FZCRXEJAQDANCT-MRVPVSSYSA-N 266.305 -0.419 50 20 CBGD CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)C(=O)NC(C)C 1338588975 KAJWXFBVGWJTPB-IUCAKERBSA-N 271.317 -0.527 50 20 CBGD COC(=O)N(C)NC(=O)CN1CCC(CO)CC1 1347070609 ZEFOLUYQICQLTA-UHFFFAOYSA-N 259.306 -0.580 50 20 CBGD Cc1ncccc1C=NNC(=O)CS(C)(=O)=O 1348410820 CYPAPFHFNMANME-UHFFFAOYSA-N 255.299 -0.115 50 20 CBGD O=C(NNC(=O)c1ccc[nH]1)c1coc(-c2nn[nH]n2)c1 1593158631 VPNPUAUDFKSASP-UHFFFAOYSA-N 287.239 -0.137 50 20 CBGD COc1ccnc(NNC(=O)COCC(=O)O)n1 1594150579 LLUGJJNYSBXMFS-UHFFFAOYSA-N 256.218 -0.971 50 20 CBGD COC(=O)c1ccc(NNC(=O)CC(=O)O)nc1 1598984753 ZEAAFHWXGAKBAV-UHFFFAOYSA-N 253.214 -0.214 50 20 CBGD CO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)C(=O)O 1599321724 AOVPJLNZMGHPSO-RNFRBKRXSA-N 259.262 -0.641 50 20 CBGD C[C@@H]1CC[C@H](C(=O)NNC(=O)NCCCC(=O)O)O1 1605004194 GHCQDOGSXURZCX-HTQZYQBOSA-N 273.289 -0.251 50 20 CBGD O=C(O)COCCNS(=O)(=O)CCCCl 1606279152 WEIWKACEOWPUDG-UHFFFAOYSA-N 259.711 -0.364 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCc2ccc(O)cc21 1608476976 DHNWVBQOWWBGCR-VIFPVBQESA-N 279.252 -0.206 50 20 CBGD O=C(O)CSCC(=O)NNC(=O)[C@H]1CCCCO1 1611496455 LDPHTNBPGHMSFA-SSDOTTSWSA-N 276.314 -0.479 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CCCCN1C(=O)C(C)C 48950866 MUECUVBTMSUQSW-SECBINFHSA-N 270.333 -0.016 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](CCC(N)=O)C1 109836772 MJADASZAHRHZJC-GHMZBOCLSA-N 298.387 -0.090 50 20 CBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)c2cccs2)nn1 125070465 MJVGOEYBVGYLTC-SSDOTTSWSA-N 295.324 -0.146 50 20 CBGD C[C@H]1C(=O)NCCN1CC(=O)NNC(=O)c1ccccc1 182205460 YQZKORMQCWFXSJ-JTQLQIEISA-N 290.323 -0.732 50 20 CBGD Cc1cc(C(=O)NNC(=O)Cc2ccn(C)n2)[nH]n1 184146831 FFPOAXXBJJQSBT-UHFFFAOYSA-N 262.273 -0.545 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 191791835 SKFKLFFQMVLUAC-JTQLQIEISA-N 264.281 -0.092 50 20 CBGD Cc1ccn(CC(=O)NNC(=O)N(C)C)c(=O)c1 194500120 LQQCFJZDUCJICQ-UHFFFAOYSA-N 252.274 -0.541 50 20 CBGD NNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 270245779 SPPQVJRQFMSFEG-ZDUSSCGKSA-N 274.280 -0.630 50 20 CBGD CNC(=O)NCCC(=O)NNc1ccc(C(=O)OC)cn1 293242851 ASJZVGCHICTJMG-UHFFFAOYSA-N 295.299 -0.370 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@H]1CC(=O)N(C)C1=O 490970265 GPZAVGAZKJNOGL-CZEYKFRCSA-N 251.242 -0.696 50 20 CBGD CCOC(=O)NNC(=O)c1cccn2c(O)nnc12 494367288 YSDQOSVIXFPFDS-UHFFFAOYSA-N 265.229 -0.174 50 20 CBGD CCC[C@H](C#N)NC(=O)c1cc(B(O)O)ccc1F 584937496 VAFZPSGMRXOOSR-SECBINFHSA-N 264.065 -0.072 50 20 CBGD CCN(C)C[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584954235 KDWNXEMVNAELPU-LBPRGKRZSA-N 290.172 -0.220 50 20 CBGD C[C@@H]1[C@H](CNCc2ccc(B(O)O)cc2)N(C)CCN1C 585043292 LUCFJHUJVKOKSZ-DOMZBBRYSA-N 291.204 -0.910 50 20 CBGD Cn1nnc2c1CC[C@H](NCc1cccc(B(O)O)c1)C2 585046217 TZPUSJLATMOOSA-LBPRGKRZSA-N 286.144 -0.858 50 20 CBGD CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCB(O)O 585054866 SGFUVBGSEVWIRE-NSHDSACASA-N 296.107 -0.292 50 20 CBGD O=C(NCCCN1C(=O)CCC1=O)NNc1cccnn1 736386392 FLVUIZUDFZFANJ-UHFFFAOYSA-N 292.299 -0.358 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCN2CCC[C@H]12 765575079 GGTCTWNCAXVKAJ-WCBMZHEXSA-N 288.373 -0.736 50 20 CBGD COC[C@](C)(O)C(=O)NN=c1cc[nH]cc1Cl 768445318 ZDCSYGYZCDXOJQ-JTQLQIEISA-N 259.693 -0.003 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCn2ncnc2C1 770704063 WNALHRHNISVJGX-SNVBAGLBSA-N 294.359 -0.324 50 20 CBGD CC(=O)NNC(=O)c1cnn(CC(=O)NC2CCCC2)c1 772368117 UAIYMTPXHAEIKQ-UHFFFAOYSA-N 293.327 -0.277 50 20 CBGD NC(=O)N[C@H](CO)C(=O)NNc1ccc2ccccc2n1 777463199 IQNJYSULPUJXCY-SNVBAGLBSA-N 289.295 -0.293 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)[C@@H]2CCNC(=O)C2)n1 779373730 YJCHTQNGGDMTDY-RXMQYKEDSA-N 284.707 -0.319 50 20 CBGD COC(=O)CNC(=O)NN=C1CN(C2CC2)C[C@@H]1C 779818589 SGVZLRCIFJJQNR-QMMMGPOBSA-N 268.317 -0.071 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C[C@H]1CCSC1 782222013 QTUGVKZSRGYPHR-HTQZYQBOSA-N 279.387 -0.221 50 20 CBGD O=C(CCN1CCOCC1)NNc1nc2ccccn2n1 791242318 FAYJFHKRXNNOKK-UHFFFAOYSA-N 290.327 -0.105 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)CCn1cnccc1=O 794212374 QJKQDRQXEZGANK-UHFFFAOYSA-N 297.384 -0.073 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN(CCO)CC(F)F 796470011 ZOQFGUVVMPHHCW-UHFFFAOYSA-N 281.303 -0.261 50 20 CBGD CC[C@@H](C)N(CC(=O)NNC(=O)C1CC1)CC(=O)OC 799170612 ZYTQMENWTIYZCO-SECBINFHSA-N 285.344 -0.183 50 20 CBGD COC(=O)C12CC(C(=O)NN(C)[C@@H](C)CO)(C1)C2 823912591 INGFVMIYOUAVBA-RKWZHAFESA-N 256.302 -0.327 50 20 CBGD CC(=O)NCC(=O)NNc1ccc(C(=O)O)cn1 833396115 FNXJUZDPJYEXOC-UHFFFAOYSA-N 252.230 -0.641 50 20 CBGD C#CCO[C@H](C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843660647 LVIKTXSKGLZYLS-AEJSXWLSSA-N 254.286 -0.403 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H](O)C(C)(C)C 843977070 FMJMSSPOOZBFRZ-DJLDLDEBSA-N 258.318 -0.034 50 20 CBGD COCCOC(=O)/C(C#N)=C\c1cn(C)c(=O)n(C)c1=O 844152057 CGSXGGXSUUKNIM-TWGQIWQCSA-N 293.279 -0.819 50 20 CBGD O=C1CC[C@@H](C(=O)NN=Cc2ccc(F)nc2)N1 863153164 OGFUBFYTEFDINE-QMMMGPOBSA-N 250.233 -0.051 50 20 CBGD COC(=O)[C@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)C1 863885444 IZQAUOMQBZINKA-HOMQSWHASA-N 277.085 -0.952 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@H]1CCCNC1=O 865016157 XVIOKUDVZIVCQC-QMMMGPOBSA-N 254.290 -0.747 50 20 CBGD COCCOCC(=O)NNC(=S)NC1(C)CC1 865244208 HDSPRONSJVGRJN-UHFFFAOYSA-N 261.347 -0.303 50 20 CBGD CN(NC(=O)C(F)C(=O)NN(C)C1CC1)C1CC1 868962442 ZUQVHCZZSHMKKI-UHFFFAOYSA-N 258.297 -0.425 50 20 CBGD C#CCCCC(=O)NNC(=O)C1(S(C)(=O)=O)CCC1 887148349 YHYHYCSGGNEUSQ-UHFFFAOYSA-N 286.353 -0.095 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)C(N)=O)cc1 917359571 HAHRTIBSLUDZQM-UHFFFAOYSA-N 251.242 -0.993 50 20 CBGD COC(=O)NNS(=O)(=O)c1cnn([C@H]2CCOC2)c1 1116355621 GHOOXQALMOSHOL-ZETCQYMHSA-N 290.301 -0.606 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)[C@](C)(OC)C1CC1 1117946586 ZDNWHPBRGALGMF-MADCSZMMSA-N 287.316 -0.307 50 20 CBGD O=C(COC[C@H]1CCCO1)N1CC[C@H](B(O)O)C1 1118915752 JHVXQCZTSJNYND-VHSXEESVSA-N 257.095 -0.743 50 20 CBGD CC(C)NC(=S)NNC(=O)C1(C(=O)NC2CC2)CC1 1318147517 KGADQPUJCBFUOF-UHFFFAOYSA-N 284.385 -0.051 50 20 CBGD Cc1cc(NNC(=O)CN2CCC(=O)NC2=O)nc(C)n1 1318661405 MOICQCMNJBKTAC-UHFFFAOYSA-N 292.299 -0.522 50 20 CBGD CC(C)C(=O)NNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 1319283696 IPMVOVCSXYJWFY-HTQZYQBOSA-N 272.305 -0.994 50 20 CBGD NC(=O)c1c[nH]c(C(=O)NNc2ncc(F)cn2)c1 1319668267 JWIJFYRKPXFWFR-UHFFFAOYSA-N 264.220 -0.200 50 20 CBGD O=C(NNC(=O)c1cc(C2CC2)on1)C(=O)N1CCCC1 1320929897 HRTWLUGOTRGKSV-UHFFFAOYSA-N 292.295 -0.065 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc[n+]([O-])c1 1326428540 ZJSDSZPGUFAWDH-SCZZXKLOSA-N 265.269 -0.494 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cccnn1 1329252216 GITLGHWOKRGRON-PSASIEDQSA-N 279.300 -0.268 50 20 CBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1csnn1 1329555749 BTHDHGWJIWMNFO-LURJTMIESA-N 253.287 -0.343 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cncn1C 1330512725 HMPYVWFLXMVJMR-WCBMZHEXSA-N 281.316 -0.325 50 20 CBGD CN(C)CCn1cc(C(=O)NNc2ccncn2)cn1 1332143489 MYOJXQRRGLCTLZ-UHFFFAOYSA-N 275.316 -0.008 50 20 CBGD CCNC(=O)CCC(=O)NNC(=O)C1CCOCC1 1332798894 WXOPKSMKBSMTRA-UHFFFAOYSA-N 271.317 -0.523 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1cnn(C(C)C)c1 1336385825 FTCBMWLFUXYFNX-UHFFFAOYSA-N 297.315 -0.414 50 20 CBGD NC(=O)c1ccc(NNC(=O)COC(F)F)nn1 1342444010 AGAAWAXOXUJNMV-UHFFFAOYSA-N 261.188 -0.742 50 20 CBGD CCc1c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cnn1C 1348388739 QEJXZPPGZAPASZ-MRVPVSSYSA-N 279.300 -0.978 50 20 CBGD O=C(NNC(=O)[C@H]1CCN1)[C@H]1CCc2c[nH]nc2C1 1580733294 RBHCIVCNCIPTJQ-IONNQARKSA-N 263.301 -0.976 50 20 CBGD CC(C)(CC(=O)O)NC(=O)c1cccc(B(O)O)c1 1590642679 QNEZIHKBOMIWHK-UHFFFAOYSA-N 265.074 -0.651 50 20 CBGD O=C(NNC(=O)[C@]1(C(=O)O)CC=CCC1)N1CCOCC1 1594779840 YBEWVXBSHJSKDN-ZDUSSCGKSA-N 297.311 -0.130 50 20 CBGD CCCN(C(=O)c1cc(B(O)O)ccc1F)[C@H](C)C(=O)O 1595824819 WPQFNODTIXGHRA-MRVPVSSYSA-N 297.091 -0.169 50 20 CBGD O=C1CC[C@H](C(=O)NN[C@@H](C(=O)O)c2ccc(F)cc2)N1 1602637930 IOGCQWSOFYAROK-MWLCHTKSSA-N 295.270 -0.149 50 20 CBGD C[C@@H](NNC(=O)Cn1cc(C(=O)O)nn1)C(F)(F)F 1604350611 WUSMQVPVKYDVPU-SCSAIBSYSA-N 281.194 -0.452 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cnc(C(=O)O)cn2)n[nH]1 1605120445 HQLVPMVDJDYTKN-UHFFFAOYSA-N 290.239 -0.719 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)c2ccc[nH]2)O[C@H]1C(=O)O 1607442439 AISOFUXNAUNVKD-FTLITQJKSA-N 281.268 -0.346 50 20 CBGD O=C(O)[C@@H]1CCC[C@H](C(=O)N2CC[C@@H](B(O)O)C2)C1 1608620469 MCLGTSGAXRKQDO-IVZWLZJFSA-N 269.106 -0.047 50 20 CBGD CC(C)C[C@@H](CCO)CNC(=O)NNC(=O)C(=O)O 1609692049 BJAJMSQEHNOXTD-MRVPVSSYSA-N 275.305 -0.554 50 20 CBGD CN1CCN(CC(=O)NNC(=O)c2cccs2)CC1=O 119327234 PBKKDPBWMVBAHX-UHFFFAOYSA-N 296.352 -0.717 50 20 CBGD O=C(NNS(=O)(=O)N1CCOCC1)c1ccccc1 264994368 KWTHUHDMJZLXDW-UHFFFAOYSA-N 285.325 -0.502 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CN2CSCC2=O)o1 267800576 XJLXSSHYCGELLB-UHFFFAOYSA-N 283.309 -0.118 50 20 CBGD CCOC(=O)N1CCC[C@@H](C(=O)NN(C)C(N)=O)C1 271292884 MJHUWALEZDOQDL-MRVPVSSYSA-N 272.305 -0.103 50 20 CBGD COC(=O)N(C)NC(=O)c1ccc(OCC(N)=O)cc1 286444739 RZGYLONFRPRYTQ-UHFFFAOYSA-N 281.268 -0.106 50 20 CBGD CC1=C(C(=O)NNC(=O)CC2CC2)S(=O)(=O)CCO1 294145809 LZSGHFRYMOBVOL-UHFFFAOYSA-N 288.325 -0.390 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCO1)c1cnc2[nH]c(=O)[nH]c2c1 294534745 GBMRKIKKLYIQOG-QMMMGPOBSA-N 291.267 -0.809 50 20 CBGD CC(C)N(C)CC(=O)Nc1cccc(B(O)O)c1 584909791 INCKZSTZHXFOJX-UHFFFAOYSA-N 250.107 -0.355 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 584997662 JTOOWPSQFVHDQD-AAVRWANBSA-N 285.108 -0.608 50 20 CBGD CC(C)[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)CCN1 585010739 ORLGQDCESZQYCN-ZDUSSCGKSA-N 276.145 -0.564 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCCn3ncnc32)o1 585025692 AIKNOQFOMCUONC-VIFPVBQESA-N 262.078 -0.824 50 20 CBGD CO[C@H]1COCC[C@@H]1CNCc1ccc(B(O)O)o1 585042995 HALXHAWGVJUOMO-KOLCDFICSA-N 269.106 -0.900 50 20 CBGD CC(C)n1cc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cn1 585058117 AJKWOQXKWVBOFH-VIFPVBQESA-N 287.150 -0.299 50 20 CBGD O=C(c1cnn2ncccc12)N1CC[C@H](B(O)O)C1 585067688 ZMBZQEVRFZFDGN-QMMMGPOBSA-N 260.062 -0.582 50 20 CBGD C[C@@H](C(=O)NCB(O)O)n1ccc(C(F)(F)F)n1 585068267 ZIRNLTQDBIMBLL-YFKPBYRVSA-N 265.000 -0.409 50 20 CBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@H](B(O)O)C1 585074246 LASDXRNQLKOGTG-ZYHUDNBSSA-N 290.128 -0.120 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C(C)C)N(C)C 732052562 NITWGXYJODMTQV-VIFPVBQESA-N 272.349 -0.755 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@H](O)c1cccnc1 732258264 PJIMCGPZSHMFGN-LLVKDONJSA-N 274.280 -0.085 50 20 CBGD CCCN(CC(=O)O)CC(=O)NNC(=O)C1CC1 737824976 AIFHXFOEDQCGCV-UHFFFAOYSA-N 257.290 -0.660 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccn(C)c1 749855385 LNIXLTFEDQPKKK-QMMMGPOBSA-N 272.330 -0.587 50 20 CBGD C[C@H](NC(=S)NNC(=O)CCNC(N)=O)C1CC1 751618543 HNQOKDIHGJWUDT-LURJTMIESA-N 273.362 -0.661 50 20 CBGD Cn1cccc(NC(=O)NNC(=O)C2CC2)c1=O 753935475 LHCHUXJPYYBQIO-UHFFFAOYSA-N 250.258 -0.052 50 20 CBGD COC[C@H](C)CC(=O)NNC(=O)CNC(=O)c1ccco1 755267066 NCKJLVGNROWCOL-SECBINFHSA-N 297.311 -0.171 50 20 CBGD O=C(NN=C1CCN2CCC[C@H]12)[C@@H]1CCS(=O)(=O)C1 765565215 RNNREGVCZJTPNK-MWLCHTKSSA-N 285.369 -0.239 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](CC)N(C)C 765638758 PPSBKQOGPXSYCV-SNVBAGLBSA-N 286.376 -0.221 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(=O)n1C 772220365 YOEUSMWNNSVQKG-QMMMGPOBSA-N 295.295 -0.512 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCCCO2)CC1 791157512 YYDKOOFKSHWDRN-SNVBAGLBSA-N 270.333 -0.456 50 20 CBGD COC(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1C 792606369 FDLJGZCSICSIJQ-UHFFFAOYSA-N 287.297 -0.357 50 20 CBGD CS(=O)(=O)NCCC(=O)NNc1cccc(F)n1 804770807 SWWOLYRHAMUSPA-UHFFFAOYSA-N 276.293 -0.397 50 20 CBGD O=CN1CCC[C@H]1C(=O)NNC(=O)NCc1ccco1 823799429 PUODAXSKZKWCKF-JTQLQIEISA-N 280.284 -0.269 50 20 CBGD CCN(CCO)NC(=O)C1=C(C)C(C)(C)OC1=O 823855798 GMCWAPHCZYUWAP-UHFFFAOYSA-N 256.302 -0.016 50 20 CBGD Cc1cc(NNC(=O)[C@H]2CCCN2C)nc(N)n1 828366937 DVDCIMHACPIHCV-MRVPVSSYSA-N 250.306 -0.095 50 20 CBGD CCOC(=O)c1cc(C=NNC(=O)N2CCOCC2)[nH]n1 842524269 BMLMRMTWACNXRM-UHFFFAOYSA-N 295.299 -0.038 50 20 CBGD C[C@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)c1cc[nH]n1 855359168 HTTUKJAOUDFGHT-IUCAKERBSA-N 282.300 -0.245 50 20 CBGD C[C@]1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCCO1 858290750 XGEZUCABTLNMQT-PRHODGIISA-N 284.316 -0.836 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H](CCSC)NC(N)=O 860668347 PSBWCVORJUGPBQ-ZETCQYMHSA-N 291.377 -0.531 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2 863459705 YFSVATLUKOOEHQ-CIUDSAMLSA-N 274.342 -0.385 50 20 CBGD O=C(NNC(=O)[C@H]1CCCNC1=O)NC1CCCC1 865036666 GCSLGCNDFPLVQX-VIFPVBQESA-N 268.317 -0.214 50 20 CBGD O=S(=O)(CBr)N1C[C@@H]2C[C@H]1CN2 866788814 GRHYJOGWCQPFRQ-WDSKDSINSA-N 255.137 -0.285 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCC[C@H]1F 872350717 DZOYMVULWBNTHH-RNFRBKRXSA-N 265.310 -0.082 50 20 CBGD COCCn1cc(CNC(=O)NN(C)C(=O)OC)cn1 875560766 MZRZPCIVNAUISB-UHFFFAOYSA-N 285.304 -0.058 50 20 CBGD O=C1NC(=O)N2CCN(S(=O)(=O)CCCCl)C[C@@H]12 882048068 CCWWNDRGVFDGEK-ZETCQYMHSA-N 295.748 -0.819 50 20 CBGD C#CCCCC(=O)NNC(=O)c1ccc(=O)n(CC)n1 887142914 FBXRUVQSVSYSMU-UHFFFAOYSA-N 276.296 -0.172 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccc(C(N)=O)s1 910164954 FNILKNBLLDEIKS-LURJTMIESA-N 257.315 -0.196 50 20 CBGD C[C@H](O)CN(C)NC(=O)Cn1nnc(-c2ccccc2)n1 910174536 VIBLQFJWBBRULG-JTQLQIEISA-N 290.327 -0.316 50 20 CBGD Cc1c(C(=O)O)oc2c1C(=NNC(=O)C(N)=O)CCC2 915935898 VZZVHFHQRPVLMV-UHFFFAOYSA-N 279.252 -0.072 50 20 CBGD O=C(Cn1cnc2ccccc21)NNC(=O)c1cnn[nH]1 919690651 XLIUHOOJGHAMEK-UHFFFAOYSA-N 285.267 -0.384 50 20 CBGD O=C1CSC[C@@H](C(=O)NNc2cccnn2)N1 935342463 FJFBMVAPOVBXCM-LURJTMIESA-N 253.287 -0.849 50 20 CBGD O=C(C[C@@H]1CC(=O)NC1=O)NCC(Cl)Cl 935968910 XPKWGSCNULDVQV-SCSAIBSYSA-N 253.085 -0.041 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1nccn1CC 1117670327 VNPHRLDAYSAJAX-UHFFFAOYSA-N 295.343 -0.031 50 20 CBGD O=C(CCn1cnccc1=O)NNC(=O)C1CCC1 1117711552 DQWSTPYYEZVAMJ-UHFFFAOYSA-N 264.285 -0.419 50 20 CBGD C[C@H](NNC(=O)c1cnn(C[C@@H](O)CO)c1)C(F)(F)F 1118943271 JWFCTTRLLYXYNO-POYBYMJQSA-N 296.249 -0.579 50 20 CBGD O=C(CC#Cc1ccccc1)NNC(=O)[C@H]1CCC(=O)N1 1261999266 KZOPAYQTFJXJSV-GFCCVEGCSA-N 285.303 -0.146 50 20 CBGD CC(C)CC(=O)NNC(=O)CN1CCC(=O)NC1=O 1318503846 MWMBFDBDHBFXLB-UHFFFAOYSA-N 270.289 -0.878 50 20 CBGD O=C(CO[C@@H]1CCOC1)NNC(=O)Cc1cccnc1 1318978947 BXVBBIUCLRWMOB-LLVKDONJSA-N 279.296 -0.423 50 20 CBGD CC(C)S(=O)(=O)CC(=O)NNC(=O)Cc1ccncc1 1319028442 NMQGEAXVYISWRW-UHFFFAOYSA-N 299.352 -0.405 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H](CCO)CC(C)C 1319095621 RHWBOQGVUIDGKF-SECBINFHSA-N 289.332 -0.466 50 20 CBGD Cn1ncc([N+](=O)[O-])c1C(=O)NNC(=O)C1CC1 1319655664 DZTSGHWEBFVQRK-UHFFFAOYSA-N 253.218 -0.501 50 20 CBGD C[C@H](C[S@](C)=O)NC(=O)NNC(=O)Cc1ccncc1 1320943755 GJPFJRWDVPSTLC-YBYGRFCBSA-N 298.368 -0.279 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=S)NC(C)C 1324034829 RTAQAQIPJYRIAW-UHFFFAOYSA-N 262.335 -0.412 50 20 CBGD Cn1nnc2c1C[C@H](C(=O)NNc1ncccn1)CC2 1327647942 TXCJKWQINZKEEY-MRVPVSSYSA-N 273.300 -0.147 50 20 CBGD C[C@@H](N)C[C@@H](C)NC(=O)NNC(=O)c1cnn(C)c1 1329282371 TYFPXYQQBFZXKY-HTQZYQBOSA-N 268.321 -0.510 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1ccn(CC)n1 1330297824 AJRAKBTVNHMBBF-UHFFFAOYSA-N 269.261 -0.381 50 20 CBGD C=C[C@@H](COC)NC(=O)NNC(=O)c1cn[nH]c1 1331299007 YYYDXURFXJOKOG-QMMMGPOBSA-N 253.262 -0.445 50 20 CBGD O=C(CN1CCC2(CC1)CNC(=O)O2)NNC(=O)C1CC1 1333208160 KRHFASINRGWYHP-UHFFFAOYSA-N 296.327 -0.882 50 20 CBGD CNC(=S)N(C)NC(=O)CCCCCS(N)(=O)=O 1347795752 CCRIBVJSUKGEEP-UHFFFAOYSA-N 296.418 -0.697 50 20 CBGD COc1cc(C)nc(NNC(=O)CN2C(=O)CCC2=O)n1 1351011372 XFWBSJJHAXJKPD-UHFFFAOYSA-N 293.283 -0.614 50 20 CBGD C[S@@](=O)C1(CNC(=O)NNC(=O)c2cn[nH]c2)CCC1 1351351141 IKCJEGPDTLEHBV-HXUWFJFHSA-N 299.356 -0.345 50 20 CBGD CC(C)CC(=O)NNS(=O)(=O)c1cnnn1C 1351662210 IOJBPNWDQOHBKH-UHFFFAOYSA-N 261.307 -0.829 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1c[nH]nc1[C@@H]1CCNC1 1576036470 JUFDSJLGRNYNKU-RKDXNWHRSA-N 267.333 -0.556 50 20 CBGD O=C(O)CC1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1601957178 UYEBLFBGXMVDEB-UHFFFAOYSA-N 291.112 -0.307 50 20 CBGD CC1(C)CCC[C@@H](CNC(=O)NNC(=O)C(=O)O)O1 1604528609 KEWPSRGGKHWCJP-ZETCQYMHSA-N 273.289 -0.251 50 20 CBGD O=C(O)C1=NO[C@@H](C(=O)NNC(=O)C2CCCC2)C1 1605971205 VZUXSESNOKXRMA-MRVPVSSYSA-N 269.257 -0.447 50 20 CBGD O=C(O)CNC(=O)NNC(=S)NCCc1cccnc1 1608754694 YONHPGPOFQVNND-UHFFFAOYSA-N 297.340 -0.613 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCC(=O)O)cc1 1611183166 UVTHSXYAPJTOID-UHFFFAOYSA-N 293.279 -0.054 50 20 CBGD COCCCNC(=O)NNC(=O)CCn1cc(C)cn1 49197975 MRCLGZMCOLUDQQ-UHFFFAOYSA-N 283.332 -0.051 50 20 CBGD CC(C)NC(=O)N1CCC[C@H]1C(=O)NN(C)C(N)=O 272237285 WRGNFVWXEKYLLZ-QMMMGPOBSA-N 271.321 -0.390 50 20 CBGD CC(C)SCCNC(=O)NNC(=O)C(=O)NC1CC1 288108937 VGUXIRCUDUUFGU-UHFFFAOYSA-N 288.373 -0.263 50 20 CBGD O=C(CO)NNC(=O)c1ccc2c(c1)NC(=O)CCS2 368270824 BWBJBWDUAHNYEE-UHFFFAOYSA-N 295.320 -0.126 50 20 CBGD COC(=O)NNS(=O)(=O)c1cnc2c(c1)c(C)nn2C 490965084 BCFWSZMYMCHSJY-UHFFFAOYSA-N 299.312 -0.174 50 20 CBGD COC(=O)N(C)NS(=O)(=O)C[C@H]1CCCO1 497195481 VHWSAIYQUCMSEI-SSDOTTSWSA-N 252.292 -0.302 50 20 CBGD C[C@H]1C[C@@H](NC(=O)c2cc(B(O)O)ccc2F)CO1 585004111 XZXOESWPTRKXEB-IONNQARKSA-N 267.065 -0.587 50 20 CBGD C[C@H](NCc1ccc(B(O)O)o1)C(=O)N1CCCC[C@H]1C 585019906 JNLMVPXZTMLWGO-MNOVXSKESA-N 294.160 -0.162 50 20 CBGD CCc1[nH]nc(NCc2ccc(B(O)O)cc2)c1C 585030968 MYMFVGRANGIODQ-UHFFFAOYSA-N 259.118 0.572 50 20 CBGD CNC(=O)[C@H]1CCC[C@@H]1NCc1ccc(B(O)O)cc1 585031513 GDQFCNXWUVTJGN-STQMWFEESA-N 276.145 -0.629 50 20 CBGD O=C(CCOc1ccccc1[N+](=O)[O-])NCB(O)O 585060710 ITMWNURXEQAKOW-UHFFFAOYSA-N 268.034 -0.508 50 20 CBGD Cc1ccc(NNC(=O)NC[C@@H]2COCCO2)nn1 730024107 BVDYPEAZWJQIHJ-SECBINFHSA-N 267.289 -0.173 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 731595608 IWAWJZUAORJKHZ-UHFFFAOYSA-N 292.251 -0.379 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cnn(C)c1C 731878787 JAEIFJGFHSRYHH-UHFFFAOYSA-N 262.273 -0.165 50 20 CBGD COC1(C(=O)NNC(=O)C(=O)N2CCCC2)CCCC1 754209959 XMRXSEDNKJHBCH-UHFFFAOYSA-N 283.328 -0.285 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc2c(c1)NC(=O)CS2 755552864 OXSXELBIVSIQJI-UHFFFAOYSA-N 296.308 -0.124 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)C)[C@H]1CCNC1=O 759439697 YFLRRQBRJCVCNR-QMMMGPOBSA-N 270.333 -1.000 50 20 CBGD CN(CC(=O)NN=c1cc[nH]cc1)[C@H]1CCS(=O)(=O)C1 780760898 JBMOKLYIHUBCHR-NSHDSACASA-N 298.368 -0.935 50 20 CBGD COCCn1cc(C(=O)NNC(=O)CN(C)C)c(C)n1 782854247 QQUPOTJVUJYNQJ-UHFFFAOYSA-N 283.332 -0.839 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CCC(C)(C)O 786730860 BKHIOZKRYIWLDZ-UHFFFAOYSA-N 259.306 -0.791 50 20 CBGD C[C@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)C(C)(C)O 787946335 RFGIZHQRGYRHGU-VHSXEESVSA-N 288.344 -0.121 50 20 CBGD C[C@@H]1COC(=O)C1=NNC(=O)[C@H](C)CN1CCOCC1 794879476 MQUARQXDNRUUFA-NXEZZACHSA-N 283.328 -0.380 50 20 CBGD CC[C@@](C)(OC)C(=O)NNC(=O)N1CCOCC1 797716384 QJALSARZHHXRJK-LLVKDONJSA-N 259.306 -0.126 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCS[C@@H]1C 814835539 UOYHDCHDOLUVGE-NKWVEPMBSA-N 279.387 -0.078 50 20 CBGD C[C@H]1C[C@@H](C)[C@H](CN)CN1CC(=O)NNC(=O)C1CC1 817880454 VFSIRFWUHSFVIP-JFGNBEQYSA-N 282.388 -0.151 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@@H]1CC(=O)N(C)C1)C1CC1 819037859 YSHWXPJEVOTTJN-VXNVDRBHSA-N 284.385 -0.242 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@H]1COCCN1CC(F)F 822841107 TYWDYKLJYNYQFY-MRVPVSSYSA-N 294.302 -0.309 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O 823842781 YRHUFEAOCCCTOU-JTQLQIEISA-N 293.389 -0.854 50 20 CBGD COC(=O)c1ccc(C(=O)NN(C)C[C@H](C)O)[nH]1 824185787 DFRHCQKYHSZALL-ZETCQYMHSA-N 255.274 -0.241 50 20 CBGD NC1(CNCC(=O)NNC(=O)c2ccccc2)CCC1 843368052 MZALBAMWZIDPQU-UHFFFAOYSA-N 276.340 -0.081 50 20 CBGD C=CCNC(=S)NNC(=O)Cc1nnn(C(C)(C)C)n1 854185637 FGRSTDTZOHTWDG-UHFFFAOYSA-N 297.388 -0.348 50 20 CBGD CNC(=S)N(C)NC(=O)/C=C/c1cnc(OC)nc1 854922225 AZVRCGWPIYONOR-SNAWJCMRSA-N 281.341 -0.034 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)c2cc[nH]n2)CCO1 855356045 FOUQPYDNCFSVRR-HTQZYQBOSA-N 252.274 -0.014 50 20 CBGD CN(C)c1ccc(C2(C(=O)NNC(=O)CO)CC2)cc1 857170339 OIXRFHDJLAEBAO-UHFFFAOYSA-N 277.324 -0.076 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cnn(C2CC2)c1 858906143 PKDVRTVOMGVOPC-UHFFFAOYSA-N 279.300 -0.095 50 20 CBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNc2cccc(F)n2)O1 861686681 RHMUUTMBTKUSBY-NKWVEPMBSA-N 268.248 -0.303 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cccc2c1OCC2 861805913 PXJBXVHFHAMCQI-UHFFFAOYSA-N 293.279 -0.646 50 20 CBGD Cc1cc(=NNC(=O)[C@@H]2CCCN2C(N)=O)cc[nH]1 862512926 LROFZCZNTNJUAD-JTQLQIEISA-N 263.301 -0.202 50 20 CBGD Cc1cccc(CC(=O)NNC(=O)CS(C)(=O)=O)c1 863460643 GCETVGIHDVRDHY-UHFFFAOYSA-N 284.337 -0.270 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N(CCCO)C1CC1 867091434 LNZQFVAALQNAQY-UHFFFAOYSA-N 281.092 -0.508 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CCCCN(C)C1=O 873766100 XSWPXGRJIKQZKZ-VIFPVBQESA-N 284.385 -0.074 50 20 CBGD O=C(NCC[C@H](O)C1CC1)c1cccc(B(O)O)c1 890714768 SQRZJDRFKJDARO-LBPRGKRZSA-N 263.102 -0.743 50 20 CBGD C[C@H](O)CN(C)NC(=O)CCCNC(=O)c1cccnc1 910161299 VOPPUXWXWXVPFI-NSHDSACASA-N 294.355 -0.065 50 20 CBGD C[C@H](O)CN(C)NC(=O)CCSc1nnnn1C 910170481 MHQFEXSULBLNPU-ZETCQYMHSA-N 274.350 -0.964 50 20 CBGD O=C(CCCn1cncn1)NNC(=O)c1ccc[nH]1 917391274 MFGZSHBFXXDUPL-UHFFFAOYSA-N 262.273 -0.152 50 20 CBGD CCO/C=C(/C#N)C(=O)NCCN1CCNC1=O 924249508 PIKJURNYIPTVRH-HJWRWDBZSA-N 252.274 -0.428 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCCn2cncn2)cn1 1119530063 RDKBUWVECCTUAH-UHFFFAOYSA-N 277.288 -0.747 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C(C)(C)S(C)(=O)=O 1318553871 AEDZAOAICQEPSG-UHFFFAOYSA-N 288.329 -0.698 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cccc(C)c1C#N 1320235646 YRIWIOPVDFOYOG-UHFFFAOYSA-N 260.253 -0.028 50 20 CBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCSC1 1322587032 FHNBFBWNKBDYKY-SFYZADRCSA-N 292.382 -0.678 50 20 CBGD Cc1nn(C)cc1CCC(=O)NNC(=O)Cc1cc[nH]n1 1325320042 BQGGBGJNLOPWQW-UHFFFAOYSA-N 290.327 -0.226 50 20 CBGD CCn1cnnc1CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 1325960701 IUJPDYVIFHEBIB-IUCAKERBSA-N 296.331 -0.447 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCn2ccnc2C1 1325996333 NCMHQWDCZYHXKM-SECBINFHSA-N 265.317 -0.846 50 20 CBGD CN1CC[C@]2(CCN(C(=O)NNC(=O)c3cn[nH]c3)C2)C1 1329193776 QQIUVBMADZEADH-ZDUSSCGKSA-N 292.343 -0.208 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@]1(F)CCOC1 1329537379 CPKBBABBDAYURK-DKCNOQQISA-N 260.265 -0.313 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C1CC(F)(F)C1 1331683256 XQRUZMLEJHKASG-UHFFFAOYSA-N 263.244 -0.296 50 20 CBGD CCN(CCO)NC(=O)Cn1cc(C2CC2)nn1 1332468682 GGENQKJUDUVFEY-UHFFFAOYSA-N 253.306 -0.499 50 20 CBGD Cc1cc(C(=O)NNC(=O)C[C@@H]2C=CS(=O)(=O)C2)n[nH]1 1333586910 JWBVZIQABXMTQB-QMMMGPOBSA-N 298.324 -0.572 50 20 CBGD COCCN1C[C@H](C(=O)NNc2ccn(C)n2)CC1=O 1339438891 SJGLZVOSKGMOPW-SECBINFHSA-N 281.316 -0.642 50 20 CBGD C[C@@H](C(=O)NNc1ncccn1)[C@H](C)S(C)(=O)=O 1339549857 VHDNUMJBVORGKE-SFYZADRCSA-N 272.330 -0.011 50 20 CBGD Cc1nnsc1C=NNC(=O)[C@H](C)NS(C)(=O)=O 1343846735 BJYFVQBZZWDEQR-LURJTMIESA-N 291.358 -0.766 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1NCC[C@@H]2CCCC[C@H]21 1578413456 PBNREQPWTZCNGV-DMDPSCGWSA-N 282.388 -0.136 50 20 CBGD CN(NC(=O)C[C@H]1CNCCS1(=O)=O)c1ccccn1 1578506265 JOJMDYCTENXRFS-JTQLQIEISA-N 298.368 -0.674 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@H]1NCc2n[nH]cc21 1579974330 MEWBXDWWGFYRPC-JTQLQIEISA-N 274.284 -0.646 50 20 CBGD C/C(C#N)=C\Cn1c(O)ncc(-c2nn[nH]n2)c1=O 1588924124 DFZMERQGPHHNRS-QHHAFSJGSA-N 259.229 -0.401 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCCn1ccc(C(=O)O)n1 1590882938 UGTHEIHVIWMOGM-UHFFFAOYSA-N 298.299 -0.720 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1594643457 GLANZYQVRLBANS-BGZDPUMWSA-N 286.284 -0.809 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)CC(=O)O 1594712527 QKIOLBGUTNNJTO-RQJHMYQMSA-N 274.273 -0.414 50 20 CBGD O=C(NNC(=O)[C@H](C(=O)O)C1CCCC1)C(=O)NC1CC1 1594779021 ISFSYUPCKJXCSU-SECBINFHSA-N 297.311 -0.697 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CCOCC1)c1ccccn1 1594782615 CHIAOWICAJSFTG-UHFFFAOYSA-N 293.279 -0.276 50 20 CBGD Cc1cc(=NNC(=O)NCCOCC(=O)O)cc[nH]1 1600283008 KEXBUELEIQNGTH-UHFFFAOYSA-N 268.273 -0.461 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)N2CC[C@](O)(C(=O)O)C2)cn1 1600944973 CRTBOZLMNODLME-MQSIBISMSA-N 290.279 -0.625 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)Nc1ccc(C(=O)O)nc1 1601556034 WPNUYFHBIRYIEX-UHFFFAOYSA-N 290.239 -0.031 50 20 CBGD CNC(=O)NNC(=O)c1cc(F)c(-c2nn[nH]n2)c(F)c1 1604886342 SBNITRUGHQIVCI-UHFFFAOYSA-N 297.225 -0.281 50 20 CBGD O=C(O)CN1CCC(NC(=O)NNC(=O)C2CCC2)CC1 1606240537 NUQDMQSKZDJKNI-UHFFFAOYSA-N 298.343 -0.334 50 20 CBGD CC(=O)NCCCNC(=O)NNc1ccc(C)nn1 106257302 HMZIGOIHCVBVCX-UHFFFAOYSA-N 266.305 -0.063 50 20 CBGD C[C@@H](C(=O)NNC(=O)C(=O)NC1CC1)N1CCCCCC1 118758983 YUDMTZSVTPKKDA-JTQLQIEISA-N 296.371 -0.323 50 20 CBGD C[C@@H](NS(=O)(=O)CBr)C(=O)N(C)C 127025656 XAXNMFFHMPQMRW-RXMQYKEDSA-N 273.152 -0.265 50 20 CBGD CN(NC(=O)CN1CCCCCCC1=O)C(N)=O 182663263 HDZCKKMMJBRBHB-UHFFFAOYSA-N 256.306 -0.179 50 20 CBGD CCOCCO[C@@H](C)C(=O)NNC(=O)c1cc(C)n[nH]1 269058426 PNOCUZPCMUXSMI-VIFPVBQESA-N 284.316 -0.079 50 20 CBGD O=C(CO)NNC(=O)CC[C@@H]1Cc2ccccc2NC1=O 370346610 ASJCMMOAGNWZRG-SNVBAGLBSA-N 291.307 -0.283 50 20 CBGD C#CCn1ccnc1C=NNC(=O)Cc1cc[nH]n1 491122132 TXXOCLRFXREGJO-UHFFFAOYSA-N 256.269 -0.068 50 20 CBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=O)c1ccccc1 496928128 HAKWNVBELPLHDQ-IONNQARKSA-N 263.253 -0.056 50 20 CBGD N#CC1(NC(=O)COc2ccc(B(O)O)cc2)CCC1 584911117 XKQQYOVPDWYLSN-UHFFFAOYSA-N 274.085 -0.692 50 20 CBGD CCN1CCC[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 584942895 ZEXBUXKAKYFIOZ-NSHDSACASA-N 294.135 -0.280 50 20 CBGD C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(B(O)O)ccc1F 584996968 AUYOJNNPBAUUOE-OLZOCXBDSA-N 293.103 -0.031 50 20 CBGD OB(O)c1ccc(CNC[C@H]2CCC[C@@H]2O)c(F)c1 585026510 HQFWLXBBHIXWNO-MFKMUULPSA-N 267.109 -0.244 50 20 CBGD COC1(CNCc2ccc(B(O)O)cc2)CCOCC1 585029933 MJQYBZJZCFRJDX-UHFFFAOYSA-N 279.145 -0.348 50 20 CBGD CN(C)C1(CNCc2ccc(B(O)O)o2)CCC1 585037375 VTMICGSJKWESCL-UHFFFAOYSA-N 252.123 -0.467 50 20 CBGD Cc1nnc(CCNCc2cccc(B(O)O)c2)s1 585040383 DUEKAZZOSSSYFI-UHFFFAOYSA-N 277.158 -0.141 50 20 CBGD Cc1cc(S(=O)(=O)NCB(O)O)ccc1[N+](=O)[O-] 585055472 BMOJNDITWRSXTF-UHFFFAOYSA-N 274.063 -0.806 50 20 CBGD C#Cc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cn1 728863403 PBNKHDGNBCUBPP-UHFFFAOYSA-N 286.291 -0.554 50 20 CBGD O=C(NNC1=N[C@H]2C=C[C@H]1C2)[C@H]1CCS(=O)(=O)C1 739413409 QIANBNAEJWQQON-CIUDSAMLSA-N 269.326 -0.601 50 20 CBGD CC(C)NC(=O)NNC(=O)CC1(CS(C)(=O)=O)CC1 746839860 JANFQJRFEFDOIJ-UHFFFAOYSA-N 291.373 -0.060 50 20 CBGD C[C@@H]1OCCC1=NNC(=O)[C@@H]1CCS(=O)(=O)C1 747752066 UXKBDESNWALZKZ-JGVFFNPUSA-N 260.315 -0.298 50 20 CBGD CC(C)[C@@H]1C[C@@H](CC(=O)NNC(=O)CO)CCO1 753438864 SLDHNWWXWUEQQE-UWVGGRQHSA-N 258.318 -0.033 50 20 CBGD Cc1ccc(S(C)(=O)=O)cc1C(=O)NNC(=O)CO 753439172 WFFVBUVEUHYBBL-UHFFFAOYSA-N 286.309 -0.848 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCCN(C)CC1 758120772 QTAYTRNBDPVHKT-SECBINFHSA-N 290.389 -0.488 50 20 CBGD O=C(Cn1ccccc1=O)NNC(=O)c1cccc(F)n1 763471725 DJSFBLBEFMLFNI-UHFFFAOYSA-N 290.254 -0.156 50 20 CBGD C[C@H](Oc1cccc(C=NNC(=O)CO)c1)C(=O)O 776779795 AOWIAPQSMKDXCS-QMMMGPOBSA-N 266.253 -0.019 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)SCC(=O)OCCOC 783515537 GNOBFHRGWWMAND-MRVPVSSYSA-N 292.357 -0.145 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NNc1cnccn1 783652311 SNBZXHIRGVAHRT-JTQLQIEISA-N 265.317 -0.112 50 20 CBGD C[C@H](C[S@@](C)=O)NC(=O)NNc1cccnn1 784535133 GCQNDLBYAHCHLU-IWEMQMMOSA-N 257.319 -0.130 50 20 CBGD COc1cccc(C=NNC(=O)C(=O)NC2CC2)n1 790154119 RDAFJYBYGADNOA-UHFFFAOYSA-N 262.269 -0.181 50 20 CBGD COCCOCCC(=O)NNC(=O)NCC(F)(F)F 798315748 PLMXZGYXDDOUEH-UHFFFAOYSA-N 287.238 -0.068 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1nn(CC)nc1C 815295655 LXHFVTFYFQLOMB-MRVPVSSYSA-N 297.315 -0.291 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccc(S(C)(=O)=O)nc1 822556128 DGMTZNOUUVNDDL-QMMMGPOBSA-N 287.341 -0.558 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H](C)CC(=O)O)n[nH]1 832864649 QHZWCEWOQUKBKC-RXMQYKEDSA-N 254.246 -0.410 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H](CC(C)C)C(N)=O 840290495 DMSHJKWCJOOGJB-QMMMGPOBSA-N 258.322 -0.126 50 20 CBGD CCNCC(=O)NNc1nc2ccccc2c(=O)n1C 843369757 MXDOUWAPIIRFOH-UHFFFAOYSA-N 275.312 -0.014 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1ccn(C)n1 843661510 MAYYRVKNDVIZQB-WPRPVWTQSA-N 266.301 -0.465 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCOCCF 852393482 GCAPFQTZOQGGJB-IUCAKERBSA-N 277.296 -0.272 50 20 CBGD O=C(CC1CC1)NNC(=O)c1nc2ncccn2n1 854668195 YPZGBVNUJKKFQD-UHFFFAOYSA-N 260.257 -0.315 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)c2cccc(Cl)n2)CC1 857326546 XNZRDGJTNVJIMR-UHFFFAOYSA-N 282.687 -0.239 50 20 CBGD COc1cc(NC(=O)NNC(=O)CN)cc(OC)c1OC 857763081 OMDOIGRCYNRNAN-UHFFFAOYSA-N 298.299 -0.176 50 20 CBGD Cc1csc(=O)n1CCC(=O)NNC(=O)c1cn[nH]c1 862474761 ZVBKICMMPRPCFV-UHFFFAOYSA-N 295.324 -0.207 50 20 CBGD Cc1cc(=NNC(=O)[C@H]2CN(C)CCO2)cc[nH]1 862513802 VRNSHRZFGSAADL-LLVKDONJSA-N 250.302 -0.414 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccc(C)nc1OC 869907281 HDVWQGFJRVWPDR-UHFFFAOYSA-N 297.311 -0.177 50 20 CBGD CC/C=C(\C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 914879118 LGRZWKNWTCQZCQ-VGANXODHSA-N 274.342 -0.075 50 20 CBGD CCc1c(C(=O)NNC(=O)C(=O)NC2CC2)cnn1C 1115851890 MOLZJGQUQCQGDD-UHFFFAOYSA-N 279.300 -0.978 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(CN(C)C)on1 1118219569 ULDCXTZJCMWEOQ-WPRPVWTQSA-N 296.327 -0.078 50 20 CBGD COCCN(C)NC(=O)c1cn(C2CCOCC2)nn1 1261552225 KKNYVJJKQRFRIN-UHFFFAOYSA-N 283.332 -0.147 50 20 CBGD O=C(NNC(=S)NCC1CCC1)C(=O)N1CCCC1 1318219431 GYAQZKNGKCDGPO-UHFFFAOYSA-N 284.385 -0.096 50 20 CBGD Cn1cc(C(=O)NNC(=O)N[C@H]2CCCCNC2=O)cn1 1318571352 UVUKNMURTFUEDW-VIFPVBQESA-N 294.315 -0.967 50 20 CBGD Cc1cccnc1NNC(=O)c1cn(CC(N)=O)nn1 1320711925 TZNHUTPAGZHKLB-UHFFFAOYSA-N 275.272 -0.776 50 20 CBGD Cn1nncc1C(=O)NNc1cccc(S(C)(=O)=O)c1 1326995161 BQJXFDHVNARLNA-UHFFFAOYSA-N 295.324 -0.025 50 20 CBGD CN(NC(=O)c1cnc(C2CC2)nc1N)C(N)=O 1328621295 KIDFBTZHPQZTNH-UHFFFAOYSA-N 250.262 -0.409 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2C[C@H]2c2cccnc2)N1 1329200750 HBEOTGREDVQRGF-HBNTYKKESA-N 288.307 -0.389 50 20 CBGD Cc1sc(=O)n(CC(=O)NN(C)C[C@@H](C)O)c1C 1333347112 HUPQNCDAGSXECU-SSDOTTSWSA-N 273.358 -0.130 50 20 CBGD Cc1nc(CC(=O)NNC(=O)Cc2cccnc2)n[nH]1 1333909301 XYHUIEWPGRQTNJ-UHFFFAOYSA-N 274.284 -0.559 50 20 CBGD Cc1cc(C(=O)NNC(=O)CO[C@@H]2CCOC2)n[nH]1 1336226980 FSRRVCCUMVMWQG-MRVPVSSYSA-N 268.273 -0.715 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc(-n2nccn2)cc1 1337960995 KZAWFGSOTFSNRP-UHFFFAOYSA-N 288.267 -0.627 50 20 CBGD NC(=O)Cc1occc1C(=O)NNC(=O)c1ccc[nH]1 1345369508 XPMJLVUQJAXOAP-UHFFFAOYSA-N 276.252 -0.290 50 20 CBGD CCO/C=C(\C#N)C(=O)NCC(=O)N1CCN(C)CC1 1529213020 UOKHHCXQBNBJRQ-ZHACJKMWSA-N 280.328 -0.679 50 20 CBGD Cc1noc(CCCC(=O)NNC(=O)[C@H]2CCN2)n1 1579920919 JOESICWBYAYVBW-MRVPVSSYSA-N 267.289 -0.790 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)[C@@H]1NC[C@@H]2C[C@@H]21 1580735878 GKOUPLVUVBTYJQ-ZDZIUTJZSA-N 265.313 -0.691 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCC(C(=O)O)CC1 1588799637 XJSCRTJJBZHZHP-UHFFFAOYSA-N 271.317 -0.414 50 20 CBGD CCCNC(=O)NNC(=O)[C@@]1(C(=O)O)CCCO1 1589677640 XUQXIKCLYFFLQK-SNVBAGLBSA-N 259.262 -0.639 50 20 CBGD O=C(CC1CC1)NNC(=O)c1cnccc1-c1nn[nH]n1 1592813677 XFZWZUSAEVSWJK-UHFFFAOYSA-N 287.283 -0.177 50 20 CBGD C[C@](Cn1cccn1)(NS(=O)(=O)CCl)C(=O)O 1592926630 UKFFGYGOYTUQAP-MRVPVSSYSA-N 281.721 -0.158 50 20 CBGD O=C(NNC(=O)C1CC1)c1cnccc1-c1nn[nH]n1 1593158125 NBZUJZRSZMOXPG-UHFFFAOYSA-N 273.256 -0.567 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@H](OC)C(=O)O)nc1 1593882830 AOSHKPGEXAKDQW-QMMMGPOBSA-N 283.240 -0.589 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)C1(C(=O)O)CC1 1594702371 WMIJZNVHSDYELL-UHFFFAOYSA-N 294.263 -0.217 50 20 CBGD O=C(O)C1=NO[C@@H](C(=O)NNC(=O)c2ccccn2)C1 1594891479 XTGLFSPAFLELJY-MRVPVSSYSA-N 278.224 -0.928 50 20 CBGD O=C(O)c1cccc(NNC(=O)[C@@]2(O)CCOC2)c1 1602446753 OHEGIKIVFYBKKN-GFCCVEGCSA-N 266.253 -0.021 50 20 CBGD CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)C(=O)O 1607366359 FGLWZFYSTJBDSF-SSDOTTSWSA-N 262.287 -0.470 50 20 CBGD O=C(NNC(=O)C(=O)O)NC1CCN(C2CC2)CC1 1608477001 DVKBFGYMBDAUKJ-UHFFFAOYSA-N 270.289 -0.972 50 20 CBGD O=C(CO)NN=Cc1cc(Cl)ncc1C(=O)O 1776052634 CKTXKTJPPCSOCK-UHFFFAOYSA-N 257.633 -0.124 50 20 CBGD CO[C@@H]1C[C@H](C(=O)O)CN(S(=O)(=O)CCl)C1 1777159188 MQNBXQSTEIYJDP-NKWVEPMBSA-N 271.722 -0.066 50 20 CBGD COC(=O)c1ncn2c(=O)n(CCCl)nnc12 29204021 BPKMKAUUBLTSEE-UHFFFAOYSA-N 257.637 -0.689 50 20 CBGD O=C(CCN1CCOC1=O)NNC(=O)c1ccccn1 49084751 MRFHNHFYNTUAQN-UHFFFAOYSA-N 278.268 -0.315 50 20 CBGD COc1cccc(CC(=O)NNC(=O)CN(C)C)c1 75653078 HYUSMNBQBYZGIY-UHFFFAOYSA-N 265.313 -0.053 50 20 CBGD CN1CC[C@H](NC(=O)NNc2ccc(Cl)nn2)C1=O 172404668 JOMHSBISWZKKDG-LURJTMIESA-N 284.707 -0.013 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2snnc2C)[nH]n1 190568016 MYGTVZSTVAJBMZ-UHFFFAOYSA-N 266.286 -0.047 50 20 CBGD COC(=O)c1cn(CC(=O)NNC(=O)OC(C)(C)C)nn1 266942318 CMDIUWRKPYECHW-UHFFFAOYSA-N 299.287 -0.379 50 20 CBGD CC(=O)NCC(=O)NNC(=O)NC1CCCCC1 298271161 JGGZCHKHDRDRQZ-UHFFFAOYSA-N 256.306 -0.214 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)COCc1ccccc1 299397138 WXKMTZDJKQHPCZ-UHFFFAOYSA-N 293.323 -0.125 50 20 CBGD CCOC(=O)NNS(=O)(=O)C[C@@H](CC)OC 496438233 MNUFBMZAAVOCLK-SSDOTTSWSA-N 254.308 -0.008 50 20 CBGD C[C@@H](CNC(=O)c1cc(B(O)O)ccc1F)N(C)C1CC1 584939926 OALBMCHUAYAXBN-VIFPVBQESA-N 294.135 -0.282 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H](N2CCCC2)C1 584940683 YQECIJBGIGLKGP-AWEZNQCLSA-N 288.156 -0.323 50 20 CBGD C[C@@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)[C@H]1CO 584970214 MSUUAEUDOVEIPG-RNCFNFMXSA-N 295.119 -0.262 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@H]2[C@@H](O)CC[C@H]2C1 584972600 AYBFEEKJLVAQRY-UHTWSYAYSA-N 275.113 -0.791 50 20 CBGD CC(C)(CNC(=O)c1ccc(B(O)O)c(F)c1)OCCO 584994108 XNSUKRBOHBISHK-UHFFFAOYSA-N 299.107 -0.977 50 20 CBGD O=C(CCNCc1ccccc1B(O)O)N1CCCC1 585016424 NCJDZEFMESPACZ-UHFFFAOYSA-N 276.145 -0.532 50 20 CBGD CC[C@@H](CCO)CNCc1cccc(B(O)O)c1 585028744 PYEVNTZFPZXOCI-NSHDSACASA-N 251.135 -0.135 50 20 CBGD CC1(C)COCCN1CCNCc1ccc(B(O)O)o1 585033192 ZUCKRJXXWIDZPW-UHFFFAOYSA-N 282.149 -0.840 50 20 CBGD C[C@@H]1[C@H](NCc2ccccc2B(O)O)CCCN1C 585033962 DFYASEZGRWUCIB-BXUZGUMPSA-N 262.162 -0.061 50 20 CBGD C[C@@H](C[S@@](C)=O)N(C)Cc1ccc(B(O)O)o1 585034337 HYWCHKXPNFAITF-WNWIJWBNSA-N 259.136 -0.842 50 20 CBGD CO[C@@]1(CNCc2ccc(B(O)O)cc2)CCOC1 585036526 MIRHFLRYXXVSMQ-CYBMUJFWSA-N 265.118 -0.739 50 20 CBGD OC[C@@H](CNCc1ccc(B(O)O)o1)c1cccnc1 585041678 SHJIVYCGJWDJHY-LLVKDONJSA-N 276.101 -0.780 50 20 CBGD Cc1cc(CNCc2cccc(B(O)O)c2)n(C)n1 585043071 WTYBESXYSPUYSO-UHFFFAOYSA-N 259.118 -0.302 50 20 CBGD OB(O)c1ccc(CNCCCC2(O)CCC2)o1 585047476 CPVQIOOXADQRCJ-UHFFFAOYSA-N 253.107 -0.256 50 20 CBGD COCC[C@H](C)S(=O)(=O)N1CC[C@@H](B(O)O)C1 585058700 NCCOCKYFLOPYBF-DTWKUNHWSA-N 265.140 -0.710 50 20 CBGD COc1cc(OCC(=O)NCB(O)O)ccc1[N+](=O)[O-] 585062022 OKEFNFQBADYYEX-UHFFFAOYSA-N 284.033 -0.890 50 20 CBGD C[C@H](CC(=O)NCB(O)O)NC(=O)C1CCCCC1 585062223 RTTLLGPWRPTPME-SECBINFHSA-N 270.138 -0.410 50 20 CBGD O=C(NNS(=O)(=O)C[C@H]1CCCO1)C1CCC1 735645562 FFJFCDISTWKEEI-SECBINFHSA-N 262.331 -0.084 50 20 CBGD COc1cc(C)nc(NNC(=O)CNC(=O)C2CC2)n1 746624321 UNHTZYQWOIKTJU-UHFFFAOYSA-N 279.300 -0.237 50 20 CBGD CC(C)c1nn(C)c(Cl)c1C(=O)NNC(=O)CO 753440248 SLGFYRJIUJLBPB-UHFFFAOYSA-N 274.708 -0.050 50 20 CBGD O=C(CCOC[C@@H]1CCCO1)NNC(=O)Cc1cc[nH]n1 755289843 WBJQZAUFGUEGGP-NSHDSACASA-N 296.327 -0.315 50 20 CBGD COc1cc(OC)c(NC(=O)NNC(=O)CO)cc1F 757631591 RIIVMFDVRBLOSG-UHFFFAOYSA-N 287.247 -0.012 50 20 CBGD NC(=O)[C@@H]1CC[C@H](CNC(=O)NNc2ncccn2)O1 760202241 DIUOXGWDMWFTPU-SFYZADRCSA-N 280.288 -0.864 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(F)c1 764303932 URTPIEIEPYGTMS-UHFFFAOYSA-N 283.259 -0.134 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccc(OC)nc1OC 765364270 DHDKAILSAYQZLV-UHFFFAOYSA-N 298.255 -0.576 50 20 CBGD O=C(NNC(=O)[C@H]1CN2CCCN1CC2)c1ccncc1 769535662 PSRFGHXMQGXPEA-GFCCVEGCSA-N 289.339 -0.768 50 20 CBGD CCNC(=O)NNc1nc(O)c2cnn(C)c2n1 769816848 IPCIZLKOWAKPHK-UHFFFAOYSA-N 251.250 -0.285 50 20 CBGD CCNC(=O)CC(=O)NNC(=S)NCCSC 781015908 RDTFXONVKUSWPR-UHFFFAOYSA-N 278.403 -0.629 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](C)n1cncn1 788159536 ZHGOONVGRJSOLW-SECBINFHSA-N 299.331 -0.224 50 20 CBGD Cc1ccc(S(=O)(=O)NNC(=O)N(C)C)cn1 795307208 WWFVZVZMNGGVDD-UHFFFAOYSA-N 258.303 -0.145 50 20 CBGD Cc1c[nH]cc(C(=O)NNC(=O)N2CCN(C)CC2)c1=O 807381047 AZJAMTQPLYLGBQ-UHFFFAOYSA-N 293.327 -0.715 50 20 CBGD CC(Cn1cccn1)=NNC(=O)[C@H]1CCS(=O)(=O)C1 814783125 XIGIYDONTCCPRX-JTQLQIEISA-N 284.341 -0.190 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@@H](C(=O)O)C1 817797161 SVAUNMQOWKRCEY-MRVPVSSYSA-N 271.317 -0.414 50 20 CBGD CNC(=O)NNC(=O)[C@]1(c2ccccc2)CNC(=O)C1 823425129 MOYYWPFWLPABAR-ZDUSSCGKSA-N 276.296 -0.596 50 20 CBGD COC(OC)C(=O)NNC(=O)OCC(F)(F)F 824619519 IRJRGEFOTXQSGF-UHFFFAOYSA-N 260.168 -0.075 50 20 CBGD CCC(=O)N1CCN(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1 827259887 MEOLIENRFIIGIK-VHSXEESVSA-N 298.343 -0.336 50 20 CBGD COc1cccc(NNC(=O)C2=NN3CCCN=C3N2)n1 831876997 TZMFZEMAHWGLLU-UHFFFAOYSA-N 289.299 -0.488 50 20 CBGD Cc1nn(C)cc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843650934 ITYAAAOBSMMTGZ-IUCAKERBSA-N 266.301 -0.085 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CCC1 843973786 LSOHIANLCHVLFL-BDAKNGLRSA-N 283.328 -0.525 50 20 CBGD Cn1ccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)n1 853390713 JQCZMJKGOGVVBB-NEPJUHHUSA-N 277.328 -0.267 50 20 CBGD CC(=O)NNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]21 854155905 YQRMUOCYTKSAND-AEJSXWLSSA-N 253.302 -0.151 50 20 CBGD CS(=O)(=O)NCCC(=O)NCCCSC#N 854362766 AGHIXIDKSFWLDJ-UHFFFAOYSA-N 265.360 -0.354 50 20 CBGD COC/C(C)=C\C(=O)NNC(=O)N1CCN(C)CC1 854382167 ZSPDOKMUIMNNTM-NTMALXAHSA-N 270.333 -0.433 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CCc2cnn(C)c2C1 854921434 RKCKERWBDLIAFP-QMMMGPOBSA-N 281.385 -0.008 50 20 CBGD C=CCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858408686 YVSCWEGINDTJQU-QMMMGPOBSA-N 254.290 -0.438 50 20 CBGD COc1cc(C(C)=NNC(=O)CS(C)(=O)=O)ccn1 863186824 NHQCLCSDUZOOFD-UHFFFAOYSA-N 285.325 -0.025 50 20 CBGD CC(C)NC(=O)NNC(=O)/C=C/CN1CCOCC1 865042586 UZRFLAQEGMDKNO-ONEGZZNKSA-N 270.333 -0.386 50 20 CBGD COCCCC(=O)NNC(=O)Cc1cc(C)[nH]n1 869013025 IZBRNGQDFLWRJR-UHFFFAOYSA-N 254.290 -0.165 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@]1(C)CCNC1=O 873835843 OPUQIMKOBLFLPJ-LBPRGKRZSA-N 264.285 -0.688 50 20 CBGD COCC1(S(=O)(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1 882747239 NAYGIEKAVDUJIE-IUCAKERBSA-N 292.357 -0.459 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccn(CCn2cccn2)n1 910144405 HQNXJQVULMDAIP-LLVKDONJSA-N 292.343 -0.263 50 20 CBGD CCc1c(C(=O)NNC(=O)CN2CCCC2=O)ccn1C 913732548 AJBQJRSHEWWQKD-UHFFFAOYSA-N 292.339 -0.029 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1cccs1 919678589 ADOMOXAUVDJGOD-UHFFFAOYSA-N 262.312 -0.446 50 20 CBGD CNC(=O)NNC(=O)c1cccc(C(=O)NC)c1 1318759275 DFXTZJDIYNNBEK-UHFFFAOYSA-N 250.258 -0.380 50 20 CBGD C[C@H](NC(=O)NNC(=O)C(=O)NC1CC1)C1CCOCC1 1319153340 RSIZPCGCVSWUJJ-QMMMGPOBSA-N 298.343 -0.590 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cncnc1OC 1320906840 AFISRHZXTJXZPR-UHFFFAOYSA-N 296.287 -0.884 50 20 CBGD COC(=O)C(=O)NN=C1CCC[C@@H](S(C)(=O)=O)C1 1321392345 AYGBROIHYHHEDA-MRVPVSSYSA-N 276.314 -0.381 50 20 CBGD CC(=O)NNC(=O)c1cn(C)nc1-c1cnn(C)c1 1324265382 LAXDVRFDEROPJV-UHFFFAOYSA-N 262.273 -0.399 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCn1cccn1 1326279073 IEQLFDQOJCKKNA-ZJUUUORDSA-N 281.316 -0.362 50 20 CBGD Nc1cnnc(NNC(=O)N[C@H]2CCNC2)c1Cl 1327818076 HASIWUWTGRWVQE-YFKPBYRVSA-N 271.712 -0.300 50 20 CBGD C=CC[C@@H](NCc1ccccc1B(O)O)C(=O)OCC 1329182449 GBNXZBBBVXHZDA-CYBMUJFWSA-N 277.129 -0.036 50 20 CBGD C#CCCCC(=O)NNS(=O)(=O)c1cn(C)cn1 1345096805 FOFKNWFNZXQABW-UHFFFAOYSA-N 270.314 -0.467 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2cncn2C)cn1 1347503257 CXDNQALNMNUZMI-NXEZZACHSA-N 288.311 -0.282 50 20 CBGD Cc1nnc(NNC(=O)[C@]2(C(=O)O)C[C@H]2C)n1C 1594492809 LUZNTHAQWLNLKU-FWOIEVBISA-N 253.262 -0.323 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@H]1C(=O)O)C1CCOCC1 1594782657 DZIXOEQSTXNDIK-DTWKUNHWSA-N 270.285 -0.329 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccc(C(=O)O)cc1 1599246678 CIABQJURGKXPSB-UHFFFAOYSA-N 296.279 -0.191 50 20 CBGD CC(C)N1CCC(NC(=O)NNC(=O)C(=O)O)CC1 1609706123 UOJVJHAQABRQSZ-UHFFFAOYSA-N 272.305 -0.726 50 20 CBGD COC(=O)c1ccccc1S(=O)(=O)NNC(C)=O 7405212 XVBKZPNHKOBHEG-UHFFFAOYSA-N 272.282 -0.197 50 20 CBGD O=C(NNC(=O)c1ccc2c(c1)CCO2)C(=O)NC1CC1 43743999 LXETZTATXPAHIM-UHFFFAOYSA-N 289.291 -0.339 50 20 CBGD CC(=O)NNC(=O)CCc1c(C)nc2ncnn2c1C 47220710 BQPNGCIPLORIKB-UHFFFAOYSA-N 276.300 -0.159 50 20 CBGD C[C@H]1CCC[C@@H]1NC(=O)NNC(=O)C(=O)NC1CC1 105311949 VAUUIRDFPJXSLZ-CBAPKCEASA-N 268.317 -0.216 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(CCOC)CC1 111196914 PHGVRFDSEUVEIS-LLVKDONJSA-N 286.376 -0.804 50 20 CBGD C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)CBr 127558626 ZRBFEZWYMPVPLV-NKWVEPMBSA-N 288.163 -0.250 50 20 CBGD Cn1cnn(CC(=O)NNC(=O)CC2CCCC2)c1=O 183143955 BCPSDRIVBPTKJN-UHFFFAOYSA-N 281.316 -0.691 50 20 CBGD O=S(=O)(CCCCCl)NC[C@@H]1CN2CCN1CC2 187553259 WHHUMUPOAMGYDA-LLVKDONJSA-N 295.836 -0.075 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)c2ccc(C)cc2O)C1 276621635 OFNMCGJADORREC-UHFFFAOYSA-N 291.307 -0.060 50 20 CBGD COC(=O)c1cn(CC(=O)NNc2ncccc2C)nn1 276659047 BNKHGZGJEGZBSG-UHFFFAOYSA-N 290.283 -0.089 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)n1C 294738571 UUZCTPDYSAYROM-JTQLQIEISA-N 295.295 -0.248 50 20 CBGD CC(=O)NNC(=O)[C@@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 298204163 XBIMGBOCPSUPMB-QNSHHTMESA-N 281.312 -0.283 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)c2cccn2C)C1 369945276 VWIBUHWVVHCXQD-NSHDSACASA-N 280.328 -0.493 50 20 CBGD COCCN(CC(=O)O)S(=O)(=O)CBr 379504920 NFQYLDLHEOSOIA-UHFFFAOYSA-N 290.135 -0.298 50 20 CBGD CCCNC(=O)/C(C#N)=C\c1cn(CC(=O)O)nn1 490783902 VNASDOSHEZFZGP-YWEYNIOJSA-N 263.257 -0.204 50 20 CBGD O=C(NC1(CO)CCCC1)c1ccc(B(O)O)c(F)c1 584967303 IVCRJHKMNVNXNS-UHFFFAOYSA-N 281.092 -0.460 50 20 CBGD O=C(NC1CCC(CO)CC1)c1cc(B(O)O)ccc1F 584971750 DHJZITSDTONGEJ-UHFFFAOYSA-N 295.119 -0.214 50 20 CBGD C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H](C(N)=O)C1 584975318 VSTAUWLNYHZWPO-SKDRFNHKSA-N 290.128 -0.908 50 20 CBGD OB(O)c1ccc(CNCCOCC(F)(F)F)o1 585015177 RJPMROFKPJPHHN-UHFFFAOYSA-N 267.012 -0.372 50 20 CBGD Cc1ccc(S(=O)(=O)NCB(O)O)cc1[N+](=O)[O-] 585054948 VDSXHNQEJKBVHU-UHFFFAOYSA-N 274.063 -0.806 50 20 CBGD CCCC[C@@H](NC(N)=O)C(=O)N1CC[C@@H](B(O)O)C1 585076034 KFKJJDAGDNVQKL-RKDXNWHRSA-N 271.126 -0.711 50 20 CBGD CC(C)C(=O)NNC(=O)CNC(=O)c1ccc(O)cc1 727483221 MCTAWWMQKHZMAH-UHFFFAOYSA-N 279.296 -0.075 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@H]1CCCOC1 727737217 RHZMMJULXPDPTM-VIFPVBQESA-N 257.290 -0.514 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@@H]1CCC(=O)NC1 731492542 NKBTWJMLPVYRGG-SECBINFHSA-N 291.307 -0.018 50 20 CBGD Cc1n[nH]cc1S(=O)(=O)NNC(=O)NCC1CC1 732046132 UCVMJGOXZHGDHL-UHFFFAOYSA-N 273.318 -0.379 50 20 CBGD CC(C)[C@H](NC(=O)O)C(=O)NNC(=O)c1cnn(C)c1 736373629 FYTSPCFEFNPHTJ-QMMMGPOBSA-N 283.288 -0.527 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(C(=O)O)cc1 736476998 BNQVIQKHAVGKRJ-UHFFFAOYSA-N 293.279 -0.330 50 20 CBGD CC(=O)NNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 749715684 PIDVIESNJIATRT-JTQLQIEISA-N 253.302 -0.198 50 20 CBGD O=C(NNC(=O)C1(C(=O)NC2CC2)CC1)c1ccc[nH]1 749716446 ATQIZHIUHPEDQM-UHFFFAOYSA-N 276.296 -0.166 50 20 CBGD O=C(CO)NNC(=O)CSCc1cscn1 753443943 FVBFZIRDDAJDRP-UHFFFAOYSA-N 261.328 -0.484 50 20 CBGD Cc1nn(CCCl)c(C)c1C(=O)NC(CO)CO 755685256 BDVOULZAKDFSCT-UHFFFAOYSA-N 275.736 -0.178 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC12CCC2 758041023 URBDIIQRCOOLGY-SFYZADRCSA-N 289.357 -0.738 50 20 CBGD CCc1cc(C(=O)NNC(=O)C(C)(C)O)cc(O)n1 768258926 BHQAULRZMDNSOS-UHFFFAOYSA-N 267.285 -0.119 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)CCNC(=O)N(C)C 777716155 JTOSTOQGBOWIMV-VIFPVBQESA-N 287.364 -0.865 50 20 CBGD C=C(CO)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 791291043 RKMJRIGWXOWUEA-UHFFFAOYSA-N 265.225 -0.096 50 20 CBGD CS(=O)(=O)NNC(=O)c1ccc2c(c1)OCCO2 798160383 SGABJNMRPHDALR-UHFFFAOYSA-N 272.282 -0.348 50 20 CBGD C[C@@](O)(C(=O)NNC(=O)N1CCOCC1)c1ccccc1 817525063 XPOMNVXQSRWPJO-AWEZNQCLSA-N 293.323 -0.033 50 20 CBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)CC1CC1 819114715 RMZSBKQNQQWISI-UHFFFAOYSA-N 291.373 -0.395 50 20 CBGD CCN(CCO)NC(=O)[C@](C)(NC(C)=O)C(C)C 823377971 ZEHUDGIMSFUMAE-GFCCVEGCSA-N 259.350 -0.117 50 20 CBGD CC1=C(C(=O)NN(C)[C@@H](C)CO)C(=O)OC1(C)C 823965723 SYVUMYWIRJEUNL-ZETCQYMHSA-N 256.302 -0.018 50 20 CBGD O=C(NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1cccnc1 826445248 MAYCQSCMNGSMGQ-UHFFFAOYSA-N 298.266 -0.335 50 20 CBGD COCCN(C)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O 837620524 BICXPLGPFUQYJO-JTQLQIEISA-N 293.389 -0.590 50 20 CBGD CCOC(=O)[C@@H](CC)C(=O)NNC(=O)N1CCOCC1 840300071 ZJYCONVXNUQKFQ-VIFPVBQESA-N 287.316 -0.351 50 20 CBGD COCCn1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1 843658349 QYLNJZYQLDEBGV-VHSXEESVSA-N 296.327 -0.285 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)N1CCOCC1 845335191 BTNQJJPLFRUZTD-UHFFFAOYSA-N 286.332 -0.778 50 20 CBGD O=C(NN=c1cc[nH]cc1Cl)[C@H]1CCS(=O)(=O)N1 845948489 WBEAMRRGKVNLLT-MRVPVSSYSA-N 290.732 -0.708 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)[C@H]2CC(=O)N2)cc1 854211044 CXEUZYIMSHTWFV-SNVBAGLBSA-N 277.280 -0.590 50 20 CBGD CN1C(=O)CC[C@H]1CC(=O)NNC(=O)[C@@H]1CCCCO1 854682617 CRTQQIQKCWZEMW-UWVGGRQHSA-N 283.328 -0.286 50 20 CBGD CCO/C=C(\C#N)C(=O)N(CCN(C)C)CC(=O)N(C)C 855694876 BFUXTKKWPGNIFX-VAWYXSNFSA-N 296.371 -0.091 50 20 CBGD Cn1cc(N2C[C@@H](C(=O)NNC(=O)C3CC3)CC2=O)cn1 858121366 CYALIHDEXKNREY-VIFPVBQESA-N 291.311 -0.670 50 20 CBGD CCO[C@@H](CC)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862452411 KMDSZZZLIUWHLC-SFYZADRCSA-N 257.290 -0.773 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)C2=CCCCO2)N1 862457009 YICAOIPZJBUQPK-SSDOTTSWSA-N 253.258 -0.893 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cnc3n2CCCC3)N1 862457125 BDTFQFVVNKVDHP-QMMMGPOBSA-N 291.311 -0.741 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@H]2CO[C@H](C)C2)n[nH]1 869016410 KSFVGKDSONFKQU-BDAKNGLRSA-N 266.301 -0.167 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@H]2CO[C@@H](C)C2)n[nH]1 869016411 KSFVGKDSONFKQU-DTWKUNHWSA-N 266.301 -0.167 50 20 CBGD COCCOCC(=O)NNC(=O)C1(COC)CC1 869907256 GELFNPBVFAAPBZ-UHFFFAOYSA-N 260.290 -0.777 50 20 CBGD Cc1cc(C)nc(NNC(=O)CN2CCOC2=O)n1 873913215 PJARUEGQJRDCMW-UHFFFAOYSA-N 265.273 -0.011 50 20 CBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CC12CCC2 876426727 RDERGBCICQGTIM-SECBINFHSA-N 280.328 -0.118 50 20 CBGD C[C@]1(C(=O)N2C[C@H](O)[C@@H](CO)C2)C[C@H]1Br 909885334 UCTZJWQYTSWNKK-JIOCBJNQSA-N 278.146 -0.029 50 20 CBGD CCC(=O)N1CC[C@H](C(=O)NN(C)C[C@H](C)O)C1 910159741 CJBPBKRLVKWUNL-UWVGGRQHSA-N 257.334 -0.411 50 20 CBGD COc1ccccc1C(=O)NCC(=O)NN(C)C[C@H](C)O 910180565 MOBJBPGTCHHXCY-JTQLQIEISA-N 295.339 -0.231 50 20 CBGD CN1CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)[C@H](CO)C1 912737610 QKSIEUFSOHFLPP-XLVZXTRVSA-N 289.339 -0.538 50 20 CBGD NC(=O)C(=O)NN=Cc1c(Cl)nc2ccccn12 916273825 CCUXAYGMVIMAHA-UHFFFAOYSA-N 265.660 -0.077 50 20 CBGD Cc1cc(=NNC(=O)NC[C@H]2COCO2)cc[nH]1 923840714 LLIGPARFTCHDKS-JTQLQIEISA-N 252.274 -0.189 50 20 CBGD CS(=O)(=O)CCNC(=O)NNC(=O)C1CCC1 1116035975 SDEGGQKXLBKKMR-UHFFFAOYSA-N 263.319 -0.839 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)CC1OCCCO1 1116866689 AVILCSFHSXRHGN-UHFFFAOYSA-N 279.296 -0.075 50 20 CBGD CN1CCCC[C@@H]1CNC(=O)c1cc(B(O)O)ccc1F 1120726781 MDBAIPZRMNEJJL-LLVKDONJSA-N 294.135 -0.280 50 20 CBGD Cn1ccnc1CCC(=O)NNC(=O)C(C)(C)O 1123807590 AOQOVQLYXPMHDD-UHFFFAOYSA-N 254.290 -0.729 50 20 CBGD C#CCN1CCC(C(=O)NNC(=O)C(=O)NC(C)C)CC1 1251315869 DIILNWXAWOELFU-UHFFFAOYSA-N 294.355 -0.996 50 20 CBGD CC(C)NC(=S)NNC(=O)CCCn1cncn1 1262152713 CQDDEBQDOZRRHP-UHFFFAOYSA-N 270.362 -0.038 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1 1318671767 KZVSBKXLXBHFCF-JTQLQIEISA-N 294.359 -0.015 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](C)CCSC 1318883200 VNMAGKZWDROMCU-ZCFIWIBFSA-N 263.319 -0.369 50 20 CBGD COC(=O)NCCC(=O)NNc1nncc(N)c1Cl 1319217969 AYNFZXDPWUDEHB-UHFFFAOYSA-N 288.695 -0.099 50 20 CBGD O=C(NNC(=O)[C@@]1(F)CCOC1)c1ccncc1 1324022637 FRGDKKCZVDHFGH-LLVKDONJSA-N 253.233 -0.029 50 20 CBGD Cn1nncc1NNC(=O)[C@H]1CCc2nccn2C1 1329009988 XHHVQBRFBFNNON-QMMMGPOBSA-N 261.289 -0.283 50 20 CBGD C[C@@H](NC(=O)NNC(=O)CC(F)(F)F)c1nnnn1C 1346301420 AHGMOEUBVGJLJO-SCSAIBSYSA-N 295.225 -0.446 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCC[C@@H](F)C1 1349081882 LUNAJAZQMIOARU-RNFRBKRXSA-N 261.253 -0.230 50 20 CBGD O=C(CN1CCCCC1=O)NNC(=O)C1CCOCC1 1349787192 MJJTXDRCUWQTQU-UHFFFAOYSA-N 283.328 -0.427 50 20 CBGD CCOC1(C(=O)NNC(=O)c2cnn(C)c2)CCOCC1 1350573806 PVWQQYRGLQNSSH-UHFFFAOYSA-N 296.327 -0.233 50 20 CBGD Cc1nnc(NNC(=O)[C@@H]2CO[C@@H](CCC(=O)O)C2)n1C 1574436180 HHEFUWJTAXISRU-IUCAKERBSA-N 297.315 -0.163 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)NCCOCCCN)cn1 1579958523 FDCONOASGBXBCM-KPKJPENVSA-N 277.328 -0.191 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccc(-c2nn[nH]n2)n1C 1590742810 ZVYCDASBFMUBDZ-UHFFFAOYSA-N 292.303 -0.489 50 20 CBGD C[C@@H]1[C@@H](C(=O)O)CCN1CC(=O)NNC(=O)C(C)(C)C 1594165665 FIEHFFXHLDSQIV-BDAKNGLRSA-N 285.344 -0.025 50 20 CBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNc1nccn(C)c1=O 1594227296 ARPQINZKEJSFPS-KBUNVGBDSA-N 266.257 -0.666 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@H](CCC(=O)O)C(=O)OC 1596864784 WNVLFGFOWMTRTN-FCZSHJHJSA-N 284.268 -0.047 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O 1598196907 MWEMETJJNPGEGF-DTWKUNHWSA-N 271.317 -0.414 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CC[C@@H]2C(=O)O)CC1 1604220611 DKPGEVWGKWALHV-BDAKNGLRSA-N 284.316 -0.915 50 20 CBGD CCCCN(C)CCNC(=O)NNC(=O)C(=O)O 1605276348 UEUVHLVJJUKIIA-UHFFFAOYSA-N 260.294 -0.867 50 20 CBGD Cc1cc(C(=O)O)oc1C(=O)NNC(=O)c1cn(C)nn1 1607602742 CSROHHOZLZVIEO-UHFFFAOYSA-N 293.239 -0.510 50 20 CBGD Cc1oc(C(=O)O)cc1C(=O)NNC(=O)C(=O)NC1CC1 1608034040 NZEMROKJZZTJRW-UHFFFAOYSA-N 295.251 -0.674 50 20 CBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cc[nH]n2)C[C@@H](C)O1 111543507 JRUIIVOKUQWHOM-NXEZZACHSA-N 295.343 -0.330 50 20 CBGD Cn1cc(C(=O)NNC(=O)COCC2CC2)cn1 117681255 SYDHLRFPLUIMCF-UHFFFAOYSA-N 252.274 -0.392 50 20 CBGD CCN(CC)C(=O)CCC(=O)NNC(=O)CN(C)C 131029006 WDMBHCPZZJMUST-UHFFFAOYSA-N 272.349 -0.656 50 20 CBGD CC(C)Cn1cc(C(=O)NNC(=O)CN(C)C)cn1 180328665 WMQRQZCOERGJJH-UHFFFAOYSA-N 267.333 -0.138 50 20 CBGD CC[C@@H](COC)NC(=O)NNC(=O)C(=O)N1CCCC1 265753552 GPLQLIOVJIUASR-VIFPVBQESA-N 286.332 -0.636 50 20 CBGD CCCC(=O)N1CSC[C@H]1C(=O)NN(C)C(N)=O 271274487 JKXRDEYVNBMFBW-ZETCQYMHSA-N 274.346 -0.270 50 20 CBGD COCCN(C)NC(=O)c1ccccc1OCC(N)=O 288528812 WQIKTNRZHOGCSX-UHFFFAOYSA-N 281.312 -0.226 50 20 CBGD COC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)C2CCC2)O1 290716731 GZKPLSWCKUKJLJ-DTWKUNHWSA-N 270.285 -0.346 50 20 CBGD CCOC(=O)NNC(=O)c1ccn(CCOC)n1 492389680 DCGUSUDCBBHKME-UHFFFAOYSA-N 256.262 -0.080 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cccc2c1CCO2 497291986 GQJOOPBCNIVXFQ-UHFFFAOYSA-N 279.252 -0.053 50 20 CBGD C[C@@H](CCO)CNC(=O)c1cccc(B(O)O)c1 584959241 FDIAOFYOSNSETA-VIFPVBQESA-N 251.091 -0.885 50 20 CBGD C[C@H]1C[C@H](NC(=O)c2ccc(B(O)O)cc2)CCO1 584970081 SDLYUAYXUDRPOM-JOYOIKCWSA-N 263.102 -0.336 50 20 CBGD CN(C[C@@H]1CCCC[C@H]1O)C(=O)c1ccc(B(O)O)cc1 584972025 KZDMXOJYZSGCOW-GXTWGEPZSA-N 291.156 -0.011 50 20 CBGD C[C@H](NCc1cccc(B(O)O)c1)C(=O)N1CCCCC1 585020843 AOMCPBMGJAXNSK-LBPRGKRZSA-N 290.172 -0.143 50 20 CBGD C[C@](O)(CNCc1ccc(B(O)O)cc1)c1ccco1 585025768 CBGSWMSDXYHBCG-AWEZNQCLSA-N 275.113 -0.043 50 20 CBGD OC[C@@H](NCc1ccc(B(O)O)o1)c1ccco1 585026831 KSTWYSKEPKOMRK-SECBINFHSA-N 251.047 -0.624 50 20 CBGD CS(=O)(=O)CCCCCNCc1ccc(B(O)O)cc1 585036663 NSDXUMZJBIHCLR-UHFFFAOYSA-N 299.201 -0.329 50 20 CBGD COC[C@@H](NCc1cccc(B(O)O)c1)[C@@H]1CCCO1 585039102 OMQMCLOCOYGYJL-KGLIPLIRSA-N 279.145 -0.350 50 20 CBGD CC(C)(C)n1nnc(CNCc2cccc(B(O)O)c2)n1 585045379 HGNLKVVAGFPHNW-UHFFFAOYSA-N 289.148 -0.602 50 20 CBGD Cc1ccc(NNC(=O)NCCn2cncn2)nn1 730068003 ZJRJCWBXRSWDSU-UHFFFAOYSA-N 262.277 -0.297 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cccc(C(=O)O)n1 738826963 ANCHEVXCWQORMK-UHFFFAOYSA-N 289.251 -0.114 50 20 CBGD CC[C@@H](COC)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 739049693 RTSSHPGACQFWKN-ONGXEEELSA-N 293.389 -0.208 50 20 CBGD CCCNC(=O)NNS(=O)(=O)CCOC(C)C 749011514 MMIHECVZPMNEFB-UHFFFAOYSA-N 267.351 -0.045 50 20 CBGD COc1cccc(C(=O)NNC(=O)C(=O)N2CCCC2)n1 752520678 VROZFXABIXARKQ-UHFFFAOYSA-N 292.295 -0.526 50 20 CBGD CCOC(=O)c1ccc(C(=O)NNC(=O)CO)nc1C 753442262 CAPAJOZNHCGPGQ-UHFFFAOYSA-N 281.268 -0.680 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1cc(C)n(C)n1 757754298 QJZZWWVXPHKTHO-VIFPVBQESA-N 299.331 -0.067 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)[C@H]1CCCO1 783845446 GXOMHWVLBWEFFT-DTWKUNHWSA-N 277.346 -0.405 50 20 CBGD COC(=O)CNC(=O)NN=C1CC(=O)N2CCCC[C@@H]12 799485645 SKNYFQMBTMHLPW-VIFPVBQESA-N 282.300 -0.401 50 20 CBGD CCCC[C@H](C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 800690886 SGFDGYYLCOFNTI-IUCAKERBSA-N 293.389 -0.102 50 20 CBGD CC[C@@H](CS(=O)(=O)NNC(=O)[C@@H]1CCCCO1)OC 817353932 XTSASENBFMUFNL-UWVGGRQHSA-N 294.373 -0.069 50 20 CBGD C[C@@H](CC(=O)NNC(=O)C(=O)NC1CC1)n1cccn1 819029546 UMFZLWZWZOAJOZ-QMMMGPOBSA-N 279.300 -0.740 50 20 CBGD COC(=O)c1cnn(CC(=O)NN(C)[C@@H](C)CO)c1 823907027 FYPXSXCMKUCWOF-QMMMGPOBSA-N 270.289 -0.987 50 20 CBGD CN1CCN(C(=O)NNC(=O)CSC2CC2)CC1 830240972 ZXGGBKDJUSADLT-UHFFFAOYSA-N 272.374 -0.130 50 20 CBGD O=C(NCC1(C(=O)O)CCOCC1)NNC(=O)C1CCC1 831062659 NKFQRLKQPFMJHV-UHFFFAOYSA-N 299.327 -0.002 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCCO1 833241681 DMZFKASGRMATKY-MNOVXSKESA-N 285.344 -0.576 50 20 CBGD O=C(O)C1(CNS(=O)(=O)CCl)CCOCC1 843304613 NGTYNWJIKWYIBS-UHFFFAOYSA-N 271.722 -0.017 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@H]1CCOC1 843654106 ZDQNPQPELKENLM-AEJSXWLSSA-N 256.302 -0.015 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)c1cccn1C 854288014 SMMVMUDYQCDCQC-VIFPVBQESA-N 255.274 -0.553 50 20 CBGD CC1=NO[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2)C1 854377834 XDBXNYJQAXLKIA-SECBINFHSA-N 263.257 -0.179 50 20 CBGD COCCn1cc(C(=O)NNC(=O)c2cc[nH]n2)c(C)n1 855356635 OYQTVBANEFAUAY-UHFFFAOYSA-N 292.299 -0.364 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H](O)c2ccccc2)N1 862454327 FMAMRORBZYXLBF-KOLCDFICSA-N 277.280 -0.854 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)C(=O)OC(C)(C)C 862458848 FCYYZAVSDWUCFN-HTQZYQBOSA-N 299.327 -0.610 50 20 CBGD COC(=O)/C(C)=C\COc1ccc(B(O)O)cc1 863866581 WFKMXNXHMCNGTD-CLFYSBASSA-N 250.059 -0.136 50 20 CBGD CCNC(=O)NNC(=O)/C=C\CN1CCOCC1 865015914 PEGJKTUWHWSZTG-ARJAWSKDSA-N 256.306 -0.775 50 20 CBGD CCOCCOCCNCc1ccccc1B(O)O 897205471 XQRJKQXXRVKZHL-UHFFFAOYSA-N 267.134 -0.491 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21 906570755 IFZJQANIDAZIGS-OASPWFOLSA-N 273.292 -0.003 50 20 CBGD C=CCCn1cc(C(=O)NN(C)C[C@H](C)O)nn1 910146598 LGDOWBIQUAGTKP-VIFPVBQESA-N 253.306 -0.188 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H](C)N1CCSCC1 910160593 LHTJRUBNQKXSKA-VHSXEESVSA-N 261.391 -0.233 50 20 CBGD CCNC(=O)NNC(=O)[C@@H](CCSC)NC(=O)CC 920858155 ZXIBRRDQMYJXHI-MRVPVSSYSA-N 290.389 -0.015 50 20 CBGD CN1C(=O)CC[C@@H]1c1nc(-c2cccc(B(O)O)c2)no1 924145645 HKOZQWNOQAZATC-SNVBAGLBSA-N 287.084 -0.290 50 20 CBGD CCNC(=O)NNC(=O)CCCN1C(=O)CN(C)C1=O 1115897722 PMQDVHMYAIMKFP-UHFFFAOYSA-N 285.304 -0.989 50 20 CBGD COCC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1115982287 OHNFIARHATZQGT-UHFFFAOYSA-N 293.327 -0.513 50 20 CBGD CO[C@H](C(=O)NNc1nnc(C)c(O)n1)C1CC1 1116875547 JTNKJGZPRVCLRW-ZETCQYMHSA-N 253.262 -0.246 50 20 CBGD O=C(/C=C/[C@@H]1CCOC1)NNC(=O)[C@H]1CCC(=O)N1 1118884226 COANHOVXXHIDIE-XQTQNPGASA-N 267.285 -0.995 50 20 CBGD Cc1nc(O)nc(O)c1CC(=O)NN(C)C1CC1 1263844279 ABMFUHCEEZLEQJ-UHFFFAOYSA-N 252.274 -0.136 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCC[C@@H]1CCO 1320503717 HPGRXYRMPUDLMX-SFYZADRCSA-N 273.289 -0.959 50 20 CBGD CC(C)NC(=S)NNC(=O)c1ccnc2c1nnn2C 1322689008 JQXPKASFLVPUFY-UHFFFAOYSA-N 293.356 -0.119 50 20 CBGD Cc1csc2ncc(C(=O)NNC(=O)N(C)C)c(=O)n12 1324945962 PROMEZUKEAJOIS-UHFFFAOYSA-N 295.324 -0.020 50 20 CBGD CC1=NO[C@H](C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1 1328421988 JSYQQWIJUKTPQF-YIZRAAEISA-N 255.274 -0.276 50 20 CBGD Cc1ncsc1CCC(=O)NNC(=O)[C@H]1CCC(=O)N1 1329531543 UWUAKFJJFUQYMS-MRVPVSSYSA-N 296.352 -0.190 50 20 CBGD O=S(=O)(C[C@H]1CCCOC1)N1CC[C@H](B(O)O)C1 1331894746 GCVBJUHHOTWBOU-UWVGGRQHSA-N 277.151 -0.709 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccc(N2CCNC2=O)cc1 1343928372 UEGNUQPICSEPKL-UHFFFAOYSA-N 289.295 -0.458 50 20 CBGD Cn1nncc1NNC(=O)CN1CCSC1=O 1347710180 UTKYXPAUCKYUAK-UHFFFAOYSA-N 256.291 -0.573 50 20 CBGD Cc1nc[nH]c1C(=O)NNC(=O)[C@H]1CCCNC1 1579513802 XUFFGVHTLCZTPX-QMMMGPOBSA-N 251.290 -0.521 50 20 CBGD NCCCC(=O)NNC(=O)CCCn1cccn1 1580289626 VPCGTXICJURYAG-UHFFFAOYSA-N 253.306 -0.450 50 20 CBGD NCCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C1CC1 1580311279 NHIBSQKAKXIKCO-BDAKNGLRSA-N 256.306 -0.909 50 20 CBGD O=C(CC1(O)CCNCC1)NNC(=O)N=c1cc[nH]cc1 1580500237 BJYYLFOQIMZXGJ-UHFFFAOYSA-N 293.327 -0.839 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@]1(C(=O)O)CCCO1 1588925045 CRQPHXSVAOGGSR-JTQLQIEISA-N 259.262 -0.641 50 20 CBGD C[C@H](CNC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)C(=O)O 1589056305 NHGSNHHUDPSLJH-LURQLKTLSA-N 285.300 -0.395 50 20 CBGD Cn1c(C(=O)O)ccc1C(=O)NNC(=O)C(C)(C)O 1600903035 DRGQSZBFDLYBAL-UHFFFAOYSA-N 269.257 -0.745 50 20 CBGD O=C(O)CC1CC(=NNC(=O)[C@H]2CCC(=O)N2)C1 1608690751 YLELBQFYMSYYQV-QFSRMBNQSA-N 253.258 -0.378 50 20 CBGD O=C(NCc1ccc(F)c(F)c1)NNC(=O)C(=O)O 1610697524 OGYXUDCBXPHKQG-UHFFFAOYSA-N 273.195 -0.120 50 20 CBGD CC(=O)N1CCN([C@H](C)C(=O)NNC(=O)CC(C)C)CC1 109824529 OMWQMSKKOGIMKA-LLVKDONJSA-N 298.387 -0.268 50 20 CBGD C[C@@H](O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 270721758 ADQFTNFLMRIBSE-GMSGAONNSA-N 266.253 -0.645 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1cc(C(N)=O)ccc1F 274770731 MPNIFIYHGKOGTK-UHFFFAOYSA-N 297.290 -0.361 50 20 CBGD COC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ncnc2nc[nH]c12 288218375 ZLYUHMFOCNSZOP-BQBZGAKWSA-N 290.283 -0.005 50 20 CBGD COCCN(C)NC(=O)Cn1c(C)cc(O)cc1=O 288380821 IVPLSWLDNPDIJF-UHFFFAOYSA-N 269.301 -0.528 50 20 CBGD C=CCCO[C@@H](C)C(=O)NNC(=O)C(=O)NC(C)C 299316714 VNWCYHOBLSQOMF-VIFPVBQESA-N 271.317 -0.360 50 20 CBGD CC(=O)N[C@H](C(=O)Nc1cccc(B(O)O)c1)C(C)C 404930817 DDRWEPLBMYZVQO-LBPRGKRZSA-N 278.117 -0.534 50 20 CBGD CCO/C=C(/C#N)C(=O)N(CC#N)CC(=O)OC 490755488 VRPAPRZXTMMYKM-HJWRWDBZSA-N 251.242 -0.044 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)Nc1cccc(B(O)O)c1 584913386 VHSYMIVIPXKGHE-LLVKDONJSA-N 292.144 -0.727 50 20 CBGD CN(C(=O)c1ccc(B(O)O)c(F)c1)C1CCOCC1 584954335 HELFBRWORNTQNY-UHFFFAOYSA-N 281.092 -0.244 50 20 CBGD C[C@H](O)CCN(C)C(=O)c1cccc(B(O)O)c1 584958141 VSRGMDNJCWTGLS-VIFPVBQESA-N 251.091 -0.791 50 20 CBGD CC[C@H](C)[C@@H](CO)NC(=O)c1cccc(B(O)O)c1 584970274 VMCWPQFZZRFAAX-JOYOIKCWSA-N 265.118 -0.497 50 20 CBGD CC[C@@](NC(=O)c1cccc(B(O)O)c1)(C(N)=O)C(C)C 584973509 NYIFEBRFWFEXJX-AWEZNQCLSA-N 292.144 -0.614 50 20 CBGD O=C(N[C@H]1CCn2ccnc2C1)c1ccc(B(O)O)cc1 584975758 ZAJDYYIETWRGCI-LBPRGKRZSA-N 285.112 -0.692 50 20 CBGD CN1CCN(C(=O)c2cccc(B(O)O)c2)CC1(C)C 584985722 QELAZVYJOMULBA-UHFFFAOYSA-N 276.145 -0.467 50 20 CBGD COCC1(NC(=O)c2cc(B(O)O)ccc2F)CCC1 584995414 VNADQRXYQUNSLR-UHFFFAOYSA-N 281.092 -0.196 50 20 CBGD OB(O)c1ccc(CN[C@@H]2C[C@H]3OCCC[C@@H]23)o1 585036148 AQBXFIMTWLOFIE-HBNTYKKESA-N 251.091 -0.384 50 20 CBGD C[C@@H]1C[C@H](NCc2ccc(B(O)O)cc2F)c2ncnn21 585045998 PFOXTMMWNHNHLG-PELKAZGASA-N 290.107 -0.107 50 20 CBGD CCn1nc(C)c(CNCc2ccc(B(O)O)o2)n1 585047495 DLDORUFZRUBYAT-UHFFFAOYSA-N 264.094 -0.831 50 20 CBGD O=C(NCB(O)O)c1ccn(-c2ccc(F)cc2)n1 585063189 ZWMNMGVQCMGEBN-UHFFFAOYSA-N 263.037 -0.247 50 20 CBGD O=C(O)[C@H](C(=O)N1CC[C@H](B(O)O)C1)C1CCCC1 585068177 YESLAFVJCPBUAP-UWVGGRQHSA-N 269.106 -0.047 50 20 CBGD C[C@@H]1C[C@@H](N)CN1CC(=O)NNC(=O)c1cccs1 702652919 GKOBSCWYNCSHBR-RKDXNWHRSA-N 282.369 -0.069 50 20 CBGD CCCCNC(=O)NNS(=O)(=O)c1ccnn1C 727361685 HWTNYCTZUAAECJ-UHFFFAOYSA-N 275.334 -0.287 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)[C@H]1CCN(C)C1=O 738330643 HVNGLEMUJSDHQD-MNOVXSKESA-N 298.387 -0.269 50 20 CBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)CC(C)C 746112268 WBWACPVLPPYENZ-UHFFFAOYSA-N 293.389 -0.149 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H]1CCOC1 752155454 OTDWFRHRRRBGCO-MRVPVSSYSA-N 296.283 -0.871 50 20 CBGD CCOc1nc(C(=O)NNC(=O)CN(C)C)co1 776135596 UHBNODXHXORMRU-UHFFFAOYSA-N 256.262 -0.604 50 20 CBGD CCO[C@@H]1COCC[C@H]1N[C@H](C)C(=O)NNC(=O)CC 776488710 VEMURLRGOPTNTI-GMTAPVOTSA-N 287.360 -0.284 50 20 CBGD COc1ccc(NNC(=O)[C@H]2CCS(=O)(=O)C2)nc1 781525204 GAAHJXSHRBPNBS-QMMMGPOBSA-N 285.325 -0.032 50 20 CBGD C[C@@H]1C(=O)CC[C@H](C(=O)NNC(=O)CO)C1(C)C 781967210 AINFTFFKEMJMLM-HTQZYQBOSA-N 256.302 -0.233 50 20 CBGD CCC(=O)NNS(=O)(=O)c1ccc(C(N)=O)cc1 784063163 DDDXXETXRNMUEC-UHFFFAOYSA-N 271.298 -0.495 50 20 CBGD C[C@@H]1COC(=O)C1=NNC(=O)N1CCN(C)CC1 794940459 VQMFRWCNDFGXDE-MRVPVSSYSA-N 254.290 -0.508 50 20 CBGD CN(C)CC(=O)NNC(=O)c1coc(C2CCOCC2)n1 801612579 BQWGHLBLYOLNQV-UHFFFAOYSA-N 296.327 -0.109 50 20 CBGD NC(=O)CCCC(=O)NNC(=O)N=c1cc[nH]cc1 802029746 UMYVSRQCNWTPEU-UHFFFAOYSA-N 265.273 -0.688 50 20 CBGD CC(C)(O)CN1CCC(=NNC(=O)C(=O)NC2CC2)CC1 814217047 NZVKYADJYZNESB-UHFFFAOYSA-N 296.371 -0.396 50 20 CBGD O=C(CN1CCC2(CC1)OCCCO2)NNC(=O)C1CC1 815158365 KSZKYOULFLFDBJ-UHFFFAOYSA-N 297.355 -0.227 50 20 CBGD C=CCCn1cc(C(=O)NN(C)[C@H](C)CO)nn1 823912475 HFARODXRLXGRIQ-SECBINFHSA-N 253.306 -0.188 50 20 CBGD CCC(=O)N1CCC[C@H](C(=O)NN(C)[C@@H](C)CO)C1 823971495 VKULJFJZKWHMCJ-QWRGUYRKSA-N 271.361 -0.021 50 20 CBGD NCCCOC1CCN(CC(=O)NNC(=O)C2CC2)CC1 843356133 RGFRHECSLMWNRT-UHFFFAOYSA-N 298.387 -0.626 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1coc(C(N)=O)c1 843970627 IUPURZZKDIHNSO-POYBYMJQSA-N 281.268 -0.436 50 20 CBGD COCCCNC(=O)NNC(=O)/C=C(/C)COC 845297932 FVRBZBPSOPHVQS-CLFYSBASSA-N 259.306 -0.054 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@@H]1CCCN1C=O)C1CC1 855095288 KKLZBKYENHXJHY-SCZZXKLOSA-N 284.385 -0.099 50 20 CBGD CC1CCN(S(=O)(=O)NNC(=O)c2cn[nH]c2)CC1 863413847 MMJZZCRDRKFJGV-UHFFFAOYSA-N 287.345 -0.379 50 20 CBGD CN(C[C@@H](O)C1CC1)C(=O)c1cc(B(O)O)ccc1F 863876951 NQKVGUFHRSDXMF-GFCCVEGCSA-N 281.092 -0.652 50 20 CBGD CNC(=O)C[C@@H](C)NC(=O)NN=c1cc[nH]c(C)c1 875646050 BVWAGTFYVLXXQP-SECBINFHSA-N 265.317 -0.037 50 20 CBGD C[C@H](CBr)CN1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 878973201 OJLUATCJIIYPOI-CSMHCCOUSA-N 292.177 -0.464 50 20 CBGD OB(O)c1ccccc1CNCCO[C@H]1CCCCO1 894792746 DRYAEVGMHIMRBK-AWEZNQCLSA-N 279.145 -0.001 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CCCNC(=O)C1CC1 910171625 ZOEZTINRENLKMV-SECBINFHSA-N 257.334 -0.363 50 20 CBGD CC(=O)NNC(=O)c1ccccc1NS(C)(=O)=O 913173106 HWMYRWGNZMMNOZ-UHFFFAOYSA-N 271.298 -0.161 50 20 CBGD NNC(=O)CCNS(=O)(=O)c1ccccc1F 916665697 ZWPCOHLOZYYNBD-UHFFFAOYSA-N 261.278 -0.516 50 20 CBGD CN(C)C(=O)CCNC(=O)NNC(=O)CC(F)(F)F 918071698 YADQYLGQQHWMNK-UHFFFAOYSA-N 284.238 -0.253 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccc(O)nc1 920862880 AEQVJBPFOXWKJT-UHFFFAOYSA-N 268.273 -0.232 50 20 CBGD O=C(NCCO[C@H]1CCOC1)NNc1ncccn1 927514550 LKCUWCJJUAHMEF-VIFPVBQESA-N 267.289 -0.092 50 20 CBGD O=C(c1ccnc(-n2cccn2)c1)N1CC[C@H](B(O)O)C1 1118916640 QUSWOFVUVRYSHG-NSHDSACASA-N 286.100 -0.044 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1ccncc1 1254352211 NGHHZCKRGIDLIB-UHFFFAOYSA-N 264.285 -0.704 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)/C=C/C1CCOCC1 1318530809 LCXKVOBDVNBSEY-ONEGZZNKSA-N 283.328 -0.359 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1cccc2c1OCO2 1318942160 OIWPATFJZQLNSO-UHFFFAOYSA-N 295.251 -0.581 50 20 CBGD C=CCNC(=O)CNC(=O)NNc1nncc(N)c1Cl 1319970884 NVVACZWOSUEKPK-UHFFFAOYSA-N 299.722 -0.360 50 20 CBGD C[C@H](C(=O)NNc1ccc(-n2ccnc2)nn1)n1cncn1 1320948226 DOFMJVIMIMGPDV-SECBINFHSA-N 299.298 -0.042 50 20 CBGD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H](B(O)O)C1 1329214296 FEYBWSSGBGCKEJ-LURJTMIESA-N 253.023 -0.388 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)C[C@@H]1CC(=O)N1 1330836187 QSOTXWMDURLMOW-QMMMGPOBSA-N 293.279 -0.803 50 20 CBGD O=C(CNC(=O)NNC(=O)c1cn[nH]c1)NC1CCCC1 1334906698 BDCXCMCOJJOJBG-UHFFFAOYSA-N 294.315 -0.588 50 20 CBGD CS(=O)(=O)CCNC(=O)NNc1cccnn1 1340125165 GRUOQFWVHOZBIO-UHFFFAOYSA-N 259.291 -0.853 50 20 CBGD COC(=O)C(=O)NNC(=S)NC[C@H]1CCCCO1 1341193146 OMBQDWMXXCSKFZ-SSDOTTSWSA-N 275.330 -0.776 50 20 CBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccsc1 1343341592 UBJKLJYTTHVCIP-UHFFFAOYSA-N 271.254 -0.993 50 20 CBGD COC(=O)C1CN(C(=O)/C(C#N)=C\c2cnn(C)c2)C1 1514892811 USMVPYCGGRSMIE-KMKOMSMNSA-N 274.280 -0.042 50 20 CBGD C=CCCC[C@H](N)C(=O)NNC(=O)c1ccc(=O)n(C)c1 1574908846 XZJMQPXRRCTEER-NSHDSACASA-N 292.339 -0.170 50 20 CBGD C[C@@]1(C(=O)NNc2ccc(C#N)cn2)CNCCO1 1576349783 IIYAQJJGCPYDPB-LBPRGKRZSA-N 261.285 -0.225 50 20 CBGD O=C(NNC(=O)[C@@H]1NC[C@@H]2C[C@@H]21)[C@H]1C[C@H]2CC[C@H]1O2 1580735876 GKOUPLVUVBTYJQ-WYVINJBVSA-N 265.313 -0.691 50 20 CBGD COCCN(C)NC(=O)Nc1cccc(-c2nn[nH]n2)n1 1591420368 FXESTEUVMXWZLH-UHFFFAOYSA-N 292.303 -0.124 50 20 CBGD O=C(O)[C@@]12C[C@@H](NCc3ccc(B(O)O)cc3)C[C@@H]1C2 1602208049 RGMCRGRKPBTYIQ-OSMZGAPFSA-N 275.113 -0.291 50 20 CBGD Cn1nc(C(=O)O)cc1C(=O)NNC(=O)[C@@H]1CCCS1 1605538832 HVWQGOZNDJBSAU-QMMMGPOBSA-N 298.324 -0.225 50 20 CBGD O=C(O)c1cccc(NNC(=O)[C@@H]2CCS(=O)(=O)N2)c1 1608936040 VHCBLZHKVCNMMT-VIFPVBQESA-N 299.308 -0.480 50 20 CBGD CC#CCNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 134961031 VESCMZDWJNYDFQ-UHFFFAOYSA-N 299.294 -0.370 50 20 CBGD CC(C)CC(=O)NCCC(=O)NNC(=O)CN(C)C 175946295 PKXXDSWAAFMVFY-UHFFFAOYSA-N 272.349 -0.752 50 20 CBGD O=C(Cc1cncs1)NNC(=O)N1CCOCC1 187429125 AUBKBKJRPCZLBR-UHFFFAOYSA-N 270.314 -0.241 50 20 CBGD CC(C)CC(=O)NNC(=O)N[C@@H]1CC(=O)N(C)C1 267487161 ITRLONXWKKUTDA-MRVPVSSYSA-N 256.306 -0.406 50 20 CBGD Cn1cc(C(=O)NNC(=O)C2SCCS2)cn1 270549503 ZPFDVAZQQOFJHY-UHFFFAOYSA-N 272.355 -0.013 50 20 CBGD COc1cc(C)nc(NNC(=O)C[C@H](CN)OC)n1 278242398 LLKWSBOJJUIPOP-MRVPVSSYSA-N 269.305 -0.399 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cccnc2)CC1 278533719 DQRHIKXGUWGDEP-UHFFFAOYSA-N 263.301 -0.317 50 20 CBGD CNC(=O)NNC(=O)CN1C(=O)COc2ccccc21 298400385 WDJREFWFXRUGAL-UHFFFAOYSA-N 278.268 -0.628 50 20 CBGD CC[C@](C)(NS(=O)(=O)CBr)C(N)=O 308201593 VOHDUOJZUVPRIV-LURJTMIESA-N 273.152 -0.088 50 20 CBGD CC(CO)(CO)CNS(=O)(=O)CBr 393896480 LFBKIOJBVVMSTK-UHFFFAOYSA-N 276.152 -0.751 50 20 CBGD C[C@@H](O)C[C@@H](C)CNC(=O)c1ccc(B(O)O)c(F)c1 584952785 YSCZGFDULBQJCK-RKDXNWHRSA-N 283.108 -0.358 50 20 CBGD CN(C(=O)c1ccc(B(O)O)c(F)c1)C1(CO)CC1 584988836 GODXFVYNYOCAEM-UHFFFAOYSA-N 267.065 -0.898 50 20 CBGD CC[C@H](NC(=O)c1ccc(B(O)O)cc1)[C@H](C)O 584998157 NGXAHHLSEFLQRJ-KWQFWETISA-N 251.091 -0.744 50 20 CBGD O=C(N[C@@H]1CCCC(F)(F)[C@H]1O)c1cccc(B(O)O)c1 585002476 WOMCFGXOPUUKMU-MNOVXSKESA-N 299.082 -0.355 50 20 CBGD OB(O)c1cccc(CNCc2nnc3n2CCC3)c1 585018094 QAYTXKNYFUYKIU-UHFFFAOYSA-N 272.117 -0.806 50 20 CBGD OB(O)c1cccc(CNCCOC[C@H]2CCOC2)c1 585020046 MYBMYUZKORDQGA-ZDUSSCGKSA-N 279.145 -0.491 50 20 CBGD C[C@H](CNCc1cccc(B(O)O)c1)C[C@@H](C)O 585025341 RLKQOCGZMDPVGP-WDEREUQCSA-N 251.135 -0.137 50 20 CBGD CC(C)N1CC[C@H](NCc2ccc(B(O)O)o2)C1=O 585027837 DSWWKWOOOOEMAL-JTQLQIEISA-N 266.106 -0.942 50 20 CBGD COC1(CNCc2cccc(B(O)O)c2)CCOCC1 585029570 GXUKBTMIBHUAFB-UHFFFAOYSA-N 279.145 -0.348 50 20 CBGD CCCCN(C)S(=O)(=O)N1CC[C@H](B(O)O)C1 585057270 BBQSSOHMVAKPJA-VIFPVBQESA-N 264.156 -0.488 50 20 CBGD Cc1ccc(N2C[C@H](C(=O)NCB(O)O)CC2=O)cc1 585059015 XGYLYCGOQNXJGP-SNVBAGLBSA-N 276.101 -0.524 50 20 CBGD N[C@@](C(=O)NCB(O)O)(c1cccc(F)c1)C(F)(F)F 585073492 MALNXMBLQXBWSR-SECBINFHSA-N 294.013 -0.330 50 20 CBGD CC(C)C(=O)NNC(=O)CCN1C(=O)CCC1=O 726097967 RNYBZLMJYUKJMK-UHFFFAOYSA-N 255.274 -0.671 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)/C=C\c1cnn(C)c1 732084094 KTUOOXBQADZNOU-ARJAWSKDSA-N 274.284 -0.074 50 20 CBGD O=C(CCc1ccco1)NNC(=O)[C@@H]1CCC(=O)N1 732279304 IDKIQNUNSWKHKQ-VIFPVBQESA-N 265.269 -0.362 50 20 CBGD Cc1c(C(=O)NNC(=O)N2CCOCC2)cnn1C 745987650 CQVQECASLNGNBY-UHFFFAOYSA-N 267.289 -0.585 50 20 CBGD CN(C)C(=O)NNC(=O)Cc1ccc(-n2cnnn2)cc1 746005980 GRBBZKMMHUTFLH-UHFFFAOYSA-N 289.299 -0.493 50 20 CBGD COC(=O)c1ccc(C)c(NC(=O)NNC(=O)CO)c1 755426302 XVZXRFNIZNLYEI-UHFFFAOYSA-N 281.268 -0.073 50 20 CBGD COCC(=O)NN=Cc1cnc(N2CCN(C)CC2)nc1 755773116 QXSFETTVYXVIAQ-UHFFFAOYSA-N 292.343 -0.675 50 20 CBGD Cn1cccc1C(=O)NNc1ccc(C(N)=O)nn1 764565586 IGBZKXYKTCIFAJ-UHFFFAOYSA-N 260.257 -0.329 50 20 CBGD CSCC[C@@H](O)C(=O)NNC(=O)C(C)(C)O 768259250 GPTJSJZHSMNXTO-ZCFIWIBFSA-N 250.320 -0.981 50 20 CBGD CCCNC(=O)NN=C(C)c1cn(CC(=O)OC)nn1 772839814 GYBQNTITRMTHOG-UHFFFAOYSA-N 282.304 -0.116 50 20 CBGD COC[C@](C)(O)C(=O)NNc1cccc(OC)n1 781024590 BWFSMNXZHUPJBC-NSHDSACASA-N 255.274 -0.069 50 20 CBGD COC[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(N)=O 787476453 SFNOTKVTYPUZHK-XTOZHPGHSA-N 289.291 -0.084 50 20 CBGD NS(=O)(=O)c1ccccc1NNC(=O)[C@H]1CCCO1 788223087 FGAGEASWJYMUDR-SECBINFHSA-N 285.325 -0.044 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCO[C@@]2(CCO[C@H]2C)C1 791586399 DEBURWOADUTBPO-MJVIPROJSA-N 299.371 -0.188 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@](C)(C(N)=O)C1 796582799 YWHRMCIKRNDRAS-ZDUSSCGKSA-N 284.360 -0.623 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=CC1(C)COC1 814835464 RFDDKEYZQJDTKQ-ZETCQYMHSA-N 263.319 -0.937 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)c2c[nH]nc2C)c[nH]1 815506335 UHDOLFLEMWZQPK-UHFFFAOYSA-N 291.267 -0.092 50 20 CBGD CC[C@H](CS(=O)(=O)NNC(=O)N1CCOCC1)OC 817351098 QUEGCLMHEZPUPS-SECBINFHSA-N 295.361 -0.712 50 20 CBGD CN1C[C@H](C(=O)NNC(=O)C2CCOCC2)CC1=O 818384121 GPICLFUNGFZZJM-SECBINFHSA-N 269.301 -0.961 50 20 CBGD CCC[C@H](C(=O)NNC(=O)C(C)(C)C)S(N)(=O)=O 822244744 NPDYXHONRFOCPU-SSDOTTSWSA-N 279.362 -0.363 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@@H]1CCCc2nn[nH]c21 823804592 RHQZYULPZHDBBD-MRVPVSSYSA-N 278.316 -0.035 50 20 CBGD C#CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 823838846 VUGUXOQLDOAJPT-UHFFFAOYSA-N 263.648 -0.009 50 20 CBGD CN(NC(=O)Cc1nnn(C(C)(C)C)n1)C(N)=O 831518696 ALCXLWVXKHTSJA-UHFFFAOYSA-N 255.282 -0.988 50 20 CBGD CCOCCNC(=S)NNC(=O)[C@H]1CCO[C@H]1C 843278133 XDZQDEMOAFZFON-IUCAKERBSA-N 275.374 -0.057 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)C1 843774598 FVCORHVNRVJSFU-MRVPVSSYSA-N 257.290 -0.278 50 20 CBGD C[C@@H]1[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)CCN1C 843780499 MWNOTQHCIVWCCA-NXEZZACHSA-N 282.344 -0.904 50 20 CBGD O=C(C[C@H]1CNCCO1)NNC(=O)c1ccccc1 844203986 JIKDPOSWVDFUNV-NSHDSACASA-N 263.297 -0.174 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(OC)CC1 846980980 ZUDBWZWQGOCJLE-VIFPVBQESA-N 258.322 -0.889 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@H](O)C(C)C 854285497 MEKKKUJULQBXBM-SECBINFHSA-N 277.390 -0.123 50 20 CBGD CC(C)OCCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858104040 ZBFQTQSIUZACKP-SECBINFHSA-N 286.332 -0.590 50 20 CBGD CC[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 858695162 DLPAYIBGZMVGHO-BDAKNGLRSA-N 284.316 -0.883 50 20 CBGD Cc1cc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)nn1C 860807809 MUBDJYKHZNUUFD-ZETCQYMHSA-N 280.288 -0.840 50 20 CBGD CON(C)C(=O)CCC(C)=NNC(=O)[C@@H]1CCC(=O)N1 863151904 XLKRZRNPEHWZGZ-VIFPVBQESA-N 284.316 -0.443 50 20 CBGD COC(=O)[C@]1(C)CCCN1C(=O)c1ccc(B(O)O)cc1 863879423 SIYMPJNVRFNPHK-AWEZNQCLSA-N 291.112 -0.466 50 20 CBGD COCCOCC(=O)NNC(=O)Cn1ccc(C)n1 869904186 RRZYSWFNRDRGJL-UHFFFAOYSA-N 270.289 -0.998 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccc2cncn2c1 869904626 CVDNYEIODYZOKX-UHFFFAOYSA-N 292.295 -0.242 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@H]2CNCCN2C)n1 911884358 XQRPZAVBHQWFCH-SNVBAGLBSA-N 264.333 -0.560 50 20 CBGD C[C@H](C(=O)NNC(=O)CN1CCCC1=O)C1CC1 913731765 VIULVDRIJXZTRX-QMMMGPOBSA-N 253.302 -0.198 50 20 CBGD CC(=O)N[C@H](C(=O)N1CC[C@H](B(O)O)C1)C(C)C 1118916231 MXOCGPZXBSJULQ-UWVGGRQHSA-N 256.111 -0.778 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@]1(F)CCOC1 1261219608 LCOGMGAPRHBDEO-NSHDSACASA-N 268.248 -0.215 50 20 CBGD Cn1cnnc1COCC(=O)NNC(=O)NCC1CC1 1261237038 FNACBXSLSXSEGY-UHFFFAOYSA-N 282.304 -0.928 50 20 CBGD COC(=O)CNC(=O)NNC(=S)NCc1ccon1 1320041602 QZPKBSBQKSHNJP-UHFFFAOYSA-N 287.301 -0.974 50 20 CBGD O=C(CN(CCO)C1CCOCC1)NNC(=O)C1CC1 1320659437 ZBLHNVYEHVFIKL-UHFFFAOYSA-N 285.344 -0.983 50 20 CBGD O=C(CO[C@@H]1CCOC1)NNc1nc2ccccn2n1 1320712508 XSIAAZACGNRYCW-SECBINFHSA-N 277.284 -0.022 50 20 CBGD C[C@H]1CCN(CC(=O)NNC(=O)C2CC2)CC[S@]1=O 1320759144 BXZHPQCKHPUGST-ZRNGKTOUSA-N 287.385 -0.613 50 20 CBGD CCC[C@H](CCCS(C)(=O)=O)C(=O)NNC(=O)CO 1320991001 RUOSBEAIZVRDPI-SECBINFHSA-N 294.373 -0.633 50 20 CBGD O=C1CC[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)N1 1322607788 GLYSHNWPPAHCCW-MRVPVSSYSA-N 287.283 -0.616 50 20 CBGD O=C(CCO)NNC(=O)C(=O)Nc1cccnc1Cl 1323943791 LXDGBSAXTFJLDQ-UHFFFAOYSA-N 286.675 -0.797 50 20 CBGD Cn1nncc1NNC(=O)c1ccc2nn[nH]c2c1 1324292087 UTXYTIMUKRZWMO-UHFFFAOYSA-N 258.245 -0.157 50 20 CBGD CC(=O)N[C@H](C)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1327707306 DOXKXKICDZEFMK-PSASIEDQSA-N 291.373 -0.997 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@H]1CC(=O)N(CC)C1 1329636967 QMESPTAXIMXCAC-SECBINFHSA-N 286.332 -0.778 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCc2ncncc2C1 1329807415 RJHBCYACZSIGJB-UWVGGRQHSA-N 264.329 -0.075 50 20 CBGD O=C(NCC1CCOCC1)NNC(=O)c1cn[nH]c1 1331299009 ZBDBNWGKQPQXNY-UHFFFAOYSA-N 267.289 -0.220 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H]1CCC(=O)N1C 1333771664 WCEBKKMXSFDUNX-SSDOTTSWSA-N 258.347 -0.489 50 20 CBGD CCOCCNC(=S)NNC(=O)c1cccnn1 1339318998 IPXNJWZJYLOBJG-UHFFFAOYSA-N 269.330 -0.378 50 20 CBGD CCCC[C@H](COC)NC(=O)NNC(=O)C(=O)OC 1339819140 RKUVVJBKGNDDFP-MRVPVSSYSA-N 275.305 -0.305 50 20 CBGD CN(CC1CCC1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1343100006 RDISLINAAFHDBP-SECBINFHSA-N 268.317 -0.262 50 20 CBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cc(C)ccc1F 1343341078 PJESKGFJMBCWLU-UHFFFAOYSA-N 297.242 -0.607 50 20 CBGD CN1CCC(NC(=S)NNC(=O)c2cn[nH]c2)CC1 1351652123 UHWKFXGWAIXPLT-UHFFFAOYSA-N 282.373 -0.387 50 20 CBGD C[C@@H](NNC(=O)[C@H](N)CCC(N)=O)C(F)(F)F 1573579818 WEUOWZKAZIQIJZ-RFZPGFLSSA-N 256.228 -0.849 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCCC(=O)O 1589415449 IDQOBCKEZBIXQJ-IUCAKERBSA-N 287.316 -0.003 50 20 CBGD C[C@](NC(=O)c1cc(B(O)O)ccc1F)(C(=O)O)C1CC1 1593145750 HOYXDZXQQPYRDG-CYBMUJFWSA-N 295.075 -0.511 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CCc1ocnc1C(=O)O 1593457068 PKSNDYBEKLRSBC-SSDOTTSWSA-N 271.273 -0.351 50 20 CBGD O=C(O)CCC(=O)NNC(=O)Cc1cccnc1 1594996842 OISHCLYFORIFSO-UHFFFAOYSA-N 251.242 -0.364 50 20 CBGD COC[C@@H](CNC(=O)NNC(=O)C(=O)O)C(C)C 1599166259 MLYJLMOMAYNZMY-SSDOTTSWSA-N 261.278 -0.680 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1C(=O)O 1603052922 YRCKRZYWBVPQBF-UHFFFAOYSA-N 283.215 -0.370 50 20 CBGD C[C@H](CC(=O)O)C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1604095229 RTCMAGANBHTOPA-FNCVBFRFSA-N 270.285 -0.188 50 20 CBGD Cc1noc(C)c1C[C@@H](C)NC(=O)NNC(=O)C(=O)O 1608023708 WRJZWTPXXBZXFA-RXMQYKEDSA-N 284.272 -0.363 50 20 CBGD CCOC(=O)NNC(=O)CCN1C(=O)CCC1=O 61476061 NZTQDMAMPUFFKC-UHFFFAOYSA-N 257.246 -0.697 50 20 CBGD C[C@H](CN1CCN(C)CC1)NC(=O)NNC(=O)C(C)(C)C 106583207 JDFABJNQPACOBY-LLVKDONJSA-N 299.419 -0.001 50 20 CBGD O=C(NNc1nccnc1Cl)[C@H]1COCCO1 172287386 JHHVYXUEZWKBLW-ZCFIWIBFSA-N 258.665 -0.012 50 20 CBGD O=C(CO)NNC(=O)c1n[nH]c2c1CCCCC2 188166344 CBHGHDQZVLIGQL-UHFFFAOYSA-N 252.274 -0.568 50 20 CBGD Cc1cc(C(=O)NNC(=O)CN2CCSC2=O)[nH]n1 268847627 PYUUQBYQQGLKQY-UHFFFAOYSA-N 283.313 -0.352 50 20 CBGD Cc1cccc(C(=O)NNC(=O)C(C)(C)S(C)(=O)=O)n1 279782902 JBETXHYVNPQMMQ-UHFFFAOYSA-N 299.352 -0.026 50 20 CBGD CCN1CCC[C@H]1CN1C[C@@H](C(=O)NN)CC1=O 361739260 OJSYWVOATUFRER-UWVGGRQHSA-N 254.334 -0.691 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1CCc2nn[nH]c2C1 584914394 WORUEDSSYNPLOH-QMMMGPOBSA-N 286.100 -0.772 50 20 CBGD CCN(C[C@H]1CCOC1)C(=O)c1ccc(B(O)O)cc1 584933231 FPZLVQLEYQKOLE-LLVKDONJSA-N 277.129 -0.135 50 20 CBGD CC1(C)CN(C(=O)c2ccc(B(O)O)cc2)CCN1 584956690 GIWRXTFUASGZLO-UHFFFAOYSA-N 262.118 -0.810 50 20 CBGD C[C@]1(CO)CCC[C@@H]1NC(=O)c1ccc(B(O)O)cc1 584963247 WSAVJSFLTUOSNI-GXTWGEPZSA-N 277.129 -0.353 50 20 CBGD O=C(N[C@@H](CCO)C1CC1)c1cccc(B(O)O)c1 584963807 YIRWTFMGVFKOOV-LBPRGKRZSA-N 263.102 -0.743 50 20 CBGD COC[C@H](NC(=O)c1ccc(B(O)O)cc1)[C@@H]1CCCO1 584983443 ODNBOHXYGDWOGN-STQMWFEESA-N 293.128 -0.710 50 20 CBGD CC(C)[C@H](CO)CNC(=O)c1cc(B(O)O)ccc1F 584990158 PYQIGISHZUEROM-VIFPVBQESA-N 283.108 -0.500 50 20 CBGD N#CC1(CNC(=O)c2ccc(B(O)O)cc2)CCC1 585001258 USLXVRKHUWWDJG-UHFFFAOYSA-N 258.086 -0.210 50 20 CBGD C[C@H]1NC(=O)CC[C@H]1CNC(=O)c1ccc(B(O)O)cc1 585002494 XBMAEBIZGSICGX-KOLCDFICSA-N 290.128 -0.989 50 20 CBGD C[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C[C@@H]1CO 585010626 NXSODKSKNJIPLS-ZYHUDNBSSA-N 277.129 -0.543 50 20 CBGD C[C@H](C[S@](C)=O)N(C)Cc1ccc(B(O)O)o1 585034335 HYWCHKXPNFAITF-RBHXEPJQSA-N 259.136 -0.842 50 20 CBGD CC(=O)Nc1ccc(C)c(S(=O)(=O)NCB(O)O)c1 585055140 YGMKIKQMIOCKFA-UHFFFAOYSA-N 286.118 -0.756 50 20 CBGD COc1ccc(F)cc1S(=O)(=O)NCB(O)O 585057153 NONWVWJKXMGRTB-UHFFFAOYSA-N 263.055 -0.875 50 20 CBGD CCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)[C@H]1CCOC1 741841883 GNAXECNHFCCDEA-IUCAKERBSA-N 291.373 -0.157 50 20 CBGD CC(=NNC(=O)Cc1cc(O)nc(O)n1)[C@@H]1CCOC1 743446160 OZOUNLGMTZIRCP-MRVPVSSYSA-N 280.284 -0.041 50 20 CBGD CNC(=O)C1(C(=O)NNc2ncnc3[nH]cnc23)CCC1 743473488 QHXNLXUYGNWCQS-UHFFFAOYSA-N 289.299 -0.288 50 20 CBGD Cn1nccc1C(=O)NNC(=O)N1CCOCC1 749600731 XUJWBJOIJDWXPQ-UHFFFAOYSA-N 253.262 -0.893 50 20 CBGD C[C@@H](C(=O)NNC(=O)NC1CC1)N1CCSCC1 750855735 DIUJIMLDGUPIDF-QMMMGPOBSA-N 272.374 -0.084 50 20 CBGD COCCO[C@H](C)C(=O)NN=Cc1cncn1C 755760002 HGJZXYQYKHRJQI-SECBINFHSA-N 254.290 -0.078 50 20 CBGD O=C(N=c1cc[nH]cc1F)NNC(=O)c1cnccn1 759997023 LCEBKYXRXMFTPY-UHFFFAOYSA-N 276.231 -0.101 50 20 CBGD CCNC(=O)NNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 770893345 NTNARJNGKKHATN-ZETCQYMHSA-N 294.377 -0.699 50 20 CBGD CO[C@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)C(C)C 771407889 PIDXXRSKAZUEND-JTQLQIEISA-N 294.311 -0.162 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H](C)OC 772065436 RLYXIYZNJXXNNL-YUMQZZPRSA-N 260.290 -0.100 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c[nH]cc(C)c1=O 772266075 WVEFYIVLFPEGCE-MRVPVSSYSA-N 295.295 -0.214 50 20 CBGD CN1CCN(CC(=O)N2CC=C(C#N)CC2)CC1=O 780976342 QERWWCQZGUDGQD-UHFFFAOYSA-N 262.313 -0.557 50 20 CBGD COCCO[C@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 781961229 AWTXQIIIMBUAEN-NSHDSACASA-N 285.344 -0.719 50 20 CBGD Cn1nccc1COCC(=O)NNC(=O)c1ccc[nH]1 785722705 ITHPHSCBUAPWIM-UHFFFAOYSA-N 277.284 -0.274 50 20 CBGD NC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)NC2CC2)C1 786827489 OJNIEIFMCPMEJA-SFYZADRCSA-N 268.317 -0.229 50 20 CBGD COc1ncnc(N)c1C=NNC(=O)N1CCN(C)CC1 790178582 CZXUGFPEOGDLBJ-UHFFFAOYSA-N 293.331 -0.642 50 20 CBGD CC(C)(O)CC(=O)NNC(=O)N=c1cc[nH]cc1 802024043 FIXMQYWNNBLMNB-UHFFFAOYSA-N 252.274 -0.183 50 20 CBGD CC(C)(C)C(=O)NCC(=O)NNC(=O)N=c1cc[nH]cc1 802027163 VIHMBSOHKSFFKJ-UHFFFAOYSA-N 293.327 -0.182 50 20 CBGD O=C(COC1CCOCC1)NNC(=O)N=c1cc[nH]cc1 802034260 GOPSDEUTQGITNJ-UHFFFAOYSA-N 294.311 -0.148 50 20 CBGD O=C(CCNC(=O)c1ccco1)NNc1nc[nH]n1 816631126 GXKZGPIEJOGLQM-UHFFFAOYSA-N 264.245 -0.339 50 20 CBGD CCCS(=O)(=O)CC(=O)NN(C)[C@@H](C)CO 823965350 LSOAHOTWWFKTDX-QMMMGPOBSA-N 252.336 -0.845 50 20 CBGD C[C@@H](N)[C@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 843354309 YBGFXESLRMPUCL-KOLCDFICSA-N 268.361 -0.397 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@]2(CCNC2)C1 843367755 JZIZCSRUMFKJID-GXFFZTMASA-N 268.361 -0.382 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 843660772 MBDYCXABLLIIBJ-LXGUWJNJSA-N 257.246 -0.776 50 20 CBGD CCONC(=O)CNC(=O)NNc1nc(C)cc(OC)n1 845543420 IDDDWVMVDBYJLP-UHFFFAOYSA-N 298.303 -0.513 50 20 CBGD CCn1ccc(CC(=O)NNC(=O)N2CCN(C)CC2)n1 846639496 PIRXLOMYGYESTR-UHFFFAOYSA-N 294.359 -0.566 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)[C@H]1CCNC1=O 854246793 ORXYONWXOOINCP-JTQLQIEISA-N 261.281 -0.108 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CCN(C)C(=O)C1 854926598 FDPIYBJTUHXWHJ-ZETCQYMHSA-N 258.347 -0.678 50 20 CBGD C=CC(=O)NCCC(=O)NNC(=O)CC(F)(F)F 855001261 XMVDGLIBXYFKSF-UHFFFAOYSA-N 267.207 -0.222 50 20 CBGD C[C@@H](CC(N)=O)C(=O)NNC(=S)N[C@@H](C)C1CC1 855097114 JNUSDBNAROQTBN-BQBZGAKWSA-N 272.374 -0.208 50 20 CBGD C=CC[C@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858230401 XPDDEMRGJZJNFH-JGVFFNPUSA-N 254.290 -0.440 50 20 CBGD C=C(C)CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858512812 DHLXHKYAXODYFG-MRVPVSSYSA-N 254.290 -0.438 50 20 CBGD CCO[C@H]1C[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)C1 858533879 XUKVRLVBBGPNGN-DTORHVGOSA-N 267.289 -0.079 50 20 CBGD CC(C)(C)c1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862462761 RMUPXZQZHYFGIB-QMMMGPOBSA-N 293.327 -0.253 50 20 CBGD Cc1ccc(F)c(C(=O)NNC(=O)CS(C)(=O)=O)c1 863460695 ITRCXIAYKVURCB-UHFFFAOYSA-N 288.300 -0.060 50 20 CBGD CN(NC(=O)c1ccc(B(O)O)cc1)C(=O)OC(C)(C)C 863884640 BNTNBDHWOZYMRS-UHFFFAOYSA-N 294.116 -0.122 50 20 CBGD C#CC[C@H](NCc1ccc(B(O)O)cc1)C(=O)OC 863890145 NFBJLIDKBMKEDY-LBPRGKRZSA-N 261.086 -0.979 50 20 CBGD O=C(NNC(=O)[C@H]1CCCNC1=O)C1CCCC1 864845464 VQKBEJVFCIXCIZ-VIFPVBQESA-N 253.302 -0.150 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@H](C)SC 869907544 AIFMKIHDAPUWOM-QMMMGPOBSA-N 264.347 -0.062 50 20 CBGD CCN(CC(=O)NNC(=O)COCCOC)C1CC1 869908046 IQGGLUPZWXHSLW-UHFFFAOYSA-N 273.333 -0.719 50 20 CBGD COc1cncc(NC(=O)NNC(=O)CN(C)C)c1 880553003 JBXWUHWZIDXMLG-UHFFFAOYSA-N 267.289 -0.196 50 20 CBGD CN1C(=O)CCC[C@@H]1C(=O)NNC(=O)c1ccccn1 905018579 RZIJEUOFMOPIFK-SNVBAGLBSA-N 276.296 -0.147 50 20 CBGD COc1cccnc1CC(=O)NN(C)C[C@@H](C)O 910150110 NJHLKRMSPSICAE-SECBINFHSA-N 253.302 -0.024 50 20 CBGD Cc1nn(C)c(C)c1OCC(=O)NN(C)C[C@@H](C)O 910165424 IOOJZLZDEFMJEY-MRVPVSSYSA-N 270.333 -0.240 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CCN(C)C[C@H]1CO 912740688 AWDWCIRBFDMIPV-JUDLJHIGSA-N 253.302 -0.435 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H](C)CN1CCOCC1 915879445 VGSPUUXULVAVJS-JTQLQIEISA-N 272.349 -0.305 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@@H](C)S(C)(=O)=O)n1 916160026 AFIBNZVFRIOAMJ-MRVPVSSYSA-N 272.330 -0.030 50 20 CBGD Cn1cc(C(=O)NNc2ccccn2)c(=O)n(C)c1=O 1116496658 OBUTVHIIWHAEQP-UHFFFAOYSA-N 275.268 -0.764 50 20 CBGD Cc1onc(CC(=O)NNC(=O)N(C)C)c1C#N 1116502269 PFUINNRQOZEPJR-UHFFFAOYSA-N 251.246 -0.300 50 20 CBGD C=CCCn1cc(C(=O)N2CC[C@@H](B(O)O)C2)nn1 1118973483 ANPPVCKGDABZMJ-SECBINFHSA-N 264.094 -0.457 50 20 CBGD CN(NC(=O)c1cccc(OCC(N)=O)c1)C(N)=O 1254287207 BHQUGPGMSJDUOD-UHFFFAOYSA-N 266.257 -0.794 50 20 CBGD CN(C)C(=O)NNC(=O)c1cnn2c1NCCC2 1263722386 UECYCRWXRSLZSK-UHFFFAOYSA-N 252.278 -0.385 50 20 CBGD C[C@@]1(NNC(=O)NCc2cc[nH]n2)CCS(=O)(=O)C1 1317870756 FAHGCNOFXLMAJU-SNVBAGLBSA-N 287.345 -0.709 50 20 CBGD Cc1nc(O)c(C#N)c(C)c1CCC(=O)NNC(=O)CO 1319872123 UJYQPRIJEXTSRI-UHFFFAOYSA-N 292.295 -0.652 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2CO[C@@H](C)C2)nc1O 1321656335 NOJQBIGURKAZSH-CAHLUQPWSA-N 253.262 -0.246 50 20 CBGD COCc1nocc1C(=O)NNC(=O)C(C)(C)O 1324100259 LPEFECNTRWUTSY-UHFFFAOYSA-N 257.246 -0.647 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CCCS(=O)(=O)C1 1326752994 PQOQEPGNEUYRMN-SSDOTTSWSA-N 263.319 -0.839 50 20 CBGD O=C(NC[C@@H]1CCCO1)NNC(=O)c1ncccn1 1328424670 PNCRMKXKYLGUJF-QMMMGPOBSA-N 265.273 -0.400 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1ccncc1)[C@H]1CCC(=O)N1 1328688698 DGGABGORWFYGOI-PSASIEDQSA-N 276.296 -0.243 50 20 CBGD NC(=O)COc1ccccc1C(=O)N1CC[C@H](B(O)O)C1 1331828387 XIXKXUDLSZUAON-VIFPVBQESA-N 292.100 -0.760 50 20 CBGD CO[C@@]1(C(=O)NNC(=O)c2cccnn2)CCSC1 1332169812 DZLWBMCMYGZHOE-NSHDSACASA-N 282.325 -0.240 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCC2(C#N)CC2)cn1 1339732271 FTGBDMJFIDTRBR-UHFFFAOYSA-N 262.273 -0.332 50 20 CBGD C[C@@H](O)CN(C)NC(=O)Cc1nc2ncccn2n1 1350777972 GXXPKZJFEWMAEI-MRVPVSSYSA-N 264.289 -0.989 50 20 CBGD C[C@@H](N)CC(=O)NNC(=O)c1n[nH]c2c1CCCC2 1579401015 GMMGYEJKATXBTC-SSDOTTSWSA-N 265.317 -0.213 50 20 CBGD Cc1cc(CC(=O)NNC(=O)CC2(N)CC2)n[nH]1 1579589913 RBWSUWGBGQFJDL-UHFFFAOYSA-N 251.290 -0.711 50 20 CBGD Cn1ncc(N)c1CCC(=O)NNC(=O)c1cccnc1 1580006965 WRACYDRJFLQDOS-UHFFFAOYSA-N 288.311 -0.209 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@H]1NCC12CCOCC2 1580642496 RGPITMGDQWIULE-SNVBAGLBSA-N 282.344 -0.505 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@]1(C(=O)O)CC1(C)C 1588796246 XTEVGCOEDJHMDA-NSHDSACASA-N 258.274 -0.594 50 20 CBGD O=C(NN=C1C[C@H]2C[C@H](C(=O)O)[C@H]1C2)C(=O)NC1CC1 1601552113 LCNTZVWBHDJEKG-VDAHYXPESA-N 279.296 -0.132 50 20 CBGD O=C(NC[C@@H]1CCN1C1CCCCC1)NNC(=O)C(=O)O 1608434441 JNTROQYLZSGARP-JTQLQIEISA-N 298.343 -0.192 50 20 CBGD COCC(=O)NNC(=O)Nc1cc(C(=O)O)n(C)c1 1610242256 WDMNNDJYSLGKAN-UHFFFAOYSA-N 270.245 -0.478 50 20 CBGD Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NNC(=O)C(=O)O 1610569487 YIAWJNPPTZFHQN-LURJTMIESA-N 297.315 -0.617 50 20 CBGD O=C(COc1ccccc1)NNC(=O)C(=O)NC1CC1 9889618 WXDNLMZUPZJYET-UHFFFAOYSA-N 277.280 -0.509 50 20 CBGD CC1(C)NC(=O)N(CCCC(=O)NNC(=O)C2CC2)C1=O 26968836 BVNNNHCHKICYFW-UHFFFAOYSA-N 296.327 -0.346 50 20 CBGD COC(=O)CN(C)CC(=O)NNC(=O)c1cccs1 48695595 HKDQVDKAVFHKKG-UHFFFAOYSA-N 285.325 -0.386 50 20 CBGD O=C(Cn1cc(C(=O)O)nn1)NNC(=O)c1ccccc1 50213396 RDCSUHGKPMHOGN-UHFFFAOYSA-N 289.251 -0.563 50 20 CBGD O=C(CCc1ccccc1)NNC(=O)Cn1cnnn1 132650740 YBROFQKIOFZDSD-UHFFFAOYSA-N 274.284 -0.547 50 20 CBGD CCNS(=O)(=O)c1ccc(F)c(C(=O)NN)c1 194076219 FYRYPPVUGZTPLE-UHFFFAOYSA-N 261.278 -0.273 50 20 CBGD O=C(CCC(=O)N1CCOCC1)NNC(=O)c1ccc[nH]1 263758748 GZOZIBDSZVWRAI-UHFFFAOYSA-N 294.311 -0.585 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)CN1CCCC1=O 265787856 ARYUILKCCARWRU-UHFFFAOYSA-N 298.343 -0.939 50 20 CBGD Cc1cc(O)cc(=O)n1CCC(=O)NN(C)C(N)=O 276324498 XBVWGWZPVUVDNT-UHFFFAOYSA-N 268.273 -0.706 50 20 CBGD C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNc1ccc(C(N)=O)nn1 282092946 DCTHJCRKIRJPSM-NYNCVSEMSA-N 279.300 -0.168 50 20 CBGD CC(=O)NC(C)(C)C(=O)Nc1cccc(B(O)O)c1 584911831 ZGQZRDRPPJKBRK-UHFFFAOYSA-N 264.090 -0.780 50 20 CBGD COCCCN(C)CCNC(=O)c1cccc(B(O)O)c1 584952040 RRHAIDYGLJTNCM-UHFFFAOYSA-N 294.160 -0.936 50 20 CBGD CC[C@@H](CCO)NC(=O)c1ccc(B(O)O)c(F)c1 584963872 ZJTWKWYZXGFASL-VIFPVBQESA-N 269.081 -0.604 50 20 CBGD C[C@@H]1[C@@H](C)N(C(=O)c2ccc(B(O)O)cc2)CCN1C 584970951 WCOFCADNIQMUAF-GHMZBOCLSA-N 276.145 -0.469 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@H]1CCO 584999559 WOCLMIPVNLNBOY-JTQLQIEISA-N 281.092 -0.508 50 20 CBGD CN1CCC[C@H](CNCc2ccccc2B(O)O)C1 585023706 LESGRJSEVHXKRR-GFCCVEGCSA-N 262.162 -0.202 50 20 CBGD CNC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(B(O)O)cc1 585030656 WXKGRKDJOCTEDW-KGLIPLIRSA-N 290.172 -0.239 50 20 CBGD CC(=O)N1CC[C@@H](NCc2ccccc2B(O)O)C1 585031018 OKERHQBOFUWWGS-GFCCVEGCSA-N 262.118 -0.923 50 20 CBGD OB(O)c1ccc(CN[C@H]2CC[C@H](O)CC2)c(F)c1 585031371 DYZSDRRJPLZGET-HAQNSBGRSA-N 267.109 -0.101 50 20 CBGD CO[C@@]1(CNCc2ccc(B(O)O)cc2F)CCOC1 585037100 VLVPJTXQZQZCBY-CYBMUJFWSA-N 283.108 -0.599 50 20 CBGD CC[C@H](C)[C@H](NCc1ccc(B(O)O)cc1)C(=O)N(C)C 585038859 LTYHIWWWIFTJKV-FZMZJTMJSA-N 292.188 -0.041 50 20 CBGD CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCB(O)O 585054032 GGFSFWJNSAVCIM-PWSUYJOCSA-N 292.144 -0.041 50 20 CBGD COCCN1C[C@@H](C(=O)NNc2cc(C)ncn2)CC1=O 734254638 TVYMAJJSNSNMGX-JTQLQIEISA-N 293.327 -0.277 50 20 CBGD O=C(NNS(=O)(=O)N1CCCCC1)N1CCOCC1 742028651 YSKVKJGEXOHPCE-UHFFFAOYSA-N 292.361 -0.737 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)c1ccc2nnnn2c1 758260973 KZXUIGNBPJJGGS-UHFFFAOYSA-N 297.278 -0.477 50 20 CBGD COc1ccc(C(=O)NNC(=O)CO)nc1Cl 768728155 BZPGUNCHUXOUAW-UHFFFAOYSA-N 259.649 -0.503 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(C(N)=O)CCC1 769113159 JAOBBTICQOYTIL-ZETCQYMHSA-N 285.300 -0.869 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)[C@]1(C)CCCO1 782221564 MLUJKDWJQORYEL-KWQFWETISA-N 291.373 -0.015 50 20 CBGD N#C/C(=C\C1CC1)C(=O)OCc1nc(N)nc(N)n1 786673455 HCMWJLBXZXHXSY-XVNBXDOJSA-N 260.257 -0.061 50 20 CBGD CC(C)NC(=O)C(=O)NN=C1CCN(CC(C)(C)O)CC1 814217218 XEAAVLLBBRSGTL-UHFFFAOYSA-N 298.387 -0.150 50 20 CBGD C#CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 823838865 VZLKGZWEVPQSMD-UHFFFAOYSA-N 256.225 -0.739 50 20 CBGD CCOC1(C(=O)NN(CC)CCO)CCOCC1 823898496 XWRLFDFFVZXDEM-UHFFFAOYSA-N 260.334 -0.083 50 20 CBGD COc1cc(CCC(=O)NNC(=O)N2CCOCC2)on1 824621303 MBDRXXTYYLMVSK-UHFFFAOYSA-N 298.299 -0.311 50 20 CBGD O=C(COCc1ccccc1)NNC(=O)[C@@H]1CCNC1=O 828319493 NIPZCLDBUPCDAU-LLVKDONJSA-N 291.307 -0.513 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CO1 828422153 UAFCMONOMYONPX-KKZNHRDASA-N 291.373 -0.455 50 20 CBGD CCOC(=O)NNS(=O)(=O)c1csnc1C(=O)O 829865700 HTZPBOLPBHVTLT-UHFFFAOYSA-N 295.298 -0.219 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnn(C)n1 843652483 BFZPLUAZTJCXEI-BQBZGAKWSA-N 253.262 -0.999 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc2[nH]nnc2c1 843974840 DLJAYNUTQYHXIP-POYBYMJQSA-N 290.283 -0.461 50 20 CBGD CCO/C=C(/C#N)C(=O)N1C[C@@H](C(=O)OC)C[C@@H](O)C1 844120521 ZIRISTJLIINLJO-DJTJSURISA-N 282.296 -0.187 50 20 CBGD O=CN1CCC[C@H]1C(=O)NNC(=O)NCC(F)(F)F 847114610 CMQDFMWFEUSPKU-LURJTMIESA-N 282.222 -0.500 50 20 CBGD CC(C)(CO)C(=O)NNC(=O)NCC(F)(F)F 848032931 OSFMIJCZDREGRM-UHFFFAOYSA-N 257.212 -0.102 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@H](N2CCOC2=O)C1 852439384 CNICDEJCLGFEMD-JTQLQIEISA-N 298.343 -0.684 50 20 CBGD COCCCNC(=S)N(C)NC(=O)Cn1cccn1 854279989 MQJJTLMWEALLLX-UHFFFAOYSA-N 285.373 -0.243 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCC2=CCCC2)N1 858619681 RRYOZLKBBWKIBM-SECBINFHSA-N 266.301 -0.294 50 20 CBGD Cc1cc(=NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C)c[nH]1 860852296 UFTISIHZEOIXAI-VIFPVBQESA-N 291.311 -0.448 50 20 CBGD C=C[C@@](C)(CCOC)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862459785 BDQNOWPWAIAAPG-RNCFNFMXSA-N 283.328 -0.359 50 20 CBGD COc1cc(C=NNC(=O)CS(C)(=O)=O)sn1 863183585 HSNDLEAGDQLEMJ-UHFFFAOYSA-N 277.327 -0.354 50 20 CBGD CC(C)(C)OCCCC(=O)NNC(=O)CS(C)(=O)=O 863466696 XUFJBQSRKITKHW-UHFFFAOYSA-N 294.373 -0.226 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnn(C2CC2)c1 863865118 KANSREOTQXRAKG-UHFFFAOYSA-N 251.290 -0.459 50 20 CBGD COc1cccn2ncc(C(=O)NNC(=O)CN(C)C)c12 894135102 QTMYSTPXNURECH-UHFFFAOYSA-N 291.311 -0.335 50 20 CBGD C[C@]1(C(=O)NCCn2cnnn2)C[C@H]1Br 906994524 UQMNDELRXWMKJH-SVRRBLITSA-N 274.122 -0.037 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC2(CC1)CNC(=O)C2 1116328499 WKIMEEATVLKOEQ-SNVBAGLBSA-N 296.371 -0.466 50 20 CBGD COCC[C@H](C)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1118865666 PVRFILJRUOWVKX-IUCAKERBSA-N 286.332 -0.732 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CCc1cscn1 1318185847 ZDQPVGODYBUSOI-UHFFFAOYSA-N 284.341 -0.252 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(NC=O)cc1 1318844937 BDJTVLQGTMSRSS-UHFFFAOYSA-N 292.295 -0.460 50 20 CBGD COC(=O)N(C)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 1322016131 YEOXABSKUGZGCP-SSDOTTSWSA-N 296.370 -0.364 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cc[n+]([O-])cc1 1323346072 HYMOTQWJRJOFLU-UHFFFAOYSA-N 297.311 -0.130 50 20 CBGD O=C(CCc1ncccn1)NNC(=O)C(=O)N1CCCC1 1324742529 PVJWEKACSAGKBW-UHFFFAOYSA-N 291.311 -0.821 50 20 CBGD CC(=O)NCc1ccc(C(=O)NNC(=O)CO)cc1 1324977626 SIYKYWHQEIZVNR-UHFFFAOYSA-N 265.269 -0.924 50 20 CBGD CN1CC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C1=O 1330568027 QZXLRSGUMUCKHN-QMMMGPOBSA-N 295.274 -0.605 50 20 CBGD Cc1cc(NC(=O)C(=O)NNC(=O)C(C)(C)C)n(C)n1 1337224050 CCOMZYPUJGVYBF-UHFFFAOYSA-N 281.316 -0.139 50 20 CBGD CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 1337392841 AGIVTQJHYUWPIA-VHSXEESVSA-N 283.328 -0.429 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)C1CCOCC1 1339766201 NTWXPOUYQOKPBD-UHFFFAOYSA-N 257.290 -0.913 50 20 CBGD COCC#CC(=O)NNC(=O)CNC(=O)OC(C)(C)C 1347741996 GMDYVJDDIGQDGL-UHFFFAOYSA-N 285.300 -0.692 50 20 CBGD CO[C@@H]1CC[C@@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 1348110797 ONEYWCYJVUBURF-HLTSFMKQSA-N 284.316 -0.837 50 20 CBGD Cc1nc(C)c(CC(=O)NN(C)C[C@H](C)O)c(O)n1 1354059791 UKFOLISSZSBYFM-ZETCQYMHSA-N 268.317 -0.315 50 20 CBGD C[C@@H](N)CNC(=O)NNC(=O)N=c1cc[nH]cc1 1576159757 VVSJEHHOIJPRAU-SSDOTTSWSA-N 252.278 -0.814 50 20 CBGD C[C@@]1(C(=O)NNC(=O)NCCN)C[C@H]1Br 1576351341 YMMQHASAMOMKLZ-SVGQVSJJSA-N 279.138 -0.551 50 20 CBGD COCC[C@@H](N)C(=O)NNC(=O)c1ccc(C#N)cc1 1578997777 KHOVIRMNPYNGTR-LLVKDONJSA-N 276.296 -0.317 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@H]1CNCCN1C 1579296638 HBVBKGLJEQGKEM-LLVKDONJSA-N 292.339 -0.640 50 20 CBGD Cn1nc(C(=O)NNc2ccc(C(=O)O)cn2)ccc1=O 1600999000 VRAQFHJLGQFGAS-UHFFFAOYSA-N 289.251 -0.370 50 20 CBGD O=C(CO)NNC(=O)c1cc(C(=O)O)ccc1Cl 1601329964 DMLUWSCZLJXDPM-UHFFFAOYSA-N 272.644 -0.209 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc2c(c1)CC(=O)N2 7927761 ASMBEACVHGJFIK-UHFFFAOYSA-N 269.282 -0.489 50 20 CBGD CC(C)CCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 124264603 XNYGIHVKLQKFTK-SECBINFHSA-N 291.373 -0.060 50 20 CBGD CC(=O)NNC(=O)[C@H](Cc1ccccc1)n1nnnc1C 274194221 LNHUBMOXLMIZQR-LBPRGKRZSA-N 288.311 -0.067 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)CC(=O)N1 296240405 OWJBZQDKSDINMB-JTQLQIEISA-N 290.323 -0.732 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCc2nccn2C1 365630015 UEBYAZICLMSRDX-MRVPVSSYSA-N 266.301 -0.636 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1ccnc(OC)c1 496733083 JCGYQGPWYOOBON-UHFFFAOYSA-N 282.256 -0.194 50 20 CBGD C[C@H]1CCN(CCNC(=O)c2ccc(B(O)O)cc2)C1 584955747 ULMOONVEEQWRCB-NSHDSACASA-N 276.145 -0.562 50 20 CBGD CN(C)CC1(NC(=O)c2cccc(B(O)O)c2)CCC1 584985667 PPRQDAOHEHXGJX-UHFFFAOYSA-N 276.145 -0.420 50 20 CBGD CC(C)[C@@](C)(NC(=O)c1ccc(B(O)O)c(F)c1)C(N)=O 584989165 YPDFNYKLCXRCKQ-CYBMUJFWSA-N 296.107 -0.865 50 20 CBGD O=C(Cc1cn2ccccc2n1)N1CC[C@H](B(O)O)C1 585069826 PWKSEVRJZCEYEL-JTQLQIEISA-N 273.101 -0.048 50 20 CBGD O=C1C[C@H](C(=O)N2CC[C@H](B(O)O)C2)[C@H]2CCCC[C@@H]2N1 585073660 MNQVNBMNCHDDLX-USZNOCQGSA-N 294.160 -0.243 50 20 CBGD CCCCNC(=O)NNC(=O)CCn1ccnn1 732062186 BOFFRTRVWRAUBU-UHFFFAOYSA-N 254.294 -0.201 50 20 CBGD C[C@H](C(=O)NNC(=O)NCC1CC1)N1CCN(C)CC1 732911476 BSRQNCQDYWXLCE-SNVBAGLBSA-N 283.376 -0.637 50 20 CBGD O=C(CN1CCCNC1=O)NNc1cnccn1 734242578 LILMZYPKDLGHCM-UHFFFAOYSA-N 250.262 -0.665 50 20 CBGD CN(C)c1nccc(NNC(=O)c2ccn(C)c(=O)c2)n1 740102845 GNRVEQDFMWKABZ-UHFFFAOYSA-N 288.311 -0.002 50 20 CBGD CN(C)c1nccc(NNC(=O)C2(C(N)=O)CC2)n1 740104022 AOCGJNQFUUBROP-UHFFFAOYSA-N 264.289 -0.749 50 20 CBGD CCCN(C)CC(=O)NNC(=O)C(=O)NC(CC)CC 741217526 VRDGTUWMHBWJIH-UHFFFAOYSA-N 286.376 -0.220 50 20 CBGD CC(C)NC(=O)NNC(=S)NCC(=O)N(C)C 745036113 UMPGDZFCNUFDRX-UHFFFAOYSA-N 261.351 -0.839 50 20 CBGD CC(C)=C(C)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 751361472 WSSWHJSKTQBDOY-SECBINFHSA-N 289.357 -0.140 50 20 CBGD Cc1ccc(C(N)=O)cc1NC(=O)NNC(=O)CO 756262960 UWCPQWRGPUBDNV-UHFFFAOYSA-N 266.257 -0.761 50 20 CBGD COCC(=O)N(C)CC(=O)NNC(=O)c1ccccc1O 760118384 ROEHMVLTEIYOBL-UHFFFAOYSA-N 295.295 -0.742 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CC[C@@H]1O 778254419 CKEDPUBBIHYJEY-ZJUUUORDSA-N 271.361 -0.117 50 20 CBGD CCOCC(=O)NNC(=O)NCC1(OC)CCC1 780859352 CLCWVBVWMKKYIK-UHFFFAOYSA-N 259.306 -0.078 50 20 CBGD C=C(CN(C)C)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 792853278 CWUMHNSCEGSACL-LLVKDONJSA-N 289.401 -0.404 50 20 CBGD C[C@H]1COCCC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1 794495419 AGYURWSUEPDGEG-IUCAKERBSA-N 289.357 -0.115 50 20 CBGD C=CCNC(=S)NNC(=O)c1cc(C(=O)OC)no1 798304308 HRLADFCQWFBJJT-UHFFFAOYSA-N 284.297 -0.244 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)C1(O)CCCC1 802025230 XHLSKSMRCUEMJH-UHFFFAOYSA-N 264.285 -0.039 50 20 CBGD CC(C)n1cc(C=NNC(=O)C(=O)N2CCCC2)nn1 807968421 VOLROVSQXMYYBE-UHFFFAOYSA-N 278.316 -0.069 50 20 CBGD CC(=O)N[C@](C)(C(=O)NN(C)C[C@@H](C)O)C(C)C 822557457 LSPVYIUFKOQUTD-SKDRFNHKSA-N 259.350 -0.119 50 20 CBGD C[C@H](C(=O)NNC(=O)N=c1cc[nH]cc1)N(C)C 822760443 LYPCQPFJXRNDFU-MRVPVSSYSA-N 251.290 -0.394 50 20 CBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1ccoc1 826445559 YXLHRVVUDIFUNR-UHFFFAOYSA-N 287.239 -0.137 50 20 CBGD CS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CNCCO1 843436629 GBWLFBXFYUXWNO-JTQLQIEISA-N 299.352 -0.478 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843647627 UFQCSEMPNIGMBA-JGVFFNPUSA-N 273.289 -0.743 50 20 CBGD CCCCNC(=O)NNC(=O)[C@H]1CCCS(=O)(=O)C1 845297792 XIYMDGSBIAXRSU-VIFPVBQESA-N 291.373 -0.058 50 20 CBGD C[C@@H](O)[C@H]1CCCN1CC(=O)NNC(=O)C1CC1 852559907 MYJYWCZEIUAJGR-PSASIEDQSA-N 255.318 -0.611 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCCC12OCCO2 857432969 ORYMNJLIZSSDHC-VIFPVBQESA-N 299.327 -0.798 50 20 CBGD C#CCN(C)CCCNC(=O)NNC(=O)c1cn[nH]c1 858494755 WPBXWEULMNUYGU-UHFFFAOYSA-N 278.316 -0.691 50 20 CBGD COc1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 860443980 NNXWWMAZAREHPI-MRVPVSSYSA-N 293.283 -0.479 50 20 CBGD O=C(NNC(=O)[C@H]1CCCOC1)c1cccnn1 862047512 IVKIDVTVQCKSEC-QMMMGPOBSA-N 250.258 -0.336 50 20 CBGD C#CCCCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862459990 CRRKKWZBRSLNLM-VIFPVBQESA-N 251.286 -0.394 50 20 CBGD CO[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(C)C 862462655 ZKJWBAUKDXTREH-CBAPKCEASA-N 257.290 -0.917 50 20 CBGD CC(C)(C)[S@](=O)CCNC(=O)c1cccc(B(O)O)c1 863873171 ZRHAXEDNEUJQLG-HXUWFJFHSA-N 297.185 -0.357 50 20 CBGD COC(=O)[C@@](C)(CO)NS(=O)(=O)CBr 867381671 PFGFSJCWDLPXLS-ZCFIWIBFSA-N 290.135 -0.818 50 20 CBGD COc1ccc(NNC(=O)c2cn(C)c(=O)n2C)nc1 907591172 WUOKGTUQKQPKNK-UHFFFAOYSA-N 277.284 -0.116 50 20 CBGD C[C@]1(C(=O)N[C@@H](CO)C(N)=O)C[C@H]1Br 908136591 DBBBNVYGPLUTII-UUEMRFSQSA-N 265.107 -0.878 50 20 CBGD COC(=O)Cn1cccc1C=NNC(=O)C(=O)OC 1116476388 XAZYCHJLGDHPFO-UHFFFAOYSA-N 267.241 -0.716 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)Cc2cccnc2)C1=O 1116642087 RFFVFSTVBJNLHS-JTQLQIEISA-N 276.296 -0.750 50 20 CBGD C[C@H]1C[C@@H](C(=O)NNC(=O)C2CCOCC2)CO1 1262031214 KOCVEUKUIMABFU-WCBMZHEXSA-N 256.302 -0.015 50 20 CBGD CC(C)N1CC[C@H](NC(=O)NNC(=O)c2cn[nH]c2)C1=O 1329735439 NMGLSGGVHIDJLT-VIFPVBQESA-N 294.315 -0.637 50 20 CBGD CN(CCN)C(=O)C(=O)NC[C@]1(C)C[C@H]1Br 1331119629 HFZFSONNPMGDNN-XCBNKYQSSA-N 292.177 -0.307 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)C1CCOCC1 1338187460 LULQHNNSHFULKC-UHFFFAOYSA-N 285.344 -0.277 50 20 CBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NN=c1cc[nH]cc1 1521309058 RWYHMWFKBDDJGI-JQWIXIFHSA-N 261.329 -0.665 50 20 CBGD CN1C[C@H](C(=O)NNc2ccc(Cl)cn2)NCC1=O 1578519705 PVIQOJUEEAFRRU-MRVPVSSYSA-N 283.719 -0.392 50 20 CBGD NC1(CC(=O)NNC(=O)c2n[nH]c3c2CCCC3)COC1 1580144621 QEYUXVLYTLQTGB-UHFFFAOYSA-N 293.327 -0.833 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)c1ccccc1F 1593911604 OPLXKZOHUKBRJB-MRVPVSSYSA-N 270.216 -0.314 50 20 CBGD CCC(=O)NNS(=O)(=O)CC1(C(=O)O)CCCC1 1594712589 TYPYDCBMBNHIAY-UHFFFAOYSA-N 278.330 -0.008 50 20 CBGD O=C(NNc1cccnn1)N[C@H]1C[C@@H](C(=O)O)C1 1594782264 VKZIVIXQFWFJTK-KNVOCYPGSA-N 251.246 -0.034 50 20 CBGD Cc1cc(N2CC[C@H](B(O)O)C2)n2nc(C(=O)O)nc2n1 1600237925 DEAKWRMKKATHRU-ZETCQYMHSA-N 291.076 -0.816 50 20 CBGD O=C(NN=Cc1ccoc1C(=O)O)C(=O)NC1CC1 1601552870 LKJMWFIJENVORW-UHFFFAOYSA-N 265.225 -0.294 50 20 CBGD O=C(O)CNC(=O)NN=Cc1cc(CO)ccc1O 1602072001 HYWJFFPFYDZGNT-UHFFFAOYSA-N 267.241 -0.398 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccsc1C(=O)O 1603052142 GFOGOMLYFSSUQO-UHFFFAOYSA-N 271.254 -0.448 50 20 CBGD CCOCC(=O)NN=Cc1nc(-c2nn[nH]n2)cs1 1609239816 WWUNDZWAZGCSNG-UHFFFAOYSA-N 281.301 -0.190 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)NC1CC1 49128486 KUOLZGWPDALDME-SSDOTTSWSA-N 257.294 -0.684 50 20 CBGD CCCCNC(=O)NNC(=O)Cn1cc([N+](=O)[O-])cn1 49143677 OMCOWFYENMCEJK-UHFFFAOYSA-N 284.276 -0.078 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](N(C)C)C1 111248387 UVAWHJFWCHNBEH-QWRGUYRKSA-N 270.377 -0.042 50 20 CBGD CCc1nnsc1C(=O)NNC(=O)N1CCN(C)CC1 278558272 HIBOYMLVNVDSQQ-UHFFFAOYSA-N 298.372 -0.298 50 20 CBGD COC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)N1CCOCC1 285227848 QHUKYAMGHHFCHC-IUCAKERBSA-N 285.300 -0.741 50 20 CBGD C[C@@H](O)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 294574462 HCDQFMSZYOOFGN-MRVPVSSYSA-N 287.341 -0.239 50 20 CBGD COC(=O)NCCNC(=O)NNc1nc(C)cc(OC)n1 496822419 VGFRABWFVVEGRM-UHFFFAOYSA-N 298.303 -0.224 50 20 CBGD CCOC(=O)NNS(=O)(=O)N1C[C@H]2CC[C@H]1C2 497049779 ZHAALXSOFAFFCD-YUMQZZPRSA-N 263.319 -0.034 50 20 CBGD COCC1(C(=O)Nc2cccc(B(O)O)c2)CCOCC1 584913075 ZHHRTHDOOSPFHN-UHFFFAOYSA-N 293.128 -0.252 50 20 CBGD C[C@@H]1C[C@@H]1CNC(=O)c1cc(B(O)O)ccc1F 584929166 JWYDDIHFVHCNFH-HTQZYQBOSA-N 251.066 -0.109 50 20 CBGD C[C@@H]1C[C@@H]1CNC(=O)c1ccc(B(O)O)c(F)c1 584930479 YHYVVNONETUWPF-VXNVDRBHSA-N 251.066 -0.109 50 20 CBGD CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc(B(O)O)c1 584937838 CRUFDHKOWIPBEC-VHSXEESVSA-N 292.144 -0.601 50 20 CBGD CC[C@H](CN1CCCC1)NC(=O)c1cccc(B(O)O)c1 584952345 TUZZXRCWHCTFRW-CQSZACIVSA-N 290.172 -0.029 50 20 CBGD CC[C@@H](CCO)CNC(=O)c1ccc(B(O)O)cc1 584958739 RZZXUUPFNQZBME-JTQLQIEISA-N 265.118 -0.495 50 20 CBGD O=C(N[C@H](CO)CC(F)(F)F)c1cccc(B(O)O)c1 584969648 OWYDFDCXWCSKEP-VIFPVBQESA-N 291.034 -0.591 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@]12CCOC2 585000906 PPIBQIAJPPMTFJ-CYBMUJFWSA-N 279.076 -0.490 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CC(CF)C1 585001966 JGRNQCMTUAESLG-UHFFFAOYSA-N 255.029 -0.453 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1F)[C@H](C)n1cncn1 585020436 XGSCOLYTASKDHQ-UWVGGRQHSA-N 292.123 -0.164 50 20 CBGD OB(O)c1ccc(CNCCc2nccs2)o1 585020904 LQOLTIBFCYESNB-UHFFFAOYSA-N 252.104 -0.252 50 20 CBGD OC[C@H](Cc1ccccc1)NCc1ccc(B(O)O)o1 585023442 LGGGGLCAZBVYFH-LBPRGKRZSA-N 275.113 -0.347 50 20 CBGD O=C(CCCNCc1ccc(B(O)O)cc1F)NC1CC1 585024648 ZLAKJMGDLKOCBN-UHFFFAOYSA-N 294.135 -0.346 50 20 CBGD COC[C@@H](NCc1ccc(B(O)O)cc1)[C@H]1CCCO1 585039354 SMFGEZURZNFFRC-ZIAGYGMSSA-N 279.145 -0.350 50 20 CBGD O=S(=O)(NCB(O)O)c1cc(F)ccc1F 585054959 VIOAYYLHOQFBPQ-UHFFFAOYSA-N 251.019 -0.745 50 20 CBGD CO[C@]1(c2nc(-c3ccc(B(O)O)cc3)no2)CCOC1 585054999 PCLUUYIWRYSFPH-CYBMUJFWSA-N 290.084 -0.322 50 20 CBGD CO[C@@H](CC(C)C)CS(=O)(=O)N1CC[C@H](B(O)O)C1 585055604 BVHCCVXIBPAWDP-QWRGUYRKSA-N 293.194 -0.074 50 20 CBGD CC[C@@H](CS(=O)(=O)N1CC[C@@H](B(O)O)C1)OC 585056236 LHQHPZXYMYLLLW-BDAKNGLRSA-N 265.140 -0.710 50 20 CBGD Cc1cc(S(=O)(=O)NCB(O)O)c(F)cc1[N+](=O)[O-] 585057002 GTDUCHDCUPTLKT-UHFFFAOYSA-N 292.053 -0.667 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)N2CCOCC2)cc1 745992513 CJPWNWUEQQTRTJ-UHFFFAOYSA-N 292.295 -0.528 50 20 CBGD COC(=O)CN(CC#N)[C@@H](C)C(=O)NNC(=O)CC(C)C 746454552 DEYSLIQMDBSJLF-JTQLQIEISA-N 298.343 -0.433 50 20 CBGD O=C1CC(C(=O)NNc2cccc([N+](=O)[O-])c2)=NN1 749258645 NNYIKLXPCWTVOM-UHFFFAOYSA-N 263.213 -0.086 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCc2c[nH]nc2C1 750720054 LOPGPQSVJDJQFW-QMMMGPOBSA-N 265.317 -0.286 50 20 CBGD O=C(CO)NNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 753437307 ICQPCWUMRAXXCH-UHFFFAOYSA-N 293.239 -0.916 50 20 CBGD CNC(=O)NNC(=O)COc1c(C)nn(C)c1C 758445223 KYVWRWHYZKHHHW-UHFFFAOYSA-N 255.278 -0.624 50 20 CBGD CCC[C@](C)(O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 770748601 SAEJKZISWFJVDQ-KWQFWETISA-N 292.357 -0.880 50 20 CBGD O=C(Cn1cnnn1)NNc1ccnc(Br)c1 771535900 YSUJXWMAYKQPPU-UHFFFAOYSA-N 298.104 -0.026 50 20 CBGD Cn1cc([C@@H](O)C(=O)NNC(=O)c2ccccn2)cn1 773691397 FSMMOVBKVJSPKP-SNVBAGLBSA-N 275.268 -0.690 50 20 CBGD CC(C)[C@@H](NS(C)(=O)=O)C(=O)NNc1cnccn1 775278275 DLGMUVFIBPPNJD-SECBINFHSA-N 287.345 -0.507 50 20 CBGD CN(NC(=O)c1ccc2nc(O)n(C)c2c1)C(N)=O 778415725 OHBVRSCKDGXVMJ-UHFFFAOYSA-N 263.257 -0.066 50 20 CBGD O=C(CO)NNC(=O)c1cc2nccnc2cc1F 792658728 UEJOZNCRSGGVCO-UHFFFAOYSA-N 264.216 -0.478 50 20 CBGD O=C(NNc1cccnn1)[C@@H]1COCCN1CC(F)F 806888734 RTLAVHIWBRAFRY-QMMMGPOBSA-N 287.270 -0.114 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F 823828946 KMXMGXKGVGBIOL-HTQZYQBOSA-N 297.277 -0.354 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(CN(C)C)CC1 824017019 YBEPWFXAERHJSA-ZJUUUORDSA-N 269.345 -0.099 50 20 CBGD O=C(NNS(=O)(=O)C[C@@H]1CCCO1)[C@H]1CCCCO1 830034320 PEOMFBQMNRTZGK-VHSXEESVSA-N 292.357 -0.315 50 20 CBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC=C(C#N)CC1 831487586 CGOMWOWAQKXEQG-SECBINFHSA-N 271.342 -0.004 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)[C@@H]2CCCCO2)C1 833246498 LJUOBKPGCNJGBX-QWRGUYRKSA-N 285.344 -0.576 50 20 CBGD COc1cc(C)nc(NNC(=O)N[C@@H](C)CN)n1 841989546 PXNRRFWXYSIOQA-ZETCQYMHSA-N 254.294 -0.233 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1C[C@]12CCOC2 843656960 NWPDGBXAXQBSAU-XHSYRHOGSA-N 268.313 -0.015 50 20 CBGD COCCCNC(=O)NNC(=O)Cc1cc(C)no1 845298241 IQQUZCVJQWQMGW-UHFFFAOYSA-N 270.289 -0.108 50 20 CBGD CC(C)(C)n1nnc(C=NNC(=O)c2ncccn2)n1 853359118 JZSWAAGCSLJNTA-UHFFFAOYSA-N 274.288 -0.018 50 20 CBGD Cc1cnc2nc(C(=O)NNC(=O)C3CC3)nn2c1 854180095 HXZQZPKJZRLSBI-UHFFFAOYSA-N 260.257 -0.396 50 20 CBGD CCOC(=O)NCCCC(=O)NNC(=O)c1cc[nH]n1 855357259 GGWJSJYQGUTCHS-UHFFFAOYSA-N 283.288 -0.303 50 20 CBGD CCOC(=O)[C@@H](CC)C(=O)NNc1cnnn1C 857270513 FLKSXTAIIRAHJB-ZETCQYMHSA-N 255.278 -0.153 50 20 CBGD C[C@@H]1CC[C@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858378821 SFXZOSJILAQZFU-VGMNWLOBSA-N 268.317 -0.216 50 20 CBGD CC(C)(CC#N)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858533785 XKJNMHNLWOUKBZ-QMMMGPOBSA-N 281.316 -0.465 50 20 CBGD CC[C@H](C(=O)NNC(=O)c1cn[nH]c1)N1CCCC1=O 862472392 YNRHITQWNIIUAO-SECBINFHSA-N 279.300 -0.428 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1CCCSC1 863466587 VYTRNXZIIQOQKA-ZETCQYMHSA-N 280.371 -0.678 50 20 CBGD CC(C)OC(=O)[C@@H](C)CNC(=O)c1cccc(B(O)O)c1 863873887 LDBCUFQKUGYACC-JTQLQIEISA-N 293.128 -0.316 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H](CC)NC(C)=O 864455342 MYAHVQOWWCYQKZ-QMMMGPOBSA-N 258.347 -0.418 50 20 CBGD CONC(=O)C1CCN(S(=O)(=O)CCl)CC1 872527058 JWKMQYPTQTXLMX-UHFFFAOYSA-N 270.738 -0.098 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@]1(COC)CCCCN1 876884507 KMDKFZBHBXNUEQ-LBPRGKRZSA-N 272.349 -0.162 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H]1CCN(C)C1=O 887146501 AAOQVFHFJJBKCM-VIFPVBQESA-N 251.286 -0.584 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1COc2ccc(O)cc2O1 910148188 YCFKJNMGZRVBSH-PELKAZGASA-N 282.296 -0.124 50 20 CBGD O=C(NNC(=O)c1n[nH]c(O)n1)c1ccc2c(c1)OCO2 918278146 QAKYIJMHLHOWMK-UHFFFAOYSA-N 291.223 -0.686 50 20 CBGD CC(=O)NNC(=O)Cn1cc(C(N)=O)c2ccccc21 920430182 NLLQBASMOAPJKO-UHFFFAOYSA-N 274.280 -0.093 50 20 CBGD O=C(C[C@@H]1COC(=O)C1)NNC(=O)c1ccncc1 1116290410 HOHADOSBMBSCRT-QMMMGPOBSA-N 263.253 -0.204 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2coc(C(N)=O)c2)cn1 1116598146 WWFFTFYAMFWOBT-UHFFFAOYSA-N 277.240 -0.813 50 20 CBGD CN(NC(=O)CNC(=O)c1cc(Cl)ccn1)C(N)=O 1320104025 RAFJTTPAJSAWNW-UHFFFAOYSA-N 285.691 -0.494 50 20 CBGD CNC(=O)NNC(=O)c1c[nH]nc1-c1cnn(C)c1 1320629709 LOQFDDZLVPQELG-UHFFFAOYSA-N 263.261 -0.616 50 20 CBGD CCc1onc(C)c1NC(=O)C(=O)NNC(=O)CN(C)C 1323945095 PZOYFGNMUNQIQB-UHFFFAOYSA-N 297.315 -0.807 50 20 CBGD Cn1nc(Br)cc1C=NNC(=O)C(N)=O 1326579586 KVJUPDCRKBFGSI-UHFFFAOYSA-N 274.078 -0.882 50 20 CBGD Cc1onc(N)c1S(=O)(=O)NNC(=O)NCC1CC1 1326714979 GBBHWBYLLWDJCI-UHFFFAOYSA-N 289.317 -0.532 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCS[C@@H]1C 1326794285 ZFZVASQYYHMFGX-PHDIDXHHSA-N 261.303 -0.616 50 20 CBGD Cc1n[nH]cc1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1327705960 JHJZLACPDMCAHR-VIFPVBQESA-N 286.357 -0.176 50 20 CBGD O=C(c1ccnc(N2CCCC2)n1)N1CC[C@@H](B(O)O)C1 1330262952 VWCDDMLZINXVCG-SNVBAGLBSA-N 290.132 -0.234 50 20 CBGD Cn1ccnc(NNC(=O)Cn2ccccc2=O)c1=O 1330777957 MVEFFDVJARDVEZ-UHFFFAOYSA-N 275.268 -0.915 50 20 CBGD CO[C@@H](C)CNC(=O)NNC(=O)C1CCOCC1 1331305891 MBKUIEQINBRIJW-QMMMGPOBSA-N 259.306 -0.222 50 20 CBGD O=C(c1ccc(-n2cnnn2)cc1)N1CC[C@@H](B(O)O)C1 1331895547 MCGVVOVVMARVDY-SNVBAGLBSA-N 287.088 -0.649 50 20 CBGD C[C@H](O)c1cn(CC(=O)NNC(=O)c2ccncc2)nn1 1333244554 IPQYQXUBRRXAON-QMMMGPOBSA-N 290.283 -0.812 50 20 CBGD COc1cc(C)nc(NNC(=O)C(=O)c2cnn(C)c2)n1 1339801472 BCEHFSHAXGVJOV-UHFFFAOYSA-N 290.283 -0.147 50 20 CBGD CCCC[C@@H](COC)NC(=O)NNC(=O)C(=O)OC 1339819647 RKUVVJBKGNDDFP-QMMMGPOBSA-N 275.305 -0.305 50 20 CBGD Cc1nnc(NNC(=O)[C@]2(F)CCOC2)nc1O 1346351295 FRSXNECRFKVJKH-VIFPVBQESA-N 257.225 -0.543 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCc1ncc(C)cc1C 1346453091 PBHAJXBHOZRAKP-UHFFFAOYSA-N 294.311 -0.256 50 20 CBGD COc1ccc(NNC(=O)C(=O)Nc2ncn(C)n2)cc1 1347666883 SCXALVZYVVRXFX-UHFFFAOYSA-N 290.283 -0.095 50 20 CBGD O=C(NN=Cc1cc[nH]n1)[C@@H]1CN2CCC[C@H]2CO1 1549317857 NBAPGHODDGCEHQ-QWRGUYRKSA-N 263.301 -0.277 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@@H]2CCC[C@]2(C(=O)O)C1 1590938372 CVJZCQHJJMCMBD-HZMBPMFUSA-N 297.355 -0.024 50 20 CBGD CN(C)C(=O)/C=C\C(=O)NNc1ncccc1C(=O)O 1593684485 XRIKVYOMNYJGKO-WAYWQWQTSA-N 278.268 -0.133 50 20 CBGD O=C(NNC(=O)[C@@H](C(=O)O)C1CC1)c1cccnn1 1594779614 VCYJAPKYIXKGCL-QMMMGPOBSA-N 264.241 -0.652 50 20 CBGD O=C(O)COCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 1602078336 ZKFRGIFMNOQSPG-UHFFFAOYSA-N 297.223 -0.543 50 20 CBGD O=C(O)Cn1cccc1C=NNC(=O)N1CCOCC1 1602166272 IWFCFWQRBOATLC-UHFFFAOYSA-N 280.284 -0.052 50 20 CBGD O=C1CC[C@@H](C(=O)NN=Cc2ccoc2C(=O)O)N1 1602638587 SXBDXZOXBAJENG-ZETCQYMHSA-N 265.225 -0.294 50 20 CBGD COC(C)(C)C[C@H](C)NC(=O)NNC(=O)C(=O)O 1606657559 ZEEONHISOYJWQO-LURJTMIESA-N 261.278 -0.395 50 20 CBGD COCCOCC(=O)NNc1ccc(C(=O)O)cn1 1606901100 QWWZZVKBZHJUCZ-UHFFFAOYSA-N 269.257 -0.114 50 20 CBGD COCc1nc(CNC(=O)NNC(=O)C(=O)O)cs1 1606976979 YFCRSEQXGMOGBJ-UHFFFAOYSA-N 288.285 -0.796 50 20 CBGD O=C(C[C@@H]1CC(=O)NC1=O)NNc1ccc(C(=O)O)cn1 1608292566 TWZCFPYWZBJWCC-ZETCQYMHSA-N 292.251 -0.724 50 20 CBGD O=C(C(O)O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(Cl)Cl 1847450317 TWVCUMRLAWSVLF-WDSKDSINSA-N 297.138 -0.697 50 20 CBGD CN(C)CC(=O)NNC(=O)COc1ccccc1 75653137 MTTZCTIUYFYGPY-UHFFFAOYSA-N 251.286 -0.226 50 20 CBGD CCOC(=O)/C(C#N)=C/NCCOCCS(C)(=O)=O 265896805 BUSJJDYDGRZHOL-MDZDMXLPSA-N 290.341 -0.392 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2CNCCO2)n1 269225994 QNPDYKJBFRREKI-MRVPVSSYSA-N 267.289 -0.775 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)[C@@H]2CCCC(=O)N2)n1 273513921 PPOLZBRGIGKVFD-YFKPBYRVSA-N 284.707 -0.176 50 20 CBGD CNC(=O)NCCC(=O)NNc1nccc(OC)n1 292671200 MEXVPWNTXJXTFK-UHFFFAOYSA-N 268.277 -0.753 50 20 CBGD Cn1nnc2c(C(=O)NNC(=O)CC3CC3)ccnc21 294054201 FZQZJBMWTZYRQL-UHFFFAOYSA-N 274.284 -0.076 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCCCS1(=O)=O 405004076 PURRECDWVYNGHB-NSHDSACASA-N 297.141 -0.728 50 20 CBGD CCOC(=O)NNC(=O)[C@H]1CC(=O)N(CCOC)C1 490558336 CMPSJKYETOMVKW-QMMMGPOBSA-N 273.289 -0.741 50 20 CBGD COC(=O)N(C)NC(=O)[C@]12CCC(=O)N1CCS2 495691508 BPTGNQFYTCIHNM-SNVBAGLBSA-N 273.314 -0.219 50 20 CBGD C[C@H]1C[C@@H]1CNC(=O)c1cc(B(O)O)ccc1F 584929167 JWYDDIHFVHCNFH-JGVFFNPUSA-N 251.066 -0.109 50 20 CBGD CC[C@H]1[C@H](CO)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584995022 HJWTXUFKPWBHBS-GWCFXTLKSA-N 295.119 -0.262 50 20 CBGD C[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)[C@H]1CCO 585007036 TYRFAQRCJJJWNZ-FZMZJTMJSA-N 291.156 -0.011 50 20 CBGD C[C@](CO)(CCF)NC(=O)c1cc(B(O)O)ccc1F 585010758 PFIUYECEYREHTO-GFCCVEGCSA-N 287.071 -0.654 50 20 CBGD OB(O)c1ccc(CNCCCOC[C@@H]2CCCO2)o1 585014302 NBYDQFMXTJLATB-LBPRGKRZSA-N 283.133 -0.365 50 20 CBGD Cn1cc(CCCNCc2ccc(B(O)O)o2)cn1 585020766 IQHCVSINJPJYEC-UHFFFAOYSA-N 263.106 -0.585 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCn3ccnc3C2)o1 585036919 SODRSNKMSZJRAD-SECBINFHSA-N 261.090 -0.740 50 20 CBGD OB(O)c1ccccc1CNCc1nnnn1CC1CC1 585037386 ZXOBDLKOSXTTFN-UHFFFAOYSA-N 287.132 -0.947 50 20 CBGD O=C1CCCN1Cc1nc(-c2cccc(B(O)O)c2)no1 585051903 OKFUSSIWOYYTNZ-UHFFFAOYSA-N 287.084 -0.461 50 20 CBGD O=S(=O)(c1cncc(F)c1)N1CC[C@@H](B(O)O)C1 585057861 MLGWYFIZATWSDJ-SSDOTTSWSA-N 274.082 -0.542 50 20 CBGD COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NCB(O)O)c1 585063436 ZDYICBZMOVMHCP-KOLCDFICSA-N 279.101 -0.065 50 20 CBGD CCCNC(=O)NNC(=O)c1ccc(C(=O)NC)nc1 728517977 AECHLWSPZDHJKC-UHFFFAOYSA-N 279.300 -0.205 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=S)N[C@@H](C)COC 733948122 QOQNNMMECKJRBV-DTWKUNHWSA-N 293.389 -0.432 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1C[C@H]1C(=O)O 739041822 BUPCRNHNXSYZLY-RNFRBKRXSA-N 251.242 -0.493 50 20 CBGD CC(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744474583 VBJNSDLRLUILHU-UHFFFAOYSA-N 261.237 -0.118 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cn2cccnc2n1 745985948 DTSJEXVGXFMMAT-UHFFFAOYSA-N 290.283 -0.584 50 20 CBGD CN1CCN(C(=O)NN=C2CCN(C)C2=O)CC1 761830801 KIVPURLGBMPXCL-UHFFFAOYSA-N 253.306 -0.839 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cc(C)cnc1OC 763440611 KFULRXFBULKVFM-UHFFFAOYSA-N 280.284 -0.105 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)c2cc(C)[nH]n2)CCC1 768276967 RITJVUMEIHYCNK-UHFFFAOYSA-N 279.300 -0.605 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)[C@H](C)CN1C 768765059 REGVJURTLKEVQT-NXEZZACHSA-N 268.361 -0.432 50 20 CBGD COC(=O)Cc1occc1C(=O)NN(C)C(N)=O 774092968 QWXSKWHXDJKCLG-UHFFFAOYSA-N 255.230 -0.350 50 20 CBGD N#Cc1ncn(CC(=O)NNc2ccnc(F)c2)n1 781361229 VROZXDHRJDCACT-UHFFFAOYSA-N 261.220 -0.173 50 20 CBGD O=C(CN1CCOCC1)NNc1ncncc1Cl 781825130 LEDYXILVOPAGJX-UHFFFAOYSA-N 271.708 -0.095 50 20 CBGD O=C(NNC(=O)c1cc([N+](=O)[O-])n[nH]1)NC1CC1 795587850 NHJIVYPKVLWQHP-UHFFFAOYSA-N 254.206 -0.576 50 20 CBGD COc1cncc(C(=O)NNC(=O)N=c2cc[nH]cc2)n1 802026361 VVCOYMUMCYGCPD-UHFFFAOYSA-N 288.267 -0.231 50 20 CBGD COCCCNC(=O)NNC(=O)c1cc([N+](=O)[O-])cn1C 813538090 DTBONGPYHGNBHZ-UHFFFAOYSA-N 299.287 -0.086 50 20 CBGD CCc1nn(C)c(OC)c1C=NNC(=O)C(=O)NC1CC1 814778188 USYAUYWYDIEMNA-UHFFFAOYSA-N 293.327 -0.280 50 20 CBGD Cc1c[nH]nc1C=NNC(=O)CNC(=O)c1cccnc1 814873498 DXQGWZOEFGFUKL-UHFFFAOYSA-N 286.295 -0.007 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cc(C(N)=O)cs1 823964931 GJUULRVWVAGLOE-ZCFIWIBFSA-N 257.315 -0.196 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 824627625 QUADRDXQSSFZCN-CQSZACIVSA-N 290.323 -0.253 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)[C@H]2CCCCO2)C1 833246497 LJUOBKPGCNJGBX-MNOVXSKESA-N 285.344 -0.576 50 20 CBGD Cc1nonc1CC(=O)NNC(=O)Cc1ccncc1 845705858 WUMHLYGQJWNGBW-UHFFFAOYSA-N 275.268 -0.294 50 20 CBGD C=CCNC(=S)NNC(=O)C[C@H]1CCC(=O)N1 854185865 NAIWFAFTFAXHKW-SSDOTTSWSA-N 256.331 -0.664 50 20 CBGD C[C@H](NC(=S)NNC(=O)CS(C)(=O)=O)C1CC1 855102232 IMCWNGYHNQJZGM-LURJTMIESA-N 279.387 -0.675 50 20 CBGD O=C(Cn1cc(C2CC2)cn1)NNC(=O)c1cc[nH]n1 855355417 YKMNULQSFTZSDI-UHFFFAOYSA-N 274.284 -0.055 50 20 CBGD C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)c1cc[nH]n1 855355593 AUAAJBMXSVSXKQ-OOZYFLPDSA-N 252.274 -0.016 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 855476356 NOVYLUSVMIQSLY-STFJZOTBSA-N 288.325 -0.641 50 20 CBGD Cc1cc(=NNC(=O)[C@@H](C)CS(C)(=O)=O)cc[nH]1 862513985 XHOMMQSFDMDLER-QMMMGPOBSA-N 271.342 -0.064 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CCCN(CC(F)F)C1 864992463 IDBJNLTXTVYWIR-SSDOTTSWSA-N 264.276 -0.076 50 20 CBGD COc1ccccc1OCC(=O)NNC(=O)[C@H]1C[C@@H](O)C1 873771626 GCMJKXBULHYNED-AOOOYVTPSA-N 294.307 -0.008 50 20 CBGD O=C(CN1C[C@H]2CC[C@@H](O)[C@H]2C1)NNC(=O)C1CC1 886575071 DWMPRIFCIADAGC-OUAUKWLOSA-N 267.329 -0.754 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@]1(OC)CCSC1 900384208 BMDJPOYOAMLCAL-LLVKDONJSA-N 291.373 -0.125 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)CN(C)C1CCC1 900808698 ITXAOLJQIHRKJN-UHFFFAOYSA-N 298.387 -0.077 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCc2n[nH]cc2C1 910159651 ADJGWWLQHXXSQE-IUCAKERBSA-N 252.318 -0.142 50 20 CBGD C[C@@H](O)CN(C)NC(=O)Cn1c(=O)cnc2ccccc21 910176833 DSLMQKRFORVLSX-SNVBAGLBSA-N 290.323 -0.260 50 20 CBGD O=C(N[C@H]1CCCC12OCCO2)c1cccc(B(O)O)c1 912819162 XWQACEKOAHFYFD-LBPRGKRZSA-N 291.112 -0.608 50 20 CBGD CSC1(C(=O)NNC(=O)CN2CCCC2=O)CC1 913732520 ZMRYNKJQVHMCGA-UHFFFAOYSA-N 271.342 -0.348 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O 920858369 FIFRESBXANJCSU-NTSWFWBYSA-N 296.249 -0.206 50 20 CBGD COCCCNC(=O)NNC(=O)c1c[nH]nc1C 920862103 OHKRLZSVAPTRGN-UHFFFAOYSA-N 255.278 -0.301 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCC(F)(F)F 1116187799 UZYUWQUDFTYFHD-UHFFFAOYSA-N 257.168 -0.558 50 20 CBGD CN(C)C(=O)CNC(=O)C(=O)NNc1ccc(C#N)cc1 1116698459 XLDXLVGINUITNG-UHFFFAOYSA-N 289.295 -0.794 50 20 CBGD N#CCC1(CNC(=O)NNC(=O)C(=O)NC2CC2)CC1 1116884402 LUGIZQZRUVHEQG-UHFFFAOYSA-N 279.300 -0.711 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@@]2(C)CCNC2=O)cc1 1119093584 UPRBZUDNUBNKDM-AWEZNQCLSA-N 291.307 -0.018 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CC(c2cnn(C)c2)=NO1 1120663896 PJOJMUBVZHNMDO-GZMMTYOYSA-N 281.316 -0.743 50 20 CBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)C(C)(C)C)nn1 1253050055 YFBDJXNHRDOSRI-SSDOTTSWSA-N 269.305 -0.475 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2c(F)cncc2F)CC1 1261909887 IKOGCGRSWHUTHA-UHFFFAOYSA-N 299.281 -0.038 50 20 CBGD COC(=O)NCC(=O)NNc1nncc(N)c1Cl 1319778303 XBUYAVPNZQWIKL-UHFFFAOYSA-N 274.668 -0.489 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2ccc(O)nn2)n[nH]1 1319802821 NNVUWSLJJQGJLN-UHFFFAOYSA-N 262.229 -0.711 50 20 CBGD CCn1nccc1C(=O)NNc1nnc(C)c(O)n1 1320425652 CHWNVVYLWZNNJG-UHFFFAOYSA-N 263.261 -0.141 50 20 CBGD CCc1cc(C(=O)NNC(=O)N2CCOCC2)nn1C 1320840677 UAIYMIQCUHAWQR-UHFFFAOYSA-N 281.316 -0.331 50 20 CBGD O=C(C[C@H]1CCC(=O)N1)NNC(=O)NCC1CC1 1327862405 JDBWEOHVMOOBFB-MRVPVSSYSA-N 254.290 -0.605 50 20 CBGD CNC(=S)N(C)NC(=O)CCn1cnccc1=O 1328415904 FBVCKTMLVAQMHF-UHFFFAOYSA-N 269.330 -0.899 50 20 CBGD Cc1n[nH]cc1CNC(=O)NNC(=O)C(=O)N1CCCC1 1342693941 YFPJOLBKSSOKFL-UHFFFAOYSA-N 294.315 -0.829 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1CCc2ncncc2C1 1346080936 PBZDAZALEMAXBK-QMMMGPOBSA-N 263.301 -0.116 50 20 CBGD C[C@H](NC(=O)NNC(=O)C1CCC1)[C@@H]1CN(C)CCN1C 1347185464 JSHLUILDKHMEOU-JQWIXIFHSA-N 297.403 -0.249 50 20 CBGD O=C([C@H]1CCc2nccn2C1)N1CC[C@H](B(O)O)C1 1348489887 GTCOUBADSSXSAZ-UWVGGRQHSA-N 263.106 -0.479 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CNCCC1(F)F 1579056549 PTHYUXNMONJYPI-MRVPVSSYSA-N 295.286 -0.958 50 20 CBGD O=C(NNC(=O)[C@H]1NCC12CCCC2)c1ncon1 1580736444 STDWTTFRSVIAAW-SSDOTTSWSA-N 265.273 -0.637 50 20 CBGD C[C@@H](C(=O)O)C(=O)NNC(=O)c1ccccc1O 1588573811 KWZUJTJPUYWMRR-ZCFIWIBFSA-N 252.226 -0.126 50 20 CBGD CCC[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)O 1595995876 INEHZNSCHUTRFU-SNVBAGLBSA-N 265.074 -0.651 50 20 CBGD Cc1cc(C(=O)NNC(=O)Cn2cc(C(=O)O)cn2)n[nH]1 1607580177 KZZYMGPMFGDOKH-UHFFFAOYSA-N 292.255 -0.926 50 20 CBGD O=C(NNC(=O)[C@H]1CCCO1)c1cc([N+](=O)[O-])c[nH]c1=O 32742018 JHVARBWYLSCSKL-MRVPVSSYSA-N 296.239 -0.777 50 20 CBGD CCCCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 48952891 PVPLGKBKVYFQBP-MRVPVSSYSA-N 277.346 -0.306 50 20 CBGD O=C(CCC(=O)N1CCOCC1)NNC(=O)NC1CC1 49144688 SIYGKUQWPDXTAE-UHFFFAOYSA-N 284.316 -0.882 50 20 CBGD O=C(CN1CCC(CO)CC1)NNC(=O)C1CC1 132108628 HRQFAEOPYTWGTH-UHFFFAOYSA-N 255.318 -0.752 50 20 CBGD CC(C)[C@@H](C(=O)NNc1nccn(C)c1=O)N(C)C 156259512 NBXKPQRWBGXIAR-VIFPVBQESA-N 267.333 -0.190 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@@H](C)CS(C)(=O)=O)n1 279760288 FJKUJUMNVJSLHC-QMMMGPOBSA-N 299.352 -0.168 50 20 CBGD CCOC(=O)CC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 292711392 MEWRUQPCJICBOM-YUMQZZPRSA-N 258.274 -0.346 50 20 CBGD COC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)[C@H]1CCCO1 293267099 GAMQKPUQEOUGSU-DJLDLDEBSA-N 270.285 -0.488 50 20 CBGD O=C(CCCn1ccnn1)Nc1cccc(B(O)O)c1 584912536 GPDSIKYDCMWUGI-UHFFFAOYSA-N 274.089 -0.623 50 20 CBGD N#CCCN(CCC#N)C(=O)c1cccc(B(O)O)c1 584934787 SRRQADDEZRGYRQ-UHFFFAOYSA-N 271.085 -0.364 50 20 CBGD CC(C)(C)C[C@H](O)CNC(=O)c1cccc(B(O)O)c1 584949374 RHJUIEHPCYCHRA-LBPRGKRZSA-N 279.145 -0.107 50 20 CBGD C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cccc(B(O)O)c1 584957286 DMHLPNRHZFAEAI-HZMBPMFUSA-N 288.156 -0.421 50 20 CBGD C[C@@H](C[S@](C)=O)NC(=O)c1cc(B(O)O)ccc1F 584972727 FSEYXKXMXUKBFB-IIYDVTGLSA-N 287.121 -0.998 50 20 CBGD CO[C@@H]1CC[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 584980422 ZLZGWIATURTHHI-NXEZZACHSA-N 281.092 -0.197 50 20 CBGD CCO[C@H]1C[C@@H]1NC(=O)c1cc(B(O)O)ccc1F 584981089 BNPCPJPGOXEOAM-QWRGUYRKSA-N 267.065 -0.587 50 20 CBGD O=C(NC[C@@H]1CCSC1)c1ccc(B(O)O)c(F)c1 584984424 YKEQSESHDJAYTN-QMMMGPOBSA-N 283.133 -0.012 50 20 CBGD CCN1CCN(C(=O)c2cccc(B(O)O)c2)[C@H](C)C1 584989145 YGONCKIYPDTQSE-LLVKDONJSA-N 276.145 -0.467 50 20 CBGD OB(O)c1ccccc1CN[C@@H]1CCc2c[nH]nc2C1 585031886 ZNZATPQASAOEGP-GFCCVEGCSA-N 271.129 -0.263 50 20 CBGD O=S1(=O)CCCC[C@@H]1CNCc1ccc(B(O)O)cc1 585035833 ZNXUATFFVMIMMF-CYBMUJFWSA-N 297.185 -0.577 50 20 CBGD OB(O)c1ccc(CNC[C@@H]2CC[C@H](O)C2)c(F)c1 585037771 JJOZDUXUSMBVHL-SKDRFNHKSA-N 267.109 -0.244 50 20 CBGD O=S(=O)(NCB(O)O)c1c(F)cccc1F 585054810 RKWIPLBLLCEEEN-UHFFFAOYSA-N 251.019 -0.745 50 20 CBGD CC(C)OCCS(=O)(=O)N1CC[C@H](B(O)O)C1 585058516 HKVDBSPBUMVCJA-VIFPVBQESA-N 265.140 -0.710 50 20 CBGD COc1ccsc1S(=O)(=O)N1CC[C@@H](B(O)O)C1 585058559 ISMUNQQTECESPU-SSDOTTSWSA-N 291.159 -0.006 50 20 CBGD C[C@@H]1CCCN1S(=O)(=O)N1CC[C@@H](B(O)O)C1 585058983 WAMWFVFDKJUGJZ-RKDXNWHRSA-N 262.140 -0.736 50 20 CBGD CCCNC(=O)c1cccc(C(=O)NCB(O)O)c1 585060399 QHRNCLLUUJUXAW-UHFFFAOYSA-N 264.090 -0.432 50 20 CBGD C[C@H](O)CNc1cc(N2CC[C@@H](B(O)O)C2)ncn1 585078973 QQJOYTWZNGCVDV-DTWKUNHWSA-N 266.110 -0.678 50 20 CBGD COCC[C@H](C)NC(=O)NNC(=O)C(=O)NC1CC1 726261919 WTLPBQDYQSVMOB-ZETCQYMHSA-N 272.305 -0.980 50 20 CBGD CC(CS(C)(=O)=O)=NNC(=O)Cc1cc(C)[nH]n1 732528367 IFGHEHPMQURYMG-UHFFFAOYSA-N 272.330 -0.203 50 20 CBGD CCOCC(=O)NN[C@H](C(N)=O)c1ccc(C#N)cc1 734506406 QSPKQMMPIMULJW-LBPRGKRZSA-N 276.296 -0.258 50 20 CBGD COc1ncnc(N)c1C=NNC(=O)C(=O)N1CCCC1 747629687 CUFCIHMCDATWGR-UHFFFAOYSA-N 292.299 -0.860 50 20 CBGD Cn1ccnc(NNC(=O)CCOC[C@H]2CCCO2)c1=O 747941818 PCJCHRVAEVQJBY-SNVBAGLBSA-N 296.327 -0.191 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CCOC1 751203345 MIGZRNOMBLNJTL-QMMMGPOBSA-N 281.268 -0.807 50 20 CBGD CCO[C@@H](CC)C(=O)NNC(=O)CNC(=O)c1ccco1 751203874 SZUQQDIGZJMWPF-VIFPVBQESA-N 297.311 -0.028 50 20 CBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CO 753445560 NQDPXUFLVPXOCC-SSDOTTSWSA-N 256.233 -0.267 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)Cc2cc[nH]n2)CC1 755269482 QHRCSPDCTCHAFG-UHFFFAOYSA-N 280.284 -0.557 50 20 CBGD Cc1ccc(-n2cnnn2)cc1NC(=O)NNC(=O)CO 755822114 GCHPARGQJNHJPM-UHFFFAOYSA-N 291.271 -0.884 50 20 CBGD C[C@H](O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 765459949 ILKVWTWPTWZIGL-LURJTMIESA-N 253.214 -0.263 50 20 CBGD CC(=NNC(=O)CO)c1ccc(NS(C)(=O)=O)cc1 776780237 YGMKBMGNNJXULG-UHFFFAOYSA-N 285.325 -0.109 50 20 CBGD CN(NC(=O)Cn1cnc2sccc2c1=O)C(N)=O 778414827 LNNRCFKIBMOGGT-UHFFFAOYSA-N 281.297 -0.500 50 20 CBGD O=C(NNC(=O)c1c[nH]nc1-c1ccoc1)c1cnn[nH]1 789934919 IPRWFIDWYVWRAP-UHFFFAOYSA-N 287.239 -0.137 50 20 CBGD O=C1CCC[C@H](C(=O)NNC(=O)c2ccc[nH]2)N1 799526091 BWZOQDONUZITNT-MRVPVSSYSA-N 250.258 -0.556 50 20 CBGD CCNC(=O)NNC(=O)[C@H](NC(N)=O)C(C)(C)C 800328185 INZYXMBOLNCZCL-LURJTMIESA-N 259.310 -0.580 50 20 CBGD Nc1ccc(C=NNC(=O)CNC(=O)c2cccnc2)cn1 807977275 ZBYGPKLELURORF-UHFFFAOYSA-N 298.306 -0.061 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)CC2CC2)nn1 814989763 USKAGWGIEZLCLK-UHFFFAOYSA-N 251.246 -0.387 50 20 CBGD O=C(Cc1ccccc1)NCC(=O)NNc1nc[nH]n1 816632782 YLEGQUHAMJEQDF-UHFFFAOYSA-N 274.284 -0.393 50 20 CBGD COc1nccnc1NNC(=O)/C=C1/SCC(=O)N1C 823669589 LEGPWJQAPYSUSV-WEVVVXLNSA-N 295.324 -0.025 50 20 CBGD C#CCN1CCC(C(=O)NN(CC)CCO)CC1 823852430 HRONZRITQSQCQT-UHFFFAOYSA-N 253.346 -0.323 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CCCCN(C)C1=O 823898137 RSFYCMAOUHHSGF-JTQLQIEISA-N 257.334 -0.410 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F 823901711 DTCDKOYPXYLZMQ-PRJMDXOYSA-N 297.277 -0.355 50 20 CBGD COCCOCC(=O)NNC(=O)Cn1ccnc1C(C)C 825137628 VOCKKGHUTGWEOD-UHFFFAOYSA-N 298.343 -0.183 50 20 CBGD CO[C@@H]1COC[C@H]1NC(=O)NNC(=O)C1CCC1 827476970 FRYDMTBOVGZGTO-RKDXNWHRSA-N 257.290 -0.469 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1nccn(C)c1=O 831611325 SHGUCDNRGADHFL-SFYZADRCSA-N 295.299 -0.642 50 20 CBGD CC[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)N1CCCC1=O 843650841 HXQUFGBQLRYXMU-GMTAPVOTSA-N 297.355 -0.040 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)C1CC1)C1CC1 843752122 KBPCAXLFORMBLK-JTQLQIEISA-N 265.313 -0.055 50 20 CBGD CCNC(=O)NNC(=O)C12CC(C(=O)OC)(C1)C2 843775304 VFOKBALWDGDEAR-UHFFFAOYSA-N 255.274 -0.320 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCS1(=O)=O)c1cccnc1 847282852 CAMIUSBZCLBAOI-VIFPVBQESA-N 283.309 -0.580 50 20 CBGD CCNC(=O)NNC(=O)c1ccnc(NC)c1[N+](=O)[O-] 847390718 KRZRXVPTGIHZLU-UHFFFAOYSA-N 282.260 -0.005 50 20 CBGD O=C(NN=C1CCCn2ccnc21)C(=O)NC1CC1 848401944 OMWSREAVXUCMQA-UHFFFAOYSA-N 261.285 -0.224 50 20 CBGD O=C(NN=Cc1cocn1)[C@@H]1CN2CCC[C@@H]2CO1 853389932 DYQBSBXNWRGUJR-MNOVXSKESA-N 264.285 -0.012 50 20 CBGD CCC[C@@H](C(=O)NNC(=O)C1CC1)S(N)(=O)=O 854180662 PHJPFZXPLLEJFW-ZETCQYMHSA-N 263.319 -0.999 50 20 CBGD CS(=O)(=O)CCC(=O)NNC(=S)NCC1CCC1 855091840 GCLVAYVEJGHTQH-UHFFFAOYSA-N 293.414 -0.284 50 20 CBGD COC(=O)NNC(=O)C1(S(C)(=O)=O)CCCC1 856757201 LHNGQQLTKORQOL-UHFFFAOYSA-N 264.303 -0.269 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ncoc1-c1ccon1 857105480 MAFFFJMYGOWOKL-UHFFFAOYSA-N 279.256 -0.348 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NC[C@H]1COCCN1 861680494 JMMDHCJGGXSRBG-QMMMGPOBSA-N 258.322 -0.649 50 20 CBGD C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862454597 WKCURNVGFOLUMM-ZRUFSTJUSA-N 296.371 -0.326 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2[C@H]3CCCC[C@H]32)N1 862456044 LYXIRJWQNHVCHN-LOKLDPHHSA-N 265.313 -0.151 50 20 CBGD CC(C)[C@@H](CO)ONC(=O)c1cc(B(O)O)ccc1F 863885526 JTHICRNJZNKJSS-LLVKDONJSA-N 285.080 -0.816 50 20 CBGD C#CCC(C)(C)C(=O)NNC(=O)CN1CCCC1=O 913732169 KTXJFAUKLNQPQS-UHFFFAOYSA-N 265.313 -0.194 50 20 CBGD O=C(NNC(=O)c1cc(Cl)ccc1O)c1n[nH]c(O)n1 918319633 TXYPHDOEZDQTPT-UHFFFAOYSA-N 297.658 -0.056 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)NCC(F)(F)F 918707021 CTTWWTZNGUBNDL-BYPYZUCNSA-N 270.211 -0.596 50 20 CBGD CC(=O)NCC(=O)NCC(=O)NN(C)c1ccccc1 918759918 CUZKRKJJTPEONZ-UHFFFAOYSA-N 278.312 -0.594 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CCNC(C)(C)C 929450534 WRFXEIIBLVLSRQ-UHFFFAOYSA-N 272.349 -0.563 50 20 CBGD CC(C[C@@H]1CCC(=O)N1)=NNC(=O)[C@@H]1CCC(=O)N1 1118889568 MPKKLTYNXMASQB-IUCAKERBSA-N 266.301 -0.574 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@@H]1CCS(=O)(=O)C1 1253374198 GYCSXOHHCNZXMZ-JGAIRUGNSA-N 258.299 -0.266 50 20 CBGD CSCC[C@H](NC(N)=O)C(=O)NNC(=O)N(C)C 1328739474 BBQKHSULOOJLLF-LURJTMIESA-N 277.350 -0.921 50 20 CBGD CCc1nc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)co1 1331312124 GFXQUXPSAXVPCU-MRVPVSSYSA-N 295.299 -0.654 50 20 CBGD CC[C@H](C(=O)NNC(=O)C1CCOCC1)[C@H](C)O 1333588909 TVACBBMMBLDPQN-WPRPVWTQSA-N 258.318 -0.033 50 20 CBGD COC(=O)CN(C)CCNS(=O)(=O)CCCCl 1349763981 BCLYAELGFCLEON-UHFFFAOYSA-N 286.781 -0.361 50 20 CBGD COC[C@@H](C)NC(=S)NNC(=O)c1cn[nH]c1 1351653557 PFCISLDYIDEZHK-ZCFIWIBFSA-N 257.319 -0.447 50 20 CBGD C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNC(=O)CCCN 1576759101 PAWDWLOOKCNJOV-PRHODGIISA-N 279.344 -0.038 50 20 CBGD Cn1cc(C(=O)NN[C@@H](C(=O)O)c2ccsc2)nn1 1600931906 HFIUVZWTLREDQQ-MRVPVSSYSA-N 281.297 -0.063 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCC(C)(C)CC(=O)O)nn1 1600932962 WJKDBEFDFLMUPX-UHFFFAOYSA-N 298.303 -0.740 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@H](C)C(=O)O)n1 1605320567 QTUBGQWAJDKZCT-ZETCQYMHSA-N 251.242 -0.128 50 20 CBGD O=C(O)CCN1CCC(=NNC(=O)[C@@H]2CCC(=O)N2)CC1 1608723116 HTJKOSJPWJYJEW-JTQLQIEISA-N 296.327 -0.692 50 20 CBGD Cn1nc(C(=O)O)cc1C=NNC(=O)c1cccnn1 1776103269 AZZQXUADGBPVSM-UHFFFAOYSA-N 274.240 -0.328 50 20 CBGD Cc1ccnc2nc(C(=O)NNC(=O)c3ccccn3)nn12 29505356 DSFQRKSTBCOYAT-UHFFFAOYSA-N 297.278 -0.097 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)NCC1CC1 139388180 ALFQVTLFMSWOEE-UHFFFAOYSA-N 254.290 -0.651 50 20 CBGD Cn1ncc(C(=O)NNC(=O)N2CCOCC2)c1C1CC1 141531258 MTSQTQFJJSKUTM-UHFFFAOYSA-N 293.327 -0.016 50 20 CBGD O=C(NCCn1cc([N+](=O)[O-])cn1)NNc1cccnn1 177942378 RLTRSVJJOWSSFJ-UHFFFAOYSA-N 292.259 -0.092 50 20 CBGD CN(NC(=O)[C@@H]1COCCN1C1CCCC1)C(N)=O 193728138 GUEKZKQDVCIFQY-JTQLQIEISA-N 270.333 -0.329 50 20 CBGD CO[C@@H](C)C(=O)NNc1nccc(N2CCOCC2)n1 268583856 KIBDIFQVWPWSON-VIFPVBQESA-N 281.316 -0.209 50 20 CBGD COCCCOCC(=O)NNC(=O)c1cccnc1 271782713 HARMKRUFETYESD-UHFFFAOYSA-N 267.285 -0.104 50 20 CBGD Cc1ccn(CC(=O)NNC(=O)NC(C)C)c(=O)c1 278269211 YJJASPOXBVNBJN-UHFFFAOYSA-N 266.301 -0.104 50 20 CBGD CC[S@](=O)CC(=O)NNC(=O)c1ccccn1 278777193 XMMQKZXDZMBCBV-KRWDZBQOSA-N 255.299 -0.389 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNc1nccnc1OC 372520494 FWQRFVXNYIVGEG-VIFPVBQESA-N 281.316 -0.351 50 20 CBGD COCCOCCS(=O)(=O)NN(C)C(=O)OC 496402933 ZCTKZPGARZVUGW-UHFFFAOYSA-N 270.307 -0.818 50 20 CBGD CCCN1C[C@H](C(=O)NN(C)C(=O)OC)CC1=O 496554056 XNDMJTAVVDGMFT-MRVPVSSYSA-N 257.290 -0.026 50 20 CBGD O=C(COC[C@@H]1CCOC1)Nc1cccc(B(O)O)c1 584912380 MZEWJCGAJVQFDP-SNVBAGLBSA-N 279.101 -0.642 50 20 CBGD CC[C@H](C)[C@@H](O)CNC(=O)c1cccc(B(O)O)c1 584959762 LAFXQDAZKJYIAC-CABZTGNLSA-N 265.118 -0.497 50 20 CBGD O=C(N[C@@H]1C[C@@H]2OCCC[C@H]21)c1ccc(B(O)O)c(F)c1 584979101 KUUWPZQXHFBKSH-BIMULSAOSA-N 293.103 -0.197 50 20 CBGD CC(C)C[C@@H](CO)CNC(=O)c1cc(B(O)O)ccc1F 584984634 ABOXZAVIHYQIQP-SNVBAGLBSA-N 297.135 -0.110 50 20 CBGD CCN(C[C@H](C)O)C(=O)c1cccc(B(O)O)c1 584988260 JGPXWEVKSKHGRV-VIFPVBQESA-N 251.091 -0.791 50 20 CBGD N#CC1(F)CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584988693 RPRDQCJMGIUFAP-UHFFFAOYSA-N 294.066 -0.027 50 20 CBGD Cc1nc([C@@H](C)NC(=O)c2cccc(B(O)O)c2)n[nH]1 584989040 JVWSNTYQCSDYGI-SSDOTTSWSA-N 274.089 -0.716 50 20 CBGD C[C@H](CO)[C@@H](C)NCc1ccc(B(O)O)cc1F 585025527 WJFWYZUCDYVNCW-RKDXNWHRSA-N 255.098 -0.388 50 20 CBGD CSC[C@@H](CCO)NCc1ccc(B(O)O)o1 585028294 IWVLIGAZBLLNHU-MRVPVSSYSA-N 259.136 -0.837 50 20 CBGD C[C@H](C[S@@](C)=O)NCc1ccc(B(O)O)cc1 585034652 LAVGDHRCNHTHLG-VVVCHXIZSA-N 255.148 -0.777 50 20 CBGD CC(C)CC(=O)NCCC(=O)N1CC[C@@H](B(O)O)C1 585078090 VOAHVRYMDVDUOT-SNVBAGLBSA-N 270.138 -0.386 50 20 CBGD NC(=O)CNC(=S)NNC(=O)c1cc2c(s1)CCC2 727066556 QWSIMQHQIJAURC-UHFFFAOYSA-N 298.393 -0.169 50 20 CBGD Cc1[nH]nc2ncc(C(=O)NNC(=O)c3cnn[nH]3)cc12 729457975 YEQBIWKNWMXUDP-UHFFFAOYSA-N 286.255 -0.541 50 20 CBGD COC1CCN(CC(=O)NNC(=O)C2CC2)CC1 733193081 AZJPGOGEUFYSRN-UHFFFAOYSA-N 255.318 -0.345 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)c1ccncc1 746812952 LDYAJUWXZONIEG-MRVPVSSYSA-N 285.325 -0.477 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)NC1CCCC1 746840115 OGRPTBZZUNHTFY-MRVPVSSYSA-N 291.373 -0.060 50 20 CBGD O=C(CN1CCC[C@@H](CO)C1)NNC(=O)C1CC1 748809927 NBUVOQKBKKJXOO-SECBINFHSA-N 255.318 -0.752 50 20 CBGD O=C(CO)NNC(=O)c1ccccc1CN1CCOCC1 754286691 WSJIVBIWIXWGCC-UHFFFAOYSA-N 293.323 -0.728 50 20 CBGD CCS(=O)(=O)NCC(=O)NNC(=O)CC(C)C 758230316 NUBGXGSTMJLMFH-UHFFFAOYSA-N 265.335 -0.881 50 20 CBGD CNC(=O)C1(C(=O)NNc2ncccc2[N+](=O)[O-])CC1 759285555 NAMAISCTKLBKOX-UHFFFAOYSA-N 279.256 -0.041 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@@H](C)CCS(C)(=O)=O 762094438 JQPHPMOKUIQSTR-QMMMGPOBSA-N 279.362 -0.204 50 20 CBGD Cn1ccnc(NNC(=O)[C@H]2CCSC2)c1=O 762543518 BPPJQUFJPCAAAR-ZETCQYMHSA-N 254.315 -0.024 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cnn2ncccc12 765275702 CEUJDGHORPXEGP-UHFFFAOYSA-N 290.283 -0.584 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H](C)[C@H]1CCOC1 771813093 QULZUQUIRWOENS-GUBZILKMSA-N 257.334 -0.053 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc(CC(=O)O)cc1 775249473 SNTWQQQLSYWDPL-UHFFFAOYSA-N 272.282 -0.357 50 20 CBGD CCS(=O)(=O)CC(C)=NNC(=O)N1CCN(C)CC1 790175319 YXJPVTNVLOQYQN-UHFFFAOYSA-N 290.389 -0.246 50 20 CBGD COCCN(C)NC(=O)[C@H]1COCCN1CC(F)(F)F 816561118 MKFCSOPNSAIAOM-SECBINFHSA-N 299.293 -0.141 50 20 CBGD O=C(Cn1nnc2c1CCCC2)NNC(=O)c1ccc[nH]1 816824125 PFWSCHKDDFTIAD-UHFFFAOYSA-N 288.311 -0.054 50 20 CBGD CN(C)S(=O)(=O)CCC(=O)NNC(=O)CC1CC1 819132073 YJIRMWRVWBIWDI-UHFFFAOYSA-N 277.346 -0.785 50 20 CBGD CCN(CCO)NC(=O)c1ccc2nnc(S)n2c1 823885185 ZNDIYKQKBLUKOU-UHFFFAOYSA-N 281.341 -0.023 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H]([C@@H](C)N)C1 843365172 DNFTXOKJRGFNDU-KXUCPTDWSA-N 256.350 -0.399 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1coc(C(N)=O)c1 843970628 IUPURZZKDIHNSO-SVRRBLITSA-N 281.268 -0.436 50 20 CBGD Cc1cc(NNC(=O)Cn2nc(C)n(C)c2=O)nc(C)n1 848371685 RGKYULXVLHKBOP-UHFFFAOYSA-N 291.315 -0.560 50 20 CBGD COCCN(C)NC(=O)c1cn(-c2cccnc2)nn1 848378023 HCNKYJQLIFUIJR-UHFFFAOYSA-N 276.300 -0.115 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@](C)(OC)C(=O)O)n1 852948002 RYUMZHSTRMDIGB-NSHDSACASA-N 284.272 -0.274 50 20 CBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)c1ccc[nH]1 854278455 VYWWXQWCRJKGQY-SECBINFHSA-N 250.258 -0.604 50 20 CBGD O=C(NNC(=O)[C@H]1CCCc2nn[nH]c21)[C@@H]1CCCCO1 854682489 BTFPCOMUKOSVNG-WPRPVWTQSA-N 293.327 -0.059 50 20 CBGD CC(=O)N1CC[C@@H](NS(=O)(=O)CBr)C1 856758542 GYKWGZYGXZMWHM-SSDOTTSWSA-N 285.163 -0.121 50 20 CBGD CSCCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858231131 NMHZRDHXSOEYFF-SSDOTTSWSA-N 274.346 -0.652 50 20 CBGD CC1CC(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858286745 RVFAJEOTWJIJLA-KAVNDROISA-N 254.290 -0.606 50 20 CBGD CN(NC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 858693889 BEVCMJKYEGKKNM-SNVBAGLBSA-N 291.311 -0.353 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CC=CCC2)N1 862449844 KRBMYBXQESLBAT-IUCAKERBSA-N 251.286 -0.231 50 20 CBGD CCO[C@H](CC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(C)C 862457161 BVPVNOQDOMNWGR-NXEZZACHSA-N 285.344 -0.136 50 20 CBGD CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862458210 AJDXDGUHZXPHRN-QXFUBDJGSA-N 271.317 -0.527 50 20 CBGD CC(Cl)(Cl)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862460703 HTHRLQFUTOIBPU-BYPYZUCNSA-N 268.100 -0.394 50 20 CBGD C[C@]1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCCCO1 862460921 LHLHOSSYEALHCJ-PRHODGIISA-N 269.301 -0.628 50 20 CBGD CC(=O)N[C@H](CC1CCC1)C(=O)NNC(=O)c1cn[nH]c1 862470110 IISORBPCXFVCFB-LLVKDONJSA-N 293.327 -0.134 50 20 CBGD CCc1nn(C)cc1C(=O)NNC(=O)c1cn[nH]c1 862470419 DLIMCSRNTGGGBW-UHFFFAOYSA-N 262.273 -0.220 50 20 CBGD O=C1CC[C@H](C(=O)NNS(=O)(=O)c2cccs2)N1 863413592 JUFQIQJPPBBVSP-ZCFIWIBFSA-N 289.338 -0.664 50 20 CBGD CN1C(=O)CCC[C@@H]1C(=O)NNC(=O)c1ccc[nH]1 905337964 BCYQQTJMHPMUFM-SECBINFHSA-N 264.285 -0.213 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@@H]1COCCO1 918366913 YUTJVDMUOVQIIT-YFKPBYRVSA-N 256.180 -0.498 50 20 CBGD CCN(CC)C(=O)CNC(=O)NNC(=O)c1ccc[nH]1 920813984 BTCYIQJTKVCXSC-UHFFFAOYSA-N 281.316 -0.173 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H]1COCO1 923842940 KOTCQARVPCJVOG-XHNCKOQMSA-N 273.289 -0.885 50 20 CBGD CC(C)(C)NCC(=O)NNC(=O)CNC(=O)c1ccco1 1115969946 RDFURLRFUSCNRT-UHFFFAOYSA-N 296.327 -0.455 50 20 CBGD COCc1ccc(CNC(=O)NNC(=O)C(=O)OC)cc1 1116182194 XQDZCVPJRWMWKX-UHFFFAOYSA-N 295.295 -0.164 50 20 CBGD N#Cc1cccc(NC(=O)C(=O)NNC(=O)CCO)c1 1116599619 AYQZSBDJCVGRPD-UHFFFAOYSA-N 276.252 -0.973 50 20 CBGD Cn1c(C(=O)N2CC[C@@H](B(O)O)C2)cnc1Cl 1119541507 YUTZHAVEFLZNPY-ZCFIWIBFSA-N 257.486 -0.238 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCC=C(Cl)Cl)N1 1263649622 GGNGISUEVDKPOO-YFKPBYRVSA-N 295.126 -0.086 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CCCN(C(N)=O)C1 1317708170 AKXAAGAICCORHZ-QMMMGPOBSA-N 285.373 -0.542 50 20 CBGD CN(C)N(C(=O)[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1318459072 JSZIRPWIOVULHL-ZJUUUORDSA-N 276.358 -0.485 50 20 CBGD O=C(CCc1nc[nH]n1)NNC(=O)c1ccncc1 1320358691 QDUBCFMMDGHORY-UHFFFAOYSA-N 260.257 -0.407 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@@H](CO)COC(C)=O 1321088469 NXINAGKODYFLRV-ZKXNXJMVSA-N 256.258 -0.529 50 20 CBGD CSCCNC(=S)NNC(=O)[C@]1(F)CCOC1 1324046305 OUDDSQBQBVECLH-VIFPVBQESA-N 281.378 -0.027 50 20 CBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccnc(O)c1 1329110667 NFYNTNZDNGUAJB-SECBINFHSA-N 262.269 -0.094 50 20 CBGD CN(C)N(C(=O)Cc1ncc[nH]1)[C@H]1CCS(=O)(=O)C1 1331188592 HFGDJCYQEJXVMJ-VIFPVBQESA-N 286.357 -0.556 50 20 CBGD COC[C@@H](CO)NC(=O)NNC(=O)c1cccc(F)n1 1333622938 SNHNQFVHYUKSEK-SSDOTTSWSA-N 286.263 -0.828 50 20 CBGD Cn1nnc2c1C[C@@H](C(=O)NNC(=O)c1ccc[nH]1)CC2 1343483038 KIPBQMPNLKPISC-QMMMGPOBSA-N 288.311 -0.291 50 20 CBGD CCn1cc(CNC(=O)NNC(=O)c2ccc[nH]2)nn1 1347313753 VTDQMLUOXASFRL-UHFFFAOYSA-N 277.288 -0.230 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(N)=O)nc1 1349455941 NYIBFTHEPJTWJJ-CBAPKCEASA-N 292.295 -0.634 50 20 CBGD O=C(NNC(=O)[C@@]1(C(=O)O)CCCO1)c1ccccn1 1574579093 UMERDHRUUATQTO-GFCCVEGCSA-N 279.252 -0.524 50 20 CBGD NCCC(=O)NNC(=O)[C@H]1CCN(c2ccncc2)C1 1580281890 WSIXCEODPDQKDM-JTQLQIEISA-N 277.328 -0.596 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cc(C(=O)O)nn1C 1589908329 GJFBOMYJUZKSKJ-UHFFFAOYSA-N 269.261 -0.576 50 20 CBGD CS(=O)(=O)CC(=O)NN=Cc1cccn1CC(=O)O 1599747431 WBHMIBKICHGUKP-UHFFFAOYSA-N 287.297 -0.933 50 20 CBGD CC(C)(CNC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)C(=O)O 1603632508 SRVDLHQUPXTPJR-HRDYMLBCSA-N 299.327 -0.005 50 20 CBGD Cc1nnc(NNC(=O)C2(C(=O)O)CC=CC2)nc1O 1605444303 FYYREDZYMSQWTN-UHFFFAOYSA-N 279.256 -0.250 50 20 CBGD CCOC[C@H](NC(=O)NNC(=O)C(=O)O)C(C)C 1605623203 BOKFHNPJKIHJEI-ZETCQYMHSA-N 261.278 -0.538 50 20 CBGD CC(=O)N[C@H](C(=O)NNC(=O)c1c[nH]nc1C)C(C)C 109859035 USJYJPCRVFRLJM-JTQLQIEISA-N 281.316 -0.360 50 20 CBGD CN(NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)C(N)=O 271289728 LXDXDOHNDXVUHY-LDWIPMOCSA-N 272.330 -0.518 50 20 CBGD CNC(=O)COc1cccc(CC(=O)NNC(=O)OC)c1 274273652 HKPBQHMGTMIIMZ-UHFFFAOYSA-N 295.295 -0.259 50 20 CBGD CN1CC[C@@H](NC(=O)NNc2nc3ccccn3n2)C1=O 276818584 GHPJZZMBTGGYPS-MRVPVSSYSA-N 289.299 -0.414 50 20 CBGD COc1cc(C(=O)NNC(=O)CC2CC2)nn1C 294050433 FPMWTPYSYXZTHW-UHFFFAOYSA-N 252.274 -0.010 50 20 CBGD O=C(NCC[C@H]1CCCO1)c1ccc(B(O)O)c(F)c1 584927110 LZEAYDULGRIHEV-SNVBAGLBSA-N 281.092 -0.196 50 20 CBGD CC[C@H](C)N(C)CCNC(=O)c1cccc(B(O)O)c1 584939717 KIKNMBHLNWCSRL-NSHDSACASA-N 278.161 -0.174 50 20 CBGD C[C@H](NC(=O)c1ccc(B(O)O)cc1)[C@@H](C)n1cncn1 584943297 HMAYATWNSLRGMI-VHSXEESVSA-N 288.116 -0.663 50 20 CBGD O=C(N[C@H]1CC[C@H](CO)CC1)c1ccc(B(O)O)c(F)c1 584963808 YIYCQGCHSRSBCR-HOMQSWHASA-N 295.119 -0.214 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)[C@H](C)CN1C 584969316 LEWNQCJSVHYKMQ-GHMZBOCLSA-N 276.145 -0.469 50 20 CBGD CC(C)OCC[C@@H](C#N)NC(=O)c1ccc(B(O)O)cc1 584974388 OAUOGQRKDRCIMQ-ZDUSSCGKSA-N 290.128 -0.197 50 20 CBGD CC[C@@H](C)[C@H](O)CNCc1ccccc1B(O)O 585023296 FYFDKTCLZFPRMW-ZWNOBZJWSA-N 251.135 -0.137 50 20 CBGD OC[C@@H](Cc1ccc(F)cc1)NCc1ccc(B(O)O)o1 585038050 QREINQAPHSERDH-GFCCVEGCSA-N 293.103 -0.208 50 20 CBGD OC[C@@H]1CCC[C@H](CNCc2ccc(B(O)O)o2)C1 585040249 CZCKGVGJMDEODC-WDEREUQCSA-N 267.134 -0.152 50 20 CBGD Cn1nc2c(c1CNCc1ccc(B(O)O)o1)CCCC2 585042348 BAARNPCPJIALSK-UHFFFAOYSA-N 289.144 -0.139 50 20 CBGD OC[C@@H](CNCc1ccc(B(O)O)cc1)CC1CC1 585047084 GKPAPWBEBHDLIS-CYBMUJFWSA-N 263.146 -0.135 50 20 CBGD O=C(NCB(O)O)[C@H]1CCCN1Cc1ccccc1 585060104 NCMKJUSFLLTAMZ-GFCCVEGCSA-N 262.118 -0.221 50 20 CBGD O=C(NCCCN1C(=O)CNC1=O)NNc1ncccn1 731118789 VXGNGMRPMPPVSJ-UHFFFAOYSA-N 293.287 -0.955 50 20 CBGD CCC(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 734806887 OFAQBPMRFHUSMY-UHFFFAOYSA-N 297.336 -0.308 50 20 CBGD CCO[C@@H](CC)C(=O)NNC(=O)C(=O)Nc1ccccn1 758841248 OQFVQMPWUMATGR-VIFPVBQESA-N 294.311 -0.017 50 20 CBGD O=C(NNC(=O)c1cnn2ncccc12)NC1CC1 765252965 QTQQTDNEVIIDJQ-UHFFFAOYSA-N 260.257 -0.164 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnn(C)c1C 771972426 RXWKPAMNBISTHE-MRVPVSSYSA-N 282.300 -0.169 50 20 CBGD CN1CCN(C(=O)NNC(=O)C[C@@H]2CCCCO2)CC1 773672925 LUYRWMUDSXUSHL-NSHDSACASA-N 284.360 -0.066 50 20 CBGD COC(=O)CNC(=O)NN=C1CCCc2nn(C)cc21 794529922 HKPHALWMWZROLF-UHFFFAOYSA-N 279.300 -0.067 50 20 CBGD C[C@H]1COC(=O)C1=NNC(=O)CNC(=O)c1ccco1 794906777 XRUFUSIVHVXMDW-ZETCQYMHSA-N 279.252 -0.326 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N[C@H]1C(=O)NCC[C@H]1C 799346942 VCYQSAOZEUWMKO-JFGNBEQYSA-N 298.387 -0.317 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N[C@@H]1C(=O)NCC[C@@H]1C 799346943 VCYQSAOZEUWMKO-NHCYSSNCSA-N 298.387 -0.317 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1ccnnc1 802036567 VQFGGJIDBGPYTD-UHFFFAOYSA-N 258.241 -0.240 50 20 CBGD COCCn1cc(C(=O)NN(C)C(=O)OC)ccc1=O 804121398 GLSVPLONSQGKRJ-UHFFFAOYSA-N 283.284 -0.162 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)COCc1cccnc1 805163125 QYCBLHRGSHOTJD-UHFFFAOYSA-N 294.311 -0.730 50 20 CBGD O=C(CN1CCOCC(F)(F)C1)NNC(=O)C1CC1 808783870 KXXHXSHVZGQNMR-UHFFFAOYSA-N 277.271 -0.489 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(F)(F)[C@@H](CO)C1 812859592 OQQPYYGTOBLWPD-DTWKUNHWSA-N 293.314 -0.118 50 20 CBGD Cn1cnn(CCC(=O)NNc2ccc(C#N)cc2)c1=O 815851635 NXXPEIJBYDAYQV-UHFFFAOYSA-N 286.295 -0.013 50 20 CBGD COCCN(C)NC(=O)[C@@H]1CC(=O)N(CCOC)C1 816561701 IHFGQMGFJMTQKK-SNVBAGLBSA-N 273.333 -0.909 50 20 CBGD CN1CCN(CC(=O)NNc2cccc(Cl)n2)CC1=O 817006928 GHNLWMOJUCRBOV-UHFFFAOYSA-N 297.746 -0.048 50 20 CBGD COC[C@]1(C(=O)NNc2ncccn2)CCNC1 826726414 QEHHIYKLFBHJNJ-NSHDSACASA-N 251.290 -0.454 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@H]1CCCNC1=O 826962822 GWFIKXDUTNWJIS-GUBZILKMSA-N 298.343 -0.732 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1 826971216 IUGNUZPCFDTKNV-BDAKNGLRSA-N 299.327 -0.451 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@@H]1CC(=O)N1 827004871 ASWITFHCVIXTSJ-QMMMGPOBSA-N 263.253 -0.655 50 20 CBGD COc1cc(C)nc(NNC(=O)COCCN)n1 830980847 KRMWWIATOSMLBC-UHFFFAOYSA-N 255.278 -0.788 50 20 CBGD O=C(NNc1ccnc(F)c1)C1(n2cnnn2)CC1 831918892 SVRRQJBHLURWIH-UHFFFAOYSA-N 263.236 -0.160 50 20 CBGD O=C(CSC(F)F)NNC(=O)c1ncon1 832826065 QMCFQSJLDDJFHW-UHFFFAOYSA-N 252.202 -0.214 50 20 CBGD C[C@H]1CC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)CO1 842525754 VUAKKRYLUSDMKX-YUMQZZPRSA-N 260.315 -0.298 50 20 CBGD Cc1nonc1CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 846276854 YFTHOTVZEZRYFY-SFYZADRCSA-N 268.273 -0.507 50 20 CBGD CSCCNC(=S)NNC(=O)[C@H]1CC[C@H]1C(N)=O 847644064 KBAJLDOYTXKSHL-RQJHMYQMSA-N 290.414 -0.644 50 20 CBGD COC[C@@H](OC)C(=O)NNc1nccnc1OC 854954210 WYXCQPBECUQDPP-SSDOTTSWSA-N 256.262 -0.410 50 20 CBGD COC[C@H](OC)C(=O)NNc1nccnc1OC 854954212 WYXCQPBECUQDPP-ZETCQYMHSA-N 256.262 -0.410 50 20 CBGD Cc1cccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 860909669 DAXOYBSMNXRZJK-QMMMGPOBSA-N 277.284 -0.179 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NC[C@@H]1COCCN1 861680493 JMMDHCJGGXSRBG-MRVPVSSYSA-N 258.322 -0.649 50 20 CBGD C[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccco1 862456876 VVBXHKJZBRCTSK-HTQZYQBOSA-N 265.269 -0.191 50 20 CBGD CC[C@H](C)OCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862458128 XVQQUVOSDYCKMJ-JGVFFNPUSA-N 257.290 -0.773 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2C[C@@H]2C2CC2)N1 862463012 WMHLKZSAMOIJSR-VGMNWLOBSA-N 251.286 -0.542 50 20 CBGD CCC[C@@H](CC)S(=O)(=O)NNC(=O)[C@H]1CCC(=O)N1 863413702 XHFRVBYSAVZZAM-RKDXNWHRSA-N 291.373 -0.206 50 20 CBGD CC[C@@H](C)[C@H](C)C(=O)NNC(=O)CS(C)(=O)=O 863464848 VEJLVYXIXSPKIV-SFYZADRCSA-N 264.347 -0.139 50 20 CBGD C#CCCCC(=O)NNC(=O)C1(C(=O)OC)CC1 887146775 KUIHHRPOQYUINL-UHFFFAOYSA-N 252.270 -0.110 50 20 CBGD Cc1ccoc1C(=O)NNC(=O)CN1CCCC1=O 920434237 VVUPJNKHAAMOAM-UHFFFAOYSA-N 265.269 -0.029 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)C[C@@H]1CCOC1 1116268801 LCWSQIAUSDRXGL-YUMQZZPRSA-N 273.289 -0.695 50 20 CBGD CN(NC(=O)c1nn(C)c(=O)c2ccccc12)C(N)=O 1254449154 YHYQEXYXQVVQMM-UHFFFAOYSA-N 275.268 -0.411 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CCC(=O)C[C@H]1C 1261881121 XKGGKMANTUUSOT-MWLCHTKSSA-N 286.328 -0.198 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1ccc(C(N)=O)cc1 1318042942 IQQCMSCUCZQMQY-UHFFFAOYSA-N 286.313 -0.750 50 20 CBGD COCCCCC(=O)NNC(=O)C(=O)NC1CC1 1320793593 BFNYAQMEFHOJNG-UHFFFAOYSA-N 257.290 -0.771 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCC(=O)NC1 1321705808 DJINEMKNBNAWBT-ZETCQYMHSA-N 265.273 -0.995 50 20 CBGD NC(=O)C(=O)NN=Cc1cc2c(cc1O)OCO2 1324231396 QWYHBKLIQTXAFF-UHFFFAOYSA-N 251.198 -0.944 50 20 CBGD COCC(=O)NCCC(=O)N1CC=C(C#N)CC1 1325080154 BHLDZJNKWHJVJQ-UHFFFAOYSA-N 251.286 -0.179 50 20 CBGD O=C(Cn1ccccc1=O)NNC(=O)c1ccnnc1 1325794397 VHWUPTWQHFVWEB-UHFFFAOYSA-N 273.252 -0.901 50 20 CBGD CCC(CC)NC(=O)C(=O)NN=Cc1ncnn1C 1326488035 XVXRJJWUPVUYSD-UHFFFAOYSA-N 266.305 -0.430 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@@]1(C(N)=O)CCOC1 1326821337 GAIILYCVTDAWFC-IOCXFXADSA-N 253.258 -0.809 50 20 CBGD N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O 1328505873 SLDXSMXVCLFHKN-GWZUUTHWSA-N 275.264 -0.738 50 20 CBGD Cc1ncncc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1329539006 MBZDZYXRUQVTPI-BDAKNGLRSA-N 264.285 -0.029 50 20 CBGD CN(CCCF)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1331975384 FPAOAOXVVMKCGJ-SSDOTTSWSA-N 260.269 -0.703 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1cncnc1 1332468662 IOZLPLVWCIFUFK-GXSJLCMTSA-N 278.312 -0.018 50 20 CBGD COC(=O)[C@H]1C[C@@H](C(=O)NNC(=O)N2CCOCC2)C1 1335740762 ANNUBYYDSBIGSX-DTORHVGOSA-N 285.300 -0.741 50 20 CBGD O=C(Cc1nc2ncccn2n1)NNC(=O)c1ccc[nH]1 1337587892 IQJMLPOZPWZVRB-UHFFFAOYSA-N 285.267 -0.544 50 20 CBGD O=C(C[C@@H]1CCCC(=O)N1)NNC(=O)C1CCOCC1 1338185505 BZHAYAXEJNKLAV-JTQLQIEISA-N 283.328 -0.381 50 20 CBGD COC(=O)C(=O)NN=Cc1ccc(OCC(N)=O)cc1 1339879411 VGSUWZYGNZGTGO-UHFFFAOYSA-N 279.252 -0.826 50 20 CBGD Cc1nc(O)[nH]c1C(=O)NNC(=O)NCC(F)(F)F 1346470037 SMLIWCNYOXAJCB-UHFFFAOYSA-N 281.194 -0.070 50 20 CBGD CCN(CCO)NC(=O)c1ccc(-c2nn[nH]n2)nc1 1590714783 XNYDYOIGQYSAJZ-UHFFFAOYSA-N 277.288 -0.779 50 20 CBGD COc1cc(C=NNC(=O)CO)ccc1-c1nn[nH]n1 1591523631 YRIKGNBREFBFMX-UHFFFAOYSA-N 276.256 -0.682 50 20 CBGD Cn1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)nn1 1592565909 MXFXZNAQMIVALE-UHFFFAOYSA-N 285.271 -0.248 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)COCC(=O)O)n1 1594666826 YZNRFZOCDGWSFK-UHFFFAOYSA-N 275.652 -0.744 50 20 CBGD CCC(CC)(NCC(=O)NNC(=O)C1CC1)C(=O)O 1595101533 UETXIELRVTZOIQ-UHFFFAOYSA-N 271.317 -0.223 50 20 CBGD CCCN1CCC(CNC(=O)NNC(=O)C(=O)O)CC1 1595903142 LCYCLVJIMDOIGW-UHFFFAOYSA-N 286.332 -0.477 50 20 CBGD O=C(NCC1(C(=O)O)CCCC1)c1cccc(B(O)O)c1 1601470873 QMSBFXUXSAYXJE-UHFFFAOYSA-N 291.112 -0.259 50 20 CBGD COC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)c(O)c1 1604951336 QYRSPYVUIDQYGU-UHFFFAOYSA-N 278.228 -0.427 50 20 CBGD CC(C)CS(=O)(=O)CC(=O)NNc1cnccn1 114878207 FVFZGBYLYJXCDQ-UHFFFAOYSA-N 272.330 -0.010 50 20 CBGD CC(=O)CCC(=O)NNC(=O)CNC(=O)c1cccs1 263691003 LFHQMPNKPRWLLZ-UHFFFAOYSA-N 297.336 -0.006 50 20 CBGD CCN(CC)S(=O)(=O)NNC(=O)Cc1cccnc1 264724874 BUCXBRSCLCMNGW-UHFFFAOYSA-N 286.357 -0.169 50 20 CBGD CNS(=O)(=O)CC(=O)NNC(=O)c1ccccc1C 267677085 LCVXPDNHQWBFBL-UHFFFAOYSA-N 285.325 -0.695 50 20 CBGD COCC(=O)N(C)CC(=O)NNC(=O)c1ccccc1C 270213169 JYAGGNKFWMCVIL-UHFFFAOYSA-N 293.323 -0.139 50 20 CBGD O=C(NNC(=O)[C@@]1(O)CCSC1)c1ccccn1 270800941 NLWPKMSMAAAYKC-LLVKDONJSA-N 267.310 -0.289 50 20 CBGD CC(C)OCCCC(=O)NNC(=O)C(=O)NC1CC1 273050404 KHTMFALLBKBCET-UHFFFAOYSA-N 271.317 -0.382 50 20 CBGD COc1ncncc1NC(=O)NNC(=O)CN(C)C 273887037 APDCHNUCRIVSDU-UHFFFAOYSA-N 268.277 -0.801 50 20 CBGD COC(=O)C1(C(=O)NNC(=O)c2ccc[nH]2)CC1 274311432 QSTUQZAEALTTLC-UHFFFAOYSA-N 251.242 -0.271 50 20 CBGD NC(=O)[C@H]1CC[C@@H](CNC(=O)NNc2cccc(F)n2)O1 287049185 MTNBHOUUFRGVSS-JGVFFNPUSA-N 297.290 -0.120 50 20 CBGD CSSCCNC(=O)NNC(=O)C(=O)NC1CC1 287784867 KJJRIAJIBUSUKS-UHFFFAOYSA-N 292.386 -0.393 50 20 CBGD CCn1ncc(C(=O)NNC(=O)[C@@H]2CCCO2)n1 294120900 STRIXQHZDWQMBG-QMMMGPOBSA-N 253.262 -0.762 50 20 CBGD COCCN(C)NC(=O)c1c(OC)ncnc1OC 294561065 XGQMGCDMKILXIU-UHFFFAOYSA-N 270.289 -0.283 50 20 CBGD COC(=O)NNS(=O)(=O)c1cnc(Cl)n1C 493265683 GJXQJALYNCDFNP-UHFFFAOYSA-N 268.682 -0.377 50 20 CBGD CC[C@@H](C)[C@H](O)C(=O)Nc1cccc(B(O)O)c1 584912000 KBIFXODSGQXDCN-KCJUWKMLSA-N 251.091 -0.288 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCCC[C@H]1CCO 584931497 XKDWFFGSTFQJKZ-ZDUSSCGKSA-N 277.129 -0.257 50 20 CBGD COCC1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584946054 WLLKAYCHJKKANA-UHFFFAOYSA-N 277.129 -0.135 50 20 CBGD CC[C@H]1COCCN1C(=O)c1cccc(B(O)O)c1 584951800 PCGTZKAPLLKSAT-LBPRGKRZSA-N 263.102 -0.383 50 20 CBGD CC[C@H](C)[C@@H](O)CNC(=O)c1cc(B(O)O)ccc1F 584959731 KVIBQNVOVKZDNX-UFBFGSQYSA-N 283.108 -0.358 50 20 CBGD CO[C@]1(C)CCN(C(=O)c2cccc(B(O)O)c2)C1 584997462 CPRAUVAYBOZNII-CYBMUJFWSA-N 263.102 -0.383 50 20 CBGD O=C(N[C@@H]1CCC[C@H]1O)c1ccc(B(O)O)c(F)c1 584997737 IQDDALBSACWXCC-GHMZBOCLSA-N 267.065 -0.851 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@H]2C[C@H](CO)[C@H]2C1 585010061 IRXNZBMXQPXFTL-LNLATYFQSA-N 293.103 -0.794 50 20 CBGD C[C@@H](CCn1cncn1)NCc1ccc(B(O)O)cc1F 585017333 ABLVOYXWIVDAMY-JTQLQIEISA-N 292.123 -0.335 50 20 CBGD OB(O)c1ccc(CNC[C@@H]2CCC[C@H]2O)c(F)c1 585026508 HQFWLXBBHIXWNO-GXFFZTMASA-N 267.109 -0.244 50 20 CBGD C[C@H](NCc1cccc(B(O)O)c1)[C@@H]1CN(C)CCO1 585028430 KCHHFMKKCSCISV-FZMZJTMJSA-N 278.161 -0.825 50 20 CBGD OB(O)c1ccc(CNCCOC[C@@H]2CCCO2)c(F)c1 585029786 UOLXUCCKFSAYDM-ZDUSSCGKSA-N 297.135 -0.209 50 20 CBGD CCNC(=O)[C@H](C)NCc1ccc(B(O)O)cc1F 585032589 JLMDBXFUPZRACC-QMMMGPOBSA-N 268.097 -0.880 50 20 CBGD C[C@@]1(c2nc(-c3ccc(B(O)O)cc3)no2)CNC(=O)C1 585055075 QIFRDHBTVNHWLW-ZDUSSCGKSA-N 287.084 -0.806 50 20 CBGD CCN(CC)S(=O)(=O)N1CC[C@H](B(O)O)C1 585058100 SSWAFVRXEPEIPB-QMMMGPOBSA-N 250.129 -0.878 50 20 CBGD O=C(NCB(O)O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 585059918 GIYPXIFVXQZTQD-JTQLQIEISA-N 297.164 -0.521 50 20 CBGD O=C(c1ccc(-n2ccnn2)cc1)N1CC[C@@H](B(O)O)C1 585066881 SDRFSXKYBKVKAY-LLVKDONJSA-N 286.100 -0.044 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccccn1 728436270 FAWVWMRKVOVXSW-QMMMGPOBSA-N 270.314 -0.531 50 20 CBGD C[C@H](C(=O)NNC(=O)NC1CCCC1)N1CCN(C)CC1 732911467 BHTQYPICWWXSAJ-LLVKDONJSA-N 297.403 -0.105 50 20 CBGD COc1ccnc(NNC(=O)C(C)(C)NC(=O)O)n1 738142719 FUEVFJXUONYNTN-UHFFFAOYSA-N 269.261 -0.026 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2C)o1 752528826 XRDDTGGDBYSSAQ-QMMMGPOBSA-N 265.269 -0.030 50 20 CBGD CCC(CC)n1nccc1C(=O)NNC(=O)CO 753439102 JTRGSDQLIFLNTR-UHFFFAOYSA-N 254.290 -0.003 50 20 CBGD CCn1nccc1C=NNC(=O)C(=O)NC(C)C 753695721 RHHQSROMULQPQZ-UHFFFAOYSA-N 251.290 -0.122 50 20 CBGD O=C(CSCC(F)(F)F)NNC(=O)C(=O)NC1CC1 761219580 IDVYHHXNSWAGQH-UHFFFAOYSA-N 299.274 -0.292 50 20 CBGD CSCCNC(=S)NNC(=O)[C@H]1CCNC(=O)C1 770245276 DSQBEQIVGPPZRB-ZETCQYMHSA-N 290.414 -0.629 50 20 CBGD Cn1nc(C(=O)NNC(=O)CC#N)c2ccccc2c1=O 771875738 SJCLWNVRIXCEHO-UHFFFAOYSA-N 285.263 -0.392 50 20 CBGD Cn1ccc(CC(=O)NNC(=O)c2cccnc2)n1 782549528 RKQVCXZLSXLMFK-UHFFFAOYSA-N 259.269 -0.181 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1C[C@@H]2C[C@@]2(CO)C1 782627282 ZPBBEXMYUPKYKY-ZANVPECISA-N 269.345 -0.506 50 20 CBGD COCCCNC(=O)NNC(=O)c1cncc(O)c1 785955638 MQVYXOOIZIVXSV-UHFFFAOYSA-N 268.273 -0.232 50 20 CBGD CN1CCN(C(=O)NN=C2CCCS(=O)(=O)C2)CC1 790173925 KHTSMAZADAOPNW-UHFFFAOYSA-N 288.373 -0.492 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)CCC(N)=O 796596829 YUVHPRCUOXRBCB-VIFPVBQESA-N 272.349 -0.624 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)C1=O 802028943 GBURYOOLQXQYGH-SECBINFHSA-N 277.284 -0.866 50 20 CBGD Cn1cnc2c(C(=O)NNC(=O)Cc3cc[nH]n3)ccnc21 806809164 XRLYQYWYLHDPMP-UHFFFAOYSA-N 299.294 -0.305 50 20 CBGD COC[C@H](C)[C@H](C)C(=O)NNC(=O)N1CCN(C)CC1 812557230 RNOQRRPSZXEVPJ-QWRGUYRKSA-N 286.376 -0.107 50 20 CBGD CN(NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)C1CC1 819641607 ZIQQYGFXNHVPHX-VDUILEQBSA-N 289.335 -0.081 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@@H]1COCCN1CC(F)F 822841112 TYWDYKLJYNYQFY-QMMMGPOBSA-N 294.302 -0.309 50 20 CBGD C[C@@H](CO)N(C)NC(=O)C(C)(C)CN1CCOCC1 823908001 RMGUFRLMKMKRQQ-NSHDSACASA-N 273.377 -0.311 50 20 CBGD CCCNC(=O)NNC(=O)c1ccn2nnnc2c1 823950340 IIKKVOMQSIXAGF-UHFFFAOYSA-N 263.261 -0.522 50 20 CBGD CC(C)[C@H](NC(=O)O)C(=O)NNc1ccc(C(N)=O)nn1 824135166 CZHNMUSHSNMMSA-QMMMGPOBSA-N 296.287 -0.689 50 20 CBGD C[C@@H]1CN(C2CC2)CC1=NNC(=O)NCC(=O)O 833627812 VDNGIIITYDIUCY-SSDOTTSWSA-N 254.290 -0.160 50 20 CBGD C[C@H](NC(=O)O)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 833739622 LCIAGJSMIWHNTB-XVKPBYJWSA-N 293.279 -0.206 50 20 CBGD COCCN(C)NC(=O)[C@H]1CC(=O)N(C2CC2)C1 837620828 BSTZYIWAUHSRLG-VIFPVBQESA-N 255.318 -0.393 50 20 CBGD C[C@H](N)[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 843365487 MHCASNMAIZUUDO-WCBMZHEXSA-N 254.334 -0.787 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843643599 CRXXRGXXXITYTN-IUCAKERBSA-N 260.290 -0.778 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(CO)cc1 853303310 LDEBESNLHWBWII-VIFPVBQESA-N 299.352 -0.433 50 20 CBGD C=CCCn1cc(C=NNC(=O)NCC(=O)OC)nn1 853331493 VIXRIYAQSVFSKD-UHFFFAOYSA-N 280.288 -0.340 50 20 CBGD Cc1nc(C(=O)NNC(=O)N2CCN(C)CC2)c(C)o1 854383096 VRRUDPMUXMCCMK-UHFFFAOYSA-N 281.316 -0.107 50 20 CBGD CNC(=S)N(C)NC(=O)CN(C)[C@@H]1CCSC1 854923377 SYAJIMPSLYEVSW-MRVPVSSYSA-N 276.431 -0.109 50 20 CBGD C[C@H](C(=O)NNC(=O)CC(F)(F)F)N1C(=O)CCC1=O 855002322 SJVIEHPTTFWQGF-RXMQYKEDSA-N 295.217 -0.376 50 20 CBGD CNC(=O)NCCC(=O)NNC(=S)N[C@@H](C)C1CC1 855097085 JAJOTKOIAQCLNT-ZETCQYMHSA-N 287.389 -0.401 50 20 CBGD COC(=O)COCC(=O)NNC(=S)N[C@H](C)C1CC1 855097732 WYBOQADABVZXDG-SSDOTTSWSA-N 289.357 -0.530 50 20 CBGD NCC(=O)NNC(=O)Nc1cccnc1N1CCCC1 857762873 GYAXZCBAVCHZAK-UHFFFAOYSA-N 278.316 -0.207 50 20 CBGD O=C(CC1(O)CCCC1)NNC(=O)[C@@H]1CCC(=O)N1 862455201 MYOCUVYEEZRHHQ-QMMMGPOBSA-N 269.301 -0.892 50 20 CBGD CC[C@H](SC)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862457206 DALLRPUDNGXAQI-RQJHMYQMSA-N 259.331 -0.446 50 20 CBGD C[C@H](OCC1CC1)C(=O)NNC(=O)c1cn[nH]c1 862473824 AWLYEZWICOMXAC-ZETCQYMHSA-N 252.274 -0.014 50 20 CBGD O=C1CC[C@H](C(=O)NN=Cc2ccc(CO)cc2)N1 863150989 FMMWQYKULJBRCW-LLVKDONJSA-N 261.281 -0.092 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=S)NC2CCC2)N1 863204109 PUUTTWYVDMYAMK-SSDOTTSWSA-N 256.331 -0.687 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc1O 863458819 HKAMGNYHKJUKQS-UHFFFAOYSA-N 286.309 -0.494 50 20 CBGD COCCOCC(=O)NN=Cc1cnc2cnccn12 872401990 QBCSMGFINBHFLV-UHFFFAOYSA-N 277.284 -0.158 50 20 CBGD CN(C)CCCCC(=O)NNC(=O)c1cccnn1 882057808 BDOMSXDSVDCPES-UHFFFAOYSA-N 265.317 -0.031 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)n1 905161522 XFZUVVWHOFWQHB-ZWKOPEQDSA-N 290.323 -0.128 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H](C)N1CCSCC1 910160591 LHTJRUBNQKXSKA-NXEZZACHSA-N 261.391 -0.233 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 910169609 FGEWZVSAQAFGBR-CMPLNLGQSA-N 283.372 -0.021 50 20 CBGD O=C(/C=C\C1CCOCC1)NNC(=O)CN1CCCC1=O 913731044 RMSLAWUYBAIDIC-ARJAWSKDSA-N 295.339 -0.261 50 20 CBGD COCCC[C@@H](C)C(=O)NNC(=O)CN1CCCC1=O 913732365 SMQVJETYHIQDKT-SNVBAGLBSA-N 285.344 -0.181 50 20 CBGD C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CN1CCCC1=O 913733382 HDRQVZHKFNTONC-ZJUUUORDSA-N 281.312 -0.653 50 20 CBGD CCO[C@@H](C(=O)NNC(=O)CN1CCCC1=O)C1CC1 913734105 IBSNCNLXMDFLMT-GFCCVEGCSA-N 283.328 -0.429 50 20 CBGD Cc1ccc(OCC(=O)NNC(=O)NCC#CCO)cc1 923790028 YJRKOLSZJGJUDF-UHFFFAOYSA-N 291.307 -0.300 50 20 CBGD O=C(Cc1cccnc1)NNS(=O)(=O)c1cnc[nH]1 1116102920 OMCGVBZGOVJZIU-UHFFFAOYSA-N 281.297 -0.643 50 20 CBGD CC(=O)NCCCCCC(=O)NNC(=O)C(C)(C)O 1116745672 BHIXYGMBTBKANB-UHFFFAOYSA-N 273.333 -0.399 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1snnc1C 1116760109 AJHCFBBJWHCEKR-UHFFFAOYSA-N 299.356 -0.088 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(=O)NCC1CC1 1118187471 PECDCCSTVNJIKC-WPRPVWTQSA-N 298.343 -0.732 50 20 CBGD O=C(NNC(=O)C1CCOCC1)c1cc2n(n1)CCCO2 1119289251 MQMIPCJQBADDBY-UHFFFAOYSA-N 294.311 -0.147 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2 1123777514 CXUMAZSODJXXPV-DJLDLDEBSA-N 257.290 -0.327 50 20 CBGD O=C(CO[C@@H]1CCOC1)NNC(=O)Cc1ccncc1 1318986371 KNKDTKXMZRQJOQ-LLVKDONJSA-N 279.296 -0.423 50 20 CBGD Cc1c(CCC(=O)NNC(=O)C(=O)NC(C)C)cnn1C 1319516951 ILRYADCDMLTWGQ-UHFFFAOYSA-N 295.343 -0.667 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)NC3CC3)nc21 1319860733 SBRUEWJIZFGHFV-UHFFFAOYSA-N 263.261 -0.143 50 20 CBGD NC(=O)C1(C(=O)NNc2ncnc3[nH]cnc23)CC1 1323270038 RFLDUINKARAKOL-UHFFFAOYSA-N 261.245 -0.939 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccc(C(N)=O)o1 1324248492 QYZXAEUVGAPMDB-UHFFFAOYSA-N 284.272 -0.641 50 20 CBGD COC(=O)c1cc(C=NNC(=O)CCO)n(C)c1C 1327102073 NCDIRCNJZXHTOI-UHFFFAOYSA-N 267.285 -0.047 50 20 CBGD CC(=O)NCCN(C)C(=O)NNC(=O)c1cccc(F)n1 1327564624 ZTGAHTODCWIPQR-UHFFFAOYSA-N 297.290 -0.357 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)c1cccnn1 1329418385 ZQWSSJXBKMVOQI-UHFFFAOYSA-N 263.179 -0.017 50 20 CBGD CCOc1cc(C(=O)NNC(=O)c2cc(C)[nH]n2)[nH]n1 1329626353 NPYQSQLSAOYEQC-UHFFFAOYSA-N 278.272 -0.085 50 20 CBGD Cn1cccc1C(=O)NNC(=O)C[C@H]1C=CS(=O)(=O)C1 1331723387 TVBAMKPIPAQVIZ-SECBINFHSA-N 297.336 -0.266 50 20 CBGD O=C(Cc1ccccc1)NNC(=O)[C@H]1CCC(=O)N1 1331819411 RHNYFIBAMGWCJV-SNVBAGLBSA-N 261.281 -0.345 50 20 CBGD O=C(CN1CCSC1=O)N1CC[C@@H](B(O)O)C1 1331827140 OKHYMASVEJMTOQ-SSDOTTSWSA-N 258.108 -0.770 50 20 CBGD C=CCC[C@H](NCc1ccccc1B(O)O)C(=O)O 1331952240 WQVGVACEPJYSPM-LBPRGKRZSA-N 263.102 -0.125 50 20 CBGD COC(=O)N(C)N=Cc1nc2c(c(O)nc(=O)n2C)n1C 1345381357 RBSQJXKKKUUXCG-UHFFFAOYSA-N 294.271 -0.595 50 20 CBGD C[C@@H](CO)N(C)NC(=O)C1CCN(S(C)(=O)=O)CC1 1352229358 IRLAOYJTNDARDJ-VIFPVBQESA-N 293.389 -0.998 50 20 CBGD C[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(F)F 1548717351 NUBVLWKXLMSOEM-YFKPBYRVSA-N 261.008 -0.111 50 20 CBGD CN(NC(=O)OCc1ccccc1)C(=O)C[C@@H](O)CN 1578505931 CKZHNWCVHMOYOW-LLVKDONJSA-N 281.312 -0.004 50 20 CBGD N[C@@H]1CCCC[C@H]1NC(=O)c1cccc(B(O)O)c1 1580371886 WZQGTOULWWKCCU-VXGBXAGGSA-N 262.118 -0.634 50 20 CBGD O=C(NNC(=O)[C@H]1CCN1)c1cnc(C2CC2)nc1O 1580735834 FSLQYJBKIHVANC-MRVPVSSYSA-N 277.284 -0.818 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cncc(C(=O)O)c1 1589424974 KXEXHYODQXPYKR-UHFFFAOYSA-N 280.240 -0.724 50 20 CBGD O=C(CO)NNC(=O)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C2 1594697582 NEXYYWJSDUZMOD-OKTBNZSVSA-N 256.258 -0.983 50 20 CBGD O=C(CN1CC2CC1(C(=O)O)C2)NNC(=O)C1CC1 1601307241 XLVLRGRVZVEZBP-UHFFFAOYSA-N 267.285 -0.907 50 20 CBGD O=C(O)Cc1occc1C(=O)NNC(=O)[C@H]1CCCO1 1602155198 JVUUKNKEWIEIEO-MRVPVSSYSA-N 282.252 -0.153 50 20 CBGD CNC(=S)N(C)NC(=O)c1ccc(-c2nn[nH]n2)n1C 1604892921 VWTGONZSLPFPHA-UHFFFAOYSA-N 294.344 -0.714 50 20 CBGD CC[C@@H](CNC(=O)c1cccc(B(O)O)c1)C(=O)O 1605039408 MSTUKVOGUDFGLK-QMMMGPOBSA-N 265.074 -0.793 50 20 CBGD NC(=O)C1(C(=O)NNc2ncccc2C(=O)O)CCC1 1605627244 YGVGNOHYFRSXFA-UHFFFAOYSA-N 278.268 -0.122 50 20 CBGD CN(NC(=O)CN1CCC[C@@H](C(=O)O)C1=O)C1CC1 1606179342 OOALMJCPFSQIFD-SECBINFHSA-N 269.301 -0.565 50 20 CBGD COC(=O)CCn1nc(C)c(C=NNC(=O)C(=O)O)c1C 1606462076 BSHPZFWWHMPZMW-UHFFFAOYSA-N 296.283 -0.402 50 20 CBGD COCC1(CCNC(=O)NNC(=O)C(=O)O)CC1 1606838717 CZYMGONOHUFKSN-UHFFFAOYSA-N 259.262 -0.782 50 20 CBGD C[C@H](C(=O)O)C(=O)NNc1ncnc2[nH]cnc12 1609701263 XGZIHSZHYGUKPT-BYPYZUCNSA-N 250.218 -0.483 50 20 CBGD CCc1ncc(C(=O)NNC(=O)C(=O)NC(C)C)s1 49157560 RTTQEBQMODJQRL-UHFFFAOYSA-N 284.341 -0.009 50 20 CBGD Cc1ccc(NNC(=O)N[C@H]2C(=O)NCC[C@@H]2C)nn1 194003315 QPTOKMPEZPJPRB-OIBJUYFYSA-N 278.316 -0.064 50 20 CBGD CCC(CC)N1C[C@@H](C(=O)NNC(=O)NC)CC1=O 264260735 PGPROGCDTXJXQJ-QMMMGPOBSA-N 270.333 -0.016 50 20 CBGD COc1cccc(NC(=O)C(=O)NNC(=O)CN(C)C)c1 274027102 BQVPUOXURKDZFK-UHFFFAOYSA-N 294.311 -0.657 50 20 CBGD CCNC(=O)N(C)NC(=O)C(C)(C)NC(=O)OC 274571563 XXUPNAPLLSIGPA-UHFFFAOYSA-N 260.294 -0.187 50 20 CBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CC2)cc1 298273041 KTPNMRVJJUSWAO-UHFFFAOYSA-N 283.309 -0.495 50 20 CBGD OB(O)c1ccc(OCc2ncnn2CCF)cc1 584910207 OGHZGPVHZWUPQL-UHFFFAOYSA-N 265.053 -0.494 50 20 CBGD COCC1(CNCc2ccccc2B(O)O)CCOCC1 585042352 BAQVEOCGBIUFJQ-UHFFFAOYSA-N 293.172 -0.101 50 20 CBGD CN1CC[C@@H](CNCc2ccc(B(O)O)cc2)CC1=O 585048538 RZWODPCSMAJBSL-GFCCVEGCSA-N 276.145 -0.676 50 20 CBGD O=C(CCCNC(=O)NC1CCCCC1)NCB(O)O 585060201 ATJAPDCGJRUSPX-UHFFFAOYSA-N 285.153 -0.473 50 20 CBGD C[C@@H](Oc1cccnc1)C(=O)N1CC[C@H](B(O)O)C1 585069283 KQGWDOYRHIVCNC-ZJUUUORDSA-N 264.090 -0.076 50 20 CBGD OB(O)[C@H]1CCN(c2nnnn2-c2ccccc2)C1 585074142 UYYJMGBSTOEZJB-VIFPVBQESA-N 259.078 -0.285 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)COc1ccc(F)cc1 726101537 FSQAAVCWNFGFOX-QMMMGPOBSA-N 297.286 -0.124 50 20 CBGD CC(C)CN1C[C@@H](C(=O)NNC(=O)CN(C)C)CC1=O 733361276 XFTWSHYQCCZFAS-JTQLQIEISA-N 284.360 -0.800 50 20 CBGD CN(CC(=O)NNc1cnccn1)c1ncnc2[nH]cnc12 734244323 GDHSXCJUEVAOEV-UHFFFAOYSA-N 299.298 -0.278 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(CC(=O)O)cc1 737542938 LVOCSDWTXYZIRG-UHFFFAOYSA-N 287.297 -0.564 50 20 CBGD CCC(=O)NNS(=O)(=O)C[C@@H]1CCCCO1 740810405 XGLUJPYAKJKJCS-QMMMGPOBSA-N 250.320 -0.084 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NN=Cc1cncn1C 755585361 SKZBJZZNYPFMQH-LLVKDONJSA-N 279.344 -0.162 50 20 CBGD O=C(CCN1CCOCC1)NNc1ncc(F)cn1 760906174 OSBWYIRIHJRKDN-UHFFFAOYSA-N 269.280 -0.219 50 20 CBGD CC(C)[C@@H](F)C(=O)NNC(=O)C(=O)N1CCCC1 784149540 NCKKRWWMGJAPKJ-MRVPVSSYSA-N 259.281 -0.250 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNc1nc2ccccn2n1 791245080 RGNXPVTVNUGVLB-ZETCQYMHSA-N 262.273 -0.303 50 20 CBGD C[C@H]1CSC[C@@H]1NC(=O)NNC(=O)C(=O)NC1CC1 807475644 JDJAHQHDARVSAY-XPUUQOCRSA-N 286.357 -0.653 50 20 CBGD O=C(Cc1cc[nH]n1)NN=C1CCS(=O)(=O)CC1 814955629 PEKKQJVIAOMCDR-UHFFFAOYSA-N 270.314 -0.367 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NOCC(F)F 826663241 AYIQLJCPPVECFT-PHDIDXHHSA-N 267.232 -0.062 50 20 CBGD CC[C@@H]1CN(CC(=O)NNC(=O)C(C)C)CCO1 827400324 GVOZFRLFGHBHEB-SNVBAGLBSA-N 257.334 -0.099 50 20 CBGD CCNC(=O)N(C)NC(=O)C1(OC)CCNCC1 843495086 ZEHNIBBSVCZMRI-UHFFFAOYSA-N 258.322 -0.553 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(C)(C)C(N)=O 843970680 JLRPEHNDAJPUTC-BQBZGAKWSA-N 257.290 -0.930 50 20 CBGD CC(C)n1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 861046948 HUUSRXKHGHIWMD-QMMMGPOBSA-N 294.315 -0.105 50 20 CBGD C[C@@H](OCC1CC1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862453660 LXZMEGPAIXYVRK-APPZFPTMSA-N 269.301 -0.773 50 20 CBGD CCC(C)(C)OCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862462034 SXQXYHGPRZRCDN-MRVPVSSYSA-N 271.317 -0.382 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@]12CCOC2)c1cn[nH]c1 862470406 DETUIXWYYRYROR-KCJUWKMLSA-N 250.258 -0.403 50 20 CBGD O=C(NNC(=O)c1n[nH]c2c1CCC2)c1cn[nH]c1 862475056 XJEYTJMWVNYNTI-UHFFFAOYSA-N 260.257 -0.304 50 20 CBGD Cc1cccc(NNC(=O)CNS(=O)(=O)N(C)C)n1 862519600 LPAOIRYWGJZJMS-UHFFFAOYSA-N 287.345 -0.771 50 20 CBGD COCCN(C)NC(=O)/C=C/CN1CCOCC1 868242153 DHISUEDHHNQMDB-ONEGZZNKSA-N 257.334 -0.516 50 20 CBGD COCCOCC(=O)NNC(=O)c1cncc(C)c1 869910637 WOWJRWSKEBAGIC-UHFFFAOYSA-N 267.285 -0.186 50 20 CBGD COc1ccc(NC(=S)NNC(=O)[C@H](C)O)cn1 874954660 ZGXVZWIBGLFLPW-LURJTMIESA-N 270.314 -0.211 50 20 CBGD O=C(CNCC(F)(F)F)NNC(=O)c1cccnn1 882058759 KMEKMJDOVGQGMQ-UHFFFAOYSA-N 277.206 -0.611 50 20 CBGD COC[C@H](NC(=O)[C@@]1(C)C[C@H]1Br)C(N)=O 907152129 YFYTXTRNAYDJSS-MYINAIGISA-N 279.134 -0.224 50 20 CBGD CC(=O)N1CC[C@](C)(C(=O)NN(C)C[C@H](C)O)C1 910161750 ANJHVRZFRPIXRD-CABZTGNLSA-N 257.334 -0.411 50 20 CBGD O=C(N=S1(=O)CCCC1)c1ccc(B(O)O)cc1 925944687 SMDUPGDNXSKQPQ-UHFFFAOYSA-N 267.115 -0.232 50 20 CBGD COC(=O)c1ccccc1NC(=O)C(=O)NNC(C)=O 1116598545 LAJXJXIFPOTUPM-UHFFFAOYSA-N 279.252 -0.421 50 20 CBGD COCCN(C)c1ccc(C=NNC(=O)C(N)=O)cn1 1116744007 IEDMYPVYFZIJQI-UHFFFAOYSA-N 279.300 -0.900 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(F)cn1 1116804023 CHPCFASZBJGQCF-UHFFFAOYSA-N 254.221 -0.283 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)c1cccn1C 1118218951 PQCAKVRZZQHLBB-IUCAKERBSA-N 279.296 -0.220 50 20 CBGD CCn1nc(C(=O)NNC(=O)c2cnn(C)c2)ccc1=O 1318558538 QXLBUAJSBYTQRQ-UHFFFAOYSA-N 290.283 -0.929 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1cn2ccccc2n1 1319300225 UAKBQFAXEZWACJ-UHFFFAOYSA-N 291.267 -0.662 50 20 CBGD COCC1(C(=O)NNC(=O)Cc2cc[nH]n2)CCOCC1 1323892043 PBHZLABLEVPZEC-UHFFFAOYSA-N 296.327 -0.457 50 20 CBGD CCn1cc(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)nn1 1327897075 CMGCATQORRYPHS-WPRPVWTQSA-N 296.331 -0.447 50 20 CBGD COC(=O)N(C)NC(=O)c1cnc2n(c1=O)CCS2 1328061233 RUDIBLHMPMACJY-UHFFFAOYSA-N 284.297 -0.308 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1328101740 SJOLMJASTNRCKZ-JTQLQIEISA-N 296.327 -0.289 50 20 CBGD Cn1cnc(C(=O)NNC(=S)NCC2CCC2)n1 1328691348 MJYXPHIXWQMLBR-UHFFFAOYSA-N 268.346 -0.276 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@H]2CCCOCC2)N1 1329189686 ANHNRTIAWMSBFA-IUCAKERBSA-N 284.316 -0.836 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)N[C@@H]1CCNC1 1331568321 HOAQZZSPHARQGQ-SNVBAGLBSA-N 263.301 -0.684 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc2n(n1)CCCC2=O 1333807494 JODYPFQHFMBZIA-UHFFFAOYSA-N 279.300 -0.818 50 20 CBGD N#Cc1ncn(CC(=O)NNC(=O)c2ccncc2)n1 1340639076 PURARVDJBYRLCB-UHFFFAOYSA-N 271.240 -0.994 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1CCC[C@@H]1CCO 1343128852 GCDUXDRFOILCFF-PSASIEDQSA-N 298.343 -0.854 50 20 CBGD COC(=O)C(=O)NN=Cc1cnc(N(C)C)nc1 1343881558 IKNZOHIGACHGKA-UHFFFAOYSA-N 251.246 -0.834 50 20 CBGD O=C1CC[C@@H](C(=O)NN=Cc2cnn3cccnc23)N1 1348412836 ZDRHONNZCIUQKE-VIFPVBQESA-N 272.268 -0.542 50 20 CBGD COC(=O)[C@H]1C[C@@H](C(=O)NNC(=O)[C@@H]2CCCCO2)C1 1354899913 SCINHRWCWACXNP-AEJSXWLSSA-N 284.312 -0.098 50 20 CBGD CC(CCO)=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1 1549315503 BSNCIMHBSBHRSC-QWRGUYRKSA-N 255.318 -0.276 50 20 CBGD COc1ccnc(NNC(=O)[C@]2(C(=O)O)CCCO2)n1 1574238498 SGKOMBNJVIYTLL-NSHDSACASA-N 282.256 -0.438 50 20 CBGD COC(=O)[C@]1(C(=O)NNC(=O)CN)C[C@H]1c1ccccc1 1578778805 XBADTYAKUCNDQL-IINYFYTJSA-N 291.307 -0.561 50 20 CBGD COCC[C@@H](N)C(=O)NNC(=O)c1ccccc1F 1578997411 HBWRQUIJTLAREW-SNVBAGLBSA-N 269.276 -0.050 50 20 CBGD NCCCCCC(=O)NNC(=O)C1=C2CCCN=C2NN1 1580292874 XQTLWQHRAZHJTP-UHFFFAOYSA-N 294.359 -0.793 50 20 CBGD C[C@H](CNC(=O)NNC(=O)c1cn[nH]c1)C(=O)O 1589057098 YWPVXPRFUJPQAU-RXMQYKEDSA-N 255.234 -0.926 50 20 CBGD CCN(C(=O)c1ccc(B(O)O)cc1)[C@@H](C)C(=O)O 1589706457 VGTUKIPWROGJHX-QMMMGPOBSA-N 265.074 -0.698 50 20 CBGD O=C(O)CC[C@H]1C[C@H](C(=O)NNC(=O)C2CC2)CO1 1595003585 FLXODXYDAIAJMQ-IUCAKERBSA-N 270.285 -0.186 50 20 CBGD CN(C)[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)C(=O)O 1598190341 KGNOTISUZGKOJO-HTQZYQBOSA-N 272.305 -0.726 50 20 CBGD NC[C@H](NC(=O)NNC(=O)C(=O)O)C1CCCCC1 1601181585 DAIJZGACOPZKEU-QMMMGPOBSA-N 272.305 -0.691 50 20 CBGD O=C(O)CC[C@H]1C[C@H](C(=O)NNC(=O)c2cn[nH]c2)CO1 1606110828 BJULVVSDIWHHNH-CBAPKCEASA-N 296.283 -0.559 50 20 CBGD COc1ccnc(NNC(=O)c2cc(C(=O)O)on2)n1 1607350526 HEVMAQRBVHHWNJ-UHFFFAOYSA-N 279.212 -0.072 50 20 CBGD CC(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846384515 BUYVVTIMRHOBLA-UHFFFAOYSA-N 296.371 -0.417 50 20 CBGD CN(C)CCNC(=S)NNC(=O)NCC1CC1 144924951 CEOWFSNOFYBMKG-UHFFFAOYSA-N 259.379 -0.364 50 20 CBGD COc1cc(C)nc(NNC(=O)NCC(=O)N(C)C)n1 266937496 HCDVHAXQJNSXDH-UHFFFAOYSA-N 282.304 -0.492 50 20 CBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)N1CCOCC1 268223874 SXFPUGCPSTZHST-MRVPVSSYSA-N 273.289 -0.741 50 20 CBGD CCNC(=O)N(C)NC(=O)Cc1nnc(NC)s1 274545899 TXHSHRTWKKCSPF-UHFFFAOYSA-N 272.334 -0.185 50 20 CBGD C=C[C@](C)(CC)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 276065607 DWRDBJIMGJAPHY-GZMMTYOYSA-N 291.373 -0.326 50 20 CBGD CSSCCNC(=O)Cn1ccc(=O)n(C)c1=O 284117552 OLIOXOKPLDLMEC-UHFFFAOYSA-N 289.382 -0.326 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1ncccn1 497306920 SGRKTFPEBULGIR-UHFFFAOYSA-N 295.299 -0.238 50 20 CBGD CC[C@H](CO)NC(=O)c1cc(B(O)O)ccc1F 584931188 KSNIEYQGARNHRL-MRVPVSSYSA-N 255.054 -0.994 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC(O)CC1 584931321 PZKXZJHXHMCJBW-UHFFFAOYSA-N 267.065 -0.898 50 20 CBGD C[C@@H]1CCN(C)CCN1C(=O)c1ccc(B(O)O)cc1 584945487 IINXYDNFUQNPFB-LLVKDONJSA-N 276.145 -0.467 50 20 CBGD C[C@H]1OCC[C@]1(C)NC(=O)c1ccc(B(O)O)cc1 584974317 UFPBYYDKKIZZDI-RNCFNFMXSA-N 263.102 -0.336 50 20 CBGD CCOC(C)(C)CNC(=O)c1cccc(B(O)O)c1 584977968 VZKCZRNSHIOONV-UHFFFAOYSA-N 265.118 -0.089 50 20 CBGD COC[C@H](C)[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 584992283 NPISMMOTYOHAIG-VHSXEESVSA-N 265.118 -0.233 50 20 CBGD O=C(N[C@@H]1CCC[C@H](CO)C1)c1ccc(B(O)O)c(F)c1 585000689 NOKNVZKPYIOIKS-GXSJLCMTSA-N 295.119 -0.214 50 20 CBGD CC(C)n1cnnc1CCNCc1ccc(B(O)O)cc1 585024907 GXAOIUIIFXLARP-UHFFFAOYSA-N 288.160 -0.129 50 20 CBGD CCCCn1nnnc1CNCc1ccc(B(O)O)o1 585028302 IYONZYYMLJBJGL-UHFFFAOYSA-N 279.109 -0.964 50 20 CBGD CNC(=O)[C@H]1CCC[C@H]1NCc1ccccc1B(O)O 585032692 YPBVEZWLSKHGQA-WCQYABFASA-N 276.145 -0.629 50 20 CBGD OB(O)c1ccc(CNCC[C@@H](O)C(F)(F)F)c(F)c1 585041115 UKGCCTGGCYJGIC-SNVBAGLBSA-N 295.041 -0.092 50 20 CBGD CC1(C)Cc2cc(S(=O)(=O)NCB(O)O)ccc2O1 585055851 KIFXECVTFODFKJ-UHFFFAOYSA-N 285.130 -0.310 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc[nH]1 728437968 YZVBSRXUWAXZLS-ZETCQYMHSA-N 258.303 -0.598 50 20 CBGD CS(=O)(=O)CCNC(=O)NNc1ccc(Cl)nn1 746516555 RIAVLQPUNHQNNZ-UHFFFAOYSA-N 293.736 -0.199 50 20 CBGD Cc1cc(C(N)=O)ccc1NC(=O)NNC(=O)CO 755805659 NWPOXELFKXWLAL-UHFFFAOYSA-N 266.257 -0.761 50 20 CBGD C[C@H](C(=O)NNc1ncc(F)cn1)N1CCN(C)CC1 760914235 JKORDSXDAHRMML-SECBINFHSA-N 282.323 -0.305 50 20 CBGD O=C(CN[C@H](CO)C1CC1)NNC(=O)c1cccs1 771809097 QLWNQPPKFPQQSE-SECBINFHSA-N 283.353 -0.130 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](O)C1CC1 772096000 HSNLRMNRPYLRRW-LDYMZIIASA-N 286.328 -0.118 50 20 CBGD CC#CCCNC(=O)NNC(=O)CNC(=O)c1ccco1 776206414 XWYSRXYNKUZXGA-UHFFFAOYSA-N 292.295 -0.247 50 20 CBGD COc1cccc(CO[C@@H](C)C(=O)NNC(=O)CO)c1 777781705 BKQLLSBPRHUIFC-VIFPVBQESA-N 282.296 -0.260 50 20 CBGD CN1CCN(CC(=O)NNc2cccc(C#N)c2)CC1=O 780948116 DEOJXJBFNOCDTQ-UHFFFAOYSA-N 287.323 -0.225 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCn2cnccc2=O)n[nH]1 794392551 HVAMEHDNYGWIDA-UHFFFAOYSA-N 290.283 -0.874 50 20 CBGD CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)N1CCOCC1 795819071 GSNZBDJKJMODJV-LLVKDONJSA-N 298.343 -0.540 50 20 CBGD CN(NC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C1CC1 819648871 VOTAPODFPNQLIZ-CNVPUSNMSA-N 293.323 -0.726 50 20 CBGD C[C@H](CO)N(C)NC(=O)CCCNC(=O)c1cccnc1 823945937 ASOJYCSGPVZQJS-LLVKDONJSA-N 294.355 -0.065 50 20 CBGD C[C@H](CO)N(C)NC(=O)C1(C(=O)NC2CC2)CCC1 823959857 QZALHSKKJHLBLK-SECBINFHSA-N 269.345 -0.221 50 20 CBGD C[C@H](CC(=O)O)C(=O)NNC(=O)CNC(=O)c1ccco1 827304425 UIZISQSMZZMOSK-SSDOTTSWSA-N 297.267 -0.732 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)[C@@H](CN)C1CC1 843386823 MCTLGOPKWVHPBB-JTQLQIEISA-N 254.334 -0.787 50 20 CBGD COC(=O)[C@H]1[C@@H](O)CCCN1S(=O)(=O)CCl 849386161 AGUARGKFKOEGKO-NKWVEPMBSA-N 271.722 -0.489 50 20 CBGD CN1CCC(CC(=O)NNC(=O)N2CCN(C)CC2)CC1 854379355 YLSYLEBMSQIWSJ-UHFFFAOYSA-N 297.403 -0.294 50 20 CBGD CC(=O)N[C@H](CCC(C)C)C(=O)NNC(=O)CN(C)C 857105607 NVYUHZPOTYUOGR-LLVKDONJSA-N 286.376 -0.364 50 20 CBGD COC[C@@](C)(O)C(=O)NNc1nccnc1OC 857540056 RLTNAKPJUWDSQR-SNVBAGLBSA-N 256.262 -0.674 50 20 CBGD CCOc1nc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)co1 862460776 JTZFLFWANLRTPP-LURJTMIESA-N 282.256 -0.887 50 20 CBGD CC(=O)NCC(=O)NCC(=O)NNc1cccc(C)n1 862523460 FBINSXACPQETGI-UHFFFAOYSA-N 279.300 -0.915 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=S)NCC2CC2)N1 863203590 GGELUGXANHERBS-ZETCQYMHSA-N 256.331 -0.830 50 20 CBGD O=C(Cc1cccc(O)c1)NNC(=O)CN1CCCC1=O 913732129 JDOULAFKKHXRBZ-UHFFFAOYSA-N 291.307 -0.296 50 20 CBGD CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNC(=O)CN1CCCC1=O 913733845 XWQHJCZMNMHTCX-NXEZZACHSA-N 297.355 -0.040 50 20 CBGD CCN1C(=O)c2ccc(C(=O)NN)cc2S1(=O)=O 917609700 FKYAYIFPNQPPQP-UHFFFAOYSA-N 269.282 -0.546 50 20 CBGD CNC(=O)NNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 919879647 PARUGSLUWOHJQU-UHFFFAOYSA-N 292.255 -0.095 50 20 CBGD CCn1nnnc1SCC(=O)NNC(=O)C1CC1 1116132802 QOBGRPLWIIQYLH-UHFFFAOYSA-N 270.318 -0.658 50 20 CBGD COCCC1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 1118806210 QMBJTDJRMIWGMM-SECBINFHSA-N 298.343 -0.588 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1[C@@H](C)[C@H](OC)C1(C)C 1320639110 BBHUFKDSPXOIBF-PRJMDXOYSA-N 287.316 -0.451 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cccnc1 1320726675 STNLRPKBWHKYQV-UHFFFAOYSA-N 265.273 -0.287 50 20 CBGD Cc1nnc(NNC(=O)CCOC[C@H]2CCCO2)nc1O 1322934526 OVKIQCJOKGIATM-SECBINFHSA-N 297.315 -0.086 50 20 CBGD O=C(CN1CCN(C(=O)CCl)CC1)NC1CC1 1323270709 YJYZSJZHZDWOOB-UHFFFAOYSA-N 259.737 -0.352 50 20 CBGD CCOC(=O)[C@@H](CC(C)C)NNC(=O)C(=O)OC 1323660971 CYCBLNZXGIMBSV-MRVPVSSYSA-N 260.290 -0.242 50 20 CBGD COCCN(C)NC(=O)[C@H]1CC12CCS(=O)(=O)CC2 1326806086 PZVLNTMDCIXUIW-SNVBAGLBSA-N 290.385 -0.189 50 20 CBGD CCn1nccc1CNC(=O)NNC(=O)C1CCNCC1 1331152871 MXUGOSWEJDSUBY-UHFFFAOYSA-N 294.359 -0.267 50 20 CBGD CS(=O)(=O)CCC(=O)NNc1ncncc1F 1331201305 MGVCIAOACQXKCW-UHFFFAOYSA-N 262.266 -0.507 50 20 CBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=S)NC(C)C 1331899334 HGBZPZMRHGJHNY-NKWVEPMBSA-N 259.331 -0.301 50 20 CBGD C[C@@H]1COC[C@H]1NC(=O)NNC(=O)C1CCOCC1 1332433639 IMNAICAZDYZSTH-PSASIEDQSA-N 271.317 -0.222 50 20 CBGD COC(=O)C[C@@H](O)CNC(=O)/C(C#N)=C/c1cnn(C)c1 1335347796 JAHKLWBJDQGYQQ-JNZVDCKRSA-N 292.295 -0.633 50 20 CBGD O=C(N1CC[C@H](B(O)O)C1)C12CCCN1CCC2 1335429319 ALBYKPWXPMEJBU-JTQLQIEISA-N 252.123 -0.310 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ncnn1C(C)(C)C 1339965964 HNTMPFUWRIJYFT-UHFFFAOYSA-N 298.303 -0.964 50 20 CBGD Cc1ccc(S(=O)(=O)NNC(=O)c2cnn(C)c2)cn1 1345378023 QIHRZPQVZSXORM-UHFFFAOYSA-N 295.324 -0.253 50 20 CBGD O=C(/C=C\CN1CCOCC1)NNC(=O)[C@H]1CCCNC1 1580493369 FRMVFCPGYKUORZ-QQHVMHFCSA-N 296.371 -0.978 50 20 CBGD C=C[C@@H](NNC(=O)CNC(=O)c1ccco1)C(=O)O 1588700433 IAPLREZXBZNGPX-SSDOTTSWSA-N 267.241 -0.731 50 20 CBGD Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNC(=O)NC(C)C 1591784425 NIUCHTQNKSBRFM-UHFFFAOYSA-N 292.303 -0.144 50 20 CBGD COc1cc(C(=O)O)ccc1NC(=O)NNC(=O)CO 1610286996 PCRHPPNZDJCVND-UHFFFAOYSA-N 283.240 -0.462 50 20 CBGD CCNC(=O)NNC(=O)c1nc2nccc(C)n2n1 49183334 OFNFEDLPQBUXNP-UHFFFAOYSA-N 263.261 -0.603 50 20 CBGD CN(C)c1ccnc(C(=O)NNC(=O)c2cnn(C)c2)c1 117987475 HXZSUGAIILGMJY-UHFFFAOYSA-N 288.311 -0.044 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1COc2ccccc2C1 182758288 LPWUVMIOXZCATC-VIFPVBQESA-N 250.254 -0.623 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)COc1cccnc1 264833112 ZTYGGRWCBRTXFT-UHFFFAOYSA-N 280.284 -0.868 50 20 CBGD COC(=O)C[C@H](C)CC(=O)NNC(=O)c1cnn(C)c1 290079333 ISARFLUCRRWBJO-MRVPVSSYSA-N 282.300 -0.230 50 20 CBGD COC(=O)NCC(=O)NNC(=O)c1cccc(N(C)C)c1 298771577 IIRZTLHBENHUQE-UHFFFAOYSA-N 294.311 -0.130 50 20 CBGD CC1(C)C[C@@H]1NC(=O)NNC(=O)C(=O)N1CCCC1 299534045 SWJCRWNUNIYKOD-QMMMGPOBSA-N 268.317 -0.262 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1COCCN1CC 378541883 GOLBHBLXCVPMAM-SECBINFHSA-N 258.322 -0.600 50 20 CBGD COCCN(C)CCCNC(=O)c1cccc(B(O)O)c1 584927838 BJFHTMLWDCLSCZ-UHFFFAOYSA-N 294.160 -0.936 50 20 CBGD CN(C)[C@H]1CCC[C@@H](NC(=O)c2cccc(B(O)O)c2)C1 584960760 NBXOEIUWESFOIX-KGLIPLIRSA-N 290.172 -0.031 50 20 CBGD O=C(N[C@@H]1CCCc2c[nH]nc21)c1cccc(B(O)O)c1 584962682 JNUNBMNZBVHPFD-GFCCVEGCSA-N 285.112 -0.103 50 20 CBGD CC[C@](C)(CNC(=O)c1ccc(B(O)O)cc1)[C@@H](C)O 584966124 WLMQUQQHQUHYKP-QMTHXVAHSA-N 279.145 -0.107 50 20 CBGD O=C(NC[C@H](CO)C1CC1)c1ccc(B(O)O)cc1 584990650 HEWPVXJNJLBFHG-LLVKDONJSA-N 263.102 -0.885 50 20 CBGD CC[C@H](C)[C@@](C)(O)CNCc1ccc(B(O)O)o1 585024102 QIEAPWZGWFXJRA-CABZTGNLSA-N 255.123 -0.154 50 20 CBGD CN(C)[C@@]1(CNCc2ccc(B(O)O)cc2)CCSC1 585025972 HIECECRINBFNFW-CQSZACIVSA-N 294.229 -0.107 50 20 CBGD CCn1nc(C)c(CNCc2ccccc2B(O)O)n1 585048978 ZGQVPZZVRXDKOM-UHFFFAOYSA-N 274.133 -0.424 50 20 CBGD COCCCOc1ccc(C(=O)NCB(O)O)cc1 585060042 KMYKFVLWJUQAQW-UHFFFAOYSA-N 267.090 -0.156 50 20 CBGD C[C@H](C(=O)NCB(O)O)n1nnc(-c2ccccc2)n1 585060418 QYGIFZCZTIIEIY-MRVPVSSYSA-N 275.077 -0.971 50 20 CBGD O=C(NCB(O)O)c1cccc(OCC(F)(F)F)n1 585062091 CTXQJMZOJAVQIA-UHFFFAOYSA-N 277.995 -0.236 50 20 CBGD CN(C)c1cc(C(=O)N2CC[C@@H](B(O)O)C2)ccn1 585068372 ABMRFKKTVBPWTL-SNVBAGLBSA-N 263.106 -0.164 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(C(=O)N(C)C)CC1 731847962 AKYJOMIGNWURSW-JTQLQIEISA-N 299.375 -0.769 50 20 CBGD CN(C)CC(=O)NNC(=O)CNC(=O)C1CCCCC1 733359629 MATWOZNZYQYOMI-UHFFFAOYSA-N 284.360 -0.608 50 20 CBGD Cc1cc(NNC(=O)CN2CCCS2(=O)=O)ncn1 734253596 LMSJIVXZPZYMDQ-UHFFFAOYSA-N 285.329 -0.736 50 20 CBGD CC(C)S(=O)(=O)CC(=O)NNc1ncnc2[nH]cnc12 743470520 RWXYIYRWEMBROJ-UHFFFAOYSA-N 298.328 -0.381 50 20 CBGD Cn1nncc1C=NNC(=O)c1ccc(-n2cnnn2)cc1 751135525 YQBHAWNGLSWQDM-UHFFFAOYSA-N 297.282 -0.445 50 20 CBGD O=C(CO)NNC(=O)COc1cccc(Cl)c1 753440178 XVGBYZUWJMLAJU-UHFFFAOYSA-N 258.661 -0.142 50 20 CBGD COCCn1ccc(NC(=O)NNC(=O)CN(C)C)n1 763265554 JJHSSKOSTKBVST-UHFFFAOYSA-N 284.320 -0.756 50 20 CBGD COc1nccnc1NNC(=O)c1cccc(C(N)=O)n1 764469841 PFVIRVWMVMJUEF-UHFFFAOYSA-N 288.267 -0.264 50 20 CBGD CCCNC(=O)NNC(=O)CS(=O)(=O)C(C)(C)C 767335717 YPGGJIVQOVTINB-UHFFFAOYSA-N 279.362 -0.060 50 20 CBGD CC(CCN(C)C)=NNC(=O)Cc1cc(O)nc(O)n1 767379299 KHJTYWVKQITDIU-UHFFFAOYSA-N 281.316 -0.126 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)n[nH]1 768276749 GWTGBQXIUTUBCU-MRVPVSSYSA-N 291.311 -0.510 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 770755768 IKDAPWHICZDZBR-PSASIEDQSA-N 285.344 -0.136 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)COCCOC 772019027 WWKQYOPUONJHBZ-QMMMGPOBSA-N 276.289 -0.862 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCc1cnn(C)c1 772033693 AVJBOYHBAYEALQ-VIFPVBQESA-N 296.327 -0.158 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCNC(=O)OC 772132285 KTBSWQRKKNLAIX-SSDOTTSWSA-N 289.288 -0.778 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H]2C[C@]2(CO)C1 782604653 LBUXFZVGARFXKI-COPLHBTASA-N 283.372 -0.117 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1nnc2ccccc2c1O 787950917 XMMHWKMDIWXKRP-UHFFFAOYSA-N 290.279 -0.133 50 20 CBGD CC(C)CC(=O)NNC(=O)NCC1(S(C)(=O)=O)CC1 793254529 KGPCUQPQQPAFSE-UHFFFAOYSA-N 291.373 -0.060 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1cc([N+](=O)[O-])n[nH]1 794617874 AAGIPAMSYLTXLC-UHFFFAOYSA-N 278.228 -0.269 50 20 CBGD COC(=O)CNC(=O)NN=Cc1ccc(N)nc1 807981695 QUMUHJOTZQJEGL-UHFFFAOYSA-N 251.246 -0.530 50 20 CBGD Cc1ccc(NCC(=O)NNC(=O)c2cn(C)nn2)cc1 809570823 BCDQIMGGLOYWOL-UHFFFAOYSA-N 288.311 -0.003 50 20 CBGD CCC(=O)N1CCN(C(=O)NNC(=O)c2ncccn2)C1 823693421 NUOWYZUNBNKVEJ-UHFFFAOYSA-N 292.299 -0.657 50 20 CBGD O=C(Cn1cc(C(=O)O)nn1)NNC(=O)c1ccoc1 833121149 POZOSWWPCUJCQU-UHFFFAOYSA-N 279.212 -0.970 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H](NC=O)C(C)C 860540712 HRSSJNVJHKFIFR-QMMMGPOBSA-N 292.430 -0.385 50 20 CBGD C=CC(=O)N(C)CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 862096340 XEQPLANCPRZWBE-RKDXNWHRSA-N 269.301 -0.797 50 20 CBGD CSCCCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862455254 NHNFFPAUFZYRRT-MRVPVSSYSA-N 273.358 -0.054 50 20 CBGD CC[C@H](C)NC(=S)NNC(=O)[C@H]1CCC(=O)N1 863204163 RLDKXHDHODEFDS-NKWVEPMBSA-N 258.347 -0.441 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@H]2CCN(C)[C@@H]2C)n[nH]1 869018016 XZGGTUCRJLJMMN-MWLCHTKSSA-N 279.344 -0.252 50 20 CBGD Cc1cc(C)nc(NNC(=O)CN2CCNCC2)n1 876544760 ZUTOSCSODZFEFX-UHFFFAOYSA-N 264.333 -0.558 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@]1(C)C[C@@H](OC)CN1 876884916 MEMRSJKKYWJTLR-KCJUWKMLSA-N 258.322 -0.554 50 20 CBGD CCN(CCC(=O)NC)C(=O)c1cc(B(O)O)ccc1F 888276364 YEQZPFPNSOWJOI-UHFFFAOYSA-N 296.107 -0.896 50 20 CBGD CC[C@@H](O)[C@H](C)C(=O)NNC(=O)NCCCOC 900385022 PJMKSFUSNYXFAB-DTWKUNHWSA-N 261.322 -0.240 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cnc2n1CCOC2 910138455 IJHDIXBJZQSJKD-QMMMGPOBSA-N 254.290 -0.629 50 20 CBGD C[C@]1(C(=O)NNC(=O)CN2CCCC2=O)CCCOC1 913732153 KDFXCUMREFFQCO-ZDUSSCGKSA-N 283.328 -0.427 50 20 CBGD COc1ccc(O)c(C(C)=NNC(=O)C(N)=O)c1 916272328 MUWZHPDAPQQEBH-UHFFFAOYSA-N 251.242 -0.274 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccoc1CC(N)=O 1117142847 ICPYPLKPWUMQCW-UHFFFAOYSA-N 268.273 -0.387 50 20 CBGD CNC(=O)NNC(=S)Nc1ccc(C(N)=O)cc1 1318174778 PJWMAMRUKSGBGR-UHFFFAOYSA-N 267.314 -0.084 50 20 CBGD O=C(CCl)N1CCN(CCn2cncn2)CC1 1319785996 SCUKLXAFLPPUOO-UHFFFAOYSA-N 257.725 -0.339 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@H](CO)COC(C)=O 1321088468 NXINAGKODYFLRV-OLKPEBQYSA-N 256.258 -0.529 50 20 CBGD CC1(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1323858136 XGNSHUXJPDGAMN-SSDOTTSWSA-N 260.315 -0.631 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccoc1CC(N)=O 1325862765 YHXOBCMBZRPIBC-UHFFFAOYSA-N 298.299 -0.712 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cn(C)cn1 1330011503 BNQYZMWQOWWPHL-ZETCQYMHSA-N 268.273 -0.477 50 20 CBGD CC1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC(F)(F)C1 1330888599 PYRZNUXHJBRPTD-LURJTMIESA-N 275.255 -0.152 50 20 CBGD C#CCCCC(=O)NNC(=O)C[C@H]1CCC(=O)N1 1333527951 LHLSFOHVBXKDQU-SECBINFHSA-N 251.286 -0.394 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 1335667159 VNJZVYJCJYHMHN-IWSPIJDZSA-N 297.311 -0.553 50 20 CBGD CC(C)OC[C@H](N)C(=O)NCCSS(C)(=O)=O 1575787863 ZHHVDNMQDCXXKJ-QMMMGPOBSA-N 284.403 -0.452 50 20 CBGD Cc1nc2c(C(=O)NNC(=O)[C@@H]3CCN3)ccnc2[nH]1 1579868251 BFULIFXTMSQQQU-QMMMGPOBSA-N 274.284 -0.611 50 20 CBGD CN(NC(=O)c1ccc(-c2nn[nH]n2)cc1F)C(N)=O 1591154085 FLSINNQVKCZMMD-UHFFFAOYSA-N 279.235 -0.339 50 20 CBGD CCOCC(=O)NNC(=O)Nc1cncc(C(=O)O)c1 1591877504 NNXKCIMRAUJKJS-UHFFFAOYSA-N 282.256 -0.031 50 20 CBGD O=C(CCO)NNC(=O)Nc1ccccc1C(=O)O 1594688610 TZBNCMTXDGUMLC-UHFFFAOYSA-N 267.241 -0.080 50 20 CBGD O=C(O)COCCNC(=O)NNC(=O)[C@H]1CCCS1 1602079849 KAGJTKYYPMNCDG-SSDOTTSWSA-N 291.329 -0.686 50 20 CBGD O=C(Cn1cc(C(=O)O)cn1)NNc1ncncc1F 1608375637 CVWHDWCSRTWUOP-UHFFFAOYSA-N 280.219 -0.346 50 20 CBGD O=C(O)C[C@H](CNC(=O)NNC(=O)c1cn[nH]c1)C1CC1 1608666954 TXCNAQXTZVABCC-MRVPVSSYSA-N 295.299 -0.145 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)/C=C\c1nccs1 48674724 ILFLNGCBWFRIJT-ARJAWSKDSA-N 282.325 -0.172 50 20 CBGD NC(=O)CC[C@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 112979709 IWQCCWGGRQRSKS-SNVBAGLBSA-N 296.371 -0.479 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H](c1ccccc1)N(C)C 113425833 JKJKDROJVSREPS-ZDUSSCGKSA-N 278.356 -0.002 50 20 CBGD C[C@H](NC(=O)NNc1ncccn1)[C@@H]1CN(C)CCO1 152448958 BBQIINYGFSNFOX-UWVGGRQHSA-N 280.332 -0.178 50 20 CBGD Cc1cc(NNC(=O)[C@@H]2CN(C)CCO2)ncn1 176162016 SNTAGNLQVFOWOP-VIFPVBQESA-N 251.290 -0.441 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)c2ccc[nH]2)CC1=O 192743703 LJCGPZADXKJUCD-MRVPVSSYSA-N 264.285 -0.356 50 20 CBGD COC(=O)[C@@H](O)CNS(=O)(=O)CCCCl 234571986 MINMEQONIFLTBL-LURJTMIESA-N 259.711 -0.931 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C)n1cccn1 265887205 OUICYSKNUCPLOY-SECBINFHSA-N 295.343 -0.104 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@@H](C)S(C)(=O)=O)n1 279852810 UDPOZRVFNQPQIT-MRVPVSSYSA-N 285.325 -0.416 50 20 CBGD CNS(=O)(=O)c1cc(C(=O)NN(C)CCOC)co1 288476798 RLNIIDHZUULXGW-UHFFFAOYSA-N 291.329 -0.589 50 20 CBGD CNC(=O)NCCC(=O)NNC(=O)OC(C)(C)C 292227162 ANIWCBNSFFASFJ-UHFFFAOYSA-N 260.294 -0.139 50 20 CBGD C[C@H](O)CN(CCO)S(=O)(=O)CCCCl 309020505 UJGHTMSYZOCNQM-QMMMGPOBSA-N 259.755 -0.380 50 20 CBGD CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cccc(B(O)O)c1 584968107 HRQZZXNUQKJDNJ-NEPJUHHUSA-N 290.128 -0.989 50 20 CBGD C[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C[C@@H]1O 584969726 IHJVOZRULWKJFG-PELKAZGASA-N 281.092 -0.652 50 20 CBGD C=CCN(CCOC)C(=O)c1cc(B(O)O)ccc1F 584980960 PGPHXHKZVMAGLP-UHFFFAOYSA-N 281.092 -0.220 50 20 CBGD CN(C)CC1(NC(=O)c2ccc(B(O)O)c(F)c2)CCC1 584985479 LNDAKDNKTFRWJU-UHFFFAOYSA-N 294.135 -0.280 50 20 CBGD CCN(CCOC)C(=O)c1ccc(B(O)O)cc1 584989579 RCKORXHKIYFUOC-UHFFFAOYSA-N 251.091 -0.525 50 20 CBGD COCC[C@@H]1COCCN1C(=O)c1ccc(B(O)O)cc1 584993135 WESMJUMUKNMOHV-CYBMUJFWSA-N 293.128 -0.756 50 20 CBGD CNC(=O)C(C)(C)CNCc1ccc(B(O)O)cc1F 585030685 XKSUKXCNZTXTGX-UHFFFAOYSA-N 282.124 -0.633 50 20 CBGD Cn1cc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)nc1Cl 585058705 NJSQCCNEHYPELE-ZCFIWIBFSA-N 293.541 -0.689 50 20 CBGD O=C(NNS(=O)(=O)C[C@H]1CCCO1)c1ccccn1 735645287 BMHVKLIFKXPCAI-SECBINFHSA-N 285.325 -0.175 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1c[nH]c(C(=O)OC)c1 743256121 KGVJRZAHNFTGAM-UHFFFAOYSA-N 290.301 -0.686 50 20 CBGD CCNC(=O)CN(C)CC(=O)NNC(=O)C(C)(C)C 744389053 HACAZNFISWPMFT-UHFFFAOYSA-N 272.349 -0.752 50 20 CBGD CN1C(=O)C(=O)N(CC(=O)NNc2ccccc2F)C1=O 748049010 HXHJATRAIXHRMS-UHFFFAOYSA-N 294.242 -0.311 50 20 CBGD O=C(CC[C@H]1CCCO1)NNC(=O)C(=O)N1CCCC1 748241305 VEKAGSBJKMZPDJ-SNVBAGLBSA-N 283.328 -0.285 50 20 CBGD COc1nccnc1NNC(=O)[C@@H](C)S(C)(=O)=O 764460133 JMEVBNKCPQXHKR-ZCFIWIBFSA-N 274.302 -0.639 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](O)C(C)(C)C 765005101 WQOCKOOAESIGFN-MRVPVSSYSA-N 254.290 -0.114 50 20 CBGD COC(=O)[C@@H]1C[C@@H](C)CCN1CC(=O)NNC(=O)C1CC1 775807361 RPARKTHBBHLYMS-ONGXEEELSA-N 297.355 -0.183 50 20 CBGD Cc1ccc2c(c1)C(=O)N(CC(=O)NN(C)C(N)=O)C2=O 778412294 SAUJVKNJVOOMGR-UHFFFAOYSA-N 290.279 -0.367 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccccc1COC 778560002 JJMFEGHCFPYWRX-UHFFFAOYSA-N 273.314 -0.045 50 20 CBGD CN1CCN(CC(=O)NNc2ccc(Cl)nn2)CC1=O 781933005 COMYKKUYTGVYIY-UHFFFAOYSA-N 298.734 -0.653 50 20 CBGD CC1(C)CN(CC(=O)NNC(=O)C2CC2)CC[C@H]1O 782577750 DFYQOTCBMSCPCA-SNVBAGLBSA-N 269.345 -0.363 50 20 CBGD CC(C)NC(=O)NNC(=O)C[C@H]1CCCC(=O)N1 813427822 MOIUPRXUGAOTFX-MRVPVSSYSA-N 256.306 -0.216 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCc3nncn3C2)n[nH]1 815887039 QYNPJDQVGJICOE-QMMMGPOBSA-N 289.299 -0.667 50 20 CBGD CCOC1(C(=O)NN(C)[C@@H](C)CO)CCOCC1 823906988 FKXAKTMAZIQTKD-JTQLQIEISA-N 260.334 -0.084 50 20 CBGD CCOCCn1cc(C(=O)NN(C)[C@H](C)CO)cn1 823907053 GVIXKLRFLQQJHG-SNVBAGLBSA-N 270.333 -0.123 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@H]1COCCO1 825737976 RYVNELMJFKPYMK-AEJSXWLSSA-N 287.316 -0.843 50 20 CBGD CC1(CCC(=O)NNC(=O)CS(C)(=O)=O)CC1 827588706 WZVBXFCUJYKFNZ-UHFFFAOYSA-N 262.331 -0.241 50 20 CBGD C[C@H]1CCCN(CC(=O)NNC(=O)C2CC2)[C@@H]1CN 843351460 WALNQNOWLZAWOH-GXSJLCMTSA-N 268.361 -0.397 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnn1C 843648005 OXDDWSFAOZOUMN-HTQZYQBOSA-N 252.274 -0.394 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)C1CC1)NC1CC1 843774591 FMRQSELXBDIHMU-JTQLQIEISA-N 280.328 -0.120 50 20 CBGD C[C@@H](COCC(=O)NNC(=O)CO)c1ccccc1 846636606 MOXSCFCIVGEXAT-JTQLQIEISA-N 266.297 -0.054 50 20 CBGD CO[C@@H](C=NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CC1 853285227 RRDPKFNBJCSHOO-UWVGGRQHSA-N 274.342 -0.052 50 20 CBGD CN(C)CCONC(=O)/C(C#N)=C\c1cnn(C)c1 854945058 IAVPNMLUITYABW-WDZFZDKYSA-N 263.301 -0.064 50 20 CBGD CCOC(=O)C(C)(C)C(=O)NNc1cnnn1C 857273930 WBPJOIYXVNADRE-UHFFFAOYSA-N 255.278 -0.153 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)C1CCN(C)CC1 863186169 QDXGBHJRYVCUST-UHFFFAOYSA-N 275.374 -0.135 50 20 CBGD COC(=O)[C@H](NC(=O)c1ccc(B(O)O)cc1)C(C)C 863869131 ILCFCHWKQZYVOU-LLVKDONJSA-N 279.101 -0.706 50 20 CBGD COC(=O)N(C)NC(=O)N[C@H](C)[C@H]1CN(C)CCO1 875400255 KSKXXIXIXTZIFH-RKDXNWHRSA-N 274.321 -0.382 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 905099745 DUQPRGXZJUGEPD-NBEYISGCSA-N 253.327 -0.107 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)C1(C(=O)C2CC2)CC1 913733765 VGZBMBNEIBSKKF-UHFFFAOYSA-N 293.323 -0.485 50 20 CBGD CC(C)CC(=O)NNC(=O)CN1CCCS1(=O)=O 916147736 AWZBPYRAQGJNCF-UHFFFAOYSA-N 277.346 -0.785 50 20 CBGD CCOc1ccccc1OCC(=O)NNC(=O)C(N)=O 917359593 JRXGYTRGPDJCKT-UHFFFAOYSA-N 281.268 -0.903 50 20 CBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)N1CCN(C)CC1 935860543 PNYKWESNHRIAGR-NXEZZACHSA-N 298.343 -0.826 50 20 CBGD CC(C)CS(=O)(=O)CC(=O)NNc1cnnn1C 1118769985 IIHNIQUUICWWRH-UHFFFAOYSA-N 275.334 -0.671 50 20 CBGD CNC(=S)N(C)NC(=O)C1(OC)CCOCC1 1261745034 XGZQOKSFRHENDR-UHFFFAOYSA-N 261.347 -0.351 50 20 CBGD O=C(Cn1cncn1)NNC(=O)c1n[nH]c2c1CCCC2 1317906328 YQHFFQSZKOYNNS-UHFFFAOYSA-N 289.299 -0.659 50 20 CBGD NC(=O)NCCCCC(=O)NNc1ncc(F)cn1 1319774086 LNYRMLSTKSNSMJ-UHFFFAOYSA-N 270.268 -0.103 50 20 CBGD Cn1nncc1NNC(=O)[C@@H]1CCCCS1(=O)=O 1324333298 GSNISUIXWIGXMY-ZETCQYMHSA-N 273.318 -0.775 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC2CC(F)(F)C2)N1 1329175379 QSNIVACAHZRJHE-ZCFIWIBFSA-N 276.243 -0.607 50 20 CBGD C[C@H](CC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1cnn(C)c1 1329530653 OPTQJFXIWHYLLO-PSASIEDQSA-N 293.327 -0.660 50 20 CBGD COC(=O)C(=O)NN[C@H](C(=O)N(C)C)c1ccccc1 1330772566 AUWARNLNEMUZPY-JTQLQIEISA-N 279.296 -0.390 50 20 CBGD CCCc1n[nH]cc1C(=O)NNC(=O)CS(C)(=O)=O 1331833662 MAHWPGXHPOKEIJ-UHFFFAOYSA-N 288.329 -0.832 50 20 CBGD O=C(Cc1cnc[nH]1)NNC(=O)NCC(F)(F)F 1332084278 YSVVKQZHLUYGMQ-UHFFFAOYSA-N 265.195 -0.155 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(C)(C)O)cc(O)n1 1343814498 KACOVEYVDZARJJ-UHFFFAOYSA-N 253.258 -0.372 50 20 CBGD N#CC1=CCN(C(=O)c2nc3ncc(CCO)cn3n2)CC1 1446275692 MVNZVHXBWJSXCI-UHFFFAOYSA-N 298.306 -0.045 50 20 CBGD O=C(NNC(=O)C1CCCC1)c1cnn(CCO)c1 1518889428 IVAHBROAZCNMNJ-UHFFFAOYSA-N 266.301 -0.173 50 20 CBGD CC(=O)NNC(=O)C1([C@@]2(O)CCCNC2)CCC1 1575014345 CQQBTNOHAKXRHJ-GFCCVEGCSA-N 255.318 -0.562 50 20 CBGD O=C(Cc1ccc(-c2nn[nH]n2)nc1)NNC(=O)C1CC1 1592913980 LQDHYHQAVAHFQJ-UHFFFAOYSA-N 287.283 -0.638 50 20 CBGD C[C@@]1(C(=O)N[C@@H](CO)C(=O)O)C[C@@H]1Br 1593755678 URLNDXUXKVHSOE-ZVQZEWSASA-N 266.091 -0.278 50 20 CBGD O=C(NNC(=O)[C@H]1COCCO1)[C@H]1CC[C@@H](C(=O)O)C1 1594782975 PZESSNSXSWTZJS-DJLDLDEBSA-N 286.284 -0.950 50 20 CBGD CNC(=O)NNC(=O)c1ccsc1-c1nn[nH]n1 1604886316 QKPBFSSUDOBXGM-UHFFFAOYSA-N 267.274 -0.498 50 20 CBGD O=C(Cn1ccc(C(=O)O)n1)NN=c1cc[nH]cc1 1608377684 AAURHHXNZDGIEI-UHFFFAOYSA-N 261.241 -0.459 50 20 CBGD CCO[C@H]1C[C@@H]1C(=O)NN=Cc1cn(CC(=O)O)nn1 1776102468 QQSKNRSOHNYIQO-IUCAKERBSA-N 281.272 -0.762 50 20 CBGD Cc1noc(C)c1CC(=O)NNC(=O)N1CCOCC1 194903170 DTZWDNRXHBFWKX-UHFFFAOYSA-N 282.300 -0.093 50 20 CBGD O=C(COc1cccnc1)NNC(=O)N1CCOCC1 264694264 RXWCCGNJPIAVGR-UHFFFAOYSA-N 280.284 -0.467 50 20 CBGD CC(C)C(=O)NCCNC(=O)NNC(=O)C1CCC1 264747143 QMIMKIOOQFCONC-UHFFFAOYSA-N 270.333 -0.111 50 20 CBGD C[C@@H](N)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 269043600 CHYSPKZYLFUHOA-MRVPVSSYSA-N 298.368 -0.082 50 20 CBGD Cc1cccc(F)c1NC(=O)C(=O)NNC(=O)CN(C)C 274100866 WRKOGBCTHYSRFO-UHFFFAOYSA-N 296.302 -0.218 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1Cc2ccccc2C(=O)O1 276262918 NPLRBKWPAPQMDS-SNVBAGLBSA-N 292.291 -0.314 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)[C@@H]1CN2CCCN1CC2 372843476 VUPKUYMGNLGLCX-NSHDSACASA-N 282.388 -0.040 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)CC1 377250835 DIJRBVXXUHWJOM-GMTAPVOTSA-N 282.344 -0.600 50 20 CBGD COC(=O)NCC(=O)NNC(=O)CCc1ccccc1O 491245141 LIRHMBTXUXQRTM-UHFFFAOYSA-N 295.295 -0.172 50 20 CBGD CO[C@@H](C)CCNC(=O)c1cc(B(O)O)ccc1F 584939137 DZBKXBDWGIUBJY-QMMMGPOBSA-N 269.081 -0.340 50 20 CBGD CN1CCC[C@@H](CN(C)C(=O)c2cccc(B(O)O)c2)C1 584947596 VUFKIBSPYFIBLB-GFCCVEGCSA-N 290.172 -0.220 50 20 CBGD C[C@@H](O)C[C@@H](C)CNC(=O)c1ccc(B(O)O)cc1 584948572 DIGKRMCOMBLYGK-NXEZZACHSA-N 265.118 -0.497 50 20 CBGD CN(C(=O)c1ccc(B(O)O)cc1)C1CCOCC1 584955010 NBRTVBMATCMZOL-UHFFFAOYSA-N 263.102 -0.383 50 20 CBGD CCn1cccc(CNCc2cccc(B(O)O)c2)c1=O 585039167 PADLEFCMPHVQFV-UHFFFAOYSA-N 286.140 -0.162 50 20 CBGD O=S1(=O)CCC[C@H]1CNCc1cccc(B(O)O)c1 585044573 NADMQYKOEOHZDF-LBPRGKRZSA-N 283.158 -0.967 50 20 CBGD C[C@@H]1[C@H](NCc2ccccc2B(O)O)CCS1(=O)=O 585048619 BGLYFKYBISRZFC-BXKDBHETSA-N 283.158 -0.968 50 20 CBGD COc1cccc(CS(=O)(=O)NCB(O)O)c1 585054931 UPTJQPUJXDBFPQ-UHFFFAOYSA-N 259.092 -0.873 50 20 CBGD C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCB(O)O 585056224 RNUNNBOKRYZIOK-GMSGAONNSA-N 251.047 -0.657 50 20 CBGD C[C@H](Oc1cccnc1)C(=O)N1CC[C@@H](B(O)O)C1 585069282 KQGWDOYRHIVCNC-VHSXEESVSA-N 264.090 -0.076 50 20 CBGD NC(=O)CNC(=S)NNC(=O)COCc1ccccc1 737453677 YEIZODJGXYFBKR-UHFFFAOYSA-N 296.352 -0.816 50 20 CBGD CCNC(=O)C(C)(C)CNC(=O)NNC(=O)COCC 746329256 YJFJOFYXVUYBJY-UHFFFAOYSA-N 288.348 -0.484 50 20 CBGD COCCCNC(=O)NNC(=S)NC[C@@H]1CCOC1 749685172 BOYUDEITRZTDLX-VIFPVBQESA-N 290.389 -0.262 50 20 CBGD O=C(CO)NNC(=O)c1ccc(Cn2ccnc2)cc1 753442463 HAVJHVCMQSPYMT-UHFFFAOYSA-N 274.280 -0.315 50 20 CBGD COc1ccc(F)cc1NC(=O)NNC(=O)CO 757854033 VBKYCDTVOSZIHQ-UHFFFAOYSA-N 257.221 -0.021 50 20 CBGD CC(CCN(C)C)=NNC(=O)[C@@H](C)NS(C)(=O)=O 767376914 HQLACFOGBUTHMD-SECBINFHSA-N 278.378 -0.632 50 20 CBGD CSCCNC(=S)NNC(=O)[C@H](C)NC(C)=O 769770708 YIHMFIGWTNVDJS-LURJTMIESA-N 278.403 -0.631 50 20 CBGD Cn1nc([C@@H]2CCCOC2)cc1NC(=O)NNC(=O)CO 790551626 ORTUEDMNYMZHGW-MRVPVSSYSA-N 297.315 -0.541 50 20 CBGD O=C(CN[C@@H]1CCC[C@@H]1CCO)NNC(=O)C1CC1 794576236 IPLVHMPCWGNVHQ-MWLCHTKSSA-N 269.345 -0.316 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@@](F)(CO)C1 802011253 NLNRHGYAGPADKC-LBPRGKRZSA-N 275.324 -0.414 50 20 CBGD CC[C@@H](C(=O)NN(C)CCOC)N1CCCC1=O 808075432 YSEDPUNMDYUICT-JTQLQIEISA-N 257.334 -0.003 50 20 CBGD C#CCN1CCC(C(=O)NN(C)C[C@H](C)O)CC1 820365098 UDXMVFMSBSQYFY-NSHDSACASA-N 253.346 -0.325 50 20 CBGD CCn1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)nn1 823476140 WHPFOXNUDZPXJG-JGVFFNPUSA-N 267.289 -0.516 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@]12CCC(=O)N1CCS2 823976748 IRSIOZZUGGNYPO-KCJUWKMLSA-N 273.358 -0.604 50 20 CBGD C[C@@]1(C(=O)NNC(=O)OCC(F)(F)F)CCNC1=O 824619171 DNSLFZZDHVCKGN-MRVPVSSYSA-N 283.206 -0.168 50 20 CBGD CCCNC(=O)CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 825558564 MZLPSYVCWJRCLY-RKDXNWHRSA-N 286.332 -0.732 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@@]12CCC[C@@H]1C2 828343046 BDSMSSWOVUJJPN-NOZJJQNGSA-N 265.313 -0.054 50 20 CBGD CN1CCN(C(=O)NNC(=O)CSC(F)F)CC1 830240968 ZTMURQDBCYOTNF-UHFFFAOYSA-N 282.316 -0.070 50 20 CBGD O=S(=O)(CCl)NCC1(N2CCOCC2)CC1 831280035 AUAGFUYMISGERF-UHFFFAOYSA-N 268.766 -0.033 50 20 CBGD C[C@H](N)CNC(=O)NNC(=O)COc1ccc(F)cc1 841984050 IKUQYYQGIGATBT-QMMMGPOBSA-N 284.291 -0.118 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cn1cc([N+](=O)[O-])cn1 843640106 BCKMOFXWYRDMTI-VXNVDRBHSA-N 297.271 -0.636 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CCc2cnc(C)n2C1 845274939 JDOVTZUHRYZEHJ-QMMMGPOBSA-N 251.290 -0.286 50 20 CBGD CN(C)c1cccc(C(=O)NNC(=O)[C@H]2CCNC2=O)c1 854264083 VUCSDIURIRGUOS-NSHDSACASA-N 290.323 -0.350 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCc2nn[nH]c21)[C@H]1CCCCO1 854682486 BTFPCOMUKOSVNG-PSASIEDQSA-N 293.327 -0.059 50 20 CBGD CN(Cc1ccoc1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858695657 YOQJXZLDMMFISQ-SECBINFHSA-N 280.284 -0.269 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)c1cc(O)ncn1 862059063 VHLYNGODUMCMCR-UHFFFAOYSA-N 264.163 -0.104 50 20 CBGD CCC[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)OC 863877959 JFKJPMLLCXNRSX-LLVKDONJSA-N 279.101 -0.562 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cnn(CCOC)c1 867278473 AVOPHRASSANEEF-UHFFFAOYSA-N 269.305 -0.164 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H]1CCCCS1(=O)=O 887146557 CKAWFCLQFRKJJZ-JTQLQIEISA-N 286.353 -0.095 50 20 CBGD CCCNC(=O)NNC(=O)COc1ccc(C(N)=O)cc1 921038536 RFZVLOKARDDWHL-UHFFFAOYSA-N 294.311 -0.095 50 20 CBGD CC(C)C(=O)NNC(=O)NNC(=O)Cc1cccnc1 1115984181 KGTMLGCPXWPNGE-UHFFFAOYSA-N 279.300 -0.358 50 20 CBGD NC(=O)N1CCC[C@@H](C(=O)NNC(=O)CC2CC2)C1 1117772887 MVGLKKAPVKVKQS-SECBINFHSA-N 268.317 -0.275 50 20 CBGD COCCN(C)NC(=O)c1cn(Cc2noc(C)n2)nn1 1261552527 UWRRLOYXDWAPGX-UHFFFAOYSA-N 295.303 -0.759 50 20 CBGD CC(C)C(=O)NNC(=O)c1ccc(C(N)=O)nc1 1318056744 PBRRJNRRDVKBEF-UHFFFAOYSA-N 250.258 -0.403 50 20 CBGD NC(=O)C(=O)NN=Cc1cccc(OCCC(=O)O)c1 1318182587 PVBILZLJWXKDNA-UHFFFAOYSA-N 279.252 -0.525 50 20 CBGD NC(=O)c1nccnc1C(=O)NNC(=O)C1CCC1 1318862345 JHVGMGFQQQPLDE-UHFFFAOYSA-N 263.257 -0.863 50 20 CBGD Cn1nncc1/C=C(/C#N)S(=O)(=O)NC1CC1 1321073406 OACRHMMLUDIXJK-WTKPLQERSA-N 253.287 -0.239 50 20 CBGD Cc1cc(NC(=O)C(=O)NNC(=S)NC(C)C)no1 1323151117 HNUITVGKXDPUBO-UHFFFAOYSA-N 285.329 -0.175 50 20 CBGD C[S@](=O)CCNC(=O)NNC(=O)CC(F)(F)F 1323369121 KIUMVLVNHVOZHD-KRWDZBQOSA-N 275.252 -0.352 50 20 CBGD COC[C@@H](CNC(=O)NNC(=O)c1cnn(C)c1)OC 1325096867 RLKYYVBOERKXJM-SECBINFHSA-N 285.304 -0.975 50 20 CBGD CN(C)C(=O)CNC(=O)C(=O)NNc1ccnc(Cl)c1 1328133314 OAQYVAKDAUIIHP-UHFFFAOYSA-N 299.718 -0.618 50 20 CBGD Cn1ncc(C=NNC(=O)[C@@H]2CCC(=O)N2)c1Cl 1329112149 WVLFYCLLWMLPHR-ZETCQYMHSA-N 269.692 -0.198 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2c(F)ccc(O)c2F)N1 1330109905 XYERUNKKENHZFF-ZCFIWIBFSA-N 299.233 -0.290 50 20 CBGD COCc1nocc1C(=O)NNC(=O)C(=O)N1CCCC1 1330122773 KBFIGPVQJHRONY-UHFFFAOYSA-N 296.283 -0.796 50 20 CBGD Cn1cc(Cl)c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 1331803255 NJZZGXJLWXJVCA-ZCFIWIBFSA-N 285.691 -0.887 50 20 CBGD CO[C@H]1CN[C@@](C)(C(=O)NNC(=O)c2cccnn2)C1 1573960198 GPMUWEMRQGQGEA-PRHODGIISA-N 279.300 -0.995 50 20 CBGD CO[C@](C)(C(=O)O)C(=O)NNC(=S)Nc1ccccn1 1574104240 IFAPHIIVDMTAIX-NSHDSACASA-N 298.324 -0.111 50 20 CBGD COC(=O)NNC(=O)c1cc2n(n1)C[C@H](C)NC2 1578824911 NBYKIIQPQHRCHJ-LURJTMIESA-N 253.262 -0.624 50 20 CBGD COC[C@H](N)C(=O)NNC(=O)COc1ccc(C#N)cc1 1579086798 AUIPUIRLEGKVAT-NSHDSACASA-N 292.295 -0.942 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CCOCC1)c1ccncc1 1594782734 JCHYWGOHBNXHCA-UHFFFAOYSA-N 293.279 -0.276 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1 1596861534 OPGVUFHXGRAKAO-LWINAJNOSA-N 285.300 -0.393 50 20 CBGD CO[C@@H]1CN(CC(=O)NNC(=O)C2CC2)[C@](C)(C(=O)O)C1 1599131647 OHPQTAOUIMXVHY-ZANVPECISA-N 299.327 -0.892 50 20 CBGD N[C@@H](CC(=O)O)C(=O)NNc1ncnc2ccsc12 1601201499 OTYLFPCXJALNBI-YFKPBYRVSA-N 281.297 -0.064 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)O)cc1F 1604344821 DEJXLNVYKQXHCW-UHFFFAOYSA-N 299.214 -0.150 50 20 CBGD CCOC[C@@H](NC(=O)NNC(=O)C(=O)O)C(C)C 1605623202 BOKFHNPJKIHJEI-SSDOTTSWSA-N 261.278 -0.538 50 20 CBGD O=C(CN1C(=O)CCC1=O)NNc1ncccc1C(=O)O 1605689418 CMDQMDQSLZLTFR-UHFFFAOYSA-N 292.251 -0.628 50 20 CBGD CN(C)C(=O)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1609264926 LBOIQCZXNJKVRO-UHFFFAOYSA-N 264.249 -0.889 50 20 CBGD Cn1cc(C(=O)O)cc1C=NNC(=O)C(=O)NC1CC1 1776027156 CITHYNZLLVAPFD-UHFFFAOYSA-N 278.268 -0.548 50 20 CBGD Cc1ccc(CC(=O)NNC(=O)C(=O)NC2CC2)cn1 48723441 MHXZYXICMCKNNE-UHFFFAOYSA-N 276.296 -0.641 50 20 CBGD CNC(=O)NNC(=O)CNC(=O)c1ccoc1C 57292335 OUDUKGOMOONIMW-UHFFFAOYSA-N 254.246 -0.722 50 20 CBGD COCCN(C)CCNC(=O)NNc1cccnn1 77662525 DXRUNJWEZIGINV-UHFFFAOYSA-N 268.321 -0.319 50 20 CBGD Cn1nc(C(=O)NNC(=O)c2cccc(C#N)c2)ccc1=O 103403385 LEZOPGXPKZENOI-UHFFFAOYSA-N 297.274 -0.273 50 20 CBGD Cc1ccnc2nc(C(=O)NNC(=O)c3cccn3C)nn12 136029590 ZUWFOISTPVPBKY-UHFFFAOYSA-N 299.294 -0.154 50 20 CBGD CN1CCO[C@H](C(=O)NNc2cc(Cl)nc(N)n2)C1 183529137 WGSQEJQICOMCCY-LURJTMIESA-N 286.723 -0.514 50 20 CBGD CSC[C@H](C)C(=O)NNC(=O)C(=O)NC(C)C 264509952 VDBDLGZSTZYRHZ-ZETCQYMHSA-N 261.347 -0.343 50 20 CBGD CN(NC(=O)CNC(=O)C1CCCCC1)C(N)=O 272175615 KLYJWFAKRSCQHT-UHFFFAOYSA-N 256.306 -0.275 50 20 CBGD C=C[C@](C)(CCOC)C(=O)NNC(=O)C(=O)N1CCCC1 275795033 OAEXSOAILWLBFF-CQSZACIVSA-N 297.355 -0.015 50 20 CBGD Cc1nc(C)c(C(=O)NNC(=O)N2CCN(C)CC2)o1 282972893 SJOKVXPONYMUPW-UHFFFAOYSA-N 281.316 -0.107 50 20 CBGD CN1C[C@@H](C(=O)NNC(=O)[C@@H]2CCCCO2)CC1=O 295256774 ATYJYICQPCUTPE-IUCAKERBSA-N 269.301 -0.819 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H](C)CN1CCOCC1 298640406 DAXDSWXEJNQAQU-SNVBAGLBSA-N 286.401 -0.364 50 20 CBGD COC(=O)NNC(=O)CCCN1C(=O)CCC1=O 495408531 SEOGFDZARSHKIR-UHFFFAOYSA-N 257.246 -0.697 50 20 CBGD COCCCNC(=O)c1ccc(B(O)O)c(F)c1 584923102 CYKHXBOOWHMMHP-UHFFFAOYSA-N 255.054 -0.728 50 20 CBGD CC[C@H](NC(=O)c1ccc(B(O)O)cc1)[C@@H]1CCOC1 584950014 CLPUSXRXYQJSHZ-YPMHNXCESA-N 277.129 -0.089 50 20 CBGD C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(B(O)O)cc1 584951404 QAIUKMZMAWHUDB-FZMZJTMJSA-N 290.172 -0.221 50 20 CBGD CCO[C@H](C)CNC(=O)c1ccc(B(O)O)c(F)c1 584952989 RQFOMCGRNGPTOD-MRVPVSSYSA-N 269.081 -0.340 50 20 CBGD CC[C@@H](C[C@@H](C)CO)NC(=O)c1cccc(B(O)O)c1 584962513 HVMQQMIUXVONHH-MFKMUULPSA-N 279.145 -0.107 50 20 CBGD CSCC[C@H](CO)NC(=O)c1cccc(B(O)O)c1 584963348 RZTZHDWDUACATA-LLVKDONJSA-N 283.158 -0.790 50 20 CBGD C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)CC[S@@]1=O 584982450 KXNGUPRPYFWWDQ-SBKAZYGRSA-N 295.169 -0.651 50 20 CBGD CC[C@H]1COC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 585006143 AYMLUMWFRVJEDY-QPUJVOFHSA-N 281.092 -0.340 50 20 CBGD CCO[C@H]1C[C@](CO)(NCc2ccc(B(O)O)o2)C1(C)C 585036542 ICNCFJMLJOYFES-SMDDNHRTSA-N 297.160 -0.385 50 20 CBGD CC(C)CC[C@@H](CO)NCc1ccc(B(O)O)o1 585048706 CLLKLSQWMVNKKK-JTQLQIEISA-N 255.123 -0.154 50 20 CBGD CCn1cc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)nc1C 585058511 HGKDYPKFMMLLCA-SECBINFHSA-N 287.150 -0.551 50 20 CBGD O=C(NCCC(=O)N1CC[C@H](B(O)O)C1)c1ccsc1 585070144 WNNYVZKCSGXGBB-JTQLQIEISA-N 296.157 -0.057 50 20 CBGD Cc1ccccc1C(=O)NNC(=S)NCC(N)=O 727066962 SKNZTZRKAYPMOF-UHFFFAOYSA-N 266.326 -0.411 50 20 CBGD CCOCC(=O)NNC(=S)NCCCC(=O)O 737163175 ZROQUAFFXYIHDG-UHFFFAOYSA-N 263.319 -0.617 50 20 CBGD O=C(O)CSCC(=O)NNC(=O)NCC1CC1 740485293 HUZPHSFXBAUQJU-UHFFFAOYSA-N 261.303 -0.455 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H](COC)C1CC1 750446721 OFZOCZNPJRIKOC-SECBINFHSA-N 259.306 -0.222 50 20 CBGD Cn1cc(C(=O)NN[C@@H](Cc2ccccc2)C(N)=O)cn1 758149196 ZFWNUPMPKAFYDS-LBPRGKRZSA-N 287.323 -0.249 50 20 CBGD CC(C)CC(=O)NN=Cc1cn(CC(=O)O)nn1 768482612 LPHIKPDCHHRMEC-UHFFFAOYSA-N 253.262 -0.141 50 20 CBGD NC(=O)N1CCC[C@H]1C(=O)NNc1cc(Cl)nc(N)n1 773863262 UZTLVPUNDVCANN-YFKPBYRVSA-N 299.722 -0.302 50 20 CBGD O=C(NNC(=O)[C@H](F)Cc1ccccc1)C(=O)NC1CC1 777971639 KOVYNNRGKABDNZ-LLVKDONJSA-N 293.298 -0.007 50 20 CBGD C[C@@H](NC(=O)COC(=O)/C(C#N)=C/C1CC1)C(=O)N(C)C 786680212 WDUKXEAOVRENOB-VKRGWIQLSA-N 293.323 -0.018 50 20 CBGD Cn1nnc(CNC(=O)NNc2cncc(Cl)n2)n1 787433817 VYMWIXLINTZMIK-UHFFFAOYSA-N 283.683 -0.520 50 20 CBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNc1ccnc(F)c1 813513243 KTANPEHDRWCEAN-VIFPVBQESA-N 284.291 -0.203 50 20 CBGD CCN(CCO)NC(=O)[C@@H](O)Cc1ccccc1 823879831 TVKLTLCAXCHWQX-LBPRGKRZSA-N 252.314 -0.065 50 20 CBGD CCC(=O)N[C@@H](CCSC)C(=O)NN(C)[C@@H](C)CO 823971532 WDNVFJVFVOQQKU-UWVGGRQHSA-N 291.417 -0.022 50 20 CBGD CC(=O)NCCN(C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 827259769 LRHHRCNETYXULA-SCZZXKLOSA-N 286.332 -0.780 50 20 CBGD COCCCOCCC(=O)NNC(=O)C(C)(C)O 832749001 BCGWJGMODIMFBV-UHFFFAOYSA-N 262.306 -0.652 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCN1CCOC1=O 843643717 AFRBXNDAJDLVLL-DTWKUNHWSA-N 285.300 -0.599 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc2[nH]nnc2c1 843974841 DLJAYNUTQYHXIP-SVRRBLITSA-N 290.283 -0.461 50 20 CBGD COC1(CO)CCN(CC(=O)NNC(=O)C(C)C)CC1 847049318 NXLUWNZMSYIRSJ-UHFFFAOYSA-N 287.360 -0.737 50 20 CBGD CCOC(=O)Cn1ccc(NC(=O)NNC(=O)OC)n1 847251366 AXUFFXCRHBIVRW-UHFFFAOYSA-N 285.260 -0.161 50 20 CBGD COCc1nn(C)cc1C(=O)NNC(=O)c1cc[nH]n1 855355326 WULOESPZNQKWBN-UHFFFAOYSA-N 278.272 -0.636 50 20 CBGD O=C(CCN1CCCS1(=O)=O)NNc1ccncn1 857520967 VNVGGEQFDHLGQI-UHFFFAOYSA-N 285.329 -0.655 50 20 CBGD COC1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCCC1 858495266 ZFWBJWHMBHEJIR-SECBINFHSA-N 298.343 -0.445 50 20 CBGD Cc1cc(=NC(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C)c[nH]1 860852295 UFTISIHZEOIXAI-SECBINFHSA-N 291.311 -0.448 50 20 CBGD CC(C)[C@H](CN(C)C)NC(=O)c1ccc(B(O)O)cc1 865800782 SDPYRINWGQWRJJ-ZDUSSCGKSA-N 278.161 -0.318 50 20 CBGD COCCCNC(=S)N(C)NC(=O)C(OC)OC 873835220 VSJUHVJCMZGGDP-UHFFFAOYSA-N 279.362 -0.521 50 20 CBGD C#CCCCC(=O)NNC(=O)c1cc2n(n1)CCO2 887149373 UEIQGLGTMWKBST-UHFFFAOYSA-N 262.269 -0.160 50 20 CBGD COc1ccccc1NCC(=O)NNC(=O)C(OC)OC 895557870 RSJOONORIOSONG-UHFFFAOYSA-N 297.311 -0.127 50 20 CBGD N#Cc1ccc(NNC(=O)CN2CCOCC2)nc1 899661614 CWFWFVSGNGHFEQ-UHFFFAOYSA-N 261.285 -0.271 50 20 CBGD COC(=O)c1ccn(CC(=O)NN(C)C[C@@H](C)O)n1 910182274 GJSZWTIQMWAYHP-MRVPVSSYSA-N 270.289 -0.987 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@@H]1C[C@@H]1C(N)=O)C1CC1 912162197 VVXZUYZPBQAVEE-MHSYXAOVSA-N 270.358 -0.598 50 20 CBGD CN1CCO[C@H](C(=O)NNc2ncc(Cl)cn2)C1=O 912826563 VFTOBEABESWRJW-SSDOTTSWSA-N 285.691 -0.570 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1c(F)ccnc1F 913732669 FJEKTDOLLJMWDQ-UHFFFAOYSA-N 298.249 -0.257 50 20 CBGD CCCCSCC(=O)NNC(=O)C(=O)NC1CC1 914461227 VODUXCJMICBIPM-UHFFFAOYSA-N 273.358 -0.054 50 20 CBGD Cn1ccnc(NNC(=O)c2ccnn2CC(F)F)c1=O 1116852330 UZDNFUVCGKEGCJ-UHFFFAOYSA-N 298.253 -0.001 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccnc2c1nnn2C 1116925930 BHURCACZWSPDIO-UHFFFAOYSA-N 263.261 -0.721 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1CCCS(=O)(=O)C1 1118303957 RAKSMCDQMJZCMP-ZETCQYMHSA-N 263.319 -0.886 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCc2c(O)cccc21 1319003785 PTESTAUZTTXIHK-VIFPVBQESA-N 293.279 -0.117 50 20 CBGD Cc1cc(C(=O)NNC(=S)NC[C@H]2CCOC2)n[nH]1 1320025725 CGNUNDMMWIDTLD-MRVPVSSYSA-N 283.357 -0.136 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccccc1C 1323434486 UXSDQTNVPHAQHR-UHFFFAOYSA-N 265.269 -0.002 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H]1CCCN1C(N)=O 1323483007 NWVORPVOUROYSI-ZETCQYMHSA-N 257.294 -0.730 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)N[C@@H](CO)CCF 1326937558 KYDAVADKVWWJLB-SNVBAGLBSA-N 284.291 -0.325 50 20 CBGD CNC(=O)CCCCC(=O)NN(C)C(=S)NC 1328342235 YVVVKZRIWCCNGS-UHFFFAOYSA-N 260.363 -0.240 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cccnn1 1329252220 GITLGHWOKRGRON-WCBMZHEXSA-N 279.300 -0.268 50 20 CBGD NC(=O)CCCC(=O)NNC(=O)NCC(F)(F)F 1339803764 PZRRBEFZOOZHPD-UHFFFAOYSA-N 270.211 -0.465 50 20 CBGD Cn1nnc2c1C[C@H](C(=O)NNC(=O)c1ccc[nH]1)CC2 1343483037 KIPBQMPNLKPISC-MRVPVSSYSA-N 288.311 -0.291 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnn2c1NCCC2 1347704146 JRNGCKNGKKEQPT-IUCAKERBSA-N 293.327 -0.115 50 20 CBGD Cc1nccnc1CCNC(=O)NNC(=O)c1cn[nH]c1 1348110691 MBIOCGJTPKYTOI-UHFFFAOYSA-N 289.299 -0.305 50 20 CBGD CO[C@]1(C(=O)NNc2ccccn2)CCS(=O)(=O)C1 1350585385 JTPNLNKYSHQPJT-LLVKDONJSA-N 285.325 -0.272 50 20 CBGD COc1cc(O)ncc1C(=O)NN(C)C[C@H](C)O 1355106474 SYUAZLCONZOMLC-ZETCQYMHSA-N 255.274 -0.247 50 20 CBGD O=C(NCCF)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1593082591 OLMQRVXPIUQASH-UHFFFAOYSA-N 293.262 -0.220 50 20 CBGD CC[C@H](C(=O)O)C(=O)NNC(=O)c1ccccn1 1594755160 DBNJXOWRVFTTCQ-ZETCQYMHSA-N 251.242 -0.047 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)Nc1cc(C(=O)O)ccn1 1594780537 VTFJJOWCDQBZRZ-UHFFFAOYSA-N 290.239 -0.031 50 20 CBGD CC[C@H](CNC(=O)c1cccc(B(O)O)c1)C(=O)O 1605039407 MSTUKVOGUDFGLK-MRVPVSSYSA-N 265.074 -0.793 50 20 CBGD Cn1nncc1NNC(=O)Cc1cccc(-c2nn[nH]n2)c1 1606286544 RZRPDVQIQGWIIW-UHFFFAOYSA-N 299.298 -0.319 50 20 CBGD O=C(CCn1cncn1)NNC(=O)c1ccccc1O 48411860 JBTFJUICLJEZAG-UHFFFAOYSA-N 275.268 -0.165 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NN(C)C(=O)NCC 273028124 SKIPAYCFSHQGRX-SSDOTTSWSA-N 259.310 -0.484 50 20 CBGD COc1ncccc1NC(=O)NNC(=O)CN(C)C 274265533 ZMDWJBLZDXTONG-UHFFFAOYSA-N 267.289 -0.196 50 20 CBGD COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)C(C)(C)O 276254252 MLCWQEXZXFZXKG-QMMMGPOBSA-N 289.332 -0.325 50 20 CBGD COc1nccnc1NNC(=O)CCn1cnccc1=O 293710747 LSPBQMWNWZIWSA-UHFFFAOYSA-N 290.283 -0.425 50 20 CBGD COC(=O)NCC(=O)NNC(=O)c1ccncc1 490750626 DBNADBYPQJZHJY-UHFFFAOYSA-N 252.230 -0.801 50 20 CBGD COC(=O)NNC(=O)Nc1cccc(C(N)=O)n1 494167752 WZHIGXJZTMOVLI-UHFFFAOYSA-N 253.218 -0.427 50 20 CBGD CC(C)S(=O)(=O)CC(=O)Nc1cccc(B(O)O)c1 584909861 JJCGYBQJIZTXFF-UHFFFAOYSA-N 285.130 -0.872 50 20 CBGD O=C(N[C@@H]1CCN2CCCC[C@H]12)c1ccc(B(O)O)cc1 584928632 DZJJTEVOKLTWJP-ZIAGYGMSSA-N 288.156 -0.277 50 20 CBGD C[C@H]1C[S@@](=O)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584948976 JQBPXUQOMUDELJ-FHZGZLOMSA-N 299.132 -0.902 50 20 CBGD CN(C(=O)c1ccc(B(O)O)cc1)[C@@H]1CCSC1 584966972 NXAXWOCRYPEFIW-LLVKDONJSA-N 265.143 -0.056 50 20 CBGD CN1CCN(C(=O)c2cccc(B(O)O)c2)C(C)(C)C1 584970513 ZSIHANVTEXBQOZ-UHFFFAOYSA-N 276.145 -0.467 50 20 CBGD C[C@H](C[S@](C)=O)N(C)C(=O)c1cccc(B(O)O)c1 584973168 MNGPLBVJSBMOAH-HOGDKLEQSA-N 283.158 -0.795 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O 584986604 HBJLZJQMHCNHJX-SAUGFPQOSA-N 287.124 -0.792 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H]2CCOC[C@H]2C1 585005002 UPYCNWXNQKTIHU-WDEREUQCSA-N 293.103 -0.386 50 20 CBGD OB(O)c1ccc(CNC[C@@H](O)C2CC2)c(F)c1 585040305 IJNHXHNVXOWYGK-GFCCVEGCSA-N 253.082 -0.634 50 20 CBGD CCCOc1ccc(S(=O)(=O)NCB(O)O)cc1 585054669 PIEYPPJHSRXNOA-UHFFFAOYSA-N 273.119 -0.234 50 20 CBGD O=C(COC1CCOCC1)NNC(=O)NCC1CC1 735271698 UVSFWPUIPZNXPS-UHFFFAOYSA-N 271.317 -0.078 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)NC1CCCC1 744060466 CPSFJROBVPNYDF-ZETCQYMHSA-N 256.306 -0.216 50 20 CBGD C=CCCCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 748529736 QZARIOKJHUADNI-VIFPVBQESA-N 289.357 -0.140 50 20 CBGD NC(=O)[C@H]1CC[C@H](CNC(=O)NNc2ncccn2)O1 760202235 DIUOXGWDMWFTPU-HTQZYQBOSA-N 280.288 -0.864 50 20 CBGD CN1CCC[C@@H]2CN(CC(=O)NNC(=O)C3CC3)CC[C@H]21 766991222 ZZEQHKAYUOBBCR-CHWSQXEVSA-N 294.399 -0.040 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(C(N)=O)CCC1 769113148 JAOBBTICQOYTIL-SSDOTTSWSA-N 285.300 -0.869 50 20 CBGD CNC(=O)CN(C)[C@H](C)C(=O)NNC(=O)CC(C)C 771794461 BKPWCFWOWKXHBQ-SECBINFHSA-N 272.349 -0.754 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 775249165 GWADKWKSNFRZIB-UHFFFAOYSA-N 298.324 -0.794 50 20 CBGD COCCOC(=O)CSCC(=O)NNC(=O)C1CC1 783530817 RVNDLIGTELFEET-UHFFFAOYSA-N 290.341 -0.533 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](C)O[C@@H](COC)C1 784374023 UOCUHEPSVMSHAU-OUAUKWLOSA-N 287.360 -0.332 50 20 CBGD COc1ccc(CC(=O)NNC(=O)Cc2cc[nH]n2)nc1 789935799 XOHDMAHFKHFIMP-UHFFFAOYSA-N 289.295 -0.254 50 20 CBGD CC(C)C(CS(=O)(=O)N(C)C)=NNC(N)=O 794855911 CVAYXYSZUUWAHA-UHFFFAOYSA-N 250.324 -0.442 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)Cc2cc[nH]n2)n1 810356656 LSBVNEPNIGIELW-UHFFFAOYSA-N 270.252 -0.320 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(F)(F)[C@H](CO)C1 812859588 OQQPYYGTOBLWPD-BDAKNGLRSA-N 293.314 -0.118 50 20 CBGD CCCONC(=O)NNC(=O)[C@H](C)OCCOC 828283580 VKEJTUMHDJOMDO-QMMMGPOBSA-N 263.294 -0.290 50 20 CBGD CCNC(=O)N(C)NC(=O)C[C@H]1CCC(=O)N1C 831859000 XVLVOEBPTRSPLR-MRVPVSSYSA-N 256.306 -0.310 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCN1CCOC1=O 843643713 AFRBXNDAJDLVLL-BDAKNGLRSA-N 285.300 -0.599 50 20 CBGD O=C(NCCN1CCCC1=O)NNc1cccnn1 845479320 LSKHWHLNGVOXOE-UHFFFAOYSA-N 264.289 -0.275 50 20 CBGD COC(=O)c1cc(C)sc1NC(=O)C(=O)NNC(C)=O 845918606 NSYXVUHHLQSBLK-UHFFFAOYSA-N 299.308 -0.051 50 20 CBGD CC(C)(C)C(=O)NNC(=O)[C@H]1CCCS1(=O)=O 847345951 ORSAVMVTNIYGAJ-SSDOTTSWSA-N 262.331 -0.243 50 20 CBGD CC(=O)N[C@@H](CC(=O)N(C)CC(Cl)Cl)C(N)=O 848081697 JKXLBHNBXPLRNH-LURJTMIESA-N 284.143 -0.371 50 20 CBGD O=S(=O)(CCl)NC[C@H](O)C1CCOCC1 849379118 PQJPRBPQBOAGKU-QMMMGPOBSA-N 257.739 -0.110 50 20 CBGD C=C[C@H](CO)N[C@H](C)C(=O)NNC(=O)CC(C)C 852714683 YOCIZALVLGPUJP-NXEZZACHSA-N 257.334 -0.295 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@@H]2CCO[C@H]2CN)n1 852801413 ZUCWDBQXLZLWBD-ZJUUUORDSA-N 265.317 -0.100 50 20 CBGD O=C(NN=Cc1ncc[nH]1)[C@@H]1CN2CCC[C@@H]2CO1 853387956 VZSWWCHFSLUJLV-ZJUUUORDSA-N 263.301 -0.277 50 20 CBGD O=C(NCC(Cl)Cl)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 854450120 AGAHOMODSFYNDF-ATRFCDNQSA-N 270.112 -0.681 50 20 CBGD C[C@@H](CC(N)=O)C(=O)NNC(=O)CC(F)(F)F 855000662 MJYUPORFDFVKFC-BYPYZUCNSA-N 255.196 -0.402 50 20 CBGD COC[C@H](NC(=O)NNC(=O)c1cn[nH]c1)[C@H]1CCCO1 858406809 WIFCBKLSMNAQFV-VHSXEESVSA-N 297.315 -0.452 50 20 CBGD O=C(NNC(=O)[C@@]1(O)CCSC1)c1cn[nH]c1 862470495 GMBUBFROOTVALN-SECBINFHSA-N 256.287 -0.961 50 20 CBGD CCS(=O)(=O)N[C@@H](C)C(=O)NN=c1cc[nH]c(C)c1 862514104 QHSMNWBUHAMXAM-VIFPVBQESA-N 286.357 -0.417 50 20 CBGD O=C1CC[C@@H](C(=O)NN=Cc2ccc(O)cc2O)N1 863145400 AXAQPNQWOSUHML-VIFPVBQESA-N 263.253 -0.174 50 20 CBGD COc1ncc(C=NNC(=O)CS(C)(=O)=O)s1 863185777 BSOMJFREKARMLS-UHFFFAOYSA-N 277.327 -0.354 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)n1C 863460176 ZRBGTBUSEKABDO-UHFFFAOYSA-N 273.314 -0.861 50 20 CBGD CCO[C@@H](CC(=O)NNC(=O)CS(C)(=O)=O)C(C)C 863462238 MFFIQNNJJOJBMB-VIFPVBQESA-N 294.373 -0.370 50 20 CBGD CCc1ncsc1C(=O)NNC(=O)CS(C)(=O)=O 863464139 IEQGDPAEZJQMDR-UHFFFAOYSA-N 291.354 -0.489 50 20 CBGD CN(C)CCn1cc(C(=O)NNC(=O)NCC2CC2)cn1 865015814 KYMDWQPBNHSEND-UHFFFAOYSA-N 294.359 -0.201 50 20 CBGD CCOC1CC(C(=O)NNC(=O)COCCOC)C1 869904894 IABWBQVCYVZLMM-UHFFFAOYSA-N 274.317 -0.388 50 20 CBGD COC(OC)C(=O)NNC(=O)COc1ccccc1F 873777844 CGPRPSSAYVMNPN-UHFFFAOYSA-N 286.259 -0.029 50 20 CBGD CC[C@]1(O)CCCN(CC(=O)NNC(=O)C2CC2)C1 879312186 GDMUMZKWXACGKQ-ZDUSSCGKSA-N 269.345 -0.219 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC/C=C/Cl)N1 899033445 DWBDNQSTWXCNPQ-VMQRWORZSA-N 260.681 -0.652 50 20 CBGD C=CC(=O)N(CC)CC(=O)NNC(=O)NC(C)C 900418005 UBXUUAJZAVZZJD-UHFFFAOYSA-N 256.306 -0.240 50 20 CBGD CC1(OCC(=O)NNC(=O)CN2CCCC2=O)CCC1 913731389 GOCXPBBZHIMCSO-UHFFFAOYSA-N 283.328 -0.285 50 20 CBGD CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)CN2CCCC2=O)C1 913733178 YOADMJTUOLQBNO-GHMZBOCLSA-N 297.355 -0.039 50 20 CBGD O=C(NNC(=O)c1cnn[nH]1)c1cc([N+](=O)[O-])c[nH]1 918279619 ASESRIFMLAGNQV-UHFFFAOYSA-N 265.189 -0.884 50 20 CBGD CCOc1cnc(C(=O)NNc2nnc(C)c(O)n2)cn1 1116697067 BDQQVRJTJYUJIG-UHFFFAOYSA-N 291.271 -0.169 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@H]2CCCOC2)N1 1118858886 XSAJSQITWDJJNT-RKDXNWHRSA-N 284.316 -0.978 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCCC2CCOCC2)N1 1118859355 ADQKNVFHTRDMOX-SNVBAGLBSA-N 298.343 -0.588 50 20 CBGD Cc1nn[nH]c1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1261500817 HLXHYUSANJNYFY-RQJHMYQMSA-N 253.262 -0.701 50 20 CBGD CN(C)CCn1ccc(C(=O)NNc2cccnn2)n1 1261549024 JBHZDDBZQALOBS-UHFFFAOYSA-N 275.316 -0.008 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(C)[nH]n1 1318664652 ZXBUORDKQRDYSQ-UHFFFAOYSA-N 281.316 -0.216 50 20 CBGD Cc1ncccc1NC(=O)C(=O)NNC(=O)CN(C)C 1320357105 LVIORRKEGVPQTK-UHFFFAOYSA-N 279.300 -0.962 50 20 CBGD O=C(CO[C@H]1CCOC1)NNc1nc2ccccn2n1 1320712509 XSIAAZACGNRYCW-VIFPVBQESA-N 277.284 -0.022 50 20 CBGD CN1C(=O)Cc2cc(NC(=O)NNC(=O)CCO)ccc21 1320995185 XGPBWHHKPMSZIK-UHFFFAOYSA-N 292.295 -0.259 50 20 CBGD COCn1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n1 1328342800 PJTDXIPDGDSWJM-BDAKNGLRSA-N 282.300 -0.327 50 20 CBGD CC(C)C(=O)NNC(=O)NCCS(C)(=O)=O 1340125559 NFOHOGQYCCTMHH-UHFFFAOYSA-N 251.308 -0.983 50 20 CBGD CO[C@@H]1CCC[C@@H]1C(=O)NNC(=O)c1cn[nH]c1 1517991308 DXUVXNASRZRWTK-DTWKUNHWSA-N 252.274 -0.014 50 20 CBGD C=C(C)C[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)O 1588543840 OUNITXXRXHREOU-LLVKDONJSA-N 295.075 -0.345 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNc2ccn(C)n2)O[C@H]1C(=O)O 1599875786 HDKYATUHEHXUMX-ZXFLCMHBSA-N 268.273 -0.259 50 20 CBGD Cn1nnc(C(=O)NNc2ccccc2C(=O)O)n1 1601040638 MSHNQWCLQMORLF-UHFFFAOYSA-N 262.229 -0.335 50 20 CBGD CC(C)C(=O)NNC(=O)CNC1(C(=O)O)CCCC1 1602959281 KUVURMVWJGQNDF-UHFFFAOYSA-N 271.317 -0.223 50 20 CBGD O=C(NNC(=O)[C@H](C(=O)O)C1CC1)c1ccc[nH]1 1605814713 PKORMRWJYQUYKG-MRVPVSSYSA-N 251.242 -0.114 50 20 CBGD Cn1ncc(CCC(=O)NNc2ccc(C(=O)O)cn2)n1 1608157501 IMUMOCGLPUZHNH-UHFFFAOYSA-N 290.283 -0.016 50 20 CBGD COC(=O)NCC(=O)NNc1ccc(C(=O)O)cn1 1610187569 KAAJNXWMTLWWOP-UHFFFAOYSA-N 268.229 -0.421 50 20 CBGD O=C(Cn1cnc([N+](=O)[O-])n1)NNC(=O)c1cccs1 48603046 ZCVRHGACGCFILC-UHFFFAOYSA-N 296.268 -0.291 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)CCN1 88060699 JIKXUIDCEGJNIJ-LLVKDONJSA-N 276.340 -0.259 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cnn(C)c2C)[nH]n1 153084489 AYHQFPYIZHPAQC-UHFFFAOYSA-N 262.273 -0.165 50 20 CBGD O=C(NNc1cnccn1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 178241016 SQBFLGVOQNMFMA-MRVPVSSYSA-N 287.283 -0.304 50 20 CBGD CCC(CC)N1C[C@H](C(=O)NNC(=O)NC)CC1=O 264260734 PGPROGCDTXJXQJ-MRVPVSSYSA-N 270.333 -0.016 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H](C)S(C)(=O)=O)n1 266888173 DQUNZHQIARBOAT-SSDOTTSWSA-N 288.329 -0.330 50 20 CBGD COC(=O)CCNC(=O)CN1CC=C(C#N)CC1 272688726 TXWAZZJANYBWLW-UHFFFAOYSA-N 251.286 -0.179 50 20 CBGD CC(C)c1[nH]nc(C(=O)NNC(=O)C(C)(C)O)c1[N+](=O)[O-] 277897787 GJOURDYOGRBUAB-UHFFFAOYSA-N 299.287 -0.027 50 20 CBGD CC[C@@](C)(OC)C(=O)NNC(=O)C(=O)NC(C)C 280652434 DRTROUVDOPHQOG-LLVKDONJSA-N 259.306 -0.527 50 20 CBGD CC1=C(C(=O)NNC(=O)C2CCC2)Cn2nnnc2N1C 281063276 YXVODGQTDZOBRB-UHFFFAOYSA-N 291.315 -0.656 50 20 CBGD CO[C@H](C(=O)NNC(=O)NC(C)C)c1cnn(C)c1 281532613 IGWABDSSONMVHA-VIFPVBQESA-N 269.305 -0.154 50 20 CBGD CS(=O)(=O)N1CC[C@H](NS(=O)(=O)CCl)C1 400119211 KNDVTKWIAXUIBO-LURJTMIESA-N 276.767 -0.864 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)[C@H](C)CO1 584927127 CUEXCZCCXDUUBG-BDAKNGLRSA-N 281.092 -0.245 50 20 CBGD C[C@@H]1OCCN(C(=O)c2cc(B(O)O)ccc2F)[C@@H]1C 584962157 BFMKOPZNIFQWLN-BDAKNGLRSA-N 281.092 -0.245 50 20 CBGD CC(C)C(=O)NCCN(C)C(=O)c1cccc(B(O)O)c1 584969509 MTFPPSHPIPKTFZ-UHFFFAOYSA-N 292.144 -0.789 50 20 CBGD Cc1nc([C@@H](C)NC(=O)c2ccc(B(O)O)c(F)c2)n[nH]1 584989048 KFCKDBGYGGQGFB-ZCFIWIBFSA-N 292.079 -0.577 50 20 CBGD C[C@@](CO)(CCF)NC(=O)c1cc(B(O)O)ccc1F 585010760 PFIUYECEYREHTO-LBPRGKRZSA-N 287.071 -0.654 50 20 CBGD CS[C@H](CO)[C@H](C)NCc1cccc(B(O)O)c1 585029451 RKMFSWRAIUJWSH-JOYOIKCWSA-N 269.175 -0.432 50 20 CBGD OCC[C@@H](NCc1ccccc1B(O)O)C1CCOCC1 585036082 DHAFSLHNWBAVRA-OAHLLOKOSA-N 293.172 -0.366 50 20 CBGD CCn1cc(CNCc2ccccc2B(O)O)cn1 585041513 YQYNFAVWQXKWCP-UHFFFAOYSA-N 259.118 -0.127 50 20 CBGD CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCB(O)O 585054030 GGFSFWJNSAVCIM-CMPLNLGQSA-N 292.144 -0.041 50 20 CBGD O=S(=O)(CCc1ccccc1Cl)NCB(O)O 585057737 YMKVDQFZQOHQCM-UHFFFAOYSA-N 277.538 -0.186 50 20 CBGD O=C(CN1C(=O)CSc2ccccc21)NCB(O)O 585058371 YTRQDVOHERSOBU-UHFFFAOYSA-N 280.114 -0.747 50 20 CBGD COc1ccccc1C(=O)NNC(=O)Cn1cnnn1 731491118 FMIISBWQFMHCRN-UHFFFAOYSA-N 276.256 -0.857 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@H]1CCN(C(C)C)C1=O 734217576 AAKFPEILBGAVNQ-VIFPVBQESA-N 270.333 -0.018 50 20 CBGD N#CC1(C(=O)NNC(=O)C(=O)N2CCCC2)CCC1 736073365 HKLNVNRRWCHASI-UHFFFAOYSA-N 264.285 -0.550 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(C(=O)O)CC1 736846639 ICNVZFSVLSHNEW-MRVPVSSYSA-N 272.305 -0.772 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@@H]2COCCO2)n1 740114248 SEMIKUSTKDRICQ-QMMMGPOBSA-N 267.289 -0.599 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC2CCCC2)CN1 744053194 GHEAJTQNBCLFSY-QMMMGPOBSA-N 268.317 -0.214 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)Cc2cccnc2)C1 746218925 NSQMQKJVVYHLLI-LLVKDONJSA-N 278.312 -0.898 50 20 CBGD C[C@H]1[C@@H](C)N(CC(=O)NNC(=O)C2CC2)CCN1C 771465752 DCGLZAIIAWXVRA-VHSXEESVSA-N 268.361 -0.432 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)NC(=O)CC 771996540 XHPVKJMVHFOONS-SFYZADRCSA-N 287.316 -0.610 50 20 CBGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)N2CCOCC2)C1 773061660 MSKICWIPYZVDGC-JTQLQIEISA-N 298.343 -0.682 50 20 CBGD COCC1(C(=O)NNC(=O)c2cnn(C)c2)CC1 778766686 YNVLTRIWHOYMLX-UHFFFAOYSA-N 252.274 -0.392 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)C[C@@H](C)C(=O)OC 782477973 FALCKPVBPSCAMS-SSDOTTSWSA-N 281.334 -0.709 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](C)S(=O)[C@H](C)C1 792391812 HWPKOQNRZDMABS-BBBLOLIVSA-N 289.401 -0.226 50 20 CBGD CCN([C@H]1CCNC1=O)S(=O)(=O)CBr 799828010 RLJMEFRBCDWJPC-LURJTMIESA-N 285.163 -0.121 50 20 CBGD O=C(NN=C1COCCOC1)C(=O)N1CCCC1 814824760 JQRMKUMDGSTBTQ-UHFFFAOYSA-N 255.274 -0.872 50 20 CBGD COCC(=O)N[C@H](C(=O)NN(C)C1CC1)C(C)C 819647481 PZOWGUZDLZTZSD-NSHDSACASA-N 257.334 -0.101 50 20 CBGD CCN(CCO)NC(=O)C1=C(C)N(C)c2nnnn2[C@@H]1C 823889425 WBJPMZUDKQPEFJ-SECBINFHSA-N 295.347 -0.697 50 20 CBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CO1 827258675 CLMZNRUQAPWVAS-DOLQZWNJSA-N 271.317 -0.081 50 20 CBGD CC(=O)NCCN(C)[C@@H](C)C(=O)NNC(=O)CC(C)C 830148301 QLEHTKYNKHVFTO-JTQLQIEISA-N 286.376 -0.364 50 20 CBGD Cc1cc(C(=O)NNC(=O)C[C@@H]2CCC(=O)N2)n[nH]1 831418312 LNTRTWMYVRDLQD-ZETCQYMHSA-N 265.273 -0.852 50 20 CBGD O=C(NNC(=O)C(F)(F)C1(O)CCC1)c1ncccn1 841444195 DHNORACDNQCJRR-UHFFFAOYSA-N 286.238 -0.212 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@H]1CCCC(=O)N1 843658754 VKXDRNSIWDIVKS-IVZWLZJFSA-N 283.328 -0.382 50 20 CBGD CN(NC(=O)[C@@H]1CCS(=O)(=O)N1)C(=O)OC(C)(C)C 846254133 JEXZODWEFLGBQS-ZETCQYMHSA-N 293.345 -0.424 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccnc(N)c1[N+](=O)[O-] 847856866 VICYZWNPQCZKEC-UHFFFAOYSA-N 283.244 -0.896 50 20 CBGD CC1=NO[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)C1 854377835 XDBXNYJQAXLKIA-VIFPVBQESA-N 263.257 -0.179 50 20 CBGD CN(C)C[C@@H](CO)NC(=O)/C(C#N)=C\c1cnn(C)c1 854466179 XWKNAIODBXCHQI-MCWZUMHDSA-N 277.328 -0.634 50 20 CBGD O=C(CC1CCCC1)NNC(=O)[C@H]1CCNC1=O 857091723 KFMJDJLPPLMGIT-VIFPVBQESA-N 253.302 -0.150 50 20 CBGD CCCCN(C)CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858283101 XMLURCNOEQECSJ-SNVBAGLBSA-N 299.375 -0.673 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 862449302 DVALJMDQMFNWOV-VIFPVBQESA-N 262.269 -0.570 50 20 CBGD Cc1cncc(/C=C\C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862457307 GMMIVVKMDBXVJX-MORRKMRCSA-N 288.307 -0.171 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cccc2ncn(C)c12 863865721 YJJYOTGXQALAQS-UHFFFAOYSA-N 275.312 -0.104 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCCC2(C1)OCCO2 863876416 YJMCJDBNJVNCSU-UHFFFAOYSA-N 291.112 -0.655 50 20 CBGD CCOC(=O)C[C@@H](C)CNC(=O)c1ccc(B(O)O)cc1 863878193 NYRKMJXOLHLEAT-SNVBAGLBSA-N 293.128 -0.315 50 20 CBGD COc1ccnc(NNC(=O)/C=C2/SCC(=O)N2C)n1 873984109 VLYXUFADDVIQCS-BJMVGYQFSA-N 295.324 -0.025 50 20 CBGD Cc1nc([C@H](C)NCc2ccccc2B(O)O)n[nH]1 894777794 MBTPWCYYHFHOSU-QMMMGPOBSA-N 260.106 -0.356 50 20 CBGD CN1C(=O)CCC[C@@H]1C(=O)NNC(=O)Cc1ccncc1 906888902 JZYKEDHCJCRFID-LLVKDONJSA-N 290.323 -0.218 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCc2nccn2C1 910146104 XUZQHSFSGUHHFQ-VHSXEESVSA-N 252.318 -0.211 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CNC(=O)OC(C)(C)C 910168458 OTVICYMIEKFMJT-MRVPVSSYSA-N 261.322 -0.145 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CNC(=O)Cc1ccccc1 910180217 JAPCHGQDECTXAE-LLVKDONJSA-N 279.340 -0.311 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc(C#N)cc1F 1116619185 SGGNWFCAIJUDEM-UHFFFAOYSA-N 264.216 -0.197 50 20 CBGD O=C(CO[C@@H]1CCOC1)NNC(=O)NCC(F)(F)F 1116910106 WLJLDMYKDINJFF-ZCFIWIBFSA-N 285.222 -0.315 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCc2ccon2)cn1 1118676832 RLRLPMBQZUFNQY-UHFFFAOYSA-N 263.257 -0.198 50 20 CBGD O=C(CC1CC1)NNC(=O)c1cnn(CCO)c1 1123796870 SLCPOXXMDWAXQF-UHFFFAOYSA-N 252.274 -0.564 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc(-c2ncon2)cc1 1254888475 DOAGEOBEIUFKLD-UHFFFAOYSA-N 289.251 -0.158 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CCc2cnn(C)c2C1 1256524568 WLSZXVQAIBRRQP-SSDOTTSWSA-N 251.290 -0.515 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCc2cncn2C1 1261671773 ZJRKCZRPDKNQTB-SECBINFHSA-N 288.311 -0.441 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCC(O)(C(N)=O)CC1 1325083270 GEEWLKVGWBKMJZ-CMDGGOBGSA-N 267.285 -0.731 50 20 CBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccoc1 1327854627 JQTCYNJOFBTWDN-UHFFFAOYSA-N 275.286 -0.886 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCSC[C@H]1CO 1335836647 GSPSFYNWIVGJFM-SECBINFHSA-N 299.132 -0.945 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)NCC1CC1 1336306088 BNDUMHKBSNUOHK-SNVBAGLBSA-N 270.333 -0.553 50 20 CBGD O=C(CCl)N1CCN(C(=O)C(=O)N2CCCC2)CC1 1336910493 VWOGLSQWABQUOS-UHFFFAOYSA-N 287.747 -0.482 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cnn2c1NC[C@H](C)C2 1347173185 MKUDRISXPVTSJG-IUCAKERBSA-N 267.333 -0.098 50 20 CBGD Cn1cnnc1COCC(=O)NNC(=O)NC1CCCC1 1347645893 AZOHEVRQJXHNEE-UHFFFAOYSA-N 296.331 -0.395 50 20 CBGD CSCC[C@H](NC(N)=O)C(=O)NNC(=O)C(C)C 1348086032 MZDBDVFPSKYKKD-ZETCQYMHSA-N 276.362 -0.420 50 20 CBGD Cn1ncc2cc(C(=O)N3CC[C@H](B(O)O)C3)cnc21 1348490905 XCBNLTYFUNAYLM-JTQLQIEISA-N 274.089 -0.343 50 20 CBGD C[C@H]1C(=O)NCCCN1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1353797429 MYVUXNYXOJYVHW-AEJSXWLSSA-N 298.343 -0.637 50 20 CBGD Cn1ccnc1[C@H]1OCCC[C@@H]1C=NNC(=O)CO 1552449965 RQCWKZOJBKLFHK-KOLCDFICSA-N 266.301 -0.018 50 20 CBGD CC(C)NC(=S)NNC(=O)Cn1cc(C(=O)O)cn1 1591660730 HOSZTYDRNWAHDB-UHFFFAOYSA-N 285.329 -0.515 50 20 CBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)c1nc[nH]c2ncnc1-2 1592359935 OUHMNQOBUGDFMS-YFKPBYRVSA-N 292.255 -0.824 50 20 CBGD C[C@]1(C(=O)N[C@@H](CO)C(=O)O)C[C@@H]1Br 1593755677 URLNDXUXKVHSOE-YQJDLUKNSA-N 266.091 -0.278 50 20 CBGD CO[C@](C)(C(=O)O)C(=O)NN=c1cc[nH]cc1C 1593926575 KCMSUNMUWPLXOD-NSHDSACASA-N 253.258 -0.255 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cccc(C(=O)O)c2)N1 1595282544 LJFXAUCMQSWWFJ-VIFPVBQESA-N 291.263 -0.576 50 20 CBGD O=C(NC[C@H]1C[C@H]1C(=O)O)NNC(=O)c1cn[nH]c1 1601528256 WAXXHSWZIDHBJE-IYSWYEEDSA-N 267.245 -0.926 50 20 CBGD CCNC(=S)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1604356303 ATAKFLIJKYSSAE-UHFFFAOYSA-N 291.340 -0.005 50 20 CBGD CN(C)C(=O)NNC(=O)c1cccc(F)c1-c1nn[nH]n1 1604670760 LQEDBVXOZCKLHX-UHFFFAOYSA-N 293.262 -0.078 50 20 CBGD CCOC(=O)c1cccc(C=NNC(=O)C(=O)O)n1 1605574640 YFCYWODZKCISJC-UHFFFAOYSA-N 265.225 -0.207 50 20 CBGD CN(C)C(=O)NNC(=O)c1csc(C(=O)O)n1 1606002384 YOSLPKPCFFXFSC-UHFFFAOYSA-N 258.259 -0.243 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@@H](C)CC(=O)O 1606900080 CEIUXTXWMODZBX-MRVPVSSYSA-N 276.289 -0.702 50 20 CBGD COCC(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1842688654 RUNNFHIVNNJHIX-SECBINFHSA-N 290.747 -0.564 50 20 CBGD CCOC(=O)NNS(=O)(=O)c1ccc(C(N)=O)cc1 45550774 HRQRGHZAIKZUTN-UHFFFAOYSA-N 287.297 -0.275 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)C(=O)N2CCCC2)c1 132289512 UUQOTZWJNOHFLJ-UHFFFAOYSA-N 286.291 -0.058 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@H]2CN(C)CCO2)n1 173799570 UIPYILHSMMENGM-SNVBAGLBSA-N 265.317 -0.133 50 20 CBGD CN(C)C(=O)NNC(=O)CCOc1cccc(C(N)=O)c1 267632639 XATWHQYVPSFNCC-UHFFFAOYSA-N 294.311 -0.143 50 20 CBGD COC(=O)CCCC(=O)NNC(=O)C(=O)N1CCCC1 274118652 SERZOBYROSRONW-UHFFFAOYSA-N 285.300 -0.901 50 20 CBGD CC(C)(NC(=O)C(F)(F)F)C(=O)NNC(=O)NC1CC1 277140228 VOYLJMBHFVCHFB-UHFFFAOYSA-N 296.249 -0.064 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H](O)CCSC 281388788 XTEVOCANOKGBLP-SSDOTTSWSA-N 263.388 -0.218 50 20 CBGD CO[C@@](C)(C(=O)NNC(=O)C(=O)NC1CC1)C1CC1 290936940 JZENPERUZNXCBW-GFCCVEGCSA-N 269.301 -0.773 50 20 CBGD CN1CCC(NC(=O)c2cccc(B(O)O)c2)CC1 584925853 QKXFXOGBSCUTHX-UHFFFAOYSA-N 262.118 -0.810 50 20 CBGD CCN1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@@H](C)C1 584988015 AYGPEULEFAZVSA-JTQLQIEISA-N 294.135 -0.328 50 20 CBGD CC[C@@H]1COC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 585006141 AYMLUMWFRVJEDY-PRHODGIISA-N 281.092 -0.340 50 20 CBGD C[C@@H](C[S@](C)=O)N(C)Cc1ccc(B(O)O)o1 585034334 HYWCHKXPNFAITF-QPFGOUBPSA-N 259.136 -0.842 50 20 CBGD CC1(C)NC(=O)CC[C@@H]1NCc1ccc(B(O)O)o1 585043093 XEUDZFNVZDKTKR-VIFPVBQESA-N 266.106 -0.894 50 20 CBGD COC[C@H](NCc1ccc(B(O)O)o1)C1CCOCC1 585046120 RDQKGVXOXOLJJS-LBPRGKRZSA-N 283.133 -0.509 50 20 CBGD COc1cccc(CCC(=O)NCB(O)O)c1F 585062366 GNNHMCJSMXKXBP-UHFFFAOYSA-N 255.054 -0.105 50 20 CBGD C[C@H](OC[C@H]1CCCO1)C(=O)N1CC[C@H](B(O)O)C1 585077695 TXYQYIPRNGWLTE-GARJFASQSA-N 271.122 -0.354 50 20 CBGD Cc1nc(N2CC[C@H](B(O)O)C2)sc1S(N)(=O)=O 585079208 VBGLBLKTLJEBJM-LURJTMIESA-N 291.163 -0.848 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=S)NC(C)(C)C 728450367 WQNFTOVSENYUMF-ZCFIWIBFSA-N 296.418 -0.782 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCCN1C 733870783 WUDMWZREUHWGDN-VIFPVBQESA-N 251.290 -0.427 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)C[C@H]1CCOC1 749846980 HSAWFNHOKUNUBU-VHSXEESVSA-N 257.334 -0.099 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(O)nc1 755269023 JVRCAHIOMJAJJN-UHFFFAOYSA-N 261.241 -0.486 50 20 CBGD CCc1ocnc1C(=O)NNC(=O)Cc1cc[nH]n1 755279788 ROQYJNXPUHTGOP-UHFFFAOYSA-N 263.257 -0.036 50 20 CBGD CS[C@@H](C)CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 756871735 VCZQPMDFQJLXIH-YUMQZZPRSA-N 294.398 -0.290 50 20 CBGD COC(=O)CCC(C)=NNC(=O)[C@@H]1CCS(=O)(=O)C1 756881377 PTBXOCZAVCOONL-SECBINFHSA-N 290.341 -0.134 50 20 CBGD CNS(=O)(=O)CC(=O)NN=c1cc[nH]cc1Cl 768445238 YFWDQNZZRATSJX-UHFFFAOYSA-N 278.721 -0.851 50 20 CBGD Cc1cc(C(=O)NN=Cc2cn(CC(=O)O)nn2)n[nH]1 768485777 WFUANYQNDOWOEV-UHFFFAOYSA-N 277.244 -0.842 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)c2ccc[nH]2)C1=O 771930180 NQDXWRYUDLLDLE-SSDOTTSWSA-N 250.258 -0.746 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccnnc1C 772215279 GYDBKDRMEOFSAS-QMMMGPOBSA-N 280.284 -0.112 50 20 CBGD C#C[C@H](C)NC(=O)NNC(=O)CNC(=O)OC(C)(C)C 773599402 ABPRFIXNQOHIPI-QMMMGPOBSA-N 284.316 -0.137 50 20 CBGD CCOc1cnc(C(=O)NNC(=O)N2CCOCC2)cn1 777784341 GBVRVUQKOOCOGE-UHFFFAOYSA-N 295.299 -0.438 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 787250517 APTUEZXEIOHJMQ-DTWKUNHWSA-N 270.333 -0.029 50 20 CBGD COc1cncc(C(=O)NNC(=O)Cc2ccncc2)n1 790716105 UVARZBUASMONAE-UHFFFAOYSA-N 287.279 -0.116 50 20 CBGD CCn1nc(C(=O)NNC(N)=O)c2ccccc2c1=O 798277249 ZZHHNUOHZBMWJK-UHFFFAOYSA-N 275.268 -0.271 50 20 CBGD Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H](CO)NC(N)=O 805386341 AYYVGVJJPCQTDR-VIFPVBQESA-N 297.271 -0.624 50 20 CBGD CC[C@](C)(C#N)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 806788756 XODOOWRRVGUVHR-OIBJUYFYSA-N 290.345 -0.989 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2nccs2)CC1 807380667 ZNFAVIQWXYJGMC-UHFFFAOYSA-N 269.330 -0.255 50 20 CBGD Cc1c[nH]nc1C=NNC(=O)[C@@H](C)NS(C)(=O)=O 814835723 ZSQUOSZZVBYBRM-SSDOTTSWSA-N 273.318 -0.894 50 20 CBGD COCCS(=O)(=O)CC(=O)NCC(Cl)Cl 819795636 ZULRLQXHBURSOI-UHFFFAOYSA-N 278.157 -0.033 50 20 CBGD CN1C(=O)CC[C@H](NC(=O)NNc2ccccn2)C1=O 823897888 JDTZXHBRJMYQMY-QMMMGPOBSA-N 277.284 -0.145 50 20 CBGD COC(=O)CCCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 825566756 ODWFKSLCAXBORV-BDAKNGLRSA-N 287.316 -0.305 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](CO)C1CC1 827282038 JYYXMOGSYPMZIN-FXBDTBDDSA-N 271.317 -0.487 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=S)NCCN(C)C 843277407 QAGISUJRNLEVNN-RKDXNWHRSA-N 274.390 -0.532 50 20 CBGD CC(C)c1nnnn1CC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843656090 XGEGNNLJAHZUCW-IUCAKERBSA-N 296.331 -0.631 50 20 CBGD CCn1ccc(CC(=O)NNC(=O)c2ncccn2)n1 844583976 KFRPAZJFNCWFDC-UHFFFAOYSA-N 274.284 -0.303 50 20 CBGD CC(C)C(=O)NNC(=O)CN(C)Cc1cnc[nH]1 852288866 UMJKWOZJLXFIHJ-UHFFFAOYSA-N 253.306 -0.355 50 20 CBGD NC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2cc[nH]n2)C1 855356142 HYIVWZKPVDUUJZ-HTQZYQBOSA-N 279.300 -0.538 50 20 CBGD Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CCNC2=O)cc1 856792098 ZGMQSWVKSQHBCM-LLVKDONJSA-N 290.323 -0.310 50 20 CBGD C[C@]1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCCO1 858290751 XGEZUCABTLNMQT-QPUJVOFHSA-N 284.316 -0.836 50 20 CBGD COC[C@@H]1CCCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 858702040 WSPKLVMFVSRBBZ-DTWKUNHWSA-N 284.316 -0.883 50 20 CBGD C[C@H]1CC(=NNC(=O)[C@H]2CCC(=O)N2)CN1C1CC1 863148663 HLIJNMYAJXXWLT-GZMMTYOYSA-N 264.329 -0.006 50 20 CBGD COC(=O)CCCNC(=S)NNC(=O)c1cn[nH]c1 863205060 PNFFSHHOZDUPDX-UHFFFAOYSA-N 285.329 -0.528 50 20 CBGD COC(=O)C(C)(C)NC(=O)c1cc(B(O)O)ccc1F 863869192 JFXRHJXRSBNPLS-UHFFFAOYSA-N 283.064 -0.813 50 20 CBGD CC(C)[C@H](NC=O)C(=O)NNc1ncnc2[nH]cnc12 863881768 VKNCDLSDGYYUGR-ZETCQYMHSA-N 277.288 -0.433 50 20 CBGD O=C1CC[C@@]2(C(=O)NNc3ncccn3)SCCN12 913043858 BAASWOYEVNRUEJ-NSHDSACASA-N 279.325 -0.015 50 20 CBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CC#N)c1 1116662695 BJHLYVSKSYNLCJ-UHFFFAOYSA-N 281.293 -0.235 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccc(=O)n(CC)n1 1254373359 DUAHWIHDXOAZMK-UHFFFAOYSA-N 267.289 -0.431 50 20 CBGD CO[C@H](CN)CC(=O)NNc1nncc(N)c1Cl 1261494703 AEEZLPBPBNONCT-YFKPBYRVSA-N 274.712 -0.481 50 20 CBGD CNC(=O)NNC(=O)c1c(C)nn(C)c1-n1cccn1 1320458574 HJBUFOCWTWHYKD-UHFFFAOYSA-N 277.288 -0.512 50 20 CBGD COc1ncccc1NC(=O)NNC(=O)CCO 1325574275 MHDHELKUAVIXIZ-UHFFFAOYSA-N 254.246 -0.375 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CC1CC(F)(F)C1 1329134197 FRCILJWAXVUXPJ-UHFFFAOYSA-N 284.284 -0.386 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H](F)C(F)(F)F)N1 1329201717 OLGBHCMQJONONT-NQXXGFSBSA-N 271.170 -0.687 50 20 CBGD C[C@@H](CC(=O)NNC(=O)CS(C)(=O)=O)n1ccnc1 1329208627 SISYULAWTVSHAS-QMMMGPOBSA-N 288.329 -0.974 50 20 CBGD Cn1nncc1CNC(=O)NNC(=O)C1CCCC1 1329419964 ANOZMBWCIROLGF-UHFFFAOYSA-N 266.305 -0.164 50 20 CBGD COCc1ncsc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331805206 HGBXNIBOWGNRPB-LURJTMIESA-N 298.324 -0.671 50 20 CBGD CCc1nnsc1C(=O)N1CC[C@H](B(O)O)C1 1331825410 AZBAEQRQTAKFSK-LURJTMIESA-N 255.108 -0.211 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CCCN(C(N)=O)C1 1332366682 MRSGWBSJDZKEFC-SECBINFHSA-N 258.322 -0.878 50 20 CBGD Cc1cnc(CC(=O)NNC(=O)N2CCN(C)CC2)s1 1334389499 NDGFSNNOTNITAV-UHFFFAOYSA-N 297.384 -0.018 50 20 CBGD CCOc1cccc(NC(=O)C(=O)NNC(=O)CCO)c1 1337980485 HGEPSFRLAGGXFU-UHFFFAOYSA-N 295.295 -0.446 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 1338303742 ZJVJGPUJYNAEFD-UHFFFAOYSA-N 281.293 -0.143 50 20 CBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)NC1CC1 1339818889 NFEOTRYLPILGJY-LURJTMIESA-N 263.319 -0.840 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cn(C)cn1 1341306785 BUCDTBALFKDLQY-PSASIEDQSA-N 281.316 -0.325 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)c(O)c1O 1342036237 NWYYSHWLGTYDRB-UHFFFAOYSA-N 295.295 -0.308 50 20 CBGD C[S@](=O)c1ccc(NC(=O)NNC(=O)CO)cc1 1342408001 LAMYAUPWJPDMSS-SFHVURJKSA-N 271.298 -0.431 50 20 CBGD Cc1cnn(CC(=O)NNC(=O)C2CCOCC2)c1 1353031226 XEEQSLMZRBJDKR-UHFFFAOYSA-N 266.301 -0.234 50 20 CBGD CN(N)C(=O)c1nc(S(C)(=O)=O)n2ccccc12 1573882867 QYFXEOVPUGHQMG-UHFFFAOYSA-N 268.298 -0.317 50 20 CBGD CNC[C@@H](O)[C@H](C)C(=O)NNC(=S)Nc1ccccn1 1578647842 XGIIVEYUDKYBET-DTWKUNHWSA-N 297.384 -0.384 50 20 CBGD COc1cc2c(cc1OC)N[C@@H](C(=O)NNC(=O)CO)C2 1579174746 JKEIKADAZQASPB-SECBINFHSA-N 295.295 -0.820 50 20 CBGD Cc1cc(NNC(=O)[C@H]2CCCN(CCN)C2=O)ncn1 1579635985 QWXWXGPOJSLISV-SNVBAGLBSA-N 292.343 -0.575 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@]1(C(=O)O)CC1(C)C 1588796245 XTEVGCOEDJHMDA-LLVKDONJSA-N 258.274 -0.594 50 20 CBGD C[C@H](CC(=O)O)CC(=O)NNC(=O)C(=O)N1CCCC1 1592391884 SGBQKPNLFSRDAK-QMMMGPOBSA-N 285.300 -0.743 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C(=O)O)c1nnc2ccccn12 1593101922 NMHIHZMHPMHEKL-ZCFIWIBFSA-N 292.255 -0.795 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@@H](O)C1CC1 1593165090 UFDWCEDOXGOTGV-VIFPVBQESA-N 275.272 -0.524 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(=O)O)cn1 1594644790 NQFHYROKWGKCMX-IONNQARKSA-N 293.279 -0.034 50 20 CBGD O=C(O)CC1(C(=O)NNC(=O)c2ccnnc2)CCC1 1594976395 QANMOAJNFNYFMK-UHFFFAOYSA-N 278.268 -0.117 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@@H](C(=O)O)C1)c1ccc[nH]1 1601556400 XRVFRTZHLNTYSC-KNVOCYPGSA-N 251.242 -0.114 50 20 CBGD CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)C(=O)O 1603344459 JMQOZANFWWKVJP-ZETCQYMHSA-N 272.305 -0.726 50 20 CBGD CCOC(=O)/C(C#N)=C/Nc1cc(=O)[nH]c(=O)[nH]1 15575536 FEXPNCCUJPCHSA-AATRIKPKSA-N 250.214 -0.554 50 20 CBGD C[C@@H]1CNCCN1CC(=O)NNC(=O)c1cccs1 54373237 QHOSMEPPSXRFNB-SECBINFHSA-N 282.369 -0.197 50 20 CBGD CN1C[C@@H](C(=O)NNC(=O)c2ccccc2)CC1=O 75536629 DJOASPFWOVBOFZ-JTQLQIEISA-N 261.281 -0.074 50 20 CBGD Cn1cccc1C(=O)NNC(=O)COC[C@H]1CCCO1 76948492 ARAJRQKYWWYVCN-SNVBAGLBSA-N 281.312 -0.018 50 20 CBGD CN1N=C(C(=O)NNC(=O)C(C)(C)C)CCC1=O 127235775 VIIZTAOEFQOPQW-UHFFFAOYSA-N 254.290 -0.212 50 20 CBGD NC(=O)COc1cccc(C(=O)NNC(=O)NC2CC2)c1 143264496 QRJMHCUMFFGLEI-UHFFFAOYSA-N 292.295 -0.343 50 20 CBGD CN(CC(=O)NNc1ccnc(F)c1)S(C)(=O)=O 182432312 WRABQXMFSGLXHN-UHFFFAOYSA-N 276.293 -0.445 50 20 CBGD CCOC(=O)c1cnc(NNC(=O)[C@H](C)O)nc1C 272134747 CJIQMICKOSNCHO-ZETCQYMHSA-N 268.273 -0.214 50 20 CBGD CC[C@H](C)[C@@H](O)C(=O)Nc1cccc(B(O)O)c1 584911998 KBIFXODSGQXDCN-GZMMTYOYSA-N 251.091 -0.288 50 20 CBGD CN(C)[C@@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584939194 HEQSRVGMLPUHLX-LLVKDONJSA-N 294.135 -0.328 50 20 CBGD CC(C)C[C@H](CO)NC(=O)c1cccc(B(O)O)c1 584967601 XUOYHFXZWPVFLV-GFCCVEGCSA-N 265.118 -0.497 50 20 CBGD C[C@@H](C[S@](C)=O)N(C)C(=O)c1cccc(B(O)O)c1 584973169 MNGPLBVJSBMOAH-UGZDLDLSSA-N 283.158 -0.795 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)CC[S@](=O)C1 584983844 UYAVHACVQOQORF-FVINQWEUSA-N 295.169 -0.793 50 20 CBGD CO[C@H](C)CN(C)C(=O)c1cc(B(O)O)ccc1F 584989049 KGRIRVBUPDJJMW-MRVPVSSYSA-N 269.081 -0.388 50 20 CBGD C[C@H](CCO)CCNC(=O)c1ccc(B(O)O)cc1 584995759 YQLVJBBYUYPSGJ-JTQLQIEISA-N 265.118 -0.495 50 20 CBGD C=CCC[C@H](CO)NC(=O)c1ccc(B(O)O)c(F)c1 584999201 JPUXCNXSPLDWPE-SNVBAGLBSA-N 281.092 -0.438 50 20 CBGD N#C[C@H]1CC[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1 585001430 WDMYRQQBLWSING-JOYOIKCWSA-N 258.086 -0.212 50 20 CBGD CN1CCC(CNCc2ccc(B(O)O)cc2F)CC1 585022574 RIKGSNPBRZPRQL-UHFFFAOYSA-N 280.152 -0.063 50 20 CBGD CC(C)N1C[C@@H](NCc2ccc(B(O)O)cc2)CC1=O 585030388 ZTFFTAOVNQYADS-ZDUSSCGKSA-N 276.145 -0.535 50 20 CBGD O=S(=O)(NCB(O)O)c1cc(F)c(F)cc1F 585054946 VBQYNRGWBFWVEI-UHFFFAOYSA-N 269.009 -0.606 50 20 CBGD COc1ccc2nc(C(=O)NCB(O)O)ccc2c1 585060897 GZKDRQXTKWXYHE-UHFFFAOYSA-N 260.058 -0.015 50 20 CBGD Cc1ncccc1C(=O)NNC(=O)C(=O)N1CCCC1 731005686 RHQJFOFXXNZTKT-UHFFFAOYSA-N 276.296 -0.227 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=S)NC(C)C 733947708 FKDORFWCBGWWMQ-MRVPVSSYSA-N 263.363 -0.058 50 20 CBGD CCCN(CC(=O)NC)CC(=O)NNC(=O)C(C)(C)C 744402170 NAVQZSCRWRHWBH-UHFFFAOYSA-N 286.376 -0.362 50 20 CBGD C[C@@H](C(=O)NNC(=O)CNC(=O)c1ccco1)N(C)C 750611278 UMXPULXDGCWYDR-QMMMGPOBSA-N 282.300 -0.893 50 20 CBGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)C(C)C)c1C 752898550 LIOKJCXHAJPBQC-UHFFFAOYSA-N 266.301 -0.186 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)CC(F)(F)F)C1 754421928 ANAMKXIWVHNRDQ-LURJTMIESA-N 269.223 -0.583 50 20 CBGD COc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)nn1 755279472 MYDKVXSHNHCGPX-UHFFFAOYSA-N 276.256 -0.788 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H](C)C1CC1 758043640 JBHKXFVJLPPYJM-HTQZYQBOSA-N 291.373 -0.492 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)C)C1CC(O)C1 759874906 RXDCTZHZVYXRPC-UHFFFAOYSA-N 257.334 -0.365 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1C[C@@H](C)N(C)C1 761810647 SUERDBKZFKIWJB-SFYZADRCSA-N 276.362 -0.880 50 20 CBGD O=C(CCn1ccnn1)NNc1ncc(F)cn1 762079668 HQYXTZSTYZDADH-UHFFFAOYSA-N 251.225 -0.259 50 20 CBGD C[C@H](NC(=O)NNc1cccnn1)[C@@H]1CN(C)CCO1 770117925 GZLNJSKHQZZCSW-UWVGGRQHSA-N 280.332 -0.178 50 20 CBGD COCC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C 771894328 YKPXBEIDMXYBNL-QMMMGPOBSA-N 260.290 -0.242 50 20 CBGD COc1ccnc(NNC(=O)[C@H](C)CC(N)=O)n1 773776188 FXHICSVNDSVQNE-ZCFIWIBFSA-N 253.262 -0.560 50 20 CBGD COCCOc1cc(C(=O)NN(C)C(N)=O)ccn1 778415182 RUPXSBGFKAOTJI-UHFFFAOYSA-N 268.273 -0.238 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](C)O[C@H](CO)C1 787320598 MBLLRGMOUMBIAD-GUBZILKMSA-N 273.333 -0.986 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CCc2nc[nH]n2)n1 794082847 BTPOQKDMEPFQGN-UHFFFAOYSA-N 274.284 -0.098 50 20 CBGD Cn1nnc2c(C(=O)NNC(=O)c3cccnc3)ccnc21 801102504 USSFGBFYTPGBQT-UHFFFAOYSA-N 297.278 -0.167 50 20 CBGD CCC(=O)NN/C=C1/C(=O)NC(=S)N(CC(C)C)C1=O 814318288 INDSTOITJKECTR-YVMONPNESA-N 298.368 -0.200 50 20 CBGD CC[C@H](CS(=O)(=O)NNC(=O)NC(C)C)OC 817351029 PCUGYDWRFVTSQD-MRVPVSSYSA-N 267.351 -0.047 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccc2c(c1)nnn2C 823959150 BXQXMVNRXHDTDC-MRVPVSSYSA-N 263.301 -0.074 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNc1cccc(-c2nn[nH]n2)c1 823988671 HWJDPTZWFBYHSV-SSDOTTSWSA-N 289.299 -0.166 50 20 CBGD CC(C)[C@](C)(O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843970900 MVIFYKTVKGPTLE-AUTRQRHGSA-N 258.318 -0.034 50 20 CBGD CC(C)CC(=O)NNS(=O)(=O)N1CCCOCC1 844648780 ZXAHVISCHVBLPL-UHFFFAOYSA-N 279.362 -0.380 50 20 CBGD C=CCNC(=S)NNC(=O)C(C)(C)CNC(C)=O 845077615 ZPNXPZFXEMLEOV-UHFFFAOYSA-N 272.374 -0.170 50 20 CBGD CCn1ncc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)n1 853390596 FANIKZYJQIOXDC-NEPJUHHUSA-N 292.343 -0.389 50 20 CBGD CNC(=S)N(C)NC(=O)CCC(=O)c1cnn(C)c1 854920062 IMUJGWJPSJQKME-UHFFFAOYSA-N 283.357 -0.150 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)c1cc[nH]n1 855355462 YRYAVJLABRGAEF-XLPZGREQSA-N 262.269 -0.214 50 20 CBGD Cc1ncc2n1C[C@H](C(=O)NNC(=O)c1cn[nH]c1)CC2 862469722 AWRSYYONBSMLRC-SECBINFHSA-N 288.311 -0.062 50 20 CBGD COC(=O)[C@H](NNC(=O)[C@@H]1CCC(=O)N1)c1ccsc1 863379279 SNXHLQLOCPTJCS-WCBMZHEXSA-N 297.336 -0.138 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)CCN1C 866097150 IHPFKFMNBQWSRW-SNVBAGLBSA-N 262.118 -0.858 50 20 CBGD O=C(N[C@H](CO)C1CC1)c1cc(B(O)O)ccc1F 867172364 SIYHRMOZATVQFY-LLVKDONJSA-N 267.065 -0.994 50 20 CBGD C#CCCCC(=O)NNC(=O)C[C@H]1CCCC(=O)N1 887149370 UDRWOCJBFCUYOE-SNVBAGLBSA-N 265.313 -0.004 50 20 CBGD CN1CCN(C(=O)NNC(=O)CNc2ccccn2)CC1 908054310 VXLODTXWEORPCN-UHFFFAOYSA-N 292.343 -0.518 50 20 CBGD C[C@H]1CCCCN1NC(=O)c1ccc(B(O)O)cc1 912159672 OUYBHISUEFWACU-JTQLQIEISA-N 262.118 -0.114 50 20 CBGD CC(C)NC(=O)C(=O)NN=Cc1ccc(C(N)=O)cc1 915955303 BAPCAXXKKUGOHG-UHFFFAOYSA-N 276.296 -0.240 50 20 CBGD NC(=O)C(=O)NN=Cc1ccc(OCCC(=O)O)cc1 1317850704 GVAWUWCVYWSCIE-UHFFFAOYSA-N 279.252 -0.525 50 20 CBGD CCCNC(=O)NNC(=O)c1cccc(C(=O)NC)n1 1319690743 MPHFOBJNJIVZAK-UHFFFAOYSA-N 279.300 -0.205 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1cnn(C)c1 1323527545 VETULVMPLWZMOT-VIFPVBQESA-N 299.331 -0.698 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cc(C2CC2)n(C)n1 1324172058 ZDODQMLLCSLMFM-UHFFFAOYSA-N 281.272 -0.377 50 20 CBGD CN(NC(=O)c1c[nH]nc1-c1cnn(C)c1)C(N)=O 1324283128 RRTIRSJTVIPCPC-UHFFFAOYSA-N 263.261 -0.535 50 20 CBGD NC(=O)c1cc(C(=O)NNC(=O)NCC(F)(F)F)co1 1325106946 FJWIYUPVCSHFIQ-UHFFFAOYSA-N 294.189 -0.115 50 20 CBGD C[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)Cc1cc[nH]n1 1329041096 XMWSQTCPDNMIFF-QMMMGPOBSA-N 276.300 -0.299 50 20 CBGD CCCc1cc(NC(=O)C(=O)NNC(=O)COC)n(C)n1 1342600266 HXIQCGUCUVEYGM-UHFFFAOYSA-N 297.315 -0.895 50 20 CBGD O=C1CCC(=NNC(=O)[C@@H]2CCC(=O)N2)CCN1 1348412826 ZCARYMNDXLNHTA-QMMMGPOBSA-N 252.274 -0.963 50 20 CBGD O=C(NNC(=O)[C@]1(F)CCNC1)[C@H]1C[C@H]2CC[C@H]1O2 1574334689 UGFSGCSAFRNXFR-SREGZZRCSA-N 271.292 -0.597 50 20 CBGD Cc1nc(CC(=O)NNC(=O)[C@H]2CCN2)c(C)s1 1579853895 GDHYXMWYUPCWIE-MRVPVSSYSA-N 268.342 -0.188 50 20 CBGD C[C@@](C#N)(CC(=O)O)C(=O)NNC(=O)C1CCOCC1 1588541817 MVCGKIWYCRABQT-LBPRGKRZSA-N 283.284 -0.435 50 20 CBGD CC(C)CC(=O)NNC(=O)Cn1cccc(C(=O)O)c1=O 1591111034 DECJXDULIKQOBH-UHFFFAOYSA-N 295.295 -0.260 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCO[C@H](C(=O)O)C1 1596860294 IMMGWHOJYUVIKF-FLOXNTQESA-N 254.242 -0.258 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)[C@H]1C[C@H]1C(=O)O 1601555622 AQMXRZLJTPYESA-ANZWQOBJSA-N 268.269 -0.578 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCN(C)CC(=O)O 1605618160 HNCCQSUDTYEHQF-CMDGGOBGSA-N 255.274 -0.437 50 20 CBGD O=C(NC[C@H]1CCN1C1CCCCC1)NNC(=O)C(=O)O 1608434443 JNTROQYLZSGARP-SNVBAGLBSA-N 298.343 -0.192 50 20 CBGD O=C(CC1CC1)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1609520388 QFIZXJKIXFKMEC-UHFFFAOYSA-N 275.272 -0.244 50 20 CBGD COCCCNC(=O)NNC(=O)c1cnn(C)c1 49167471 GMQLCVZRANUMLK-UHFFFAOYSA-N 255.278 -0.599 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)c2cn[nH]n2)cc1 61463002 UBWBLTQKQGVVLN-UHFFFAOYSA-N 256.225 -0.249 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)NCc1ccco1 138974739 WNKWBAREPBIUAL-UHFFFAOYSA-N 280.284 -0.268 50 20 CBGD C#CCN1CCC(C(=O)NNC(=O)N2CCOCC2)CC1 299389898 QTDKWFWMTRZFMT-UHFFFAOYSA-N 294.355 -0.595 50 20 CBGD O=S(=O)(CCCCl)NC[C@@H]1CN2CCN1CC2 394678007 AZTBAOJUUHXTSU-SNVBAGLBSA-N 281.809 -0.466 50 20 CBGD C[C@@H]1COCC[C@@H]1C(=O)Nc1cccc(B(O)O)c1 405028744 NHHLLFPFSYGASS-SKDRFNHKSA-N 263.102 -0.023 50 20 CBGD C[C@@H]1CCCN(CCNC(=O)c2ccc(B(O)O)cc2)C1 584928126 ARXKQZHMXWONGW-GFCCVEGCSA-N 290.172 -0.172 50 20 CBGD O=C(NCC1CCOCC1)c1ccc(B(O)O)cc1 584937879 YNWDHKXGGLOYCZ-UHFFFAOYSA-N 263.102 -0.477 50 20 CBGD C/C=C/C[C@@H](CO)NC(=O)c1ccc(B(O)O)cc1 584977184 KOUWWIIWCDLZOX-JDGPPOGSSA-N 263.102 -0.577 50 20 CBGD COCCN(C(=O)c1ccc(B(O)O)cc1)C1CC1 584978955 ZTTYQNDZDGUVKF-UHFFFAOYSA-N 263.102 -0.383 50 20 CBGD Cc1cnc(CCNCc2ccc(B(O)O)o2)cn1 585044426 IGSOYVLICCKLNW-UHFFFAOYSA-N 261.090 -0.610 50 20 CBGD O=C1C[C@@H](c2nc(-c3ccc(B(O)O)cc3)no2)CCN1 585050824 MDGIKFZKDKOQQS-VIFPVBQESA-N 287.084 -0.590 50 20 CBGD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCB(O)O 585055017 WWOFEFOFNPMOCA-UHFFFAOYSA-N 294.481 -0.462 50 20 CBGD COC[C@H](C)CS(=O)(=O)N1CC[C@H](B(O)O)C1 585058557 ISKIUCJPLZKNCI-IUCAKERBSA-N 265.140 -0.853 50 20 CBGD Cc1ccc(N2C[C@@H](C(=O)NCB(O)O)CC2=O)cc1F 585061347 WDBINFYXMZMSLI-VIFPVBQESA-N 294.091 -0.385 50 20 CBGD CCOCC(=O)NNC(=S)NCC(=O)NC(C)C 731161128 LPJGQXCPUKXVRB-UHFFFAOYSA-N 276.362 -0.957 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)CCc2ccccc2O)CC1 732287840 BGXPKAKVOAUHFS-UHFFFAOYSA-N 291.307 -0.262 50 20 CBGD COCCCNC(=O)NNC(=O)CN(C)C(=O)C1CC1 733138891 JJDUQUUHURDTFB-UHFFFAOYSA-N 286.332 -0.778 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCCCN1C 740851644 PDSPTZUEJLGZJG-NSHDSACASA-N 298.387 -0.077 50 20 CBGD CC[C@H](C)C(=O)NNC(=O)Nc1nccn(C)c1=O 757904719 KTIRYXRMZUWELR-ZETCQYMHSA-N 267.289 -0.021 50 20 CBGD CC(C)[C@@](C)(O)C(=O)NNC(=O)C(=O)N1CCCC1 771288920 HSGHUTBUILBHFZ-GFCCVEGCSA-N 271.317 -0.837 50 20 CBGD C#C[C@@H](NCC(=O)NNC(=O)C1CC1)[C@@H]1CCCO1 775799352 KLYNFUBUPPOJBC-MNOVXSKESA-N 265.313 -0.686 50 20 CBGD CC(C)C(=O)NNC(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O 779473668 WTHQGEBDRIVNHF-VXNVDRBHSA-N 271.317 -0.935 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCOCC(F)(F)F 787947480 PVGQLVBGXWNSNL-UHFFFAOYSA-N 272.223 -0.126 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccc(N)c([N+](=O)[O-])c1 799104498 SHOYYTDLYKCMSQ-UHFFFAOYSA-N 265.229 -0.498 50 20 CBGD CN1CCN(C(=O)NNC(=O)CC[C@H]2CCCO2)CC1 807383077 JPSZHNNCYVAZBE-LLVKDONJSA-N 284.360 -0.066 50 20 CBGD CNc1nccc(C(=O)NN(C)C(N)=O)c1[N+](=O)[O-] 816958602 WYDHOQXOYOGGOT-UHFFFAOYSA-N 268.233 -0.313 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccc(-n2ccnc2)nn1 821217625 NFUZJOXCWZZLGC-VIFPVBQESA-N 276.300 -0.380 50 20 CBGD CC(=O)N[C@@](C)(C(=O)NN(C)C[C@@H](C)O)C(C)C 822557449 LSPVYIUFKOQUTD-BXKDBHETSA-N 259.350 -0.119 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccn(CCn2cccn2)n1 823917529 JPSWGLUCZPQDLR-LLVKDONJSA-N 292.343 -0.263 50 20 CBGD CCOC(=O)[C@H](CC(=O)NNC(=O)N(C)C)C(C)=O 824626718 ACSXTRASMIUICF-MRVPVSSYSA-N 273.289 -0.553 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 827269241 WNSCWAYXJASTHW-NNYUYHANSA-N 296.371 -0.212 50 20 CBGD COCCCOCCC(=O)NNC(=O)c1cc(C)[nH]n1 831423156 AHXBPVJCALBBMR-UHFFFAOYSA-N 284.316 -0.078 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H](C)NS(=O)(=O)CC 831854266 UCGYZMKFPFYJTA-SSDOTTSWSA-N 280.350 -0.993 50 20 CBGD COCCS(=O)(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 842591866 GVXRCXQNYFKOPH-HTQZYQBOSA-N 266.319 -0.992 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CN(C)C(=O)C1CC1 843974320 CAOBVACLYCJBGG-SCZZXKLOSA-N 283.328 -0.573 50 20 CBGD O=C(NNC(=O)[C@H]1CCCS(=O)(=O)C1)c1ccncc1 845072700 QRBUMGLMSFQYGB-JTQLQIEISA-N 297.336 -0.333 50 20 CBGD CCNC(=O)CNC(=O)NNC(=O)[C@H]1CCCCO1 852520630 KTXQVPPRZMQBSH-MRVPVSSYSA-N 272.305 -0.978 50 20 CBGD CC[C@@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(F)F 858497919 KFVSVDYIOARWGN-RITPCOANSA-N 278.259 -0.361 50 20 CBGD C[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C[C@@H]1C 858696060 IBKMTFDLZZLVGB-HRDYMLBCSA-N 268.317 -0.406 50 20 CBGD Cn1cc2c(n1)CCCC2=NNC(=O)[C@@H]1CCC(=O)N1 863152955 JPXICPGTFMFJNZ-NSHDSACASA-N 275.312 -0.145 50 20 CBGD C[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)OC(C)(C)C 863874058 MENZHLDSWLPCMN-SECBINFHSA-N 293.128 -0.174 50 20 CBGD CC(=O)[C@@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 863883455 ALIKOPNLCNKGQO-ZDUSSCGKSA-N 275.113 -0.050 50 20 CBGD O=C(N[C@@H]1CCn2cncc2C1)c1ccc(B(O)O)cc1 869103551 ODWMZOXUDAKOGZ-GFCCVEGCSA-N 285.112 -0.692 50 20 CBGD COCC(=O)NNC(=O)Nc1cncc(N(C)C)c1 880362223 PUENKYJQCRYPSS-UHFFFAOYSA-N 267.289 -0.053 50 20 CBGD C#CCN1CCC[C@@H](NC(=O)NNC(=O)COCC)C1 890372937 NUTGSMOKTYYZGM-LLVKDONJSA-N 282.344 -0.549 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cc(OC(F)F)n(C)n1 910159450 HVTQJCQBIYJVKK-ZCFIWIBFSA-N 278.259 -0.021 50 20 CBGD Cc1ccc(S(=O)(=O)NCCC(=O)NN)cc1C 916665581 LTRLZFFXEPAOHJ-UHFFFAOYSA-N 271.342 -0.038 50 20 CBGD CNC(=O)CCCNC(=O)NNC(=O)CC(F)(F)F 918234769 GBLNLWDXJIAKAE-UHFFFAOYSA-N 284.238 -0.205 50 20 CBGD CCC/C=C\C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 920432776 CSTHWGONWUHVGI-WBSSQXGSSA-N 274.342 -0.075 50 20 CBGD O=C1CSC[C@@H](C(=O)NNc2cnccn2)N1 935453040 BVPLGSINLBSZKL-LURJTMIESA-N 253.287 -0.849 50 20 CBGD CO[C@H](C=NNC(=O)[C@@H]1CCC(=O)N1)C1CCOCC1 1261833084 LMURFNRUKBZARU-WDEREUQCSA-N 283.328 -0.191 50 20 CBGD COCCOCCC(=O)NNc1nccn(C)c1=O 1318918252 HDZAMNAXCREMLL-UHFFFAOYSA-N 270.289 -0.724 50 20 CBGD COC(=O)C(=O)NNC(=O)NOCc1ccccc1 1318943391 WCLDFRJJZXZJLX-UHFFFAOYSA-N 267.241 -0.378 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCCS(=O)(=O)CC1 1319940770 ZAWZZITTYIHZBY-VIFPVBQESA-N 291.373 -0.947 50 20 CBGD O=C(NNC(=O)N1CC[C@@H](n2cccn2)C1)c1cn[nH]c1 1328730942 BOIKQPVCGRAIFH-SNVBAGLBSA-N 289.299 -0.092 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCCc1cccc(C)n1 1342540484 XWRWZLBMTFMSDS-UHFFFAOYSA-N 294.311 -0.174 50 20 CBGD Cc1ccnc(NNC(=O)C(=O)NCC(=O)N(C)C)c1 1343305270 IGNQVRUFYKCNQU-UHFFFAOYSA-N 279.300 -0.962 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2cccnc21)C(=O)NC1CC1 1347718025 MIAJRCMKWVZSSW-JTQLQIEISA-N 288.307 -0.463 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](C(=O)O)[C@H](C2CC2)C1 1350911044 UUFYNRAJINBODP-INTQDDNPSA-N 297.355 -0.025 50 20 CBGD O=C(c1cnn(-c2cccnc2)c1)N1CC[C@@H](B(O)O)C1 1351727841 BBJYEHQJELYTAY-LLVKDONJSA-N 286.100 -0.044 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNc1ncccc1C(=O)O 1588499530 PLHPNXGMMZPHQV-LURJTMIESA-N 266.257 -0.253 50 20 CBGD OB(O)[C@H]1CCN(c2cccc(-c3nn[nH]n3)n2)C1 1593498606 QCKWRVWGVKSWFM-ZETCQYMHSA-N 260.066 -0.685 50 20 CBGD C[C@@H](Oc1ccc(NC(=O)C(=O)NN)cc1F)C(=O)O 1593624050 FMDFIQLRAYOPJG-RXMQYKEDSA-N 285.231 -0.394 50 20 CBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)C(=O)O)c2nccn21 1594255900 SJCHJVLFXOXLHA-NTSWFWBYSA-N 267.245 -0.696 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H](N)CCC(=O)O)n1 1599394596 PUPOEDFUWDEMNG-ZETCQYMHSA-N 283.288 -0.571 50 20 CBGD Cc1cc(NC(=O)NNC(=O)CO)cc(C(=O)O)c1 1600271021 YDWWYOVHMFVMOH-UHFFFAOYSA-N 267.241 -0.162 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1)c1cnn[nH]1 1601555736 GVDMZKFOAYUUIE-NTSWFWBYSA-N 267.245 -0.933 50 20 CBGD O=C(O)c1coc(C(=O)NNC(=O)[C@H]2COCCO2)c1 1602550775 PXEAMHTUZFEQRT-MRVPVSSYSA-N 284.224 -0.846 50 20 CBGD COC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)nc1 1604951214 PDCLYHSTUQQYBH-UHFFFAOYSA-N 263.217 -0.738 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@H](C(=O)O)C1CC1 1605511273 FCFAUZRQJKHXBQ-SECBINFHSA-N 265.269 -0.103 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CC[C@H]2C(=O)O)n1 1607629589 DRWWDEOQGKDXLI-VHSXEESVSA-N 294.311 -0.242 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cc(C(=O)O)cn1C 1776052561 WHZHOBRFOKJDEX-UHFFFAOYSA-N 282.256 -0.471 50 20 CBGD N[C@H]1CCN(CC(=O)NNC(=O)c2ccccc2)C1 50243736 AENLVJRQYXQWMM-NSHDSACASA-N 262.313 -0.519 50 20 CBGD CC(=O)c1c[nH]c(C(=O)NNC(=O)CN(C)C)c1 113425723 PEFJYHGRZPTSGS-UHFFFAOYSA-N 252.274 -0.460 50 20 CBGD COC(=O)[C@H]1C[C@H]1C(=O)NNC(=O)c1ccc[nH]1 171354176 JUQMCKYCGVVVAS-RQJHMYQMSA-N 251.242 -0.415 50 20 CBGD CCCn1ncnc1COc1ccc(B(O)O)cc1 203555726 UYLXIONJAYMLBA-UHFFFAOYSA-N 261.090 -0.053 50 20 CBGD COC(=O)NCCCC(=O)NNC(=O)c1cccnc1 264473678 WIJMKLJGHGZEGJ-UHFFFAOYSA-N 280.284 -0.021 50 20 CBGD CN(NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)C(N)=O 271289740 LXDXDOHNDXVUHY-WKEGUHRASA-N 272.330 -0.518 50 20 CBGD COC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1CCCO1 292268789 ZIMVWSMYDWCUFF-PRJMDXOYSA-N 256.258 -0.878 50 20 CBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)[C@H]1CCCCO1 295628701 SGNMHBUVYNTZKK-RKDXNWHRSA-N 272.301 -0.098 50 20 CBGD CCO/C=C(/C#N)C(=O)NCC(=O)N1CCOCC1 490812742 MMPHZZZTNZOTAW-KTKRTIGZSA-N 267.285 -0.595 50 20 CBGD CCCN(CC)CCNC(=O)c1cccc(B(O)O)c1 584956285 ZTMZEOSKCDHFNB-UHFFFAOYSA-N 278.161 -0.172 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N(CC1(O)CCC1)C1CC1 585001589 XVGYAVLUZBXDQS-UHFFFAOYSA-N 289.140 -0.114 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)cc1)c1cnn(C)c1 585025175 NOYBPJUHTUGGCH-SNVBAGLBSA-N 259.118 -0.049 50 20 CBGD OB(O)c1cccc(CNC[C@H](O)C2CCOCC2)c1 585029330 QRMSKRFIMIGLJM-AWEZNQCLSA-N 279.145 -0.757 50 20 CBGD OC[C@@H]1CCCC[C@H]1NCc1ccc(B(O)O)o1 585039276 RLBHWPCMOCKTIQ-GXSJLCMTSA-N 253.107 -0.400 50 20 CBGD Cc1cc(CNCc2ccc(B(O)O)cc2)n(C)n1 585042479 RSLQVFSDRXJIQJ-UHFFFAOYSA-N 259.118 -0.302 50 20 CBGD COc1ccncc1CNCc1ccc(B(O)O)o1 585042523 DKMVOANXZIGSCJ-UHFFFAOYSA-N 262.074 -0.347 50 20 CBGD CC(F)(F)CCS(=O)(=O)N1CC[C@@H](B(O)O)C1 585056999 GPJGCJHCRPYFKV-SSDOTTSWSA-N 271.094 -0.090 50 20 CBGD O=C(NNC(=S)NCC1CCC1)[C@@H]1COCCO1 745173302 MXDCDHMYFWNKKC-VIFPVBQESA-N 273.358 -0.303 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NN=Cc1cnnn1C 751135347 WGKVEMWKXQJMEV-SNVBAGLBSA-N 280.332 -0.767 50 20 CBGD C[C@@H](CNC(=O)NNc1ncccn1)S(C)(=O)=O 754669096 DGMNWGMIQPSOFS-ZETCQYMHSA-N 273.318 -0.464 50 20 CBGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1nccn1C 755665270 UFYYMVOQBPFNOV-SECBINFHSA-N 299.356 -0.370 50 20 CBGD Cc1cc(C(=O)NNC(=O)Nc2ccn(C)n2)n[nH]1 756292467 AQLIYBLARWYOSJ-UHFFFAOYSA-N 263.261 -0.082 50 20 CBGD COc1nccnc1NNC(=O)CNC(=O)C1CC1 764482301 RWVWQFRYMGVPTG-UHFFFAOYSA-N 265.273 -0.546 50 20 CBGD O=C(NC[C@H]1CCC=CO1)NNC(=O)C(=O)N1CCCC1 780743763 MHZPAQNCKBTLSG-SNVBAGLBSA-N 296.327 -0.368 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnn(C)n1 792517575 BKCDRRZINSOWRI-MRVPVSSYSA-N 297.315 -0.446 50 20 CBGD COC[C@@H](CNC(=O)NNC(=O)c1cccc(C)n1)OC 793150232 XXUDNOLOJMHQML-SNVBAGLBSA-N 296.327 -0.005 50 20 CBGD CCNC(=O)NNC(=O)C1=C(C)N(C)c2ncnn2[C@H]1C 798930979 FMRKGWAVDZGKML-QMMMGPOBSA-N 293.331 -0.087 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCCOC(F)F)cn1 801071018 UYPORAWYUHDGFX-UHFFFAOYSA-N 291.258 -0.007 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2)CC1=O 802029076 LPYINWRVMVJSPD-SECBINFHSA-N 291.311 -0.475 50 20 CBGD CC1(C)CN(CC(=O)NNC(=O)C2CC2)C[C@@H](CO)O1 817279426 NUVVMYAHVHAKPM-JTQLQIEISA-N 285.344 -0.985 50 20 CBGD CNC(=O)NNC(=O)C[S@@](=O)c1cccc(OC)c1 819154545 JASZFXFMRUCCRK-LJQANCHMSA-N 285.325 -0.237 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 823976188 AOBZPMXEJKUVRA-VDDIYKPWSA-N 287.385 -0.216 50 20 CBGD O=C(CO)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 826415086 RADBDYRHQJXGCR-UHFFFAOYSA-N 269.652 -0.650 50 20 CBGD CN(NC(=O)c1cccn1CCN1CCOCC1)C(N)=O 826843255 WTNNQUVZLNCBPH-UHFFFAOYSA-N 295.343 -0.524 50 20 CBGD CC(C)C(=O)NNC(=O)CN(C)C[C@@H]1CCC[C@H]1O 828491720 ACPQSCKSXKYRIC-WDEREUQCSA-N 271.361 -0.117 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)NC1CN(C(=O)O)C1 831562227 JXCQJHKNOHZVCR-UHFFFAOYSA-N 293.283 -0.683 50 20 CBGD CCCn1nccc1C(=O)NNC(=O)C(C)(C)O 832753854 ASZQFWXEUAVFSL-UHFFFAOYSA-N 254.290 -0.175 50 20 CBGD CCN1C[C@@H](CNS(=O)(=O)CCl)CC1=O 845994139 JQPCCFICBRUBRL-SSDOTTSWSA-N 254.739 -0.030 50 20 CBGD C[C@@H](Cc1ccc(C#N)cc1)C(=O)NNC(=O)CO 848373552 YUDJCGNOJWJHTL-VIFPVBQESA-N 261.281 -0.123 50 20 CBGD CN(C)S(=O)(=O)NCC(=O)NCCCSC#N 854360288 LEFZNHRFHHZJNA-UHFFFAOYSA-N 280.375 -0.897 50 20 CBGD CNC(=S)N(C)NC(=O)c1cccc(OCC(N)=O)c1 854926546 CAYUGDUECYSWEZ-UHFFFAOYSA-N 296.352 -0.368 50 20 CBGD C=CCCO[C@@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862454237 SIGDRNWXPZWYKI-IUCAKERBSA-N 269.301 -0.606 50 20 CBGD CC[C@@H](C(=O)NNC(=O)c1cn[nH]c1)N1CCCC1=O 862472393 YNRHITQWNIIUAO-VIFPVBQESA-N 279.300 -0.428 50 20 CBGD COCCOCC(=O)NN=Cc1c(C)cnn1C 872400338 JPZQJJSCIZPSLI-UHFFFAOYSA-N 254.290 -0.158 50 20 CBGD O=C(NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)c1cn[nH]c1 880826209 LPWAQNDXLJMFMV-UJNFCWOMSA-N 264.285 -0.014 50 20 CBGD C#CCCCC(=O)NNC(=O)CCOCCOC 887141930 PBZBZCOQNQPYSG-UHFFFAOYSA-N 256.302 -0.010 50 20 CBGD C[C@]1(C(=O)NCc2nn[nH]n2)C[C@H]1Br 906649368 DNHOYKNZDVDJIP-FBCQKBJTSA-N 260.095 -0.011 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 910139288 KFQWYMVNTPPQAB-UWVGGRQHSA-N 295.343 -0.883 50 20 CBGD CC(C)CC(=O)NNC(=O)c1cn(C)c(=O)nc1O 915057915 LNXDSWQSOPFWKE-UHFFFAOYSA-N 268.273 -0.707 50 20 CBGD CC(=O)NNS(=O)(=O)c1cccc(C(=O)O)c1 916108082 IQYIXCWZYKYJHL-UHFFFAOYSA-N 258.255 -0.286 50 20 CBGD CN1C[C@H](C(=O)NNC(=O)CC(F)(F)F)CC1=O 920457385 GYPUTGGZOMRUPB-RXMQYKEDSA-N 267.207 -0.436 50 20 CBGD COCCN(C)NC(=O)Cc1cc(=O)n(CC(C)C)[nH]1 935911720 KDFDEBFUAWMZOQ-UHFFFAOYSA-N 284.360 -0.016 50 20 CBGD C[C@@H](C(=O)NNC(=O)NCC(F)(F)F)S(C)(=O)=O 1116896463 PIUBGNMNZVDXFW-BYPYZUCNSA-N 291.251 -0.688 50 20 CBGD C[C@H](NC(=O)NNc1cccnn1)c1nncn1C 1251973600 YQSFHXXUYKFGAG-ZETCQYMHSA-N 262.277 -0.008 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC1CCN(C2CC2)CC1 1256048762 QMXCBBPDWRWFNC-UHFFFAOYSA-N 298.343 -0.636 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCCn2cccn2)cn1 1318621315 NABDZJBIEMPQKA-UHFFFAOYSA-N 291.315 -0.349 50 20 CBGD Cn1nncc1NNC(=O)COC[C@@H]1CCCO1 1329010034 YRTRWKRJZFSFGB-QMMMGPOBSA-N 255.278 -0.546 50 20 CBGD Cc1nc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C)o1 1330107407 CURQJASXJCQYER-ZETCQYMHSA-N 266.257 -0.669 50 20 CBGD C[C@H](CC(F)(F)F)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 1348111197 SXHVUXNKSPSCPN-PHDIDXHHSA-N 296.249 -0.064 50 20 CBGD CCn1cc(C(=O)C(=O)NN(C)C(=S)NC)cn1 1351032809 JOVLJDXXBARIEZ-UHFFFAOYSA-N 269.330 -0.447 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2occ3c2CCOC3)N1 1351627031 DQPRUMKNAVKKLH-SECBINFHSA-N 293.279 -0.608 50 20 CBGD O=C1NCC[C@H]1C(=O)NNC(=S)Nc1ccccn1 1352272247 NEXBLLHQARQYCP-SSDOTTSWSA-N 279.325 -0.465 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(C(=O)O)s1 1591634963 HZNOAVOQONGJFJ-UHFFFAOYSA-N 299.308 -0.268 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccnc(C(=O)O)c1 1593456311 BUSVYNKXDYAQQQ-ZETCQYMHSA-N 253.258 -0.263 50 20 CBGD CN1C[C@@H](O)C[C@@]1(C)C(=O)NNc1ncccc1C(=O)O 1593773448 FYRPDDUSSHWRIF-SDBXPKJASA-N 294.311 -0.322 50 20 CBGD O=C(O)CCCCNC(=O)NNC(=O)c1cccnn1 1595043177 MHIUDMCESGAUSM-UHFFFAOYSA-N 281.272 -0.325 50 20 CBGD O=C(O)CC1CC(NC(=O)NNC(=O)[C@H]2CCCO2)C1 1601943339 JCPVLXJEYMEVRK-AMDVSUOASA-N 285.300 -0.251 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@H](C)C(=O)O 1603183727 AHCHLTPEKTVMIE-CSMHCCOUSA-N 273.289 -0.538 50 20 CBGD O=C(CCO)NNC(=O)Nc1sccc1-c1nn[nH]n1 1606524268 RIIPNACQEWLXEE-UHFFFAOYSA-N 297.300 -0.537 50 20 CBGD Cc1ccc(O)c(C(=O)NNC(=O)C(=O)NC2CC2)c1 9889351 RPRJOWZIUZJSQF-UHFFFAOYSA-N 277.280 -0.260 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)n[nH]1 293766318 ADUPNKFWTUNWOG-WPRPVWTQSA-N 266.301 -0.024 50 20 CBGD O=S(=O)(CCCCl)NC[C@H]1CN2CCN1CC2 394678006 AZTBAOJUUHXTSU-JTQLQIEISA-N 281.809 -0.466 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)Cn1cccn1 494742711 QJVLTVLSHQZHFY-UHFFFAOYSA-N 297.315 -0.445 50 20 CBGD CC(=O)NCCN(C(=O)c1ccc(B(O)O)cc1)C(C)C 584974734 JKUHNXNQYHZKKB-UHFFFAOYSA-N 292.144 -0.647 50 20 CBGD CO[C@H]1CC[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 584980425 ZLZGWIATURTHHI-ZJUUUORDSA-N 281.092 -0.197 50 20 CBGD C[C@H]1COCC[C@@H]1CNC(=O)c1cccc(B(O)O)c1 584989552 QIEWGOTVHHEYII-CMPLNLGQSA-N 277.129 -0.231 50 20 CBGD OB(O)c1cccc(CNCC2(N3CCOCC3)CC2)c1 585039583 XIVKATLTOLXGPL-UHFFFAOYSA-N 290.172 -0.679 50 20 CBGD NC(=O)[C@@H]1CC[C@H](NCc2ccccc2B(O)O)C1 585044839 VWRSQDIZZMPGAO-KOLCDFICSA-N 262.118 -0.890 50 20 CBGD C[C@@H]1NC(=O)CC[C@H]1CNCc1ccc(B(O)O)cc1F 585046789 WEDUTBPKUXKOGR-UWVGGRQHSA-N 294.135 -0.490 50 20 CBGD O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCB(O)O 585060791 KBLWSVHTLBVYRF-UHFFFAOYSA-N 285.492 -0.218 50 20 CBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H](B(O)O)C1 585074244 LASDXRNQLKOGTG-JQWIXIFHSA-N 290.128 -0.120 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNC(=O)c1c[nH]c2ccccc12 725905628 MNQCMODOKVDPDN-ZETCQYMHSA-N 289.295 -0.014 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(C(=O)C2CC2)CC1 732196562 AWGAHRYDJVJDAL-SNVBAGLBSA-N 296.371 -0.514 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H](C)COC 748454903 SNPNPFPUPUEQIE-IUCAKERBSA-N 277.321 -0.597 50 20 CBGD Cc1nnc2n1C[C@@H](C(=O)NNC(=O)c1ccc[nH]1)CC2 750722176 GTYJWDFYPPXOSC-VIFPVBQESA-N 288.311 -0.062 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CCOC1 752707141 VJZJJSFDFPEFJD-RKDXNWHRSA-N 275.305 -0.843 50 20 CBGD N#CCn1c(C(=O)NNC(=O)CO)cc2ccccc21 753442462 GXJUDDKDRSYZSD-UHFFFAOYSA-N 272.264 -0.082 50 20 CBGD CCc1cccc(OCC(=O)NNC(=O)CO)c1 753442848 PVNBNPDDFGSJBF-UHFFFAOYSA-N 252.270 -0.233 50 20 CBGD Cc1nc2c(cc1C(=O)NNC(=O)CO)c(C)nn2C 753445650 RTYFDBPGOAWTFG-UHFFFAOYSA-N 277.284 -0.662 50 20 CBGD Cn1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)c1 763321673 NDYDJZBWBKMBAG-UHFFFAOYSA-N 290.279 -0.191 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)Cc1ncc[nH]1 767118980 FDHDIMGYSBIWIF-UHFFFAOYSA-N 251.290 -0.601 50 20 CBGD CN(NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(N)=O 770534851 PHXNKHYKXKNUSK-UHFFFAOYSA-N 295.255 -0.634 50 20 CBGD CC(=O)c1cccc(O[C@H](C)C(=O)NNC(=O)CO)c1 777782656 IZUKJPBGSSHWAB-SECBINFHSA-N 280.280 -0.204 50 20 CBGD COCCCNC(=O)NNC(=O)c1ncccc1O 778587746 DXHZAFPIMQEAJS-UHFFFAOYSA-N 268.273 -0.232 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CC(C)(C)C#N 784832448 QWUXVFFPRTTWKK-UHFFFAOYSA-N 254.290 -0.402 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)CNC(C)=O 790063214 FTMGYQPDNIOZAW-UHFFFAOYSA-N 275.305 -0.941 50 20 CBGD C=CCNC(=S)NNC(=O)c1c([N+](=O)[O-])c(C)nn1C 798306734 TZCIDLSGJJGGME-UHFFFAOYSA-N 298.328 -0.068 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@@](F)(CO)C1 802013498 DIYPKTGUUNPJDG-GWCFXTLKSA-N 289.351 -0.025 50 20 CBGD O=C(COC[C@@H]1CCCO1)NNC(=O)N=c1cc[nH]cc1 802033775 NVITUEFKMGMYPN-NSHDSACASA-N 294.311 -0.148 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cncc(-n2ccnn2)c1 823922132 HTRPIMXCBZDKEO-SECBINFHSA-N 276.300 -0.380 50 20 CBGD C[C@@H](CO)N(C)NC(=O)Cn1cnc2sccc2c1=O 823983069 KDTCIBDNSNFDPL-QMMMGPOBSA-N 296.352 -0.198 50 20 CBGD CN(NC(=O)c1ncc(-c2nn[nH]n2)cc1Cl)C(N)=O 826004165 LLDRBXBVQQYORT-UHFFFAOYSA-N 296.678 -0.430 50 20 CBGD O=C(NNC(=O)c1ccccn1)c1c[nH]c(-c2nn[nH]n2)c1 826445230 LLAWFCMTAMBMEK-UHFFFAOYSA-N 298.266 -0.335 50 20 CBGD CN(C)C1(C(=O)NNC(=O)Cc2cc[nH]n2)CC1 826668167 WSVPKVHYXRPYMF-UHFFFAOYSA-N 251.290 -0.806 50 20 CBGD CCC[C@@H](C(=O)NNc1ncc(F)cn1)S(N)(=O)=O 831349447 CGHDVDDGAXPLJL-ZETCQYMHSA-N 291.308 -0.484 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCC[C@H]1OC 838672512 NTCLIEFEGFIXFF-RKDXNWHRSA-N 259.306 -0.079 50 20 CBGD CC(C)[C@@H](N)CNC(=O)NNC(=O)[C@@H]1CCCCO1 841945153 YKCYSVWETNNGAH-UWVGGRQHSA-N 272.349 -0.131 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](CN)C1 843348139 YKUQDNMQGUTIFT-UWVGGRQHSA-N 256.350 -0.397 50 20 CBGD CC1CCN(C(=O)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1 843970743 KNMDJABFAYRSCM-WDEREUQCSA-N 297.355 -0.183 50 20 CBGD CN1CC[C@]2(CCCN(CC(=O)NNC(=O)C3CC3)C2)C1 852106041 SRJMFVKBCWGFPM-OAHLLOKOSA-N 294.399 -0.039 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2c[nH]nc2C1)c1cc[nH]n1 855358055 ZPKVQWFWYROLHF-ZETCQYMHSA-N 274.284 -0.301 50 20 CBGD CCSCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858424924 AGBUIODNHRMPFG-QMMMGPOBSA-N 288.373 -0.261 50 20 CBGD Cc1ccc(NNC(=O)NC[C@H]2COCCN2)nn1 861682887 XOADTIOIXLVAOU-VIFPVBQESA-N 266.305 -0.600 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)NCCN2CC[C@H](O)C2)cn1 863833642 SMCXKWSWHXDMCK-TZQNSNDFSA-N 289.339 -0.490 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC(OCC(F)F)C1 863877495 YWBOUUNWNGRVLS-UHFFFAOYSA-N 285.055 -0.528 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CCN(C)[C@@H]1C 869903129 KGTULOZTPKJAHO-NXEZZACHSA-N 273.333 -0.863 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnc2nccn2c1 878681511 UEJASYXLORTWTN-UHFFFAOYSA-N 262.273 -0.948 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCN1C(C)(C)C 900007514 MZVUMTMTOFEIKX-SECBINFHSA-N 284.360 -0.469 50 20 CBGD C[C@@H](O)CN(C)NC(=O)C1(C(=O)NC2CC2)CCC1 910165862 PEOMVPYPLVQJHN-SECBINFHSA-N 269.345 -0.221 50 20 CBGD CCCNC(=O)NNC(=O)c1c([N+](=O)[O-])c(C)nn1C 921038629 XOQKCUDLTIKULT-UHFFFAOYSA-N 284.276 -0.009 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@](C)(OC)C1CC1 1117663475 LSHNWDBJHIXULA-NSHDSACASA-N 273.289 -0.695 50 20 CBGD C[C@]1(CNC(=O)Cn2ncnn2)C[C@@H]1Br 1121227388 TYOCRBSUAIVJST-POYBYMJQSA-N 274.122 -0.037 50 20 CBGD COc1cc(C(=O)NN)cc(NS(C)(=O)=O)c1OC 1261451967 OPDQXKPXDSNHGT-UHFFFAOYSA-N 289.313 -0.321 50 20 CBGD Cn1ccnc1CNC(=O)NNC(=O)Cc1cccnc1 1318271868 KKCJWBRZRRNBEL-UHFFFAOYSA-N 288.311 -0.112 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(S(N)(=O)=O)s1 1318285889 UWKMLAZLAACTFE-UHFFFAOYSA-N 292.342 -0.641 50 20 CBGD Cc1cc(C)n2nc(C(=O)NN(C)C(N)=O)nc2n1 1323345662 KVTAIBRLHCWDRD-UHFFFAOYSA-N 263.261 -0.604 50 20 CBGD CC(=O)NNC(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2 1327930783 JQSSFWPSUCELCX-UHFFFAOYSA-N 297.336 -0.396 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ncccn1 1333613638 GRBWGMCPIRDURG-SSDOTTSWSA-N 266.257 -0.421 50 20 CBGD CC(C)n1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)nn1 1335346968 HVWVKEGMRORVNC-VIFPVBQESA-N 264.289 -0.412 50 20 CBGD COCCN(C)NC(=O)[C@@H]1CCc2nnc(O)n2C1 1347067651 CXMBWGBEWOMCDK-MRVPVSSYSA-N 269.305 -0.845 50 20 CBGD COC[C@H](C)NC(=O)NNC(=O)C1CCOCC1 1353045120 XFCVNAVVCPMMNW-QMMMGPOBSA-N 259.306 -0.222 50 20 CBGD O=C(NN=C1CCn2ccnc21)[C@H]1CN2CCC[C@H]2CO1 1549314213 JXHZTUMXIHEMPW-CMPLNLGQSA-N 289.339 -0.030 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@@H](N)CO)c(F)c1 1573940903 VJXZLQJWUPRQJS-QMMMGPOBSA-N 271.248 -0.625 50 20 CBGD C[C@H](N)CNC(=O)NNC(=O)N=c1cc[nH]cc1 1576159760 VVSJEHHOIJPRAU-ZETCQYMHSA-N 252.278 -0.814 50 20 CBGD CN1CCCC[C@@H](C(=O)NNC(=O)[C@H]2CCCNC2)C1=O 1578528041 BMTTZEOHUNJHBR-QWRGUYRKSA-N 296.371 -0.608 50 20 CBGD Cc1ncsc1CCC(=O)NNC(=O)[C@@H]1CCN1 1579888556 YEZLUBODRQADRM-QMMMGPOBSA-N 268.342 -0.107 50 20 CBGD O=C(O)[C@@H]1CC[C@H](C(=O)NNC(=O)[C@@H]2CCCCO2)O1 1601555625 AVSSUHRIHNYRKR-YIZRAAEISA-N 286.284 -0.665 50 20 CBGD CCO/C=C(/C#N)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1604413168 BJFMSODYKKJPAD-WAYWQWQTSA-N 299.254 -0.156 50 20 CBGD O=C(c1ccc(-c2nn[nH]n2)cc1)N1CC[C@H](B(O)O)C1 1607014651 UJAAHBKORPCGMP-JTQLQIEISA-N 287.088 -0.444 50 20 CBGD Cc1cncc(CNC(=O)NNC(=O)C(=O)O)c1 1607910438 WSZMEHIAVBCTHB-UHFFFAOYSA-N 252.230 -0.695 50 20 CBGD O=C(O)Cc1ccc(NNC(=O)[C@@H]2COC(=O)N2)cc1 1608780664 CLKSRRJLXLISHW-VIFPVBQESA-N 279.252 -0.135 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@](F)(C(=O)O)C1 1609028031 IHGRMEPMZQUNCD-LBPRGKRZSA-N 281.048 -0.995 50 20 CBGD COc1ccnc(NNC(=O)c2ccc[n+]([O-])c2)n1 46363300 MWJUHHGKRBDAKV-UHFFFAOYSA-N 261.241 -0.125 50 20 CBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1O 48413013 QLNDPIPXDXVQQU-QMMMGPOBSA-N 298.320 -0.412 50 20 CBGD CS(=O)(=O)CCNC(=O)NNC(=O)c1ccccc1 49518098 AFDVIOSVUUBZRT-UHFFFAOYSA-N 285.325 -0.325 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)N1CCCCCC1 72817956 BLUWEHDTYWLJAG-NSHDSACASA-N 298.387 -0.077 50 20 CBGD O=C(Cn1cnnn1)NNc1nc(-c2ccccc2)no1 110853612 WRIZYEBMULINLN-UHFFFAOYSA-N 286.255 -0.134 50 20 CBGD CN(CCCN)CC(=O)NNC(=O)c1cccs1 133801989 NTLSDWHPNTZKNT-UHFFFAOYSA-N 270.358 -0.210 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2c[nH]c(C)n2)n1 264707331 CXRIAGUNOXVMKB-UHFFFAOYSA-N 276.300 -0.007 50 20 CBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@@H](C)O 274374787 LFPXRJWPUXYJTL-SSDOTTSWSA-N 288.325 -0.077 50 20 CBGD O=C1N[C@@H](C(=O)NNC(=O)[C@@H]2CCCO2)CS1 294021537 NIAFFXLFPRYUHW-RITPCOANSA-N 259.287 -0.862 50 20 CBGD CCOCCCC(=O)NNC(=O)C(=O)NC(C)C 298809042 NXDILHXCRLBTHL-UHFFFAOYSA-N 259.306 -0.525 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1OC[C@@H]2COCC[C@@H]21 377938982 AFFRXSUDZIPLOT-GARJFASQSA-N 299.327 -0.889 50 20 CBGD CC(C)[C@@H](C)NC(=O)COc1ccc(B(O)O)cc1 584910147 XBTLGEPIHHNYTJ-SNVBAGLBSA-N 265.118 -0.094 50 20 CBGD CC(C)(CS(C)(=O)=O)C(=O)Nc1cccc(B(O)O)c1 584913683 IEGHGBMGLHIICQ-UHFFFAOYSA-N 299.157 -0.624 50 20 CBGD CN1CCC[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 584941079 DDUWLWGMBLFHOT-SNVBAGLBSA-N 280.108 -0.671 50 20 CBGD C[C@H]1C[C@H](NC(=O)c2cc(B(O)O)ccc2F)CCN1C 584950432 KQJPESBKKLPKOX-GXSJLCMTSA-N 294.135 -0.282 50 20 CBGD C[C@H]1CC[C@H](O)CN1C(=O)c1ccc(B(O)O)cc1 584984821 CMQIBAZDUJFEFI-CABZTGNLSA-N 263.102 -0.648 50 20 CBGD CN(CC(C)(C)CO)C(=O)c1ccc(B(O)O)cc1 584995141 JGJVCCIIYJBERZ-UHFFFAOYSA-N 265.118 -0.543 50 20 CBGD CCN(CC)C(=O)CCNCc1ccc(B(O)O)o1 585016990 GYTTXRPMYBCGBZ-UHFFFAOYSA-N 268.122 -0.693 50 20 CBGD CC(=O)N1CCC[C@@H](CNCc2ccccc2B(O)O)C1 585038583 CGHGLCKGLZZPNU-ZDUSSCGKSA-N 290.172 -0.286 50 20 CBGD CCN1C[C@@H](CNCc2ccc(B(O)O)cc2F)CC1=O 585045984 OUECYPIBXQZWBZ-SNVBAGLBSA-N 294.135 -0.537 50 20 CBGD O=C(NCB(O)O)[C@H]1CCCN(C(=O)N2CCCC2)C1 585062471 SYGIFJSCCXFFLT-JTQLQIEISA-N 283.137 -0.958 50 20 CBGD O=C(CN1CCC[C@H](CCO)C1)NNC(=O)C1CC1 741788620 WYMRGKLIWWQYKE-SNVBAGLBSA-N 269.345 -0.362 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](CC(N)=O)C1 746675926 REYRZIFQFZXVJM-UWVGGRQHSA-N 284.360 -0.480 50 20 CBGD CC(=NNC(=O)C(N)=O)c1nnn(-c2ccccc2)c1C 747603161 WSIIDYQHBFWIMD-UHFFFAOYSA-N 286.295 -0.099 50 20 CBGD CN1CCC[C@H](NC(=O)NNC(=O)CC(F)(F)F)C1=O 748665180 RLKHPUKEBSUJKE-LURJTMIESA-N 296.249 -0.110 50 20 CBGD CC(=O)Nc1ccc(CC(=O)NNC(=O)CO)cc1 753442861 QBTGUOZJAGLOKE-UHFFFAOYSA-N 265.269 -0.673 50 20 CBGD Cc1cc(C)n(CCC(=O)NNC(=O)C(C)(C)O)n1 768261886 QBDWSFWBEXVYMJ-UHFFFAOYSA-N 268.317 -0.192 50 20 CBGD CC(C)(C(N)=O)C(=O)NNC(=O)c1ccccc1O 769845203 FGTUOQFUVVWIKA-UHFFFAOYSA-N 265.269 -0.335 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1cnc2[nH]nnc2c1 777795704 FYHWWFCSWKKWQE-UHFFFAOYSA-N 285.267 -0.234 50 20 CBGD O=C(Cn1ccc([N+](=O)[O-])n1)NN=c1cc[nH]cc1 780757366 PZVMOEASBRAOCU-UHFFFAOYSA-N 262.229 -0.249 50 20 CBGD CC(=NNC(=O)C(=O)NC1CC1)C(C)(C)n1cncn1 794484639 VRSJBVWOMIMXDF-UHFFFAOYSA-N 278.316 -0.216 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCCC12OCCO2 806808563 ICWOUMKBUJTIAM-JTQLQIEISA-N 294.311 -0.357 50 20 CBGD O=C(O)C1CC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)C1 814781199 BAHUDTIZIDRWMQ-PKPIPKONSA-N 274.298 -0.612 50 20 CBGD O=C(CC1CC1)NNC(=O)c1n[nH]cc1[N+](=O)[O-] 819104726 QZJNBCJNUCYNPR-UHFFFAOYSA-N 253.218 -0.121 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CCc2cncn2C1 821218289 XHXPUSZJIKBGRN-VHSXEESVSA-N 252.318 -0.211 50 20 CBGD Cc1ccc2ncc(C(=O)NN(C)[C@@H](C)CO)c(=O)n2c1 823977261 SCXRVTIAHCDBDB-JTQLQIEISA-N 290.323 -0.040 50 20 CBGD COCCn1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1 843658348 QYLNJZYQLDEBGV-UWVGGRQHSA-N 296.327 -0.285 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(C)(C)C(N)=O 843970683 JLRPEHNDAJPUTC-RQJHMYQMSA-N 257.290 -0.930 50 20 CBGD CN(C)c1nc(N)nc(C(=O)NCCCSC#N)n1 854360068 GSNZEKIGHKLYCV-UHFFFAOYSA-N 281.345 -0.146 50 20 CBGD CNC(=S)N(C)NC(=O)CN1CCCCCC1=O 854928302 RZKWEIIZFPKQAK-UHFFFAOYSA-N 272.374 -0.144 50 20 CBGD C[C@H](NC(=S)NNC(=O)CCn1ccnn1)C1CC1 855098623 GFWNAQLQOVHCPJ-QMMMGPOBSA-N 282.373 -0.038 50 20 CBGD COC(=O)N1CCC(C(=O)NNC(=O)c2cc[nH]n2)CC1 855356694 VZOAFBIOXGRAKH-UHFFFAOYSA-N 295.299 -0.351 50 20 CBGD C=CCCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858408685 YVSCWEGINDTJQU-MRVPVSSYSA-N 254.290 -0.438 50 20 CBGD CC1(C)C[C@@H]1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858538169 JUUZUESZOLCUDG-RQJHMYQMSA-N 254.290 -0.606 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc2c(c1)N(C)C(=O)CO2 858907945 TUGPBVVSOZNWRA-UHFFFAOYSA-N 292.295 -0.042 50 20 CBGD Cc1cc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n(C)n1 860288588 REFJFQSSAPGZHR-ZETCQYMHSA-N 280.288 -0.840 50 20 CBGD O=C(C[C@H]1C=CCC1)NNC(=O)[C@@H]1CCC(=O)N1 862448314 CJJKGIJXIJEOKB-IUCAKERBSA-N 251.286 -0.231 50 20 CBGD CCO[C@@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 862463326 AQAKTKMMAKSQSL-WCBMZHEXSA-N 269.301 -0.773 50 20 CBGD COCCOCC(=O)NNC(=O)CN1[C@H](C)CC[C@H]1C 869909783 JEZRLLFUMYZRRA-GHMZBOCLSA-N 287.360 -0.330 50 20 CBGD NNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 916665683 YWQNYPRPJABVOW-UHFFFAOYSA-N 270.270 -0.224 50 20 CBGD Cn1cnc(/C=C/C(=O)NNC(=O)C(=O)N2CCCC2)c1 931246960 FWTUSNGWCHXIRL-SNAWJCMRSA-N 291.311 -0.797 50 20 CBGD Cn1ccnc(NNC(=O)c2c[nH]cc(Cl)c2=O)c1=O 1116945574 SUPICEXGJGFKOT-UHFFFAOYSA-N 295.686 -0.121 50 20 CBGD COC(=O)C(=O)NN=Cc1cnc2c(c1)c(C)nn2C 1252511605 SPKVRJCROMIVHZ-UHFFFAOYSA-N 275.268 -0.100 50 20 CBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNc1ccccn1 1263774216 RHAHEJLLOGVSKG-WDEREUQCSA-N 261.329 -0.087 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCc1nccs1 1318940865 CRXBCLZXRFWFKE-UHFFFAOYSA-N 272.286 -0.811 50 20 CBGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)c2cnn(C)c2)C1 1319427631 RCIPJTLGTDUHHY-VIFPVBQESA-N 293.327 -0.560 50 20 CBGD C#CCOCCN(C)[C@H](C)C(=O)NNC(=O)CC 1319655408 GYKCTHCYXRSYPM-SNVBAGLBSA-N 255.318 -0.486 50 20 CBGD CC[C@@H](C#N)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1329615732 LMEFAYJGOQLVIQ-YUMQZZPRSA-N 273.314 -0.882 50 20 CBGD CC(C)CC(=O)NNC(=O)COCc1nncn1C 1330516440 CYFQCSMBQBBIGA-UHFFFAOYSA-N 269.305 -0.475 50 20 CBGD C=CCC[C@@H](NCc1ccccc1B(O)O)C(=O)O 1331952087 WQVGVACEPJYSPM-GFCCVEGCSA-N 263.102 -0.125 50 20 CBGD CC[C@H](O)[C@H](C)C(=O)NNC(=O)C1CCOCC1 1332330889 UEHPMGYSHUFHRD-WPRPVWTQSA-N 258.318 -0.033 50 20 CBGD CO[C@@]1(C(=O)NNc2cnnn2C)CCSC1 1333798045 LIFHIRUREZKBKZ-VIFPVBQESA-N 257.319 -0.220 50 20 CBGD CN1CCCC[C@@H]1CNC(=O)NNC(=O)c1cccnn1 1342100127 VQZUDLBTGPGNET-SNVBAGLBSA-N 292.343 -0.095 50 20 CBGD CC(C)c1nnsc1C(=O)NNC(=O)NCCN 1575893208 AAFIDCKMOGZBTO-UHFFFAOYSA-N 272.334 -0.436 50 20 CBGD NC(=O)c1ccc(C(=O)NNc2ncccc2C(=O)O)[nH]1 1594649823 QEFQWPZPWWTCIE-UHFFFAOYSA-N 289.251 -0.036 50 20 CBGD Cc1nc(C(=O)NNC(=O)C2CC2)ccc1-c1nn[nH]n1 1606029641 OZGCDNHAHCWGKJ-UHFFFAOYSA-N 287.283 -0.259 50 20 CBGD Cn1cc(C(=O)NN=Cc2c[nH]c(C(=O)O)c2)nn1 1776092576 SLUCQPBNACFYOV-UHFFFAOYSA-N 262.229 -0.395 50 20 CBGD CN(CC(=O)NNC(=O)c1ccccc1)[C@@H]1CCNC1 71310621 CMRZWCZIOBIIDD-GFCCVEGCSA-N 276.340 -0.259 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1cnns1 80005316 QHCGZIKKDRXZOC-UHFFFAOYSA-N 251.271 -0.049 50 20 CBGD O=S(=O)(CBr)NC[C@H]1COCCO1 127342429 ZZHJQKUTIQZDKD-LURJTMIESA-N 274.136 -0.326 50 20 CBGD CCCn1cc(C(=O)NNC(=O)N2CCN(C)CC2)cn1 282983374 UBYPYIPHQMLVPD-UHFFFAOYSA-N 294.359 -0.105 50 20 CBGD O=C(NC[C@@H]1CCCO1)NNC(=O)C(=O)N1CCCC1 299463598 AOIWUTXNJMMBDV-VIFPVBQESA-N 284.316 -0.882 50 20 CBGD COC(=O)NNC(=O)C1(C(=O)NC2CC2)CCC1 495366801 INZZZQZCRHPAFL-UHFFFAOYSA-N 255.274 -0.178 50 20 CBGD CCOC(=O)NNC(=O)C1(S(C)(=O)=O)CC1 496928423 PWHPTCMDOCNGLR-UHFFFAOYSA-N 250.276 -0.659 50 20 CBGD CC[C@H](C[C@@H](C)CO)NC(=O)c1ccc(B(O)O)cc1 584962490 HHSLYGOZEADKKY-ZWNOBZJWSA-N 279.145 -0.107 50 20 CBGD C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C[C@H]1O 584970541 PTZOZGBYOCCSOV-BXKDBHETSA-N 263.102 -0.791 50 20 CBGD C[C@@H](NC(=O)c1cccc(B(O)O)c1)[C@@H]1CCCOC1 584972104 NCGDMDSDPXALEK-ZYHUDNBSSA-N 277.129 -0.089 50 20 CBGD CC[C@@]1(CO)CCCN1C(=O)c1cccc(B(O)O)c1 584979497 VSVNXSNLJDLWET-AWEZNQCLSA-N 277.129 -0.257 50 20 CBGD CN1CC[C@H](N(C)C(=O)c2ccc(B(O)O)cc2)C1 585009119 PNPZJGNDOSFSHZ-LBPRGKRZSA-N 262.118 -0.858 50 20 CBGD CC[C@H](C)[C@H](O)CNCc1ccccc1B(O)O 585023292 FYFDKTCLZFPRMW-GXFFZTMASA-N 251.135 -0.137 50 20 CBGD COCCOC[C@@H](C)NCc1ccc(B(O)O)cc1F 585027170 ONZURZIPKVLOCV-SNVBAGLBSA-N 285.124 -0.353 50 20 CBGD C[C@H]1CN(C)C[C@H]1NCc1ccc(B(O)O)cc1F 585031426 UQRQGDSRLWZLPD-TVQRCGJNSA-N 266.125 -0.455 50 20 CBGD OC[C@H](NCc1ccc(B(O)O)o1)c1ccsc1 585036083 DJJINIBVFINFPK-JTQLQIEISA-N 267.115 -0.156 50 20 CBGD CCNC(=O)CCc1nc(-c2cccc(B(O)O)c2)no1 585054577 XZVFIMJNLSDFBF-UHFFFAOYSA-N 289.100 -0.515 50 20 CBGD COc1ncnc(OC)c1C(=O)NNC(=O)N(C)C 732064148 YVKGVCGOEHUQNO-UHFFFAOYSA-N 269.261 -0.590 50 20 CBGD CCCNC(=O)NNC(=O)COC1CCOCC1 735271495 IUIMXKFJHHBOKU-UHFFFAOYSA-N 259.306 -0.078 50 20 CBGD CN(C)CC(=O)NN=C1CCN(CCCC(=O)O)CC1 737359823 HTOUBOSMDZFVMO-UHFFFAOYSA-N 284.360 -0.019 50 20 CBGD CC(C)CC(=O)NNC(=O)C(C)(C)NS(C)(=O)=O 742042375 IZRHJJFJJXHLLC-UHFFFAOYSA-N 279.362 -0.492 50 20 CBGD COc1cccc(F)c1C(=O)NNC(=O)C(=O)NC1CC1 746103638 QQMVKHGVEPIYIJ-UHFFFAOYSA-N 295.270 -0.126 50 20 CBGD COc1ccnc(NNC(=O)C2(C(=O)NC3CC3)CC2)n1 749724036 DMGGMRBYGDYTAU-UHFFFAOYSA-N 291.311 -0.013 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccn(C)n1 756293834 JYIWGMUJFMOPMD-UHFFFAOYSA-N 263.261 -0.082 50 20 CBGD C[C@H]1CC(=NNC(=O)C(=O)N2CCCC2)CN1C 761812446 QTONUBMABYUJEV-VIFPVBQESA-N 252.318 -0.195 50 20 CBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CO 768636970 AKXMWYLVSWSSFN-UHFFFAOYSA-N 274.298 -0.466 50 20 CBGD CSCCNC(=S)NNC(=O)[C@H]1CCOC1 769766695 ZVUOHIJLOUYGJL-ZETCQYMHSA-N 263.388 -0.119 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)C(=O)NC2CC2)C1 776339843 XEVSVMLDGFBNDK-JGVFFNPUSA-N 253.302 -0.151 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)cn1 787003363 IKPDXNWMGVYYEX-RKDXNWHRSA-N 293.327 -0.527 50 20 CBGD C[C@@H]1COCCC1=NNC(=O)[C@@H](C)NS(C)(=O)=O 794507440 CPVJTAGOXBVHQV-HTQZYQBOSA-N 277.346 -0.547 50 20 CBGD O=C(CCN1CCOCC1)NNC(=O)NCC(F)(F)F 798316387 XGQMIVFILVQYJS-UHFFFAOYSA-N 298.265 -0.399 50 20 CBGD CO[C@H](C(=O)NNC(=O)c1cccn1C)c1cnn(C)c1 798361887 PNZINQOGKGRWCO-NSHDSACASA-N 291.311 -0.093 50 20 CBGD C[C@H](C(=O)NNC(=O)N1CCN(C)CC1)n1cccn1 807380289 FOPVEBSWFCVKOV-SNVBAGLBSA-N 280.332 -0.568 50 20 CBGD COc1cnc(C(=O)NNC(=O)c2cnn(C)c2)nc1 815646123 AWHCKWNKKDWEHY-UHFFFAOYSA-N 276.256 -0.707 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@@H](CC(N)=O)C1 827268001 LFMHATYNSRBOIV-LPEHRKFASA-N 298.343 -0.651 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NN=Cc1ncnn1C 842522283 WRDNALBAQMSCGY-SNVBAGLBSA-N 280.332 -0.767 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)nn1C 843645352 MSYNURMTRNJMRZ-DTWKUNHWSA-N 266.301 -0.085 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2nncn2c1 843649578 VRWOHUXLKOVAJD-SCZZXKLOSA-N 289.295 -0.085 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2nnnn2CC1)C1CCC1 845482939 KXJAOVDIDMJORT-VIFPVBQESA-N 278.316 -0.427 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1C[C@H]1OC(C)(C)C 854291186 RIRFFPUQNNFXQY-RKDXNWHRSA-N 285.344 -0.138 50 20 CBGD CO[C@@H]1C[C@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1(C)C 858273798 HKABYMJJPRZCNE-HRDYMLBCSA-N 298.343 -0.591 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cccnc2C2CC2)N1 862459975 CLLFVIRSRHMHPG-JTQLQIEISA-N 288.307 -0.001 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)c1cn[nH]c1 862469329 HBVAKDKIICGSCB-UHFFFAOYSA-N 267.289 -0.667 50 20 CBGD COC(=O)[C@@H](NNC(=O)[C@@H]1CCC(=O)N1)c1ccsc1 863379280 SNXHLQLOCPTJCS-WPRPVWTQSA-N 297.336 -0.138 50 20 CBGD CSC[C@@H](C)C(=O)NNC(=O)CS(C)(=O)=O 863461868 XCFZNBIAVJIZGI-ZCFIWIBFSA-N 268.360 -0.823 50 20 CBGD CCC[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)OC 863878114 LFEMPLHQQZBGHD-NSHDSACASA-N 279.101 -0.562 50 20 CBGD CN(CC(=O)NNC(=O)c1cnn(C)c1)C1CCC1 863878530 HGKAANRKHZRDCY-UHFFFAOYSA-N 265.317 -0.335 50 20 CBGD CCN1CCC[C@H](NCc2ccc(B(O)O)cc2)C1=O 896728986 KFFZUZONZAKOKM-ZDUSSCGKSA-N 276.145 -0.533 50 20 CBGD O=Cc1cc(C(=O)NNC(=O)CN2CCCC2=O)cs1 913731493 KROSLISEEWVADP-UHFFFAOYSA-N 295.320 -0.056 50 20 CBGD CC(C)[C@H](F)C(=O)NNC(=O)CN1CCCC1=O 913732506 ZAUKUEOAZBLHKS-JTQLQIEISA-N 259.281 -0.250 50 20 CBGD COCCOC(=O)/C(C#N)=C\c1cn(CC(=O)O)nn1 1116388781 AKVATIGRBMBOAF-YWEYNIOJSA-N 280.240 -0.541 50 20 CBGD COCC(C)(C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1253641199 MAMYRBVECNOXSJ-QMMMGPOBSA-N 292.357 -0.759 50 20 CBGD CCc1nocc1C=NNC(=O)[C@H](C)NS(C)(=O)=O 1261235631 BQDMHQXCNZHVNZ-ZETCQYMHSA-N 288.329 -0.375 50 20 CBGD NC(=O)C(=O)NNC(=O)c1ccc(Br)s1 1261906332 UFCOFRZUCSVAKU-UHFFFAOYSA-N 292.114 -0.243 50 20 CBGD COc1ccc(C(=O)NNC(=O)NCCNC(C)=O)cc1 1318948785 FNQYXCGEYSYOMQ-UHFFFAOYSA-N 294.311 -0.225 50 20 CBGD CN(CC(=O)N1CC=C(C#N)CC1)S(C)(=O)=O 1319656046 AYNVOSWLLONIMZ-UHFFFAOYSA-N 257.315 -0.440 50 20 CBGD CN(C)N(C(=O)c1ccc(C=O)[nH]1)[C@@H]1CCS(=O)(=O)C1 1326112317 PIUSKSHMYKWAET-SNVBAGLBSA-N 299.352 -0.067 50 20 CBGD C=CCNC(=S)NNC(=O)Cc1nnc(C)o1 1327649887 JITHIDSXISXNQA-UHFFFAOYSA-N 255.303 -0.398 50 20 CBGD Cc1nn(CCO)c(C)c1C=NNC(=O)c1cc[nH]n1 1333708563 TWSHAIRBGVDOOZ-UHFFFAOYSA-N 276.300 -0.021 50 20 CBGD CNC(=O)NNC(=O)c1cnc2sc(C)c(C)n2c1=O 1337240300 UBLKCWGUFKCFEJ-UHFFFAOYSA-N 295.324 -0.053 50 20 CBGD Cn1ccnc(NNC(=O)c2cnsn2)c1=O 1339893128 RSSZLEZGLHJIAM-UHFFFAOYSA-N 252.259 -0.611 50 20 CBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)CC1CC1 1347017263 UJNHNAABZVBEQH-KOLCDFICSA-N 266.345 -0.678 50 20 CBGD COC(=O)C(=O)NN=Cc1ccnn1CC1CC1 1347226043 UWUOUIXCVDQDFI-UHFFFAOYSA-N 250.258 -0.084 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1 1353717827 WDEZPYXYLFPEJA-VIFPVBQESA-N 296.356 -0.620 50 20 CBGD Cn1cc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)cn1 1549317426 WICFXDKELMFQHG-VXGBXAGGSA-N 277.328 -0.267 50 20 CBGD CC(C)[C@H](N)CNC(=O)NNC(=O)c1cnsn1 1575461890 XYFTVLMLHXGUQI-ZCFIWIBFSA-N 272.334 -0.535 50 20 CBGD C[C@H](OCc1cnn[nH]1)C(=O)NNC(=O)CC1CC1 1575878303 KPOFECJBDVABAO-ZETCQYMHSA-N 267.289 -0.343 50 20 CBGD C[C@@]1(C(=O)NNC(=O)Cc2cccnc2)C[C@H](N)CCO1 1576350491 PKIMUUIKAMVOBG-RISCZKNCSA-N 292.339 -0.332 50 20 CBGD O=C(NNC(=O)c1ccncc1)C1=NO[C@]2(CCNC2)C1 1580736962 FFHXYUUDWQWPGB-CYBMUJFWSA-N 289.295 -0.649 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCC[C@H](C(=O)O)C1 1590938591 GNASNYVWVDZAGD-VIFPVBQESA-N 271.317 -0.414 50 20 CBGD O=C(NNC(=O)c1ccc(C(=O)O)o1)c1cn[nH]c1 1601555035 NOMLNUDYQVQMAA-UHFFFAOYSA-N 264.197 -0.224 50 20 CBGD O=C(O)[C@H]1CCCN1C(=O)c1cccc(B(O)O)c1 1602212124 BOZAIBMJHDSZNV-SNVBAGLBSA-N 263.058 -0.944 50 20 CBGD Cn1nc(C(=O)NNc2ncccc2C(=O)O)ccc1=O 1605532962 NMJBWWPKSYBYES-UHFFFAOYSA-N 289.251 -0.370 50 20 CBGD NC(=O)NCCC(=O)NNc1ccc(CC(=O)O)cc1 1608238191 NRDGMUDWNMXMRC-UHFFFAOYSA-N 280.284 -0.185 50 20 CBGD CC(C)C(=O)NNC(=O)c1ccnc(-c2nn[nH]n2)c1 1609086131 LJRUVCASUVUOCI-UHFFFAOYSA-N 275.272 -0.321 50 20 CBGD NC(=O)C(=O)NN=Cc1cccc(F)c1C(=O)O 1776015617 GCDJVKHHSFKZMX-UHFFFAOYSA-N 253.189 -0.541 50 20 CBGD COCCOCC(=O)NN=Cc1c[nH]c(C(=O)O)c1 1776097921 KRVGHAUSVLKGJD-UHFFFAOYSA-N 269.257 -0.174 50 20 CBGD O=C(CN1CCSC1=O)NNC(=O)NC1CC1 49150973 LVBYWNIYFNPOSB-UHFFFAOYSA-N 258.303 -0.352 50 20 CBGD CN1N=C(C(=O)NNC(=O)NCc2ccco2)CCC1=O 65176799 RXSAMMDSKXLCLW-UHFFFAOYSA-N 293.283 -0.282 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@H](C)NC(N)=O 67438528 XKWMHAVSHIRXBG-ZETCQYMHSA-N 280.284 -0.487 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)c2ccccc2O)C1 268026892 SXUQUTFHTKVDTO-NSHDSACASA-N 279.296 -0.516 50 20 CBGD COCCN(C)NC(=O)c1ccn(CCOC)n1 294186350 DDKKQECRGQMRKG-UHFFFAOYSA-N 256.306 -0.248 50 20 CBGD COC(=O)NNC(=O)CNC(=O)c1ccc2c(c1)OCO2 490540919 RZVWTUCYEBOEHY-UHFFFAOYSA-N 295.251 -0.468 50 20 CBGD CCOC(=O)NNC(=O)c1ccc2nnc(O)n2c1 494123868 LBJLFZMVGZVTPD-UHFFFAOYSA-N 265.229 -0.174 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 495045587 HNZOSYRGHUUYRG-UHFFFAOYSA-N 282.212 -0.080 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@@H]1NC(=O)O[C@@H]1C 496992990 ADLKXRZJSWFBOU-GMSGAONNSA-N 293.279 -0.047 50 20 CBGD CC[C@H](NC(=O)c1cccc(B(O)O)c1)[C@@H]1CCOC1 584951533 JJPYYLFFBQJFPW-YPMHNXCESA-N 277.129 -0.089 50 20 CBGD CCC(CC)[C@H](O)CNC(=O)c1cccc(B(O)O)c1 584959219 FBCPFEYGRXJOFM-CYBMUJFWSA-N 279.145 -0.107 50 20 CBGD CC[C@@](C)(CO)CNC(=O)c1cc(B(O)O)ccc1F 584964209 DVHICYFHXYNHHK-CYBMUJFWSA-N 283.108 -0.356 50 20 CBGD C[C@@H]1CC[C@H](CNC(=O)c2ccc(B(O)O)c(F)c2)O1 584998719 QRXYMQFWQFRSSZ-PSASIEDQSA-N 281.092 -0.197 50 20 CBGD C[C@@H](CO)[C@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 585006990 RZFMAMBWLKVAJT-SMDDNHRTSA-N 291.156 -0.011 50 20 CBGD C[C@H](CNCc1ccccc1B(O)O)C[C@@H](C)O 585024986 JBGHONZFKZSBEQ-WDEREUQCSA-N 251.135 -0.137 50 20 CBGD CSC[C@H](CCO)NCc1ccc(B(O)O)o1 585028295 IWVLIGAZBLLNHU-QMMMGPOBSA-N 259.136 -0.837 50 20 CBGD OB(O)c1ccccc1CNCCCO[C@H]1CCOC1 585031700 XMYBDSYFKQWCNF-ZDUSSCGKSA-N 279.145 -0.348 50 20 CBGD OC[C@H](NCc1ccc(B(O)O)cc1F)[C@H]1CCCO1 585039556 WUMRMLDSYOEWTP-QWHCGFSZSA-N 283.108 -0.865 50 20 CBGD Cc1noc(C)c1CC(=O)NNC(=O)CN(C)C 727761537 MJIZKFWWPCCMQG-UHFFFAOYSA-N 254.290 -0.457 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)CCNS(C)(=O)=O 728608846 GLGSMOMHVLXOCN-UHFFFAOYSA-N 279.362 -0.491 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(CNC(C)=O)CC1 732198098 HNOCCRRIZVCMEU-SNVBAGLBSA-N 298.387 -0.220 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](OCCO)C1 734485536 MFYGAOJZDXHKRX-GHMZBOCLSA-N 287.360 -0.594 50 20 CBGD CCCNC(=O)NNS(=O)(=O)N1CCCCC1 742028352 HKOCZJFHIYBDOR-UHFFFAOYSA-N 264.351 -0.069 50 20 CBGD CN(NC(=O)COCCNC(=O)c1ccccc1)C(N)=O 752717114 HLVUPFGDNUVXIX-UHFFFAOYSA-N 294.311 -0.525 50 20 CBGD O=C(CO)NNC(=O)c1cnn(-c2ccc(Cl)cc2)n1 753451703 HPRWHUXRGUMPRL-UHFFFAOYSA-N 295.686 -0.326 50 20 CBGD CC(C)CC(=O)NNC(=O)N[C@@H]1CCCS(=O)(=O)C1 758664713 XEZHOCYAXNMWOX-SECBINFHSA-N 291.373 -0.060 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)NCc1ccco1 761146293 DHMVBPWGAYGFKB-UHFFFAOYSA-N 269.261 -0.961 50 20 CBGD Cc1cccc(C)c1NC(=O)C(=O)NNC(=O)CO 764428861 LQZOKKUGYBLYDY-UHFFFAOYSA-N 265.269 -0.618 50 20 CBGD CC(=O)NNS(=O)(=O)c1cc(F)cc(C(=O)O)c1 775247884 GCGXWMQISAQBNQ-UHFFFAOYSA-N 276.245 -0.147 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)[C@@H](C)COC 782477353 OJUSDPROVMVJLH-ZETCQYMHSA-N 253.324 -0.483 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 787250516 APTUEZXEIOHJMQ-BDAKNGLRSA-N 270.333 -0.029 50 20 CBGD O=C(CN1CC[C@@](F)(CO)C1)NNC(=O)c1ccccc1 802013163 VNFNZQZZVQKCPH-AWEZNQCLSA-N 295.314 -0.146 50 20 CBGD C[C@@H](C(=O)NNC(=O)CO)N(C)CC(F)(F)F 807198758 ODELUUBLCWAVBM-YFKPBYRVSA-N 257.212 -0.991 50 20 CBGD C=C[C@](C)(O)CC(=O)NNC(=O)c1cnn(C)c1 810416852 BQSGLYHCMKDVHS-NSHDSACASA-N 252.274 -0.492 50 20 CBGD O=C(CN1CCCS1(=O)=O)NNc1ncncc1F 817071486 VAHSXFXQDYBJGK-UHFFFAOYSA-N 289.292 -0.906 50 20 CBGD CN(NC(=O)C(F)(F)C(=O)N1CCOCC1)C1CC1 818096846 XAUBJKXFQSLZSF-UHFFFAOYSA-N 277.271 -0.394 50 20 CBGD Cn1nc(C(F)(F)F)cc1NC(=O)NNC(=O)CO 826135386 HWOOMNMNSXARDJ-UHFFFAOYSA-N 281.194 -0.416 50 20 CBGD Cc1cccnc1NNC(=O)CNS(=O)(=O)N(C)C 834347877 BVCZKTOURPYEQB-UHFFFAOYSA-N 287.345 -0.771 50 20 CBGD CCn1nncc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843662651 UNHRABJRJRXLSI-HTQZYQBOSA-N 267.289 -0.516 50 20 CBGD Cn1cc([C@H](O)C(=O)NNC(=O)CC(F)(F)F)cn1 855000360 GXHCLMFEXUPQHN-ZETCQYMHSA-N 280.206 -0.447 50 20 CBGD COc1nccnc1NNC(=O)[C@]1(O)CCOC1 857539760 CFRXLHUASQIOBZ-JTQLQIEISA-N 254.246 -0.920 50 20 CBGD CCc1ccc(O)c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862460331 FYPGIFMAYIXKEW-SNVBAGLBSA-N 291.307 -0.006 50 20 CBGD CCC(=NNC(=O)[C@H]1CCC(=O)N1)c1cnn(C)c1 863148837 LEGTXBQBNGYXQU-SNVBAGLBSA-N 263.301 -0.071 50 20 CBGD COC(=O)[C@H]1C[C@@H](NC(=O)c2cc(B(O)O)ccc2F)C1 863885824 PIJUHCWUXGCQEM-OTSSQURYSA-N 295.075 -0.813 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCC(F)(F)C1 867238906 DLWNYWYSBLBRHP-UHFFFAOYSA-N 273.019 -0.013 50 20 CBGD O=C(CN1CCOCC1)NNC(=S)Nc1ccccn1 874956204 PJTKSJJBJQGHAA-UHFFFAOYSA-N 295.368 -0.269 50 20 CBGD O=Cc1ccccc1OCC(=O)N1CC[C@@H](B(O)O)C1 874970320 UVXUVFWMCIKYHN-LLVKDONJSA-N 277.085 -0.047 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CCc2c[nH]nc2C1 910164020 QOHPROYVBACNAH-IUCAKERBSA-N 252.318 -0.142 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccc2c(c1)nnn2C 910166099 SEFBRJNFHSKWGZ-QMMMGPOBSA-N 263.301 -0.074 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1cnsn1 919683641 FDPGYEMRNUNDRM-UHFFFAOYSA-N 251.271 -0.049 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2COC[C@@H]2C)n1 925991208 MYCIKUXVIVOVFD-GZMMTYOYSA-N 295.343 -0.135 50 20 CBGD O=C(CN1CC[C@H]1CO)NNC(=O)c1ccc(F)cc1 934021028 COEQMZACNITDOE-NSHDSACASA-N 281.287 -0.347 50 20 CBGD O=C(NNC(=O)[C@H]1CCCS(=O)(=O)C1)C1CC1 1118236608 WWVKQCSVTRWUHP-QMMMGPOBSA-N 260.315 -0.631 50 20 CBGD O=C(CCCc1ccccn1)NNC(=O)[C@H]1CCC(=O)N1 1261830342 SOOICXUGVTUHON-LLVKDONJSA-N 290.323 -0.170 50 20 CBGD NC(=O)N1CCC[C@@H](C(=O)NNC(=O)C2CC2)C1 1318011550 XHTARBRGMIWOTJ-MRVPVSSYSA-N 254.290 -0.666 50 20 CBGD O=C(NCC1CCS(=O)(=O)CC1)NNc1ncccn1 1319720915 NHXQARGYAIUXDE-UHFFFAOYSA-N 299.356 -0.073 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCC[C@H]1CCO 1320503715 HPGRXYRMPUDLMX-JGVFFNPUSA-N 273.289 -0.959 50 20 CBGD COC(=O)C(=O)NN=Cc1cc(O)ccc1[N+](=O)[O-] 1322374290 KDMXDALQNYLKBZ-UHFFFAOYSA-N 267.197 -0.077 50 20 CBGD O=C1C[C@@H](C(=O)NNC(=O)NCc2ccco2)CCN1 1322558052 UJALBKGMYYNXJV-QMMMGPOBSA-N 280.284 -0.364 50 20 CBGD COCCn1cc(C=NNC(=O)C(=O)NC2CC2)cn1 1323267843 BPVPAOOLKPMLMO-UHFFFAOYSA-N 279.300 -0.742 50 20 CBGD Cc1cccc(NC(=O)C(=O)NNC(=O)CCO)c1C#N 1325519140 FIWGTYMSYPYNSV-UHFFFAOYSA-N 290.279 -0.665 50 20 CBGD C[C@@H](N)C[C@@H](C)NC(=O)NNC(=O)C1CCNCC1 1326811031 RJVWERLRJDTJFY-RKDXNWHRSA-N 271.365 -0.558 50 20 CBGD Cc1cccc(C(=O)NNC(=O)NCC(=O)NC2CC2)n1 1326832245 PYDXBNPPNYTRBZ-UHFFFAOYSA-N 291.311 -0.387 50 20 CBGD CNC(=O)C(C)(C)CNC(=O)NNC(=O)c1cn[nH]c1 1328789951 XXROEIXUUOBSLE-UHFFFAOYSA-N 282.304 -0.874 50 20 CBGD Cn1ncc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1C1CC1 1329172806 PCUREVSPQDJUEJ-SECBINFHSA-N 291.311 -0.663 50 20 CBGD CNC(=O)c1ccc(C(=O)N2CC[C@H](B(O)O)C2)cn1 1331827122 OAXMIZMHBWAYSQ-VIFPVBQESA-N 277.089 -0.870 50 20 CBGD C[C@@H](O)CN(C)NC(=O)C1(O)Cc2ccccc2C1 1332629766 ZXTXISYODPBBNZ-SNVBAGLBSA-N 264.325 -0.140 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cncnc1 1337859402 ACKPYCDJYVCTNE-UHFFFAOYSA-N 289.251 -0.739 50 20 CBGD C[C@H](O)c1cn(CC(=O)NNc2ncncc2F)nn1 1347728409 MKYDWBQUMSREOT-LURJTMIESA-N 281.251 -0.596 50 20 CBGD Cc1cc(NNC(=O)[C@@H]2[C@H]3CCNC[C@H]32)nc(N)n1 1579635729 LEZCDTRXMCUHLE-QXFUBDJGSA-N 262.317 -0.334 50 20 CBGD Cn1ccnc(NNC(=O)C[C@H]2CC[C@@H](N)C2)c1=O 1579977240 MWHXQDHBAVFMBV-DTWKUNHWSA-N 265.317 -0.259 50 20 CBGD CCN(CC(=O)NNC(=O)C(C)(C)C)[C@@H](C)C(=O)O 1589718994 ZBSYYHGYMCDBAX-QMMMGPOBSA-N 273.333 -0.025 50 20 CBGD CN(NC(=O)c1cscc1-c1nn[nH]n1)C(N)=O 1591154488 TYDBVLQIGGRJJH-UHFFFAOYSA-N 267.274 -0.417 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc(F)c(C(=O)O)c1 1601330121 MMVMFNHFCRUELV-UHFFFAOYSA-N 271.204 -0.331 50 20 CBGD Cn1ncc(C(=O)NNc2ccc(C(=O)O)cn2)n1 1608155232 FDGZLWJFPYDSTH-UHFFFAOYSA-N 262.229 -0.335 50 20 CBGD CC(=NNC(=O)[C@H]1CCCO1)c1cn(CC(=O)O)nn1 1609553222 PSXGXUGKANVLHL-SECBINFHSA-N 281.272 -0.618 50 20 CBGD Cn1cc([C@@H]2CN(C(=O)CCl)C[C@H]2C(N)=O)cn1 1887529343 DKZGRYAQUBXEAV-DTWKUNHWSA-N 270.720 -0.314 50 20 CBGD O=C(NNC(=O)C1[C@@H]2CCC[C@@H]12)C(=O)N1CCCC1 178172956 MKDVIEUVJZZZJC-RKDXNWHRSA-N 265.313 -0.198 50 20 CBGD CSCC[C@H](O)C(=O)NNC(=O)c1ccncc1 274455973 UBYLRRFRYMDUJW-VIFPVBQESA-N 269.326 -0.043 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2ccncn2)n1 275186448 XUWBPUZOPJVYGR-UHFFFAOYSA-N 274.284 -0.249 50 20 CBGD Cc1cccnc1NNC(=O)NCCN1C(=O)CNC1=O 276610105 FJSAHGNNODBMPT-UHFFFAOYSA-N 292.299 -0.432 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1CCc2nccn2C1 370407521 QLLPYYAACYDTHD-SNVBAGLBSA-N 295.343 -0.188 50 20 CBGD C#C[C@@H](CC)NC(=O)NNC(=O)CNC(=O)c1ccco1 491630317 MUCKLCWSHJUWNR-VIFPVBQESA-N 292.295 -0.248 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1cccnc1OC 495326894 SJOUOLDCWNCEJF-UHFFFAOYSA-N 282.256 -0.194 50 20 CBGD CC1(C)CN(C(=O)c2ccc(B(O)O)c(F)c2)CCO1 584929657 UMUJUXMERDGWOZ-UHFFFAOYSA-N 281.092 -0.244 50 20 CBGD CC[C@](NC(=O)c1cccc(B(O)O)c1)(C(N)=O)C1CC1 584974997 CYUPBZCOFXUQSH-CQSZACIVSA-N 290.128 -0.860 50 20 CBGD OC[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NCc1ccccc1B(O)O 585040187 GZFRXRUJOKDOAL-MEDZGJRSSA-N 275.157 -0.137 50 20 CBGD OB(O)c1ccc(CNCCC2(O)CCC2)c(F)c1 585041169 CKTLLWQXDSFIMJ-UHFFFAOYSA-N 267.109 -0.100 50 20 CBGD OB(O)c1ccc(CNC[C@@H]2CC23CCOCC3)o1 585042742 CQLJJNWRQREAAK-JTQLQIEISA-N 265.118 -0.134 50 20 CBGD CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NCB(O)O 585059686 XAHBRUUTGZJHQX-MRVPVSSYSA-N 288.178 -0.548 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CN(C)C(=O)O 738828220 SEUNPAXCZVDCSI-UHFFFAOYSA-N 255.234 -0.911 50 20 CBGD CN(NC(=O)c1cn(CC(N)=O)nn1)c1ccccc1 743291569 MTCBSZTYYLZLDH-UHFFFAOYSA-N 274.284 -0.455 50 20 CBGD CCn1c(=O)c2ccccc2n(CC(=O)NN)c1=O 746023400 PFUFFGGJUYXADI-UHFFFAOYSA-N 262.269 -0.827 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1cncc(F)c1 749153530 DYYDWOBIDHKXFZ-UHFFFAOYSA-N 262.266 -0.267 50 20 CBGD C[C@@H](C(=O)NNC(=O)[C@H]1COc2ccccc2O1)N(C)C 750015715 NQJSLEDKRNEXBN-JOYOIKCWSA-N 293.323 -0.076 50 20 CBGD COc1cc(C)nc(NNC(=O)CCc2nc[nH]n2)n1 750627585 XHIWGJCOKQDLPG-UHFFFAOYSA-N 277.288 -0.012 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)CC(F)(F)F 753418866 WNCOOAMBUOXXPT-YFKPBYRVSA-N 267.207 -0.293 50 20 CBGD O=C(NNC(=O)C1(O)CCCC1)N1CCOCC1 754993654 GOZKVZCJFGGYFJ-UHFFFAOYSA-N 257.290 -0.636 50 20 CBGD O=C(CO)NNC(=O)Nc1cnn(-c2ccccc2)n1 757830168 WHPJNGHNGIWHBR-UHFFFAOYSA-N 276.256 -0.588 50 20 CBGD CCOC(=O)[C@H]1CCC(=NNC(=O)C(N)=O)C[C@H]1C 758093692 NBEQILTXOBVTNO-APPZFPTMSA-N 269.301 -0.057 50 20 CBGD COc1nccnc1NNC(=O)[C@H](C)S(C)(=O)=O 764460126 JMEVBNKCPQXHKR-LURJTMIESA-N 274.302 -0.639 50 20 CBGD COCCCNC(=O)NNC(=O)[C@]1(O)CCSC1 765686566 UIGBZUKRHJTXJA-JTQLQIEISA-N 277.346 -0.779 50 20 CBGD CN(C)CC(=O)NNC(=O)c1c2c(nn1C)CCCC2 767945903 DQAFTTDFRLEVKN-UHFFFAOYSA-N 279.344 -0.379 50 20 CBGD C=CCOC(=O)/C(C#N)=C\c1cn(CC(=O)O)nn1 768847452 GMZLLBLQKPTPRN-YWEYNIOJSA-N 262.225 -0.001 50 20 CBGD CCc1nnc(O)c(C(=O)NNC(=O)CN(C)C)c1CC 771013899 DFECPAGMTGJVHU-UHFFFAOYSA-N 295.343 -0.370 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)NC(=O)CC 771996537 XHPVKJMVHFOONS-HTQZYQBOSA-N 287.316 -0.610 50 20 CBGD CCNC(=O)N(C)NC(=O)CCN1CCOCC1 780707862 AOSKBZAEIQIPOH-UHFFFAOYSA-N 258.322 -0.599 50 20 CBGD CCOC(=O)c1cc(C=NNC(=O)C(=O)NC2CC2)on1 792943067 LDOLFWCMOYOKSV-UHFFFAOYSA-N 294.267 -0.420 50 20 CBGD C[C@](O)(C(=O)NNC(=O)N1CCOCC1)C1CC1 804324800 XFMZDGWQXSMTPZ-LLVKDONJSA-N 257.290 -0.780 50 20 CBGD C[C@](O)(C(=O)NNC(=O)N1CCOCC1)C1CCC1 813428159 UFONFDMHMVWKIP-GFCCVEGCSA-N 271.317 -0.390 50 20 CBGD CCCNC(=O)NNS(=O)(=O)C[C@@H](CC)OC 817355474 OTJDUWBNOPOQQE-MRVPVSSYSA-N 267.351 -0.045 50 20 CBGD CN(NC(=O)c1cnn(C)c1-n1cnnc1)C1CC1 819651584 PZCXQQMMTYQSAQ-UHFFFAOYSA-N 261.289 -0.260 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)[C@H]2CCCS2)nn1 819821277 VUTFCHKUUKUGFT-MRVPVSSYSA-N 283.313 -0.292 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@@]1(C)CCNC1=O)C1CC1 824328986 YWXXSEBJEAHMQH-MADCSZMMSA-N 284.385 -0.194 50 20 CBGD CN(C)CC1(C(=O)NNC(=O)c2cn[nH]c2)CC1 824857585 UUMJVUBVZJTHEC-UHFFFAOYSA-N 251.290 -0.488 50 20 CBGD CCCCS(=O)(=O)NCC(=O)NN(C)CCOC 837625624 CSEDVTKMZJKBNA-UHFFFAOYSA-N 281.378 -0.685 50 20 CBGD CC[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)N(C)C 843980102 RILPCVHFRWVXHX-KXUCPTDWSA-N 257.334 -0.101 50 20 CBGD CC(C)(C)C(=O)NNS(=O)(=O)N1CCCOCC1 844647506 RNJPCPVMRAWRPI-UHFFFAOYSA-N 279.362 -0.380 50 20 CBGD NC(=O)c1ccc(/C=C/C(=O)NNC(=O)C2CC2)o1 854179679 ALWNZKXKEYFSRB-GQCTYLIASA-N 263.253 -0.051 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=O)CC(F)(F)F 854997439 JOPBBJPOLJYMCF-RXMQYKEDSA-N 258.196 -0.252 50 20 CBGD CNC(=O)NCC(=O)NNC(=S)NCC1CCC1 855090988 XOACIAZYSBYQTQ-UHFFFAOYSA-N 273.362 -0.789 50 20 CBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)c1cccc(F)n1 856426610 BOQKLDWNZKAWOI-RQJHMYQMSA-N 280.259 -0.507 50 20 CBGD CCN1CCC[C@H]1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858120672 ITHKOEURJLTBRL-VHSXEESVSA-N 297.359 -0.920 50 20 CBGD Cc1cccc(O)c1C(=O)NNC(=O)C(=O)NC1CC1 858168363 SPPJPYPSZWEWKY-UHFFFAOYSA-N 277.280 -0.260 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@H]2CC=CCC2)N1 858697297 OWJAPZOUWLFTNC-UWVGGRQHSA-N 280.328 -0.048 50 20 CBGD C[C@@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)N1CCCCCC1 862454294 FAHYCSMSUUXMHZ-QWRGUYRKSA-N 296.371 -0.323 50 20 CBGD O=C(C[C@@H]1CCCOC1)NNC(=O)c1cn[nH]c1 862470293 MASKXEBWVACPAG-QMMMGPOBSA-N 252.274 -0.013 50 20 CBGD CN(CC(=O)NNC(=O)c1cn[nH]c1)[C@H]1CCSC1 862472524 LOYRXSSYDJEIQC-VIFPVBQESA-N 283.357 -0.392 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1CSCCS1 863462169 JOZJIVHVTUDFDJ-ZCFIWIBFSA-N 298.411 -0.973 50 20 CBGD O=C(NOC[C@@H]1CCOC1)c1ccc(B(O)O)cc1 863880045 LNIDQELDALKQGO-SECBINFHSA-N 265.074 -0.936 50 20 CBGD COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](B(O)O)C2)n1 864234684 ZYGFMZAMJZLVTK-SSDOTTSWSA-N 295.060 -0.171 50 20 CBGD CCCSCC(=O)NNC(=O)COCCOC 869909325 QYBZJAIWOYVQQC-UHFFFAOYSA-N 264.347 -0.060 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCC(F)CC2)N1 883737697 HPXOAXPLXJRLRG-QMMMGPOBSA-N 272.280 -0.560 50 20 CBGD C#CCCCC(=O)NNC(=O)C[C@@H]1CCC(=O)NC1 887150618 QLUZCOAMXYZBMP-JTQLQIEISA-N 265.313 -0.146 50 20 CBGD COc1ncc(/C=C/C(=O)NN(C)C[C@@H](C)O)cn1 910157909 BHGXMVJBKPRQQQ-XNPJLODASA-N 266.301 -0.158 50 20 CBGD CCOc1cnc(C(=O)NN(C)C[C@@H](C)O)cn1 910161609 WWTDXSOMOBROLU-MRVPVSSYSA-N 254.290 -0.167 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)NCc2cc[nH]n2)n1 916635846 AOGMZWTUBMSLRY-UHFFFAOYSA-N 291.315 -0.246 50 20 CBGD O=C(NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)NC1CC1 920823239 HNOBMHFNHCRFCK-SSDOTTSWSA-N 266.301 -0.510 50 20 CBGD N=C1NC(=O)[C@H](CC(=O)NNc2cccnn2)S1 1116568930 ZRFRFBOFLISGEE-YFKPBYRVSA-N 266.286 -0.524 50 20 CBGD COC(=O)[C@H]1C[C@@H](C(=O)NNC(=O)NCC2CC2)C1 1120681516 MGNPPPPIDHWLOP-DTORHVGOSA-N 269.301 -0.074 50 20 CBGD CC(=O)NCCCNC(=O)NNC(=O)Cc1cccnc1 1251630067 RXLDCHNKCSKJNZ-UHFFFAOYSA-N 293.327 -0.519 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H]1COc2ccccc21 1261211668 DIIIVDASIGYKQY-QMMMGPOBSA-N 293.279 -0.334 50 20 CBGD Cc1c(C=NNC(=O)CO)c(=O)n(-c2ccccc2)n1C 1319969959 GVAMVQRTJFKUEK-UHFFFAOYSA-N 288.307 -0.073 50 20 CBGD N#Cc1cc(NC(=O)C(=O)NNC(=O)CCO)ccc1F 1320236703 DVNFTUMJOGCYSX-UHFFFAOYSA-N 294.242 -0.834 50 20 CBGD CCc1cc(C(=O)NNC(=O)C(=O)NC2CC2)c(C)nn1 1320294769 DYPIXFLBJLFHOW-UHFFFAOYSA-N 291.311 -0.613 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1scnc1C1CC1 1320358441 VNWUKBQKABUECJ-UHFFFAOYSA-N 298.324 -0.247 50 20 CBGD COC(C)(C)CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1322174878 ONZFHCOJZKMLGS-QMMMGPOBSA-N 292.357 -0.616 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NC1CCOCC1 1326732592 ILRKALPBOHLVOK-PSASIEDQSA-N 271.317 -0.079 50 20 CBGD O=C(NNc1ccncn1)[C@@H]1CCCS1(=O)=O 1329084655 QGKAFZGWNFWBSN-ZETCQYMHSA-N 256.287 -0.503 50 20 CBGD Cc1nn(CCO)c(C)c1CN1CC[C@H](B(O)O)C1 1329216268 WATXVQDCIAHVSC-NSHDSACASA-N 267.138 -0.459 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CCc2nncn2C1 1331203375 IVZPVYBGEAATSC-SSDOTTSWSA-N 268.346 -0.692 50 20 CBGD CC[C@@H](NC(C)=O)C(=O)NNC(=S)NC(C)C 1331845024 BUKICFGZJOIZQY-MRVPVSSYSA-N 260.363 -0.195 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCN1CCC(C)(C)C1 1335582184 JCHSDRNHWMKHPW-UHFFFAOYSA-N 286.332 -0.778 50 20 CBGD Cc1cc(COCC(=O)NN(C)C[C@H](C)O)no1 1358307479 TWKLIDBFCYPBKS-QMMMGPOBSA-N 257.290 -0.157 50 20 CBGD C[C@H](CO)N(C)NC(=O)C1(CC(=O)O)CCOCC1 1589073632 RZMXNVYAJAUZGD-SECBINFHSA-N 274.317 -0.398 50 20 CBGD O=C(O)Cn1cccc1C=NNC(=O)[C@H]1COCCO1 1595158451 OIOPCKRLPOVITA-SNVBAGLBSA-N 281.268 -0.562 50 20 CBGD NC(=O)c1ccc(NC(=S)NNC(=O)C(=O)O)cc1 1601167121 KETOHXQNKKNYPE-UHFFFAOYSA-N 282.281 -0.812 50 20 CBGD O=C(NC[C@H]1C[C@H]1C(=O)O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1608461109 RMFQMFXHSSZVOI-VVULQXIFSA-N 297.311 -0.395 50 20 CBGD COc1cc(F)cc(CNC(=O)NNC(=O)C(=O)O)c1 1610297527 OBAHOVYATPNBKS-UHFFFAOYSA-N 285.231 -0.251 50 20 CBGD CC[C@@H](C(=O)NNC(=O)c1cnn(C)c1)N(C)C 152754160 LJKQQCBMIDQPDR-VIFPVBQESA-N 253.306 -0.479 50 20 CBGD CC(C)(C)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 178128495 LZAYOGVUCVBWIV-MRVPVSSYSA-N 293.327 -0.044 50 20 CBGD O=C(NNC(=O)[C@@H]1CC[C@@H](C(=O)O)O1)c1ccccn1 276223144 XVEPYJUTAYKUKC-IUCAKERBSA-N 279.252 -0.525 50 20 CBGD C[C@H]1CN(C)CC[C@H]1NC(=O)c1ccc(B(O)O)cc1 584937139 LTZXJBWKHAMOFI-GXFFZTMASA-N 276.145 -0.564 50 20 CBGD C[C@H]1COC[C@H](C)N1C(=O)c1ccc(B(O)O)c(F)c1 584949587 IALOIKZVNADTIM-IUCAKERBSA-N 281.092 -0.245 50 20 CBGD C[C@H]1CCN(CCNC(=O)c2cc(B(O)O)ccc2F)C1 584956197 YGIUSYPYQIPMHB-JTQLQIEISA-N 294.135 -0.423 50 20 CBGD C[C@@H]1CC[C@H](O)CN1C(=O)c1ccc(B(O)O)c(F)c1 584999231 DRLXOGMZNCCBMC-SCZZXKLOSA-N 281.092 -0.509 50 20 CBGD CC(C)C[C@H](O)CNCc1cccc(B(O)O)c1 585024897 GQLPXLYUKNPVER-ZDUSSCGKSA-N 251.135 -0.137 50 20 CBGD CCCC[C@H](NCc1ccc(B(O)O)o1)[C@@H](C)O 585046182 RUNNGMFEYMYCFZ-KOLCDFICSA-N 255.123 -0.011 50 20 CBGD O=C(NCc1nc(-c2ccc(B(O)O)cc2)no1)C1CC1 585049090 KIKMVEYAZMCEOX-UHFFFAOYSA-N 287.084 -0.557 50 20 CBGD COc1cc(OC)c(OC)cc1/C=C/C(=O)NCB(O)O 585057621 HSHVNWQZOMTCSL-SNAWJCMRSA-N 295.100 -0.146 50 20 CBGD CCn1nc(C(=O)NCB(O)O)c(=O)c2ccccc21 585060594 SVDJFKYBIXDAAE-UHFFFAOYSA-N 275.073 -0.842 50 20 CBGD CCN1CCCC[C@H]1C(=O)N1CC[C@@H](B(O)O)C1 585079389 ZUAGHEFIMONIAW-MNOVXSKESA-N 254.139 -0.064 50 20 CBGD CN1CC[C@](O)(CNS(=O)(=O)CCCCCl)C1 702553990 PQMBSMILFYOOHP-JTQLQIEISA-N 284.809 -0.009 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)Cn2cncn2)c1 728826675 AXORZLTUDRGIJL-UHFFFAOYSA-N 270.252 -0.389 50 20 CBGD CN(C)S(=O)(=O)NNC(=O)c1ccc2c(c1)OCO2 742026115 XXLSKKIWOHTGAN-UHFFFAOYSA-N 287.297 -0.544 50 20 CBGD COc1cc(C)nc(NNC(=O)Cn2cncn2)n1 746633602 XNXBMHAZFQEAEP-UHFFFAOYSA-N 263.261 -0.472 50 20 CBGD N#CC1(C(=O)NNC(=O)C(=O)N2CCCC2)CCCC1 748247843 VVWHKSIBNGNYOI-UHFFFAOYSA-N 278.312 -0.160 50 20 CBGD CC(=O)Nc1ccc(O)c(C(=O)NNC(=O)CO)c1 753445360 YMVVKXYCHCLVAO-UHFFFAOYSA-N 267.241 -0.896 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCNC(=O)c1ccsc1 768245512 VGCTYZNNFUEOHE-UHFFFAOYSA-N 299.352 -0.214 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N[C@H](CO)C1CC1 771817642 HYOYMHUKTOJPQB-GXSJLCMTSA-N 271.361 -0.071 50 20 CBGD CC(=NNC(=O)CO)c1cccc(OCC(=O)N(C)C)c1 776779926 NFGJHEOLSNFNSV-UHFFFAOYSA-N 293.323 -0.014 50 20 CBGD COC[C@H](C)C(C)=NNC(=O)[C@H](C)NS(C)(=O)=O 777886263 VGORUWHTFZOLPZ-CBAPKCEASA-N 279.362 -0.301 50 20 CBGD COc1cccc(C[C@H](O)C(=O)NN(C)C(N)=O)c1 785419269 AWFDKJMCZZRACB-JTQLQIEISA-N 267.285 -0.360 50 20 CBGD CCS(=O)(=O)CC(=O)NNc1nc2ccccn2n1 791241898 AKVCMELZUPTNNR-UHFFFAOYSA-N 283.313 -0.393 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NCC1(S(C)(=O)=O)CC1 792929475 NUQTUPMMGKUPTF-UHFFFAOYSA-N 291.373 -0.060 50 20 CBGD CN(C)c1nccc(NNC(=O)c2cnn(C)n2)n1 806900867 DQVVNCSDOQWDFD-UHFFFAOYSA-N 262.277 -0.572 50 20 CBGD Cc1nc2ccccc2c(=O)n1CC(=O)NNc1nc[nH]n1 816634270 CVGQWGDZPBNLII-UHFFFAOYSA-N 299.294 -0.034 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CC(c2cccnc2)=NO1 823927890 IKGFHJGVZKIJAT-JOYOIKCWSA-N 278.312 -0.082 50 20 CBGD COC[C@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@H]1C 825547410 LYGJRXAXNKQBSQ-CIUDSAMLSA-N 259.306 -0.223 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCC(=O)C1 830897612 SSEMQBOGMXTJLR-SFYZADRCSA-N 270.285 -0.155 50 20 CBGD O=C(NN=C1CCN(C(=O)O)CC1)[C@@H]1COCCO1 831731189 SWXIUKZJJZYRQZ-VIFPVBQESA-N 271.273 -0.352 50 20 CBGD CO[C@H](CC(C)C)C(=O)NNC(=O)C(=O)NC(C)C 841376991 COXMJKLQQMUZQU-SECBINFHSA-N 273.333 -0.281 50 20 CBGD C#CCOCCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843662446 RCTPLXCOICUZLK-NXEZZACHSA-N 254.286 -0.401 50 20 CBGD C[C@H]1CN(S(=O)(=O)CBr)CCN1 850581344 CYMLQFSPNQJWRA-LURJTMIESA-N 257.153 -0.038 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](COC)OC 854388306 FUFVOWCLCLCMQY-SECBINFHSA-N 292.332 -0.416 50 20 CBGD CCCC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cc[nH]n1 855359407 QNOLLIRNRIXZAE-JTQLQIEISA-N 293.327 -0.038 50 20 CBGD CCC[C@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858102967 HUWQGTJLBMCTPE-JGVFFNPUSA-N 256.306 -0.216 50 20 CBGD C#C[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(C)(C)C 858463205 WMWKINHKNGVXIS-BDAKNGLRSA-N 280.328 -0.357 50 20 CBGD CC[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(F)F 858497917 KFVSVDYIOARWGN-NTSWFWBYSA-N 278.259 -0.361 50 20 CBGD O=C(/C=C/c1ccco1)NNC(=O)[C@H]1CCC(=O)N1 862448790 HHHSLUACRZHTPC-HYYFJVDXSA-N 263.253 -0.281 50 20 CBGD Cn1nnc2cc(C=NNC(=O)[C@@H]3CCC(=O)N3)ccc21 863148520 DIWDHDSVQPYDTD-VIFPVBQESA-N 286.295 -0.303 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CCC1CCC1 863463089 QQEHEKFTIFAIQH-UHFFFAOYSA-N 262.331 -0.241 50 20 CBGD CC[C@H](SC)C(=O)NNC(=O)CS(C)(=O)=O 863464676 SCEVPGLHWMSSIF-LURJTMIESA-N 268.360 -0.680 50 20 CBGD COCCOCC(=O)NNC(=O)C1(OC)CCC1 869907190 DRWFQMZZXKTJRR-UHFFFAOYSA-N 260.290 -0.634 50 20 CBGD COCCOCC(=O)NNC(=O)CCC(C)(C)O 869907270 GRPJGCBOMFYBPA-UHFFFAOYSA-N 262.306 -0.652 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CCSC1 869907940 GUNBGJRSXKITAG-QMMMGPOBSA-N 262.331 -0.450 50 20 CBGD COCCOCC(=O)NN=Cc1nccc(OC)n1 872400512 SUXSULAGUDGSRM-UHFFFAOYSA-N 268.273 -0.402 50 20 CBGD C[C@@H]1COCC1=NNC(=O)[C@H](C)NS(C)(=O)=O 884427203 MCNNGLXQQDGBSA-RQJHMYQMSA-N 263.319 -0.937 50 20 CBGD CC(C)N1CCC[C@@H]1C(=O)NNC(=O)CN(C)C 894134072 HVNKYCULSJOGRS-SNVBAGLBSA-N 256.350 -0.432 50 20 CBGD C[C@]1(C(=O)N2C[C@@H](CO)[C@@H](O)C2)C[C@H]1Br 909885335 UCTZJWQYTSWNKK-OORONAJNSA-N 278.146 -0.029 50 20 CBGD O=C(NNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1cn[nH]c1 916133708 IYPXNXOKTVKNGO-UHFFFAOYSA-N 264.201 -0.279 50 20 CBGD C[C@@H]1COC[C@H]1NC(=O)NNC(=O)[C@H]1CCCCO1 926021063 UTMNUTCVFINKNV-OPRDCNLKSA-N 271.317 -0.079 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccncn1 1116693401 LPFZIODRVZKIQE-UHFFFAOYSA-N 253.262 -0.543 50 20 CBGD O=C(C[C@H]1COC(=O)C1)NNC(=O)c1cc[nH]n1 1118781506 LVGJVXHTRSOECE-ZCFIWIBFSA-N 252.230 -0.876 50 20 CBGD C=CC[C@@H](NCc1ccc(B(O)O)cc1)C(=O)OCC 1118910629 OJZBDWLZHQQGOH-CYBMUJFWSA-N 277.129 -0.036 50 20 CBGD Cn1cnc(C(=O)NNc2nc3ccccc3c(=O)n2C)n1 1261203368 XVTYESIYYKAUIU-UHFFFAOYSA-N 299.294 -0.181 50 20 CBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc[nH]c1 1318431911 QXBFYWUYEVGOMK-QMMMGPOBSA-N 271.298 -0.790 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 1319094571 LWVCQFVTPUBCTP-HTQZYQBOSA-N 284.316 -0.885 50 20 CBGD Cn1c(C(=O)NNC(=O)NC2CC2)cccc1=O 1319504558 KCTOYUACJFADSI-UHFFFAOYSA-N 250.258 -0.508 50 20 CBGD CC[C@@H](NC(=O)NNC(=O)C(=O)OC)C1CCOCC1 1323457091 XHVJAMCIGFUIKS-SECBINFHSA-N 287.316 -0.305 50 20 CBGD CN(C)C(=O)CNC(=O)NNC(=O)Cc1ccncc1 1326014499 BIDYMYLSDPNOBT-UHFFFAOYSA-N 279.300 -0.957 50 20 CBGD COCC(=O)NCCC(=O)NNc1ncc(Cl)cn1 1331416723 XSCSAWCPRFSHQW-UHFFFAOYSA-N 287.707 -0.274 50 20 CBGD C#CCCCC(=O)NNC(=O)CO[C@H]1CCOC1 1333573884 HTBPRUGSERQWHZ-JTQLQIEISA-N 254.286 -0.257 50 20 CBGD C[C@H]1COC[C@@H]1NC(=O)NNC(=O)C1CCNCC1 1338695926 IRWBBHJCJJVSNA-WPRPVWTQSA-N 270.333 -0.649 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccc(C(N)=O)[nH]1 1347979881 ZNLOEZHGKCTNCE-UHFFFAOYSA-N 253.262 -0.580 50 20 CBGD COCC[C@H](N)C(=O)NNc1ccc(C(=O)OC)cn1 1578998427 YGJVOBKRSXHVGP-VIFPVBQESA-N 282.300 -0.325 50 20 CBGD C[C@H](C(=O)O)n1cccc1C=NNC(=O)CCO 1589540205 SDGUUFGZDZRNSP-MRVPVSSYSA-N 253.258 -0.034 50 20 CBGD O=C(NNC(=O)[C@@H]1CC[C@H]1C(=O)O)c1cccnc1 1594783328 ZWTHOFBAVZTQSY-RKDXNWHRSA-N 263.253 -0.047 50 20 CBGD CCCNC(=O)NNC(=O)c1cc(C(=O)O)no1 1595925760 JURGBUMJASVVEP-UHFFFAOYSA-N 256.218 -0.273 50 20 CBGD COC[C@@](C)(O)C(=O)NNc1ccc(C(=O)O)cn1 1599157103 WHYVXDUCLWCJCB-LLVKDONJSA-N 269.257 -0.380 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCC[C@H](C(=O)O)C2)nn1 1600933211 XUTBNRSMCTXLGT-SFYZADRCSA-N 295.299 -0.533 50 20 CBGD CC[C@H](C)N(CC(=O)O)C(=O)c1cccc(B(O)O)c1 1604960516 KXPPZHWUHSILSK-VIFPVBQESA-N 279.101 -0.308 50 20 CBGD N#Cc1ccsc1C(=O)NNC(=O)C(=O)NC1CC1 52034101 TXLFMFIOOLWORU-UHFFFAOYSA-N 278.293 -0.341 50 20 CBGD CCN(C)C(=O)CNS(=O)(=O)CBr 229510775 JMKMCWHPAZIILQ-UHFFFAOYSA-N 273.152 -0.264 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1ccccc1F 264491698 BTPHXFGPCVIPJV-UHFFFAOYSA-N 288.300 -0.440 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](CC)OC 265785380 AASFANNURARYDK-SECBINFHSA-N 273.333 -0.136 50 20 CBGD CCOC(=O)c1cnc(NNC(=O)CO)nc1C 272171513 JRURLJDAECQTJV-UHFFFAOYSA-N 254.246 -0.603 50 20 CBGD Cc1ccc(NC(=O)NNC(=O)CN(C)C)cc1C(N)=O 274168147 IGRFTWMLLTUFBI-UHFFFAOYSA-N 293.327 -0.192 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(C)C2)n1 279799930 LWLVZCALPICJPP-SECBINFHSA-N 276.296 -0.371 50 20 CBGD CCN1CCO[C@H](C(=O)NNc2nccnc2OC)C1 376935768 XLBNDSMXAYXWAQ-VIFPVBQESA-N 281.316 -0.351 50 20 CBGD CCn1cnnc1CNC(=O)c1ccc(B(O)O)c(F)c1 584930024 RHAMEBUBVSVLGC-UHFFFAOYSA-N 292.079 -0.953 50 20 CBGD COCC[C@H](C)NC(=O)c1cccc(B(O)O)c1 584937615 WKOBLKFDHVKEMD-VIFPVBQESA-N 251.091 -0.479 50 20 CBGD CN(C)[C@H]1C[C@@H](CNC(=O)c2ccc(B(O)O)c(F)c2)C1 585004425 DHYCUEHSXKVINJ-JGZJWPJOSA-N 294.135 -0.425 50 20 CBGD C[C@H]1COCCN1CCNCc1ccc(B(O)O)cc1 585032533 IHERUBNLAIQRIC-LBPRGKRZSA-N 278.161 -0.823 50 20 CBGD CC[C@H]1CN(CCNCc2ccc(B(O)O)cc2)CCO1 585038629 IKIIZGHWHYMKDC-HNNXBMFYSA-N 292.188 -0.433 50 20 CBGD Cc1ccccc1S(=O)(=O)NNC(=O)C(=O)NC(C)C 728170763 KMUXOBYIKPAIOW-UHFFFAOYSA-N 299.352 -0.171 50 20 CBGD C[C@H](C(=O)NNC(=O)c1cnn(C)c1)n1cccn1 735444117 CGBGGMUNEYYNHA-MRVPVSSYSA-N 262.273 -0.361 50 20 CBGD CCO[C@@H]1C[C@H]1C(=O)NNC(=O)N1CCOCC1 745985933 DCTAFNYCIRJKMP-RKDXNWHRSA-N 257.290 -0.516 50 20 CBGD Cc1occc1C(=O)NCC(=O)NNC(=O)N(C)C 746519875 NUCDECYJXRYBAC-UHFFFAOYSA-N 268.273 -0.380 50 20 CBGD COc1cc(C)nc(NNC(=O)C(=O)NC2CC2)n1 746631350 XUJHQAAIAMCJNH-UHFFFAOYSA-N 265.273 -0.485 50 20 CBGD O=C(CO)NNC(=O)c1ccnc(-n2cccn2)c1 753444693 OZNSGWBHCXCHDC-UHFFFAOYSA-N 261.241 -0.979 50 20 CBGD CC[C@H](OC)C(=O)NNc1ccc(C(N)=O)nn1 757400161 QGVYRCLRBNSKLO-ZETCQYMHSA-N 253.262 -0.556 50 20 CBGD CO[C@]1(CNC(=O)NNc2cccnn2)CCOC1 763714455 VXHDRDKVMGPTIA-NSHDSACASA-N 267.289 -0.092 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(C)nc1C 764319003 IHQPRWDWXUETPG-UHFFFAOYSA-N 294.311 -0.179 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(Cl)cc1 764422727 YFPNSKUJIXPEFT-UHFFFAOYSA-N 271.660 -0.582 50 20 CBGD CSCc1cccc(NC(=O)C(=O)NNC(=O)CO)c1 764429672 VHEPDGZHFJJTJL-UHFFFAOYSA-N 297.336 -0.372 50 20 CBGD O=C(NN=C1CCN2CCC[C@@H]12)C(=O)NC1CC1 765565049 OZZVWHMHCKMVMK-JTQLQIEISA-N 250.302 -0.395 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)NCc2ccco2)nn1 768482913 JTLIPMUHVFGYOA-UHFFFAOYSA-N 292.255 -0.211 50 20 CBGD C[C@H](C(=O)NNc1cnccn1)N1C(=O)CCC1=O 775281305 QXZJBVDBGQSMND-SSDOTTSWSA-N 263.257 -0.543 50 20 CBGD O=C(CO)NNC(=O)CSCc1ccccn1 777781732 CSTSRFSGCLASFT-UHFFFAOYSA-N 255.299 -0.546 50 20 CBGD CC(=O)Nc1ccc(C(=O)NNC(=O)CO)cc1 777781952 JZZWSELLPNSEKQ-UHFFFAOYSA-N 251.242 -0.602 50 20 CBGD O=C(NNC(=O)c1occ2c1CCC2)C(=O)NC1CC1 794822687 DUVZJKUNGLMSTA-UHFFFAOYSA-N 277.280 -0.192 50 20 CBGD C=CCNC(=S)NNC(=O)c1cnn2c1OCCC2 814207764 XHVLSTSVIJYLRV-UHFFFAOYSA-N 281.341 -0.040 50 20 CBGD CNC(=S)N(C)NC(=O)/C=C1\SCC(=O)N1C 823558673 LWLDXMDAYSZYLZ-YWEYNIOJSA-N 274.371 -0.500 50 20 CBGD O=C(CCOc1ccccc1)NNC(=O)[C@@H]1CC(=O)N1 824701692 DOGNXZBKTHSEIC-JTQLQIEISA-N 277.280 -0.509 50 20 CBGD CO[C@@H]1COC[C@H]1NC(=O)NNC(=O)Cc1ccncc1 827478107 NLWXUQVXSCTRGB-GHMZBOCLSA-N 294.311 -0.632 50 20 CBGD CN1C[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)CC1=O 852189148 XOUKXBDBCINNGX-ZETCQYMHSA-N 295.274 -0.605 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)c1cccc(F)n1 856423263 PLZKINOPEIGRAO-LURJTMIESA-N 284.247 -0.274 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CC23CCC3)N1 862456909 WHBMOZDUAJXUQJ-JGVFFNPUSA-N 251.286 -0.397 50 20 CBGD O=C(/C=C\[C@H]1CCOC1)NNC(=O)c1cn[nH]c1 862470095 ZQOYSMJFMZMIPJ-JQSQLHRZSA-N 250.258 -0.237 50 20 CBGD COc1cc(C(C)=NNC(=O)CS(C)(=O)=O)on1 863186024 LEQOJTRZAHUHTJ-UHFFFAOYSA-N 275.286 -0.432 50 20 CBGD CC1(C)COC(=O)[C@H]1NC(=O)c1ccc(B(O)O)cc1 863882482 IEIPCIZJEJERHR-SNVBAGLBSA-N 277.085 -0.952 50 20 CBGD CNC(=O)[C@@H](O)CNS(=O)(=O)CC(C)(C)CCl 867188187 VCEJSJSDNNYERE-ZETCQYMHSA-N 286.781 -0.722 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H](C)[C@H](C)COC 869904418 YDWOZTOOGZRARH-NXEZZACHSA-N 276.333 -0.285 50 20 CBGD CO[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)CCO1 878966291 JBZGLBNONUWIPA-CYBMUJFWSA-N 293.323 -0.248 50 20 CBGD C[C@@H](O)CN(C)NC(=O)Cn1cnc2sccc2c1=O 910178274 VNQZCBJAIMXKKA-MRVPVSSYSA-N 296.352 -0.198 50 20 CBGD CCNC(=S)NNC(=O)[C@@H](C)CN1CCOCC1 916117963 SLKOGHNOZWRWTH-VIFPVBQESA-N 274.390 -0.530 50 20 CBGD COc1ccc(NNC(=O)CN2C(=O)CNC2=O)cc1 1116183978 STVCDWPATMOYRD-UHFFFAOYSA-N 278.268 -0.310 50 20 CBGD Cc1nnsc1C(=O)NNC(=O)Cc1cc[nH]n1 1116728089 KNPWYMYXKMMHBI-UHFFFAOYSA-N 266.286 -0.427 50 20 CBGD Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NN 1118203458 KBBMIJKQHKLXLY-UHFFFAOYSA-N 280.328 -0.407 50 20 CBGD CS(=O)(=O)N1CCC(C(=O)NNc2ccncn2)CC1 1118778186 MZSRQMIVVQQHFA-UHFFFAOYSA-N 299.356 -0.409 50 20 CBGD COCC(=O)NNC(=O)Nc1ccnn1C[C@@H]1CCOC1 1255198864 BUQHRSKXNZNGQL-VIFPVBQESA-N 297.315 -0.281 50 20 CBGD COC(=O)C(=O)NN[C@@H](C(=O)OC)c1cccc(C#N)c1 1318971542 XKPDMEICFHGOKM-SNVBAGLBSA-N 291.263 -0.434 50 20 CBGD Cc1nc[nH]c1C=NNC(=O)N[C@H]1CCS(=O)(=O)C1 1319491692 WIZOGGCBBOWZJR-QMMMGPOBSA-N 285.329 -0.462 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CCc2cnn(C)c2C1 1325129025 PDLYUGRJXIAUPN-MRVPVSSYSA-N 265.317 -0.173 50 20 CBGD CN(C)N(C(=O)[C@H]1CCC(=O)C1)[C@H]1CCS(=O)(=O)C1 1326343039 NLOILOIQZCUMRT-UWVGGRQHSA-N 288.369 -0.152 50 20 CBGD C[C@]1(CCCC(=O)NNC(=O)CC2CC2)NC(=O)NC1=O 1326393626 LLQNDPUNRLHQQQ-CYBMUJFWSA-N 296.327 -0.298 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCCN1C=O 1328230889 NICIIYCLHGRPRD-VIFPVBQESA-N 265.273 -0.900 50 20 CBGD CC(C)C(=O)NNC(=O)C(=O)Nc1cnn(CCF)c1 1329015160 VLCQYWXSKVDGNE-UHFFFAOYSA-N 285.279 -0.406 50 20 CBGD CN(C)CCn1cc(C(=O)N2CC[C@@H](B(O)O)C2)cn1 1329214851 LFBKTLBATSDZFB-LLVKDONJSA-N 280.137 -0.866 50 20 CBGD CCNC(=O)NNC(=O)CCn1cnc2c(N)ncnc21 1330787467 RQHZZISSJMRFHN-UHFFFAOYSA-N 292.303 -0.851 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccncc2F)N1 1331795391 QZWVWCKGOUTUCG-MRVPVSSYSA-N 266.232 -0.740 50 20 CBGD C=CCNC(=S)NNC(=O)c1cn(C)c(=O)n1C 1333084975 FRXQWXAGEBPVAV-UHFFFAOYSA-N 269.330 -0.981 50 20 CBGD O=C(NN=Cc1cnc2n1CCOC2)c1cn[nH]c1 1333218433 IIEDKPKMJKDSSR-UHFFFAOYSA-N 260.257 -0.100 50 20 CBGD O=C(C[C@@H]1CC(=O)N1)NNC(=O)NCc1ccco1 1333884801 JPWNKHCUXSRMEW-ZETCQYMHSA-N 266.257 -0.611 50 20 CBGD COC/C(C)=C/C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1349499766 ZYFOQXBRBXDYIN-WHXYTISESA-N 290.341 -0.839 50 20 CBGD C[C@H]1C[C@@H](C(=O)NNC(=O)CN2CCCC2=O)CCC1=O 1354111920 VHBUCIMPQNKRIF-UWVGGRQHSA-N 295.339 -0.239 50 20 CBGD Cc1nc2c(C(=O)NNC(=O)[C@H]3CCN3)ccnc2[nH]1 1579868250 BFULIFXTMSQQQU-MRVPVSSYSA-N 274.284 -0.611 50 20 CBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=O)OCC(F)(F)F 1593926577 KDJYWYCPZFDBLL-SSDOTTSWSA-N 288.178 -0.204 50 20 CBGD C[C@@H]1Cc2cc(CNC(=O)NNC(=O)C(=O)O)ccc2O1 1594614629 BINBAVPQTQFITA-SSDOTTSWSA-N 293.279 -0.075 50 20 CBGD O=C(C[C@H]1CC(=O)N1)NNc1cccc(-c2nn[nH]n2)c1 1606494404 IDAPBUDYPSQPKQ-SECBINFHSA-N 287.283 -0.412 50 20 CBGD CC(=O)NCC(=O)NNC(=O)Cn1ccc2ccccc21 104942177 OOCFDDWZYGEMLU-UHFFFAOYSA-N 288.307 -0.075 50 20 CBGD CN1C[C@@H](NC(=O)NNc2cncc(Cl)n2)CC1=O 267614976 KMGULMOPVAMRGM-LURJTMIESA-N 284.707 -0.013 50 20 CBGD CC1(C(=O)NNC(=O)COc2ccccc2O)COC1 273100566 UJWPINIBXMVXBL-UHFFFAOYSA-N 280.280 -0.045 50 20 CBGD COc1nccnc1NNC(=O)[C@H](C)CS(C)(=O)=O 274015986 AWDNHDCDCOWIFA-SSDOTTSWSA-N 288.329 -0.391 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 294062810 ZZMWAQIKMUSVBP-CBAPKCEASA-N 257.290 -0.820 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)c2ccc[nH]2)C1 362997850 OVPPTZSWWONIQB-JTQLQIEISA-N 266.301 -0.504 50 20 CBGD N#C/C(=C/c1ccc(O)cc1)C(=O)NCC(=O)NCCO 491046834 HNXPPVLKOHTGIL-XFFZJAGNSA-N 289.291 -0.476 50 20 CBGD O=C(COc1ccc(B(O)O)cc1)NC1CCCC1 584909837 RDOUJDJVIJEBAC-UHFFFAOYSA-N 263.102 -0.196 50 20 CBGD C[C@@H](O)C[C@@H](C)CNC(=O)c1cccc(B(O)O)c1 584950400 LZUAOHIFCDXZII-NXEZZACHSA-N 265.118 -0.497 50 20 CBGD N#C[C@H]1CCC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584956590 DKMCGNXJVXDSJL-BXKDBHETSA-N 276.076 -0.072 50 20 CBGD Cn1cc(CCCNCc2ccc(B(O)O)cc2F)cn1 585020557 AVPQHNCAFMYEOF-UHFFFAOYSA-N 291.135 -0.039 50 20 CBGD OB(O)c1ccc(CNCC[C@]2(O)CCCOC2)c(F)c1 585045452 HYVYIFVYVRTYKU-CQSZACIVSA-N 297.135 -0.473 50 20 CBGD CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](B(O)O)C1 585065245 WHVRLHCTZUIKEF-MNOVXSKESA-N 297.164 -0.356 50 20 CBGD C[C@H](C#N)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 736667781 QREOTOJIXRNIMT-MRVPVSSYSA-N 299.290 -0.146 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H]1CO 744391161 QTHUGVXTYTVZGY-SECBINFHSA-N 257.334 -0.363 50 20 CBGD CC(=O)N1CC[C@](C)(C(=O)NNC(=O)NC2CC2)C1 746838208 CROSFKHECIPSDF-LBPRGKRZSA-N 268.317 -0.262 50 20 CBGD CC(C)C(=O)NNS(=O)(=O)c1c[nH]c(C(=O)O)c1 751262472 FJQFWMBOBBALNC-UHFFFAOYSA-N 275.286 -0.322 50 20 CBGD CCNC(=O)c1ccc(NC(=O)NNC(=O)CO)cc1 755940582 AEHLOEMLJYWAJW-UHFFFAOYSA-N 280.284 -0.419 50 20 CBGD C#CCNC(=S)NNC(=O)Cc1cc(C)[nH]n1 758189855 DRKJZHIFSCPTFO-UHFFFAOYSA-N 251.315 -0.611 50 20 CBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)N(C)C 761150609 RNYRXKMAULCPII-UHFFFAOYSA-N 280.350 -0.992 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[S@](=O)C[C@H](C)C1 763876246 JDEOQQVTVMHOCS-QGRDJGHBSA-N 289.401 -0.367 50 20 CBGD COc1nccnc1NNC(=O)c1cnc(C)nc1N 764481512 HMGRDSUPWNQSSD-UHFFFAOYSA-N 275.272 -0.077 50 20 CBGD Cc1sc(=O)n(CC(=O)NNC(=O)C(C)(C)O)c1C 768248054 UOLZXMWJFGPNFI-UHFFFAOYSA-N 287.341 -0.555 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cn1ccccc1=O 771950390 YBHDXVFEVPRHAA-SECBINFHSA-N 295.295 -0.663 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(CC)C1 771989400 HZKYLVAFZKMOJC-DTWKUNHWSA-N 299.327 -0.656 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CCCCS1(=O)=O 773701441 HEDYMZVSXYJYMX-MRVPVSSYSA-N 277.346 -0.354 50 20 CBGD CC[C@@H]1C(=O)N(CC)CCN1CC(=O)NNC(=O)C1CC1 778418374 MKFVOOIUFFSXPG-LLVKDONJSA-N 296.371 -0.514 50 20 CBGD CN1CCN(c2ncc(C=NNC(=O)C(F)F)cn2)CC1 782235435 QHTCCKYYTVDMMD-UHFFFAOYSA-N 298.297 -0.056 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCc2nccn2C1 786917601 IYINKSYYARMROM-VIFPVBQESA-N 288.311 -0.062 50 20 CBGD NC(=O)C(=O)NN=Cc1nccn1-c1ccccc1 790143119 XMTNAZXFSPPJMG-UHFFFAOYSA-N 257.253 -0.192 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1CCCC(=O)N1 799582324 JWENSBUOIXYVDU-MRVPVSSYSA-N 272.305 -0.978 50 20 CBGD CC(=NNC(=O)C(N)=O)c1cccc(N2CCOCC2)c1 812378377 HUOMOJIAAXVRBF-UHFFFAOYSA-N 290.323 -0.151 50 20 CBGD CN(C)CCN1C[C@H](C(=O)NN(C)C2CC2)CC1=O 819648056 WNLDKLXCFYVWCW-SNVBAGLBSA-N 268.361 -0.478 50 20 CBGD COCC(=O)N[C@H](C(=O)NN(C)[C@H](C)CO)C(C)C 823950308 BJFGTKIKRCIHEV-KOLCDFICSA-N 275.349 -0.883 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cnc2sccn2c1=O 823983239 OAKJHRODJZREBG-SSDOTTSWSA-N 282.325 -0.287 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC([C@@H](C)N)CC1 843348894 WPHUVSZOKQKLOI-ZJUUUORDSA-N 270.377 -0.009 50 20 CBGD NCC[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 843378234 LBJINPKGTRFBHO-JTQLQIEISA-N 268.361 -0.395 50 20 CBGD C[C@@H]1[C@H](C(=O)NNC(=O)N2CCOCC2)CCN1C 843778241 DFPMOQHMCYCAHB-NXEZZACHSA-N 270.333 -0.600 50 20 CBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1cc(Cl)nc(N)n1 847707620 YMIVPOZKYTYXTQ-RFZPGFLSSA-N 284.707 -0.333 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cccc(F)n1)N(C)C 856422752 CSUHHHZVRWCCPF-ZETCQYMHSA-N 254.265 -0.068 50 20 CBGD C[C@H](NNC(=O)CN(C)S(C)(=O)=O)C(F)(F)F 862306422 AAKVGJYZRRDFBZ-YFKPBYRVSA-N 277.268 -0.551 50 20 CBGD C[C@H](NNC(=O)[C@@H](C)NS(C)(=O)=O)C(F)(F)F 862314103 VFPOFINNRIIORQ-UHNVWZDZSA-N 277.268 -0.504 50 20 CBGD Cc1cscc1C(=O)NNC(=O)CS(C)(=O)=O 863462355 CVYUPWJUNHVSNO-UHFFFAOYSA-N 276.339 -0.138 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC(OCC(F)F)C1 863877175 VBRGQSLGSQLISB-UHFFFAOYSA-N 285.055 -0.528 50 20 CBGD CC[C@H](C)N(CC(=O)OC)C(=O)c1cccc(B(O)O)c1 863882065 XBKXGGLFSUOEBR-JTQLQIEISA-N 293.128 -0.220 50 20 CBGD COCCOCC(=O)NNC(=O)[C@](C)(O)C(C)C 869907162 DBTAKDGSDQLMSE-LLVKDONJSA-N 262.306 -0.796 50 20 CBGD C[C@H](NCc1ccccc1B(O)O)[C@@H](O)C(F)(F)F 877693895 TYPLAXCHJIMDFT-OIBJUYFYSA-N 277.051 -0.232 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@]1(O)CCSC1 887147123 YNZOBGVGLSJTSS-LLVKDONJSA-N 256.327 -0.195 50 20 CBGD C#CCCCC(=O)NNS(=O)(=O)c1c(C)cnn1C 901965833 ZHXOEKMHPXTYFW-UHFFFAOYSA-N 284.341 -0.158 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 910170308 JPBQTQQAZJFMGS-FXQIFTODSA-N 297.277 -0.213 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCN(C)C[C@@H]1CO 912740689 AWDWCIRBFDMIPV-PBQZMEPESA-N 253.302 -0.435 50 20 CBGD CC(C)C(=O)NNC(=O)CS(=O)(=O)C(C)C 917917892 UXHCAENRMIVAOH-UHFFFAOYSA-N 250.320 -0.387 50 20 CBGD C[C@@H]1NC[C@@H](C)N(CC(=O)NNC(=O)C2CC2)[C@@H]1C 923435357 GWZISCBGMOFAQT-KXUCPTDWSA-N 268.361 -0.386 50 20 CBGD Cc1cc(C(=O)NNC(=O)Cc2cc[nH]n2)cc(O)n1 1116581905 SZBKFXIYMLTZSB-UHFFFAOYSA-N 275.268 -0.178 50 20 CBGD NNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1118482796 RFCNSKLICNLJDC-UHFFFAOYSA-N 298.368 -0.406 50 20 CBGD CCN(CC(=O)NNC(=O)C1CC1)[C@H](C)C(=O)O 1118507409 WBSHAVGQJOTYDW-SSDOTTSWSA-N 257.290 -0.661 50 20 CBGD CC(C[C@@H]1CCOC1)=NNC(=O)CS(C)(=O)=O 1118894042 XWBYDFJPHJCTED-VIFPVBQESA-N 262.331 -0.050 50 20 CBGD CS(=O)(=O)c1ccccc1C(=O)N1CC[C@H](B(O)O)C1 1261844701 XZCUNSGBEISCNT-VIFPVBQESA-N 297.141 -0.221 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)n[nH]1 1318082596 QIZZMVKDQOTUPE-UHFFFAOYSA-N 265.273 -0.898 50 20 CBGD Cc1ccncc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1319145966 NAZCDTQDWIGTGH-VIFPVBQESA-N 297.336 -0.414 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](C)Cc1ccc(O)cc1 1319298382 BZMLHVZOYPVRGO-MRVPVSSYSA-N 295.295 -0.173 50 20 CBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1nccs1 1320821143 LXLOIFOGNJLIPV-LURJTMIESA-N 289.338 -0.661 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NOC1CCOCC1 1326767020 NIOBNCNYTSONBV-PSASIEDQSA-N 287.316 -0.148 50 20 CBGD COCn1ccc(C(=O)NNC(=O)NC(C)C)n1 1330239080 XPXGTERNLBAOFB-UHFFFAOYSA-N 255.278 -0.161 50 20 CBGD O=C(NNC(=O)N1CC[C@]2(CCOC2)C1)c1cccnn1 1331955184 JYBYPPZYNYJLTO-ZDUSSCGKSA-N 291.311 -0.057 50 20 CBGD Nc1cnnc(NNC(=O)C[C@H]2CNCCO2)c1Cl 1332450858 DZXWPEABZKRLEH-LURJTMIESA-N 286.723 -0.466 50 20 CBGD Nc1ccc2c(N3CC[C@H](B(O)O)C3)ncnc2n1 1335430550 HAKCCKXHUQPXMX-ZETCQYMHSA-N 259.078 -0.340 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](c1nncn1C)C(C)C 1342551071 JOJRRRSUIKGCKH-ZETCQYMHSA-N 298.303 -0.984 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2C[C@H]3CCC[C@H]2C3)N1 1343698697 DHDLOLAQQTZXFX-LPEHRKFASA-N 280.328 -0.120 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2CC=CCC2)N1 1349343865 OCSOHRTXPLLDNP-RKDXNWHRSA-N 266.301 -0.296 50 20 CBGD C[C@@H](C(=O)N1CC[C@@H](B(O)O)C1)c1cnn(C)c1 1351728537 GKXZXOCYNMYOOI-PSASIEDQSA-N 251.095 -0.401 50 20 CBGD O=C(NN=C1CCn2ccnc21)[C@@H]1CN2CCC[C@H]2CO1 1549314226 JXHZTUMXIHEMPW-JQWIXIFHSA-N 289.339 -0.030 50 20 CBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)CCN 1575098531 FXGKSQCFBSIDQP-UHFFFAOYSA-N 272.349 -0.575 50 20 CBGD Cn1cc(C(=O)NNC(=O)C[C@@H](N)C(C)(C)C)nn1 1579953145 KYTMBUIJUKLJRA-MRVPVSSYSA-N 268.321 -0.660 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@]12CCCNC2)c1ncon1 1580733580 YHXQVNTZALWRLU-CPCISQLKSA-N 265.273 -0.780 50 20 CBGD O=C(NNC(=O)c1cccc(-c2nn[nH]n2)n1)c1cn[nH]c1 1593158875 KDGXDPBTXAYORF-UHFFFAOYSA-N 299.254 -0.940 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@H]1CCO[C@H]1C(=O)O 1596864764 WHZGSIVBZHIYGA-XFPDIIEBSA-N 254.242 -0.211 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@H](C)Cn1cccn1 66701105 KLUFDIDAKUJYSY-JTQLQIEISA-N 283.332 -0.114 50 20 CBGD O=C(CN1CCC[C@@H]1C(=O)NC1CC1)NNC(=O)C1CC1 112976626 BDRPNNMVCLVQBQ-LLVKDONJSA-N 294.355 -0.713 50 20 CBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)c1ccc[nH]1 121408965 ZHQSBURGGJYHLW-SSDOTTSWSA-N 253.258 -0.025 50 20 CBGD C=CCNC(=S)NNC(=O)Cn1cc(C2CC2)nn1 122280306 QVUAANOCOHHBHT-UHFFFAOYSA-N 280.357 -0.163 50 20 CBGD CCN(CC)CC(=O)NNC(=O)c1cc(C)n[nH]1 151196876 SARRVCSOXDHBAU-UHFFFAOYSA-N 253.306 -0.179 50 20 CBGD O=C(CCn1ccnn1)NNC(=O)NC1CCCC1 264663817 JMTLIQHHZYVQSJ-UHFFFAOYSA-N 266.305 -0.059 50 20 CBGD CO[C@H](CNC(=O)NNC(=O)C(=O)NC1CC1)C(C)C 266763693 UBMFCYZOQVXSGO-SECBINFHSA-N 286.332 -0.734 50 20 CBGD COC(=O)C[C@H](C)C(=O)NNC(=O)c1cc(C)n[nH]1 268818336 JCRGJNYGRCKLHA-LURJTMIESA-N 268.273 -0.322 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 289392203 RCXSVAWDNIBLGY-JBLDHEPKSA-N 293.323 -0.162 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1OC[C@H]2COCC[C@@H]21 289392205 RCXSVAWDNIBLGY-JFGNBEQYSA-N 293.323 -0.162 50 20 CBGD COCC(=O)NNC(=O)CNc1cccc(OC)c1 298097695 WUMSSAZFXFYQGG-UHFFFAOYSA-N 267.285 -0.099 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1C[C@@]12CCOC2 584911929 ATMPATGVTBETJK-WCQYABFASA-N 261.086 -0.269 50 20 CBGD CCC[C@@H](C#N)NC(=O)c1cc(B(O)O)ccc1F 584937497 VAFZPSGMRXOOSR-VIFPVBQESA-N 264.065 -0.072 50 20 CBGD C[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CC[S@@]1=O 584950961 OEMBEVPZGLMUBE-SQFXPLBJSA-N 299.132 -0.902 50 20 CBGD CC[C@H](O)CCNC(=O)c1ccc(B(O)O)cc1 584959945 MMEPYRIQFIWFBJ-NSHDSACASA-N 251.091 -0.743 50 20 CBGD CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(B(O)O)cc1 584969787 XKGRSUIIENVIRP-NEPJUHHUSA-N 290.128 -0.989 50 20 CBGD C[C@@H](O)[C@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584972144 OCMAORKGSQGTSB-SCZZXKLOSA-N 281.092 -0.652 50 20 CBGD Cn1cc2c(n1)CCC[C@H]2NC(=O)c1ccc(B(O)O)cc1 584987131 IAKHYFQPGRPZHP-CYBMUJFWSA-N 299.139 -0.093 50 20 CBGD CC(C)[C@](C)(CO)NC(=O)c1ccc(B(O)O)c(F)c1 584990271 AFYPDVVHXITZFJ-ZDUSSCGKSA-N 283.108 -0.358 50 20 CBGD O=C(N[C@@H]1C[C@@H]1C(F)F)c1ccc(B(O)O)cc1 585003922 YCSXPAWFLYTZJC-DTWKUNHWSA-N 255.029 -0.250 50 20 CBGD CN1CCC[C@@H]1CCNC(=O)c1ccc(B(O)O)cc1 585008427 VNFUXOYUKYMAAV-CYBMUJFWSA-N 276.145 -0.420 50 20 CBGD O=C1CC[C@@H](CCNCc2cccc(B(O)O)c2)N1 585039994 DBPAIPLNACHZEW-LBPRGKRZSA-N 262.118 -0.875 50 20 CBGD CC(C)[C@@H](NCc1ccccc1B(O)O)c1nncn1C 585040265 HPYIDHJKOWMNRH-CYBMUJFWSA-N 288.160 -0.018 50 20 CBGD O=C(c1ccc(-n2ccnn2)cc1)N1CC[C@H](B(O)O)C1 585066882 SDRFSXKYBKVKAY-NSHDSACASA-N 286.100 -0.044 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)CS(C)(=O)=O 728606074 BODZLZDQNXXKQO-UHFFFAOYSA-N 250.320 -0.385 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CCCN(C(=O)O)C1 737160896 ANIARMJSCHCNHY-QMMMGPOBSA-N 288.304 -0.504 50 20 CBGD Cc1cc(C(=O)NNC(=O)N2CCOCC2)n(C)n1 745996401 WEUFRMMJKHMNCF-UHFFFAOYSA-N 267.289 -0.585 50 20 CBGD Cc1cc(OCC(=O)NNC(=O)C(=O)N2CCCC2)no1 748246727 GJMCSIGFFZGPHS-UHFFFAOYSA-N 296.283 -0.868 50 20 CBGD C#CCOCCNC(=O)NNC(=O)c1ccccc1O 753380630 DFXDSTFEPVBXAG-UHFFFAOYSA-N 277.280 -0.014 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1coc(C(N)=O)c1 758998103 WXRQLZRKPIBPBK-UHFFFAOYSA-N 276.252 -0.208 50 20 CBGD O=C(NNc1nccc(N2CCOCC2)n1)[C@H]1CCOC1 762867015 UDPKXNHPQYVZQF-JTQLQIEISA-N 293.327 -0.207 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@]12CCOC2)C(=O)N1CCCC1 763758295 QWZVNOHNKPQMKU-RNCFNFMXSA-N 281.312 -0.817 50 20 CBGD CCC(=O)NNC(=O)CNC(=O)c1cccnc1 764344770 JJEZHTHYQZJWFT-UHFFFAOYSA-N 250.258 -0.631 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2c([N+](=O)[O-])cnn2C)n[nH]1 767121130 YXCUHWOBLKJXES-UHFFFAOYSA-N 293.243 -0.565 50 20 CBGD CCCn1cc(NC(=O)C(=O)NN(C)C(=O)NCC)cn1 784916475 PVWOEQCDFYLFIY-UHFFFAOYSA-N 296.331 -0.076 50 20 CBGD O=C(CO)NNC(=O)c1ccc(O[C@H]2CCOC2)cc1 790918777 CUHKFOFJFZLHCR-NSHDSACASA-N 280.280 -0.392 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)c1cnnn1C 798406828 ZBJJSTZRHLCMNA-UHFFFAOYSA-N 289.295 -0.173 50 20 CBGD CO[C@@H](C(=O)NNC(=O)NC1CC1)c1cnn(C)c1 798930980 FPCJQUWBDHPCLM-SECBINFHSA-N 267.289 -0.400 50 20 CBGD COCC(=O)NNC(=O)N=c1ccnc2n(C)[nH]cc1-2 806484141 DCKXBBDQKREJJO-UHFFFAOYSA-N 278.272 -0.859 50 20 CBGD CN(C)CC(=O)NNC(=O)COCc1ccccn1 806770908 FEISBJYRNBYIOL-UHFFFAOYSA-N 266.301 -0.693 50 20 CBGD CO[C@H]1CCC[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)C1 814379682 VGVPRVKJBUJUKS-ZJUUUORDSA-N 285.344 -0.136 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCOC1(C)C 814835536 UOSSIVDPWKTCHZ-SSDOTTSWSA-N 277.346 -0.405 50 20 CBGD O=C(C[C@@H]1CCC(=O)N1)NNC(=O)C1CCCC1 821754404 BVTNWGDATFMNLZ-VIFPVBQESA-N 253.302 -0.007 50 20 CBGD CCN(CCO)NC(=O)c1ccc(C(=O)OC)cn1 823841253 GAAGYYWFVORCLX-UHFFFAOYSA-N 267.285 -0.173 50 20 CBGD O=C1C[C@@H](C(=O)NNC(=O)c2cccc(OC(F)F)c2)N1 826011255 CWXHNLLOPPZHSU-QMMMGPOBSA-N 299.233 -0.063 50 20 CBGD COC[C@@]1(C(=O)NNc2ncccn2)CCNC1 826726413 QEHHIYKLFBHJNJ-LLVKDONJSA-N 251.290 -0.454 50 20 CBGD C[C@@H](C#N)N(CC(=O)NNC(=O)C1CC1)C1CC1 852481525 NAKYPZNOMICDQL-QMMMGPOBSA-N 250.302 -0.080 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)NCCOCCF 852715096 XPZWODLCIFBIBX-UHFFFAOYSA-N 285.279 -0.175 50 20 CBGD C=C[C@H](O)C(=O)NN(C)C(=S)NCCCOC 854285855 QSRVDOOFJONERZ-QMMMGPOBSA-N 261.347 -0.593 50 20 CBGD C[C@@H](NC(=S)NNC(=O)Cn1cnc(C#N)n1)C1CC1 855098974 PDIIOTUAIVKTEI-SSDOTTSWSA-N 293.356 -0.556 50 20 CBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)CNc1ccccc1 856772913 KHHSWDKNSKVBCI-GHMZBOCLSA-N 290.323 -0.243 50 20 CBGD C[C@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C[C@@H](C)N1C 858700475 MNQFTUMBWMBEEU-KXUCPTDWSA-N 297.359 -0.970 50 20 CBGD Cc1ccc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1O 862461842 RZNQDEUNLAKNCO-SNVBAGLBSA-N 291.307 -0.331 50 20 CBGD CCOC(=O)CN(CC)C(=O)c1cc(B(O)O)ccc1F 863872362 FFPFBVVCEDRSDG-UHFFFAOYSA-N 297.091 -0.469 50 20 CBGD O=C(NCCOCC(F)F)c1ccc(B(O)O)cc1 863880388 XOXUNZBNLWYKMN-UHFFFAOYSA-N 273.044 -0.622 50 20 CBGD CCOC(CCNC(=O)c1ccc(B(O)O)cc1)OCC 863880389 XQZOWPPRZXYJBZ-UHFFFAOYSA-N 295.144 -0.115 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 906418105 SIAALZZHDLBECR-FXBDTBDDSA-N 269.301 -0.422 50 20 CBGD CCO/C=C(\C#N)C(=O)N1[C@@H](CO)CC[C@@H]1CO 912234702 RHKAIFZNYFJOAC-WUNNSPOASA-N 254.286 -0.225 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 913729315 MFWABNCXAVRQKL-OUJBWJOFSA-N 295.339 -0.429 50 20 CBGD CCO[C@H](C(=O)NNC(=O)CN1CCCC1=O)C1CC1 913734106 IBSNCNLXMDFLMT-LBPRGKRZSA-N 283.328 -0.429 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cnco1 1116395166 WNLPOCNIGPWNFK-UHFFFAOYSA-N 268.273 -0.260 50 20 CBGD O=C(NNc1nc2ccccn2n1)C(=O)NC1CC1 1116764657 DJSUQWZAZFUSLY-UHFFFAOYSA-N 260.257 -0.549 50 20 CBGD COCCOCC(=O)NNC(=O)C1=CCOCC1 1119046164 ZWXWZRBLJGUECE-UHFFFAOYSA-N 258.274 -0.857 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NNC(=O)c1cccnn1 1119665036 LOQXSSFADXULKW-JTQLQIEISA-N 293.327 -0.794 50 20 CBGD O=C(NNC(=O)C(=O)N1CCCC1)Nc1cccnc1 1318082020 MLELJMNDOHPLHF-UHFFFAOYSA-N 277.284 -0.143 50 20 CBGD COCCO[C@H](C)C(=O)NN=Cc1cnnn1C 1318968068 HOOVXEARBURDGG-MRVPVSSYSA-N 255.278 -0.683 50 20 CBGD CC(C)(C)C(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1319260993 PSFUGHPDGWDJLS-SSDOTTSWSA-N 290.341 -0.816 50 20 CBGD NC(=O)c1cccc(C(=O)NNc2ncccn2)n1 1320243084 VSKMKCRAOVQCLL-UHFFFAOYSA-N 258.241 -0.273 50 20 CBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)CC(F)(F)F 1322254852 JXYMQBLLDAFWOE-YFKPBYRVSA-N 290.263 -0.233 50 20 CBGD Cc1cc(F)ccc1NC(=O)C(=O)NNC(=O)CCO 1323944220 UZCKQYXTWRAUKR-UHFFFAOYSA-N 283.259 -0.398 50 20 CBGD CN(C)[C@@H](C(=O)NNc1ncccn1)c1cncn1C 1326974187 YTRAYYQJXXFODO-SNVBAGLBSA-N 275.316 -0.044 50 20 CBGD Cc1cc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)nnc1C 1331523062 BYTKDSDJLGJZEB-QMMMGPOBSA-N 292.299 -0.475 50 20 CBGD O=C(NCC1CC1)C(=O)NNC(=O)c1cccc(F)n1 1351110628 DCJZMSGIKPOERS-UHFFFAOYSA-N 280.259 -0.492 50 20 CBGD C[C@H](N)C1(C(=O)NNC(=O)NCC2CC2)CCOCC1 1576109527 TXMPZIIWLKLCBB-VIFPVBQESA-N 284.360 -0.129 50 20 CBGD CC(=NNC(=O)C(=O)O)C1CCS(=O)(=O)CC1 1589010798 IVQOVDCFWJWBIA-UHFFFAOYSA-N 262.287 -0.612 50 20 CBGD C[C@H](CNC(=O)NNC(=O)c1cnsn1)C(=O)O 1589055847 CXLMDPGZZMJTNR-SCSAIBSYSA-N 273.274 -0.797 50 20 CBGD O=C(Cc1ccc(-c2nn[nH]n2)nc1)NNc1ncccn1 1592913971 LLUNXFVTDDZVKA-UHFFFAOYSA-N 297.282 -0.263 50 20 CBGD O=C(O)c1ccc(NC(=O)c2cccc(B(O)O)c2)nc1 1595237207 VWQQPQPKFSQBOW-UHFFFAOYSA-N 286.052 -0.288 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C(=O)O)C1CCOCC1 1609766975 BRODPUJKQZWWKT-ZCFIWIBFSA-N 259.262 -0.784 50 20 CBGD CN(C)S(=O)(=O)/C(C#N)=C/c1cc(C(=O)O)nn1C 1777033798 SYDMCRIRYZZRNY-XBXARRHUSA-N 284.297 -0.126 50 20 CBGD CN(C)CC(=O)NNc1nc2ccccc2c(=O)n1C 113437667 CPCFABYHSQQVFV-UHFFFAOYSA-N 275.312 -0.062 50 20 CBGD C[C@H](N)C(=O)NNc1nc2ccccc2c(=O)n1C 151543374 OFWCGXZIGIYYDP-ZETCQYMHSA-N 261.285 -0.276 50 20 CBGD O=C(CN1C(=O)CNC1=O)NNc1ccccc1F 153091822 ZHSMTQJGBWKHMD-UHFFFAOYSA-N 266.232 -0.179 50 20 CBGD CN(NC(=O)CCOc1ccc(C(N)=O)cc1)C(N)=O 272255103 ZYQCFAOYDKEMNJ-UHFFFAOYSA-N 280.284 -0.404 50 20 CBGD CC(=O)N[C@H](C(=O)NNC(=O)N(C)C)C1CCCC1 299379903 NLAKZPFADNISCF-JTQLQIEISA-N 270.333 -0.016 50 20 CBGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@H]1CCOC1 299698631 UODNEEJFKUGVGW-QMMMGPOBSA-N 297.336 -0.338 50 20 CBGD COC(=O)NCC(=O)NNc1ccnc(N(C)C)n1 491417378 KIGNILYUCNACNY-UHFFFAOYSA-N 268.277 -0.658 50 20 CBGD CCN(CC)CC(=O)Nc1cccc(B(O)O)c1 584909481 DTIBZYASKFSXLR-UHFFFAOYSA-N 250.107 -0.353 50 20 CBGD CC(C)CC(=O)NCCC(=O)Nc1cccc(B(O)O)c1 584913505 YHYILABBTMQRQM-UHFFFAOYSA-N 292.144 -0.143 50 20 CBGD CN(C)[C@H](CNC(=O)c1cc(B(O)O)ccc1F)C1CC1 584932478 MIBHVGXBMJYXEX-CYBMUJFWSA-N 294.135 -0.425 50 20 CBGD CC(C)(C)[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)C(N)=O 584941403 JNGMCFYZQNGJBE-JTQLQIEISA-N 296.107 -0.865 50 20 CBGD C[C@H]1OCCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1C 584962065 AEHGKUWSZPLDOK-NXEZZACHSA-N 263.102 -0.384 50 20 CBGD O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc(B(O)O)c1 584963771 YACJVHCNGFNVPZ-JOYOIKCWSA-N 261.086 -0.967 50 20 CBGD C[C@@](O)(CNC(=O)c1cccc(B(O)O)c1)C(F)(F)F 584968209 UQIPDKNCJZUVTJ-SNVBAGLBSA-N 291.034 -0.591 50 20 CBGD CC(C)[C@H](NC(=O)c1cccc(B(O)O)c1)C(C)(C)O 584981060 RRERXEYMOANWLU-LBPRGKRZSA-N 279.145 -0.108 50 20 CBGD O=C(N[C@@H](CO)C1CCCC1)c1cccc(B(O)O)c1 584991018 RGOMAAPLEKUTBN-ZDUSSCGKSA-N 277.129 -0.353 50 20 CBGD C[C@](O)(CNCc1ccc(B(O)O)cc1F)C(F)(F)F 585032628 XJOSARVXDPCKBR-JTQLQIEISA-N 295.041 -0.092 50 20 CBGD CCO[C@@H]1C[C@H]1NCc1ccc(B(O)O)cc1F 585038675 KEZCZTHLVMSFJY-VXGBXAGGSA-N 253.082 -0.228 50 20 CBGD C=C[C@@H]1OCCC[C@H]1NCc1ccc(B(O)O)o1 585044437 IMXSVAWYNONYGP-MNOVXSKESA-N 251.091 -0.217 50 20 CBGD OC[C@H](NCc1ccccc1B(O)O)[C@H]1CCCOC1 585046144 NZTUMKUGIXATIW-JSGCOSHPSA-N 279.145 -0.757 50 20 CBGD O=C(NCB(O)O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 585059272 HEVUWNWJMJKTGJ-WDEREUQCSA-N 282.149 -0.457 50 20 CBGD O=C(NCB(O)O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 585061336 VYYAIGRZWGYBSU-SSDOTTSWSA-N 298.054 -0.554 50 20 CBGD Cc1noc(Cl)c1CCC(=O)NNC(=O)CO 753445702 SWVUHFCVOHKZFB-UHFFFAOYSA-N 261.665 -0.291 50 20 CBGD O=C(Cn1ccc([N+](=O)[O-])n1)NNc1ncc(F)cn1 760921435 ZSTWNFXJGMOWNA-UHFFFAOYSA-N 281.207 -0.136 50 20 CBGD CCCn1cc(C(=O)NNC(=O)c2cc(C)[nH]n2)nn1 766564321 PTDRKXKTXUBODA-UHFFFAOYSA-N 277.288 -0.206 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1=COCC1 772136205 QCXBNODVTZDISK-SSDOTTSWSA-N 256.258 -0.220 50 20 CBGD CCC(=O)N1CC[C@@H](C(=O)NNC(=O)C2CC2)C1 773050044 PFKAPJMZWOMQRX-SECBINFHSA-N 253.302 -0.198 50 20 CBGD C[C@H]1CCN(S(=O)(=O)NNC(=O)C2CCC2)C1 777931914 AIBLDMYXYVXVTE-QMMMGPOBSA-N 261.347 -0.006 50 20 CBGD CCn1cc(CC(=O)NNC(=O)Cc2cc[nH]n2)cn1 780622725 WPESSZIEPOYFLA-UHFFFAOYSA-N 276.300 -0.441 50 20 CBGD COC(=O)[C@@H]1CCCCCN1CC(=O)NNC(=O)C1CC1 781347419 RETJCESBKVWCFP-NSHDSACASA-N 297.355 -0.039 50 20 CBGD Cn1cncc1C(=O)NNC(=O)Cc1cccnc1 809666279 SMJFUGQZUUPPHT-UHFFFAOYSA-N 259.269 -0.181 50 20 CBGD O=C(CNC(=O)c1ccncc1)NNC(=O)CC1CC1 819104364 JZUAQVIMYCIOAZ-UHFFFAOYSA-N 276.296 -0.241 50 20 CBGD Cc1nn(C)cc1C1=NO[C@H](C(=O)NN(C)[C@H](C)CO)C1 823384305 HYVYUBDFPZWHCA-PELKAZGASA-N 295.343 -0.435 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCn1cncn1 825685973 AVCZQLXPTYHBCW-ZJUUUORDSA-N 296.331 -0.576 50 20 CBGD Cc1noc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1 831620365 ANDSPIWTDSXXNI-CAHLUQPWSA-N 269.261 -0.044 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=O)c1cccc(C)n1 834816281 RSZHHTBJINSJQG-SNVBAGLBSA-N 267.285 -0.188 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H](O)c1cnn(C)c1 843971699 RIIUHMNXKDAJHH-HGNGGELXSA-N 282.300 -0.974 50 20 CBGD Cn1nncc1NNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 857269674 DROXKWGLQMLXOJ-OPRDCNLKSA-N 292.343 -0.047 50 20 CBGD CC[C@H](C)CN(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858695019 CIGQTHFEJLNPLG-DTWKUNHWSA-N 270.333 -0.016 50 20 CBGD CC(C)c1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)on1 862456338 XLXNKBKZPQBKSA-ZETCQYMHSA-N 280.284 -0.162 50 20 CBGD O=C(NNC(=O)c1cn(C2CC2)nn1)c1cn[nH]c1 862466802 LGDPRADEMWNOBJ-UHFFFAOYSA-N 261.245 -0.589 50 20 CBGD Cc1ncc2n1CC[C@H](C(=O)NNC(=O)c1cn[nH]c1)C2 862470022 HKCUAXSUGPOHMF-VIFPVBQESA-N 288.311 -0.062 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cn[nH]c2)c(=O)n1 862471205 VHCYRVMDUDMWTJ-UHFFFAOYSA-N 290.283 -0.956 50 20 CBGD COC(=O)C(C)(C)CNCc1ccccc1B(O)O 863889123 RIRGZBBZXUJPLL-UHFFFAOYSA-N 265.118 -0.345 50 20 CBGD C[C@@]1(C(=O)NCCn2ncnn2)C[C@@H]1Br 906993208 AVUYPLKPGKEBCD-POYBYMJQSA-N 274.122 -0.037 50 20 CBGD CN(C)C(=O)CCCC(=O)NNC(=O)CN1CCCC1=O 913730669 DVQBTTGKDUBONC-UHFFFAOYSA-N 298.343 -0.985 50 20 CBGD Cc1onc(N)c1S(=O)(=O)NNC(=O)N(C)C 1118228021 KJRBBTAGGVULJC-UHFFFAOYSA-N 263.279 -0.970 50 20 CBGD CCOCC(=O)NNC(=O)NCc1cncn1C 1119218611 OMHNCTBPHDCKOS-UHFFFAOYSA-N 255.278 -0.713 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H]1Cc2ccccc21 1318943967 ZRCSRCYDWVNSEK-SECBINFHSA-N 277.280 -0.170 50 20 CBGD O=C(NNC(=O)C1CCC1)N[C@@H]1CCCS(=O)(=O)C1 1320143752 YGPVNHWNQNPJPW-SECBINFHSA-N 289.357 -0.306 50 20 CBGD C[C@@H](NNC(=O)C[C@@H]1CC(=O)NC1=O)C(F)(F)F 1333486084 YSZXPLIFAVFLLN-UHNVWZDZSA-N 267.207 -0.389 50 20 CBGD O=C(C[C@H]1CC(=O)N1)NNC(=O)NCc1ccco1 1333884800 JPWNKHCUXSRMEW-SSDOTTSWSA-N 266.257 -0.611 50 20 CBGD CO[C@]1(C(=O)NN(C)C2CC2)CCS(=O)(=O)C1 1338698031 FUVDYOQHIIMJFG-SNVBAGLBSA-N 262.331 -0.685 50 20 CBGD CNC(=O)C1CCN(CC(=O)NNC(=O)C(C)(C)C)CC1 1340795755 WULWZJCQOSIVJU-UHFFFAOYSA-N 298.387 -0.362 50 20 CBGD CNC(=O)NNC(=O)c1c(C)nn(C)c1-n1ccnc1C 1344378282 PIIMYSBWDOYFRG-UHFFFAOYSA-N 291.315 -0.204 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)NCCc2nc[nH]n2)cn1 1349811738 MRZOHRZADNTJNH-ONNFQVAWSA-N 271.284 -0.196 50 20 CBGD O=C(Cc1cccc2ccccc12)NNC(=O)C1(O)CNC1 1574302443 GZLBLCLRLFNYDQ-UHFFFAOYSA-N 299.330 -0.136 50 20 CBGD CS(=O)(=O)CC1(CC(=O)NNC(=O)CCCN)CC1 1579337770 YOBFRAOCSSCQJD-UHFFFAOYSA-N 291.373 -0.912 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cc(C(=O)O)cs1 1589150369 OAPSEHOEXSUPKT-UHFFFAOYSA-N 271.254 -0.448 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cccc(OCC(=O)O)c1 1593692239 VNMWAZUBYRRKGD-UHFFFAOYSA-N 295.295 -0.527 50 20 CBGD O=C(NC1(C(=O)O)CCCC1)c1ccc(B(O)O)cc1 1594719886 NVIJUBHUHFHTGT-UHFFFAOYSA-N 277.085 -0.506 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)NCC2CC2)O[C@H]1C(=O)O 1599875921 JFPVIBIHPQMECB-FTLITQJKSA-N 285.300 -0.395 50 20 CBGD CC(C)C(=O)NNC(=O)c1cc(-c2nn[nH]n2)ccn1 1603198918 ZKKISSMUQQDDDT-UHFFFAOYSA-N 275.272 -0.321 50 20 CBGD CN(C(=O)c1cc(B(O)O)ccc1F)C(C)(C)C(=O)O 1605979552 IKIHYTMMDARNFR-UHFFFAOYSA-N 283.064 -0.559 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@H]2C[C@@]21C(=O)O 1609029273 UGJQMLYIYPKEBC-YGRLFVJLSA-N 289.096 -0.554 50 20 CBGD CCNC(=O)NNC(=O)CNC(=O)CC(C)(C)C 49164114 JZTKSISQFZXKEM-UHFFFAOYSA-N 258.322 -0.111 50 20 CBGD Cc1cnc(C(=O)NNC(=O)c2cnn(C)c2)cn1 117679017 NEDDQEFOHJJOAN-UHFFFAOYSA-N 260.257 -0.407 50 20 CBGD CN(C)CC(=O)NNC(=O)CN1CCCCCCC1=O 172159730 WGZKMEWKHMHCKE-UHFFFAOYSA-N 284.360 -0.512 50 20 CBGD C[C@@H]1CCNC(=O)[C@H]1NC(=O)NNC(=O)C(C)(C)C 193872910 ANQWYMFVNKHTCA-SFYZADRCSA-N 270.333 -0.113 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CN(C)S(C)(=O)=O)o1 267821273 IBAPDTZVCFSMMA-UHFFFAOYSA-N 289.313 -0.760 50 20 CBGD COc1ccc(NC(=O)NNC(=O)CN(C)C)cn1 274189475 LJYWXQUKRKJYAX-UHFFFAOYSA-N 267.289 -0.196 50 20 CBGD O=C(CC1CC1)NNC(=O)Cn1ccc([N+](=O)[O-])n1 294225911 RDIYZIJETOUVRT-UHFFFAOYSA-N 267.245 -0.261 50 20 CBGD COC(=O)NCCC(=O)NNC(=O)Cc1cccnc1 490710954 ZQVBRXLNHZBZNE-UHFFFAOYSA-N 280.284 -0.482 50 20 CBGD COC(=O)NNC(=O)c1cncc(-n2ccnn2)c1 495649450 CNOMWQJMIYUDTH-UHFFFAOYSA-N 262.229 -0.337 50 20 CBGD C[C@H](CNC(=O)c1cc(B(O)O)ccc1F)N(C)C 584935307 GIWSMCAVVYJTQN-MRVPVSSYSA-N 268.097 -0.815 50 20 CBGD COC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584948391 CCISTSZORMNDCK-JTQLQIEISA-N 263.102 -0.525 50 20 CBGD CSC[C@](C)(O)CNC(=O)c1cccc(B(O)O)c1 584951066 UASZMOCAXSJHDO-GFCCVEGCSA-N 283.158 -0.790 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1F)C(=O)N1CCCC1 585040049 YYKAYBHZCPFGSX-JTQLQIEISA-N 294.135 -0.394 50 20 CBGD C[C@@H]1CCC[C@@]1(O)CNCc1ccc(B(O)O)o1 585042985 IWYNORTYGCDLRA-BXKDBHETSA-N 253.107 -0.400 50 20 CBGD CCCN1C[C@H](CNCc2cccc(B(O)O)c2)CC1=O 585047497 DMYIETLEGZRCAS-ZDUSSCGKSA-N 290.172 -0.286 50 20 CBGD O=C(NCB(O)O)[C@@H]1CCCCN1C(=O)c1cccs1 585056379 UDDWRQYLBDQJPJ-VIFPVBQESA-N 296.157 -0.129 50 20 CBGD O=C(COc1ccc(Br)cc1)NCB(O)O 585056889 YUHSAWXTOHSKTF-UHFFFAOYSA-N 287.906 -0.044 50 20 CBGD C[C@@H](CC(=O)NCB(O)O)N1CCc2ccccc21 585062446 IZLUWHIDIRYEMA-JTQLQIEISA-N 262.118 -0.044 50 20 CBGD O=C1CCCCCCN1CC(=O)N1CC[C@@H](B(O)O)C1 585077657 SZUJBMJJMVXOCK-LLVKDONJSA-N 282.149 -0.146 50 20 CBGD COCCOCC(=O)NNC(=O)c1cccc(C#N)c1 728828205 MOEABAILBAZYFH-UHFFFAOYSA-N 277.280 -0.018 50 20 CBGD CCNC(=O)CN(C)[C@@H](C)C(=O)NNC(=O)CC(C)C 732197243 DWRBTUROHDHVMO-JTQLQIEISA-N 286.376 -0.364 50 20 CBGD CCCNC(=O)NNC(=O)[C@H](C)N1CCN(C)CC1 732913071 SLHYTAZPGTUOQZ-JTQLQIEISA-N 271.365 -0.637 50 20 CBGD Cn1cc(C(=O)NNC(=O)NC[C@H]2CCCCO2)cn1 735582864 SKPYSJVNDUQYHS-SNVBAGLBSA-N 281.316 -0.067 50 20 CBGD CC(C)C[C@H](NC(=O)O)C(=O)NNC(=O)c1cnn(C)c1 736415161 ICWZAIOPDXHDHC-VIFPVBQESA-N 297.315 -0.137 50 20 CBGD CS(=O)(=O)N1CCCC[C@H]1C(=O)NNc1cccnn1 736702051 VPISGXWHLRVZDK-VIFPVBQESA-N 299.356 -0.266 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C#Cc1ccccc1 747349549 IPCUJKSLTHQCJI-UHFFFAOYSA-N 273.292 -0.290 50 20 CBGD CC[C@@H](COC)NC(=O)NNC(=O)[C@H](C)OCCOC 748630352 GPDSNILSOXDTPE-UWVGGRQHSA-N 291.348 -0.207 50 20 CBGD O=C(CO)NNC(=O)Nc1cccc(Cn2cncn2)c1 756150452 RLHOBSKINIFLBH-UHFFFAOYSA-N 290.283 -0.529 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1CCC(=O)NC1 764459869 DUAJTOFQSCERAM-SSDOTTSWSA-N 265.273 -0.546 50 20 CBGD COc1nccnc1NNC(=O)Cn1cc([N+](=O)[O-])cn1 764465693 ODJBHJPJBCVBMO-UHFFFAOYSA-N 293.243 -0.267 50 20 CBGD COC1(C(=O)NNC(=O)c2ccc[nH]2)CCOCC1 785723166 OXZPDGORWWMRLG-UHFFFAOYSA-N 267.285 -0.029 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CC1(CS(C)(=O)=O)CC1 787950902 XKYVMXBLEBHRSX-UHFFFAOYSA-N 292.357 -0.880 50 20 CBGD Cn1cc(C(=O)NNC(=O)COCc2ccccn2)cn1 805185436 WFFFKZKTHSRLGL-UHFFFAOYSA-N 289.295 -0.207 50 20 CBGD COC[C@@H](C)[C@H](C)C(=O)NNC(=O)N1CCOCC1 812536361 ZGFAKWCGPKEOOM-ZJUUUORDSA-N 273.333 -0.022 50 20 CBGD O=C(Cn1nnc2ccccc2c1=O)NNc1nc[nH]n1 816631999 PDCJLISFHOEMRW-UHFFFAOYSA-N 286.255 -0.947 50 20 CBGD O=C(NCC1CC1)NNS(=O)(=O)CCOCC1CC1 818049894 XRDDSDQURJZZSX-UHFFFAOYSA-N 291.373 -0.043 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCCOC1 818390670 KPVRDESIMPTHRX-IVZWLZJFSA-N 256.302 -0.015 50 20 CBGD CN(NC(=O)CSCC(=O)NN(C)C1CC1)C1CC1 819647771 RCKGUKUGEQLGPP-UHFFFAOYSA-N 286.401 -0.030 50 20 CBGD C[C@]1(C(=O)NNC(=O)[C@H]2CCCCO2)CCNC1=O 823236882 HVGNMHBDHPZCRX-PELKAZGASA-N 269.301 -0.771 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccnc2c1nnn2C 823924298 YXQYODOAJBGWBP-ZETCQYMHSA-N 264.289 -0.679 50 20 CBGD COC(=O)[C@H]1CCCN(CC(=O)NNC(=O)C(C)C)C1 827654926 GDMKHMCLEZZLDF-JTQLQIEISA-N 285.344 -0.325 50 20 CBGD C=C[C@](C)(O)C(=O)NNC(=O)NCC(F)(F)F 847114980 FEOPHGKFTIWSHM-ZETCQYMHSA-N 255.196 -0.184 50 20 CBGD CCOC(=O)[C@H](CC(=O)NNC(=O)c1cc[nH]n1)C(C)=O 855356582 VBBHIRKSFCERMI-MRVPVSSYSA-N 296.283 -0.671 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cccc(F)n2)CN1 856422313 SAZHXDVGLBLRQY-ZETCQYMHSA-N 280.259 -0.492 50 20 CBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)CNc1ccccc1 856772916 KHHSWDKNSKVBCI-WDEREUQCSA-N 290.323 -0.243 50 20 CBGD COC[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CC1 858311316 FBDUYKQYXFOPBA-BDAKNGLRSA-N 284.316 -0.980 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)ccn1 862458787 JHUJRELHIWDRAA-SECBINFHSA-N 262.269 -0.570 50 20 CBGD N#CCc1cccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)c1 864232981 SWDTXXZEOWHURA-NSHDSACASA-N 294.141 -0.010 50 20 CBGD COC(=O)N(C)NC(=O)NCCN1CCCC1=O 875695953 BOTUNQHPWNIERW-UHFFFAOYSA-N 258.278 -0.479 50 20 CBGD C[C@H]1C[C@H](NC(=O)NNC(=O)C2CCC2)C(=O)O1 896346288 WBOOGQCFSNUHMT-XPUUQOCRSA-N 255.274 -0.179 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCc2nccn2C1 910146105 XUZQHSFSGUHHFQ-ZJUUUORDSA-N 252.318 -0.211 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cc(C(N)=O)cs1 910169723 WEZOIGCQKVFNPQ-ZCFIWIBFSA-N 257.315 -0.196 50 20 CBGD Cc1cc(=NNC(=O)[C@@H]2OCCN(C)C2=O)cc[nH]1 912981217 FUHARLHMVHKSJC-JTQLQIEISA-N 264.285 -0.888 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccc(-n2cncn2)cc1 917208215 FXUJHXACSCDHHA-UHFFFAOYSA-N 272.268 -0.407 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@@]12CCC(=O)N1CCS2 920859634 VJNIKTVOZYIPLV-LBPRGKRZSA-N 298.368 -0.208 50 20 CBGD Cn1ccnc(NNC(=O)c2nccn3ccnc23)c1=O 1116192961 FMMYLKNBRMTWLZ-UHFFFAOYSA-N 285.267 -0.420 50 20 CBGD CNC(=O)c1ccc(C)c(NC(=O)C(=O)NNC(C)=O)c1 1116618356 SUZCTGRFOMLGIH-UHFFFAOYSA-N 292.295 -0.540 50 20 CBGD CSCCNC(=S)NNC(=O)c1ccncn1 1116695223 VFKVYVQARVVUOT-UHFFFAOYSA-N 271.371 -0.052 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccon1 1118182431 CDQKNNVGBGEYAW-CBAPKCEASA-N 268.273 -0.070 50 20 CBGD NC(=O)NCCC(=O)NNC(=O)OCC(F)(F)F 1118790868 ONERFGPPLFEIPF-UHFFFAOYSA-N 272.183 -0.636 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)Cc1cnn(C)c1 1118834811 DQTSKEACSWITRL-SECBINFHSA-N 295.343 -0.729 50 20 CBGD CCn1cc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 1118862982 DLABHBZXDSKUFV-VIFPVBQESA-N 294.315 -0.988 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CCCN(C(N)=O)C1 1317994828 HOYZREXJAPHKFE-SSDOTTSWSA-N 257.294 -0.873 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](C)CC(C)(C)OC 1318883113 TYFBVROOGCRFGO-SSDOTTSWSA-N 275.305 -0.307 50 20 CBGD C[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)CC[S@]1=O 1320759143 BXZHPQCKHPUGST-AYLIAGHASA-N 287.385 -0.613 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CC[C@@H](C)C1 1321079573 IPAPYOBQZJWOEQ-SFYZADRCSA-N 257.290 -0.074 50 20 CBGD Cn1ccc(NNC(=O)Cn2nnc3ccccc3c2=O)n1 1321388587 NMFPKKIZBFLBCI-UHFFFAOYSA-N 299.294 -0.332 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)c1c[nH]nc1C 1321707917 QMZKTHYHBHONAL-LURJTMIESA-N 253.262 -0.996 50 20 CBGD COCCCNC(=O)NNC(=S)NC1CCOCC1 1322405675 ZBGBNRQIKOMRTN-UHFFFAOYSA-N 290.389 -0.120 50 20 CBGD O=C1C[C@@H](C(=O)NNc2ncc(F)cn2)CCN1 1324520068 IQQUGBGNTPZQOR-LURJTMIESA-N 253.237 -0.415 50 20 CBGD COc1ccccc1NC(=O)C(=O)NNC(=O)CCO 1325520400 YJNJQAVYJUCECU-UHFFFAOYSA-N 281.268 -0.837 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccnc(N2CCCC2)n1 1326059085 VXYBXONTZCUHRN-UHFFFAOYSA-N 278.316 -0.007 50 20 CBGD CS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CCC(=O)N1 1329716725 KBGZQQUTHWDAEW-VIFPVBQESA-N 297.336 -0.188 50 20 CBGD CC(=O)NNC(=O)[C@H](C)n1cnc2c(N)ncnc21 1330103300 XBWRHUHZYJFCIK-YFKPBYRVSA-N 263.261 -0.863 50 20 CBGD CCCNC(=O)NNC(=O)c1c(CO)noc1C 1332878718 LLKOJKLHCUGCOL-UHFFFAOYSA-N 256.262 -0.171 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(CC)nn1C 1337975134 VFUCQLSDFKHRTD-UHFFFAOYSA-N 297.315 -0.895 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cnn2ncccc12 1343753031 PNICWFDHVCDJTH-UHFFFAOYSA-N 290.283 -0.985 50 20 CBGD CC(C)(CCC#N)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1352361109 QZMKPDYTEKZLET-VIFPVBQESA-N 295.343 -0.075 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@@]12CCNC2)c1cccc(F)n1 1574333698 HXTYBDTXJNCYDN-ISVAXAHUSA-N 278.287 -0.019 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H](N)CN(C)Cc1ccccc1 1576272037 JMRAVASTDSQPPT-TZMCWYRMSA-N 294.399 -0.211 50 20 CBGD Cc1sc(CN)nc1C(=O)NNC(=O)c1cccnn1 1579934765 QVRVPKBMSGSROR-UHFFFAOYSA-N 292.324 -0.225 50 20 CBGD Cn1ccc(NNC(=O)c2ccc(-c3nn[nH]n3)nc2)n1 1592580367 DCAZFMBCJWUJDH-UHFFFAOYSA-N 285.271 -0.248 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CCO[C@@H](C(=O)O)C1 1596860296 IMMGWHOJYUVIKF-UFGYOYAJSA-N 254.242 -0.258 50 20 CBGD O=C(O)[C@@H](NS(=O)(=O)CCl)C1CCOCC1 1601677775 ODBUAHFEZDDZHZ-ZETCQYMHSA-N 271.722 -0.018 50 20 CBGD CC(C)C(=O)NNC(=O)Cn1cccc(C(=O)O)c1=O 1603706007 JCARZOAXFDRYEE-UHFFFAOYSA-N 281.268 -0.650 50 20 CBGD COC(=O)N(C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1604949541 CBFRGUISABMQIV-UHFFFAOYSA-N 265.233 -0.462 50 20 CBGD COCC(=O)NN=C1CCN(CCC(=O)O)CC1 1606774773 ZAOWVSYICCJNCH-UHFFFAOYSA-N 257.290 -0.325 50 20 CBGD O=C(O)CNC(=O)NN=Cc1cnc2cnccn12 1608754432 DSHVIXLGNIROJC-UHFFFAOYSA-N 262.229 -0.553 50 20 CBGD O=C(NN=Cc1c[nH]c(C(=O)O)c1)c1ccc(O)nn1 1776047957 WHKACBSULBTHSO-UHFFFAOYSA-N 275.224 -0.028 50 20 CBGD C[C@@H]1CN(C)C[C@H](C(=O)NN=C2CC(C(=O)O)C2)O1 1776092529 QNYLYOLONOSVDF-HUWCLSLFSA-N 269.301 -0.328 50 20 CBGD CNC(=O)NNC(=O)[C@H](C)NC(=O)c1cccs1 48949795 CLDDCCFVGULVBK-LURJTMIESA-N 270.314 -0.173 50 20 CBGD CCN(CC(=O)NC)S(=O)(=O)CBr 127022761 OEPOJMHGDUCXHY-UHFFFAOYSA-N 273.152 -0.264 50 20 CBGD COCCNCC(=O)NNc1nc(-c2ccncc2)no1 237207199 AZDORHCANZVTOO-UHFFFAOYSA-N 292.299 -0.189 50 20 CBGD COCCC(=O)NNc1nccc(N2CCOCC2)n1 268571143 HHFGYMAGVQPNIJ-UHFFFAOYSA-N 281.316 -0.207 50 20 CBGD COC(=O)N(C)CC(=O)NNc1nccnc1OC 274058176 IAGHNMMNDYBMEK-UHFFFAOYSA-N 269.261 -0.374 50 20 CBGD NC(=O)CCCC(=O)NNC(=O)NC1CCCC1 278699112 PCKQKUSJHWJLKU-UHFFFAOYSA-N 256.306 -0.085 50 20 CBGD NC(=O)[C@H]1CCC[C@H](C(=O)Nc2cccc(B(O)O)c2)C1 584914407 XCDZPVAEPZIEJA-UWVGGRQHSA-N 290.128 -0.403 50 20 CBGD CN(C)CC(C)(C)CNC(=O)c1ccc(B(O)O)c(F)c1 584925962 VPAPLNXGAZBDDR-UHFFFAOYSA-N 296.151 -0.177 50 20 CBGD C[C@H](O)C(C)(C)NC(=O)c1ccc(B(O)O)c(F)c1 584969229 KJBQCZKWIRPKHQ-ZETCQYMHSA-N 269.081 -0.605 50 20 CBGD C[C@H]1C[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)CCO1 584969536 NAXPGDZLQBLMGY-WPRPVWTQSA-N 281.092 -0.197 50 20 CBGD CO[C@@H](C)[C@@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584991536 ZXEMURSECYCAKG-SFYZADRCSA-N 269.081 -0.341 50 20 CBGD CN1C[C@H](N(C)C(=O)c2cccc(B(O)O)c2)CCC1=O 584991602 DDTNSSPUHNUFNF-GFCCVEGCSA-N 290.128 -0.941 50 20 CBGD Cc1nc2n(n1)C[C@@H](NCc1ccc(B(O)O)cc1)CC2 585020496 ZAHLKEVGKMAACD-ZDUSSCGKSA-N 286.144 -0.629 50 20 CBGD CC(=O)NC1CCC(NCc2cccc(B(O)O)c2)CC1 585021068 ONIVAKLTCFLGES-UHFFFAOYSA-N 290.172 -0.097 50 20 CBGD CSC[C@@](C)(O)CNCc1ccccc1B(O)O 585024728 BIXVCJJCYWDPHJ-LBPRGKRZSA-N 269.175 -0.430 50 20 CBGD CS[C@H](CO)[C@H](C)NCc1ccc(B(O)O)o1 585028545 KWEIJPJGNNBNTK-IONNQARKSA-N 259.136 -0.839 50 20 CBGD C[C@@H](CO[C@@H]1CCOC1)NCc1ccc(B(O)O)cc1 585030924 LFZQKANLTJYMIE-SMDDNHRTSA-N 279.145 -0.350 50 20 CBGD CC(C)C(=O)NCCCNCc1ccc(B(O)O)cc1F 585031234 AZJBOXSXZOMIEW-UHFFFAOYSA-N 296.151 -0.243 50 20 CBGD O=C1C[C@@H](CNCc2ccc(B(O)O)o2)CN1C1CC1 585045225 FOZJHZGTDUEIOG-VIFPVBQESA-N 278.117 -0.940 50 20 CBGD COc1cccc(-c2cc(C(=O)NCB(O)O)n[nH]2)c1 585062071 CKGLKCTXCRCFEY-UHFFFAOYSA-N 275.073 -0.173 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)Cc2cccnc2)nc1 728850231 KTFMPLDNSJAIKT-UHFFFAOYSA-N 299.290 -0.421 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=O)COc1ccccc1O 730781483 ONCKKCANIIHFGN-MRVPVSSYSA-N 295.295 -0.557 50 20 CBGD C=CCNC(=S)NNC(=O)CCCS(C)(=O)=O 731232559 ZJAPBXWAQOYGHB-UHFFFAOYSA-N 279.387 -0.508 50 20 CBGD CCS(=O)(=O)C[C@H](C)NC(=O)NNc1cccnn1 737047968 TXPYUDVEJLLRSD-QMMMGPOBSA-N 287.345 -0.074 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@@H]2C[C@H]2C(=O)O)n1 737383396 DQGQOCVTBIXVOH-RNFRBKRXSA-N 265.273 -0.294 50 20 CBGD O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1cn[nH]c1 738134830 UTDJEBRQASQKPE-UHFFFAOYSA-N 298.266 -0.335 50 20 CBGD Cc1ncsc1C(=O)NNC(=O)[C@H]1C[C@H]1C(=O)O 738893098 XUSNYIDMUOAWMS-NTSWFWBYSA-N 269.282 -0.067 50 20 CBGD COC(=O)c1ccc(C=NNC(=O)CN(C)C)[nH]1 747629981 GWTSIPUNUFPJEP-UHFFFAOYSA-N 252.274 -0.187 50 20 CBGD CNC(=S)NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1 747724937 CBTQBQGQYLRQTJ-OPRDCNLKSA-N 288.417 -0.143 50 20 CBGD C[C@@H]1CN(C)CC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 752163806 DQFCJBNOYFUERV-RKDXNWHRSA-N 288.373 -0.590 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CSCCS1 755286000 YQUVSBSVRICEEA-MRVPVSSYSA-N 286.382 -0.052 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1nccn2ccnc12 755286443 KQILYFFRKZXMEQ-UHFFFAOYSA-N 285.267 -0.544 50 20 CBGD O=C(NNC(=O)C1CCC1)c1ccc2nnc(O)n2c1 762975836 ZRQPHVQEHMUNDA-UHFFFAOYSA-N 275.268 -0.004 50 20 CBGD C=CCn1c(=O)n(CC=C)c(=O)n(C/C=C/C#N)c1=O 763297505 GBMCMVGCRSPPDU-AATRIKPKSA-N 274.280 -0.377 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)[C@H](C)COC 782477352 OJUSDPROVMVJLH-SSDOTTSWSA-N 253.324 -0.483 50 20 CBGD C[C@H]1CN(C)C(=O)CN1S(=O)(=O)CBr 782493891 XBFZDKUAOXWSLB-LURJTMIESA-N 285.163 -0.169 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](C(=O)OC)[C@@H]1C 787325441 QQWVVDNCCQRELC-LPEHRKFASA-N 285.344 -0.184 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CCC(=O)NC1 798306192 AIFYCPUSAJQAIW-ZETCQYMHSA-N 256.331 -0.806 50 20 CBGD CC(=O)NCC(=O)NNc1ccc(-c2nn[nH]n2)cc1 823994998 WLBWMUNOCGHCDM-UHFFFAOYSA-N 275.272 -0.554 50 20 CBGD Cc1nnc(CC(=O)NNC(=O)N2CCOCC2)s1 824621538 RFBXLKWKBOHFAE-UHFFFAOYSA-N 285.329 -0.538 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCC1(CC(N)=O)CC1 826984333 FKPMKLPOYUXECL-BDAKNGLRSA-N 298.343 -0.603 50 20 CBGD CCS(=O)(=O)N[C@H](C)C(=O)NNc1ccnc(F)c1 831919436 ZOFIQTWMLYUITK-SSDOTTSWSA-N 290.320 -0.008 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H]2C(N)=O)o1 847554901 MDXMIXUQKGXRGR-HTQZYQBOSA-N 265.269 -0.139 50 20 CBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)N=c1cc[nH]cc1 848044686 NDAKTTIOSGXYEY-IUCAKERBSA-N 277.284 -0.832 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)CC1OCCO1 854388686 SKWOZWURLBCCKU-UHFFFAOYSA-N 290.316 -0.314 50 20 CBGD C#CC[C@@H](CO)NC(=O)/C(C#N)=C\c1cnn(C)c1 854542191 PEXLGZCXDUXKTC-QJGQKNTRSA-N 258.281 -0.173 50 20 CBGD CNC(=S)N(C)NC(=O)CCC(=O)N1CCOCC1 854929425 GUWXFKYXOZPGQL-UHFFFAOYSA-N 288.373 -0.907 50 20 CBGD O=C(NNC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1cc[nH]n1 855359083 DXHTXPHMBMQSBC-ZETCQYMHSA-N 277.284 -0.818 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(NC)cc1 861499664 SYUKXIGKISNIQS-UHFFFAOYSA-N 294.311 -0.149 50 20 CBGD O=C1N[C@H](C(=O)NNC(=O)c2cccc(F)n2)CCO1 862236229 JWJGCVVEKMWSFC-ZETCQYMHSA-N 282.231 -0.520 50 20 CBGD CSC1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 862458386 FASPAIROEFLRMW-LURJTMIESA-N 257.315 -0.692 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H](F)Cc2ccccc2)N1 862459950 BXWZPXQKSXAAOV-MNOVXSKESA-N 293.298 -0.007 50 20 CBGD C[C@@H]1CC[C@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 862460004 CULQLYDMDVGKFJ-VGMNWLOBSA-N 253.302 -0.151 50 20 CBGD CCc1ccnc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862460782 JWJZFYIIAPRTGA-SECBINFHSA-N 276.296 -0.316 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C(C1CC1)C1CC1 863464701 SLVHXFDIPPUSAD-UHFFFAOYSA-N 274.342 -0.385 50 20 CBGD O=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 863879712 YQZKOBYJPDCHPF-TXEJJXNPSA-N 273.097 -0.298 50 20 CBGD CCOC(=O)[C@H](C(=O)NNC(=O)CN(C)C)C(C)C 878681248 KMJKRCGQFWTORL-JTQLQIEISA-N 273.333 -0.469 50 20 CBGD Cn1cnnc1SCC(=O)NNC(=O)[C@H]1CCCCO1 905851861 CVVMGYUPMCDPRK-MRVPVSSYSA-N 299.356 -0.376 50 20 CBGD CCNC(=O)NNC(=O)c1ccc([N+](=O)[O-])n1C 920858182 IHTVKYJKEJBWOD-UHFFFAOYSA-N 255.234 -0.103 50 20 CBGD Cn1cnc(CNC(=O)NNc2ncncc2F)n1 1324885090 TZGQDMDXMDLFKN-UHFFFAOYSA-N 266.240 -0.430 50 20 CBGD CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cnc[nH]1 1327998360 DTXKPNYNYCZAPL-MRVPVSSYSA-N 270.314 -0.315 50 20 CBGD CCNC(=O)CNC(=O)NNC(=O)c1cccc(F)n1 1329876532 MCSAEXAJSGEXHH-UHFFFAOYSA-N 283.263 -0.699 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C1CC2(CC2)C1 1330169251 WTQSQFWZPBTZDA-UHFFFAOYSA-N 260.315 -0.631 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2c[nH]nc2C2CC2)N1 1330225115 FDMGDBVAMCMANW-QMMMGPOBSA-N 277.284 -0.673 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](COC)OC 1330953524 BGVWNXQQMNVWKK-VIFPVBQESA-N 289.332 -0.900 50 20 CBGD C[C@@H](C(=O)NNc1ncc(F)cn1)S(C)(=O)=O 1341257297 MQWVIRKTQWIBNU-YFKPBYRVSA-N 262.266 -0.508 50 20 CBGD CN(C)N(C(=O)c1cc(=O)cc[nH]1)[C@@H]1CCS(=O)(=O)C1 1342459402 UMIPBMRUHVBRQI-SECBINFHSA-N 299.352 -0.519 50 20 CBGD CCn1ncnc1C=NNC(=O)NCC(=O)OC 1346491467 AVJOIUDNZQDOMB-UHFFFAOYSA-N 254.250 -0.896 50 20 CBGD CO[C@@H](CN)C(=O)NNC(=O)COc1ccccc1F 1579111270 XNRQMBVRWSBCLI-JTQLQIEISA-N 285.275 -0.674 50 20 CBGD Cn1nncc1NNC(=O)c1csc(-c2nn[nH]n2)c1 1592612908 DDHOPPLEUYEQCV-UHFFFAOYSA-N 291.300 -0.186 50 20 CBGD CN1CCO[C@@H](C(=O)NNc2ncccc2C(=O)O)C1 1593787439 IWVUBDQWJNPGFU-SECBINFHSA-N 280.284 -0.447 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CCOCC1)c1ccc[nH]1 1594782918 NPNDVLNBVSOPFH-UHFFFAOYSA-N 281.268 -0.343 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cscc1-c1nn[nH]n1 1603699421 JVGGSQWLTVUEJJ-LURJTMIESA-N 282.329 -0.114 50 20 CBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=O)NCC(F)(F)F 1604463882 SFBJVXFLQSFWFG-SSDOTTSWSA-N 287.194 -0.631 50 20 CBGD CC[C@H](C)[C@@H](NNC(=O)[C@H]1CCC(=O)N1)C(=O)O 1604947233 QLTLSLXHIQQCAX-LKEWCRSYSA-N 257.290 -0.615 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1 1609681265 WSSAYGLYBZTRJY-JGVFFNPUSA-N 272.301 -0.204 50 20 CBGD CC(=NNC(=O)C(=O)NC1CC1)c1cncc(C(=O)O)c1 1776027182 GOOWQGUFQNGKCD-UHFFFAOYSA-N 290.279 -0.101 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCO1)c1ccc2[nH]c(=O)[nH]c2c1 42968895 DIZJWWMQFOYHJH-JTQLQIEISA-N 290.279 -0.204 50 20 CBGD CCNC(=O)NC1(C(=O)NNC(=O)NC)CCCC1 48968836 XAAAKGOHGUSKTA-UHFFFAOYSA-N 271.321 -0.422 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ncn(-c2ccccc2)n1 155788913 ANKRHCBUJWPPCS-UHFFFAOYSA-N 288.311 -0.410 50 20 CBGD O=C(CO)NNC(=O)c1cc(F)cc2nccnc12 182744360 UXDCCCFRNXEJFU-UHFFFAOYSA-N 264.216 -0.478 50 20 CBGD COc1cccc2[nH]cc(CC(=O)NNC(=O)CO)c12 182763019 ZZPJCOOMDHKKIT-UHFFFAOYSA-N 277.280 -0.141 50 20 CBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cccnc1 263849301 MNVDLKQFLYBHMN-DTWKUNHWSA-N 263.253 -0.348 50 20 CBGD CS[C@@H](C)C(=O)NNC(=O)CNC(=O)c1cccnc1 268677323 JSSYCSRFCCLQMX-QMMMGPOBSA-N 296.352 -0.290 50 20 CBGD CCOc1ccc(S(=O)(=O)NNC(=O)NC)cn1 273488464 VMTYJGPJKKAEKX-UHFFFAOYSA-N 274.302 -0.397 50 20 CBGD Cn1nnc2cc(C(=O)NNC(=O)C3CCC3)cnc21 273543326 UFQXIMPJCGOOAS-UHFFFAOYSA-N 274.284 -0.076 50 20 CBGD O=C1C[C@@H](C(=O)NNc2nnc(C3CC3)s2)CN1 273644305 VVJLQTUUFDJSJF-ZCFIWIBFSA-N 267.314 -0.005 50 20 CBGD Cc1ccc(CC(=O)NNC(=O)N2CCN(C)CC2)cn1 283024209 XVQGHXCVDNZJRJ-UHFFFAOYSA-N 291.355 -0.079 50 20 CBGD CCCOCC(=O)NNC(=O)C(=O)N1CCCC1 299498953 PPZBYMTVHKEOSJ-UHFFFAOYSA-N 257.290 -0.817 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)CN1CCCS1(=O)=O 490755226 WIKNAXYOGZJGHU-UHFFFAOYSA-N 293.345 -0.422 50 20 CBGD CCO/C=C(/C#N)C(=O)NCC(=O)NCC(F)F 490974366 NAEUWQPDWIXXOO-SREVYHEPSA-N 261.228 -0.072 50 20 CBGD COC(=O)N(C)NC(=O)CCSc1nnnn1C 495763164 QRQWEUZLOKREII-UHFFFAOYSA-N 274.306 -0.578 50 20 CBGD COC(=O)N(C)NC(=O)c1ccc(S(N)(=O)=O)nc1 496996305 HAZMRXMCXPHQBB-UHFFFAOYSA-N 288.285 -0.928 50 20 CBGD CC[C@@H](C)[C@@H](CO)NC(=O)c1ccc(B(O)O)c(F)c1 584968754 DNTWVUIUMKOLRN-PRHODGIISA-N 283.108 -0.358 50 20 CBGD C[C@@]1(F)CCN(C(=O)c2cccc(B(O)O)c2)C1 584970338 WZZNXFMRRZABIK-GFCCVEGCSA-N 251.066 -0.060 50 20 CBGD CCO[C@H]1COCC[C@@H]1NC(=O)c1ccc(B(O)O)cc1 584976882 UWIBFTCMHJKOBB-STQMWFEESA-N 293.128 -0.710 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@H]2COCC[C@H]2C1 585005001 UPYCNWXNQKTIHU-QWRGUYRKSA-N 293.103 -0.386 50 20 CBGD O=C1CCCCN1CCCCNCc1ccc(B(O)O)o1 585021023 OEUPQUMHVWRERN-UHFFFAOYSA-N 294.160 -0.158 50 20 CBGD CC(C)N1CC[C@@H](NCc2ccc(B(O)O)cc2)C1=O 585030197 XSLTWAWORBCLDM-CYBMUJFWSA-N 276.145 -0.535 50 20 CBGD C[C@@H](C[S@](C)=O)NCc1ccccc1B(O)O 585033726 ARVOGRMPRGNOJL-XYZCENFISA-N 255.148 -0.777 50 20 CBGD OC[C@@H](NCc1ccccc1B(O)O)[C@H]1CCCOC1 585046143 NZTUMKUGIXATIW-GXTWGEPZSA-N 279.145 -0.757 50 20 CBGD COc1ccnc(NNC(=O)CSCC(N)=O)n1 733891575 SLSSFVPIWASWBK-UHFFFAOYSA-N 271.302 -0.853 50 20 CBGD CC(=NNC(=O)Cc1cc(O)nc(O)n1)[C@H]1CCOC1 743446161 OZOUNLGMTZIRCP-QMMMGPOBSA-N 280.284 -0.041 50 20 CBGD CN(C)CCN1C[C@H](C(=O)NNC(=O)C2CCC2)CC1=O 746248698 WUNZLYQSGKGHHG-LLVKDONJSA-N 296.371 -0.656 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)C2CCC2)o1 747417545 TXBWXPPZJFOOHN-UHFFFAOYSA-N 251.242 -0.060 50 20 CBGD COC(=O)NNC(=O)Nc1cnn(CC(=O)NC2CC2)c1 747548119 SPXILSKLKSDYFA-UHFFFAOYSA-N 296.287 -0.446 50 20 CBGD NC(=O)c1ccc(NNC(=O)c2cccnc2O)nn1 757391170 CCOGVBRQLWJDGB-UHFFFAOYSA-N 274.240 -0.567 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCc2nn[nH]c2C1 759550697 VGQFYHPOKKKVHD-SECBINFHSA-N 294.359 -0.255 50 20 CBGD O=C(CN1CCCNC1=O)NNc1ncc(F)cn1 760922273 FLQVDZRADCBQGB-UHFFFAOYSA-N 268.252 -0.526 50 20 CBGD COCCCNC(=O)NNC(=S)NCc1ccon1 764457476 LJBHHNITJYICLZ-UHFFFAOYSA-N 287.345 -0.111 50 20 CBGD CC(=O)N[C@@H](C(=O)NNC(=O)C(C)(C)O)C(C)C 768245595 WQFMMWHRZOZCGI-MRVPVSSYSA-N 259.306 -0.935 50 20 CBGD CS(=O)(=O)NCCOC(=O)/C(C#N)=C\C1CC1 786679952 SINLCQFGGXEUNZ-TWGQIWQCSA-N 258.299 -0.061 50 20 CBGD C[C@H](NC(=O)COC(=O)/C(C#N)=C/C1CC1)C(=O)N(C)C 786680209 WDUKXEAOVRENOB-CAXXOGMASA-N 293.323 -0.018 50 20 CBGD O=C(CN1C[C@@H](O)Cc2ccccc21)NNC(=O)C1CC1 789353471 KNLNSPHQJSYPAJ-LBPRGKRZSA-N 289.335 -0.033 50 20 CBGD O=C(CCn1cnccc1=O)NNC(=O)C1CCCC1 794222354 OZYDSQVYXLHBEJ-UHFFFAOYSA-N 278.312 -0.029 50 20 CBGD C[C@H]1COC(=O)C1=NNC(=O)CNC(=O)c1cccnc1 794918029 NAHPYNPEYHVIDD-QMMMGPOBSA-N 290.279 -0.524 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H](C)NC(=O)C(C)(C)C 823977560 ZSNKBLSLICMARH-DTWKUNHWSA-N 259.350 -0.119 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCN(C(C)C)C(=O)C1 828755174 KKVXPSNXPXCDBC-UHFFFAOYSA-N 284.360 -0.658 50 20 CBGD CS(=O)(=O)c1cccc(NNC(=O)[C@H]2CC(=O)N2)c1 831747818 ZOLYBDFFQNNXMF-SECBINFHSA-N 283.309 -0.578 50 20 CBGD CCN[C@H](C)CNC(=O)NNC(=O)[C@H]1CCCCO1 841984942 JLMCHPOZZAWHSB-NXEZZACHSA-N 272.349 -0.116 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H](C)C(=O)O)n1 842649806 IBIVIAWPRFLBHY-ZCFIWIBFSA-N 254.246 -0.043 50 20 CBGD O=C(NNS(=O)(=O)N1CCCOCC1)C1CCCC1 844645556 AIJCZUOMLAQLOE-UHFFFAOYSA-N 291.373 -0.236 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H](O)CCSC 854923436 VUBCINODEZQTBA-LURJTMIESA-N 251.377 -0.432 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H](NC(=O)COC)C(C)C 854924782 RHPKBEISADVWJV-VIFPVBQESA-N 290.389 -0.759 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)CC(F)(F)F)CCC1 855002229 QPVONELLFHLMOF-UHFFFAOYSA-N 267.207 -0.258 50 20 CBGD C[C@H](NNC(=O)CN1CCCS1(=O)=O)C(F)(F)F 862310246 SMRAYQGNZMIZFX-LURJTMIESA-N 289.279 -0.407 50 20 CBGD Nc1nc(Cl)ccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862462202 VILXKPAASCZZRT-LURJTMIESA-N 297.702 -0.643 50 20 CBGD Cc1ncc(CO)c(C=NNC(=O)[C@H]2CCC(=O)N2)c1O 863146688 UDPVYJZRLCWUQW-SNVBAGLBSA-N 292.295 -0.683 50 20 CBGD CCOC(=O)CN(C(=O)c1cccc(B(O)O)c1)C(C)C 863879959 JDMLZLQBKIQCKB-UHFFFAOYSA-N 293.128 -0.220 50 20 CBGD COCCOCC(=O)NNC(=O)c1csc2cncn12 869909614 CXTHLFBNLIQWTN-UHFFFAOYSA-N 298.324 -0.180 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H]1CCCN1S(C)(=O)=O 921039603 UUANRAIFUARYPV-QMMMGPOBSA-N 292.361 -0.849 50 20 CBGD C[C@@H]1COC[C@H]1NC(=O)c1cc(B(O)O)ccc1F 928884309 LOIOXCCOBARMDR-RDDDGLTNSA-N 267.065 -0.730 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccc[nH]1 1119149953 LEVLHGDYAYRONZ-CBAPKCEASA-N 279.300 -0.315 50 20 CBGD COCC(C)(C)CNC(=O)NNC(=O)C(=O)OC 1261221938 PHDJCADJDVILKP-UHFFFAOYSA-N 261.278 -0.838 50 20 CBGD CC(C)(C)S(=O)(=O)CC(=O)NNc1nc[nH]n1 1261245547 GEYVOWAMSXDIQS-UHFFFAOYSA-N 261.307 -0.539 50 20 CBGD CCCS(=O)(=O)CC(=O)NNC(=O)Cc1cccnc1 1318255069 UPZKDHVTNLUYAF-UHFFFAOYSA-N 299.352 -0.404 50 20 CBGD O=C(NNc1cccnn1)N[C@H]1CCCS(=O)(=O)C1 1320271164 CJEQMVQRAPFMJF-QMMMGPOBSA-N 285.329 -0.320 50 20 CBGD COC(=O)NNC(=O)CCC[C@]1(C)NC(=O)NC1=O 1320546803 XJLLEIQKTOSZET-JTQLQIEISA-N 272.261 -0.858 50 20 CBGD C#CC[C@@H](CCOC)NC(=O)NNC(=O)c1cn[nH]c1 1331312064 FEKZMGZARINJPK-JTQLQIEISA-N 279.300 -0.218 50 20 CBGD C[C@@H](C(=O)NNC(=O)CN1CCCC1=O)c1cnn(C)c1 1333423907 IAZISAPAZDIOML-SECBINFHSA-N 293.327 -0.707 50 20 CBGD O=C(NNc1ncccn1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1337271664 SJCJWNXRHPBSNK-UHFFFAOYSA-N 298.262 -0.237 50 20 CBGD O=C(CCO)NNC(=O)Nc1cnn(-c2ccccn2)c1 1338053160 SXYBPAPWMANDIH-UHFFFAOYSA-N 290.283 -0.198 50 20 CBGD Cn1nccc1CCNC(=O)NNC(=O)c1ccc[nH]1 1342573748 OFYKZUALDDBNTO-UHFFFAOYSA-N 276.300 -0.065 50 20 CBGD CS(=O)(=O)c1ccccc1NNC(=O)C[C@@H]1CC(=O)N1 1350924499 SUUPLAJIPOPAOY-QMMMGPOBSA-N 297.336 -0.188 50 20 CBGD C[C@]1(C(=O)NNC(=O)Cc2ccccc2O)CNCCO1 1576351106 WJPRPCCSQRHBOO-CQSZACIVSA-N 293.323 -0.539 50 20 CBGD CNC(=S)N(C)NC(=O)c1coc(-c2nn[nH]n2)c1 1591215707 QNLKFIXLEVILIT-UHFFFAOYSA-N 281.301 -0.459 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(=O)O)nc1 1594643466 GLKCTDDKOOXCGS-CBAPKCEASA-N 293.279 -0.034 50 20 CBGD CCCCN(C)C[C@@H](C)NC(=O)NNC(=O)C(=O)O 1595736964 HKFXCEUABTXEMS-MRVPVSSYSA-N 274.321 -0.478 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CC[C@@H](C(=O)O)C1 1598662298 XCBCAGSJHZZTET-NKWVEPMBSA-N 259.331 -0.045 50 20 CBGD O=C(NCC1(CC2CC2)CC1)NNC(=O)C(=O)O 1601474812 NEDVGZMOIVMOFU-UHFFFAOYSA-N 255.274 -0.018 50 20 CBGD O=C(NCc1ccoc1C(=O)O)c1cccc(B(O)O)c1 1601545975 RTIPKLCNTFZDSV-UHFFFAOYSA-N 289.052 -0.412 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)OC1COC1 1606858458 SPTRZGIYZADJHS-UHFFFAOYSA-N 277.244 -0.286 50 20 CBGD COCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847558324 JHWHDBFRRDDDSP-GUBZILKMSA-N 290.747 -0.566 50 20 CBGD COCc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1 8392907 JOYPGEDDLQJWNW-UHFFFAOYSA-N 291.307 -0.127 50 20 CBGD CCCNC(=O)NNS(=O)(=O)c1cn(C)c(Cl)n1 120127861 FDWKVHONXKYQRL-UHFFFAOYSA-N 295.752 -0.024 50 20 CBGD CC[C@@H](C(=O)NNC(=O)N(C)C)N1CCCC1=O 266826427 JALWUFCJJFCRMA-QMMMGPOBSA-N 256.306 -0.310 50 20 CBGD O=C(CC(=O)NNC(=O)c1ccc[nH]1)NCC(F)(F)F 272386105 SVXSQFIHIGSUIW-UHFFFAOYSA-N 292.217 -0.156 50 20 CBGD CC(=O)NNC(=O)CNS(=O)(=O)c1cccs1 274195401 LPGRACGOPKOQIN-UHFFFAOYSA-N 277.327 -0.806 50 20 CBGD CC(C)(O)C(=O)NNC(=O)COc1ccc(C=O)cc1 278013462 SACKMIIXLHKCHL-UHFFFAOYSA-N 280.280 -0.204 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)C(=O)NCC2CC2)O1 293767763 AKIATKMINQTWCM-CBAPKCEASA-N 269.301 -0.773 50 20 CBGD O=C1CCCC[C@H](C(=O)NNC(=O)[C@H]2CCCO2)N1 294024032 UESBEFZMASYFPR-RKDXNWHRSA-N 269.301 -0.628 50 20 CBGD C[C@H](O)C(=O)NNC(=O)COc1ccc(C#N)cc1 294443175 SGRFVKIJKAWZED-QMMMGPOBSA-N 263.253 -0.535 50 20 CBGD CN1CCC[C@H](N(C)C(=O)c2cccc(B(O)O)c2)C1 584950958 MIGWFNAAJOJUFY-ZDUSSCGKSA-N 276.145 -0.467 50 20 CBGD C[C@]1(CNC(=O)c2ccc(B(O)O)cc2)CCCO1 584958676 WUQJNOODVSYKQB-CYBMUJFWSA-N 263.102 -0.335 50 20 CBGD C[C@@](CO)(NC(=O)c1cccc(B(O)O)c1)C1CC1 584962388 DPMODOWQAWJJMY-ZDUSSCGKSA-N 263.102 -0.743 50 20 CBGD C[C@@H]1[C@@H](NC(=O)c2cccc(B(O)O)c2)CCCN1C 584975066 YFUCJEJGAFVGAQ-MFKMUULPSA-N 276.145 -0.421 50 20 CBGD CO[C@H]1CC[C@H](NC(=O)c2ccc(B(O)O)cc2)C1 584980147 RNTZYADPWPQIGC-RYUDHWBXSA-N 263.102 -0.336 50 20 CBGD COCC1(CNCc2cccc(B(O)O)c2)CCOCC1 585042922 HITBIYKFKYDLEC-UHFFFAOYSA-N 293.172 -0.101 50 20 CBGD COc1ccc(S(=O)(=O)NCB(O)O)cc1F 585053637 BHSXQIDBXUJUHU-UHFFFAOYSA-N 263.055 -0.875 50 20 CBGD CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](B(O)O)C1 585067962 WNJMYCPDNCXWFL-QWRGUYRKSA-N 270.138 -0.388 50 20 CBGD CCCCNC(=O)NNC(=O)CN(C)C(=O)C1CC1 733139686 OUGGKILBCRGPFP-UHFFFAOYSA-N 270.333 -0.015 50 20 CBGD Cc1noc2ncc(S(=O)(=O)NNC(=O)O)cc12 738956048 YPHVAEPGQMCKDQ-UHFFFAOYSA-N 272.242 -0.008 50 20 CBGD C[C@@H]1CS(=O)(=O)CCN1C(=O)NNC(=O)C(C)(C)C 740052509 RFBKKQIAOFGMIY-MRVPVSSYSA-N 291.373 -0.108 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cc[nH]n1 751200953 CSWFWMOYCNDACQ-UHFFFAOYSA-N 277.240 -0.806 50 20 CBGD COc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)CO 753438950 USZLMGZFCOUOIT-UHFFFAOYSA-N 269.213 -0.643 50 20 CBGD CC(=O)NNS(=O)(=O)c1cn(CC(C)C)cn1 775249409 MIZHXTRLVVBRKP-UHFFFAOYSA-N 260.319 -0.132 50 20 CBGD CN1CCN(c2ccc(C=NNC(=O)CO)cc2)CC1 776779515 LDOILXHUMSADQV-UHFFFAOYSA-N 276.340 -0.119 50 20 CBGD CCOC(=O)/C(C#N)=C\N[C@@H](COC)C(=O)OC 777870047 QXTKFYGHCDKNMV-XZLDQRQTSA-N 256.258 -0.265 50 20 CBGD CCOCCCNC(=S)NNC(=O)NCC(=O)OC 779720569 LKTQZCDFRBCCNW-UHFFFAOYSA-N 292.361 -0.736 50 20 CBGD Cn1cc(-c2nn(C)cc2C(=O)NNC(=O)C2CC2)cn1 780161332 YSIRWFFPPVUHML-UHFFFAOYSA-N 288.311 -0.008 50 20 CBGD COc1ncnc(N)c1C=NNC(=O)C(C)(C)O 785460932 HAFGTCSXBZNULF-UHFFFAOYSA-N 253.262 -0.712 50 20 CBGD CON=CC(=O)NNC(=O)COc1ccc(F)cc1 785691529 URIFUZFLGQWNDL-UHFFFAOYSA-N 269.232 -0.016 50 20 CBGD CC[C@H](C)OCC(=O)NNC(=O)N1CCN(C)CC1 788165538 CNYOVPWTRNRKQU-JTQLQIEISA-N 272.349 -0.210 50 20 CBGD CN(C)S(=O)(=O)CCNC(=O)NNC(=O)C(C)(C)C 811878495 LXWUNFJBRFEGAW-UHFFFAOYSA-N 294.377 -0.746 50 20 CBGD CN(NC(=O)[C@H]1CCCCN1S(C)(=O)=O)C1CC1 819644006 XUSVOWHZLHNAPE-SNVBAGLBSA-N 275.374 -0.074 50 20 CBGD CO[C@@H](C)CNC(=O)NNc1nc(O)c2cnn(C)c2n1 821464574 MTHADZYYPXXMKF-LURJTMIESA-N 295.303 -0.270 50 20 CBGD COCC(=O)NNC(=O)Nc1ccnc(OCCO)c1 825863903 JJBSTVVSXVRUPC-UHFFFAOYSA-N 284.272 -0.748 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC(=O)N(C)C[C@@H]1C 827276376 ZXDQIBJXVGDAMZ-GUBZILKMSA-N 298.343 -0.685 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cnn(C)c1N 842548989 FPSJYOSJUFFMMF-IONNQARKSA-N 251.290 -0.123 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@H](C)N[C@H](C)C1 843352327 YUMWDVYOTGQHFS-KXUCPTDWSA-N 256.350 -0.386 50 20 CBGD Cc1cc(=O)c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cn1C 843970725 KGZIZMJTCMAHNO-UWVGGRQHSA-N 293.323 -0.120 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)NCC1CC1 845297654 CXUPLLBRHMAKEM-UHFFFAOYSA-N 270.333 -0.111 50 20 CBGD O=C(CO)NNC(=O)CC1(Cn2cnnn2)CCCCC1 846636763 QDKUZHLHHRHTRX-UHFFFAOYSA-N 296.331 -0.847 50 20 CBGD CN1C[C@@H](N(C)CC(=O)NNC(=O)C(C)(C)C)CCC1=O 846919594 HZIINPJSMHINKE-JTQLQIEISA-N 298.387 -0.268 50 20 CBGD CN1CCN(C(=O)NNC(=O)Cc2cncc(O)c2)CC1 848375061 LSOMCCNILCZUPH-UHFFFAOYSA-N 293.327 -0.682 50 20 CBGD C#C[C@@H](CC)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 854070407 NEPFPHAACZQEFH-ONGXEEELSA-N 273.358 -0.221 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@@H](O)C(C)C 854285498 MEKKKUJULQBXBM-VIFPVBQESA-N 277.390 -0.123 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@]1(O)CCOC1 854387918 PIQWOFBVUQIYNW-GFCCVEGCSA-N 290.316 -0.926 50 20 CBGD C[C@H](NC(=S)NNC(=O)Cn1cncn1)C1CC1 855103385 UMDLVGMQIIIAKH-ZETCQYMHSA-N 268.346 -0.428 50 20 CBGD CC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c1cc[nH]n1 855356202 IGUUJZGQLHMZNO-JTQLQIEISA-N 281.316 -0.279 50 20 CBGD O=C(CCN1CCCC1=O)NNC(=O)c1cc[nH]n1 855358261 DHDXEXXRKUVLPI-UHFFFAOYSA-N 265.273 -0.817 50 20 CBGD CON=CC(=O)NNC(=O)CCCNC(=O)C(C)(C)C 855832346 BGKAKQZOKCXFHQ-UHFFFAOYSA-N 286.332 -0.292 50 20 CBGD CNC(=O)CCCC(=O)NNC(=O)c1cccc(F)n1 856422987 JPQWIPMLOSWRRP-UHFFFAOYSA-N 282.275 -0.102 50 20 CBGD C#C[C@H](CCC)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858391042 VKCJXMQMBBXEKB-RKDXNWHRSA-N 266.301 -0.603 50 20 CBGD CC[C@@H](C)CONC(=O)NNC(=O)[C@H]1CCC(=O)N1 858482462 YUOJLPNOMRGNOG-HTQZYQBOSA-N 272.305 -0.427 50 20 CBGD CCn1cc(C(=O)NNC(=O)N2CCOCC2)c(C)n1 858906190 PXUMVCNFXRTRLL-UHFFFAOYSA-N 281.316 -0.102 50 20 CBGD N#C[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)CCN1C1CC1 863890096 JQOPBDOIFIRJNZ-CQSZACIVSA-N 299.139 -0.821 50 20 CBGD O=C(NN=Cc1ccc(-n2cncn2)cc1)C(=O)NC1CC1 863967293 CWHWGUJLTHDEDI-UHFFFAOYSA-N 298.306 -0.004 50 20 CBGD CCN(CC)C[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 865806353 JFTBQZOYNUWAGI-LLVKDONJSA-N 278.161 -0.174 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CCSc1nnnn1C 910170480 MHQFEXSULBLNPU-SSDOTTSWSA-N 274.350 -0.964 50 20 CBGD C[C@@H](NC(=S)NNC(=O)c1cn(C)c(=O)n1C)C1CC1 912160727 NZHWJPPAGBMSMD-SSDOTTSWSA-N 297.384 -0.369 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@H](O)c1ccccc1 913730672 DXXPDWCAMPOHDL-CYBMUJFWSA-N 291.307 -0.510 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1C[C@]12C(=O)Nc1ccccc12 930584244 IUZQLSHPYWSBSY-ISVAXAHUSA-N 274.280 -0.143 50 20 CBGD Cn1cnc(CNC(=O)NNC(=O)c2ccccc2O)n1 1116440616 MPGPGLUQIXNHIW-UHFFFAOYSA-N 290.283 -0.335 50 20 CBGD O=C(NNC(=O)N1CCCOCC1)c1cn[nH]c1 1118810979 NVBLWKJDBIBIJG-UHFFFAOYSA-N 253.262 -0.514 50 20 CBGD CC(C)(C)n1cc(C=NNC(=O)CS(C)(=O)=O)nn1 1261832994 IJRRYOPNJKHQNB-UHFFFAOYSA-N 287.345 -0.472 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCC=C(Cl)Cl)N1 1263649621 GGNGISUEVDKPOO-RXMQYKEDSA-N 295.126 -0.086 50 20 CBGD CN(CC(=O)NNc1ncccn1)[C@@H]1CCS(=O)(=O)C1 1320696259 KRLFGEVXUGFDEL-SECBINFHSA-N 299.356 -0.961 50 20 CBGD NC(=O)c1ccc(NNC(=O)CCc2ccncn2)nn1 1320750354 YMGUFWFDJWHHIL-UHFFFAOYSA-N 287.283 -0.559 50 20 CBGD N#Cc1ncn(CC(=O)NNC(=O)NCC(F)(F)F)n1 1321135889 HXLWLECABXQHTJ-UHFFFAOYSA-N 291.193 -0.958 50 20 CBGD CC(C)NC(=S)NNC(=O)Cn1ccc([N+](=O)[O-])n1 1323582876 KCWCCMBQYGUJBI-UHFFFAOYSA-N 286.317 -0.305 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C)[nH]1 1323722608 OQFIFKOTKCFOBM-SECBINFHSA-N 299.352 -0.173 50 20 CBGD CN1CC[C@H](C(=O)NNc2cnnn2C)CC1=O 1328636549 JABXRDJTNBWPPY-ZETCQYMHSA-N 252.278 -0.873 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccn(C)n1 1329239013 HGZUVZBBYSFGSX-SCZZXKLOSA-N 281.316 -0.325 50 20 CBGD O=C(CC1CC1)NNC(=O)[C@H]1CCc2nncn2C1 1330607902 QTMYRUGXWNRBBI-VIFPVBQESA-N 263.301 -0.212 50 20 CBGD C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@H](B(O)O)C1 1335429523 CLLVBLRYQANXBM-IUCAKERBSA-N 280.089 -0.527 50 20 CBGD COc1ccc(NNC(=O)CN2C(=O)CCC2=O)nc1 1346304736 ZTBZFXBDSXGQKY-UHFFFAOYSA-N 278.268 -0.318 50 20 CBGD O=C(CCc1cn[nH]c1)NNC(=O)NC1CCNCC1 1580545682 VVPQUGBKRWWAEH-UHFFFAOYSA-N 280.332 -0.575 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1sc(C)cc1C(=O)O 1589150072 JPRAFRMBEXNSER-UHFFFAOYSA-N 285.281 -0.139 50 20 CBGD Cc1c(-c2nn[nH]n2)c(=O)n(C/C=C\C#N)c(=O)n1C1CC1 1591794109 YWMUGAKNLWRKAE-IHWYPQMZSA-N 299.294 -0.087 50 20 CBGD C[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H](C(=O)O)C1 1604749634 UOCDZZBOTKJSQJ-CABZTGNLSA-N 291.112 -0.308 50 20 CBGD C[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H](C(=O)O)C1 1604749635 UOCDZZBOTKJSQJ-JOYOIKCWSA-N 291.112 -0.308 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@@]1(C(=O)O)CCCO1 1605814748 RBLKEQFLDBRWGN-GFCCVEGCSA-N 294.267 -0.710 50 20 CBGD C[C@H](CC(=O)NNC(=O)C(=O)NC1CC1)C1CC1 49086629 VPDXDRSQXWJBCG-SSDOTTSWSA-N 253.302 -0.151 50 20 CBGD CNC(=O)NNC(=O)c1cc(S(C)(=O)=O)ccc1C 56376571 DGHACYNRMSZMCC-UHFFFAOYSA-N 285.325 -0.028 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1ccc[n+]([O-])c1 61527688 WXDJDHBXKCJWAU-UHFFFAOYSA-N 260.253 -0.267 50 20 CBGD CN(CCCC(=O)NN)C1=NS(=O)(=O)c2ccccc21 121225567 ZLRNXSNAUABQTN-UHFFFAOYSA-N 296.352 -0.163 50 20 CBGD O=C(CN1CSCC1=O)NNc1ncnc2nc[nH]c12 265855914 VRCZHGRLOZXBDN-UHFFFAOYSA-N 293.312 -0.671 50 20 CBGD CC[C@@H]1CC[C@@H](C(=O)NNC(=O)C(=O)NC2CC2)O1 268273802 HWSCDBXFLJFIAO-BDAKNGLRSA-N 269.301 -0.630 50 20 CBGD CCCC(=O)N1CCC[C@@H]1C(=O)NN(C)C(N)=O 271242771 BYFMXVPUWAHQRY-MRVPVSSYSA-N 256.306 -0.181 50 20 CBGD C[C@@H](NC(=O)c1cc(B(O)O)ccc1F)[C@@H]1CCOC1 584952157 RYXXDLQXNBVXFB-RKDXNWHRSA-N 281.092 -0.340 50 20 CBGD CN1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1(C)C 584984939 DYGCXYAKRWTEID-UHFFFAOYSA-N 294.135 -0.328 50 20 CBGD O=C(N[C@@H](CO)CC1CCC1)c1ccc(B(O)O)c(F)c1 584992522 OOBXIZQLKJMJQA-LLVKDONJSA-N 295.119 -0.214 50 20 CBGD C[C@H]1[C@H](CO)CCCN1C(=O)c1ccc(B(O)O)c(F)c1 585000968 RXBXFPVVQNZONO-ONGXEEELSA-N 295.119 -0.262 50 20 CBGD CC[C@H](NC(=O)c1ccc(B(O)O)cc1)[C@@H](O)C(C)C 585001773 CUPIXPMEJLASLY-STQMWFEESA-N 279.145 -0.108 50 20 CBGD C[C@H](CCn1cncn1)NCc1ccc(B(O)O)o1 585018517 XHVZWZHSPPCWEG-SECBINFHSA-N 264.094 -0.881 50 20 CBGD CCCN1C[C@H](NCc2ccc(B(O)O)o2)CC1=O 585048882 XWOVDSTYYPADCV-SECBINFHSA-N 266.106 -0.940 50 20 CBGD O=C(NCB(O)O)c1cc(F)cc2nc(S)[nH]c12 585062174 RGQUPSYLDPERHJ-UHFFFAOYSA-N 269.066 -0.268 50 20 CBGD CC(C)NC(=O)NNC(=O)CCN1CCCC1=O 727737529 URCRLPRYSARHPC-UHFFFAOYSA-N 256.306 -0.262 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccccc1O 728436414 GDBOYLTUGUBFMM-MRVPVSSYSA-N 285.325 -0.220 50 20 CBGD O=C(CCN1CCOCC1)NNc1cnccn1 734245078 JCGCZAZYWCQMEQ-UHFFFAOYSA-N 251.290 -0.358 50 20 CBGD O=C(CC1CCC1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 742491330 SZVOYAKDHAUKPS-SECBINFHSA-N 274.342 -0.241 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cnn2cccnc12 745988216 VUWWPUMERSCFEK-UHFFFAOYSA-N 290.283 -0.584 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)c2ccccn2)C1 746091989 RBPFPPCZVJWBRR-NSHDSACASA-N 278.312 -0.437 50 20 CBGD C#CCOCCNC(=O)NNC(=O)[C@H](C)OCCOC 753380434 ZMUBQZGCRGLHED-JTQLQIEISA-N 287.316 -0.982 50 20 CBGD CC(CCN(C)C)=NNC(=O)[C@H](C)NS(C)(=O)=O 767376926 HQLACFOGBUTHMD-VIFPVBQESA-N 278.378 -0.632 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)CCOC(C)C 768495157 PTZYWMDTFYYPHS-UHFFFAOYSA-N 267.351 -0.093 50 20 CBGD Cn1cnc(-c2ccc(NC(=O)NNC(=O)CO)cc2)n1 771767168 KLHKWQRDKYSSJJ-UHFFFAOYSA-N 290.283 -0.373 50 20 CBGD COc1nccnc1NNC(=O)[C@@H](O)c1cnn(C)c1 774465368 IZSYFEINSHKKTO-QMMMGPOBSA-N 278.272 -0.605 50 20 CBGD CC(C)C(=O)NNC(=O)NCCN1CCN(C)C(C)(C)C1 799395886 CNLCDMIOXKMFMR-UHFFFAOYSA-N 299.419 -0.001 50 20 CBGD CCN(C)C(=O)c1cccc(NC(=O)NNC(=O)CO)c1 806778128 YZVTVEDANKYUOZ-UHFFFAOYSA-N 294.311 -0.077 50 20 CBGD COCC1(C(=O)NNC(=O)N2CCN(C)CC2)CC1 807382918 UZRMZBYCSIMJLL-UHFFFAOYSA-N 270.333 -0.599 50 20 CBGD COCCN(C)NC(=O)C1CCN(C(=O)N(C)C)CC1 808075161 JDPBTQZGRICGTJ-UHFFFAOYSA-N 286.376 -0.011 50 20 CBGD Cn1cc(C(=O)NN=C2CCN(CCO)CC2)cn1 819808157 LBUQHZUPXOANMB-UHFFFAOYSA-N 265.317 -0.406 50 20 CBGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NNC(C)=O 822164369 XAHUCCFQOPZERI-JTQLQIEISA-N 291.373 -0.252 50 20 CBGD COCCN(C)NC(=O)/C=C1\SCC(=O)N1C 822844078 YUSQEGAAXLVETK-POHAHGRESA-N 259.331 -0.358 50 20 CBGD CC(C)(CCC(=O)NNC(=O)N1CCOCC1)[N+](=O)[O-] 822853872 AESLGZNSBVTJDR-UHFFFAOYSA-N 288.304 -0.105 50 20 CBGD CC(C)CCC(=O)NNC(=O)Cn1cc(C(=O)O)nn1 826839968 KAFHFSIISMZUTQ-UHFFFAOYSA-N 283.288 -0.440 50 20 CBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CC=C(C#N)CC1 831487592 CGOMWOWAQKXEQG-VIFPVBQESA-N 271.342 -0.004 50 20 CBGD CC(C)C[C@H](C(N)=O)C(=O)NNC(=O)c1ccccn1 839458934 XWVDBPZOGGXJPG-SECBINFHSA-N 278.312 -0.010 50 20 CBGD C[C@H](CCO)N(C)CC(=O)NNC(=O)C(C)(C)C 844450843 QHPVTMIENLDLQH-SECBINFHSA-N 259.350 -0.117 50 20 CBGD COc1ccc(NNC(=O)[C@@H]2CCS(=O)(=O)N2)cc1 846634556 ZFRGOGWNWDWHCU-JTQLQIEISA-N 285.325 -0.170 50 20 CBGD COCCN(C)NC(=O)Cn1nnc2c1CCCC2 848056450 AOGLFLUHWOKEJX-UHFFFAOYSA-N 267.333 -0.234 50 20 CBGD CCCN1CC[C@H](NC(=O)NNC(=O)c2cnn(C)c2)C1 852632217 RLRQMCQSDMOSCB-NSHDSACASA-N 294.359 -0.152 50 20 CBGD Cc1cnc2nc(C(=O)NNC(=O)C(C)C)nn2c1 854214025 DKXWAOWKJFGSSK-UHFFFAOYSA-N 262.273 -0.150 50 20 CBGD CCS(=O)(=O)NCC(=O)NNc1ncc(F)cc1F 857533033 FLUQXDDPESBPOO-UHFFFAOYSA-N 294.283 -0.258 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2ccccc2F)N1 858088104 QBWXQGGECNEOCJ-JTQLQIEISA-N 294.286 -0.065 50 20 CBGD COC(=O)[C@@H](CC1CC1)NC(=O)c1cccc(B(O)O)c1 863886437 ZPBJLDHYUFIAEP-GFCCVEGCSA-N 291.112 -0.562 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1cn[nH]c1 863927921 VGDUCLVQNWGJPC-WPRPVWTQSA-N 266.301 -0.085 50 20 CBGD CC[C@]1(C(=O)NNc2ncncc2F)CCNC1=O 868541717 WVKAZFYMECWQMF-NSHDSACASA-N 267.264 -0.025 50 20 CBGD COCCOCC(=O)NNC(=O)c1ncc(C)cc1OC 869906727 QLLKBSNXALNEJL-UHFFFAOYSA-N 297.311 -0.177 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1CCCCS1(=O)=O 887146558 CKAWFCLQFRKJJZ-SNVBAGLBSA-N 286.353 -0.095 50 20 CBGD C[C@@H](Cc1cnn(C)c1)C(=O)NN(C)C[C@@H](C)O 910149949 OHWBXVIKGKVQLA-VHSXEESVSA-N 254.334 -0.058 50 20 CBGD CO[C@@H](C(=O)NNC(=O)CN1CCCC1=O)C(C)C 913731980 CVESQTDIFLSCNK-LLVKDONJSA-N 271.317 -0.573 50 20 CBGD CCOCCCNC(=S)NNC(=O)COCC 920437102 NVSJZOLCGLNVGC-UHFFFAOYSA-N 263.363 -0.055 50 20 CBGD CCOCC(=O)NNC(=O)NCc1nccn1C 1116016203 QZTINJVCAYWEOO-UHFFFAOYSA-N 255.278 -0.713 50 20 CBGD O=C(CCO)NN=C1C(=O)Nc2ccc(F)cc21 1116205227 NVYYRYMMIFQQLE-UHFFFAOYSA-N 251.217 -0.020 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)c1cccn1C 1118218950 PQCAKVRZZQHLBB-DTWKUNHWSA-N 279.296 -0.220 50 20 CBGD CCOCCO[C@@H](C)C(=O)N1CC[C@H](B(O)O)C1 1118915596 IMDZVRQVGYGDHL-UWVGGRQHSA-N 259.111 -0.497 50 20 CBGD CC(=O)NNC(=O)c1ccc(CNS(C)(=O)=O)o1 1254955827 OUZFPDXDFWWHQI-UHFFFAOYSA-N 275.286 -0.890 50 20 CBGD C[C@H](NC(=O)NNC(=O)C1CCC1)c1nnnn1C 1263759986 RWJWUQHJHRNOGO-LURJTMIESA-N 267.293 -0.598 50 20 CBGD Cc1cc(NNC(=O)[C@@H](C)S(C)(=O)=O)ncn1 1318527481 AYMFNUNZGKRULG-SSDOTTSWSA-N 258.303 -0.339 50 20 CBGD Cc1cc(NNC(=O)c2cn(C)c(=O)nc2O)nc(C)n1 1318661896 QQJNSJVYEGGXRT-UHFFFAOYSA-N 290.283 -0.350 50 20 CBGD Cc1nnc(NNC(=O)[C@@H]2CO[C@@H](C)C2)nc1O 1321656336 NOJQBIGURKAZSH-FSPLSTOPSA-N 253.262 -0.246 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@]1(C)CCCO1 1323754036 INKJORRDAKAGGV-SNVBAGLBSA-N 259.262 -0.941 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1CCc2nncn2C1 1324909367 AHNAGEUZKAVUDH-VIFPVBQESA-N 296.331 -0.793 50 20 CBGD CCCNC(=O)CCC(=O)N1CC[C@@H](B(O)O)C1 1329216213 UWYFIFQLNGNSJT-SECBINFHSA-N 256.111 -0.632 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H](C)Sc1nncn1C 1332176073 TXCQZVZTJGDYRV-YUMQZZPRSA-N 273.362 -0.361 50 20 CBGD C#CC(=O)NCCSSCCNC(=O)C#C 1335146594 QIPDGXMZFRYYHI-UHFFFAOYSA-N 256.352 -0.133 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1337267381 JJDAFHLLNCREEQ-XHNCKOQMSA-N 273.358 -0.495 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccncc1F 1339432408 QWUGZCIXURKFRY-UHFFFAOYSA-N 268.248 -0.494 50 20 CBGD CN(C)N(C(=O)[C@@]1(F)CCOC1)[C@H]1CCS(=O)(=O)C1 1342849061 ARASERAGHOQMNE-GXSJLCMTSA-N 294.348 -0.393 50 20 CBGD O=C(O)C1=NO[C@H](C(=O)NNC(=O)c2ccc[nH]2)C1 1574644180 PBMYVJUPYPEYDO-ZETCQYMHSA-N 266.213 -0.995 50 20 CBGD CC(=O)NNS(=O)(=O)c1c(C)oc(C)c1C(=O)O 1589150087 JUFMZFABFGNDSU-UHFFFAOYSA-N 276.270 -0.076 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccc(C(=O)O)n1C 1593457663 YBFFSZBQXSJRMM-ZETCQYMHSA-N 255.274 -0.319 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@H]1CC(C(=O)O)=NO1 1594711271 NWUPIJNKLAPUMO-SECBINFHSA-N 292.251 -0.999 50 20 CBGD Cc1nnc(NNC(=O)CCCCC(=O)O)nc1O 1600798693 VEJOZVQLYQNQNZ-UHFFFAOYSA-N 269.261 -0.026 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCOC12CCCC2 1601552994 QIOYFDKTJTVXRA-SSDOTTSWSA-N 271.273 -0.497 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H]1CC=C(C(=O)O)C1 1608479752 XHCZFOAYENXWIB-QMMMGPOBSA-N 279.256 -0.473 50 20 CBGD COC(=O)NNS(=O)(=O)c1ccc(C(=O)O)cc1 16129842 WWLUILPTCSDVFX-UHFFFAOYSA-N 274.254 -0.066 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@H]1COCCO1 73844022 BCWIAQHGFIUVTE-SECBINFHSA-N 253.258 -0.799 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1COc2ccccc2C1 172160760 ZWXNEOXSYZSXPV-NSHDSACASA-N 277.324 -0.053 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCN1CCCS1(=O)=O 269446720 BARZNYZOOUOYBO-MDZDMXLPSA-N 287.341 -0.418 50 20 CBGD C[C@H](C(=O)NN(C)C(N)=O)n1nnnc1C(C)(C)C 272147815 FSMMTMVYPYZHNP-ZCFIWIBFSA-N 269.309 -0.427 50 20 CBGD COC[C@@H](CNC(=O)NNC(=O)c1ccccc1O)OC 272923444 KMSOALDTQFHAEJ-SECBINFHSA-N 297.311 -0.002 50 20 CBGD O=C(NNC(=O)[C@@H]1CC[C@@H](C(=O)O)O1)c1ccc[nH]1 276238464 ZYYPRBJQGUEVHH-YUMQZZPRSA-N 267.241 -0.592 50 20 CBGD CC(C)(C)C(=O)NCCC(=O)NNC(=O)C(C)(C)O 276258644 MXOYVQIYQHOGIZ-UHFFFAOYSA-N 273.333 -0.543 50 20 CBGD CO/N=C/C(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C 290315063 CLMYRXITGCVHKC-NYYVKIQXSA-N 288.304 -0.321 50 20 CBGD COC(=O)NCCC(=O)NNc1ccnc(N(C)C)n1 491476397 KHHYZWWNXHDZNR-UHFFFAOYSA-N 282.304 -0.268 50 20 CBGD COCCN(CCC#N)C(=O)c1ccc(B(O)O)cc1 584941889 CVCBACYADLGPHI-UHFFFAOYSA-N 276.101 -0.631 50 20 CBGD C[C@H](CNC(=O)c1ccc(B(O)O)cc1)c1nncn1C 584979599 ZEPZJLMQZWRBTG-SECBINFHSA-N 288.116 -0.972 50 20 CBGD CO[C@@H]1COCC[C@@H]1CNC(=O)c1cccc(B(O)O)c1 584997596 IBBNDEFRFREJDT-DGCLKSJQSA-N 293.128 -0.852 50 20 CBGD C[C@@H]1C[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)CC[C@@H]1O 585006928 RQPSEGQVOALHEW-JQEORGNBSA-N 295.119 -0.215 50 20 CBGD CO[C@@]1(C)C[C@H]1NC(=O)c1cc(B(O)O)ccc1F 585007951 DIOUUPSLUCFMQS-PWSUYJOCSA-N 267.065 -0.587 50 20 CBGD Cc1nnc(CN(C)C(=O)c2ccc(B(O)O)cc2)s1 585008230 GWDQXLJKQBOZDO-UHFFFAOYSA-N 291.141 -0.201 50 20 CBGD OC[C@H](CC(F)(F)F)NCc1ccc(B(O)O)cc1F 585031764 JLUSKXJFOBVWAN-VIFPVBQESA-N 295.041 -0.092 50 20 CBGD C[C@@H](C(=O)NNC(=O)CC(F)(F)F)N1CCN(C)CC1 725889479 VTIUGJBLYBVVRD-QMMMGPOBSA-N 296.293 -0.278 50 20 CBGD CC(=O)NNC(=O)CC1(CC(=O)NNC(C)=O)CCCC1 729856710 UZIYAYOCENYYFN-UHFFFAOYSA-N 298.343 -0.338 50 20 CBGD CCNC(=O)NNC(=O)CN1Cc2ccccc2C1=O 729968210 CMZVSTGDLLDALW-UHFFFAOYSA-N 276.296 -0.007 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNc1ccnc(N(C)C)n1 740103245 YCIBCNCYWMWRGI-SSDOTTSWSA-N 266.305 -0.490 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1cccnc1 748265309 DJZAFWIJOJHGDZ-JTQLQIEISA-N 296.327 -0.037 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 759749101 NRCFKUQEZVSNAN-YUMQZZPRSA-N 286.332 -0.604 50 20 CBGD N=C1NC(=O)[C@H](CC(=O)NNc2ncc(F)cn2)S1 762105990 PHCULIGSNKGGRQ-YFKPBYRVSA-N 284.276 -0.385 50 20 CBGD COc1nccnc1NNC(=O)CN1CCOCC1 764466060 VIMTYSQBZFUAQZ-UHFFFAOYSA-N 267.289 -0.740 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)N1CCC(C)CC1 767888206 PBKMXSIYLHXDJH-UHFFFAOYSA-N 293.327 -0.262 50 20 CBGD O=C(CO)NNC(=O)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41 795238627 LJPKTKMUFKJAKY-NVLGUBOKSA-N 262.309 -0.480 50 20 CBGD CCCCNC(=O)NNC(=O)Cc1n[nH]c(C)n1 823763323 STGHNTFOKKURSW-UHFFFAOYSA-N 254.294 -0.214 50 20 CBGD CC(C)(C)n1nnc(CC(=O)NNC(=O)NCC2CC2)n1 823804942 UMSYDWKESQTMIF-UHFFFAOYSA-N 295.347 -0.289 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NNC(=O)C1CCCC1 826623364 CZNXCBACLZFDCZ-WPRPVWTQSA-N 298.343 -0.037 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC(C)(O)CC1 827269155 VMKNIDHIAQRGQY-NXEZZACHSA-N 285.344 -0.001 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)COCC1CCCC1 836249074 KAYGHVMZZWSMRQ-UHFFFAOYSA-N 285.344 -0.135 50 20 CBGD O=C(NNc1ncccc1F)[C@@H]1CCS(=O)(=O)N1 846125072 ODLRRTFUPDDECQ-ZETCQYMHSA-N 274.277 -0.645 50 20 CBGD C[C@H](O)C[C@H]1COCCN1S(=O)(=O)CCl 849387664 VLLQCYIGGLJNNB-YUMQZZPRSA-N 257.739 -0.016 50 20 CBGD COC(=O)c1oc(S(=O)(=O)NNC(C)=O)cc1C 853023748 JZCZZLHSPCSOOR-UHFFFAOYSA-N 276.270 -0.296 50 20 CBGD CNC(=S)N(C)NC(=O)C1(n2cnnn2)CCCCC1 854928226 ZIDPUUCJGRCJFZ-UHFFFAOYSA-N 297.388 -0.200 50 20 CBGD O=C(NNC(=O)c1cc(O)nc(C2CC2)n1)c1cc[nH]n1 855355869 IRUXTTQEHIGHST-UHFFFAOYSA-N 288.267 -0.143 50 20 CBGD CCn1ncc(Cl)c1C(=O)NNC(=O)CN(C)C 857110522 WJCZDFAIRXVPAI-UHFFFAOYSA-N 273.724 -0.121 50 20 CBGD C=C(Cl)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858232131 LYPHSTASIDRZOM-LURJTMIESA-N 260.681 -0.652 50 20 CBGD CC(C)O[C@H]1C[C@@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858531658 IJVTXFWJRAGKMI-KXUCPTDWSA-N 298.343 -0.449 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2cnn(CCF)c2)N1 861474805 ONTVRBAQGBUTMG-QMMMGPOBSA-N 298.278 -0.716 50 20 CBGD COC(=O)[C@H]1C[C@@H](NCc2cccc(B(O)O)c2)C1 863891820 DAQMVTLHVHLVPD-KLPPZKSPSA-N 263.102 -0.592 50 20 CBGD O=C(/C=C\CN1CCOCC1)NN=c1cc[nH]cc1 867284914 UXLFAROJNQVUQG-UPHRSURJSA-N 262.313 -0.165 50 20 CBGD C#CCCCC(=O)NNC(=O)CCN1CCCC1=O 887143430 YWUVMBLCZKPICH-UHFFFAOYSA-N 265.313 -0.050 50 20 CBGD OC[C@@H](C[C@H]1CCCO1)NCc1ccccc1B(O)O 895749526 SKEWXBZXLXFVHW-CHWSQXEVSA-N 279.145 -0.614 50 20 CBGD COCc1cn(CC(=O)NNC(=O)c2cccs2)nn1 900497051 UURUTSGFKMIJAJ-UHFFFAOYSA-N 295.324 -0.053 50 20 CBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NN=c1cc[nH]cc1Cl 1123692084 OXIZXRASMSGJEB-CABZTGNLSA-N 295.774 -0.012 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCNC(=O)C1 1319666654 DOQFHUJUPGZRCX-SSDOTTSWSA-N 265.273 -0.995 50 20 CBGD Cc1cc(NC(=O)C(=O)NNC(=O)CC(C)C)n(C)n1 1320231053 LVQCLMVANQNICB-UHFFFAOYSA-N 281.316 -0.139 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNc1ccc(-n2ccnc2)nn1 1323250580 ORHAQMFSZFVAOO-ZETCQYMHSA-N 290.287 -0.838 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)CC[S@](=O)C1 1324629397 NYRDBQYHHGBKMI-UGZDLDLSSA-N 287.385 -0.756 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)c1cccc[n+]1[O-] 1326385030 SQBDSHAIFCOJEY-UHFFFAOYSA-N 272.264 -0.281 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H]1CCc2nnnn2CC1 1326739150 KCUYGRNDDFTXIV-QMMMGPOBSA-N 297.388 -0.471 50 20 CBGD N#Cc1cccc(NNC(=O)CN2C(=O)CNC2=O)c1 1329351674 YCAXEPBXGKOOSU-UHFFFAOYSA-N 273.252 -0.447 50 20 CBGD Cn1cncc1CCC(=O)NNC(=O)c1cn[nH]c1 1330108237 NQMHGTXIKOGIJV-UHFFFAOYSA-N 262.273 -0.463 50 20 CBGD C#C[C@H](CC)NC(=O)NNC(=O)C(=O)NC1CC1 1330704670 RQNQYIIOHZQKBT-SSDOTTSWSA-N 252.274 -0.993 50 20 CBGD C#CCCCC(=O)NNC(=O)CO[C@@H]1CCOC1 1333573886 HTBPRUGSERQWHZ-SNVBAGLBSA-N 254.286 -0.257 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCCC(F)F)N1 1334345657 UHPALPYGKUURMG-LURJTMIESA-N 278.259 -0.359 50 20 CBGD CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc(=O)n(C)c1 1342586651 NDDXGRFHBWESRI-UHFFFAOYSA-N 294.311 -0.483 50 20 CBGD N[C@@H](CO)C(=O)NNC(=O)CCCc1ccccc1 1574263760 GOISIGBEYLIXLC-NSHDSACASA-N 265.313 -0.524 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(OC2CNC2)CC1 1576929523 QYDPVJWPCJNOLQ-JTQLQIEISA-N 298.387 -0.615 50 20 CBGD COc1ccccc1C(=O)NNC(=O)C[C@H](O)CN 1579297372 XYOBUBOVQYBAAP-QMMMGPOBSA-N 267.285 -0.834 50 20 CBGD O=C(NNC(=O)[C@H]1CC(c2ccccc2)=NO1)[C@H]1CCN1 1580732799 JTNMJLJJSKCPJV-ZYHUDNBSSA-N 288.307 -0.311 50 20 CBGD C[C@H](CNC(=O)NNC(=O)C1CCOCC1)C(=O)O 1589055858 DNAZITASSFILLB-SSDOTTSWSA-N 273.289 -0.536 50 20 CBGD Cn1cc(C(=O)C(=O)NNc2ncccc2C(=O)O)cn1 1594525549 HVCDLPIWLYZKPH-UHFFFAOYSA-N 289.251 -0.161 50 20 CBGD O=C(O)c1cnc(C(=O)NNC(=O)c2ccccn2)cn1 1595266430 MFDYWNWWIRUDAX-UHFFFAOYSA-N 287.235 -0.355 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@]1(C)C(=O)O 1599925873 YWJOEPGTKKXWEH-XPTSAGLGSA-N 291.112 -0.451 50 20 CBGD Cc1nnc(NNC(=O)c2ccc(C(=O)O)n2C)nc1O 1600798587 NKCMTLXEVRTLRU-UHFFFAOYSA-N 292.255 -0.321 50 20 CBGD CN(C)CC(=O)NNC(=O)CNC(=O)CC1CCCC1 113427940 BXVHWCOZYKVQQW-UHFFFAOYSA-N 284.360 -0.608 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CN(Cc2ccccc2)CCO1 131945680 AYJNWYSGDBPYDK-GFCCVEGCSA-N 292.339 -0.152 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1ccc(C#N)cc1 155115372 JNSFFUWYMZSTOK-MRVPVSSYSA-N 282.325 -0.061 50 20 CBGD COCCCNC(=O)NNC(=O)Cc1cccnc1 171410331 FASAONJCIRJYBI-UHFFFAOYSA-N 266.301 -0.009 50 20 CBGD COc1cccc(NNC(=O)NCC(=O)N(C)C)n1 272419277 MVMBLEVMHUEHEK-UHFFFAOYSA-N 267.289 -0.196 50 20 CBGD CCOC(=O)NCCC(=O)NNC(=O)NCCCOC 299236970 OICKELRNPRPURK-UHFFFAOYSA-N 290.320 -0.511 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@H]1CC(=O)N(C)C1=O 490970273 GPZAVGAZKJNOGL-UAPHAKCISA-N 251.242 -0.696 50 20 CBGD C[C@@H](O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C 492510745 OLRNNFRNQBHIFV-MRVPVSSYSA-N 289.332 -0.181 50 20 CBGD CON=CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C 496715118 VZZUJKPARNJVBN-UHFFFAOYSA-N 288.304 -0.319 50 20 CBGD CN(CCN1CCCC1)C(=O)c1cc(B(O)O)ccc1F 584943047 IJJFLNORGCDHHB-UHFFFAOYSA-N 294.135 -0.327 50 20 CBGD COC[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584945033 FHWQZNKDZIHKRV-LLVKDONJSA-N 277.129 -0.135 50 20 CBGD C[C@H](O)C[C@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584974543 VZYIHJUUXVMIRG-YUMQZZPRSA-N 269.081 -0.605 50 20 CBGD C[C@H](O)C[C@@H](C)CNCc1cccc(B(O)O)c1 585025339 RLKQOCGZMDPVGP-MNOVXSKESA-N 251.135 -0.137 50 20 CBGD CC(C)C(=O)N1CC[C@@H](NCc2ccccc2B(O)O)C1 585030711 IMWRJCHNTFSOCD-CYBMUJFWSA-N 290.172 -0.287 50 20 CBGD C[C@H]1C[C@@H](NCc2ccc(B(O)O)o2)c2ncnn21 585046780 YFOGCFDWCORYSF-IONNQARKSA-N 262.078 -0.654 50 20 CBGD O=C(NCB(O)O)c1cc(Cl)ccc1[N+](=O)[O-] 585053586 ATBHPCKDBOTZFR-UHFFFAOYSA-N 258.426 -0.010 50 20 CBGD COC[C@H](C)CS(=O)(=O)N1CC[C@@H](B(O)O)C1 585058556 ISKIUCJPLZKNCI-DTWKUNHWSA-N 265.140 -0.853 50 20 CBGD CC(C)CN1C[C@H](C(=O)N2CC[C@H](B(O)O)C2)CC1=O 585077892 URMCOIRAPDXKNR-MNOVXSKESA-N 282.149 -0.434 50 20 CBGD CN(CC(=O)NNc1ncnc2[nH]cnc12)C(=O)O 739625611 RUUJIUGXYXIJLO-UHFFFAOYSA-N 265.233 -0.594 50 20 CBGD CNc1ccc(C(=O)NNC(=O)CO)cc1[N+](=O)[O-] 753438004 KYEMZHNGVKBVMQ-UHFFFAOYSA-N 268.229 -0.610 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCS1(=O)=O)C1CC1 753768884 HUNNKMITNJYTEO-QMMMGPOBSA-N 260.315 -0.489 50 20 CBGD Cc1nonc1C(=O)NNC(=O)Cc1cc[nH]n1 755279123 KMSPIDVBAYEMMO-UHFFFAOYSA-N 250.218 -0.895 50 20 CBGD C[C@@H](O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 765459972 ILKVWTWPTWZIGL-ZCFIWIBFSA-N 253.214 -0.263 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc(=O)n1C 772220362 YOEUSMWNNSVQKG-MRVPVSSYSA-N 295.295 -0.512 50 20 CBGD O=C(NNc1cccnn1)[C@H]1CCCCS1(=O)=O 773912947 KQBKQXQPHUAMDG-MRVPVSSYSA-N 270.314 -0.113 50 20 CBGD CC(=O)c1cccc(O[C@@H](C)C(=O)NNC(=O)CO)c1 777782657 IZUKJPBGSSHWAB-VIFPVBQESA-N 280.280 -0.204 50 20 CBGD O=C(NNC(=O)[C@H](O)c1ccccn1)c1ccccn1 791291323 UHJGBVWGNJLSDB-LLVKDONJSA-N 272.264 -0.029 50 20 CBGD CCOC(=O)[C@@H](CC(=O)NNC(=O)NCC1CC1)C(C)=O 823810470 NRLTVLGFTNCBRD-JTQLQIEISA-N 299.327 -0.115 50 20 CBGD COc1ccccc1C(=O)NCC(=O)NN(C)[C@H](C)CO 823987486 JJXGGDQKGCLYNM-SNVBAGLBSA-N 295.339 -0.231 50 20 CBGD COC(=O)CCCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 825566758 ODWFKSLCAXBORV-IUCAKERBSA-N 287.316 -0.305 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCC(=O)N(C)C 825785080 DXVAINKVTKVZMH-RKDXNWHRSA-N 286.332 -0.780 50 20 CBGD CCCN1C[C@@H](C(=O)NNC(=O)c2c[nH]nc2C)CC1=O 839666228 MQQCHBUUFOENQJ-VIFPVBQESA-N 293.327 -0.262 50 20 CBGD Cn1nc(C2CC2)nc1CC(=O)NNC(=O)NCC1CC1 843775133 PZUACADKIZKUJD-UHFFFAOYSA-N 292.343 -0.025 50 20 CBGD O=S(=O)(CCl)NC[C@@H](O)COCC1CC1 849376634 SRUMSUQPVPEGOE-MRVPVSSYSA-N 257.739 -0.110 50 20 CBGD CCOC1CC(C(=O)NNC(=O)c2cc[nH]n2)C1 855356313 OWSZSZAPHKFLLL-UHFFFAOYSA-N 252.274 -0.014 50 20 CBGD O=C(CCCCN1CCOCC1)NNC(=O)c1cc[nH]n1 855356800 RYHZWWYKHWWREA-UHFFFAOYSA-N 295.343 -0.327 50 20 CBGD C[C@]1(CNC(=O)NC(CO)CO)C[C@H]1Br 856956827 VKHMYLKZGPYSAG-VXNVDRBHSA-N 281.150 -0.188 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2ccsc2)N1 858141872 UPQVMVNYLUGHME-MRVPVSSYSA-N 282.325 -0.143 50 20 CBGD C[C@@]1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCOC1 858217066 JPPSAYFAOROWPX-PELKAZGASA-N 284.316 -0.978 50 20 CBGD Cn1cc(Cl)c(C(=O)NNC(=O)C(C)(C)O)n1 861205416 CGDMCSCWLGWRPI-UHFFFAOYSA-N 260.681 -0.395 50 20 CBGD Cc1cc(=NNC(=O)[C@@H]2CN(C)CCO2)cc[nH]1 862513803 VRNSHRZFGSAADL-NSHDSACASA-N 250.302 -0.414 50 20 CBGD C[C@H]1CN=C(NC(=O)c2ccc(B(O)O)cc2)S1 863884307 HBWFMXFJLRLPHY-ZETCQYMHSA-N 264.115 -0.413 50 20 CBGD Cc1cc(=NNC(=O)NCC[S@](C)=O)cc[nH]1 875311690 IPDQULZKOXKWDZ-KRWDZBQOSA-N 256.331 -0.183 50 20 CBGD C#CCCCC(=O)NNC(=O)CN(CC)C(=O)C=C 887149211 NPTDFJMMVVTHGL-UHFFFAOYSA-N 265.313 -0.028 50 20 CBGD CNc1ncc(C(=O)NNC(=O)N2CCOCC2)s1 900427233 VQLOLBQXHIKRJK-UHFFFAOYSA-N 285.329 -0.129 50 20 CBGD CN1CCCC[C@H](C(=O)N2CC[C@@H](B(O)O)C2)C1=O 902552472 MPDKLTBSVMISFX-ZJUUUORDSA-N 268.122 -0.680 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2CCc3c[nH]nc3C2)nc1O 1116145193 PSSLXVOUXBNYAO-ZETCQYMHSA-N 289.299 -0.143 50 20 CBGD Cc1cc(NC(=O)NNC(=O)CCO)c(=O)n(C)c1 1116635889 OVGRHPXBQAXTPD-UHFFFAOYSA-N 268.273 -0.771 50 20 CBGD Cc1nn[nH]c1C(=O)NNc1cc(Cl)nc(N)n1 1116921326 DEEVQKIAIYQQMU-UHFFFAOYSA-N 268.668 -0.104 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCCC(N)=O 1118283700 HLIWRIPVWIYNIJ-JGVFFNPUSA-N 257.290 -0.786 50 20 CBGD NC(=O)C(=O)NN=Cc1ccc(-n2cncn2)c(F)c1 1317750190 ZXJXTUDJHYINKS-UHFFFAOYSA-N 276.231 -0.658 50 20 CBGD CCc1ocnc1C(=O)NNc1ccc(C(N)=O)nn1 1319141394 BRYGPQKGNGTEBJ-UHFFFAOYSA-N 276.256 -0.117 50 20 CBGD NC(=O)c1cccc(C=NNC(=O)C(=O)NC2CC2)c1 1319492758 YSWWIUUKTPZSJF-UHFFFAOYSA-N 274.280 -0.486 50 20 CBGD COC[C@@H](C)NC(=O)NNC(=O)c1cnn(C)c1 1319723439 LPRITFFFCZIOML-SSDOTTSWSA-N 255.278 -0.601 50 20 CBGD O=C1C[C@H](C(=O)NNC(=O)NCC(F)(F)F)CCN1 1326979064 REFDFFQMOPJJBH-RXMQYKEDSA-N 282.222 -0.595 50 20 CBGD O=C(NNC(=S)NC[C@H]1CCOC1)c1cc[nH]n1 1327385356 BKGLIISTDKIKRG-SSDOTTSWSA-N 269.330 -0.445 50 20 CBGD Cn1ccc(NNC(=O)[C@H]2CCCS2(=O)=O)n1 1329088728 HKCAEZZLIHIDIP-SSDOTTSWSA-N 258.303 -0.560 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccc([C@@H](C)O)cc1 1330489888 RWRZOJSPYWQSGD-MRVPVSSYSA-N 295.295 -0.257 50 20 CBGD CCS(=O)(=O)CC(=O)NNC(=O)CC(F)(F)F 1334459352 SGGIWNJBQGSOSF-UHFFFAOYSA-N 276.236 -0.479 50 20 CBGD O=C(/C=C/CN1CCOCC1)NNC(=O)C1CCOCC1 1335190029 GDDOKCHCEDABHH-OWOJBTEDSA-N 297.355 -0.551 50 20 CBGD Cc1n[nH]c(C)c1CC(=O)NNc1nccn(C)c1=O 1342427733 PZNXFDXIKGSWMO-UHFFFAOYSA-N 276.300 -0.194 50 20 CBGD CS(=O)(=O)c1ccc(NNC(=O)C[C@@H]2CC(=O)N2)cc1 1347732898 OODIBUNLBMJWQB-VIFPVBQESA-N 297.336 -0.188 50 20 CBGD O=C(CCc1cccc(O)c1)NNC(=O)[C@H]1COCCO1 1548660949 GHMSDDCOIMHZIJ-GFCCVEGCSA-N 294.307 -0.112 50 20 CBGD CCC(=O)NNC(=O)Nc1nn(C)cc1-c1nn[nH]n1 1590366072 VLGDLVCLQRDEEH-UHFFFAOYSA-N 279.264 -0.837 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1cccnc1C(=O)O 1590884200 OGWYZVCPYUCDOI-UHFFFAOYSA-N 296.239 -0.504 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cn1 1591003677 MHJSEYIOMRMLMU-UHFFFAOYSA-N 276.260 -0.822 50 20 CBGD COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)NCC(=O)O)C2 1599240456 DNZPVCVZMMFOPD-QWRGUYRKSA-N 298.343 -0.001 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)N2CC[C@@](O)(C(=O)O)C2)cn1 1600944970 CRTBOZLMNODLME-FSIMMPEJSA-N 290.279 -0.625 50 20 CBGD O=C(Nc1ccc(C(=O)O)nc1)c1ccc(B(O)O)cc1 1601599684 KRQPRWBRRBTYPZ-UHFFFAOYSA-N 286.052 -0.288 50 20 CBGD O=C1C[C@@H](C(=O)NNc2cccc(C(=O)O)c2F)N1 1602630799 CSRHEABKRRAWNZ-ZETCQYMHSA-N 267.216 -0.145 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CCC1)[C@H]1CCCCO1 1605814534 GAWZPDVCLXSAHP-MRVPVSSYSA-N 270.285 -0.042 50 20 CBGD CN(C)C(=O)[C@@H](NNC(=O)C(=O)O)c1ccccc1 1610093912 SCWXLNNPGQNWOO-VIFPVBQESA-N 265.269 -0.479 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccoc2CC(=O)O)cn1 1610600421 OLWWWKGZGBQIKO-UHFFFAOYSA-N 292.251 -0.285 50 20 CBGD Cn1cc(C(=O)O)cc1C=NNC(=O)CN1CCCC1=O 1776024890 GDJRXMJATOELMQ-UHFFFAOYSA-N 292.295 -0.204 50 20 CBGD COCCNC(=O)/C(C#N)=C/c1c(C(=O)O)cnn1C 1776117875 KZEGBTNJCZELHP-VMPITWQZSA-N 278.268 -0.212 50 20 CBGD COCCNC(=O)/C(C#N)=C\c1cc(C(=O)O)nn1C 1776118141 UJHVSRFFVUIQRE-YVMONPNESA-N 278.268 -0.212 50 20 CBGD COCC(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841349814 PWPAJZCBDCKDAW-VIFPVBQESA-N 290.747 -0.564 50 20 CBGD O=C(NNC(=O)c1ccc(F)cc1)C(=O)NC1CC1 8392048 ZJABWCSWNFRRQJ-UHFFFAOYSA-N 265.244 -0.135 50 20 CBGD CC(C)NC(=O)NNC(=O)CNC(=O)c1ccco1 49477195 FBRBJXVNGXPDSK-UHFFFAOYSA-N 268.273 -0.252 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2ccc(C)[nH]c2=O)[nH]n1 151212452 QGWKJAFWPWXHPZ-UHFFFAOYSA-N 275.268 -0.210 50 20 CBGD CCc1nn(C)c(CC)c1S(=O)(=O)NNC(C)=O 163405618 LDYIVYLFXVKEDE-UHFFFAOYSA-N 274.346 -0.126 50 20 CBGD C#CCCCC(=O)NNC(=O)CNC(=O)c1ccco1 192102717 FVXLCAANOUBFDQ-UHFFFAOYSA-N 277.280 -0.040 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CCCOC1 263927976 PFYCKJAXFJPEME-SECBINFHSA-N 295.295 -0.417 50 20 CBGD CC[C@H](OC)C(=O)NNC(=O)CNC(=O)c1cccnc1 268895550 XUKZHDDXTUYHGB-JTQLQIEISA-N 294.311 -0.616 50 20 CBGD C=CCS(=O)(=O)CCNC(=O)NNc1ncccn1 272866140 QSNQGKFFJXQPTD-UHFFFAOYSA-N 285.329 -0.297 50 20 CBGD C=CCNC(=S)NNC(=O)CNCC(F)(F)F 281293731 RATSDINAPWTESK-UHFFFAOYSA-N 270.280 -0.180 50 20 CBGD C[C@@H](C(=O)NNC(=O)[C@@H]1CCCO1)n1cccn1 294784023 ZMYUDERUPCMAAT-IUCAKERBSA-N 252.274 -0.230 50 20 CBGD CC(=O)c1cc(C(=O)NNC(=O)N2CCOCC2)n(C)c1 299385636 PNCBGNDBLUMLKY-UHFFFAOYSA-N 294.311 -0.086 50 20 CBGD C[C@H]1CN(S(=O)(=O)CBr)C[C@@H]1O 306407007 WTOPVULAOQUFLF-WDSKDSINSA-N 258.137 -0.019 50 20 CBGD COC(=O)NCC(=O)NNc1ncncc1Cl 495512103 TVPZEDSPLZNFAG-UHFFFAOYSA-N 259.653 -0.071 50 20 CBGD O=C(NC[C@@H]1CCCC[C@@H]1O)c1ccc(B(O)O)c(F)c1 584951757 SHUXOVKEOKGWSX-GWCFXTLKSA-N 295.119 -0.214 50 20 CBGD CC[C@H](C)[C@H](O)CNC(=O)c1cc(B(O)O)ccc1F 584959730 KVIBQNVOVKZDNX-QPUJVOFHSA-N 283.108 -0.358 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCCC[C@H](CO)C1 584964151 ICWKLZLOYCIWRH-JTQLQIEISA-N 295.119 -0.260 50 20 CBGD C[C@@H](C[C@@H](C)O)NC(=O)c1cccc(B(O)O)c1 584972790 HDKJDQOGWSIXIZ-DTWKUNHWSA-N 251.091 -0.744 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCCO[C@@H](CF)C1 584998560 AOLHHWOWUAMGNY-LBPRGKRZSA-N 281.092 -0.433 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@H]2C[C@@H](O)CC[C@H]2C1 585000272 ITWIMEVFHFRKKQ-SCRDCRAPSA-N 289.140 -0.401 50 20 CBGD C[C@@H]1C[C@@H](NCc2ccc(B(O)O)o2)CCN1C 585026621 IUKBLHAHZACQOC-ZJUUUORDSA-N 252.123 -0.468 50 20 CBGD OCCC1(CNCc2ccc(B(O)O)o2)CCCC1 585026983 MEZWEBALCGHWLC-UHFFFAOYSA-N 267.134 -0.008 50 20 CBGD CNC(=O)C(C)(C)CNCc1ccccc1B(O)O 585029657 IJCQQKFKMIJGRX-UHFFFAOYSA-N 264.134 -0.772 50 20 CBGD C[C@@H]1CCN(CCNCc2ccc(B(O)O)cc2)C1 585034365 OZWYIGVRCDHJAV-GFCCVEGCSA-N 262.162 -0.202 50 20 CBGD C[C@H]1NC(=O)CC[C@H]1CNCc1ccccc1B(O)O 585045968 KWGAZFQYTMXOSU-MNOVXSKESA-N 276.145 -0.629 50 20 CBGD OC[C@@H](NCc1cccc(B(O)O)c1)[C@@H]1CCCOC1 585046053 LXZPFMBJJZNVBB-TZMCWYRMSA-N 279.145 -0.757 50 20 CBGD OC[C@@H](CNCc1cccc(B(O)O)c1)CC1CC1 585047722 UBTYUYQIVHHJQO-CYBMUJFWSA-N 263.146 -0.135 50 20 CBGD COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NCB(O)O)c1 585063438 ZDYICBZMOVMHCP-ONGXEEELSA-N 279.101 -0.065 50 20 CBGD CC1(C)C[C@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1 732893887 SKAVWRQSQUSBNN-VIFPVBQESA-N 282.344 -0.015 50 20 CBGD COC(=O)Cn1ccc(NC(=O)NNC(=O)OC)n1 743165868 ULXQCQQZAPLHLO-UHFFFAOYSA-N 271.233 -0.551 50 20 CBGD Cn1ccc(C(=O)NNC(=O)Cc2ccncc2)n1 747323578 AENWKMSEMBNSKQ-UHFFFAOYSA-N 259.269 -0.181 50 20 CBGD C[C@@H](C[S@](C)=O)NC(=O)NNc1ncccn1 753359818 SIMBZTYOWZKNPG-SKLCBMLGSA-N 257.319 -0.130 50 20 CBGD Cc1cc(C(=O)NNC(=O)CO)nn1[C@H](C)C1CC1 753443194 USRCQAUKOJSMNY-MRVPVSSYSA-N 266.301 -0.084 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)CC1(O)CCCC1 755286501 MLZOEIFUKBDUQY-UHFFFAOYSA-N 266.301 -0.205 50 20 CBGD CN(C)CC(=O)NN=Cc1cnc(N2CCOCC2)s1 755690053 UVEBJROFCHXQDO-UHFFFAOYSA-N 297.384 -0.009 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1cc(F)cc(Cl)c1 764421504 KXLXPGGDKIYQDK-UHFFFAOYSA-N 289.650 -0.443 50 20 CBGD CO[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)C(C)C 771291917 YGFWDNHXTFBNAP-VIFPVBQESA-N 271.317 -0.573 50 20 CBGD C=Cn1cc(C=NNC(=O)NCC(=O)OC)cn1 773079741 OZPXWEBCIIRTMK-UHFFFAOYSA-N 251.246 -0.210 50 20 CBGD O=C(CO)NNC(=O)Cc1ccc2c(c1)OCO2 777782768 MUEHBTSSQNWSQP-UHFFFAOYSA-N 252.226 -0.903 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CO[C@@H](C)C1 784150391 OREXSXKJBDBKCJ-IUCAKERBSA-N 285.344 -0.136 50 20 CBGD C=CCNC(=S)NNC(=O)C1(C(=O)NC)CC1 798304525 YKPKPXMPRPDREL-UHFFFAOYSA-N 256.331 -0.806 50 20 CBGD NC(=O)C(=O)NN=Cc1cn(CC(=O)O)c2ccccc12 799865569 SIQDNYVIAASSIW-UHFFFAOYSA-N 288.263 -0.339 50 20 CBGD COCCN(C)NC(=O)CCN1CCCS1(=O)=O 808074403 BPUYNKWKUXCKKX-UHFFFAOYSA-N 279.362 -0.979 50 20 CBGD CC(C)C(=O)N[C@@H](CO)C(=O)NN=c1cc[nH]cc1 813511704 OJDWSWLZTCJWPW-JTQLQIEISA-N 266.301 -0.920 50 20 CBGD CNC(=O)NNC(=O)[C@@](C)(OC)C(=O)OC(C)(C)C 823425614 YHPZUTPTRCWDFW-LLVKDONJSA-N 275.305 -0.307 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CCC(=O)c1cnn(C)c1 823927839 HGVXQYZUJUUCQW-VIFPVBQESA-N 268.317 -0.273 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccc2c(c1)NC(=O)CO2 823987758 LRLHBSCKNGYZPS-MRVPVSSYSA-N 279.296 -0.025 50 20 CBGD O=C(CCc1ccccc1)NNC(=O)[C@@H]1CCNC1=O 825090015 NABGGHHHSMXETP-LLVKDONJSA-N 275.308 -0.097 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)C[C@@H]2CCC(=O)N2)c1 826090070 VFJBWRRLGCNPHH-NSHDSACASA-N 286.291 -0.012 50 20 CBGD Cc1[nH]nc(C(=O)NNC(=O)[C@@H]2CCCCO2)c1O 833246778 RHTBIWHLPCJUJA-ZETCQYMHSA-N 268.273 -0.246 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1cnn(C)c1 843642229 FGQQONYYOJXPSF-GXSJLCMTSA-N 280.328 -0.075 50 20 CBGD COC(=O)C[C@H](C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843652436 JIFVRHAEZBCBJK-YIZRAAEISA-N 272.301 -0.242 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)COC(F)F 843655602 NKGXUHKZIISZMJ-WDSKDSINSA-N 252.217 -0.202 50 20 CBGD O=C(NNc1ccccc1)[C@@H]1CCS(=O)(=O)N1 845855759 PGGWOKXLEBQOFA-VIFPVBQESA-N 255.299 -0.179 50 20 CBGD CC1(C)CNC(=O)[C@H]1NS(=O)(=O)CBr 851818078 OOKLORKUJGSIAS-RXMQYKEDSA-N 285.163 -0.217 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@H]2NC(=O)CC[C@H]2C1 852497376 VFYMGTXEYKPMRE-WDEREUQCSA-N 296.371 -0.610 50 20 CBGD O=C(NCC(Cl)Cl)c1cnn(C[C@@H](O)CO)c1 854450948 OGPSBGGYLJAUSM-SSDOTTSWSA-N 282.127 -0.230 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H](C)CN1CCOCC1 854923343 RYFDDXWRNZQABB-VIFPVBQESA-N 274.390 -0.578 50 20 CBGD CC(=O)NNC(=O)[C@]1(C2CCCC2)CCNC1=O 858108686 FIZXKRHYDOORRX-LBPRGKRZSA-N 253.302 -0.150 50 20 CBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)CN1C1CC1 858288971 STAYNDWPPBYKRI-WCBMZHEXSA-N 292.343 -0.021 50 20 CBGD COC(=O)N(C)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 861656605 RNBFKSWCJPMFSP-QMMMGPOBSA-N 293.345 -0.613 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnc2ccnn12 862094656 OMRXGIAEORAOIT-DTWKUNHWSA-N 289.295 -0.085 50 20 CBGD CCCC[C@@H](NC(N)=O)C(=O)NNC(=O)c1cn[nH]c1 862474941 UBJXXKHBFQSZNX-MRVPVSSYSA-N 282.304 -0.602 50 20 CBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(N)nc1 863150359 SNWIVHAFHUFSHU-VIFPVBQESA-N 261.285 -0.217 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)N1 863203820 JECIJEPWRCEFEW-XKNYDFJKSA-N 296.396 -0.051 50 20 CBGD Cc1ccnc2nc(C(=O)NNC(=O)c3ccncc3)nn12 865930148 JZNGXRACXMRWCG-UHFFFAOYSA-N 297.278 -0.097 50 20 CBGD COCCOCC(=O)NNC(=O)[C@]1(C)CC1(F)F 869904755 BWWSQIQUQPVPRM-VIFPVBQESA-N 266.244 -0.158 50 20 CBGD CN1C(=O)CCC[C@H]1C(=O)NNC(=O)C1CCC1 906644144 JXNKCCKHKFBXAV-VIFPVBQESA-N 253.302 -0.055 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@]1(F)CCOC1 1117414681 KXRQBVIBTADQPJ-JTQLQIEISA-N 256.237 -0.392 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@H](C)c1nnnn1C 1263137363 DLSIRYIHMAEMOR-ZCFIWIBFSA-N 255.282 -0.743 50 20 CBGD O=C(NN=Cc1cccnc1)N[C@H]1CCS(=O)(=O)C1 1317976383 YUQWVCPZJCFUDS-JTQLQIEISA-N 282.325 -0.098 50 20 CBGD COC(=O)C(=O)NNC(=O)NC1CCN(C2CC2)CC1 1318882137 ISOMWCWYQCZEEJ-UHFFFAOYSA-N 284.316 -0.883 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1Cc2ccccc21 1318943968 ZRCSRCYDWVNSEK-VIFPVBQESA-N 277.280 -0.170 50 20 CBGD CNC(=O)c1ccc(C=NNC(=O)C(=O)OC)cc1 1319346998 VVWGFGKGWVABCZ-UHFFFAOYSA-N 263.253 -0.331 50 20 CBGD C[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)n1ccnc1 1321027044 IFCVVSUMYDNTGJ-MRVPVSSYSA-N 262.273 -0.443 50 20 CBGD C=CCNC(=S)NNC(=O)Cn1cc([C@H](C)O)nn1 1321626436 YYUCZAYSNJQROH-ZETCQYMHSA-N 284.345 -0.987 50 20 CBGD CCOC(=O)CN(C)CC(=O)NNC(=O)C1CC1 1322768847 ONVHLPLPTGPHDK-UHFFFAOYSA-N 257.290 -0.961 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1occ2c1CCOC2 1323517031 BITIDOJEYLIOMY-UHFFFAOYSA-N 295.295 -0.362 50 20 CBGD Cn1nncc1NNC(=O)CS(=O)(=O)C(C)(C)C 1324568845 PTBFNDHZOLZTKO-UHFFFAOYSA-N 275.334 -0.529 50 20 CBGD C[C@H](C(=O)NNC(=O)c1cnn(C)c1)n1cncn1 1325024432 XNOWLGXSLMSAAG-SSDOTTSWSA-N 263.261 -0.966 50 20 CBGD CCOc1nc(C(=O)NNC(=O)C(=O)NC(C)C)co1 1325723243 UWAOKQLYWAMRBA-UHFFFAOYSA-N 284.272 -0.641 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1cncn1C 1326348382 OIZOBAHHZKPRLI-MWLCHTKSSA-N 280.328 -0.075 50 20 CBGD CN1CCC(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 1331804482 XAZZDEISKRFXSZ-JTQLQIEISA-N 282.344 -0.856 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCO[C@@H](C)C1 1337295863 ZUMLZFVBHBGLNO-IUCAKERBSA-N 271.317 -0.527 50 20 CBGD Cc1ncccc1CC(=O)NNC(=O)CN1CCCC1=O 1354110782 JWQCRIXQJCWVEL-UHFFFAOYSA-N 290.323 -0.298 50 20 CBGD Cn1ncc(N)c1C(=O)NNc1ncncc1F 1580004954 NHFAJQOQCDAFDF-UHFFFAOYSA-N 251.225 -0.312 50 20 CBGD Nc1cc(F)ccc1C(=O)NNC(=O)c1cnn[nH]1 1580436566 COZMDMBNKHRRHT-UHFFFAOYSA-N 264.220 -0.399 50 20 CBGD C#CCOCCC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1588362654 NWBAOXOKSHPUJD-UHFFFAOYSA-N 287.283 -0.255 50 20 CBGD O=C(C[n+]1ccccc1)NN/C=C1/C=CC(C(=O)O)=N1 1776058260 RPJFCAUOSXCUKC-UHFFFAOYSA-O 273.272 -0.468 50 20 CBGD CNC(=O)NNC(=O)c1cc(C)nc2c1c(=O)[nH]n2C 48950642 MTFVBZWHIYVYIB-UHFFFAOYSA-N 278.272 -0.856 50 20 CBGD C#CCNC(=O)NNC(=O)COc1ccc(C#N)cc1 79264669 MRGUHKIDTWSWOT-UHFFFAOYSA-N 272.264 -0.099 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1ccc(F)nc1 266805237 DNMOUAWPSCIXPR-UHFFFAOYSA-N 268.248 -0.093 50 20 CBGD CC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 269325705 VLIHAASFNWGBMK-ZCFIWIBFSA-N 291.354 -0.418 50 20 CBGD CS(=O)(=O)C1(C(=O)NNC(=O)c2ccccn2)CCC1 279672710 OYXCFSHGVRVLGL-UHFFFAOYSA-N 297.336 -0.190 50 20 CBGD COC(=O)N(C)NC(=O)CNc1ccccc1C(N)=O 286526136 XWMWLLYZKKHUTM-UHFFFAOYSA-N 280.284 -0.073 50 20 CBGD C[C@@H]1C[C@H](NC(=O)c2cc(B(O)O)ccc2F)CCN1C 584950738 KQJPESBKKLPKOX-MWLCHTKSSA-N 294.135 -0.282 50 20 CBGD O=C(Nc1cc2n(n1)CCCC2)c1ccc(B(O)O)cc1 584988651 CLTFZRPGWPDONP-UHFFFAOYSA-N 285.112 0.152 50 20 CBGD C[C@H]1[C@H](C)CN1C(=O)c1ccc(B(O)O)c(F)c1 584992883 PQZRQTWZYBBWCJ-SFYZADRCSA-N 251.066 -0.014 50 20 CBGD C[C@H]1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)O1 585000208 ZWQNBUFHFQXATR-CABZTGNLSA-N 263.102 -0.336 50 20 CBGD O=C(NCCNCc1ccc(B(O)O)o1)c1cccs1 585022133 JIXFFVNAOCYAIC-UHFFFAOYSA-N 294.141 -0.460 50 20 CBGD CCn1nncc1CNCc1ccc(B(O)O)cc1 585050431 YNRMNSULJPPKDD-UHFFFAOYSA-N 260.106 -0.732 50 20 CBGD Cn1c(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cnc1Cl 585058223 BUDRVKDERHGNBX-ZCFIWIBFSA-N 293.541 -0.689 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1ccc[nH]1)N1C(=O)CCC1=O 727725788 BQZCSZMHAANEEZ-ZETCQYMHSA-N 278.268 -0.687 50 20 CBGD C[C@H]1COCCN1CCNC(=O)NNC(=O)C1CCC1 732464748 HYVXTDUAQCPQRT-JTQLQIEISA-N 284.360 -0.162 50 20 CBGD Cc1cc(NNC(=O)CN2CSCC2=O)ncn1 734254061 HSCGBCJKFKRVIZ-UHFFFAOYSA-N 267.314 -0.239 50 20 CBGD O=C(Cc1cc(O)nc(O)n1)NN=C1CCOC1 743448115 ZCZIFFBRIZDRIV-UHFFFAOYSA-N 252.230 -0.677 50 20 CBGD CCC1(CC)NC(=O)N(CC(=O)NNC(=O)N(C)C)C1=O 746012454 BZGSNWMBIMDRBG-UHFFFAOYSA-N 299.331 -0.601 50 20 CBGD CCC[C@H](O)CC(=O)NNC(=O)c1cnn(C)c1 750314132 IKOKBLLVUNKPOY-VIFPVBQESA-N 254.290 -0.268 50 20 CBGD NC(=O)C(=O)NN=CC1(CN2CCOCC2)CCCCC1 751130404 AEQGPSRNPRSXSP-UHFFFAOYSA-N 296.371 -0.144 50 20 CBGD CC[C@H]1CC[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)O1 756924753 OQPBZMUAYCHPJH-VHSXEESVSA-N 283.328 -0.286 50 20 CBGD COCC(=O)NNC(=O)Nc1cccc(C(N)=O)c1 761862211 QQHPJVHQVPBOMN-UHFFFAOYSA-N 266.257 -0.415 50 20 CBGD CNC(=O)CN(C)CC(=O)NNC(=O)c1cccc(C)c1 764185253 CTQMLHJPDWWZNV-UHFFFAOYSA-N 292.339 -0.566 50 20 CBGD Cc1cc(C(=O)NNC(=O)C[C@@H]2CCOC2)n[nH]1 765587584 NYZKSGKOCAINAC-QMMMGPOBSA-N 252.274 -0.094 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccn(C)c(=O)c1 770549208 MYVKPUUCXGJBGJ-UHFFFAOYSA-N 252.274 -0.309 50 20 CBGD CCNC(=O)NNC(=O)[C@H](CC(C)C)NC(C)=O 783576439 VSAKPLARCIJKAV-VIFPVBQESA-N 258.322 -0.113 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CCCOC(C)C 784611388 GYFPGLJBAYSSAS-UHFFFAOYSA-N 273.333 -0.136 50 20 CBGD CC(C)(C(=O)NNc1nc2ccccn2n1)S(C)(=O)=O 791258373 HDJBVIGGNSYNCD-UHFFFAOYSA-N 297.340 -0.004 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1n[nH]cc1[N+](=O)[O-] 802035756 IJNOCWGBGPNQNU-UHFFFAOYSA-N 291.227 -0.399 50 20 CBGD CC(C)NC(=O)NNC(=O)C[C@@H]1CCCC(=O)N1 813427823 MOIUPRXUGAOTFX-QMMMGPOBSA-N 256.306 -0.216 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1csnn1 814835428 QOGCFRVXRRVWQT-ZCFIWIBFSA-N 291.358 -0.684 50 20 CBGD CCS(=O)(=O)N[C@H](C)C(=O)NNc1ncccn1 816848440 AWBGQRFKYMIQEM-SSDOTTSWSA-N 273.318 -0.753 50 20 CBGD COCCCS(=O)(=O)NCC(=O)NN(C)C1CC1 819649611 UMWFGSWGBVTNCI-UHFFFAOYSA-N 279.362 -0.932 50 20 CBGD CC(C)NC(=O)NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 820137593 LHHZFJJNHZPAIK-UHFFFAOYSA-N 278.276 -0.453 50 20 CBGD CN1C(=O)CC[C@@H](NC(=O)NNc2ncccc2F)C1=O 823905846 NOPJGBDJIGVEMU-MRVPVSSYSA-N 295.274 -0.006 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCc2c[nH]nc2C1 823950614 DYUQZVKAECKWJS-DTWKUNHWSA-N 252.318 -0.142 50 20 CBGD CC(C)CCC(=O)NCC(=O)NN(C)[C@@H](C)CO 823959927 SJNAMJZRTUJUGP-JTQLQIEISA-N 259.350 -0.117 50 20 CBGD O=C1NCC[C@@H]1C(=O)NN=c1cc[nH]cc1Cl 832243005 NIEAVEFBPYCUHX-LURJTMIESA-N 254.677 -0.264 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H]1NC(=O)O[C@H]1C 841414709 FWVIRTTWKAISMX-NTSWFWBYSA-N 292.386 -0.658 50 20 CBGD CCONC(=O)CNC(=O)NNC(=O)C(C)(C)C 845550350 DYCXJMSJYDRRPE-UHFFFAOYSA-N 260.294 -0.569 50 20 CBGD CNC(=S)N(C)NC(=O)[C@]1(C)CCN(C(C)=O)C1 854924177 FXBMAQFEUBQNBN-LLVKDONJSA-N 272.374 -0.288 50 20 CBGD CNC(=S)N(C)NC(=O)[C@]12CCC(=O)N1CCS2 854927147 WORWMQJQSOCRCP-SNVBAGLBSA-N 288.398 -0.481 50 20 CBGD CNC(=S)N(C)NC(=O)C[C@H]1CCC(=O)N1C 854927294 BSIOLOJCFQHOKK-SSDOTTSWSA-N 258.347 -0.535 50 20 CBGD COCC[C@H](C)NC(=O)NNC(=O)c1cn[nH]c1 858171857 XEUVKLPATIQYKY-ZETCQYMHSA-N 255.278 -0.221 50 20 CBGD Cc1ccnc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 860909566 LVCXUXNOEHRZQU-MRVPVSSYSA-N 277.284 -0.179 50 20 CBGD O=C(C[C@@H]1C=CCC1)NNC(=O)[C@@H]1CCC(=O)N1 862448312 CJJKGIJXIJEOKB-BDAKNGLRSA-N 251.286 -0.231 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CC2(Cl)Cl)N1 862450727 ZXSILKQJDVUGGG-WHFBIAKZSA-N 280.111 -0.394 50 20 CBGD Cc1cc(=NNC(=O)[C@H]2CCOC(=O)N2)cc[nH]1 862514961 CKIIAWPASOPIGY-SECBINFHSA-N 250.258 -0.246 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H](O)C1CCCCC1 863464525 IDBQIXKRCYPSLL-SNVBAGLBSA-N 292.357 -0.880 50 20 CBGD COC(=O)NNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 863853954 HRFNVGVUTVVDFM-ZETCQYMHSA-N 279.318 -0.955 50 20 CBGD CC(C)(C)S(=O)(=O)CCNCc1cccc(B(O)O)c1 863888951 ZECIWABDKZSKIN-UHFFFAOYSA-N 299.201 -0.331 50 20 CBGD CCC[C@H](CCO)NC(=O)c1cc(B(O)O)ccc1F 869870065 SSKMYDYXSMMRHD-SNVBAGLBSA-N 283.108 -0.214 50 20 CBGD COCCOCC(=O)NNC(=O)C1(OC)CCCC1 869906783 RCPBTABTBASQHW-UHFFFAOYSA-N 274.317 -0.244 50 20 CBGD COCCOCC(=O)NN=C1CCN(OC)CC1 872400703 ZFHDPACNZXPRAU-UHFFFAOYSA-N 259.306 -0.221 50 20 CBGD CC(C)C(=O)NNC(=O)c1ccnn1CCN(C)C 899947292 RLWZDQTXEMZNGF-UHFFFAOYSA-N 267.333 -0.138 50 20 CBGD O=C(CNC(=O)C1CC1)NNC(=O)c1ccccc1 914857528 BUBSPSNOQYKMHS-UHFFFAOYSA-N 261.281 -0.026 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)c1ccc[nH]1 915263123 PGTABHXQMRHBJY-SSDOTTSWSA-N 252.274 -0.310 50 20 CBGD CN(C)C(=O)CNC(=S)NNC(=O)OC(C)(C)C 918715890 KMMCFEDLFUFBCX-UHFFFAOYSA-N 276.362 -0.022 50 20 CBGD C[C@@H]1COC[C@@H]1NC(=O)NNC(=O)Cc1cccnc1 926003460 HPTSLAMKRVXOMR-KOLCDFICSA-N 278.312 -0.011 50 20 CBGD COC(=O)C(=O)NNC(=S)Nc1ccc(C(N)=O)cc1 1252511601 SFRRSDROURQKEO-UHFFFAOYSA-N 296.308 -0.724 50 20 CBGD CC(C)NC(=O)NNS(=O)(=O)c1ccnn1C 1318250445 NNAILQFLAHWMBO-UHFFFAOYSA-N 261.307 -0.679 50 20 CBGD CC(C)C(=O)NNC(=O)NC1CCN(CC#N)CC1 1318379376 AJXWQTQTKFNDHU-UHFFFAOYSA-N 267.333 -0.039 50 20 CBGD Cc1c(C(=O)NNC(=S)NC(C)C)nnn1C 1318735620 MUPRRSNOPDEBBL-UHFFFAOYSA-N 256.335 -0.359 50 20 CBGD CC(C)OCCS(=O)(=O)NNC(=O)c1cnccn1 1318993237 QOAIWDRQEMMCSM-UHFFFAOYSA-N 288.329 -0.534 50 20 CBGD O=C(NN=C1CCCS(=O)(=O)C1)c1cnccn1 1327495857 LGKDRHUPSNIGJV-UHFFFAOYSA-N 268.298 -0.229 50 20 CBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)c2ncccn2)CO1 1328161842 WBTQBFYNDOMKMJ-JGVFFNPUSA-N 265.273 -0.402 50 20 CBGD O=C(NCC(=O)N1CC[C@@H](B(O)O)C1)OCC(F)(F)F 1329291008 ALIBYVKHNWJRAQ-ZCFIWIBFSA-N 298.026 -0.650 50 20 CBGD Cc1c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)nnn1C 1329539460 OLYANBOBMMBDFD-JGVFFNPUSA-N 267.289 -0.690 50 20 CBGD O=C(Cc1ncccc1F)NNC(=O)[C@@H]1CCC(=O)N1 1329645012 PKUXTAMJFHIBNA-QMMMGPOBSA-N 280.259 -0.811 50 20 CBGD C[C@@H](NC(=S)NNC(=O)c1cnnn1C)C1CC1 1330817071 KWJXOCNTYSZJCO-ZCFIWIBFSA-N 268.346 -0.278 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(C#N)CCOCC1 1332471040 UAKQJYYZISVIEY-UWVGGRQHSA-N 281.312 -0.121 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@H]2C=CCCC2)N1 1334906759 LQOSPXSWNGHPQH-IUCAKERBSA-N 266.301 -0.296 50 20 CBGD COc1cccn2ncc(C(=O)NNC(=O)CN)c12 1579315997 PYAGFFYYHAOOEN-UHFFFAOYSA-N 263.257 -0.937 50 20 CBGD N[C@@H]1CCC[C@H](NC(=O)c2cc(B(O)O)ccc2F)C1 1580175502 GEBCVLPSXQULRJ-ZJUUUORDSA-N 280.108 -0.495 50 20 CBGD CC(C)(C(=O)O)C(=O)NNC(=O)Cc1cc[nH]n1 1588618355 DPHBOHSGTAGGAR-UHFFFAOYSA-N 254.246 -0.790 50 20 CBGD C[C@@H](CC(=O)O)CC(=O)NNC(=O)C(=O)N1CCCC1 1592391882 SGBQKPNLFSRDAK-MRVPVSSYSA-N 285.300 -0.743 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCC(C)(C)C(=O)O 1594643661 IAFLXSXMZJGRLX-HTQZYQBOSA-N 287.316 -0.147 50 20 CBGD Cn1cc(C(=O)NN=Cc2ccc(C(=O)O)n2C)nn1 1600931911 HKBVLQFUSWBXOL-UHFFFAOYSA-N 276.256 -0.384 50 20 CBGD N#Cc1ccc(CNC(=O)NNC(=O)C(=O)O)s1 1601101634 XPOCMPGBZPMGBE-UHFFFAOYSA-N 268.254 -0.465 50 20 CBGD CC(=O)NNC(=O)c1cccc(NS(C)(=O)=O)c1 48089372 YUGNTZWNPGBTHW-UHFFFAOYSA-N 271.298 -0.161 50 20 CBGD Cc1ccnc(NNC(=O)CCNS(C)(=O)=O)c1 176759214 MYOFLJGMMKZBPP-UHFFFAOYSA-N 272.330 -0.228 50 20 CBGD CC(=O)NCCCNC(=O)NNc1nc2ccccn2n1 191083807 PHTNFQVBTWHXER-UHFFFAOYSA-N 291.315 -0.118 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)Cc1ccccc1F 264512275 XQEIGLSNBAHPCV-UHFFFAOYSA-N 281.287 -0.006 50 20 CBGD CN1CCC[C@@H]1C(=O)NNC(=O)Cc1ccncc1 267029939 YHDUARZNAQLFGP-LLVKDONJSA-N 262.313 -0.134 50 20 CBGD CN1C[C@H](NC(=O)NNC(=O)Cc2ccncc2)CC1=O 267517637 SKQKDQCUONFDKC-SNVBAGLBSA-N 291.311 -0.815 50 20 CBGD COC(=O)c1ccc(NNC(=O)CCn2ccnn2)nc1 270394262 TYTUGBZQDSOLLK-UHFFFAOYSA-N 290.283 -0.007 50 20 CBGD CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NNC(C)=O 289437829 YMWPGUGBEBIEPV-MRVPVSSYSA-N 275.305 -0.307 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNc1ncncc1F 293829719 AOQGKOZIKPKZOV-YFKPBYRVSA-N 257.225 -0.197 50 20 CBGD COC(=O)NNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 298316268 VNIVVDWIHRZWLO-ZRUAGYDASA-N 293.279 -0.819 50 20 CBGD CC(=O)N1CC[C@@H](C(=O)Nc2cccc(B(O)O)c2)C1 584911093 HQMTZRUMMLQHBY-SNVBAGLBSA-N 276.101 -0.827 50 20 CBGD COC[C@@H](C)N(C)C(=O)c1ccc(B(O)O)cc1 584931687 DYSAEFSHTFNURB-SECBINFHSA-N 251.091 -0.527 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCSC[C@@H]1CCO 584966085 URTWAOIZUQYHDY-LBPRGKRZSA-N 295.169 -0.694 50 20 CBGD CO[C@H]1COCC[C@H]1CNCc1ccc(B(O)O)o1 585042997 HALXHAWGVJUOMO-ONGXEEELSA-N 269.106 -0.900 50 20 CBGD CN1CC[C@@H](NC(=O)NNC(=O)CC(F)(F)F)C1=O 739059592 QBGGVTJEZKYWKV-RXMQYKEDSA-N 282.222 -0.500 50 20 CBGD NC(=O)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 746091604 FHIYKNBPQFMPFY-UHFFFAOYSA-N 266.213 -0.769 50 20 CBGD COCC(=O)NN[C@@H](Cc1ccccc1)C(N)=O 758146430 LCACIRRHLNVEDZ-JTQLQIEISA-N 251.286 -0.650 50 20 CBGD Cn1cccc1C(=O)NN=Cc1cn(CC(=O)O)nn1 768483003 NQCXDTHTTKMRHF-UHFFFAOYSA-N 276.256 -0.535 50 20 CBGD COCCCOCC(=O)NNC(=S)NCCSC 775802892 ZGWCMCDAIPBYAU-UHFFFAOYSA-N 295.430 -0.102 50 20 CBGD COc1ccc(NNC(=O)CN2CCN(C)C(=O)C2)nc1 781536058 PHJRCAIRSIYBOZ-UHFFFAOYSA-N 293.327 -0.693 50 20 CBGD CC1(C)CC(C(=O)NNC(=O)C(=O)NC2CC2)C1 794620435 JOARIGNYBLDNLA-UHFFFAOYSA-N 253.302 -0.151 50 20 CBGD CCOCC(=O)NNC(=O)NCC1([S@@](C)=O)CCC1 798121254 XQENKTFTEIKYSL-LJQANCHMSA-N 291.373 -0.346 50 20 CBGD CN(C)c1nccc(NNC(=O)c2cc([N+](=O)[O-])n[nH]2)n1 806902300 UKOXMMZDEHHNJY-UHFFFAOYSA-N 292.259 -0.069 50 20 CBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)N2CCN(C)CC2)CO1 807378951 NNIDRBNKTCBTEB-NXEZZACHSA-N 270.333 -0.600 50 20 CBGD CN(C)C(=O)NNC(=O)c1cc(-c2nn[nH]n2)cs1 821578273 WJYFUVMTAFERGT-UHFFFAOYSA-N 281.301 -0.156 50 20 CBGD CCN(CCO)NC(=O)c1cnc2c(c1)nnn2C 823873629 FJCUWUSOSKOYAS-UHFFFAOYSA-N 264.289 -0.678 50 20 CBGD CN(C)CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 825855898 LVOJQOAAAUJSAW-UHFFFAOYSA-N 296.722 -0.080 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc(F)cn1 827831789 HIVLOPQVFCZHGL-UHFFFAOYSA-N 280.259 -0.396 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](C)[C@H](C(=O)O)C1 828570356 AURFSJAZSACQKY-HRDYMLBCSA-N 271.317 -0.415 50 20 CBGD COCn1ccc(C(=O)NNC(=O)c2cc(C)[nH]n2)n1 831419152 VYAGQGSCRCNJBQ-UHFFFAOYSA-N 278.272 -0.407 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@H]2CCS(=O)(=O)C2)n1 844265163 UVSVQFCZDQFHFM-VIFPVBQESA-N 284.341 -0.029 50 20 CBGD CC(C)(C)n1nnc(C=NNC(=O)C(=O)N2CCCC2)n1 853298226 OHQQSMPLHFTJCY-UHFFFAOYSA-N 293.331 -0.499 50 20 CBGD O=C(C[C@@H]1CCC(=O)N1)NNC(=S)NCC1CCC1 855091087 APSHVXLZGSOCHL-VIFPVBQESA-N 284.385 -0.050 50 20 CBGD CC(C)[C@@H]1C[C@H]1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858534652 DMSUPJIMDAWIGG-DJLDLDEBSA-N 268.317 -0.360 50 20 CBGD O=C(NC[C@@H]1COCCN1)NNc1ncccn1 861680826 LCXHEXZJNHZFJK-MRVPVSSYSA-N 252.278 -0.909 50 20 CBGD Cc1ccnn1CC(=O)NNC(=O)[C@@H]1CCCCO1 861854562 XUDIJLVIUOENCH-JTQLQIEISA-N 266.301 -0.092 50 20 CBGD CON(C)C(=O)CCC(C)=NNC(=O)[C@H]1CCC(=O)N1 863151903 XLKRZRNPEHWZGZ-SECBINFHSA-N 284.316 -0.443 50 20 CBGD COC(=O)[C@H](NC(=O)c1ccc(B(O)O)cc1)C1CC1 863874865 CKANMHQDUIJBHM-LLVKDONJSA-N 277.085 -0.952 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@]2(CCOC2)C1 866503426 QRKKJXYRHFBWCP-AWEZNQCLSA-N 293.103 -0.242 50 20 CBGD Cc1cc(=NNC(=O)NCC(=O)N(C)C)cc[nH]1 875009240 QHEIMWKJVUKXBU-UHFFFAOYSA-N 251.290 -0.474 50 20 CBGD CN1CCC[C@H](NC(=O)NNC(=O)[C@H]2CCCCO2)C1=O 875810015 RMPUAAOACXFACG-VHSXEESVSA-N 298.343 -0.493 50 20 CBGD C=C/C=C\CCNC(=O)NNC(=O)C(=O)NC1CC1 883913408 UKQYQXLERMWDTG-ARJAWSKDSA-N 266.301 -0.272 50 20 CBGD CN1CCO[C@H](C(=O)NNc2ccc(C#N)cn2)C1 899662422 UYHLUWZYTCXNAT-JTQLQIEISA-N 261.285 -0.273 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)NC2CCCCC2)C1=O 899940255 ISSZJLFLZQVOPI-JTQLQIEISA-N 298.343 -0.493 50 20 CBGD O=C1N[C@@H](CC(=O)N2CC[C@@H](B(O)O)C2)c2ccccc21 902551653 GYBPZJJXYOYDMA-SKDRFNHKSA-N 288.112 -0.064 50 20 CBGD COCCN1C[C@@H](C(=O)NNC(=O)CC(C)C)CC1=O 914462577 YNEZKEYNFCITAR-JTQLQIEISA-N 285.344 -0.325 50 20 CBGD CN1CC[C@H](C(=O)NNC(=O)CC(F)(F)F)CC1=O 918366176 LGJYLHDYFQSDDF-LURJTMIESA-N 281.234 -0.045 50 20 CBGD NC(=O)C(=O)NN=C1CCN(c2cnccn2)CC1 1115850776 NKBZORWSTABLGO-UHFFFAOYSA-N 262.273 -0.966 50 20 CBGD CNc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)CN(C)C 1115972428 TWCUJVJILMPWNX-UHFFFAOYSA-N 295.299 -0.041 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)C[C@H]1CCOC1 1116268799 LCWSQIAUSDRXGL-JGVFFNPUSA-N 273.289 -0.695 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 1261910829 KMHVPLRFJMSTLK-DVVUODLYSA-N 252.318 -0.133 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1CSCC(=O)N1 1262222917 FSQZUKZUBSOWAX-LURJTMIESA-N 276.387 -0.878 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cnns1 1318128367 USCUMEZDMGVWMS-UHFFFAOYSA-N 295.280 -0.678 50 20 CBGD COC[C@@H](NC(=O)NNC(=O)C(=O)OC)c1ccc(C)o1 1318943435 WFESGWHMRWBEFV-MRVPVSSYSA-N 299.283 -0.221 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccnc(OC)c1 1319002902 BPHDQLDKFPRBOV-UHFFFAOYSA-N 282.256 -0.906 50 20 CBGD Cn1cnc(CNC(=O)NNC(=O)c2cccc(C#N)c2)n1 1319810395 HZJOUVTZHZSFDE-UHFFFAOYSA-N 299.294 -0.169 50 20 CBGD CC(=O)NNS(=O)(=O)c1cnc2c(cnn2C)c1 1320429488 FLPCTNFYEMDZTD-UHFFFAOYSA-N 269.286 -0.702 50 20 CBGD CC(C)NC(=S)NNC(=O)CCn1cncn1 1322247562 TVWSMBHMGFEQPR-UHFFFAOYSA-N 256.335 -0.428 50 20 CBGD COC(=O)C(=O)NNC(=O)NC1C[C@H](C)O[C@@H](C)C1 1323268787 JOXVOEBHAWZXFK-BQBZGAKWSA-N 273.289 -0.554 50 20 CBGD Cc1csc([C@H](C)C(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 1329171621 FXPKVAPUWOQOGQ-HTQZYQBOSA-N 296.352 -0.019 50 20 CBGD C[C@H](C(=O)NNC(=O)C1CCOCC1)N1CCN(C)CC1 1332255043 PGOAYYOESQOJSW-LLVKDONJSA-N 298.387 -0.804 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccncc1F 1335354509 SSZMDKQIQZEDMX-UHFFFAOYSA-N 275.261 -0.974 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ncc(Cl)s2)N1 1351627767 JLBFQQBJSAFOAC-BYPYZUCNSA-N 288.716 -0.164 50 20 CBGD C=CCNC(=S)NNC(=O)[C@]1(CN)CCCOC1 1574942554 BNEVGXNVBJVKIC-NSHDSACASA-N 272.374 -0.577 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@H]2CC[C@H](N)CC2)nn1 1579953038 FGPFJIBFUYLNJZ-ZKCHVHJHSA-N 266.305 -0.906 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NN=Cc1cc(C(=O)O)nn1C 1589416063 NSMMERCCBTTZJE-IONNQARKSA-N 280.284 -0.007 50 20 CBGD CC(C)(CC(=O)O)CC(=O)NNC(=O)[C@H]1CCC(=O)N1 1590635111 NEWJJWYLVCBQRT-SSDOTTSWSA-N 285.300 -0.697 50 20 CBGD CC[C@](C)(CC(=O)O)NC(=O)c1cccc(B(O)O)c1 1594823447 CSYHOLVEAJNGRL-CYBMUJFWSA-N 279.101 -0.260 50 20 CBGD NC(=O)CC(=O)NNc1ccc(F)c(C(=O)O)c1 1601147005 YIUSIGNWOQYNSN-UHFFFAOYSA-N 255.205 -0.158 50 20 CBGD O=C1CN(CC(=O)NNc2cccc(C(=O)O)c2)CCN1 1609041252 WJGLAQAKOLNABY-UHFFFAOYSA-N 292.295 -0.740 50 20 CBGD CN1CCN(CCNS(=O)(=O)CCCCl)CC1 37760148 DYUKOYGXHIZURI-UHFFFAOYSA-N 283.825 -0.218 50 20 CBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNC(=O)c2ccccc2F)O1 279748322 XVPHKLXJBPHWGS-VHSXEESVSA-N 295.270 -0.380 50 20 CBGD C=CCNC(=S)NNC(=O)CC1OCCCO1 281165509 IKSKHRADPVTRQW-UHFFFAOYSA-N 259.331 -0.179 50 20 CBGD COc1ccnc(NNC(=O)[C@H](CO)NC(=O)C(C)C)n1 291543083 VOTULROEPZILIY-QMMMGPOBSA-N 297.315 -0.939 50 20 CBGD CC(=O)NCC(=O)NNC(=O)COc1cccc(C)c1 298281423 RURXYYYONGHDIN-UHFFFAOYSA-N 279.296 -0.343 50 20 CBGD C[C@@H](O)[C@H](NS(=O)(=O)CBr)C(=O)O 308255957 KMEWWAOICWVKAX-DMTCNVIQSA-N 276.108 -0.908 50 20 CBGD COC(=O)N(C)CC(=O)NNc1cc(C)ncn1 491441554 UNJPIRJNARUNKP-UHFFFAOYSA-N 253.262 -0.074 50 20 CBGD CN(CCC(=O)NNC(=O)CO)C(=O)OC(C)(C)C 496921487 QNSFZBCUDBYRES-UHFFFAOYSA-N 275.305 -0.617 50 20 CBGD CN1CCC[C@H](N(C)C(=O)c2ccc(B(O)O)cc2)C1 584949071 CJUFLAOFNNGGFK-ZDUSSCGKSA-N 276.145 -0.467 50 20 CBGD CCN(CC)[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584953635 FGOZGONVOOEGDN-CQSZACIVSA-N 290.172 -0.077 50 20 CBGD CC(C)[C@@H](CCO)NC(=O)c1cc(B(O)O)ccc1F 584959225 ZCUKXDXEBQTTDY-GFCCVEGCSA-N 283.108 -0.358 50 20 CBGD CC1(O)CCC(NC(=O)c2cc(B(O)O)ccc2F)CC1 584960880 OHHCRWLEVJAEIN-UHFFFAOYSA-N 295.119 -0.071 50 20 CBGD C[C@H](O)C[C@H](C)CNCc1cccc(B(O)O)c1 585025340 RLKQOCGZMDPVGP-QWRGUYRKSA-N 251.135 -0.137 50 20 CBGD CC(C)N1CC[C@@H](NCc2cccc(B(O)O)c2)C1=O 585027523 AWGPZVKXXWIXIH-CYBMUJFWSA-N 276.145 -0.535 50 20 CBGD C[C@H]1COCCN1CCNCc1ccccc1B(O)O 585033100 XLBTULZIAQTMJQ-LBPRGKRZSA-N 278.161 -0.823 50 20 CBGD OC[C@@H](NCc1ccc(B(O)O)cc1F)[C@H]1CCCO1 585039553 WUMRMLDSYOEWTP-CHWSQXEVSA-N 283.108 -0.865 50 20 CBGD CC(C)(C)N1CC[C@@H]1CNCc1ccc(B(O)O)o1 585045790 MAXFIDZXBCROBI-SNVBAGLBSA-N 266.150 -0.078 50 20 CBGD C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](B(O)O)C2)C1 585066533 PQEKCDREHXNAAQ-ZJUUUORDSA-N 268.122 -0.680 50 20 CBGD CN(CC1CC1)S(=O)(=O)NNC(=O)c1cccn1C 737756999 RLJWAZJPBRTFQO-UHFFFAOYSA-N 286.357 -0.154 50 20 CBGD CCOCCO[C@H]1CCN(CC(=O)NNC(=O)C2CC2)C1 750262265 LFZXIOCQVPVUNU-LBPRGKRZSA-N 299.371 -0.329 50 20 CBGD CCC1(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)COC1 755132565 PNJJWCQGJALLEQ-SNVBAGLBSA-N 290.385 -0.095 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)Nc1nn(C)cc1C#N 756869711 CWDFKYMWCICXGV-UHFFFAOYSA-N 288.271 -0.210 50 20 CBGD COCC(=O)NNC(=S)NC[C@@H]1CCCCO1 758240247 FMNUJBUSKQRBGX-QMMMGPOBSA-N 261.347 -0.303 50 20 CBGD CSc1ccccc1NC(=O)C(=O)NNC(=O)CO 764428824 LEGDHIFVNOZWIT-UHFFFAOYSA-N 283.309 -0.513 50 20 CBGD COc1nccnc1NNC(=O)[C@@H](C)NC(C)=O 764465410 MIWZEBKCZNDLTM-ZCFIWIBFSA-N 253.262 -0.547 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)Cc2ccn(C)n2)n1 782553622 UBXZVUKWIMGZJJ-UHFFFAOYSA-N 290.327 -0.376 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCN1C1CC1)C(=O)N1CCCC1 787272934 BFWSDFNVBPTROJ-NSHDSACASA-N 294.355 -0.617 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CNC(=O)CC1CCCCC1 787947768 VGYRZSMAMHKKCX-UHFFFAOYSA-N 299.371 -0.009 50 20 CBGD CCN1CCO[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2)C1 802032491 VCDISXHVEKCCJE-LLVKDONJSA-N 293.327 -0.623 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)N2CCN(C)CC2)CO1 807378955 NNIDRBNKTCBTEB-ZJUUUORDSA-N 270.333 -0.600 50 20 CBGD O=C(O)c1cc(S(=O)(=O)NNC(=O)c2ccc[nH]2)c[nH]1 833304084 ORXVJVHOGVSVTK-UHFFFAOYSA-N 298.280 -0.336 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@]1(C)CCOC1 843657828 QHAGLTZNTFTCPY-SBMIAAHKSA-N 256.302 -0.015 50 20 CBGD CCOC(=O)NCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843973079 IWASOKSFPZFLKZ-SFYZADRCSA-N 273.289 -0.695 50 20 CBGD O=C(Cn1nc2n(c1=O)CCCC2)NNc1ccccn1 845918123 FQPGANRATIBSKR-UHFFFAOYSA-N 288.311 -0.081 50 20 CBGD CN1C(=O)CC[C@H]1CC(=O)NNC(=O)NCC(F)(F)F 847117882 YZPXREWXSDMQIO-LURJTMIESA-N 296.249 -0.110 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCO1)N[C@H]1CCNC1 851670208 GOWRNUQVJPEORD-IUCAKERBSA-N 256.306 -0.752 50 20 CBGD CN(C)CC(=O)NNC(=O)Cc1ncccc1F 857105148 FQKAQDVDOYOOSE-UHFFFAOYSA-N 254.265 -0.528 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2cccs2)N1 858087572 PXQFHDSZQOYIQQ-MRVPVSSYSA-N 282.325 -0.143 50 20 CBGD CSc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccn1 862452830 OHMOSNBMKRNJOJ-QMMMGPOBSA-N 294.336 -0.157 50 20 CBGD O=C(NNC(=O)[C@H]1CCN1C1CCCC1)C(=O)NC1CC1 862468774 OBKGTWPYGRDRAX-LLVKDONJSA-N 294.355 -0.571 50 20 CBGD C[C@@H]1CC(=NNC(=O)CS(C)(=O)=O)CCN1C 863189838 UYIIWUNNWIYHBD-MRVPVSSYSA-N 261.347 -0.383 50 20 CBGD CCOCCCNC(=S)NNC(=O)[C@H]1CCC(=O)N1 863204257 UJASJFHUAUKXMA-MRVPVSSYSA-N 288.373 -0.813 50 20 CBGD CC[C@@H]1CC[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)O1 863462545 RBLGQWSGONVFHP-SFYZADRCSA-N 278.330 -0.864 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C[C@H]1C=CCCC1 863464245 ACFDRCAIYPWFIA-VIFPVBQESA-N 274.342 -0.075 50 20 CBGD COC(=O)CCCNC(=O)c1cccc(B(O)O)c1 863869268 KNHNPXLQXDVJPP-UHFFFAOYSA-N 265.074 -0.951 50 20 CBGD COC(=O)C[C@H](NC(=O)c1ccc(B(O)O)cc1)C1CC1 863876558 FRQRRTPMUAKHQJ-LBPRGKRZSA-N 291.112 -0.562 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)n1cc(CN2CCCC2)nn1 881293361 OEQONIDIHDUERP-JTQLQIEISA-N 294.359 -0.008 50 20 CBGD O=C(O)[C@H]1CCC[C@H]1NCc1ccccc1B(O)O 901481918 HYJYYYALFDNMCV-CMPLNLGQSA-N 263.102 -0.291 50 20 CBGD Cc1cccnc1NNC(=O)CN1CCNC(=O)C1 907696903 BXZJQCBODYLNHI-UHFFFAOYSA-N 263.301 -0.735 50 20 CBGD CCOC1(C(=O)NNC(=O)CN2CCCC2=O)CCC1 913734482 RPORWERALCLQOE-UHFFFAOYSA-N 283.328 -0.285 50 20 CBGD CNC(=O)NNC(=O)CSCC(=O)N1CCCCC1 919879573 QDCJRZQSCMCYHZ-UHFFFAOYSA-N 288.373 -0.308 50 20 CBGD CCc1ncc(NC(=O)C(=O)NNC(=O)C(C)C)cn1 1116619359 WILLLUABCNVNFW-UHFFFAOYSA-N 279.300 -0.219 50 20 CBGD N#Cc1c(F)cccc1C(=O)NNC(=O)C(=O)NC1CC1 1116676944 YNQMXSCBUNUJNB-UHFFFAOYSA-N 290.254 -0.263 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1nc[nH]n1 1118218982 RBXXSUFBZMOXAX-YUMQZZPRSA-N 267.289 -0.690 50 20 CBGD N#Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cs1 1118884770 PWISIFYDBPVNEC-MRVPVSSYSA-N 278.293 -0.341 50 20 CBGD Cc1nnc2n1C[C@@H](C(=O)NNC(=O)c1cn[nH]c1)CC2 1118943488 OMYRPLOJKIXDAQ-QMMMGPOBSA-N 289.299 -0.667 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=S)Nc1ccccn1 1119116420 QQGXWOVGEKJGBV-LLVKDONJSA-N 284.341 -0.203 50 20 CBGD CN(NC(=O)CC(O)CC(=O)NN(C)C1CC1)C1CC1 1261438405 CNOPTTBOQDJKDF-UHFFFAOYSA-N 284.360 -0.622 50 20 CBGD CN(C)N(C(=O)[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1318459069 JSZIRPWIOVULHL-UWVGGRQHSA-N 276.358 -0.485 50 20 CBGD COC[C@H](C)NC(=S)NNC(=O)Nc1noc(C)n1 1320071264 UBCUXAYNDKFAEP-YFKPBYRVSA-N 288.333 -0.086 50 20 CBGD O=C1C[C@H](C(=O)NNC(=O)c2ccncc2)CCN1 1322546164 BHIYXHYYGVUXBS-SECBINFHSA-N 262.269 -0.631 50 20 CBGD Cn1cc(C(=O)NNc2ccccc2S(C)(=O)=O)nn1 1323709961 ALBKFBCVQUHVAZ-UHFFFAOYSA-N 295.324 -0.025 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1cccc(F)n1 1325723731 GNSOFVOCBRFPTL-UHFFFAOYSA-N 270.220 -0.064 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](C)n1cnc(C#N)n1 1326362238 CYZUNMGBSICSQV-XHNCKOQMSA-N 292.299 -0.717 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)c1ccc[nH]1 1327776317 BSBSJOSRFOVGJF-MRVPVSSYSA-N 274.284 -0.370 50 20 CBGD O=C(/C=C/C1CCOCC1)NNC(=O)[C@H]1CCC(=O)N1 1329077269 ASHNVJGTEWCBNG-UDIQPFLZSA-N 281.312 -0.605 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNC(=O)NCC1CC1 1336306086 BNDUMHKBSNUOHK-JTQLQIEISA-N 270.333 -0.553 50 20 CBGD C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNC(=O)C(=O)OC 1339789322 UFASRBZOBDCFNV-BDAKNGLRSA-N 285.300 -0.529 50 20 CBGD CS(=O)(=O)CC1(C(=O)NNc2ccccn2)COC1 1347115606 LFAMVKHAKNDFIO-UHFFFAOYSA-N 285.325 -0.414 50 20 CBGD COCCCOCCC(=O)NNc1cnnn1C 1351217908 UEHJGLQFHXBWJV-UHFFFAOYSA-N 257.294 -0.299 50 20 CBGD O=C(CC(=O)N1CC[C@@H](B(O)O)C1)NCC(F)(F)F 1351728532 GHQIBXCPRJEXAI-ZCFIWIBFSA-N 282.027 -0.870 50 20 CBGD O=C(CC1CS(=O)(=O)C1)NNc1ncccc1C(=O)O 1574515048 CGMDVYCDACRXHQ-UHFFFAOYSA-N 299.308 -0.342 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CN(CCN)Cc1ccccc1 1576271778 HQBUBVGYLHMNAZ-CYBMUJFWSA-N 294.399 -0.209 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)NCc2cnn[nH]2)cn1 1577652924 AWEDZMIDHSYJMG-MBXJOHMKSA-N 257.257 -0.238 50 20 CBGD O=C(NNC(=O)[C@H]1CCCn2ncnc21)[C@H]1CCCNC1 1580732986 LLQAMWWDKNETHQ-UWVGGRQHSA-N 292.343 -0.698 50 20 CBGD CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)c1cnn(C)c1 1588808545 RLZXKTUHXWUDSQ-MRVPVSSYSA-N 268.273 -0.462 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(C(=O)O)CC1 1589418414 ZGIGHIQAUFNXAC-RNFRBKRXSA-N 256.258 -0.576 50 20 CBGD COCCN(C)NC(=O)c1coc(-c2nn[nH]n2)c1 1591420674 MOYVKUGEIJMOLW-UHFFFAOYSA-N 266.261 -0.317 50 20 CBGD CN(NC(=O)C1(C(=O)O)CCSCC1)C(N)=O 1593766056 DGWUHLXHLQTOPE-UHFFFAOYSA-N 261.303 -0.374 50 20 CBGD Cc1nnc(NNC(=O)c2ccc(C(=O)O)cn2)nc1O 1594493174 SGGOIORBPOBNBY-UHFFFAOYSA-N 290.239 -0.264 50 20 CBGD O=C1CC[C@@H](C(=O)NN[C@@H](C(=O)O)c2ccccc2)N1 1602638015 KYBHSXCGTGBEOL-GXSJLCMTSA-N 277.280 -0.288 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)c1cccc(C#N)c1 1604435625 XOKKOTBAXIGIHC-SECBINFHSA-N 277.236 -0.581 50 20 CBGD O=C(CCO)NNC(=O)Nc1cncc(C(=O)O)c1 1605682388 XNQRXLIYDBUTCM-UHFFFAOYSA-N 268.229 -0.685 50 20 CBGD O=C(O)CNC(=O)NNS(=O)(=O)c1ccsc1 1608754369 AFINBVXEKLGUAT-UHFFFAOYSA-N 279.299 -0.675 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NCCn1cc(C(=O)O)nn1 1609653529 BPOHXYRLRDQYTB-UHFFFAOYSA-N 298.303 -0.647 50 20 CBGD COc1ccccc1C(=O)NCC(=O)NNC(C)=O 48089331 JVGQQQKYOFAIRQ-UHFFFAOYSA-N 265.269 -0.408 50 20 CBGD O=S(=O)(CCCCl)N1CCCN(CCO)CC1 227367535 UTYWHYYMVSQUSU-UHFFFAOYSA-N 284.809 -0.055 50 20 CBGD CCS(=O)(=O)NCC(=O)NNc1cccc(OC)n1 272572169 WHEQTKDXHSVFPN-UHFFFAOYSA-N 288.329 -0.527 50 20 CBGD CCCC[C@H](NC(N)=O)C(=O)NN(C)C(=O)NCC 274529188 QIWNKRNNBMVVBF-QMMMGPOBSA-N 273.337 -0.094 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1cncc(F)c1 281898505 HWRHFUHDQLNPCQ-UHFFFAOYSA-N 255.253 -0.065 50 20 CBGD COc1cc(C)nc(NNC(=O)c2cnn(C)n2)n1 284442843 UXEAMAHDENERRN-UHFFFAOYSA-N 263.261 -0.321 50 20 CBGD CO[C@H](Cc1ccccc1)C(=O)NNC(=O)CN(C)C 295360289 WASXHNCYBKAIQR-GFCCVEGCSA-N 279.340 -0.047 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H]1NC(=O)O[C@H]1C 496310766 VUMQRLRXKFNZOB-NKWVEPMBSA-N 258.278 -0.386 50 20 CBGD CCCNC(=O)CCNC(=O)c1ccc(B(O)O)c(F)c1 584934281 QTGUHIWYAFENPA-UHFFFAOYSA-N 296.107 -0.848 50 20 CBGD N#C[C@@]1(NC(=O)c2ccc(B(O)O)c(F)c2)CCSC1 584937065 QIJWSZPHZPPLSM-LBPRGKRZSA-N 294.116 -0.365 50 20 CBGD CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 584938396 DVIZUFSEFZTYLP-VHSXEESVSA-N 292.144 -0.601 50 20 CBGD CCC[C@](C)(O)CNC(=O)c1cc(B(O)O)ccc1F 584954822 OXJBVFAMKLTGAW-ZDUSSCGKSA-N 283.108 -0.214 50 20 CBGD C=CC[C@@H](CO)CNC(=O)c1cccc(B(O)O)c1 584969754 ITCUTKNKIOJQOK-SNVBAGLBSA-N 263.102 -0.719 50 20 CBGD CN1CC2(CCN(C(=O)c3cc(B(O)O)ccc3F)C2)C1 584982294 JZAFVOMANYYHDF-UHFFFAOYSA-N 292.119 -0.717 50 20 CBGD C[C@H]1CC[C@H](O)CN1C(=O)c1cc(B(O)O)ccc1F 584986150 UZVGRIURBOSZLW-WPRPVWTQSA-N 281.092 -0.509 50 20 CBGD OB(O)c1ccc(CNCCCn2cccn2)c(F)c1 585018295 UGNOWUNIUVDICV-UHFFFAOYSA-N 277.108 -0.118 50 20 CBGD C[C@H]1C[C@@H](NCc2ccccc2B(O)O)CCN1C 585026053 BWHYTDBBFZZUNP-AAEUAGOBSA-N 262.162 -0.061 50 20 CBGD CC(C)C(=O)NCCCNCc1ccc(B(O)O)cc1 585031558 HQXIDGMYTIZUHC-UHFFFAOYSA-N 278.161 -0.382 50 20 CBGD CCO[C@@H]1C[C@@H](NCc2ccccc2B(O)O)[C@@H]1OC 585035791 YTVAEBRJGQUYLA-MCIONIFRSA-N 279.145 -0.352 50 20 CBGD NC(=O)CCCc1nc(-c2cccc(B(O)O)c2)no1 585052383 KWCJDVQVUZUSBU-UHFFFAOYSA-N 275.073 -0.776 50 20 CBGD O=S(=O)(c1ccc2c(c1)OCO2)N1CC[C@H](B(O)O)C1 585059080 YRQPZAVEYZHBLV-QMMMGPOBSA-N 299.113 -0.347 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)CSCC(N)=O)c1 735655154 QOVBPNGAAXAVHA-UHFFFAOYSA-N 292.320 -0.462 50 20 CBGD C=CCNC(=S)NNC(=O)CSCC(=O)O 738491844 OGLGUYNFMOHYOD-UHFFFAOYSA-N 263.344 -0.515 50 20 CBGD COC[C@@H](NCC(=O)NNC(=O)C1CC1)C(C)C 754385625 RBIPXLJHKCILRM-SNVBAGLBSA-N 257.334 -0.196 50 20 CBGD COCCCn1ccc(NC(=O)NNC(=O)COC)n1 756657293 DDSZYLRSCVXCFV-UHFFFAOYSA-N 285.304 -0.281 50 20 CBGD NC(=O)c1ccc(NNC(=O)CCn2cccc2)nn1 757406454 BJIRGMLIQBUGKI-UHFFFAOYSA-N 274.284 -0.090 50 20 CBGD COCCCNC(=O)NNC(=O)c1cc2n(n1)CCCO2 761624457 KCDBLWGEAHHKOJ-UHFFFAOYSA-N 297.315 -0.354 50 20 CBGD CC(C)NC(=S)NNC(=O)CNC(=O)c1cccnc1 763163348 IMAGHQOYPIIAIT-UHFFFAOYSA-N 295.368 -0.285 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@]1(O)CCSC1 765686573 UIGBZUKRHJTXJA-SNVBAGLBSA-N 277.346 -0.779 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCOC1 772047607 LCWHVNJUKRBNNO-JGVFFNPUSA-N 258.274 -0.488 50 20 CBGD CSCCNC(=S)NNC(=O)[C@H]1CCN(C)C1=O 773585079 XJFIDJFLEAECEA-SSDOTTSWSA-N 290.414 -0.677 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@](F)(C#N)C1 786438544 VBUWINCSTWKIBY-GZMMTYOYSA-N 256.281 -0.130 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCCOC2)CC1 788165636 FDVSUNSOVDKRNN-JTQLQIEISA-N 270.333 -0.599 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cn(C)cn1 794478815 SGWWAKFODWTSMT-NSHDSACASA-N 279.344 -0.162 50 20 CBGD C=CCNC(=S)NNC(=O)C[C@H]1SC(=N)NC1=O 798305606 XFEZTISUHBOFJH-RXMQYKEDSA-N 287.370 -0.776 50 20 CBGD NC(=O)CSCC(=O)NNc1ncccc1F 804212369 RABOWCQBOUZXSJ-UHFFFAOYSA-N 258.278 -0.118 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cnc[nH]2)CC1 807383293 SWTLEOYKDILRDN-UHFFFAOYSA-N 252.278 -0.989 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C[C@@H]1CCCC(=O)N1 809670934 SEEAOHFJQYDODH-QMMMGPOBSA-N 279.300 -0.462 50 20 CBGD CC(CCCO)=NNC(=O)[C@@H](C)NS(C)(=O)=O 814835121 IEMUZCKXFOPYKE-MRVPVSSYSA-N 265.335 -0.811 50 20 CBGD COc1nccnc1NNC(=O)[C@H]1CC[C@@H]1C(N)=O 816971012 QZXDLJKQJGZMQJ-BQBZGAKWSA-N 265.273 -0.560 50 20 CBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1C=CCC1 821085854 JYHDBDBLZWMORM-VIFPVBQESA-N 266.301 -0.342 50 20 CBGD CCN(CCO)NC(=O)c1ncn(C(C)(C)C)n1 823889203 LYSPTEARWDMZTP-UHFFFAOYSA-N 255.322 -0.008 50 20 CBGD NC(=O)C1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1 826388961 NCVFBNDPVZNOET-UHFFFAOYSA-N 287.283 -0.425 50 20 CBGD CC(C)N(C)S(=O)(=O)NNC(=O)[C@H]1CCO[C@H]1C 842591907 HJPAMKQBIBJHOP-IUCAKERBSA-N 279.362 -0.383 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CC(C)(C)CN 843355297 QKLIKKRMQKJOKF-SECBINFHSA-N 258.366 -0.151 50 20 CBGD CCC1(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)COC1 843655034 TVGQIRBSGBQRGJ-DTWKUNHWSA-N 256.302 -0.015 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)c1cnn(C)c1 844393243 FUNBPSXNVKQZGX-UHFFFAOYSA-N 281.316 -0.657 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@@H](C(=O)O)C(C)C 848593108 YDVISGFONJBRQX-MRVPVSSYSA-N 275.305 -0.290 50 20 CBGD COC(=O)CNC(=O)NN=Cc1nnn(C(C)(C)C)n1 853331225 LAQIGEMMZUIJCF-UHFFFAOYSA-N 283.292 -0.766 50 20 CBGD CNS(=O)(=O)CC(=O)NC[C@]1(C)C[C@@H]1Br 857735115 XKEXOCCWDYQRTR-XPUUQOCRSA-N 299.190 -0.175 50 20 CBGD CS[C@@H](C)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858313984 UHWGYALKLZWWPV-BQBZGAKWSA-N 274.346 -0.653 50 20 CBGD Cc1cc(=NNC(=O)CN2CCN(C)C(=O)C2)cc[nH]1 862514879 ZWXZHOFCQGYYTG-UHFFFAOYSA-N 277.328 -0.971 50 20 CBGD O=C(NNC(=O)C1CCC1)c1cc(B(O)O)ccc1F 863873050 UOCUOHAUPLXANR-UHFFFAOYSA-N 280.064 -0.933 50 20 CBGD COC(=O)N(C)NC(=O)/C=C/CN1CCOCC1 868241798 ZAOMDXIFEWLRNL-ONEGZZNKSA-N 257.290 -0.396 50 20 CBGD CN(C)N(C(=O)C1CSC1)[C@@H]1CCS(=O)(=O)C1 868435081 QJLJNBZLDHOXHX-SECBINFHSA-N 278.399 -0.158 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)N2CCOC[C@@H]2CCO)cn1 889880161 GKTDQYWABJHRLC-UWUHSAQLSA-N 290.323 -0.063 50 20 CBGD C=CCOC[C@@H](NCc1ccc(B(O)O)cc1)C(=O)O 901811393 SKXSFZDHKNVYDV-GFCCVEGCSA-N 279.101 -0.888 50 20 CBGD CN1C(=O)CCC[C@H]1C(=O)NNC(=O)c1ccc[nH]1 905337965 BCYQQTJMHPMUFM-VIFPVBQESA-N 264.285 -0.213 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H](C)n1nnnc1C(C)(C)C 910154570 DGKDYIPRCCYSEJ-RKDXNWHRSA-N 284.364 -0.125 50 20 CBGD O=C(C=C1CCC1)NNC(=O)CN1CCCC1=O 913731428 IHXGCLMYIYCXOB-UHFFFAOYSA-N 251.286 -0.134 50 20 CBGD CC[C@H](C)[C@H](OC)C(=O)NNC(=O)CN1CCCC1=O 913732572 AYUBWCRHTMDEGU-CABZTGNLSA-N 285.344 -0.183 50 20 CBGD O=C(CN1CCCNC1=O)NNC(=O)c1cccnc1 915260356 DMJTYHXGSSKJPF-UHFFFAOYSA-N 277.284 -0.742 50 20 CBGD CC(=O)NNC(=O)Cc1ccc(-n2cnnn2)cc1 918688307 DURIWUGGLKKOHT-UHFFFAOYSA-N 260.257 -0.628 50 20 CBGD COc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc1 919679676 DDSHLIWDXHKZOP-UHFFFAOYSA-N 286.309 -0.499 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)NC1 920822262 CLFVFTYAHXAHRM-MRVPVSSYSA-N 256.306 -0.357 50 20 CBGD COc1ccc(NNC(=O)C(=O)Nc2cnn(C)c2)nc1 1116713279 FQKNTOHMFZLSAZ-UHFFFAOYSA-N 290.283 -0.095 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CN3CCN2C[C@@H]3C)o1 1263765700 ZXTZNQXHWAKTMZ-GXSJLCMTSA-N 292.339 -0.263 50 20 CBGD O=C(NNC(=O)C1=CCCC1)N[C@@H]1CCS(=O)(=O)C1 1319314974 VPYGDPXGDLANRM-SECBINFHSA-N 287.341 -0.386 50 20 CBGD CC(C)C(=O)NNC(=O)C(=O)Nc1cncnc1N(C)C 1320234398 DZIVTSKSOAGTIM-UHFFFAOYSA-N 294.315 -0.716 50 20 CBGD CN1CC(=O)N(CC(=O)N2CC=C(C#N)CC2)C1=O 1320290883 YHHQOEJOBSRWLY-UHFFFAOYSA-N 262.269 -0.437 50 20 CBGD CC[C@H](C)n1ncc(NC(=O)C(=O)NNC(=O)CO)c1C 1320706833 HRAWUTLRTUCNQI-ZETCQYMHSA-N 297.315 -0.759 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(C2CC2)no1 1321217885 HWOGPKRPYSBVEG-UHFFFAOYSA-N 280.284 -0.162 50 20 CBGD C[C@H](C(=O)NNc1nccn(C)c1=O)n1ccnc1 1322296850 OYLFWQMYJFWBEN-MRVPVSSYSA-N 262.273 -0.319 50 20 CBGD CN(NC(=O)Cc1csc(N2CCCC2=O)n1)C(N)=O 1324775711 JQSPOYPGWWCQRA-UHFFFAOYSA-N 297.340 -0.146 50 20 CBGD O=C(NNC(=O)c1ncccn1)N[C@@H]1C[C@H]2CC[C@@H]1O2 1326439961 AITCZLRLQPSPGI-HLTSFMKQSA-N 277.284 -0.260 50 20 CBGD CS(=O)(=O)c1ccc(N2CC[C@H](B(O)O)C2)nc1 1329292289 HXJDJFSFFOWEKB-QMMMGPOBSA-N 270.119 -0.462 50 20 CBGD COc1ncnc(OC)c1C(=O)N1CC[C@H](B(O)O)C1 1329670848 FPDLQSFAKZGMJU-ZETCQYMHSA-N 281.077 -0.817 50 20 CBGD Cn1nncc1NNC(=O)[C@@H]1CCCN1C(=O)C1CC1 1331133333 UKBXVBRPNARQQZ-VIFPVBQESA-N 278.316 -0.341 50 20 CBGD CNC(=S)N(C)NC(=O)CCc1ccncn1 1331202710 CYFISPRAMLCCLS-UHFFFAOYSA-N 253.331 -0.124 50 20 CBGD COC(=O)c1ccc(NNC(=O)c2cnnn2C)nc1 1339844473 TXBLOADGNQWGHN-UHFFFAOYSA-N 276.256 -0.246 50 20 CBGD CN(N)C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl 1573877438 QRCWWEQRMACHNV-SECBINFHSA-N 298.730 -0.354 50 20 CBGD C[C@H](CNC(=O)NNC(=O)c1ncccn1)C(=O)O 1589056280 MKBLUVCFDLHDPL-ZCFIWIBFSA-N 267.245 -0.859 50 20 CBGD CS(=O)(=O)SCCNC(=O)CCC(=O)O 1594171608 UBBMGVHUWKQYTB-UHFFFAOYSA-N 255.317 -0.340 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@]2(C(=O)O)CCCO2)n1 1594387974 PADCESUTQMEBFM-ZDUSSCGKSA-N 293.279 -0.215 50 20 CBGD Cn1cc([C@H](O)C(=O)NNc2ncccc2C(=O)O)cn1 1594531498 KGKHEMLNWYZPQA-VIFPVBQESA-N 291.267 -0.310 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)N[C@H]1C[C@H](C(=O)O)C1 1594711382 TUZLDKZFIUOULN-MGCOHNPYSA-N 292.295 -0.182 50 20 CBGD O=C(Cc1ccccc1O)NNC(=O)[C@H]1C[C@H]1C(=O)O 1608368315 JOXJWBJLPFTXQA-DTWKUNHWSA-N 278.264 -0.197 50 20 CBGD CC[C@H](C(=O)O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1609886508 NDIHFHWHRVBRGR-GJMOJQLCSA-N 258.274 -0.330 50 20 CBGD CS(=O)(=O)[C@@H]1CCCC(=NNC(=O)NCC(=O)O)C1 1610372409 NPSHDMPIEXQBHZ-MRVPVSSYSA-N 291.329 -0.287 50 20 CBGD C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Cl)CCO2 1783049149 QHXNBZVGSLEKRM-ZYHUDNBSSA-N 288.706 -0.016 50 20 CBGD CC(=O)NNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 23199058 OCPXGMSJATUQDM-UHFFFAOYSA-N 297.336 -0.092 50 20 CBGD CCNC(=O)NNC(=O)c1cnc2n(c1=O)CCS2 49165599 JMWWKDXWHQJTAG-UHFFFAOYSA-N 283.313 -0.687 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cnn(C)c2)cc(O)n1 133832366 RYSFVNIIBYESBJ-UHFFFAOYSA-N 275.268 -0.096 50 20 CBGD O=S(=O)(CBr)N1CC[C@H](CO)C1 156852107 NYTPGLVCAAWHOA-LURJTMIESA-N 258.137 -0.017 50 20 CBGD COC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)Cc1ccccn1 285690372 RTSMAMKNBMFNEG-MNOVXSKESA-N 291.307 -0.029 50 20 CBGD CNc1ccc(C(=O)NNC(=O)C(C)(C)O)cn1 286775735 LYJVPCPNAOSUBA-UHFFFAOYSA-N 252.274 -0.345 50 20 CBGD CCn1nc(C)c(C(=O)NNC(=O)N2CCOCC2)n1 292959661 LHOWXMQZGSFBNQ-UHFFFAOYSA-N 282.304 -0.707 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCN2C(=O)OC[C@H]2C1 493881377 ZDQTYULFJFOTNT-DTWKUNHWSA-N 284.316 -0.931 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1OC[C@@H]2COCC[C@@H]21 584910718 DCFZQSYGAMMCCY-TVYUQYBPSA-N 291.112 -0.644 50 20 CBGD C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)[C@@H](C)CO1 584927242 DYNAWFVSIFFPGE-UWVGGRQHSA-N 263.102 -0.384 50 20 CBGD CC[C@H](COC)NC(=O)c1cccc(B(O)O)c1 584949447 LTMGBJVKOHSTSV-LLVKDONJSA-N 251.091 -0.479 50 20 CBGD CCOCCN(C)C(=O)c1ccc(B(O)O)c(F)c1 584970241 NORSAEFBAQQWPU-UHFFFAOYSA-N 269.081 -0.386 50 20 CBGD CN1CCC(C)(NC(=O)c2cc(B(O)O)ccc2F)CC1 584974179 FIKXVJBMBZCLCB-UHFFFAOYSA-N 294.135 -0.280 50 20 CBGD CC[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@H](C)O 584998305 PEWKPWWOFKXBMS-CPCISQLKSA-N 269.081 -0.605 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CS1 585002192 PURNULSDBJRYOE-LDYMZIIASA-N 265.143 -0.010 50 20 CBGD CN(CC1(C)COC1)C(=O)c1cccc(B(O)O)c1 585010365 OQDKEVFWOYKROT-UHFFFAOYSA-N 263.102 -0.525 50 20 CBGD C[C@@H](CNCc1ccc(B(O)O)o1)CN1CCCC1 585017576 ZUBNMOXLDMVBLK-NSHDSACASA-N 266.150 -0.219 50 20 CBGD OB(O)c1ccccc1CNCC[C@@]1(O)CCCOC1 585045573 IZWRTXNQMPNAFG-AWEZNQCLSA-N 279.145 -0.612 50 20 CBGD Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCB(O)O)c12 585062946 QGSFHSXOTUPUBH-UHFFFAOYSA-N 288.116 -0.104 50 20 CBGD CN(C)C(=O)NNC(=O)C1(C(=O)NC2CC2)CCC1 729348574 QTRZMLHHROTAKD-UHFFFAOYSA-N 268.317 -0.262 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CNCC(F)(F)F 733152806 QTDUSNVZKRSZJY-UHFFFAOYSA-N 279.222 -0.369 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)c1ccccn1 746813530 QNSATPTUHKRDRJ-MRVPVSSYSA-N 285.325 -0.477 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@@H]2CCC(=O)N2C)n1 753423424 ULAUQXPHCCMZSU-QMMMGPOBSA-N 278.316 -0.394 50 20 CBGD O=C(CO)NNC(=O)c1ccc2nc(O)oc2c1 753451218 BPXSQMMYJLTYJJ-UHFFFAOYSA-N 251.198 -0.713 50 20 CBGD COc1ccnc(NNC(=O)c2ccc3nn[nH]c3n2)n1 753796848 FEBDXKHJJLJGPP-UHFFFAOYSA-N 286.255 -0.092 50 20 CBGD CCCCNC(=O)NNS(=O)(=O)N1CCOCC1 765060005 GVMDDXZXDRUUGF-UHFFFAOYSA-N 280.350 -0.833 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN2C(=O)CC[C@H]2C1 766272684 RIRNWDSXUXRETD-ZJUUUORDSA-N 282.344 -0.761 50 20 CBGD COc1cccc(NNC(=O)C(=O)NCC(F)F)n1 768185641 STVHIJLLYHUMGM-UHFFFAOYSA-N 274.227 -0.085 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(F)ccc1O 769622335 WKQVWHOYYNQBGC-UHFFFAOYSA-N 283.259 -0.183 50 20 CBGD COc1cccnc1NC(=O)NNC(=O)CN(C)C 775754929 USIBRPINVSBSJP-UHFFFAOYSA-N 267.289 -0.196 50 20 CBGD CC[C@](C)(OC)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 794890207 MYONKZUPKATVIK-KWQFWETISA-N 292.357 -0.616 50 20 CBGD CC[C@@H](CO)C(=O)NNC(=O)NCC(F)(F)F 798313647 KZNKKMSDJQWXLV-YFKPBYRVSA-N 257.212 -0.102 50 20 CBGD Cc1nn[nH]c1C(=O)NNC(=O)CNc1ccccc1 800687818 GOIWQWMKAZITQK-UHFFFAOYSA-N 274.284 -0.014 50 20 CBGD CCO/C=C(/C#N)C(=O)NC1CC(NS(C)(=O)=O)C1 801463668 QPGRQSLZMFVWBL-FPLPWBNLSA-N 287.341 -0.373 50 20 CBGD CSSCCNC(=O)C[C@H](NC(C)=O)C(N)=O 803477776 KEIIJTJIVURSSU-ZETCQYMHSA-N 279.387 -0.506 50 20 CBGD Cn1cc(C(=O)NNc2ncccc2F)c(=O)n(C)c1=O 804218223 RNSKFRLMGGNQBC-UHFFFAOYSA-N 293.258 -0.625 50 20 CBGD COCCCNC(=O)NNC(=O)c1c[nH]c(C(=O)OC)c1 814625348 BWTRSTKQEOFSMT-UHFFFAOYSA-N 298.299 -0.218 50 20 CBGD C[C@H](C(=O)NNC(=O)CC1CC1)N1CCN(C)CC1 819140258 FZNFUTRPXLSHQV-SNVBAGLBSA-N 268.361 -0.430 50 20 CBGD CN1CCN(C(=O)NNC(=O)CCCC(=O)N(C)C)CC1 819721319 QHABOBDGRLADQD-UHFFFAOYSA-N 299.375 -0.767 50 20 CBGD COCCN(C)NC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F 822843160 INSPQPZYYYMPNA-JGVFFNPUSA-N 297.277 -0.090 50 20 CBGD CCN(CCO)NC(=O)[C@H](c1cncn1C)N(C)C 823879433 MKSRAJHQMHGTJS-NSHDSACASA-N 269.349 -0.632 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CN(C)[C@H]1CCSC1 823939619 MULUTGHLFCCKIE-UWVGGRQHSA-N 261.391 -0.233 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H](C)n1nnnc1C(C)(C)C 823940499 YFXGAOIRYZRNAG-RKDXNWHRSA-N 284.364 -0.125 50 20 CBGD O=C1C[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CN1 826478947 MYKITGRGVJDXAA-QMMMGPOBSA-N 287.283 -0.554 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CCNC(C)=O 830148379 TWXOFMZYBMLVTF-MRVPVSSYSA-N 258.322 -1.000 50 20 CBGD CC(=NNC(=O)NCC(=O)O)c1cc(C(N)=O)n(C)c1 833385034 RKQPTNGJJLFYQX-UHFFFAOYSA-N 281.272 -0.768 50 20 CBGD CCCNC(=O)NN=Cc1ccc(S(N)(=O)=O)o1 841622266 VQFDIUHPPMDMOJ-UHFFFAOYSA-N 274.302 -0.030 50 20 CBGD Cc1cc(C(=O)NNC(=O)Cc2nonc2C)n[nH]1 845902522 FZMSGVMAWYXDEH-UHFFFAOYSA-N 264.245 -0.587 50 20 CBGD CCONC(=O)CNS(=O)(=O)CCCCCl 846003027 PWVGTUMOEGKVAS-UHFFFAOYSA-N 272.754 -0.008 50 20 CBGD CC(C)(C)n1nnc(C=NNC(=O)c2cnccn2)n1 853286331 GVSQFISDUBKIMI-UHFFFAOYSA-N 274.288 -0.018 50 20 CBGD COC(=O)NCCCC(=O)NNC(=O)c1cc[nH]n1 855358410 JEMGJLBLQWHOCH-UHFFFAOYSA-N 269.261 -0.693 50 20 CBGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)[C@@H]1OC 858371995 LDQFSSCZPPAYEF-BBBLOLIVSA-N 297.315 -0.454 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(OC)c1C 861805736 LIDNJWBBXSPASQ-UHFFFAOYSA-N 295.295 -0.264 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2coc(C3CC3)n2)N1 862460300 FGPLUVBVCLZGAC-SSDOTTSWSA-N 278.268 -0.408 50 20 CBGD Cc1cccc(NNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)n1 862520332 TUAGTYCGIKBMHU-CKYFFXLPSA-N 279.296 -0.754 50 20 CBGD CC[S@@](=O)CCNC(=O)c1cc(B(O)O)ccc1F 863872231 DFGSGWJBECZERI-LJQANCHMSA-N 287.121 -0.996 50 20 CBGD Cc1cc(CC(=O)NNC(=O)C2(C)COC2)n[nH]1 869015279 OYUNSMKTZVWDAF-UHFFFAOYSA-N 252.274 -0.555 50 20 CBGD Cn1cncc1CNC(=O)NNC(=O)[C@@H]1CCCCO1 869223710 SINPMXQMCWCVOC-JTQLQIEISA-N 281.316 -0.180 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CC[C@H](CF)C2)N1 883738162 RNCWQGYOBHNZEV-SFYZADRCSA-N 272.280 -0.703 50 20 CBGD COCC1(C(=O)NNC(=O)CN2CCCC2=O)CC1 913732292 PLLDCBQXKCAYIZ-UHFFFAOYSA-N 269.301 -0.817 50 20 CBGD CC(=O)NNC(=O)c1c[nH]n2c1nc(=O)c1ccccc12 920430441 SJSVKEWCAQGGCR-UHFFFAOYSA-N 285.263 -0.043 50 20 CBGD CCO[C@H]1CCN(CC(=O)NNC(=O)C(C)C)C1 932974270 PRQTURLPTBFRIE-JTQLQIEISA-N 257.334 -0.099 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1C[C@H]1c1cncn1C 1119645440 SCZAFDIIGXZUPI-IVZWLZJFSA-N 252.318 -0.133 50 20 CBGD Cc1cc[nH]c1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1120376330 JXZUTLGHQWLDEG-SSDOTTSWSA-N 250.258 -0.637 50 20 CBGD Cc1cc(C)c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(O)n1 1261830207 NQENXVHBZQOPEN-QMMMGPOBSA-N 292.295 -0.556 50 20 CBGD CCOCCNC(=O)NNC(=O)C(=O)Nc1ccccn1 1319162926 FXMSOFCYCXVDPH-UHFFFAOYSA-N 295.299 -0.613 50 20 CBGD C[C@H](O)c1cn(CC(=O)NNC(=O)C2CCC2)nn1 1319264260 VRZIRFZPEBJCQG-ZETCQYMHSA-N 267.289 -0.721 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cnccc1C 1320358828 ZAMMQHAJCYLSLL-UHFFFAOYSA-N 266.257 -0.878 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC(C1CC1)C1CC1 1323454364 KMAGDFBOEFSQBW-UHFFFAOYSA-N 269.301 -0.074 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)o1 1324645605 HZEILBQWUUSYQD-ZETCQYMHSA-N 297.292 -0.653 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCCCCCO)cn1 1324853615 UUBMAUUCDUXMFJ-UHFFFAOYSA-N 283.332 -0.083 50 20 CBGD COCCCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1328782969 HYGQKZJDPKJTOL-VIFPVBQESA-N 286.332 -0.588 50 20 CBGD O=C(COCC(F)(F)F)N1CC[C@@H](B(O)O)C1 1329293622 RRJDEGFPUUGOIS-ZCFIWIBFSA-N 255.001 -0.359 50 20 CBGD C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)[C@H]1CCC(=O)N1 1329645030 QKTGHCNHBGLOIW-DJLDLDEBSA-N 281.312 -0.582 50 20 CBGD O=C(C[C@@H]1CC(=O)N1)NNC(=O)NCC(F)(F)F 1331169603 GKGXLAVEIDSAEJ-BYPYZUCNSA-N 268.195 -0.842 50 20 CBGD CNC(=O)[C@]1(C)CCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1331312073 FMYHBMIXGZMECV-GFCCVEGCSA-N 294.315 -0.778 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccoc2Cl)N1 1336669331 GYPGFNKIROYORH-ZCFIWIBFSA-N 271.660 -0.027 50 20 CBGD N#CCc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1 1341228699 CPELOXXTCJSSSD-UHFFFAOYSA-N 286.291 -0.208 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1cccc(C(N)=O)c1 1342637801 QPHRIMKELYDKOQ-UHFFFAOYSA-N 294.267 -0.499 50 20 CBGD CCn1nc(C)c(C(=O)NNC(=O)Cc2cc[nH]n2)n1 1347659969 YVGHXIRSGDGDDX-UHFFFAOYSA-N 277.288 -0.667 50 20 CBGD N#CCc1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cc1 1348490560 SQLCCTCPWSXBNV-LLVKDONJSA-N 294.141 -0.010 50 20 CBGD Cn1cc(C(=O)C(=O)NNC(=S)NC(C)(C)C)cn1 1353876484 QMGAFNYLYKPZRX-UHFFFAOYSA-N 283.357 -0.103 50 20 CBGD C[C@@H]1[C@@H](NCc2cccc(B(O)O)c2)C[C@H]2CC[C@H]1N2 1576588158 QWTIQMVENVDFRZ-QOWREQOWSA-N 274.173 -0.015 50 20 CBGD C=CCOC[C@@H](NS(=O)(=O)CCl)C(=O)O 1588866794 QICCOEAAWIREJM-ZCFIWIBFSA-N 257.695 -0.242 50 20 CBGD Cn1ccc(NNC(=O)c2coc(-c3nn[nH]n3)c2)n1 1592580497 MOAKTDPKCWFPCP-UHFFFAOYSA-N 274.244 -0.050 50 20 CBGD CNC(=O)NNC(=O)CCc1ocnc1C(=O)O 1598651429 WXRGEWUPHQQXHR-UHFFFAOYSA-N 256.218 -0.734 50 20 CBGD Nc1ncn(CC(=O)NNc2ccc(CC(=O)O)cc2)n1 1601221826 BELVDQJWMPBNFA-UHFFFAOYSA-N 290.283 -0.369 50 20 CBGD O=C(O)C1=NO[C@@]2(CCN(S(=O)(=O)CCl)C2)C1 1601743297 HSDRLOYBEICHAE-QMMMGPOBSA-N 282.705 -0.182 50 20 CBGD O=C(O)C(=O)NN=Cc1ccc(-n2cncn2)cc1 1608531004 PHHCZWNZGDCGKA-UHFFFAOYSA-N 259.225 -0.198 50 20 CBGD COC(=O)NNS(=O)(=O)CC1(C(=O)O)CCCC1 1610189724 BNCADIBODGHSCF-UHFFFAOYSA-N 280.302 -0.178 50 20 CBGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)CN)C2 1846361925 WWYHXUFOSYMBMZ-VIFPVBQESA-N 289.763 -0.598 50 20 CBGD O=C(NCCc1cccs1)NNC(=O)C(=O)NC1CC1 43310152 DVSLPXQUFMDCRM-UHFFFAOYSA-N 296.352 -0.100 50 20 CBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1 126422827 LEUHNGHKJLVOGC-UHFFFAOYSA-N 298.730 -0.013 50 20 CBGD CN1C(=O)CC[C@@H](NS(=O)(=O)CBr)C1=O 127520986 HSDZTPNYUXQICN-RXMQYKEDSA-N 299.146 -0.594 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)o1 194792125 VXOPXOLVQOTKEP-UHFFFAOYSA-N 265.269 -0.029 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCCOC 265910830 YOFGTWKDXUGUPM-UHFFFAOYSA-N 273.333 -0.135 50 20 CBGD CC[C@H]1CC[C@@H](C(=O)NNC(=O)C(=O)NC2CC2)O1 268273804 HWSCDBXFLJFIAO-IUCAKERBSA-N 269.301 -0.630 50 20 CBGD CCNC(=O)N(C)NC(=O)Cn1cc([N+](=O)[O-])nc1C 272689804 QBQFOLYNNJMMRO-UHFFFAOYSA-N 284.276 -0.208 50 20 CBGD Cc1ccn(C[C@@](C)(O)C(=O)NNC(=O)C2CC2)c(=O)c1 279179485 RTHAYCRRCKJLJI-CQSZACIVSA-N 293.323 -0.535 50 20 CBGD CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NN(C)C(N)=O 291444560 MQRRWXXHZUDLFZ-SSDOTTSWSA-N 290.320 -0.432 50 20 CBGD CCOC(=O)NNS(=O)(=O)c1cn(C)nc1C 497187336 OLLWKEXCGBVRJE-UHFFFAOYSA-N 262.291 -0.332 50 20 CBGD CN(CC(C)(C)O)C(=O)c1ccc(B(O)O)c(F)c1 584955935 UQXISFVEJWMIOF-UHFFFAOYSA-N 269.081 -0.652 50 20 CBGD CO[C@H](CNC(=O)c1ccc(B(O)O)cc1)C(C)C 584955999 VUXUEGRXADWWNO-GFCCVEGCSA-N 265.118 -0.233 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC(CCO)CC1 584967459 JZECZJFDQZOWEI-UHFFFAOYSA-N 295.119 -0.260 50 20 CBGD C[C@@H]1[C@H](N(C)C)CCN1C(=O)c1ccc(B(O)O)cc1 584993005 REYIHPSFEJKRPC-ZWNOBZJWSA-N 276.145 -0.469 50 20 CBGD C[C@@H]1SCC[C@H]1NC(=O)c1ccc(B(O)O)cc1 585003576 ULHPPZLCIDEBQL-GZMMTYOYSA-N 265.143 -0.010 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2[C@@H]3COC[C@H]3[C@@H]2C1 585010142 LELYFZIUOWOTPV-CRWXNKLISA-N 287.124 -0.669 50 20 CBGD C[C@@H]1C[C@H](NCc2cccc(B(O)O)c2)CCN1C 585026596 IGJBMLRIGVTYJD-BXUZGUMPSA-N 262.162 -0.061 50 20 CBGD OCCCN1CCC[C@@H]1CNCc1ccc(B(O)O)cc1 585043122 IABYQJFIIVNHRN-OAHLLOKOSA-N 292.188 -0.697 50 20 CBGD CS(=O)(=O)CCCCNCc1ccc(B(O)O)cc1 585048179 KLGPNEYDNVZAMV-UHFFFAOYSA-N 285.174 -0.719 50 20 CBGD O=C(COc1cccc(Br)c1)NCB(O)O 585057735 YKAQCLLDKAZUQG-UHFFFAOYSA-N 287.906 -0.044 50 20 CBGD C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CC[C@H](B(O)O)C2)C1 585057851 MIBFJRKJVWILQL-MXWKQRLJSA-N 290.194 -0.242 50 20 CBGD C[C@@H]1CCCCN1S(=O)(=O)N1CC[C@H](B(O)O)C1 585058359 YOUHYLOXYIUSIL-ZJUUUORDSA-N 276.167 -0.346 50 20 CBGD O=C(NCB(O)O)c1ccc(C(=O)NC2CC2)cc1 585062294 FMTFERYIWQKYDP-UHFFFAOYSA-N 262.074 -0.679 50 20 CBGD O=C(NCB(O)O)c1n[nH]c2ccc([N+](=O)[O-])cc12 585062586 UTGMONCIYUTKSG-UHFFFAOYSA-N 264.006 -0.787 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1C[C@H]2CC[C@H]1O2 733776685 OUPQTXUMRIZRBR-OPRDCNLKSA-N 269.301 -0.373 50 20 CBGD COc1ccnc(NNC(=O)NCC[S@@](C)=O)n1 745845136 NUORGZAOBLLUJK-GOSISDBHSA-N 273.318 -0.510 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CN(CCO)CCO)cc1 754246478 KBHAZKCTTDHCJB-UHFFFAOYSA-N 295.339 -0.957 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCO[C@@H]([C@@H]2CCCO2)C1 756896570 LPNDGNZWNXIJSH-SDDRHHMPSA-N 299.371 -0.188 50 20 CBGD Cn1ccnc(NC(=O)NNC(=O)C2CCC2)c1=O 757904714 BEPRHFFMBAWXIA-UHFFFAOYSA-N 265.273 -0.267 50 20 CBGD CC(C)OC[C@@H]1CN(CC(=O)NNC(=O)C2CC2)CCO1 770707552 UQBGQNLMCURQRT-LBPRGKRZSA-N 299.371 -0.330 50 20 CBGD Cn1cc(C(=O)NCCCSC#N)c(O)nc1=O 774299364 XMXFZTOVHLOGHK-UHFFFAOYSA-N 268.298 -0.180 50 20 CBGD COc1ccnc(NNC(=O)CSc2n[nH]c(O)n2)n1 776330301 LGDRVOOWTWWKFV-UHFFFAOYSA-N 297.300 -0.456 50 20 CBGD CCSc1cc(C(=O)NNC(=O)CO)ccn1 777781746 DOTNOJVBVRSDDT-UHFFFAOYSA-N 255.299 -0.053 50 20 CBGD COc1ccc(OCCCC(=O)NNC(=O)CO)cc1 777781776 GFAYZXBROMVRKL-UHFFFAOYSA-N 282.296 -0.006 50 20 CBGD COc1cncc(C(=O)NNC(=O)Cc2cc[nH]n2)n1 790597715 SGRXRBWLUVDYSL-UHFFFAOYSA-N 276.256 -0.788 50 20 CBGD CCOC(=O)c1cc(C=NNC(=O)NCC(=O)OC)on1 793041010 ZXDMEXUVTDYQEP-UHFFFAOYSA-N 298.255 -0.343 50 20 CBGD COc1cc(C)nc(NNC(=O)CC2OCCO2)n1 793598926 NELYBBJRVDFCEQ-UHFFFAOYSA-N 268.273 0.000 50 20 CBGD CC(C)[C@H](O)C(=O)NNc1nc(O)c2cnn(C)c2n1 813452874 UQWMKRSNKJYHNE-ZETCQYMHSA-N 280.288 -0.471 50 20 CBGD C[C@@H](CS(C)(=O)=O)NC(=O)NNc1ncncc1F 814310634 VFACRJOQGIPLEC-LURJTMIESA-N 291.308 -0.325 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cn(C)nc1-c1cnn(C)c1 823935550 SVKCUUPSBKKOHO-SECBINFHSA-N 292.343 -0.222 50 20 CBGD CC(C)(CN1CCOCC1)C(=O)NNC(=O)c1cc[nH]n1 824400840 GISQIFNKUIUFFZ-UHFFFAOYSA-N 295.343 -0.471 50 20 CBGD CC(C)(C(=O)NNC(=O)CO)c1ccc2c(c1)OCO2 827893471 FRKDODZBWXYFCZ-UHFFFAOYSA-N 280.280 -0.167 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)Cc1ncc[nH]1 831790183 JDWMDOFHWZVSSA-UHFFFAOYSA-N 297.315 -0.376 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cccc(C(=O)O)n2)n[nH]1 832864564 NRJZNHNDNLXLDV-UHFFFAOYSA-N 289.251 -0.114 50 20 CBGD CN1CCC[C@@H]1CNC(=O)NNC(=O)[C@@H]1CCCCO1 836345779 MLYYFIBUDPLEOM-MNOVXSKESA-N 284.360 -0.020 50 20 CBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)NCC1CC1 841385227 UVCHKVFSMSLTOH-VDTYLAMSSA-N 256.262 -0.776 50 20 CBGD C[C@H]1CC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CO1 842524849 IJMJJRAOTXKURX-JGVFFNPUSA-N 275.330 -0.363 50 20 CBGD COC(=O)C12CC(C(=O)NNc3nnc(C)c(O)n3)(C1)C2 844128682 QYVBFMKEVFYJGQ-UHFFFAOYSA-N 293.283 -0.328 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](CO)CCF 846718569 PYGDUODRZTZBPB-CIUDSAMLSA-N 277.296 -0.538 50 20 CBGD O=C(C[C@H]1CCCOC1)NNC(=O)c1cc[nH]n1 855356497 NHZNYHBPAZYRJG-MRVPVSSYSA-N 252.274 -0.013 50 20 CBGD CCc1nn(C)cc1C(=O)NNC(=O)c1cc[nH]n1 855358003 XWSSOGCVYKXBKG-UHFFFAOYSA-N 262.273 -0.220 50 20 CBGD C[C@@]1(CNC(=O)NNC(=O)c2cn[nH]c2)CCCO1 858289690 KDNUSRXAEYAMSW-NSHDSACASA-N 267.289 -0.077 50 20 CBGD C#C[C@H](CC)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858395919 SSUNTMHVWHGVRW-SFYZADRCSA-N 252.274 -0.993 50 20 CBGD COC1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCCC1 862459263 QHTJTPVUICWNEQ-QMMMGPOBSA-N 269.301 -0.628 50 20 CBGD CCNC(=O)NNS(=O)(=O)C1(COC)CC1 882683641 NDQGEGCNPSMRIE-UHFFFAOYSA-N 251.308 -0.681 50 20 CBGD N#C[C@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 928233063 ZXFCRAAMNSZAMT-SECBINFHSA-N 276.076 -0.119 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1csc(N)n1 1118892091 HJTJESCETWYXKM-UHFFFAOYSA-N 276.343 -0.390 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CS[C@H]1CCS(=O)(=O)C1 1119581848 NOJLMMMGRSQMJV-BDAKNGLRSA-N 296.414 -0.750 50 20 CBGD CC[C@H](NC(C)=O)C(=O)NNC(=O)C1CCOCC1 1119664760 GNYCKYWELSBGTN-JTQLQIEISA-N 271.317 -0.525 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H]1CCC(=O)NC1 1119911299 MHAYJQOKAPNYHI-SECBINFHSA-N 251.286 -0.537 50 20 CBGD C[C@@H](NC(=O)c1ccoc1)C(=O)N1CC[C@H](B(O)O)C1 1261844704 YAKJUHYUTZRXHN-SCZZXKLOSA-N 280.089 -0.527 50 20 CBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)C1CCC1 1263730435 ZDBJBMHIIANFAF-KOLCDFICSA-N 266.345 -0.678 50 20 CBGD CCOCC(=O)NNC(=O)NCc1nncn1CC 1318407434 ZLXFHUWYCBXXDT-UHFFFAOYSA-N 270.293 -0.835 50 20 CBGD O=C1COc2ncc(C(=O)NNc3ncccn3)cc2N1 1319849502 HUEIEUOHSCRHKR-UHFFFAOYSA-N 286.251 -0.041 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)C1CCOCC1 1321253932 GILYIYLWLQITBT-UHFFFAOYSA-N 295.295 -0.417 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCC(F)(F)F)N1 1321298386 ATXNCMCJQFCWOQ-SCSAIBSYSA-N 268.195 -0.842 50 20 CBGD COC(=O)N(C)NC(=O)CS[C@H]1CCS(=O)(=O)C1 1322016132 YEOXABSKUGZGCP-ZETCQYMHSA-N 296.370 -0.364 50 20 CBGD C#CCNC(=S)NNC(=O)NCC(F)(F)F 1323054081 VFELPYOYKFLXET-UHFFFAOYSA-N 254.237 -0.140 50 20 CBGD Cc1ccc(F)cc1NC(=O)C(=O)NNC(=O)CCO 1323944232 VOOBMEWLOBZEKD-UHFFFAOYSA-N 283.259 -0.398 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CCC(=O)[C@H](C)C1 1329608452 OBBIOLLQIXUTLU-ZJUUUORDSA-N 286.328 -0.198 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNC(=O)c1c[nH]nc1C 1336971026 KZHYDHPXEDOVBQ-JTQLQIEISA-N 281.316 -0.800 50 20 CBGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@H]1C[C@@H]1F 1348864828 YOXDGOXITIWVBW-BQBZGAKWSA-N 285.300 -0.017 50 20 CBGD Cc1noc(C)c1[C@@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1351627912 LLWDRPLQOKBZGY-MUWHJKNJSA-N 294.311 -0.179 50 20 CBGD CCCNC(=O)NNC(=O)[C@]1(C)C[C@@H](N)CCO1 1577545435 VRPZHSIZUXFEKG-KWQFWETISA-N 258.322 -0.377 50 20 CBGD C[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@H]1CN 1579436292 ATFVOABRRZCEDE-RKDXNWHRSA-N 280.108 -0.828 50 20 CBGD N#CCc1ccsc1C(=O)NNC(=O)NCCN 1580056170 NAKTUINBBJFQHD-UHFFFAOYSA-N 267.314 -0.283 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCC12OCCO2)[C@H]1CCN1 1580733001 LSCXGHZKSYMINO-DTWKUNHWSA-N 269.301 -0.961 50 20 CBGD O=C(NNC(=O)[C@@H]1CCN1)c1ccn(CC(F)F)n1 1580736014 LDIDRJZQVHCFPR-LURJTMIESA-N 273.243 -0.729 50 20 CBGD C[C@@H](O)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1589993348 UAJPVHBXOLVZHQ-ZCFIWIBFSA-N 276.256 -0.992 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@H](C(=O)O)C(C)C)n[nH]1 1594300334 GAILFLLVOATYRI-SNVBAGLBSA-N 282.300 -0.235 50 20 CBGD NC(=O)c1ccc(NNC(=O)CCCCC(=O)O)nn1 1594650150 RJYOLLMPIYJHOV-UHFFFAOYSA-N 281.272 -0.336 50 20 CBGD O=C(O)COCC(=O)NNC(=O)NC1CCCCC1 1595107405 WOEHRYGVBPPASX-UHFFFAOYSA-N 273.289 -0.249 50 20 CBGD CCN(CCO)NC(=O)c1ccoc1CC(=O)O 1596341036 WWNSGXIMCUMYRO-UHFFFAOYSA-N 256.258 -0.134 50 20 CBGD COCc1ccc(NC(=O)C(=O)NNC(=O)C(=O)O)cc1 1599294622 GPOUJSUORLBJAB-UHFFFAOYSA-N 295.251 -0.997 50 20 CBGD O=C(NC[C@H]1C[C@H]1C(=O)O)NNC(=O)c1ncccn1 1601528392 ZDLJGIOAWQEPSG-RNFRBKRXSA-N 279.256 -0.859 50 20 CBGD NC(=O)CCC(=O)NNc1ncccc1C(=O)O 1605627610 HSFCPNHCFVBIQP-UHFFFAOYSA-N 252.230 -0.512 50 20 CBGD OB(O)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nc2)C1 1607091777 LIXHXSUTUOFWKS-SSDOTTSWSA-N 260.066 -0.685 50 20 CBGD Cn1nncc1NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1609483764 VIDFNSVJQAXLQC-UHFFFAOYSA-N 285.271 -0.248 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)O)cc1 1609622479 ZGGOLIYQYOWBIE-UHFFFAOYSA-N 265.225 -0.509 50 20 CBGD CC(C)(O)CN1CCC(=NNC(=O)C(=O)O)CC1 1609681489 QJARTMWWBBBMBA-UHFFFAOYSA-N 257.290 -0.590 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)O)cc1 1610190247 KDOPCOFQWAZBDY-UHFFFAOYSA-N 281.224 -0.290 50 20 CBGD CC(=O)N[C@@H](C(=O)NNC(=O)c1ccc[nH]1)C(C)C 102491663 CYXLACGJDIFWQD-SNVBAGLBSA-N 266.301 -0.064 50 20 CBGD CC(C)(C)C(=O)NNC(=O)NCC(=O)NCC1CC1 181065579 GPJFNRVZWGMZSV-UHFFFAOYSA-N 270.333 -0.111 50 20 CBGD CCOCCC(=O)NNC(=O)C(=O)N1CCCC1 264008566 WHRQAKZRLLIHLC-UHFFFAOYSA-N 257.290 -0.817 50 20 CBGD CN(NC(=O)[C@@H]1COc2ccccc2O1)C(N)=O 272249276 ZABQFZCAXBHBSY-VIFPVBQESA-N 251.242 -0.132 50 20 CBGD CCN1CCN(CC(=O)N2CC=C(C#N)CC2)C(=O)C1=O 272642673 DTAAPHVFSCSEBA-UHFFFAOYSA-N 290.323 -0.641 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H]2C[C@@]23CCOC3)CC1 377208673 ONEBCSWVJAJKHY-GXFFZTMASA-N 282.344 -0.599 50 20 CBGD COC(=O)N(C)NC(=O)[C@H](C)N1CCN(C)CC1 495626323 OUSOUAXUEUJJEE-VIFPVBQESA-N 258.322 -0.648 50 20 CBGD C[C@@]1(CCC(=O)Nc2cccc(B(O)O)c2)CCC(=O)N1 584913222 RLVMZLOPFVGKRL-CQSZACIVSA-N 290.128 -0.246 50 20 CBGD CCC(CC)[C@@H](O)CNC(=O)c1cccc(B(O)O)c1 584959220 FBCPFEYGRXJOFM-ZDUSSCGKSA-N 279.145 -0.107 50 20 CBGD C[C@@H]1CN(C2CC2)C[C@@H]1NCc1ccc(B(O)O)cc1 585028687 OHBFSBRETZVKMX-ABAIWWIYSA-N 274.173 -0.061 50 20 CBGD C[C@@H](C#N)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 736667782 QREOTOJIXRNIMT-QMMMGPOBSA-N 299.290 -0.146 50 20 CBGD CCNC(=O)NNS(=O)(=O)CCOC(C)C 749010724 IYVUAAMPVGWWCV-UHFFFAOYSA-N 253.324 -0.435 50 20 CBGD C[C@H]1CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)CN1C 761810644 SUERDBKZFKIWJB-JGVFFNPUSA-N 276.362 -0.880 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc1F 775958040 CKICKDVEKWWWID-UHFFFAOYSA-N 288.300 -0.060 50 20 CBGD CN(NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C(N)=O 778417335 SDCHKMNRNPGPGC-RKDXNWHRSA-N 296.327 -0.407 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)[C@@H]1CCOC1 782477004 CCIHYNWNOHSHJH-SSDOTTSWSA-N 251.308 -0.729 50 20 CBGD C=CCNC(=S)NNC(=O)C(=O)NCC1CC1 798306470 ISSNUFKXQCVYCR-UHFFFAOYSA-N 256.331 -0.806 50 20 CBGD CCOCC(=O)NNC(=O)NCc1cc(C)nn1C 807224362 OBZMFTREMKCHGO-UHFFFAOYSA-N 269.305 -0.405 50 20 CBGD CNC(=O)NCCC(=O)NNC(=O)NCC(F)(F)F 816565643 WXOYVIIKYRWPGA-UHFFFAOYSA-N 285.226 -0.802 50 20 CBGD C=CCCn1cc(C(=O)NNC(=O)c2cc(C)[nH]n2)nn1 819441723 NGWQKAMXZPFUHR-UHFFFAOYSA-N 289.299 -0.039 50 20 CBGD CC(C)NC(=O)CN(C)CC(=O)NN(C)C1CC1 819643157 YNQKNMITKPPBAG-UHFFFAOYSA-N 256.350 -0.432 50 20 CBGD CC(C)NC(=O)C(=O)NN=C1CCN(CCO)CC1 819802883 CPKAHVVUFFVDQI-UHFFFAOYSA-N 270.333 -0.929 50 20 CBGD CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)c1cnn(C)c1 822576219 PKERFMHMNRPQBQ-VXNVDRBHSA-N 254.290 -0.412 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CC1OCCCO1 843657566 POTWMESRPGKNGR-BDAKNGLRSA-N 272.301 -0.288 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)NCCn2cnnn2)cn1 845793341 GKCVSWCBZKXSKF-WMZJFQQLSA-N 272.272 -0.870 50 20 CBGD CCONC(=O)CNC(=O)/C(C#N)=C/c1cnn(C)c1 846491768 UBRVEPHUBOXISN-ONNFQVAWSA-N 277.284 -0.489 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN[C@@H]1C[C@H](O)C1(C)C 846962368 XTDVOMUAUMTXMS-BDAKNGLRSA-N 271.361 -0.071 50 20 CBGD Cc1ncc(S(N)(=O)=O)cc1C(=O)NN(C)C1CC1 848229499 MIFKBMBUQCHTNI-UHFFFAOYSA-N 284.341 -0.224 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NNC(=O)c1cc[nH]n1 855357216 DNPPIYJUGYHYQC-SECBINFHSA-N 281.316 -0.861 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)c1cc[nH]n1 855359481 TXZXANYIWZZDQK-ZCFIWIBFSA-N 253.262 -0.915 50 20 CBGD CN1C(=O)CC[C@@H]1CC(=O)NNC(=O)c1cccc(F)n1 856428599 YNVIWDNBEVZONF-MRVPVSSYSA-N 294.286 -0.007 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)c2cccc(Cl)n2)C1 857324049 AYWZJRAQJLBPIX-VIFPVBQESA-N 298.730 -0.173 50 20 CBGD C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)CO)C1 857862865 MKULOMHXFSHFRT-HTRCEHHLSA-N 252.274 -0.785 50 20 CBGD CCOC(=O)NNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 858112417 LYSYYLJNCBADGF-MRVPVSSYSA-N 295.299 -0.450 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCN1C(C)(C)C 862994769 WUYWEEOXTVFZNX-VIFPVBQESA-N 256.350 -0.432 50 20 CBGD O=C1CC[C@H](C(=O)NN=C2CCN3CCC[C@H]23)N1 863148015 QXPXWSVKGZEQDX-NXEZZACHSA-N 250.302 -0.395 50 20 CBGD COC(=O)C(C)(C)CS(=O)(=O)N1CC[C@@H](B(O)O)C1 864232627 RBTIGWLXHOQATF-MRVPVSSYSA-N 293.150 -0.936 50 20 CBGD O=C1NCCC[C@@H]1C(=O)NNC(=S)NCC1CCC1 869217142 OPEMZLJAUMHSGU-VIFPVBQESA-N 284.385 -0.192 50 20 CBGD COCCOCC(=O)NNC(=O)CN(C)C(C)C 869908946 CJKOXOLUHIRMOE-UHFFFAOYSA-N 261.322 -0.863 50 20 CBGD O=C(CN1CCCS1(=O)=O)NNc1ccc(F)cn1 874651945 YQGVPAYBNMFIRH-UHFFFAOYSA-N 288.304 -0.301 50 20 CBGD C=CCOC[C@H](NCc1ccc(B(O)O)cc1)C(=O)O 901811394 SKXSFZDHKNVYDV-LBPRGKRZSA-N 279.101 -0.888 50 20 CBGD O=C(NCC1CC1)NNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21 906417526 LWGSSTUEMAQEHP-FKTZTGRPSA-N 251.286 -0.048 50 20 CBGD COc1cccc(C(=O)NNC(=O)[C@@H](C)NC(C)=O)c1O 919757067 VTIFAJVYKRZYRD-SSDOTTSWSA-N 295.295 -0.314 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 1116598499 JBMWWHWFBBSOII-UHFFFAOYSA-N 264.216 -0.197 50 20 CBGD COc1cc(NC(=O)C(=O)NNC(C)=O)ccn1 1260073246 ISEPICGIMMMYMN-UHFFFAOYSA-N 252.230 -0.804 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1cccc2cnccc12 1320520940 KLGOQNDBMZDTAM-UHFFFAOYSA-N 288.263 -0.687 50 20 CBGD O=C(NNC(=O)C1CC1)c1cn(C2CCOCC2)nn1 1324024140 PEOOCYPYIUWZLE-UHFFFAOYSA-N 279.300 -0.199 50 20 CBGD CN(NC(=O)CCn1cc(S(N)(=O)=O)cn1)C1CC1 1325903663 OTIMCMFMEJYLOI-UHFFFAOYSA-N 287.345 -0.954 50 20 CBGD CN(C)N(C(=O)[C@@H]1CCC(=O)C1)[C@H]1CCS(=O)(=O)C1 1326343041 NLOILOIQZCUMRT-ZJUUUORDSA-N 288.369 -0.152 50 20 CBGD O=C(CC1CC1)NNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1326528677 INBOMBDJYCSMED-UHFFFAOYSA-N 290.283 -0.981 50 20 CBGD CCn1ncnc1C=NNC(=O)C(=O)NC1CC1 1327132319 XWQXKLCRPLLIFI-UHFFFAOYSA-N 250.262 -0.973 50 20 CBGD CN(C)C(=O)CNC(=O)NNC(=O)c1cccc(F)n1 1328394152 NLQMARXPCHWCBZ-UHFFFAOYSA-N 283.263 -0.747 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCN([C@H]2CCOC2)CC1 1328428504 CULNKOBRFOYMAE-LBPRGKRZSA-N 298.387 -0.804 50 20 CBGD NC1(CNC(=O)NNC(=O)C2CCNCC2)CCCC1 1330519064 HZTHJRUZHYTXHS-UHFFFAOYSA-N 283.376 -0.412 50 20 CBGD Cn1nc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1Cl 1331692542 ZFFXUZRNRPKWKR-RXMQYKEDSA-N 285.691 -0.887 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc(Cl)nn2)N1 1335417232 JEKVXVDQMAOPOH-RXMQYKEDSA-N 283.675 -0.830 50 20 CBGD NC(=O)c1ccc(NNC(=O)c2cncc(F)c2)nn1 1340306072 HWXCZNUJHRWXAK-UHFFFAOYSA-N 276.231 -0.134 50 20 CBGD Cc1nn[nH]c1C(=O)NNC(=O)NCc1ccco1 1344083947 OQHWKHKEKKIZMY-UHFFFAOYSA-N 264.245 -0.150 50 20 CBGD CC(C)(C)C(=O)NNC(=O)[C@@H]1CC(C(=O)O)=NO1 1573390151 IPUKQMCOSNVNGD-LURJTMIESA-N 257.246 -0.591 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)[C@@]1(C)C[C@@H](O)CN1 1574166176 WQUBTZAGPPTWJE-QMTHXVAHSA-N 277.324 -0.131 50 20 CBGD CCCNNC(=O)c1cccc(-n2[nH]nnc2=N)c1 1577574544 FSIGDOGQTFTDJD-UHFFFAOYSA-N 261.289 -0.281 50 20 CBGD CNNC(=O)CNc1ccc(S(N)(=O)=O)cc1F 1578745510 XXQQEUJMWMAHKQ-UHFFFAOYSA-N 276.293 -0.864 50 20 CBGD N[C@H](Cc1ccccn1)C(=O)NNC(=O)c1cccnn1 1580409457 ITKSMVXLFIQZHX-SNVBAGLBSA-N 286.295 -0.797 50 20 CBGD N[C@H]1CC[C@H](C(=O)NNC(=O)c2cnsn2)CC1 1580415363 JVDLLTRPUJGKBY-LJGSYFOKSA-N 269.330 -0.183 50 20 CBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1ncccc1C(=O)O 1589415716 LLCIARKWQRGIGF-CAHLUQPWSA-N 280.240 -0.280 50 20 CBGD CC(C)C(=O)NNC(=O)CN1C[C@@H](C)[C@H](CC(=O)O)C1 1590939540 ZADJLWXZHXRGMD-NXEZZACHSA-N 285.344 -0.168 50 20 CBGD CSCCNC(=S)NNC(=O)[C@H]1CC[C@H]1C(=O)O 1594186274 HZCLFIBLNQOLID-NKWVEPMBSA-N 291.398 -0.045 50 20 CBGD Cc1nnc(NNC(=O)[C@]2(C(=O)O)C[C@H]2C)nc1O 1594492796 LAQTWODLLRLOBH-KNODYTOMSA-N 267.245 -0.560 50 20 CBGD O=C(O)CC[C@@H]1C[C@H](C(=O)NNC(=O)C2CC2)CO1 1595003584 FLXODXYDAIAJMQ-DTWKUNHWSA-N 270.285 -0.186 50 20 CBGD O=C(O)Cn1cccc(C(=O)NNc2ncccn2)c1=O 1595156113 FFVTZFHXTWRBBQ-UHFFFAOYSA-N 289.251 -0.520 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)O 1598884401 YDAVRVZLKKLWDV-UHFFFAOYSA-N 284.228 -0.653 50 20 CBGD Cc1ccc(CNC(=O)NNC(=O)C(=O)O)cc1 1600416951 YPEBUOCGDOZOGP-UHFFFAOYSA-N 251.242 -0.090 50 20 CBGD Cn1cccc1C(=O)NNC(=O)Cn1cc(C(=O)O)cn1 1600978872 UBZDURPKMSZSID-UHFFFAOYSA-N 291.267 -0.619 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNC(=O)CCc1ccccc1O 1604433692 GPOBFEZQCDGKHL-NSHDSACASA-N 296.279 -0.428 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)N2CCO[C@H](C(=O)O)C2)cn1 1608108911 FXRXCLORKCXCBL-INJWIWPUSA-N 290.279 -0.361 50 20 CBGD CN(C)S(=O)(=O)/C(C#N)=C\c1c(C(=O)O)cnn1C 1777033733 GEPMBGYCCHFWMI-DAXSKMNVSA-N 284.297 -0.126 50 20 CBGD CCOC(=O)NNS(=O)(=O)c1cc(C(N)=O)n(C)c1 28196648 DCIQCPRMMANMIF-UHFFFAOYSA-N 290.301 -0.937 50 20 CBGD Cc1cc2c(cc1C)[C@@H](C(=O)NNC(=O)CO)CO2 184489565 UBHSWDKNJUPNPZ-JTQLQIEISA-N 264.281 -0.081 50 20 CBGD CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NN)c1 193441952 SPVRMPSEPYYUMD-UHFFFAOYSA-N 261.278 -0.321 50 20 CBGD COCCOCC(=O)N1CC(CO)(CBr)C1 261507666 KXBGIDBCEQZCIK-UHFFFAOYSA-N 296.161 -0.135 50 20 CBGD C[C@@H](N)CN(C)CC(=O)NNC(=O)c1cccs1 381141436 DOQNEXBMXNRIAR-MRVPVSSYSA-N 270.358 -0.212 50 20 CBGD COC(=O)N(C)CC(=O)NNc1ccnc(N(C)C)n1 491476668 MPVNOLGCNFFUOC-UHFFFAOYSA-N 282.304 -0.316 50 20 CBGD CCCNC(=O)CCNC(=O)c1cccc(B(O)O)c1 584932908 AUUOQFMQUWVLOE-UHFFFAOYSA-N 278.117 -0.988 50 20 CBGD CN(C)[C@H]1CCC[C@H](NC(=O)c2cccc(B(O)O)c2)C1 584960759 NBXOEIUWESFOIX-KBPBESRZSA-N 290.172 -0.031 50 20 CBGD C[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H](C(N)=O)C1 584973390 HNWAJHKEJVJSOK-JOYOIKCWSA-N 290.128 -0.908 50 20 CBGD O=C(N[C@@H](CO)CC(F)F)c1ccc(B(O)O)cc1 584982420 KJNVHTXHUJSTAE-SECBINFHSA-N 273.044 -0.888 50 20 CBGD N#CCC1(CNC(=O)c2ccc(B(O)O)cc2)CC1 584983070 KLAKOYDUGYKJNS-UHFFFAOYSA-N 258.086 -0.210 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@H]1CCO 584998086 ONQUOOJBOJDGRM-GFCCVEGCSA-N 263.102 -0.647 50 20 CBGD C[C@H]1CC[C@@H](CNC(=O)c2ccc(B(O)O)c(F)c2)O1 584998732 QRXYMQFWQFRSSZ-WPRPVWTQSA-N 281.092 -0.197 50 20 CBGD CN(C)C1(CNC(=O)c2ccc(B(O)O)cc2)CC1 585000204 KMLFQFBZJOHLST-UHFFFAOYSA-N 262.118 -0.810 50 20 CBGD CCO[C@@H]1C[C@@H](NCc2ccc(B(O)O)cc2)[C@H]1OC 585035823 YZEYYTQLHNYMPQ-MGPQQGTHSA-N 279.145 -0.352 50 20 CBGD O=S(=O)(CBr)N1C[C@@H](CO)[C@H](CO)C1 705322347 GWDZOPXFEJLAGY-BQBZGAKWSA-N 288.163 -0.799 50 20 CBGD CC(C)(NC(=O)O)C(=O)NNC(=O)c1ccccn1 736337499 RERIANUUILBXTL-UHFFFAOYSA-N 266.257 -0.111 50 20 CBGD COCC(C)=NNC(=O)Cc1cc(O)nc(O)n1 743445989 LWXFTYMTFBAPAC-UHFFFAOYSA-N 254.246 -0.431 50 20 CBGD Cn1cc([C@H](O)CNC(=O)NNC(=O)C(C)(C)C)cn1 743597753 FSRVVBAFNIRHOV-SECBINFHSA-N 283.332 -0.170 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cc(F)cc(C(=O)O)c1 749144327 WKXXFQCZCVPABU-UHFFFAOYSA-N 291.260 -0.354 50 20 CBGD O=C(CCN1CCOCC1)NNC(=O)c1ccc[nH]1 751201541 SSHTUAJBMGBOIP-UHFFFAOYSA-N 266.301 -0.502 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(C#N)cc1OC 766363203 WEPIXRRNBIOFOW-UHFFFAOYSA-N 284.297 -0.311 50 20 CBGD O=C(Cn1cnnn1)NNc1ncnc2ccsc12 766669994 NQVOXONQBRLBER-UHFFFAOYSA-N 276.285 -0.179 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCc2n[nH]cc2C1 768245603 TYLZLDUPQRVYRH-ZETCQYMHSA-N 266.301 -0.567 50 20 CBGD CCCOCC(=O)NNc1nc(O)c2cnn(C)c2n1 770974523 USWMOOXLFKVMPO-UHFFFAOYSA-N 280.288 -0.061 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@@H](C)OC 772065431 RLYXIYZNJXXNNL-HTQZYQBOSA-N 260.290 -0.100 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cc(C#N)c[nH]2)CC1 773658710 OSURTZKHIGNORC-UHFFFAOYSA-N 276.300 -0.512 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCN1C1CC1)C(=O)NC1CC1 786733456 YMPHQHXSHNFZEZ-JTQLQIEISA-N 280.328 -0.961 50 20 CBGD COCCONC(=O)NNc1nc2ccccn2n1 789336809 HFKFHLBWZKUVGG-UHFFFAOYSA-N 266.261 -0.067 50 20 CBGD C[C@@H]1c2nncn2CCN1CC(=O)NNC(=O)C(C)(C)C 792381015 VOAXUOXFRQHGSH-SECBINFHSA-N 294.359 -0.152 50 20 CBGD CCNC(=O)NNC(=O)c1cc([N+](=O)[O-])cn1C 797963602 VTGKIUQKLFVKJD-UHFFFAOYSA-N 255.234 -0.103 50 20 CBGD CO[C@H]1CCC[C@@H](C(=O)NNC(=O)C(=O)NC2CC2)C1 814378749 DHSGUMZJISULNV-SCZZXKLOSA-N 283.328 -0.382 50 20 CBGD COCCN(C)S(=O)(=O)NNC(=O)c1cccn1C 821135992 YJIXFBDQQUHKEG-UHFFFAOYSA-N 290.345 -0.918 50 20 CBGD O=C(NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1ccncc1 823277321 KHAAEZDHONUBEO-UHFFFAOYSA-N 298.266 -0.335 50 20 CBGD CCN(CCO)NC(=O)CC[C@@]1(C)CCC(=O)N1 823869500 KNXBXEAIVOWJRI-GFCCVEGCSA-N 257.334 -0.219 50 20 CBGD CN1C(=O)CC[C@H](NC(=O)NNc2ncccc2F)C1=O 823905847 NOPJGBDJIGVEMU-QMMMGPOBSA-N 295.274 -0.006 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCc2cnn(C)c2C1 823928041 JPRYDXNQNIZQNT-ZJUUUORDSA-N 266.345 -0.131 50 20 CBGD C[C@H](C(=O)NN(C)[C@H](C)CO)N1CCSCC1 823947233 UVKFYMFHKVHKMD-NXEZZACHSA-N 261.391 -0.233 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cc[nH]n1 825795455 LGSSXTVZRNGZGV-CBAPKCEASA-N 267.289 -0.335 50 20 CBGD O=C(CCn1cncn1)NNc1cccc(-c2nn[nH]n2)c1 826409935 VEGZBDXYHPCNLK-UHFFFAOYSA-N 299.298 -0.008 50 20 CBGD CCn1cnc(C(=O)NNC(=O)Cc2cc[nH]n2)c1 826666761 IIFPNAWCVCRCRK-UHFFFAOYSA-N 262.273 -0.370 50 20 CBGD CC(C)CC(=O)NNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 827315863 VXBLDCUUMYPGQH-BDAKNGLRSA-N 286.332 -0.181 50 20 CBGD CN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)CCl 830344152 NFNAIXMOZJQEIG-LURJTMIESA-N 272.779 -0.024 50 20 CBGD O=C(NN[C@@H](C(=O)O)c1ccc(F)cc1)[C@H]1COCCO1 833149587 VCSHDHXWCYQXOW-GHMZBOCLSA-N 298.270 -0.012 50 20 CBGD CCOC(=O)[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 834854185 ZSPXYFGQSZAFAJ-NSHDSACASA-N 291.112 -0.608 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(C)(C)N1CCOCC1 843970793 LGRRBEQWRPVCKU-MNOVXSKESA-N 299.371 -0.330 50 20 CBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)NCC1CC1 847390973 PIPISZXMWSYFHM-YUMQZZPRSA-N 254.290 -0.762 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CC[C@H]2C(N)=O)o1 847554906 MDXMIXUQKGXRGR-SFYZADRCSA-N 265.269 -0.139 50 20 CBGD CN([C@@H]1CCNC1)S(=O)(=O)CBr 850582875 WHYJQBLQICNWLZ-ZCFIWIBFSA-N 257.153 -0.038 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC(=O)N(C)CC1 852577293 CKOIVVKRLYPLMZ-NSHDSACASA-N 298.387 -0.268 50 20 CBGD CC1(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)COC1 853390190 OWTVDHBKMPWGTE-MNOVXSKESA-N 267.329 -0.012 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)N=c1cc[nH]cc1 854377332 KZXFCVAPPBPSKH-VIFPVBQESA-N 268.273 -0.682 50 20 CBGD CCCN1C[C@H](C(=O)NN(C)C(=S)NC)CC1=O 854927899 STZMPJBDWPRHNV-MRVPVSSYSA-N 272.374 -0.288 50 20 CBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNC(=S)NCC1CCC1 855089067 ATDJKHLNGDDSGD-SVRRBLITSA-N 286.357 -0.221 50 20 CBGD O=C(NNc1ccnc(Cl)c1)[C@H]1CCS(=O)(=O)N1 855462338 RTLGIUYXAUOAGX-SSDOTTSWSA-N 290.732 -0.130 50 20 CBGD CCO/C=C(/C#N)C(=O)N(CCN(C)C)CC(=O)N(C)C 855694875 BFUXTKKWPGNIFX-QXMHVHEDSA-N 296.371 -0.091 50 20 CBGD Cc1cc(C)nc(NNC(=O)NC[C@@H]2COCCN2)n1 861681219 NBLSOWCXBFZHAT-SNVBAGLBSA-N 280.332 -0.292 50 20 CBGD CCc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C)nn1 862460781 JVCNZMKRZWBXJU-SNVBAGLBSA-N 291.311 -0.613 50 20 CBGD C[C@@]1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCCCO1 862460920 LHLHOSSYEALHCJ-PELKAZGASA-N 269.301 -0.628 50 20 CBGD O=C(C[C@@H]1CC[C@@H]2C[C@@H]12)NNC(=O)[C@H]1CCC(=O)N1 862461184 OEMPENDHFINKHG-UTINFBMNSA-N 265.313 -0.151 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc(F)c(O)c(F)c2)N1 862461363 OJWUZDHYSAJCAX-MRVPVSSYSA-N 299.233 -0.290 50 20 CBGD Cc1noc(CCCC(=O)NNC(=O)c2cn[nH]c2)n1 862474772 ORMNBSAASPXRBE-UHFFFAOYSA-N 278.272 -0.115 50 20 CBGD Cc1nc(CS(=O)(=O)N2CC[C@@H](B(O)O)C2)cs1 864231243 LDAKZNHSIZEFJK-MRVPVSSYSA-N 290.175 -0.170 50 20 CBGD CN(C)CCn1cc(C(=O)NNC(=O)C2CC2)cn1 864444214 XQKNCAUCTJUXON-UHFFFAOYSA-N 265.317 -0.384 50 20 CBGD CC[C@H](O)[C@H](C)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 908281947 YKMHFWMJLSFVQA-AXFHLTTASA-N 292.401 -0.114 50 20 CBGD CN1CC[C@@H]1CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 925405664 YUDGJTBBLOEQHV-KOLCDFICSA-N 290.389 -0.929 50 20 CBGD COCC(=O)NN[C@@H](C(N)=O)c1ccc(C#N)cc1 1116276584 UTPXTHRRNPWEBN-LLVKDONJSA-N 262.269 -0.648 50 20 CBGD Cc1nnc(NNC(=O)[C@]2(C)CCOC2)nc1O 1116570030 GWYXWKWYLPMGIU-SNVBAGLBSA-N 253.262 -0.245 50 20 CBGD CCO/C=C(/C#N)C(=O)NCCc1nc(N)n[nH]1 1117737370 LTKQPPYZXXPMEH-SREVYHEPSA-N 250.262 -0.510 50 20 CBGD C[C@@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CCOCC1 1118863133 IEZVQWXHAPJYBI-PSASIEDQSA-N 298.343 -0.590 50 20 CBGD O=C(NNC(=O)[C@@H]1CC12CCOCC2)C(=O)N1CCCC1 1252570267 ZGVLPGWSJWYVSC-JTQLQIEISA-N 295.339 -0.427 50 20 CBGD CC(C)(C)C(=O)N=c1cc[nH]cc1C=NNC(=O)C(N)=O 1254524089 PVXOERYLXAKTML-UHFFFAOYSA-N 291.311 -0.577 50 20 CBGD O=C([C@@H]1CCCN1c1ncccn1)N1CC[C@H](B(O)O)C1 1262157289 ZYAWQXDWOQHJMC-QWRGUYRKSA-N 290.132 -0.479 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)CC[C@H]1NC(=O)NC1=O 1317704861 NFICAJYYYLAUBM-ZCFIWIBFSA-N 286.288 -0.470 50 20 CBGD COCCCNC(=O)NNC(=O)CCCS(C)(=O)=O 1318403700 LFSNDFRNBASOHN-UHFFFAOYSA-N 295.361 -0.822 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)Cc2cccnc2)nn1 1319246997 XRBQPPAYBHFXCA-UHFFFAOYSA-N 288.267 -0.550 50 20 CBGD C[C@H](C#N)CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 1320093089 PQNXUNBNSZBWAN-SCZZXKLOSA-N 274.346 -0.473 50 20 CBGD CCc1cc(C(=O)NNC(=O)NCCCOC)nn1C 1320839774 OVYXJLOQSUSBBI-UHFFFAOYSA-N 283.332 -0.037 50 20 CBGD NS(=O)(=O)C1(C(=O)NNc2ncc(Cl)cn2)CC1 1328645556 RGQFUMCQMBQJBK-UHFFFAOYSA-N 291.720 -0.606 50 20 CBGD COCCC[C@H](C)C(=O)NNC(=O)CS(C)(=O)=O 1329128454 QPXDZJFBUJVBDF-QMMMGPOBSA-N 280.346 -0.759 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2ccccc2O)N1 1329189698 AUONKCKHZIJTKQ-SECBINFHSA-N 292.295 -0.499 50 20 CBGD O=C1CC[C@H](C(=O)NN=CCCc2cnoc2)N1 1329192032 RPVBZKWYDZYUNU-SECBINFHSA-N 250.258 -0.012 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)C2CCOCC2)C1 1330842608 XIGHXPQUCXBQOM-VIFPVBQESA-N 254.286 -0.070 50 20 CBGD CCCNC(=O)[C@H](C)NC(=O)NNC(=O)c1cnn(C)c1 1340418555 WJFJZVBBOWHMPT-QMMMGPOBSA-N 296.331 -0.721 50 20 CBGD CN1CCCC[C@H]1CNC(=O)NNC(=O)c1cccnn1 1342100125 VQZUDLBTGPGNET-JTQLQIEISA-N 292.343 -0.095 50 20 CBGD C[C@H](CC(=O)NNC(=O)[C@H]1CCN1)c1cnn(C)c1 1575924713 AGHNJTJELHKTHG-PSASIEDQSA-N 265.317 -0.577 50 20 CBGD N[C@@H]1CCC[C@H]1CC(=O)NNC(=O)C(=O)N1CCCC1 1580378601 MKGKMWJKGXXEHZ-VHSXEESVSA-N 282.344 -0.726 50 20 CBGD CC[C@@H](NC(=O)NNC(=O)C(=O)O)c1ccncc1 1595252327 DPYRCUKORCQEEZ-MRVPVSSYSA-N 266.257 -0.052 50 20 CBGD O=C(O)c1ccccc1C(=O)NNC(=O)[C@@H]1COCCO1 1602464453 MEBZAKFOWMELPF-JTQLQIEISA-N 294.263 -0.439 50 20 CBGD CC(C)(C(=O)O)C(=O)COc1ccc(B(O)O)cc1 1603241823 FUVNSSLVOGDNBU-UHFFFAOYSA-N 266.058 -0.575 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@@H](C(=O)O)O[C@H](C)C1 1604860561 WNXUIVBEGPFOKI-HLTSFMKQSA-N 287.316 -0.894 50 20 CBGD NC[C@H](N)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1 1843363612 PNMZDQNTWOEXFC-JGVFFNPUSA-N 292.742 -0.990 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNC(=S)NC(C)(C)C 28716448 HYUPDQHQMFWLTQ-YFKPBYRVSA-N 261.351 -0.663 50 20 CBGD C[C@@H](CS(C)(=O)=O)NS(=O)(=O)CBr 127492815 VVOSUFBXUHXANL-YFKPBYRVSA-N 294.192 -0.309 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)Cn2cnnn2)cc1 129155786 ROTWJFGIDIWYSB-UHFFFAOYSA-N 271.240 -0.994 50 20 CBGD COC(=O)[C@H]1CC[C@@H](C(=O)NNc2ncncc2F)O1 294188951 XFSWMBICMANDMA-JGVFFNPUSA-N 284.247 -0.221 50 20 CBGD COc1cccc(C(=O)NCC(=O)NNC(=O)C2CC2)c1 298290774 XWFVWLDENMQKDN-UHFFFAOYSA-N 291.307 -0.018 50 20 CBGD CCN1CCO[C@@H](C(=O)NNc2ncccn2)C1 371815841 XIKPMIXPNAPFHV-SECBINFHSA-N 251.290 -0.360 50 20 CBGD CCCN1CCC(NC(=O)c2ccc(B(O)O)cc2)CC1 584925020 CDEQFSYRSFNCDI-UHFFFAOYSA-N 290.172 -0.029 50 20 CBGD CC[C@](C)(CO)CNC(=O)c1ccc(B(O)O)cc1 584964899 NEFGOJLNIQMZOR-ZDUSSCGKSA-N 265.118 -0.495 50 20 CBGD CC1(CNC(=O)c2cccc(B(O)O)c2)CCOCC1 584970117 TZCNCBRPMUNTPU-UHFFFAOYSA-N 277.129 -0.087 50 20 CBGD C[C@@H]1C[C@H](O)CN1C(=O)c1cc(B(O)O)ccc1F 584980141 RNORQBBTYPPIJT-APPZFPTMSA-N 267.065 -0.899 50 20 CBGD CN(C)CC1CN(C(=O)c2cc(B(O)O)ccc2F)C1 584994800 FCOBWVLTOVBDOD-UHFFFAOYSA-N 280.108 -0.861 50 20 CBGD OC[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NCc1cccc(B(O)O)c1 585039789 BPGQJFXCWMCDNA-JURCDPSOSA-N 275.157 -0.137 50 20 CBGD OB(O)c1ccc(CNCC(O)(C2CC2)C2CC2)o1 585047875 WTJPJXJUMCLXCK-UHFFFAOYSA-N 265.118 -0.400 50 20 CBGD CC[C@H](OC)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 728160869 AOMDZKBRZMDODG-ZJUUUORDSA-N 278.374 -0.096 50 20 CBGD CO[C@@H](C)CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 728162519 ZCJUMUVVLPSSEP-UWVGGRQHSA-N 278.374 -0.096 50 20 CBGD COCCS(=O)(=O)NNC(=O)C1CCCC1 737757234 WJZOYZCSLVLHQF-UHFFFAOYSA-N 250.320 -0.226 50 20 CBGD O=C(O)C[C@H]1CCCCN1CC(=O)NNC(=O)C1CC1 739637123 XNJWQUWNGFBOQV-SNVBAGLBSA-N 283.328 -0.127 50 20 CBGD C[C@H]1CC[C@H](CCC(=O)NNC(=O)C(=O)NC2CC2)O1 743289982 HOAWHUSABRVCKY-WCBMZHEXSA-N 283.328 -0.240 50 20 CBGD COC(=O)c1cccc(NC(=O)NNC(=O)CO)c1 755842408 UYVHLOVMKLGNEH-UHFFFAOYSA-N 267.241 -0.382 50 20 CBGD CCOCC(=O)NNC(=O)Nc1ccn(CC(=O)OC)n1 756646460 NTRCOBCXNBPUJW-UHFFFAOYSA-N 299.287 -0.755 50 20 CBGD CCC[C@@H](C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758048761 VRHDGGXEZOXERO-SFYZADRCSA-N 279.362 -0.492 50 20 CBGD C[C@H]1CCCN(C(=O)C(=O)NNC(=O)Cc2cc[nH]n2)C1 767884869 KAXVNELFHQAMOY-VIFPVBQESA-N 293.327 -0.642 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCN(C)C(=O)C1 771976040 VIVAXGRONIXUFI-RKDXNWHRSA-N 299.327 -0.656 50 20 CBGD CC(C)(C)OCC(=O)NNC(=O)N1CCOCC1 778253055 OKRYUKHBIRHHHK-UHFFFAOYSA-N 259.306 -0.126 50 20 CBGD CCC(=O)N[C@H](CCSC)C(=O)NN(C)C(N)=O 778417943 ZQRFQXGSPJXSML-SSDOTTSWSA-N 276.362 -0.324 50 20 CBGD CCOC(=O)NNS(=O)(=O)C[C@H]1CCCOC1 788140329 VJHURPKWMKCJIS-QMMMGPOBSA-N 266.319 -0.007 50 20 CBGD CSSCCNC(=O)CN1CCN(C)C(=O)C1 803476376 WNNODAAUASPOIC-UHFFFAOYSA-N 277.415 -0.112 50 20 CBGD CCN(CCO)NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 823833729 GVCFXFJRSBJPES-QWRGUYRKSA-N 297.355 -0.493 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F 823934667 IXWVVINQZCPRPE-SFYZADRCSA-N 297.277 -0.117 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cc(N2CCOCC2)ccn1 823983105 LAVFGXQIGBVZDO-NSHDSACASA-N 294.355 -0.124 50 20 CBGD Cc1cc(C)cc(OCC(=O)NNC(=O)NCCN)c1 841920133 FXALFSMWIVPDHO-UHFFFAOYSA-N 280.328 -0.029 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)CC[C@@H]1N 843353945 RRELPCBQYHQBCQ-SCZZXKLOSA-N 254.334 -0.787 50 20 CBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 844620199 SEIKMOWBAJJPTL-WPRPVWTQSA-N 285.344 -0.279 50 20 CBGD C=C[C@H](CO)NC(=O)NNC(=O)[C@H]1CCO[C@H]1C 852394044 LINLXBOLNHXVBD-YIZRAAEISA-N 257.290 -0.711 50 20 CBGD CCC[C@@H](C(=O)NNc1ccncn1)S(N)(=O)=O 854747296 OGBATIKIOAZXEE-ZETCQYMHSA-N 273.318 -0.623 50 20 CBGD CCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1cc[nH]n1 855359029 BYPIIGPRCPCHRF-SNVBAGLBSA-N 293.327 -0.038 50 20 CBGD C#CCSCCNC(=O)NNC(=O)c1cn[nH]c1 858241809 FZKBYBDISGYHMQ-UHFFFAOYSA-N 267.314 -0.280 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(N)c1C 861498753 GLYNWJCAOKHPSI-UHFFFAOYSA-N 294.311 -0.300 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccnc(C3CC3)c2)N1 862460206 DLCQHRQVVCLVCK-JTQLQIEISA-N 288.307 -0.001 50 20 CBGD Cc1cc(=NNC(=O)CCSc2nnnn2C)cc[nH]1 862510518 JPOHRYRBNYJIAN-UHFFFAOYSA-N 293.356 -0.039 50 20 CBGD Cc1cc(=NNC(=O)[C@@H]2NC(=O)O[C@@H]2C)cc[nH]1 862512062 IQTMTSNLBZMIME-VXNVDRBHSA-N 250.258 -0.248 50 20 CBGD COC(=O)[C@H](NC(=O)c1cccc(B(O)O)c1)C(C)C 863869435 NHOVUTPVJZIIII-LLVKDONJSA-N 279.101 -0.706 50 20 CBGD CN(CC(=O)NNC(=O)c1cc[nH]n1)C1CCC1 863930640 SIYIRGMVNDGBMW-UHFFFAOYSA-N 251.290 -0.345 50 20 CBGD CC[C@]1(NC(=O)c2cc(B(O)O)ccc2F)CCOC1 867761013 SCWVGROGJTYGPJ-ZDUSSCGKSA-N 281.092 -0.196 50 20 CBGD Cc1cc(CC(=O)NNC(=O)COC(C)C)n[nH]1 869012177 JDOWXPYWAAVTBU-UHFFFAOYSA-N 254.290 -0.167 50 20 CBGD CCn1[nH]c(C)nc1=NC(=O)NN=c1cc[nH]cc1 888535672 QEIGBOQMJAQXIZ-UHFFFAOYSA-N 261.289 -0.006 50 20 CBGD CC(=O)NCC(=O)NNC(=O)Cn1cnc2ccccc21 913496665 VWZZOOPOKPTWQL-UHFFFAOYSA-N 289.295 -0.680 50 20 CBGD O=C(CCC1CC1)NNC(=O)CN1CCCC1=O 913730695 FPGFRZRCTLKSHO-UHFFFAOYSA-N 253.302 -0.054 50 20 CBGD Cc1ccc(S(=O)(=O)NNC(=O)c2cnccn2)cn1 1117105912 LYGBVPKMQZLMBS-UHFFFAOYSA-N 293.308 -0.197 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cc(C)c(C#N)cn1 1118311734 IXYZQQMYJYQJKU-UHFFFAOYSA-N 275.268 -0.242 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1ccsc1 1254905670 RCBGICUSCMVHSG-UHFFFAOYSA-N 293.308 -0.200 50 20 CBGD COc1coc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1=O 1256532418 KLJNLYKGUQUPFU-UHFFFAOYSA-N 292.251 -0.625 50 20 CBGD Cc1cnc(C(=O)NNc2ccc(C(N)=O)nn2)o1 1261221404 VBDLKHUQHOXWFR-UHFFFAOYSA-N 262.229 -0.371 50 20 CBGD O=C(NN=Cc1cc[nH]n1)C(=O)Nc1ccccn1 1319495653 KFEJWKITRPUESR-UHFFFAOYSA-N 258.241 -0.107 50 20 CBGD CSc1ccc(NC(=O)C(=O)NNC(=O)CCO)cc1 1320236680 CLQOBSNULYUJKY-UHFFFAOYSA-N 297.336 -0.123 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cnn(C(C)(C)C)c1 1320510892 SWPYOIMTYFXMPG-UHFFFAOYSA-N 267.289 -0.256 50 20 CBGD N#CC1(C(=O)NNc2ccc(C(N)=O)nn2)CCC1 1323769263 DWKUGSUAZNOVEU-UHFFFAOYSA-N 260.257 -0.288 50 20 CBGD COC(=O)c1cc(C=NNC(=O)C(=O)NC2CC2)on1 1324201774 KRGGKOYSGJJZBV-UHFFFAOYSA-N 280.240 -0.810 50 20 CBGD O=C(Cc1cc[nH]n1)NNc1ncnc2[nH]cnc12 1329989204 HLDNBGFIALIAJR-UHFFFAOYSA-N 258.245 -0.238 50 20 CBGD Nc1cnnc(NNC(=O)C[C@@H]2CC(=O)N2)c1Cl 1330704804 WEFHFNMQICPIJR-BYPYZUCNSA-N 270.680 -0.566 50 20 CBGD C=CC(=O)N(CC)CC(=O)NNC(=S)NC(C)C 1331921256 NGVBZQVXSNVCEO-UHFFFAOYSA-N 272.374 -0.075 50 20 CBGD CNC(=O)c1ccc(C(=O)NNc2nc[nH]n2)cn1 1343972511 HZKDZMMIQJKTRM-UHFFFAOYSA-N 261.245 -0.684 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2ccoc2)N1 1351328539 FWYJKMFKBARIKJ-QMMMGPOBSA-N 266.257 -0.611 50 20 CBGD CSCCCNC(=S)NNC(=O)c1ncon1 1355401717 FHSIYGVMNIDVGM-UHFFFAOYSA-N 275.359 -0.068 50 20 CBGD COC1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 1357150944 MRFMTGVGZOSBHE-SECBINFHSA-N 284.316 -0.883 50 20 CBGD CC(=O)N[C@@H](C(=O)NNC(=O)CCCCCN)C(C)C 1575014810 IHWKFODRRWZLIF-GFCCVEGCSA-N 286.376 -0.186 50 20 CBGD COC(=O)c1ccc(/C=C\C(=O)NNC(=O)CCCN)o1 1578865727 QEGGSUBASCSPBU-ALCCZGGFSA-N 295.295 -0.034 50 20 CBGD CN(C)CC(=O)NNC(=O)Cc1ccc(C(=O)O)nc1 1598196869 MDZOLAGLRIWNOP-UHFFFAOYSA-N 280.284 -0.969 50 20 CBGD O=C(NC[C@H]1CC[C@H](C(F)(F)F)O1)NNC(=O)C(=O)O 1608431773 GNUOYWKFIMNZEE-RFZPGFLSSA-N 299.205 -0.489 50 20 CBGD CCOC1CC(CCNC(=O)NNC(=O)C(=O)O)C1 1610025640 GMGKQZZEUPTEAV-UHFFFAOYSA-N 273.289 -0.393 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNC(=O)c1ccccc1F 26690948 ITTDCGPFCJWYMC-LURJTMIESA-N 268.248 -0.357 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)c1cn[nH]n1 48925578 AHYFPIAYYRVOJL-UHFFFAOYSA-N 275.268 -0.183 50 20 CBGD CCS(=O)(=O)CC(=O)NNC(=O)c1ccc(C)o1 176215466 XNLZQILRNNKVGX-UHFFFAOYSA-N 274.298 -0.216 50 20 CBGD O=C(NCc1ccco1)NNC(=O)[C@]1(O)CCSC1 270813356 MKPACWXAIOYLTN-NSHDSACASA-N 285.325 -0.022 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CC[C@@H]1C(=O)OC 285201461 RHQPXEJKCUOPON-SFYZADRCSA-N 271.342 -0.133 50 20 CBGD O=S(=O)(CBr)N1CC[C@@H](O)[C@H](CO)C1 306777320 NBBKNEVWQHDQND-NKWVEPMBSA-N 288.163 -0.656 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 368240136 KHDIXZNQQMEJRI-ATZCPNFKSA-N 255.318 -0.490 50 20 CBGD CO[C@@H](CNC(=O)c1ccc(B(O)O)c(F)c1)C(C)C 584953683 CBHNQBBOUMVDLO-LBPRGKRZSA-N 283.108 -0.094 50 20 CBGD C[C@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CN1C1CC1 584957663 KLOJVYMMYLGRAY-GXFFZTMASA-N 288.156 -0.279 50 20 CBGD COC1(CNC(=O)c2ccc(B(O)O)cc2)CCOCC1 584964032 CFXJLJWVKQWGMG-UHFFFAOYSA-N 293.128 -0.708 50 20 CBGD C=CCO[C@H](C)CNC(=O)c1ccc(B(O)O)cc1 584987826 ZVJRSOIDNUWTCJ-SNVBAGLBSA-N 263.102 -0.313 50 20 CBGD CN1CCC[C@H](CCNC(=O)c2cccc(B(O)O)c2)C1 584999583 XAKISGBBOKRLBW-GFCCVEGCSA-N 290.172 -0.172 50 20 CBGD OB(O)c1ccccc1CNCCN1CCCOCC1 585040905 RLXHYYCLWCWLCE-UHFFFAOYSA-N 278.161 -0.822 50 20 CBGD CN(C)[C@H]1C[C@@H](CNCc2ccc(B(O)O)o2)C1 585045246 GIVQYUWCYJXQCT-AOOOYVTPSA-N 252.123 -0.611 50 20 CBGD OB(O)c1ccc(CN[C@@H]2COC3(CCC3)C2)o1 585047929 YAHGVOIXNHMYAK-VIFPVBQESA-N 251.091 -0.239 50 20 CBGD CS(=O)(=O)CCNC(=O)NNc1ccc(F)cn1 731361489 KVGGBPUGQNUIQX-UHFFFAOYSA-N 276.293 -0.109 50 20 CBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@@H]2CCOC2)C[C@@H](C)O1 732264194 QYZCOZVKAMFNSG-GRYCIOLGSA-N 299.371 -0.330 50 20 CBGD Cn1cccc1C(=O)NNC(=O)C(C)(C)NC(=O)O 739043424 ONTKAKYATNGATQ-UHFFFAOYSA-N 268.273 -0.168 50 20 CBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)NNC(=O)C1CC1 742452110 RNNKYPXWVOPYKN-UHFFFAOYSA-N 280.240 -0.686 50 20 CBGD C[C@H](OC[C@H]1CCCO1)C(=O)NNC(=O)N(C)C 746014707 NKDZNMCDRHHLRF-DTWKUNHWSA-N 259.306 -0.127 50 20 CBGD COCC(=O)NNC(=O)Nc1cncnc1OC 757691645 ZQKROICJIRRQFI-UHFFFAOYSA-N 255.234 -0.716 50 20 CBGD CC[C@@H](C)C(=O)NNC(=O)Nc1nccn(C)c1=O 757904718 KTIRYXRMZUWELR-SSDOTTSWSA-N 267.289 -0.021 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1ccco1 764604878 BEWVFRVULOMCAR-UHFFFAOYSA-N 253.258 -0.506 50 20 CBGD O=C(CN1CCOC2(CCOCC2)C1)NNC(=O)C1CC1 767913928 ZWSDVHOZHHTCSG-UHFFFAOYSA-N 297.355 -0.575 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2CCN(C)C2=O)n1 773237909 ZUUZNLQZQYJOIZ-MRVPVSSYSA-N 279.300 -0.285 50 20 CBGD O=C(NNC(=O)c1nc[nH]n1)c1ccc(Cl)nc1 773286844 UQRFTQQBSZJSAA-UHFFFAOYSA-N 266.648 -0.072 50 20 CBGD COc1cc(OC)cc(C(=O)NNC(=O)CO)c1 777781478 UIUKSLHIUSIUAH-UHFFFAOYSA-N 254.242 -0.543 50 20 CBGD CCNC(=O)N(C)NC(=O)C(C)(C)NS(C)(=O)=O 780712871 ZAGLBFGHBQCFQK-UHFFFAOYSA-N 280.350 -0.993 50 20 CBGD CN1CCN(CC(=O)NN(C)c2ccccc2)CC1=O 781886515 ODBMAIGIDMDVDS-UHFFFAOYSA-N 276.340 -0.072 50 20 CBGD CC(C)[C@@H](F)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 784780559 BPUNFGREAKECRS-RNFRBKRXSA-N 283.325 -0.934 50 20 CBGD COC(=O)c1cn(CCNC(=O)NNC(=O)C(C)C)nn1 790913311 HFJLRLSSLKDCQM-UHFFFAOYSA-N 298.303 -0.949 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)NC2CC2)c[nH]1 814624978 DDGCEVCTLPYLNQ-UHFFFAOYSA-N 266.257 -0.092 50 20 CBGD CC(=O)N[C@@](C)(C(=O)NN(C)C[C@H](C)O)C(C)C 822557454 LSPVYIUFKOQUTD-JOYOIKCWSA-N 259.350 -0.119 50 20 CBGD COC(OC)C(=O)NNC(=S)N[C@@H](C)C1CC1 824327237 CPZBYCTYNUAOKM-LURJTMIESA-N 261.347 -0.101 50 20 CBGD O=C1C[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CN1 826478946 MYKITGRGVJDXAA-MRVPVSSYSA-N 287.283 -0.554 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CC[C@H](C(N)=O)C1 826935287 YBIROTFZZPIUPG-AXTSPUMRSA-N 298.343 -0.604 50 20 CBGD CCOCC(=O)NN=C(C)c1cn(CC(=O)O)nn1 829939499 LNZWNXHJBUJAFD-UHFFFAOYSA-N 269.261 -0.761 50 20 CBGD COCCN1CC[C@@H](NS(=O)(=O)CCl)C1 831191770 XUMLYPHESYEUEG-MRVPVSSYSA-N 256.755 -0.177 50 20 CBGD CCC[C@@H](C(=O)NN(C)CCOC)S(N)(=O)=O 854411946 ABQOCNNDOLFBKA-QMMMGPOBSA-N 267.351 -0.947 50 20 CBGD CNC(=S)N(C)NC(=O)CC[C@]1(C)CCC(=O)N1 854922545 CALUAELMDUCEST-NSHDSACASA-N 272.374 -0.097 50 20 CBGD C[C@H](NC(=S)NNC(=O)CCS(C)(=O)=O)C1CC1 855102349 JDWWFUJHSSEEIK-ZETCQYMHSA-N 293.414 -0.285 50 20 CBGD N[C@@]12CCC[C@@H]1CN(CC(=O)NNC(=O)C1CC1)C2 857086573 WCTJFEYQNYRTAL-ZWNOBZJWSA-N 266.345 -0.643 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1ccnc2ccnn12 858908499 VBHKUPFFTLRFKO-UHFFFAOYSA-N 290.283 -0.584 50 20 CBGD Cc1cncc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862455975 LAFVYKPISNNMDW-SECBINFHSA-N 262.269 -0.570 50 20 CBGD CC(C)(C)n1cc(C(=O)NNC(=O)c2cn[nH]c2)nn1 862469804 BWINHTOSZQOPOJ-UHFFFAOYSA-N 277.288 -0.169 50 20 CBGD COC(=O)C(C)(C)CNC(=O)c1ccc(B(O)O)cc1 863877491 YSHQLCCMZUTZPD-UHFFFAOYSA-N 279.101 -0.705 50 20 CBGD O=C(NCCCCCCO)c1ccc(B(O)O)cc1 863879184 VRJBQTGJDRLXRX-UHFFFAOYSA-N 265.118 -0.351 50 20 CBGD O=C(N[C@@H]1CCN2CCC[C@@H]2C1)c1ccc(B(O)O)cc1 864906634 QVTPAVVHOFVOMD-ZIAGYGMSSA-N 288.156 -0.277 50 20 CBGD Cc1cc(=NNC(=O)NCCn2cncn2)cc[nH]1 875208696 XFGNXBSFZPMBGJ-UHFFFAOYSA-N 261.289 -0.270 50 20 CBGD C[C@@H](Cc1cnccn1)NCc1ccccc1B(O)O 876977489 YZXKZNVFDANLSX-NSHDSACASA-N 271.129 -0.123 50 20 CBGD COC(=O)[C@@H](O)CNC(=O)[C@@]1(C)C[C@H]1Br 907160754 DWCQVKHMXRNVBJ-MYINAIGISA-N 280.118 -0.190 50 20 CBGD CO[C@@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)C1CC1 1116858739 HXQATKYQKHOOJQ-SNVBAGLBSA-N 292.295 -0.408 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)C1CCOCC1 1119496292 KZEZUKJYSWZXTP-UHFFFAOYSA-N 269.301 -0.817 50 20 CBGD NC(=O)c1ccc(NNC(=O)c2ccccn2)nn1 1252853038 RSMCDQVVMUQOGX-UHFFFAOYSA-N 258.241 -0.273 50 20 CBGD Cc1nnc(NNC(=O)[C@@H](C)n2ccnc2)nc1O 1317998044 DQIJTCCRNLVJNT-SSDOTTSWSA-N 263.261 -0.214 50 20 CBGD C[C@H](Cn1cccn1)NC(=O)NNC(=O)c1cnn(C)c1 1318669019 YRVSDFXKNXKNCY-SECBINFHSA-N 291.315 -0.351 50 20 CBGD COCCCn1nccc1C=NNC(=O)C(=O)NC1CC1 1322773346 KXUYPPCZEUMAEB-UHFFFAOYSA-N 293.327 -0.352 50 20 CBGD O=C(CN1C(=O)CNC1=O)NNc1ccnc(F)c1 1323629128 XSLWDTRJZDJCGH-UHFFFAOYSA-N 267.220 -0.784 50 20 CBGD CC(=O)N1CCC[C@@H](C(=O)NNC(=O)N(C)C)C1 1324683897 MBYCGMWERUSRLB-SECBINFHSA-N 256.306 -0.453 50 20 CBGD Cn1cc(C(=O)NNC(=O)NCCc2cn[nH]c2)cn1 1326001291 ZEPIEDZVZDIDLD-UHFFFAOYSA-N 277.288 -0.670 50 20 CBGD COCCN(C)NC(=O)c1ccc(C(N)=O)nc1 1327868041 IODSWGITQKJLPG-UHFFFAOYSA-N 252.274 -0.597 50 20 CBGD CNC(=S)N(C)NC(=O)c1noc2c1COCC2 1328724811 HXZSLBMJQSSDED-UHFFFAOYSA-N 270.314 -0.172 50 20 CBGD N#Cc1ncccc1S(=O)(=O)N1CC[C@@H](B(O)O)C1 1329215909 RJXRUXJNOGOYHL-MRVPVSSYSA-N 281.102 -0.809 50 20 CBGD COc1ncnc(OC)c1C(=O)N1CC[C@@H](B(O)O)C1 1329670843 FPDLQSFAKZGMJU-SSDOTTSWSA-N 281.077 -0.817 50 20 CBGD O=C1CC[C@@H](C(=O)NN=Cc2ccc(CO)o2)N1 1330143673 UBLILYUTYXWKDL-VIFPVBQESA-N 251.242 -0.499 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cncn1C 1330512726 HMPYVWFLXMVJMR-WPRPVWTQSA-N 281.316 -0.325 50 20 CBGD CNS(=O)(=O)c1cc(C(=O)NNc2ncccn2)co1 1335767503 DIQNDVNEOQDHJQ-UHFFFAOYSA-N 297.296 -0.265 50 20 CBGD Cc1ccnc2nc(C(=O)NNc3cccnn3)nn12 1337692833 GPSVGISKAFKMBP-UHFFFAOYSA-N 270.256 -0.020 50 20 CBGD O=C(CN1CCC(CO)CC1)NNc1cccnn1 1338947548 FZHBKACFGXNNDQ-UHFFFAOYSA-N 265.317 -0.376 50 20 CBGD COC(=O)C(=O)NNC(=S)NC[C@@H]1CCCCO1 1341193147 OMBQDWMXXCSKFZ-ZETCQYMHSA-N 275.330 -0.776 50 20 CBGD CC(=O)NNC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 1347770092 UGMCFWZUESSFPW-UHFFFAOYSA-N 290.279 -0.375 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1[C@@H](CN)C1(F)F 1576902761 CNFXOFBPIXDVQH-LXGUWJNJSA-N 277.271 -0.601 50 20 CBGD Cc1ccccc1CC(=O)NNC(=O)[C@H]1CNCCN1C 1579796688 HEAOFXCCGZAALN-CYBMUJFWSA-N 290.367 -0.411 50 20 CBGD O=C(/C=C\[C@H]1CCCNC1)NNC(=O)C(=O)N1CCCC1 1580494004 PHDRXNMCBLWBQZ-ISALQUGTSA-N 294.355 -0.688 50 20 CBGD COc1cncc(C=NNC(=O)NCC(=O)O)c1 1607354721 YQDRPAKHOVIGLL-UHFFFAOYSA-N 252.230 -0.192 50 20 CBGD CC(C)(CCC#N)CNC(=O)NNC(=O)C(=O)O 1609673827 KPPIZGBZNRMCOT-UHFFFAOYSA-N 256.262 -0.269 50 20 CBGD CN1CCO[C@H](C(=O)NNc2ccc(Cl)nn2)C1 125053717 ARFCYCIHPSZWBI-ZETCQYMHSA-N 271.708 -0.096 50 20 CBGD Cn1c(=O)ccn(CC(=O)NNc2cccc(C#N)c2)c1=O 152395154 FGEDKHQEIJQNKK-UHFFFAOYSA-N 299.290 -0.438 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cccc(-c2ncn[nH]2)c1 155787560 NYGAYKWZKPEURO-UHFFFAOYSA-N 288.311 -0.206 50 20 CBGD CC(C)(C)S(=O)(=O)CC(=O)NNC(=O)c1ccc[nH]1 157418655 FQGRJNIJRWNRMJ-UHFFFAOYSA-N 287.341 -0.011 50 20 CBGD CCCNC(=O)CCC(=O)NNC(=O)C(=O)N1CCCC1 264731717 ZKJPVZACLKJCJY-UHFFFAOYSA-N 298.343 -0.937 50 20 CBGD Cc1cc(C)nc(NNC(=O)N[C@@H]2CC(=O)N(C)C2)n1 267465110 AQSMVWIRFQKXIT-SECBINFHSA-N 278.316 -0.050 50 20 CBGD CS[C@@H](C)CC(=O)NNC(=O)C(=O)NC(C)C 270135832 NONZKXKDYSWMMP-ZETCQYMHSA-N 261.347 -0.200 50 20 CBGD CN(C)S(=O)(=O)CCC(=O)NNC(=O)c1ccccc1 270729803 CBWMUDITMHELRW-UHFFFAOYSA-N 299.352 -0.271 50 20 CBGD COc1ccnc(NNC(=O)[C@H](C)CN2CCOCC2)n1 271151930 UXXNYHDPUNBFLK-SNVBAGLBSA-N 295.343 -0.103 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1C[C@H](C)CC(=O)N1 293391657 FWFADVSLRJEOFD-YUMQZZPRSA-N 256.306 -0.406 50 20 CBGD CC1=C(C(=O)NNC(=O)C(C)(C)O)SCCO1 295151611 DFRCSXIMHQCFAH-UHFFFAOYSA-N 260.315 -0.100 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 491127452 BEENUIBRKCVKOS-HSTULFTRSA-N 287.341 -0.420 50 20 CBGD C[C@@H]1CN(C)CCN1C(=O)c1cccc(B(O)O)c1 584942175 PYGAGNHWPOSQPO-SNVBAGLBSA-N 262.118 -0.858 50 20 CBGD CCN(CC(C)(C)O)C(=O)c1cccc(B(O)O)c1 584956695 GMGIUNKGOUBLJQ-UHFFFAOYSA-N 265.118 -0.401 50 20 CBGD CCN(C[C@H](C)O)C(=O)c1ccc(B(O)O)c(F)c1 584988366 LYTKRNXOJGMABA-QMMMGPOBSA-N 269.081 -0.652 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@H](F)[C@H](F)C1 584999560 VRAWJUMEODJCTM-AOOOYVTPSA-N 255.029 -0.502 50 20 CBGD Cn1nccc1[C@H](CO)NCc1ccc(B(O)O)cc1F 585045524 BUVBLCIHAIFUCR-LBPRGKRZSA-N 293.107 -0.938 50 20 CBGD CCn1cc(CNCc2ccc(B(O)O)cc2F)nn1 585047364 OBXBOBUTXHEGDZ-UHFFFAOYSA-N 278.096 -0.593 50 20 CBGD OB(O)c1ccc(-c2noc([C@H]3COCCO3)n2)cc1 585050809 LNJVUDMZQCWWKV-SNVBAGLBSA-N 276.057 -0.496 50 20 CBGD O=S(=O)(C[C@@H]1CCCCO1)N1CC[C@@H](B(O)O)C1 585057697 JHNPXGQUMYGXDF-ZJUUUORDSA-N 277.151 -0.566 50 20 CBGD O=C(NCB(O)O)[C@@H]1CCCC[C@H]1n1cccn1 585062338 GWVMPKPEJLLGNW-NXEZZACHSA-N 251.095 -0.257 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CCN2CCCC[C@@H]12 731280979 KWGAGTPENXVUKZ-QWRGUYRKSA-N 284.360 -0.020 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)[C@H]1CCN(C)C1=O 738332222 NRLLQJPJVIJPKA-BDAKNGLRSA-N 270.333 -0.905 50 20 CBGD O=C(O)NCCC(=O)NNC(=O)NCc1ccco1 739937626 CFCUWMSCWURISX-UHFFFAOYSA-N 270.245 -0.232 50 20 CBGD COCC(=O)N[C@H](C(=O)NNC(=O)N(C)C)C(C)C 741209562 MPAKNJWKFNBONZ-VIFPVBQESA-N 274.321 -0.924 50 20 CBGD Cc1cc(NNC(=O)[C@@H](C)CS(C)(=O)=O)ncn1 746887253 UWEVIHYOOGEWBN-ZETCQYMHSA-N 272.330 -0.091 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCO[C@H]1C 747751512 MSAAJEMFKAAARM-BQBZGAKWSA-N 263.319 -0.795 50 20 CBGD C[C@H](C(=O)NNC(=O)NC1CC1)N1CCSCC1 750855726 DIUJIMLDGUPIDF-MRVPVSSYSA-N 272.374 -0.084 50 20 CBGD O=C(CO)NNC(=O)CCCNC(=O)c1ccc(F)cc1 753438599 OJMIAOZJLBOCIR-UHFFFAOYSA-N 297.286 -0.525 50 20 CBGD CC(C)CC(=O)NNC(=O)NC[C@H](C)S(C)(=O)=O 754132850 XAVCLMGVPPKJNN-QMMMGPOBSA-N 279.362 -0.204 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN2C(=O)CC[C@@H]2C1 766272681 RIRNWDSXUXRETD-NXEZZACHSA-N 282.344 -0.761 50 20 CBGD C#CCC(C)(C)C(=O)NNC(=O)C(=O)NC(C)C 767294645 UNNBRCBPPDEZIW-UHFFFAOYSA-N 253.302 -0.292 50 20 CBGD CCn1nccc1C(=O)NNC(=O)Cc1cc[nH]n1 775843755 ILMGLDJXKRWWGQ-UHFFFAOYSA-N 262.273 -0.370 50 20 CBGD COC[C@@](C)(O)C(=O)NNc1cccc(OC)n1 781024586 BWFSMNXZHUPJBC-LLVKDONJSA-N 255.274 -0.069 50 20 CBGD COc1ccc(NNC(=O)Cn2cc([C@H](C)O)nn2)nc1 781517101 UHFSYVCBDSPQLQ-QMMMGPOBSA-N 292.299 -0.122 50 20 CBGD Cn1nccc1COCC(=O)NNC(=O)NC1CC1 785956835 XMUXUMGMQGZJDX-UHFFFAOYSA-N 267.289 -0.571 50 20 CBGD COCC1(C(=O)NNC(=O)C(=O)N2CCCC2)CCC1 786028397 NVLWAGSLKSNAEF-UHFFFAOYSA-N 283.328 -0.427 50 20 CBGD COC[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(N)=O 787476451 SFNOTKVTYPUZHK-GYGFLDJKSA-N 289.291 -0.084 50 20 CBGD C[C@@H](C=NNC(=O)C(N)=O)NC(=O)OC(C)(C)C 799103795 GTPQMXXCFFUXLB-LURJTMIESA-N 258.278 -0.513 50 20 CBGD CCOC(=O)c1ccc(C(=O)NNC(=O)CO)cc1 810919217 STJBCOCTURVIIM-UHFFFAOYSA-N 266.253 -0.383 50 20 CBGD Cc1n[nH]cc1C(=O)NN=C1CCN(CCO)CC1 819808618 PBMUJJGENKREQB-UHFFFAOYSA-N 265.317 -0.108 50 20 CBGD C=CCCNC(=O)NNC(=O)[C@@H](C)OCCOC 820765234 LMAPJOAWQPIKIS-SECBINFHSA-N 259.306 -0.056 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CCCc2nn[nH]c21 823799427 PTGFDFLUXLPYHI-LURJTMIESA-N 252.278 -0.425 50 20 CBGD CN(C)S(=O)(=O)NCC(=O)NNc1cccc(F)c1 830771948 UVKZESAQUGAGHU-UHFFFAOYSA-N 290.320 -0.335 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)[C@H]2CC[C@@H]2C(N)=O)cc1 847405392 IXFYBPZZWVENJC-QWRGUYRKSA-N 286.291 -0.169 50 20 CBGD CCNC(=O)CC(=O)NN(C)C(=S)NCCCOC 854284066 VWARPJCLRNPJIL-UHFFFAOYSA-N 290.389 -0.613 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cnnn1CC 854388474 MPAFCICOXUBMAB-UHFFFAOYSA-N 299.331 -0.152 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCN1CC[C@@H](O)C1 863321236 NDWOHDZMYNMUOY-PBQZMEPESA-N 253.302 -0.387 50 20 CBGD COC(=O)C1(NC(=O)c2cc(B(O)O)ccc2F)CCC1 863875640 CMKPLSZKYXWIPW-UHFFFAOYSA-N 295.075 -0.669 50 20 CBGD CCO[C@@H]1CC(=NNC(=O)COCCOC)[C@H]1OC 872400160 OYUUFFWTRANEEB-ZYHUDNBSSA-N 274.317 -0.055 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NC/C=C/Cl)N1 899033444 DWBDNQSTWXCNPQ-HBAKDTRXSA-N 260.681 -0.652 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 910148543 UJHDZVHMMZIKMH-XHDPSFHLSA-N 291.351 -0.212 50 20 CBGD CC1=C(C(=O)NN(C)C[C@H](C)O)[C@@H](C)n2ncnc2N1C 910151511 BNRBGEOWIFNCCT-WCBMZHEXSA-N 294.359 -0.093 50 20 CBGD CCCN1CCC[C@H]1C(=O)NNC(=O)CN1CCCC1=O 913729877 BUUPTNNROFYKIR-NSHDSACASA-N 296.371 -0.369 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1cccnc1F 913732965 PXGLXCDIRHUIKY-UHFFFAOYSA-N 280.259 -0.396 50 20 CBGD C[C@@H](C(=O)NNC(=O)CC(F)(F)F)n1cncn1 918365742 BTVHUJPCBYGVHZ-YFKPBYRVSA-N 265.195 -0.061 50 20 CBGD O=C(CCO)NNC(=O)C(=O)Nc1ccsc1 1116599898 JUJHNSRHIMDXKE-UHFFFAOYSA-N 257.271 -0.784 50 20 CBGD C[C@@H](NCC(=O)NNC(=O)C(C)(C)C)c1ncn(C)n1 1116711490 PSMOSFSZNXZGFR-MRVPVSSYSA-N 282.348 -0.341 50 20 CBGD CN(NC(=O)C1(S(C)(=O)=O)CCOCC1)C1CC1 1118154126 MHBZCAIHDHIJPN-UHFFFAOYSA-N 276.358 -0.294 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)N(C)C1CCOCC1 1326003694 VBCLCTCFYACAGD-UHFFFAOYSA-N 294.377 -0.492 50 20 CBGD CN1CCC(NC(=O)NNC(=O)C2CCOCC2)CC1 1336936667 UOBSWKZOONGIAZ-UHFFFAOYSA-N 284.360 -0.162 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccnc(N(C)C)c1 1338842910 TWLJLAPLZSPCET-UHFFFAOYSA-N 293.327 -0.567 50 20 CBGD COc1nn(C)cc1C(=O)NNC(=O)c1cnn(C)c1 1349796908 SOIYFUNCLKWQRX-UHFFFAOYSA-N 278.272 -0.763 50 20 CBGD N[C@@H](CO)C(=O)NNC(=O)c1cccc(Cl)c1 1574264295 NXQHASDVABDIDS-QMMMGPOBSA-N 257.677 -0.579 50 20 CBGD Cc1nnc(NNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1C 1592449041 CUKZVMSQSPXJSP-UHFFFAOYSA-N 288.275 -0.611 50 20 CBGD CCC[C@@](C)(NC(=O)c1cc(B(O)O)ccc1F)C(=O)O 1595552884 HAPXENKEALKAEB-CYBMUJFWSA-N 297.091 -0.121 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCO[C@@H](C(=O)O)C1 1596860293 IMMGWHOJYUVIKF-FCZSHJHJSA-N 254.242 -0.258 50 20 CBGD O=C(O)c1coc(S(=O)(=O)NNC(=O)c2ccc[nH]2)c1 1602559267 OKBHMCQNBSSDEI-UHFFFAOYSA-N 299.264 -0.071 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H](C1CC1)[C@@H]1CCCCO1 1608476956 CZKQWVUDSPSYQM-DTWKUNHWSA-N 285.300 -0.251 50 20 CBGD CNC(=O)NNC(=O)c1cccc(C(=O)OC)n1 48950773 OBHMLUAIBNJKQK-UHFFFAOYSA-N 252.230 -0.558 50 20 CBGD CCNC(=O)NNC(=O)Cn1cc([N+](=O)[O-])nc1C 49458277 ICBDMUXBFJJRJM-UHFFFAOYSA-N 270.249 -0.550 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CNC(=O)c1ccco1 72785034 MDIYAUQVILAZHV-UHFFFAOYSA-N 290.279 -0.191 50 20 CBGD CNC(=S)NNC(=O)CNC(=O)OC(C)(C)C 95629432 MJQUUMKXOJSCBF-UHFFFAOYSA-N 262.335 -0.364 50 20 CBGD COCCS(=O)(=O)NNC(=O)c1ccccc1 110096006 PAPXIQCZJUJOCN-UHFFFAOYSA-N 258.299 -0.103 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC(F)(F)C1 203868774 SENJIQGXMFRXSU-UHFFFAOYSA-N 255.029 -0.152 50 20 CBGD CC(=O)NNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 263861153 APTRSMNUXFBPFZ-GFCCVEGCSA-N 291.307 -0.419 50 20 CBGD Cc1cc(O)cc(=O)n1CCC(=O)NNC(=O)NC(C)C 275717352 LSAVZBAODFJBIY-UHFFFAOYSA-N 296.327 -0.009 50 20 CBGD COC(=O)NNC(=O)C(C)(C)NC(=O)C(F)(F)F 277263810 LUMJDMLHTSIFGT-UHFFFAOYSA-N 271.195 -0.169 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1C[C@]12CCOC2 372049534 TZTFZKKCGUXBMR-HZMBPMFUSA-N 297.355 -0.135 50 20 CBGD CCOC(=O)NNC(=O)[C@H]1CCCS1(=O)=O 496275293 NKDXJCXVYGAXIS-ZCFIWIBFSA-N 250.276 -0.659 50 20 CBGD CC(C)(C)OC(=O)N1CC(C)(C(=O)NNC(=O)CO)C1 497314012 MPSQEAWXLXCNRS-UHFFFAOYSA-N 287.316 -0.617 50 20 CBGD C[C@H](CCO)CNC(=O)c1cc(B(O)O)ccc1F 584960522 QTVJNPGGIPCINF-MRVPVSSYSA-N 269.081 -0.746 50 20 CBGD O=S1(=O)CCCC[C@H]1CNCc1ccc(B(O)O)cc1 585035835 ZNXUATFFVMIMMF-ZDUSSCGKSA-N 297.185 -0.577 50 20 CBGD C[C@H](C(=O)NCB(O)O)n1ccc(C(F)(F)F)n1 585068266 ZIRNLTQDBIMBLL-RXMQYKEDSA-N 265.000 -0.409 50 20 CBGD CC(C)C[C@@H](NC(=O)O)C(=O)NNC(=O)c1cnn(C)c1 736415160 ICWZAIOPDXHDHC-SECBINFHSA-N 297.315 -0.137 50 20 CBGD Cc1nnc(NNC(=O)[C@@H](NC(=O)O)C(C)C)nc1O 738931018 CKEGYNWSJRURAJ-LURJTMIESA-N 284.276 -0.379 50 20 CBGD CC[C@@H]1C(=O)NCCN1CC(=O)NNC(=O)C(C)(C)C 744404450 ROUGMXRFHBOPOI-SECBINFHSA-N 284.360 -0.610 50 20 CBGD COCC(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744491421 ZZMXHMXBZTTZKO-UHFFFAOYSA-N 291.263 -0.491 50 20 CBGD C[C@@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)N(C)C 746014706 NKDZNMCDRHHLRF-BDAKNGLRSA-N 259.306 -0.127 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H](C)CS(C)(=O)=O 746839138 QSJIPJIPVLBMML-QMMMGPOBSA-N 279.362 -0.202 50 20 CBGD Cc1cc(C)n(CC(=O)NN=Cc2cn(C)nn2)n1 755563490 DPVSYJAMRGRFPZ-UHFFFAOYSA-N 261.289 -0.221 50 20 CBGD CCCCS(=O)(=O)NCC(=O)NNc1ncccn1 761142378 XWOOXKPWVLZXIJ-UHFFFAOYSA-N 287.345 -0.361 50 20 CBGD CCc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1C 764422459 ZXSWKPGUMUIKCM-UHFFFAOYSA-N 279.296 -0.364 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)C2(NC(N)=O)CC2)c1 767339753 XAJIDZXXZQGCCC-UHFFFAOYSA-N 287.279 -0.480 50 20 CBGD CCCCNC(=O)NNS(=O)(=O)C[C@H](C)OC 800834004 LRLOTGDAVQAZQO-QMMMGPOBSA-N 267.351 -0.045 50 20 CBGD CN(C)C(=O)NNC(=O)COCc1cccnc1 805171877 RKKQQXUDXUPXHM-UHFFFAOYSA-N 252.274 -0.099 50 20 CBGD CO[C@H]1CCC[C@H](C(=O)NNC(=O)C(=O)NC2CC2)C1 814378752 DHSGUMZJISULNV-WPRPVWTQSA-N 283.328 -0.382 50 20 CBGD C#C[C@@H](CCC)NC(=O)NNC(=O)C(=O)NC1CC1 820629381 BFEVEFIYIWFLIE-QMMMGPOBSA-N 266.301 -0.603 50 20 CBGD O=C(Cc1cncc(O)c1)NNC(=O)NC1CC1 823767276 DYYVFFPYZJMFQW-UHFFFAOYSA-N 250.258 -0.178 50 20 CBGD Cc1nc(SCC(=O)NN(C)[C@H](C)CO)n[nH]1 823951890 NWEYGFWAANODNN-ZCFIWIBFSA-N 259.335 -0.451 50 20 CBGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NN 825639753 SICNFPJRIXGMEF-SECBINFHSA-N 261.289 -0.735 50 20 CBGD O=C(NNC(=O)[C@H]1CCCO1)N[C@H]1CC[C@@H](C(=O)O)C1 831082341 DEQZAOYUSPDMKF-HRDYMLBCSA-N 285.300 -0.251 50 20 CBGD C[C@@H]1CN(CCNS(=O)(=O)CCl)CCO1 831190635 CXKAXYMDLYSXHZ-MRVPVSSYSA-N 256.755 -0.177 50 20 CBGD CCCS(=O)(=O)CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843648619 RGHCQMNFFTWMHO-DTWKUNHWSA-N 292.357 -0.616 50 20 CBGD C[C@@H](N)[C@@H]1CN(S(=O)(=O)CBr)CCO1 850585384 ZQCRKJALIOIEMY-RQJHMYQMSA-N 287.179 -0.283 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N2)cc1OC 854179739 FFYDZJIKBZUEJZ-QMMMGPOBSA-N 293.279 -0.647 50 20 CBGD CNC(=S)N(C)NC(=O)CCn1cc([N+](=O)[O-])cn1 854925183 FMSNWHMRVARMMK-UHFFFAOYSA-N 286.317 -0.351 50 20 CBGD COc1cc(C(=O)NNC(=O)CN(C)C)sn1 857104993 BYYBDYFJNNHBTM-UHFFFAOYSA-N 258.303 -0.526 50 20 CBGD O=C1C[C@H](C(=O)NNc2nc[nH]n2)[C@@H]2CCCC[C@H]2N1 857261099 HJAJVSCKSJCGMN-XHNCKOQMSA-N 278.316 -0.057 50 20 CBGD CNS(=O)(=O)CC(=O)NC[C@]1(C)C[C@H]1Br 857735114 XKEXOCCWDYQRTR-SVRRBLITSA-N 299.190 -0.175 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CCC1 858323898 KHARXCFDQHKWND-CBAPKCEASA-N 268.317 -0.216 50 20 CBGD C[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCS1 858694825 AZPQMOWAMSVZQY-SFYZADRCSA-N 286.357 -0.557 50 20 CBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)Cc1cccnc1 859199263 NOFNWCARNIGMOX-LBPRGKRZSA-N 278.312 -0.458 50 20 CBGD O=C(C[C@@H]1CCCCO1)NNC(=O)[C@@H]1CCC(=O)N1 862456719 RSGCCURZZDMWEA-IUCAKERBSA-N 269.301 -0.628 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cccc(O)c2O)N1 862461245 NDPPYUJLRYEMBV-ZETCQYMHSA-N 279.252 -0.863 50 20 CBGD CCOc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)on1 862462126 UWKFFFTXLVCMQB-LURJTMIESA-N 282.256 -0.887 50 20 CBGD CC(=O)C[C@H](C)NC(=O)c1cc(B(O)O)ccc1F 863876059 MTCREPXNOZXOGV-ZETCQYMHSA-N 267.065 -0.397 50 20 CBGD CC1(C)COC(=O)[C@@H]1NC(=O)c1ccc(B(O)O)cc1 863882481 IEIPCIZJEJERHR-JTQLQIEISA-N 277.085 -0.952 50 20 CBGD COCCOCC(=O)NNC(=O)c1nccs1 869906295 KZHYERCFFPUVRQ-UHFFFAOYSA-N 259.287 -0.433 50 20 CBGD COC(=O)N1CCC[C@H](NCc2ccc(B(O)O)cc2)C1 876997219 QEIRWUZRSHANHD-ZDUSSCGKSA-N 292.144 -0.313 50 20 CBGD C#CCCCC(=O)NNC(=O)CNC(=O)N1CCCC1 887152983 CVKHTHJGQIMPIG-UHFFFAOYSA-N 280.328 -0.257 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@H]1CCOC(=O)N1 899998377 LRZXWHJOPVDGPT-ZCFIWIBFSA-N 274.346 -0.221 50 20 CBGD O=C1CCCN1C1CN(S(=O)(=O)CCl)C1 907736593 ISQCDDYQVZZITO-UHFFFAOYSA-N 252.723 -0.181 50 20 CBGD C[C@H](O)CN(C)NC(=O)C(=O)NCc1ccc(F)cc1 910162489 GVUWHMFLSCIJOL-VIFPVBQESA-N 283.303 -0.214 50 20 CBGD NC(=O)C(=O)NN=C1CCN(c2ccccn2)CC1 915934490 BTKFBRUEXNTIAD-UHFFFAOYSA-N 261.285 -0.361 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)C3(C)COC3)nc21 1116536841 QZAVCWNHBSYURG-UHFFFAOYSA-N 278.272 -0.452 50 20 CBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)CC(F)(F)F 1118772791 ADTVNPAHHQDXLG-WHFBIAKZSA-N 267.207 -0.402 50 20 CBGD C[C@H]1CN(C(=O)NNC(=O)c2cccnn2)CCO1 1119349798 MZUMKIOGKHJFLF-QMMMGPOBSA-N 265.273 -0.448 50 20 CBGD O=C(COC1CCNCC1)NNc1ncccn1 1261454795 RQHFSMZQPYPUEW-UHFFFAOYSA-N 251.290 -0.312 50 20 CBGD CS(=O)(=O)CCC(=O)NNC(=O)c1cccnc1 1317887005 ZGFBVYIBTUPBGF-UHFFFAOYSA-N 271.298 -0.723 50 20 CBGD O=C(NNC(=O)c1ccncc1)C(=O)N1CCCC1 1318221770 VUBJHABOIOMLMM-UHFFFAOYSA-N 262.269 -0.535 50 20 CBGD O=C(CCl)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 1319923464 LGXFJQQJYUJLCA-ZETCQYMHSA-N 282.749 -0.965 50 20 CBGD CC#CCCNC(=O)NNC(=O)C(=O)NC1CC1 1320719986 OBAFHTDOAPLDLY-UHFFFAOYSA-N 252.274 -0.991 50 20 CBGD CC(C)C#CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1328730606 WHXMDFIIMILYKV-SECBINFHSA-N 287.341 -0.837 50 20 CBGD CCOc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)[nH]n1 1329179715 VWSZOVSGDNNQAB-UHFFFAOYSA-N 295.299 -0.808 50 20 CBGD Cc1ccn(CC(=O)N2CC[C@H](B(O)O)C2)c(=O)c1 1329294006 VHBISFFKGMRTKH-JTQLQIEISA-N 264.090 -0.768 50 20 CBGD Cc1csc(=O)n1CCC(=O)N1CC[C@@H](B(O)O)C1 1330262964 WPUIRJSSJUYZLR-SECBINFHSA-N 284.146 -0.316 50 20 CBGD O=C(CCCn1ccnc1)NNC(=O)[C@H]1CCC(=O)N1 1331803986 QLBXMVGCYSORHA-SECBINFHSA-N 279.300 -0.911 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CCc2nnc(C)n2C1 1332469071 IHOVHPUVBNFKSS-JTQLQIEISA-N 267.333 -0.506 50 20 CBGD CCn1nncc1CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1332649091 BKVKUBOZQTWIBG-WCBMZHEXSA-N 296.331 -0.447 50 20 CBGD CC1(C)C[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)CCO1 1336316440 QITDGUVOBHQTRN-JTQLQIEISA-N 297.355 -0.039 50 20 CBGD CC[C@H]1C[C@@H](C(=O)NNC(=O)C(=O)NC2CC2)CCO1 1337452734 SIRQFLLXMXHRQA-WPRPVWTQSA-N 283.328 -0.382 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)NOC/C=C\Cl 1347435243 QNKLKJUPABPLGB-RJRFIUFISA-N 276.680 -0.721 50 20 CBGD CCc1nnsc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1351629544 ZGQTXOMZJVHKAS-LURJTMIESA-N 283.313 -0.860 50 20 CBGD Cn1nccc1C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1 1549318186 OIQWRTIYQPGPNS-VXGBXAGGSA-N 277.328 -0.267 50 20 CBGD CSCC[C@H](N)CC(=O)NNC(=O)[C@H]1COCCO1 1579380831 XVARHJJQFJXLTB-DTWKUNHWSA-N 291.373 -0.980 50 20 CBGD C/C(C#N)=C\Cn1c(=O)c(-c2nn[nH]n2)c(C)n(C)c1=O 1588924380 LXRCJJROXOWAIL-QPJJXVBHSA-N 287.283 -0.495 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cccc(F)c1C(=O)O 1589150198 MMJGGHLQRVNVRF-UHFFFAOYSA-N 283.215 -0.370 50 20 CBGD C[C@H](O)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1589993347 UAJPVHBXOLVZHQ-LURJTMIESA-N 276.256 -0.992 50 20 CBGD CN1C[C@@H](C(=O)NNc2ccc(C(=O)O)cn2)NC1=O 1598559806 MCJQQDXXJVWXLM-ZETCQYMHSA-N 279.256 -0.754 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNC(=O)Cc1ccsc1 1604433576 FGSLBUSSFIDQCH-QMMMGPOBSA-N 272.282 -0.462 50 20 CBGD NC[C@@H]1CN(CC(=O)NNC(=O)c2cccs2)CCO1 165742138 PCMBRZNTKYZHJG-SECBINFHSA-N 298.368 -0.831 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)c2ccc(C#N)cc2)C1 174387393 FQEQHDLNQDQVTF-GFCCVEGCSA-N 288.307 -0.350 50 20 CBGD Cc1ccccc1C(=O)NNS(=O)(=O)N1CCOCC1 264983667 HZZUTYAOVSRRLS-UHFFFAOYSA-N 299.352 -0.194 50 20 CBGD CCNC(=O)N(C)NC(=O)c1c([N+](=O)[O-])c(C)nn1C 272683405 OEQJDUWHVQFAOH-UHFFFAOYSA-N 284.276 -0.057 50 20 CBGD COCCN1C[C@H](C(=O)NN(C)C(=O)OC)CC1=O 285774375 AKGYXHSHXWPPLD-MRVPVSSYSA-N 273.289 -0.789 50 20 CBGD COCCN(C)NC(=O)CN1C(=O)c2ccccc2C1=O 293762139 ZCDLKKQUDBECPT-UHFFFAOYSA-N 291.307 -0.108 50 20 CBGD O=C(N[C@H]1CCO[C@@H]1C1CC1)c1cc(B(O)O)ccc1F 584968639 ZTPATKYXDCDSJH-QWHCGFSZSA-N 293.103 -0.197 50 20 CBGD Cn1cc2c(n1)CCC[C@H]2NC(=O)c1cccc(B(O)O)c1 584987921 XURBMCHQYKVINV-CYBMUJFWSA-N 299.139 -0.093 50 20 CBGD CN1C[C@@H](NCc2ccc(B(O)O)cc2F)CCC1=O 585024850 FFAIKSWRGOEZNT-NSHDSACASA-N 280.108 -0.784 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCc3n[nH]cc3C2)c(F)c1 585029879 KZEPYFDYFBTLPU-GFCCVEGCSA-N 289.119 -0.124 50 20 CBGD CC(=O)N1CCC[C@H](CNCc2ccc(B(O)O)cc2)C1 585038467 AMHKDHPQNPNUTP-CQSZACIVSA-N 290.172 -0.286 50 20 CBGD C[C@H](CCO)CCNCc1cccc(B(O)O)c1 585042685 BQSRGNHLAHITKA-NSHDSACASA-N 251.135 -0.135 50 20 CBGD C[C@@H]1CC[C@H](NCc2ccc(B(O)O)o2)CS1(=O)=O 585048045 ZOGZRORDLCYVJE-BDAKNGLRSA-N 287.146 -0.985 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] 741202967 BATJFFCPGGEDGO-UHFFFAOYSA-N 299.268 -0.411 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1c[nH]c(C(=O)O)c1 751273147 WFJUYHUGFGCHBV-UHFFFAOYSA-N 276.274 -0.775 50 20 CBGD CN(C)C(=O)NNC(=O)CNC(=O)CC1CCCC1 751386573 GXTSPGWWJQYTCK-UHFFFAOYSA-N 270.333 -0.015 50 20 CBGD Cc1cc(NC(=O)NNC(=O)CO)ccc1C(N)=O 756400994 MWZLXGWZUSJING-UHFFFAOYSA-N 266.257 -0.761 50 20 CBGD C[C@@H](OCC1CC1)C(=O)NNc1ccc(C(N)=O)nn1 757406623 DPVRAORPJBGGMU-SSDOTTSWSA-N 279.300 -0.166 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1cccc(C(N)=O)c1 763268620 URQLKPOEZXMGDH-UHFFFAOYSA-N 279.300 -0.500 50 20 CBGD CCn1nc(C)c(S(=O)(=O)NNC(C)=O)c1C 775247871 FKZHLBOYUQQAAK-UHFFFAOYSA-N 260.319 -0.151 50 20 CBGD C#CCCN1CCN([C@@H](C)C(=O)NNC(=O)CC)CC1 776594220 ZBYIOXQUKZYZPW-LBPRGKRZSA-N 280.372 -0.427 50 20 CBGD CN1CCN(CC(=O)NNC(=O)C2CCCC2)CC1=O 780347029 LGNLHHLGPWWZBL-UHFFFAOYSA-N 282.344 -0.902 50 20 CBGD COC[C@H](NS(=O)(=O)CBr)C(=O)OC 782477282 QOZAKIWSQATTSW-YFKPBYRVSA-N 290.135 -0.554 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](C)OC 790064161 VDJVMMXIXOHSPW-MRVPVSSYSA-N 262.306 -0.042 50 20 CBGD O=C(NNC(=O)N1CCOCC1)[C@@H](O)Cc1ccccc1 793272967 MDEHTZTUFNHKOW-LBPRGKRZSA-N 293.323 -0.337 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)CC1 807382316 AHMSUUZSWYVVNK-OUAUKWLOSA-N 282.344 -0.458 50 20 CBGD CC(=NNC(=O)C(N)=O)c1cc(F)c(N)c(F)c1 814696863 PPKJXNIISUZUFH-UHFFFAOYSA-N 256.212 -0.128 50 20 CBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)c1ccc[nH]1 816824023 NFKFHMXQYPJTCP-RNFRBKRXSA-N 250.258 -0.713 50 20 CBGD CC[C@@H](CS(=O)(=O)NNC(=O)[C@H]1CCCCO1)OC 817353933 XTSASENBFMUFNL-VHSXEESVSA-N 294.373 -0.069 50 20 CBGD Cn1cc(N2CC[C@@H](NS(=O)(=O)CCl)C2=O)cn1 820791040 GAFGPWALZCOMDA-MRVPVSSYSA-N 292.748 -0.359 50 20 CBGD CN(NC(=O)C(C)(C)CN1CCOCC1)C(N)=O 821459205 IMKCEQXDZXTQFP-UHFFFAOYSA-N 258.322 -0.614 50 20 CBGD C[C@]1(C(=O)NNC(=O)[C@@H]2CCCCO2)CCNC1=O 823236885 HVGNMHBDHPZCRX-UFBFGSQYSA-N 269.301 -0.771 50 20 CBGD O=C(NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1ccc[nH]1 823277609 RRRNEQRFFUXVDW-UHFFFAOYSA-N 286.255 -0.402 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CCCCN1C(C)=O 823852334 DKESVFTUKCYCMT-NSHDSACASA-N 257.334 -0.267 50 20 CBGD Cc1ccn(C[C@](C)(O)C(=O)NN(C)[C@H](C)CO)c(=O)c1 823928467 NMHMNTDGRCBYJS-RISCZKNCSA-N 297.355 -0.748 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NNC(=O)C1CCC1 827298018 HKXPFBGZZAIDED-VXNVDRBHSA-N 284.316 -0.427 50 20 CBGD Cc1ccn(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1 843659574 JEVUALFCOVEAFR-UWVGGRQHSA-N 266.301 -0.236 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1c[nH]nc1[N+](=O)[O-] 843972596 VBBSLJSODYPJHU-RITPCOANSA-N 283.244 -0.496 50 20 CBGD COCC(=O)NNC(=O)Nc1cccc(C(=O)OC)n1 844785909 DCIDAMMENHFGGH-UHFFFAOYSA-N 282.256 -0.333 50 20 CBGD CON(C)C(=O)CNC(=O)NNC(=O)c1cccc(F)n1 854182734 SFAKUHGRARVAFH-UHFFFAOYSA-N 299.262 -0.816 50 20 CBGD CN(C)C1(C(=O)NNC(=O)c2cccn2C)CC1 854287795 OBRNXNIRNWITSH-UHFFFAOYSA-N 250.302 -0.120 50 20 CBGD C[C@@H](NC(=S)NNC(=O)C1(n2cnnn2)CC1)C1CC1 855094931 HWQAJKDSSNXISX-SSDOTTSWSA-N 295.372 -0.544 50 20 CBGD C[C@H](NC(=S)NNC(=O)CCCC(N)=O)C1CC1 855102348 JSAOVOVYHIJVOH-ZETCQYMHSA-N 272.374 -0.064 50 20 CBGD O=C(C[C@H]1CCC(=O)N1)NNC(=O)c1cccc(F)n1 856424545 OWAPKSZYGHYDKL-SSDOTTSWSA-N 280.259 -0.350 50 20 CBGD C[C@H](N)CCNC(=O)NNC(=O)Cc1cccnc1 857112993 MFTNEOWMRIFDHW-VIFPVBQESA-N 265.317 -0.308 50 20 CBGD COC(=O)c1cnn(CC(=O)NNC(=O)C2CC2)c1 858122298 SBEOOROIJIFAHQ-UHFFFAOYSA-N 266.257 -0.773 50 20 CBGD Cc1ccnn1CC(=O)NNC(=O)[C@H]1CCO[C@H]1C 862095813 PPONYEYWPYEHTM-UWVGGRQHSA-N 266.301 -0.236 50 20 CBGD CC(C)(C)C#CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862461467 PJFHDTPRAAQRAR-MRVPVSSYSA-N 251.286 -0.538 50 20 CBGD N#C/C(=C/c1ccc(O)cc1)C(=O)N1C[C@H](O)[C@@H](O)C1 862582302 PTAUPUVHBRXADQ-OESYQSNJSA-N 274.276 -0.137 50 20 CBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1cc(C)nn1C 863150973 BLYMSQPCCAWZOS-SECBINFHSA-N 263.301 -0.153 50 20 CBGD C#CCCN1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 863873574 DZUALHCHNQSFAJ-UHFFFAOYSA-N 286.140 -0.853 50 20 CBGD CN1CCC[C@@H]1C(=O)NNC(=O)C1CCOCC1 883062581 JBPCOMGKCUKDFK-SNVBAGLBSA-N 255.318 -0.345 50 20 CBGD CN(C)C(=O)NNC(=O)CNC(=O)N1CCCC1 900427796 PUFRRBOZTRYGSU-UHFFFAOYSA-N 257.294 -0.906 50 20 CBGD CC(C)CC(=O)NNC(=O)NC[C@@H]1COCCO1 918108462 JMDKMHUZSHYONI-SECBINFHSA-N 259.306 -0.222 50 20 CBGD N#C/C(=C\c1cn(CC(=O)O)nn1)S(=O)(=O)NC1CC1 1116725836 BLGKKWHYJFZCQR-YCRREMRBSA-N 297.296 -0.691 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)Cc1n[nH]c(C)n1 1118689254 QQMHEBOIPYVSLF-UHFFFAOYSA-N 296.331 -0.892 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CCc2nnn(C)c2C1 1118712522 CIBPPQRVHPXTNZ-SSDOTTSWSA-N 282.373 -0.613 50 20 CBGD CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1cncnc1 1254998033 XMYLYMPEPLHCHF-UHFFFAOYSA-N 279.300 -0.001 50 20 CBGD O=C(NNC(=O)[C@@H]1CC12CCC2)[C@@H]1CCS(=O)(=O)C1 1319110092 SWUYEXUZAHAQIO-BDAKNGLRSA-N 286.353 -0.241 50 20 CBGD NC(=O)C[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 1319338999 QVNFDDZGHNAWGC-VIFPVBQESA-N 282.344 -0.869 50 20 CBGD CNC(=O)NNC(=O)CNC(=O)Cc1ccc(O)cc1 1319964333 NIVCIGGMTIRHKM-UHFFFAOYSA-N 280.284 -0.989 50 20 CBGD C[C@H]1C[C@H](C(=O)NNc2ccc(C(N)=O)nn2)CCO1 1320082052 ZKQZAELIDFMNKO-JGVFFNPUSA-N 279.300 -0.166 50 20 CBGD CCCc1cc(NC(=O)C(=O)NNC(C)=O)n(C)n1 1320224038 JHKUKCTYDIYCRI-UHFFFAOYSA-N 267.289 -0.522 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cccnc1C 1320378488 JEEKATWASSBUIS-UHFFFAOYSA-N 252.230 -0.284 50 20 CBGD CC(C)NC(=S)NNC(=O)c1ccc(C(N)=O)cn1 1322220396 DKBMTQBZWOFSFH-UHFFFAOYSA-N 281.341 -0.302 50 20 CBGD O=C1NCC[C@@H]1C(=O)NNc1ccc(-n2ccnc2)nn1 1328317559 SHWIOKLGMWIGQP-QMMMGPOBSA-N 287.283 -0.759 50 20 CBGD COCCOCC(=O)NNC(=S)NC[C@H]1CCOC1 1329709155 MPXNUCKWLIZVEY-SECBINFHSA-N 291.373 -0.819 50 20 CBGD COCCOCC(=O)NNC(=O)C1(C)CCC(=O)CC1 1330603396 LNARFRDTSXZFTJ-UHFFFAOYSA-N 286.328 -0.054 50 20 CBGD O=C(NNC(=O)[C@]1(F)CCOC1)c1cccnn1 1330814044 VEFAIKDIMXQBGE-JTQLQIEISA-N 254.221 -0.634 50 20 CBGD O=C([C@@H]1CCc2nccn2C1)N1CC[C@H](B(O)O)C1 1348489889 GTCOUBADSSXSAZ-ZJUUUORDSA-N 263.106 -0.479 50 20 CBGD CCNC(=O)N(C)NC(=O)c1csc(CO)n1 1348574039 OYRJTGVSNBOYBY-UHFFFAOYSA-N 258.303 -0.059 50 20 CBGD N#CC1=CCN(C(=O)Cn2ncn3nccc3c2=O)CC1 1433885106 ZEFPIFMERIZWDF-UHFFFAOYSA-N 284.279 -0.427 50 20 CBGD C[C@H](CCCCN)NCc1ccc(B(O)O)cc1 1575942782 IIVKHJZTUHMUCZ-LLVKDONJSA-N 250.151 -0.027 50 20 CBGD N[C@H](Cc1ccccc1)C(=O)NNC(=O)c1ncon1 1580408777 GRYYBFZDMQYXHO-SECBINFHSA-N 275.268 -0.599 50 20 CBGD CC(=O)NNS(=O)(=O)c1cc(F)ccc1C(=O)O 1589150526 UZWNNZXLIDJLKL-UHFFFAOYSA-N 276.245 -0.147 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1csc(C(=O)O)n1 1593457473 VWPPHTRYUPNHRN-RXMQYKEDSA-N 259.287 -0.201 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)COCC(=O)O 1594415486 HBAKGZCLQCVOLP-UHFFFAOYSA-N 266.253 -0.143 50 20 CBGD CO[C@H](CNC(=O)NNC(=O)C(=O)O)Cc1ccccc1 1599049137 DSWCREMUCUFJFA-JTQLQIEISA-N 295.295 -0.341 50 20 CBGD COCCOCC(=O)NN[C@@H](C(=O)O)c1cccnc1 1599247761 NNCNLXLNICAGFP-LLVKDONJSA-N 283.284 -0.509 50 20 CBGD Cn1nc(C(=O)O)cc1NC(=O)c1ccc(B(O)O)cc1 1601007453 ZDHYHFVYXDUYGY-UHFFFAOYSA-N 289.056 -0.950 50 20 CBGD Cc1ccc(CNC(=O)NNC(=O)C(=O)O)c(Cl)n1 1607783661 JFGFWQCJSJCDDN-UHFFFAOYSA-N 286.675 -0.042 50 20 CBGD CCc1cc(CNC(=O)NNC(=O)C(=O)O)on1 1610058592 KUQLLYZLJJQFOP-UHFFFAOYSA-N 256.218 -0.848 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cccnc1 48375715 JGPQERWITPHDGI-UHFFFAOYSA-N 250.258 -0.633 50 20 CBGD CN1CC[C@@H](NC(=O)NNC(=O)c2ccccc2)C1=O 172344253 HVMVDWNAKVIFJG-SNVBAGLBSA-N 276.296 -0.139 50 20 CBGD CCc1ccc(C(=O)NNC(=O)CS(=O)(=O)NC)cc1 267672755 VOWQAAZEOGZOCP-UHFFFAOYSA-N 299.352 -0.441 50 20 CBGD COc1cccc(OC)c1CC(=O)NNC(=O)CN(C)C 268256802 PXJJMHGNDIKTLF-UHFFFAOYSA-N 295.339 -0.045 50 20 CBGD O=C(Cn1ccccc1=O)NNC(=O)[C@H]1CCCCO1 269348476 MBLRCYXDLAVWDB-SNVBAGLBSA-N 279.296 -0.435 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCCCO1 269402697 OJBFJGPEGQYBLK-MRVPVSSYSA-N 257.290 -0.773 50 20 CBGD C=CCNC(=S)NNC(=O)c1nn(CC)nc1C 292684444 MLNSEBMKHNCFMK-UHFFFAOYSA-N 268.346 -0.099 50 20 CBGD CC[C@H](CCO)CNC(=O)c1cccc(B(O)O)c1 584957284 DGZWBDYXLDHLGB-SNVBAGLBSA-N 265.118 -0.495 50 20 CBGD O=C(N[C@@H]1CCO[C@H]1C1CC1)c1cc(B(O)O)ccc1F 584968638 ZTPATKYXDCDSJH-OLZOCXBDSA-N 293.103 -0.197 50 20 CBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)CC[S@](=O)C1 584983846 UYAVHACVQOQORF-SBKAZYGRSA-N 295.169 -0.793 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N(C1CC1)C1COC1 584995466 UMPMZJMGIBITSS-UHFFFAOYSA-N 279.076 -0.491 50 20 CBGD OB(O)c1ccc(CN[C@@H]2C[C@H]3CCCCN3C2)o1 585046855 WQVDWQNQPQXHGW-GHMZBOCLSA-N 264.134 -0.324 50 20 CBGD Cc1cc(C(=O)NCB(O)O)ccc1-n1cccn1 585062257 FBMRGKANFXCHES-UHFFFAOYSA-N 259.074 -0.077 50 20 CBGD CCCN(C)CC(=O)NNC(=O)C(=O)N1CCCC1 730281104 BHJXWYPBJOUBEA-UHFFFAOYSA-N 270.333 -0.902 50 20 CBGD Cn1c(NNC(=O)Cn2cncn2)nc2ccccc2c1=O 733261357 OHXYKCUFWDFESM-UHFFFAOYSA-N 299.294 -0.332 50 20 CBGD O=C(CNCC(F)(F)F)NNC(=O)Cc1ccncc1 747429221 IAWGWAYYNHNMSX-UHFFFAOYSA-N 290.245 -0.077 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1CCOC1 752923058 VNZVELNHMSJOOD-QMMMGPOBSA-N 250.258 -0.307 50 20 CBGD COc1cccc(OC)c1CC(=O)NNC(=O)CO 753444341 KBEMYHUHBBCWBV-UHFFFAOYSA-N 268.269 -0.614 50 20 CBGD Cc1ccc(NNC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)nn1 759772808 BBRJRKIPFLPXSJ-DTWKUNHWSA-N 294.315 -0.556 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cc2c(cc1C)OCO2 763518083 PGKHJRBLWZYHLO-UHFFFAOYSA-N 279.252 -0.170 50 20 CBGD Cc1cc(C)n(CC(=O)NNc2ncccn2)c(=O)n1 765983438 PRGLCQVMFFZMID-UHFFFAOYSA-N 274.284 -0.207 50 20 CBGD C[C@@H]1CCN(S(=O)(=O)NNC(=O)c2cnn(C)c2)C1 777932739 AJLYDMBYRZLNLC-MRVPVSSYSA-N 287.345 -0.759 50 20 CBGD C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNc1ccnc(F)c1 781368731 UCVWMRQOHOSWHF-WRWORJQWSA-N 296.302 -0.061 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)C1=COCCO1 790063572 MQAWPNFWHMICDH-UHFFFAOYSA-N 288.300 -0.189 50 20 CBGD CC(C)[C@@H](C(=O)NNC(=O)CO)c1cccnc1 798114247 ZTIXMSNRZCAEOP-LLVKDONJSA-N 251.286 -0.039 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cccc(CO)c1 813443111 KPHNIDJVVWQYPV-UHFFFAOYSA-N 274.280 -0.094 50 20 CBGD Nc1ncc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@H]1CCCO1 817215801 UDHDJZBJOUTEAA-MRVPVSSYSA-N 295.255 -0.488 50 20 CBGD CSCCNC(=S)NNC(=O)[C@]1(C)CCNC1=O 821492049 KVLDTLATTJYLNK-SNVBAGLBSA-N 290.414 -0.629 50 20 CBGD O=CN1CCC[C@H]1C(=O)NNC(=O)C1CCCC1 821750201 BWVDCWCWNPGKEO-JTQLQIEISA-N 253.302 -0.055 50 20 CBGD O=C(CCn1cncn1)NNC(=O)c1ccncc1 825123461 VVRWHBCYFNHSRV-UHFFFAOYSA-N 260.257 -0.476 50 20 CBGD CCS(=O)(=O)NCc1ccc(C(=O)NN)cc1 825651721 HZZGCJYFNXSKMV-UHFFFAOYSA-N 257.315 -0.271 50 20 CBGD CN(CC(=O)NNC(=O)Cc1ccncc1)C(=O)O 828108744 VLECCOZMTBMJHC-UHFFFAOYSA-N 266.257 -0.619 50 20 CBGD CC1=NO[C@H](C(=O)NNC(=O)C(=O)Nc2ccccn2)C1 830053289 SNGKUHDRVCBBKA-QMMMGPOBSA-N 291.267 -0.668 50 20 CBGD COC(=O)c1ccc(NNC(=O)Cc2n[nH]c(C)n2)nc1 831286769 UWEKBFHLFRBDBB-UHFFFAOYSA-N 290.283 -0.019 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN[C@@]1(C(=O)O)CCOC1 833422156 XBHAPZTXPHFLPK-LBPRGKRZSA-N 287.316 -0.987 50 20 CBGD COC(=O)Cn1cc(C=NNC(=O)[C@@H]2CCO[C@H]2C)nn1 842548772 BVQICKMXTLHWCK-WCBMZHEXSA-N 295.299 -0.674 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](CN)C[C@H]1C 843362947 VOIZYFIFMXWGRM-KXUCPTDWSA-N 256.350 -0.399 50 20 CBGD COCCN(C)NC(=O)Cc1ccc(C(N)=O)cc1 848378415 QKVGEFGWPHYWCM-UHFFFAOYSA-N 265.313 -0.063 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCn2cncc2C1 852066853 UFKXMKVGLUCYAV-UHFFFAOYSA-N 279.344 -0.108 50 20 CBGD C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)CO)C1 857862867 MKULOMHXFSHFRT-SVRRBLITSA-N 252.274 -0.785 50 20 CBGD CO[C@H](CNC(=O)NNC(=O)c1cn[nH]c1)C(F)(F)F 858218079 LUXSYWVNZGOQJH-ZCFIWIBFSA-N 295.221 -0.069 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H](CO)CC2CCC2)N1 858699458 QNLOIPCJCAJKKJ-NXEZZACHSA-N 298.343 -0.854 50 20 CBGD Cc1cc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)no1 860235502 VFKJQGUEWFGBGT-LURJTMIESA-N 267.245 -0.586 50 20 CBGD CC1=C(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)SCCO1 862458818 JNHGMAMXAUNJSQ-ZETCQYMHSA-N 285.325 -0.593 50 20 CBGD CCCc1nc(C)c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)o1 862460798 GRKMKZKRSYLTJQ-QMMMGPOBSA-N 294.311 -0.025 50 20 CBGD CCC(=O)N1CCC(=NNC(=O)CS(C)(=O)=O)CC1 863188672 ZWDROYMFPCGNRH-UHFFFAOYSA-N 289.357 -0.464 50 20 CBGD COC(=O)[C@H]1C[C@H](NC(=O)c2cc(B(O)O)ccc2F)C1 863885879 PIJUHCWUXGCQEM-XWEPSHTISA-N 295.075 -0.813 50 20 CBGD O=C(N[C@@H]1CCN2CCC[C@H]2C1)c1ccc(B(O)O)cc1 864906632 QVTPAVVHOFVOMD-KGLIPLIRSA-N 288.156 -0.277 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccnc(F)c1F 869907462 MIVJCQXXOLURFC-UHFFFAOYSA-N 289.238 -0.216 50 20 CBGD O=C(N[C@H]1C[C@H](CO)C1)c1cc(B(O)O)ccc1F 886881502 HAMJAJZVMFLFIL-XWEPSHTISA-N 267.065 -0.994 50 20 CBGD O=S(=O)(c1cnc2n1CCCC2)N1CC[C@@H](B(O)O)C1 899571458 XWFVKFOYUNDIRG-SECBINFHSA-N 299.161 -0.543 50 20 CBGD C[C@H](O)CN(C)NC(=O)Cc1ccc(C(N)=O)cc1 910153367 SJVDUEKSKHMBGD-VIFPVBQESA-N 265.313 -0.328 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1cc(C)c(C#N)cn1 1118374865 YFFGUGAEKYOCFF-UHFFFAOYSA-N 291.267 -0.023 50 20 CBGD CC(C)C(=O)NNC(=O)[C@@H]1CCCN(C(N)=O)C1 1317708172 APNUXAPSPFEOGW-MRVPVSSYSA-N 256.306 -0.420 50 20 CBGD CCC1(O)CCC(NC(=O)NNC(=O)C(=O)OC)CC1 1319766569 MCFGBQAESLADGY-UHFFFAOYSA-N 287.316 -0.427 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@]1(C)CCO[C@@H]1C1CC1 1320413883 QRVIZZIDIAIHCK-NOZJJQNGSA-N 299.327 -0.305 50 20 CBGD COC[C@@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1325975929 LYGJRXAXNKQBSQ-HLTSFMKQSA-N 259.306 -0.223 50 20 CBGD NC(=O)[C@H](NNC(=O)[C@H]1CCC(=O)N1)c1ccc(F)cc1 1329207843 SCBXMILGBZZPOL-MWLCHTKSSA-N 294.286 -0.749 50 20 CBGD O=C1CC[C@@H](C(=O)NN=Cc2cnc3ncccn23)N1 1329557515 OHXVJCNTFMZRDU-VIFPVBQESA-N 272.268 -0.542 50 20 CBGD C[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)c1ccccn1 1329586442 CUTVWEYUPLOZGQ-MRVPVSSYSA-N 285.325 -0.623 50 20 CBGD Cc1cc(=NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc(C)[nH]1 1329980804 YELIDYNLZVYPFX-SNVBAGLBSA-N 291.311 -0.448 50 20 CBGD COc1cccnc1C(=O)N1CC[C@H](B(O)O)C1 1331897836 ZOAGFXKFELZIDM-QMMMGPOBSA-N 250.063 -0.221 50 20 CBGD N#Cc1ccc(NNC(=O)CN2C(=O)CNC2=O)cc1 1334935374 FNPDIDREYSXUKT-UHFFFAOYSA-N 273.252 -0.447 50 20 CBGD O=C(CO)NNC(=O)Nc1cnn(Cc2cccnc2)c1 1342409028 RXEWQOMCVRQOPN-UHFFFAOYSA-N 290.283 -0.529 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1nncn1C 1346001070 FKSFWPIKTXGLBX-CIUDSAMLSA-N 296.331 -0.369 50 20 CBGD C[C@@H](CC(F)(F)F)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1348111199 SXHVUXNKSPSCPN-WDSKDSINSA-N 296.249 -0.064 50 20 CBGD Nc1ccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)cn1 1549318774 DQGLXMQLSDHYHU-NWDGAFQWSA-N 289.339 -0.023 50 20 CBGD C[C@H](N)c1nc(C(=O)NNC(=O)Cc2cc[nH]n2)cs1 1576176054 QHMZVEOSCZRGIY-LURJTMIESA-N 294.340 -0.110 50 20 CBGD COC(=O)[C@]1(C(=O)NNC(=O)CN)C[C@@H]1c1ccccc1 1578778806 XBADTYAKUCNDQL-QMTHXVAHSA-N 291.307 -0.561 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cc(C(=O)O)nn1C 1589416061 NSMMERCCBTTZJE-APPZFPTMSA-N 280.284 -0.007 50 20 CBGD O=C(NNc1nc[nH]n1)c1ccc(-c2nn[nH]n2)cc1F 1593166207 BGPPUKRUTIIEHB-UHFFFAOYSA-N 289.234 -0.119 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C(C)(C)CC(=O)O 1594712554 RHUWBTKKANSACW-SSDOTTSWSA-N 288.300 -0.024 50 20 CBGD CCCN(C(=O)c1ccc(B(O)O)cc1)[C@H](C)C(=O)O 1595826083 APKZDEMYGPNWNX-SECBINFHSA-N 279.101 -0.308 50 20 CBGD N#Cc1ccc2c(c1)C[C@@H](NC(=O)NNC(=O)C(=O)O)C2 1601114242 PAKRQJUUUVWIMC-JTQLQIEISA-N 288.263 -0.560 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CCNC(=O)[C@H]1CC(=O)O 1605618086 FGEQDQZDOXUCHC-UFGYOYAJSA-N 281.268 -0.768 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1sccc1C(=O)O 1606494778 MMCAXUJCLWQYLA-UHFFFAOYSA-N 287.253 -0.228 50 20 CBGD Cc1cccc(NC(=O)C(=O)NNC(=O)C(=O)O)c1C 1607856050 BNCNSOUPHWDLTR-UHFFFAOYSA-N 279.252 -0.526 50 20 CBGD CO[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)C(=O)O 1610235638 PLWFGORUAAPSSQ-NKWVEPMBSA-N 259.262 -0.784 50 20 CBGD CS(=O)(=O)[C@H]1CCCC(=NNC(=O)NCC(=O)O)C1 1610372410 NPSHDMPIEXQBHZ-QMMMGPOBSA-N 291.329 -0.287 50 20 CBGD CCOc1cc(C=NNC(=O)CO)ccc1OCC(=O)O 1776052743 NOVGUNQYNUVCEJ-UHFFFAOYSA-N 296.279 -0.009 50 20 CBGD CC(C)CC(=O)NNC(=O)CCC(=O)N1CCOCC1 48416608 ALCWNQJUESEELO-UHFFFAOYSA-N 285.344 -0.181 50 20 CBGD Cc1ccc(C(=O)NNC(=O)c2cn[nH]n2)c(O)c1 80388647 XRAXDZLPCVEVDI-UHFFFAOYSA-N 261.241 -0.106 50 20 CBGD COCCS(=O)(=O)NNC(=O)c1ccc(C)o1 84461368 XQFMCOQYBUWZAR-UHFFFAOYSA-N 262.287 -0.201 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](CNC(C)=O)C1 111207922 XTHJSBYYJMZBRX-CMPLNLGQSA-N 298.387 -0.220 50 20 CBGD CC(=NNC(=O)C(N)=O)c1cccc([N+](=O)[O-])c1 252627861 SCZDWBNMBNWFAC-UHFFFAOYSA-N 250.214 -0.080 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccc(C(=O)OC)[nH]1 292926620 MEXHLRBEBFVZLB-UHFFFAOYSA-N 298.299 -0.218 50 20 CBGD NC(=O)[C@@H]1CC[C@H](C(=O)NCC(Cl)Cl)O1 294368031 LIHZEZZPWWBPCB-CRCLSJGQSA-N 255.101 -0.061 50 20 CBGD C[C@@H](C(=O)NNC(=O)N1CCOCC1)n1cccn1 299384472 PGIAXSXBQWCTCK-VIFPVBQESA-N 267.289 -0.483 50 20 CBGD CO[C@@H](C)C(=O)NNC(=O)CNC(=O)c1cccs1 299597079 CKWZNWHWQYXPNR-ZETCQYMHSA-N 285.325 -0.340 50 20 CBGD O=S(=O)(CBr)N1CCC(O)(CO)CC1 306338163 JBWZTKQOGPETSV-UHFFFAOYSA-N 288.163 -0.512 50 20 CBGD COC(=O)NCCC(=O)NNC(=O)c1ccncc1 490895086 XOXKYLOMSSNRQU-UHFFFAOYSA-N 266.257 -0.411 50 20 CBGD CCC[C@](C)(O)C(=O)Nc1cccc(B(O)O)c1 584913578 ZIARJAOYQMHUMC-LBPRGKRZSA-N 251.091 -0.144 50 20 CBGD CC(F)(F)CNC(=O)c1ccc(B(O)O)c(F)c1 584991984 HOTLWXHSHJOKSA-UHFFFAOYSA-N 261.008 -0.110 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@H](CCCO)C1 584999702 KVLYPZPCMLFHMT-JTQLQIEISA-N 295.119 -0.260 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@@H](O)C[C@@H](F)C1 585008453 VQKZXSIMZMEXRG-BDAKNGLRSA-N 285.055 -0.950 50 20 CBGD Cn1cc([C@](C)(O)CNCc2ccc(B(O)O)cc2)cn1 585024683 ANPNXKOUIHAEDP-CQSZACIVSA-N 289.144 -0.903 50 20 CBGD OCC[C@@H]1CCC[C@H]1NCc1ccc(B(O)O)o1 585036588 KCURWHGHAMVEHF-GXSJLCMTSA-N 253.107 -0.400 50 20 CBGD OC[C@H](CNCc1ccccc1B(O)O)C1CCC1 585039963 CQLNMQKNGSLNJH-ZDUSSCGKSA-N 263.146 -0.135 50 20 CBGD COc1cccnc1CNCc1ccc(B(O)O)o1 585044697 QQZYFTKCCNFNFP-UHFFFAOYSA-N 262.074 -0.347 50 20 CBGD C[C@@H]1[C@H](NCc2cccc(B(O)O)c2)CCS1(=O)=O 585049044 JHDYPVBKHUPLNM-BXKDBHETSA-N 283.158 -0.968 50 20 CBGD OB(O)c1ccc(CNC[C@@H]2CCN2C2CC2)o1 585049867 LOGFBBIPLYVYHG-JTQLQIEISA-N 250.107 -0.714 50 20 CBGD O=C(CCCNC(=O)c1ccc(Cl)cc1)NCB(O)O 585056334 NDPSOEGTASCFQX-UHFFFAOYSA-N 298.535 -0.022 50 20 CBGD O=S(=O)(NCB(O)O)c1ccccc1-c1ccno1 585059477 PAOADYVDTJOSCE-UHFFFAOYSA-N 282.086 -0.368 50 20 CBGD O=C(NCB(O)O)[C@@H]1CC(c2cccc(F)c2)=NO1 585061441 SHTQXQAHQJNPSW-JTQLQIEISA-N 266.037 -0.553 50 20 CBGD CC(C)(C)[C@H](C(=O)O)C(=O)N1CC[C@@H](B(O)O)C1 585066769 NEYNVEFAQRSLDO-SFYZADRCSA-N 257.095 -0.191 50 20 CBGD COc1ccccc1-c1cc(C(=O)NNC(=O)CO)n[nH]1 753451116 ADOYCAUSGQTWCN-UHFFFAOYSA-N 290.279 -0.161 50 20 CBGD C#CCOCCC(=O)NNC(=O)NCCCOC 755664928 RCCFQZKSCRDVFC-UHFFFAOYSA-N 257.290 -0.607 50 20 CBGD COCC(C)(C)C(=O)NNC(=O)N1CCOCC1 755774446 QPQNDTJFCZVUAS-UHFFFAOYSA-N 259.306 -0.268 50 20 CBGD CC(C)(O)C(=O)NNC(=O)COc1cccc(C#N)c1 768247135 LPFNDORHJSZWOK-UHFFFAOYSA-N 277.280 -0.145 50 20 CBGD COC(=O)c1cn(CC(=O)NNC(=O)C2CC2)c(C)n1 771579266 KZXMZDNXJCUBFC-UHFFFAOYSA-N 280.284 -0.464 50 20 CBGD Cc1cnn(C)c1C=NNC(=O)CN1CCCC1=O 794878077 CWBUFTPQBMFEQA-UHFFFAOYSA-N 263.301 -0.199 50 20 CBGD C=CCCn1cc(C(=O)NNC(=O)C(C)(C)O)nn1 819509706 ZRPMKSWCXNSDJX-UHFFFAOYSA-N 267.289 -0.614 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCSC1)c1ncon1 832826387 YMVSQUCTIDYDMR-ZCFIWIBFSA-N 256.287 -0.026 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](N)[C@@H](CC)C1 843377687 SLJBFAKYCJEKTI-DCAQKATOSA-N 270.377 -0.009 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CN1CSCC1=O 843643007 BWGZXKNFZNNRSY-HTQZYQBOSA-N 287.341 -0.908 50 20 CBGD O=C(CCN1C(=O)CCNC1=S)NNC(=O)C1CCC1 847482155 HSXZNGQKGUJKCY-UHFFFAOYSA-N 298.368 -0.569 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@@]12CCOC2)c1cc[nH]n1 855356906 UKMFJYNZGBIPND-WRWORJQWSA-N 250.258 -0.403 50 20 CBGD CCCCOCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862456259 WPXAUOSHQXLZJF-QMMMGPOBSA-N 257.290 -0.771 50 20 CBGD COc1nc(C)ccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862460176 DEGCZSWTMAYLME-VIFPVBQESA-N 292.295 -0.562 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1(C)C 883737723 IIYJAMRBMZGPJK-VIFPVBQESA-N 297.359 -0.968 50 20 CBGD O=C(O)[C@H]1CCC[C@H]1NCc1ccc(B(O)O)cc1 901482426 LQGKKLVIXRTSGZ-NWDGAFQWSA-N 263.102 -0.291 50 20 CBGD CN1C(=O)CCC[C@H]1C(=O)NNC(=O)[C@H]1CCCCO1 908517365 JOQMWWBUCMKDGJ-VHSXEESVSA-N 283.328 -0.286 50 20 CBGD CC(C)S(=O)(=O)CC(=O)NN(C)C[C@@H](C)O 910168897 UDACQCSPNVAIIV-MRVPVSSYSA-N 252.336 -0.847 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H](CF)C1 916100956 OSEVLJXZEXDULE-VIFPVBQESA-N 251.066 -0.202 50 20 CBGD CC(C)C(=O)NNC(=O)CCN1CCCS1(=O)=O 918203039 UVJYVMCEPZSWQA-UHFFFAOYSA-N 277.346 -0.785 50 20 CBGD Cc1ncncc1C(=O)NNC(=O)N1CCOCC1 1318037126 LEFIGWWLYXAENE-UHFFFAOYSA-N 265.273 -0.528 50 20 CBGD CN(C[C@H](O)CN1CCOCC1)C(=O)CCl 1319681897 FSSFYFSYLMKYDW-VIFPVBQESA-N 250.726 -0.623 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNc1nncc(N)c1Cl 1319778094 WDUYOEKNQCXENA-BYPYZUCNSA-N 272.696 -0.320 50 20 CBGD Cc1cc(C(=O)NNC(=S)NC[C@@H]2CCOC2)n[nH]1 1320025727 CGNUNDMMWIDTLD-QMMMGPOBSA-N 283.357 -0.136 50 20 CBGD COCCNC(=O)Cn1cc(NC(=O)CCl)cn1 1320465831 NWKGCFSKYLUPEP-UHFFFAOYSA-N 274.708 -0.177 50 20 CBGD CS(=O)(=O)c1cccc(NNC(=O)[C@@H]2CCC(=O)N2)c1 1320668661 AFWFUMYWUZLDPK-JTQLQIEISA-N 297.336 -0.188 50 20 CBGD CC(C)c1nccnc1NNC(=O)CN1C(=O)CNC1=O 1322092955 SHTAQMUJRLGZKI-UHFFFAOYSA-N 292.299 -0.405 50 20 CBGD COC(=O)N(C)NC(=O)C[C@@H]1CCCS(=O)(=O)C1 1324335663 RWKPXWDMXKGJHQ-QMMMGPOBSA-N 278.330 -0.069 50 20 CBGD CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cnc[nH]1 1327998363 DTXKPNYNYCZAPL-QMMMGPOBSA-N 270.314 -0.315 50 20 CBGD C[C@@]1(C(=O)NNC(=S)Nc2ccccn2)CCNC1=O 1330934399 QZGHZJCYZJNZFT-GFCCVEGCSA-N 293.352 -0.075 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=O)C1CCOCC1 1331503062 YBNNDPFPPNADSB-SECBINFHSA-N 260.290 -0.778 50 20 CBGD CCn1ccnc1C=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1335767446 AVXDJGPXIRYALY-SECBINFHSA-N 284.341 -0.212 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C(=O)NC1CC1)[C@H]1CCCOC1 1337465680 FTSKSSADKJRCNG-BDAKNGLRSA-N 298.343 -0.590 50 20 CBGD Cc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)CCO 1337980167 DPWXTRJEGSHOSW-UHFFFAOYSA-N 290.279 -0.665 50 20 CBGD COCCCNC(=S)N(C)NC(=O)C(=O)NC1CC1 1350528765 HELULIREOCDTEN-UHFFFAOYSA-N 288.373 -0.861 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)C[C@@]1(O)CCNC1 1579787761 FFWPVTSJJYHNOZ-AWEZNQCLSA-N 277.324 -0.129 50 20 CBGD Cc1nnc(NNC(=O)N[C@H]2CCCNCC2)n1C 1579912880 SOXHWCDZHROCTE-VIFPVBQESA-N 267.337 -0.108 50 20 CBGD NC[C@@H]1[C@H](C(=O)NNc2ncc(F)cn2)C1(F)F 1580326863 MDCIACFRDAKSKT-PHDIDXHHSA-N 261.207 -0.101 50 20 CBGD O=C(NNc1cccnn1)C1(C2(O)CNC2)CCC1 1580740066 VDCQWIJPJGMBJR-UHFFFAOYSA-N 263.301 -0.576 50 20 CBGD CO[C@](C)(C(=O)O)C(=O)NNc1ncncc1F 1593927046 SKOVHXAKHZFFOK-VIFPVBQESA-N 258.209 -0.452 50 20 CBGD C[C@H]1CCCN([C@@H](C)CNC(=O)NNC(=O)C(=O)O)C1 1594383694 PJLWFYOMDKODPA-IUCAKERBSA-N 286.332 -0.478 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(C(=O)O)nc1 1594643465 GLKCTDDKOOXCGS-APPZFPTMSA-N 293.279 -0.034 50 20 CBGD C[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@H]1C(=O)O 1599863819 YPODJSRZJTVITI-LDYMZIIASA-N 277.085 -0.841 50 20 CBGD Cc1ncsc1C(=O)NNS(=O)(=O)CCC(=O)O 1600760540 WUYNREPVZJNNSF-UHFFFAOYSA-N 293.326 -0.510 50 20 CBGD Cn1ncc(C=NNC(=O)NCC(=O)O)c1Cl 1601027879 USWJGYHLGSNWDM-UHFFFAOYSA-N 259.653 -0.209 50 20 CBGD O=C(O)CNC(=O)NN=C1CCO[C@]12CCOC2 1602071255 KIHBHBSOLBTIMB-JTQLQIEISA-N 257.246 -0.694 50 20 CBGD O=C(NNC(=O)C1CC1)c1coc(-c2nn[nH]n2)c1 1606849229 GXLMJOFOVPEFHP-UHFFFAOYSA-N 262.229 -0.369 50 20 CBGD O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)C1CC1 15794174 GYNCURSBSYCXPT-UWVGGRQHSA-N 293.323 -0.281 50 20 CBGD COCC(=O)NNC(=O)COc1ccc(F)cc1 42524520 LFJKGLGCNATPDL-UHFFFAOYSA-N 256.233 -0.002 50 20 CBGD CNC(=O)NNC(=O)C[C@@H](NC(N)=O)c1cccs1 56375915 VXDOZBBJOCKNQP-ZCFIWIBFSA-N 285.329 -0.192 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc2[nH]c(=O)n(C)c2c1 162114830 SMBNBCDDKXYISI-UHFFFAOYSA-N 291.311 -0.811 50 20 CBGD O=C(CO)NNC(=O)c1ccn(-c2ccc(F)cc2)n1 180953782 DRIIINFFYKPWRZ-UHFFFAOYSA-N 278.243 -0.235 50 20 CBGD O=C(NNC(=O)[C@H]1COc2ccccc21)C(=O)NC1CC1 264851522 CBYPODQUFCYPED-JTQLQIEISA-N 289.291 -0.411 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@]2(O)CCSC2)[nH]n1 270928279 VKOVVIYLPTWLCJ-SNVBAGLBSA-N 270.314 -0.653 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CNC(=O)c1ccc(F)cc1 278001621 QTCQSRZYIBOEIA-UHFFFAOYSA-N 297.286 -0.526 50 20 CBGD CO[C@H](C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1)c1cnn(C)c1 294235670 NAFOHZZBQZGWKN-LSJOCFKGSA-N 296.327 -0.178 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 491127434 BEENUIBRKCVKOS-AAXQSMANSA-N 287.341 -0.420 50 20 CBGD CC(C)[C@@H](O)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 495690356 LPJUPWJEKIYEBN-SECBINFHSA-N 289.332 -0.325 50 20 CBGD CCN1CC[C@H](CNC(=O)c2ccc(B(O)O)c(F)c2)C1 584932979 CRZZAIRVEFSMGZ-SNVBAGLBSA-N 294.135 -0.423 50 20 CBGD N#CC1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584938126 WZTVNBCOPXHVEN-UHFFFAOYSA-N 258.086 -0.258 50 20 CBGD C[C@H](CCN(C)C)NC(=O)c1ccc(B(O)O)c(F)c1 584946522 UEJVBFQTHNVKMP-SECBINFHSA-N 282.124 -0.425 50 20 CBGD O=C(NC[C@@]1(O)CCSC1)c1ccc(B(O)O)c(F)c1 584956649 FRFBLDAEKKPULE-LBPRGKRZSA-N 299.132 -0.897 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCC(CO)CC1 584966139 VASPGEXENJFIJN-UHFFFAOYSA-N 281.092 -0.650 50 20 CBGD C[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)CC[S@@]1=O 584982457 KXNGUPRPYFWWDQ-FVINQWEUSA-N 295.169 -0.651 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCCOCC12CC2 584988919 VJPMBDSGRKVHDF-UHFFFAOYSA-N 275.113 -0.239 50 20 CBGD O=C(N[C@@H]1CCCSC1)c1ccc(B(O)O)cc1 584993489 ZAHIJUBPOXDEGF-LLVKDONJSA-N 265.143 -0.008 50 20 CBGD CC[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C(C)(C)O 584994015 CAKPDIDTXZLWPR-LLVKDONJSA-N 283.108 -0.215 50 20 CBGD C[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@@]1(C)CO 585009206 SDYKUQUQONPPRV-YGRLFVJLSA-N 277.129 -0.543 50 20 CBGD CN(C)[C@H]1CCC[C@H](NCc2ccc(B(O)O)o2)C1 585025934 GTCVCRZWLXYCPV-QWRGUYRKSA-N 266.150 -0.078 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)o1)C1CCOCC1 585031394 UKONRXFGDFNHCV-SECBINFHSA-N 253.107 -0.136 50 20 CBGD COC[C@@H](NCc1ccc(B(O)O)o1)[C@H]1CCCO1 585038416 DOFFPBJAEBOALC-GHMZBOCLSA-N 269.106 -0.757 50 20 CBGD CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NCB(O)O 585059384 LPQQPLIUVSALBV-VGANXODHSA-N 286.162 -0.628 50 20 CBGD O=S(=O)(Cc1cccc(Cl)c1)NCB(O)O 585059430 NKKHCLBQBDBKBI-UHFFFAOYSA-N 263.511 -0.229 50 20 CBGD O=C(NCB(O)O)c1ccc(-n2ccnc2S)cc1 585062682 VQUVMBVEJAAZEN-UHFFFAOYSA-N 277.114 -0.097 50 20 CBGD Cc1nn(C)c(C)c1CC(=O)NNC(=O)CN(C)C 727761532 MGWKKHTXPBLGHP-UHFFFAOYSA-N 267.333 -0.712 50 20 CBGD Cn1cc(/C=C/C(=O)NNC(=O)Cc2cc[nH]n2)cn1 730090598 KVPMOGICTFARAL-NSCUHMNNSA-N 274.284 -0.454 50 20 CBGD CN1CCN(C)[C@@H](CNC(=O)NNc2ccccn2)C1 732253422 HKLFSINNVZYKDD-NSHDSACASA-N 278.360 -0.047 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)COC[C@H]1CCCO1 733262599 MDMRJVACMFPOIX-SECBINFHSA-N 282.300 -0.325 50 20 CBGD O=C(NNC(=O)[C@@H]1Cc2ccccc21)C(=O)NC1CC1 740749363 WHWWFUBGSOGKGR-LLVKDONJSA-N 273.292 -0.248 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 749356629 FLFXKECFRKVTOL-ZETCQYMHSA-N 280.288 -0.887 50 20 CBGD CNS(=O)(=O)CC(=O)NNC(=O)CCc1ccccc1 751572732 UGWBYVQVFMPITB-UHFFFAOYSA-N 299.352 -0.684 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCc1cccnc1 768260976 JNECKJJGVZHVFD-UHFFFAOYSA-N 251.286 -0.068 50 20 CBGD COc1ccnc(NNC(=O)c2cc(OC)n(C)n2)n1 772133282 JZCQJNQQMTZHBI-UHFFFAOYSA-N 278.272 -0.016 50 20 CBGD CC(=O)NCC(=O)NCC(=O)NNc1cc(Cl)ccn1 778449273 BXLBPQTXFIFVKU-UHFFFAOYSA-N 299.718 -0.570 50 20 CBGD CCNC(=O)N(C)NC(=O)CCN1CCN(CC)CC1 780711004 GLVVESSHDCAGSW-UHFFFAOYSA-N 285.392 -0.294 50 20 CBGD Cc1cc(O)cc(=O)n1CC(=O)NN=c1cc[nH]cc1 780761033 BYIRXIVTVCTGKP-UHFFFAOYSA-N 274.280 -0.177 50 20 CBGD CN(C)CCOCCNC(=O)NNC(=O)C(C)(C)C 788015429 BFGZSANSCMTHJD-UHFFFAOYSA-N 274.365 -0.059 50 20 CBGD CCOC1CC(CC(=O)NNC(=O)CN(C)C)C1 789903655 XDAFAKOQKYZWSQ-UHFFFAOYSA-N 257.334 -0.099 50 20 CBGD COC(=O)c1cc(C(=O)NN(C)C(=O)OC)on1 804124198 CICFLGKUJQQCNU-UHFFFAOYSA-N 257.202 -0.196 50 20 CBGD CCN(CCO)NC(=O)Cn1c(C)cc(C)nc1=O 823873421 ATXLWKQYNSDMEV-UHFFFAOYSA-N 268.317 -0.794 50 20 CBGD C[C@]1(C(=O)NNC(=S)NCC2CCC2)CCNC1=O 824327087 AEDWGYRSSLJIOI-LBPRGKRZSA-N 284.385 -0.192 50 20 CBGD C#CCO[C@H](C)C(=O)NNC(=O)N1CCN(C)CC1 830240610 FHEKIAHAOAFGGF-SNVBAGLBSA-N 268.317 -0.987 50 20 CBGD CCN1C[C@@H](C(=O)NNC(=O)[C@@H]2CCCCO2)CC1=O 833256554 OQVFJFSCIXWGIW-UWVGGRQHSA-N 283.328 -0.429 50 20 CBGD Cc1cccc(C(=O)NNC(=O)C[C@H]2CC(=O)N2)n1 834814950 FXSODDPBPDELGS-MRVPVSSYSA-N 262.269 -0.570 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cn(CC(=O)O)nn1 842551943 GPAUUNQKJJWDDV-APPZFPTMSA-N 281.272 -0.762 50 20 CBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)CC1CC1 854665963 JTEUHMRCCYIYND-SSDOTTSWSA-N 277.346 -0.738 50 20 CBGD CC(C)(C)CC(=O)NCC(=O)NNC(=O)c1cc[nH]n1 855359607 YEUOLZGMZJEWKX-UHFFFAOYSA-N 281.316 -0.277 50 20 CBGD C[C@]1(CNC(=O)NNC(=O)c2cn[nH]c2)CCOC1 858217476 XAOKXKZFYPBKPJ-LLVKDONJSA-N 267.289 -0.220 50 20 CBGD CCO[C@H](C(=O)NNC(=O)N1CCOCC1)C1CC1 858905823 JSHVPYWOZNFZLB-JTQLQIEISA-N 271.317 -0.126 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@@H]1CCOC(=O)N1 859303923 XYHQUXSDYIRBRA-VIFPVBQESA-N 293.279 -0.045 50 20 CBGD Cc1ncc(S(=O)(=O)NNC(=O)C(C)C)n1C 863399244 BCTXLSKZOJCQAB-UHFFFAOYSA-N 260.319 -0.306 50 20 CBGD O=C1CC[C@H](C(=O)NNS(=O)(=O)C2=CCCCC2)N1 863411920 CTCVFTDCFYPWQE-SECBINFHSA-N 287.341 -0.327 50 20 CBGD C#C[C@H](NC(=O)c1cccc(B(O)O)c1)[C@H]1CCCO1 863878324 CXAJMUWGQRFKLN-QWHCGFSZSA-N 273.097 -0.723 50 20 CBGD CC[S@@](=O)CCNCc1ccccc1B(O)O 863888312 NWXSHGJORBSKKG-QGZVFWFLSA-N 255.148 -0.775 50 20 CBGD COC(=O)[C@@H](CO)NS(=O)(=O)CC(C)(C)CCl 867054618 SYLSSMMSGQNVOF-SSDOTTSWSA-N 287.765 -0.295 50 20 CBGD COCCOCC(=O)NNC(=O)COCc1ccccn1 869905899 QIBBHKCNWUHHJU-UHFFFAOYSA-N 297.311 -0.591 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 869906012 UGVPFHVHSDHAOF-BBBLOLIVSA-N 272.301 -0.636 50 20 CBGD CO[C@@H]1CN([C@H](C)C(=O)NNC(=O)CC(C)C)CCO1 878969687 ACPLWEINIZXBBJ-PWSUYJOCSA-N 287.360 -0.127 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCCN1C 898080128 CEQZNPLODNJIHA-BBBLOLIVSA-N 255.318 -0.347 50 20 CBGD CC(C)CC(=O)NCCC(=O)NN(C)C[C@H](C)O 910162578 HQILLZWQXNSCCC-JTQLQIEISA-N 259.350 -0.117 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@H](C)NC(=O)c1ccoc1 910170462 LVSPZQGDNPBIHK-IUCAKERBSA-N 269.301 -0.258 50 20 CBGD C[C@H]1CN(CCC(=O)NNC(=O)C(F)F)C[C@@H](C)O1 912920731 AHXNLRLRTBMXHP-OCAPTIKFSA-N 279.287 -0.102 50 20 CBGD O=C(CCc1nc[nH]n1)NNc1ncc(F)cn1 1116403371 NOPCWLLIRNERMW-UHFFFAOYSA-N 251.225 -0.190 50 20 CBGD CC(C)NC(=S)NNC(=O)C1(S(C)(=O)=O)CCC1 1116878065 SIJJBERSHIVGPD-UHFFFAOYSA-N 293.414 -0.143 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cc2n(n1)CCO2 1117666451 VEYHVSIQPSDEGC-UHFFFAOYSA-N 276.256 -0.998 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCCN(C(N)=O)C1 1119048124 VFYCOJXVZVLFHA-DTWKUNHWSA-N 258.322 -0.879 50 20 CBGD CCOC(=O)NNS(=O)(=O)c1cnc2c(cnn2C)c1 1255225294 ZLOXYCTXTGQKCB-UHFFFAOYSA-N 299.312 -0.092 50 20 CBGD Cn1cc(NC(=O)C(=O)NNC(=O)C2CCCC2)cn1 1261892307 FCMYLTBREZWNOY-UHFFFAOYSA-N 279.300 -0.304 50 20 CBGD COc1ccc(C(=O)NNC(=O)Cn2cncn2)cc1 1317900029 HRVUQIALBNBBKD-UHFFFAOYSA-N 275.268 -0.252 50 20 CBGD O=C(NCc1nnnn1C1CC1)NNC(=O)C1CCC1 1318779677 IQFRQQAXHNNKCL-UHFFFAOYSA-N 279.304 -0.362 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)Cc1ccncc1 1318891072 RUIGKJOBIKAIEA-UHFFFAOYSA-N 264.285 -0.750 50 20 CBGD C[C@H](NC(=O)NNC(=O)c1cnn(C)c1)c1cnn(C)c1 1319233750 FYRKKIMRUZZJTH-QMMMGPOBSA-N 291.315 -0.141 50 20 CBGD CNC(=O)NNC(=O)c1cccc(C(=O)NC)n1 1322588260 PUNYJBHPOHZIJO-UHFFFAOYSA-N 251.246 -0.985 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](C)CCc1cccn1C 1323457423 YKYYSMXDWQYIPR-SECBINFHSA-N 296.327 -0.150 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCN(CC(=O)N(C)C)CC1 1331511409 XQBAFVBTINACKH-VAWYXSNFSA-N 294.355 -0.337 50 20 CBGD COC(=O)C[C@H](O)CNC(=O)/C(C#N)=C/c1cnn(C)c1 1335347798 JAHKLWBJDQGYQQ-LFJXOHPOSA-N 292.295 -0.633 50 20 CBGD COC(=O)[C@H]1C[C@@H](C(=O)NNC(=O)N2CCN(C)CC2)C1 1337275250 SBNCOIIBPQLKBH-AOOOYVTPSA-N 298.343 -0.826 50 20 CBGD CCNC(=O)N(C)NC(=O)C1CCN(C(C)=O)CC1 1342690634 GQVZOPOFWWMGNF-UHFFFAOYSA-N 270.333 -0.063 50 20 CBGD CN(C)CCn1ccc(C(=O)NNc2ccncn2)n1 1346477814 OZXIIWXJOSXBHC-UHFFFAOYSA-N 275.316 -0.008 50 20 CBGD N[C@@H](Cc1ccncc1)C(=O)NN=c1cc[nH]cc1 1580369152 PUYTZYXXAVLSIY-LBPRGKRZSA-N 257.297 -0.088 50 20 CBGD CC1(C)C[C@]1(C(=O)O)C(=O)NNC(=O)Cc1cc[nH]n1 1589219214 JGDXNJPYCIYVNO-GFCCVEGCSA-N 280.284 -0.400 50 20 CBGD Cn1nncc1NNC(=O)c1ccc(-c2nn[nH]n2)s1 1592613148 MQVZPCGTSVZPOW-UHFFFAOYSA-N 291.300 -0.186 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(C(=O)O)no1 1594646524 YHMZWLSELNSRPB-PHDIDXHHSA-N 283.240 -0.441 50 20 CBGD O=C(NNC(=O)[C@@]1(C(=O)O)CCCO1)C1CCOCC1 1594783063 TWWMORQUDRQAEV-GFCCVEGCSA-N 286.284 -0.806 50 20 CBGD O=C(O)CNC(=O)NN=C1CCCn2ccnc21 1608754243 RHOUOXDBWCACQZ-UHFFFAOYSA-N 251.246 -0.235 50 20 CBGD C[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847564449 WMEFMXJJDDBSNG-XKNYDFJKSA-N 290.747 -0.831 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1ccn(CC(F)F)n1 156161669 UMBRWSICUINCFQ-UHFFFAOYSA-N 290.274 -0.138 50 20 CBGD CC(=O)NNC(=O)C(=O)NCCCc1ccccc1 264331859 TWNJCQIJLLAITC-UHFFFAOYSA-N 263.297 -0.097 50 20 CBGD CN(C)CC(=O)NNC(=O)COc1ccccc1O 264458580 IIAZCKPMOVUAGH-UHFFFAOYSA-N 267.285 -0.520 50 20 CBGD CC(C)CC(=O)NNC(=O)NCCN1C(=O)CCC1=O 264969813 AUUHVBMVZLEGRF-UHFFFAOYSA-N 284.316 -0.488 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)COCCOC 265899784 UJIIAYYRXQAHSM-UHFFFAOYSA-N 289.332 -0.898 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCO1)c1ncccc1O 294782133 ZDZZOROVUDFGIH-QMMMGPOBSA-N 251.242 -0.273 50 20 CBGD CNC(=O)NCCNS(=O)(=O)CCCCCl 397470022 XHYMAQYAWHJAQK-UHFFFAOYSA-N 271.770 -0.146 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2NC(=O)O[C@H]2C)n1 496362397 DYSDCSKBLDNCQL-POYBYMJQSA-N 281.272 -0.266 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@H]2NC(=O)O[C@@H]2C)n1 496762645 FZVKEPXKYWZNJX-APPZFPTMSA-N 278.268 -0.352 50 20 CBGD CCOC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584958382 XUHFADNUOFHHJC-LLVKDONJSA-N 277.129 -0.135 50 20 CBGD C[C@@H](CO)[C@@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584962289 CPFRBLPCAHYEBY-JGVFFNPUSA-N 269.081 -0.748 50 20 CBGD CC[C@@H](NC(=O)c1cccc(B(O)O)c1)[C@@H](O)C(C)C 585002400 UGCDMAQHXCWWFQ-OLZOCXBDSA-N 279.145 -0.108 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@@]2(O)C[C@H]2C1 585007397 LVNJESRKQKABNA-TVQRCGJNSA-N 279.076 -0.898 50 20 CBGD COCC[C@](C)(O)CNCc1ccccc1B(O)O 585024060 SNQPIOQOUHXZRC-ZDUSSCGKSA-N 267.134 -0.757 50 20 CBGD C[C@H]1CCN(S(=O)(=O)N2CC[C@H](B(O)O)C2)C1 585058641 LPAQZJUFMCNKSQ-IUCAKERBSA-N 262.140 -0.878 50 20 CBGD NC(=O)CNC(=S)NNC(=O)c1c[nH]c2ccccc12 727065061 RWPWYFMHBWREIJ-UHFFFAOYSA-N 291.336 -0.238 50 20 CBGD CC(=O)N1CC[C@](C)(C(=O)NNC(=O)NCC2CC2)C1 746838398 FMOUERGHIMYGTD-ZDUSSCGKSA-N 282.344 -0.015 50 20 CBGD CN1CCC[C@H](NC(=O)NNC(=O)c2ccc[nH]2)C1=O 748663350 LIEPAJLBQSDLCF-VIFPVBQESA-N 279.300 -0.421 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2n[nH]c(C)c2O)n[nH]1 749257964 HOFNAPUBQVQXKP-UHFFFAOYSA-N 264.245 -0.470 50 20 CBGD Cc1ccn(-c2ccc(C(=O)NNC(=O)CO)cc2)n1 753439761 SWTWDYYTOXBRCE-UHFFFAOYSA-N 274.280 -0.066 50 20 CBGD Cc1nnsc1C(=O)NNC(=O)N1CCOCC1 754649555 NDNRFQIEDAILMC-UHFFFAOYSA-N 271.302 -0.467 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)C1CCOCC1 755890083 OZTVXUMKVPBFSD-SECBINFHSA-N 291.373 -0.157 50 20 CBGD O=C(CN1CCC(=O)NC1=O)NN=c1cc[nH]cc1Cl 757413889 RMXXKIUAPVKTSE-UHFFFAOYSA-N 297.702 -0.458 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)N(CC)CC 768495386 XKVMKVXNVRKYJH-UHFFFAOYSA-N 252.340 -0.261 50 20 CBGD COc1ccc(NC(=O)NNC(=O)CN(C)C)c(OC)n1 775570525 LVNUNHKILSKXRY-UHFFFAOYSA-N 297.315 -0.187 50 20 CBGD CN1CCC[C@H]1C(=O)NNC(=O)N=c1cc[nH]cc1 802029020 JZEIGFNGRKCCKD-JTQLQIEISA-N 263.301 -0.250 50 20 CBGD CN1CCN(C(=O)NNC(=O)CC(C)(C)O)CC1 807383506 YAGHFVPHJLZEKL-UHFFFAOYSA-N 258.322 -0.864 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc2c(c1)C(=O)OC2 808880587 ASNNGZGBJDHRNK-UHFFFAOYSA-N 265.225 -0.498 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc(O)cc(C#N)c1 809661499 GZKVKAADSBAWKQ-UHFFFAOYSA-N 262.269 -0.414 50 20 CBGD CN(N=Cc1ccc(S(N)(=O)=O)cc1)C(N)=O 811645842 DMYDCNPCQAPVSY-UHFFFAOYSA-N 256.287 -0.322 50 20 CBGD CC(=O)NCC(=O)NNC(=O)c1cc(Cl)ccc1O 842507534 AZZDCKOFPPYLRK-UHFFFAOYSA-N 285.687 -0.057 50 20 CBGD Cc1cnc2cc(C(=O)NNC(=O)CN(C)C)ccn12 848369689 QIPSSKGUUHYCKN-UHFFFAOYSA-N 275.312 -0.035 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)[C@H]1CCCCO1)C(=O)O 848584279 SSAVANHLDZJNNY-JGVFFNPUSA-N 273.289 -0.393 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@H](C)C(=O)O 848586442 ZXUOSZMXPHNQFN-YUMQZZPRSA-N 291.304 -0.911 50 20 CBGD O=C(NNc1cccnc1Cl)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 854930308 VGMNQPTXNUMTLV-OPRDCNLKSA-N 299.714 -0.409 50 20 CBGD O=C(CNC(=O)C1CC1)NNC(=O)c1cccc(F)n1 856421586 CAHHIXURGUQTKP-UHFFFAOYSA-N 280.259 -0.492 50 20 CBGD CCNC(=O)CCC(=O)NNC(=O)c1cccc(F)n1 856423692 AZQGPJICGOVGMU-UHFFFAOYSA-N 282.275 -0.102 50 20 CBGD CC[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(F)F 858497920 KFVSVDYIOARWGN-WDSKDSINSA-N 278.259 -0.361 50 20 CBGD CCOCCCNC(=S)NNC(=O)c1cn[nH]c1 863205420 WCUHVXAYNCVLEO-UHFFFAOYSA-N 271.346 -0.055 50 20 CBGD Cc1ccccc1OCC(=O)NNC(=O)[C@H]1CCC(=O)N1 863971936 KBULKKBEMRJXHW-SNVBAGLBSA-N 291.307 -0.200 50 20 CBGD COCCOCC(=O)NN=C(C)c1ncccn1 872400706 ZFMMASOTOKGUFQ-UHFFFAOYSA-N 252.274 -0.020 50 20 CBGD Cn1cc(C(=O)NNC(=S)NC(C)(C)C)n(C)c1=O 900000986 BIOGRCJXBQWCIJ-UHFFFAOYSA-N 285.373 -0.369 50 20 CBGD CC(C)N1CCN(CCCC(=O)NN(C)C(N)=O)CC1 901277579 GIGSJHMVLYCDCA-UHFFFAOYSA-N 285.392 -0.166 50 20 CBGD CSC[C@H](C)C(=O)NNC(=O)CN1CCCC1=O 913730948 OJVSJNOLUFWSQV-QMMMGPOBSA-N 273.358 -0.245 50 20 CBGD CNC(=O)CCCNC(=O)NNc1ncccn1 918234637 BSXXBEPWUGLFCP-UHFFFAOYSA-N 252.278 -0.371 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccc2c(c1)CCO2 1116182095 UGUHNUASJOXUQV-UHFFFAOYSA-N 293.279 -0.375 50 20 CBGD NC(=O)Cn1cc(C(=O)NNc2cc(Cl)ccn2)nn1 1116492812 UIXMHQVCYXUOSI-UHFFFAOYSA-N 295.690 -0.431 50 20 CBGD NS(=O)(=O)C1(C(=O)NNc2ccccn2)CC1 1118307272 AUOOZVIHUHFQKR-UHFFFAOYSA-N 256.287 -0.654 50 20 CBGD CN1CCNC[C@H]1C(=O)NNC(=O)c1ccccc1 1122037997 BRCFEWCWMHKHDC-NSHDSACASA-N 262.313 -0.649 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C1(O)CCOCC1 1320505796 PEYZMBNERFJLDL-UHFFFAOYSA-N 268.273 -0.979 50 20 CBGD O=C(CCO)NNC(=O)Nc1cc2ccccn2n1 1322909564 YWVJGGXACZHEJR-UHFFFAOYSA-N 263.257 -0.131 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cccc(-n2cccn2)c1 1323939796 APDTWWFHDVMGHJ-UHFFFAOYSA-N 287.279 -0.022 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC(C(N)=O)CC1 1326026868 KTWRSBHKJDYODJ-WPRPVWTQSA-N 298.343 -0.651 50 20 CBGD O=C(NNc1cccc(F)n1)c1nnc(O)nc1O 1326461856 BGLDJPMJULKHRU-UHFFFAOYSA-N 266.192 -0.426 50 20 CBGD Cn1cnnc1COCC(=O)NNc1ncc(Cl)cn1 1328595287 RNCKEYDFXAWICT-UHFFFAOYSA-N 297.706 -0.082 50 20 CBGD CCN1CCC(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 1328699277 DHAKYBITEHYHQT-SNVBAGLBSA-N 297.359 -0.920 50 20 CBGD CCOC1CC(CC(=O)NNC(=O)CS(C)(=O)=O)C1 1329588400 KAXLPSDUWFNRKL-UHFFFAOYSA-N 292.357 -0.616 50 20 CBGD COC(=O)C(=O)NN=Cc1cnc(N2CCCC2)nc1 1330729215 FUHBVAXPUMYZHY-UHFFFAOYSA-N 277.284 -0.300 50 20 CBGD COCC1(C(=O)NNc2cnnn2C)CCOCC1 1331392316 IDRTUYLNWRCMCF-UHFFFAOYSA-N 269.305 -0.299 50 20 CBGD CC[C@H](C)C(=O)NNS(=O)(=O)c1cnnn1C 1331833649 LQFQOGJXSWQODI-LURJTMIESA-N 261.307 -0.829 50 20 CBGD CCn1ncnc1C=NNC(=O)CNC(=O)c1ccco1 1346492366 ISJOZGZSVZONMP-UHFFFAOYSA-N 290.283 -0.229 50 20 CBGD Cn1nc(C(=O)NNC(=O)C(C)(C)O)cc1C(F)(F)F 1346805645 LQUSVCWOZSWOTR-UHFFFAOYSA-N 294.233 -0.029 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(O)n1 1349454656 CLSBDPSJJWWLCN-JGVFFNPUSA-N 265.269 -0.027 50 20 CBGD O=C(CC(=O)N1CC[C@H](B(O)O)C1)NCC(F)(F)F 1351728431 GHQIBXCPRJEXAI-LURJTMIESA-N 282.027 -0.870 50 20 CBGD O=C(NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)[C@@H]1CCCCO1 1358265851 XMZUAMGNZQEJRB-FIQHERPVSA-N 298.339 -0.246 50 20 CBGD Cn1nccc1C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1 1549318182 OIQWRTIYQPGPNS-NWDGAFQWSA-N 277.328 -0.267 50 20 CBGD NCCOCC(=O)NNC(=O)COc1ccccc1F 1580312653 QQKONMFGNBXNSA-UHFFFAOYSA-N 285.275 -0.673 50 20 CBGD O=C(NNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21)C1CCNCC1 1580732383 BDKIXNYUMOPHPZ-FBIMIBRVSA-N 265.313 -0.642 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc(F)c(C(=O)O)c1F 1601330325 RYINFEUVYBYOBE-UHFFFAOYSA-N 289.194 -0.192 50 20 CBGD O=C(NC[C@@H]1COc2ccccc21)NNC(=O)C(=O)O 1601488888 ZFNNOXFPHAGEEO-SSDOTTSWSA-N 279.252 -0.422 50 20 CBGD Cc1cc(NNC(=O)[C@H](C(=O)O)C2CC2)nc(N)n1 1605213329 DDPABLVQJMZQPH-MRVPVSSYSA-N 265.273 -0.079 50 20 CBGD O=C(O)CSCCC(=O)NNC(=O)c1cn[nH]c1 1608766939 UJYZPVRBCVBGTB-UHFFFAOYSA-N 272.286 -0.621 50 20 CBGD NC1CCN(CC(=O)NNC(=O)c2ccccc2)CC1 36754131 VWSRNXWNWKSXEW-UHFFFAOYSA-N 276.340 -0.129 50 20 CBGD COC(=O)NCC(=O)NNC(=O)c1ccc2c(c1)OCO2 54871041 ASWRAOCGEUFQSY-UHFFFAOYSA-N 295.251 -0.468 50 20 CBGD CCNC(=O)CNC(=O)NNC(=O)c1ccc(C)o1 176358578 MIRJDQGTPWROQO-UHFFFAOYSA-N 268.273 -0.332 50 20 CBGD C[C@@H](NC(=O)CC(C)(C)C)C(=O)NN(C)C(N)=O 187461956 FMUPFDZLTDSAPL-SSDOTTSWSA-N 258.322 -0.031 50 20 CBGD C#C[C@@H](C)NC(=O)NNC(=O)CNC(=O)c1ccco1 187728335 GSNCICFAHGIHJP-MRVPVSSYSA-N 278.268 -0.639 50 20 CBGD COCCCNC(=O)NNC(=O)COc1cccnc1 264711712 WHIMBZSMXYTIKV-UHFFFAOYSA-N 282.300 -0.173 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)C2CC2)c(=O)n1 274153848 DBCSPXRZMQWFPK-UHFFFAOYSA-N 264.285 -0.582 50 20 CBGD CC1(CCNC(=O)NNC(=O)C(=O)NC2CC2)CC1 280467198 SYJXQVMONRGSAW-UHFFFAOYSA-N 268.317 -0.214 50 20 CBGD O=C(NCCN1C(=O)CNC1=O)NNc1cccc(F)n1 286887147 ZROBBSCXOXQNTR-UHFFFAOYSA-N 296.262 -0.601 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 367892488 JTIGOCVWCGEUFQ-LLVKDONJSA-N 291.307 -0.825 50 20 CBGD COCC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584976615 RWBWGQSDPHZNDP-NSHDSACASA-N 277.129 -0.135 50 20 CBGD CC(C)OC[C@H](CO)N(C)C(=O)c1cccc(B(O)O)c1 584982031 HRZUJNJHWFGWHF-ZDUSSCGKSA-N 295.144 -0.776 50 20 CBGD CO[C@H]1COCC[C@H]1CNC(=O)c1ccc(B(O)O)cc1 584998528 REGSYUNKFRVNLZ-AAEUAGOBSA-N 293.128 -0.852 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H]2[C@@H](C1)C2(F)F 585004782 NCJHFGZTLWKCFJ-HTQZYQBOSA-N 285.030 -0.157 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@@H]2COC[C@@H]2C1 585005240 BVNLYHNNIDYRTG-MNOVXSKESA-N 293.103 -0.386 50 20 CBGD CN1CCC[C@H]1CCNC(=O)c1ccc(B(O)O)cc1 585008428 VNFUXOYUKYMAAV-ZDUSSCGKSA-N 276.145 -0.420 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCO[C@]3(CCOC3)C2)o1 585034447 LCYZSPCOMUKSRU-GXFFZTMASA-N 281.117 -0.613 50 20 CBGD O=C1CC[C@H](CCNCc2ccc(B(O)O)cc2F)N1 585041130 UTVMTUOLOXFFJR-LLVKDONJSA-N 280.108 -0.736 50 20 CBGD CN1CC[C@@](O)(CNS(=O)(=O)CCCCCl)C1 702553991 PQMBSMILFYOOHP-SNVBAGLBSA-N 284.809 -0.009 50 20 CBGD C[C@H](C(=O)NNC(=O)C1CCC1)N1CCN(C)CC1 732293049 WPOJLGFABJFUAX-SNVBAGLBSA-N 268.361 -0.430 50 20 CBGD Cc1nn2cccnc2c1C(=O)NNC(=O)CN(C)C 733359316 CWKABSZOXDPKQL-UHFFFAOYSA-N 276.300 -0.640 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(C(=O)O)cc1F 743254434 QBEBJZPVNFNWLY-UHFFFAOYSA-N 291.260 -0.354 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCOC[C@H]1C#N 746478810 NZHARAXRXVBTCF-GHMZBOCLSA-N 282.344 -0.207 50 20 CBGD CNC(=O)NNC(=O)[C@H]1CCCN1c1ncccn1 747366692 ZKQUFRUDDJWLAH-MRVPVSSYSA-N 264.289 -0.594 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)C(=O)N1CCCC1)C1CC1 748458582 XYWSAVMXHHFKNF-VIFPVBQESA-N 282.344 -0.015 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 753440622 VUXHMNRPGAFSAV-LBPRGKRZSA-N 292.339 -0.567 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCCOC1 772090248 XPOJEFZTEKXUTI-BDAKNGLRSA-N 272.301 -0.098 50 20 CBGD O=C(NNc1ccccn1)[C@H]1CN2CCCN1CC2 777473060 VNNCQQCQXUYZCN-LLVKDONJSA-N 261.329 -0.085 50 20 CBGD Cn1nnc(CNC(=O)NNc2cccc([N+](=O)[O-])c2)n1 787443394 YNOIFZMGWQTDEK-UHFFFAOYSA-N 292.259 -0.055 50 20 CBGD C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)C(C)(C)O 787946337 RFGIZHQRGYRHGU-ZJUUUORDSA-N 288.344 -0.121 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CNC(=O)CCC1CCCC1 787947767 VGWFREATOHWAHH-UHFFFAOYSA-N 299.371 -0.009 50 20 CBGD CC(C)(O)CC(=O)NNC(=O)Cc1ccncc1 792215029 UQZRUZLQUIJSGJ-UHFFFAOYSA-N 251.286 -0.068 50 20 CBGD CC(C)NC(=O)C(=O)NN=C1CNC(=O)c2ccccc21 817323030 QQNYXEBSBMPPMS-UHFFFAOYSA-N 288.307 -0.225 50 20 CBGD O=C(CC1CC1)NNC(=O)c1cccn2c(O)nnc12 819141308 XIASQEFYXMMWHQ-UHFFFAOYSA-N 275.268 -0.004 50 20 CBGD CCn1cc(CNC(=O)NNc2nccc(OC)n2)nn1 821733416 ZYHQXZSMTOBHTK-UHFFFAOYSA-N 292.303 -0.077 50 20 CBGD COCCN(C)NC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F 822843161 INSPQPZYYYMPNA-SFYZADRCSA-N 297.277 -0.090 50 20 CBGD CCN(CCO)NC(=O)[C@H](C)OC[C@@H]1CCCO1 823852340 DMXRRXQTEXIBRJ-QWRGUYRKSA-N 260.334 -0.084 50 20 CBGD Cc1ccncc1CC(=O)NNC(=O)C(C)(C)O 832749127 CRVLQNAUKQAAQX-UHFFFAOYSA-N 251.286 -0.149 50 20 CBGD COc1cc(CCC(=O)NNC(=O)C(C)(C)O)on1 832750224 WHKLIQNRHOZVQQ-UHFFFAOYSA-N 271.273 -0.466 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](NC)C1 843348885 VLAZXUBJJCZXIJ-VHSXEESVSA-N 256.350 -0.384 50 20 CBGD CCCn1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)nn1 843663966 ZYGOFRGHZGREFB-RKDXNWHRSA-N 281.316 -0.126 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2cncn2C1)c1ncccn1 844146681 MVWIFBXZGYREON-SECBINFHSA-N 286.295 -0.303 50 20 CBGD CSSCCNC(=O)[C@H]1CCS(=O)(=O)N1 846097115 FJBNDWXIZFGMQO-ZCFIWIBFSA-N 270.401 -0.195 50 20 CBGD CN(NC(=O)[C@H]1CCS(=O)(=O)N1)c1ccccc1 846628893 WMGKIFZVSFMKFD-SNVBAGLBSA-N 269.326 -0.154 50 20 CBGD COc1nccnc1NNC(=O)C1(n2cnnn2)CC1 854954172 WKPPBTJRYNPXSU-UHFFFAOYSA-N 276.260 -0.896 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NNC(=O)c1cc[nH]n1 855357217 DNPPIYJUGYHYQC-VIFPVBQESA-N 281.316 -0.861 50 20 CBGD CSSCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858433987 RULXZOZRHXCZPA-LURJTMIESA-N 292.386 -0.393 50 20 CBGD CC1CC(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858628064 JIOLTUYXUCAVEH-HACHORDNSA-N 268.317 -0.359 50 20 CBGD CCOc1nc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)co1 862460777 JTZFLFWANLRTPP-ZCFIWIBFSA-N 282.256 -0.887 50 20 CBGD Cc1cc(=NNC(=O)CN2CC(=O)N(C)C2=O)cc[nH]1 862515836 DJRDAYREXSQHKU-UHFFFAOYSA-N 277.284 -0.851 50 20 CBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)C(C)(C)n1cncn1 863153242 PZKBWDKQIKMCGT-SECBINFHSA-N 278.316 -0.216 50 20 CBGD CCC/C(C)=C/C(=O)NNC(=O)CS(C)(=O)=O 863460215 ONGDWZFPYFYQBQ-SOFGYWHQSA-N 262.331 -0.075 50 20 CBGD CCOC(=O)N1CC[C@H](NCc2ccc(B(O)O)cc2)C1 863890609 AJPGOHKTKAWWRN-ZDUSSCGKSA-N 292.144 -0.313 50 20 CBGD O=C(/C=C/CN1CCOCC1)NN=c1cc[nH]cc1 867284913 UXLFAROJNQVUQG-OWOJBTEDSA-N 262.313 -0.165 50 20 CBGD CC#CCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 875504170 NXOIDPWQNUJZAT-QMMMGPOBSA-N 252.274 -0.991 50 20 CBGD CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)C(=O)N1CCCC1 896014973 MQUWDHODPSLAQB-SNVBAGLBSA-N 296.371 -0.371 50 20 CBGD CN1CC[C@H]1CNC(=O)NNC(=O)c1ccc[nH]1 925397568 IAUFCMWXCNTKNA-QMMMGPOBSA-N 251.290 -0.337 50 20 CBGD O=C(CN1CC[C@@H](C2OCCO2)C1)NNC(=O)C1CC1 932002771 JMNLOMPQGCBDSY-SNVBAGLBSA-N 283.328 -0.761 50 20 CBGD Cc1nc(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n[nH]1 1118712106 HCNHOIAQUQLTTR-POYBYMJQSA-N 267.289 -0.772 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21 1152023805 UEEPOURKOJWZMX-GGZOMVNGSA-N 281.312 -0.819 50 20 CBGD Cc1cc(NC(=O)C(=O)NNC(=O)C2CCC2)no1 1251772679 YNNVFMSKLVSAFM-UHFFFAOYSA-N 266.257 -0.131 50 20 CBGD Cn1cc([C@@H](O)C(=O)NNc2ncncc2F)cn1 1261247984 QZKJUBFJLIVABF-MRVPVSSYSA-N 266.236 -0.474 50 20 CBGD C[C@H](C(=O)NNc1ncncc1F)[C@@H]1CCC(=O)N1 1261825117 VTKZLOYFBWVYTD-XPUUQOCRSA-N 267.264 -0.027 50 20 CBGD CS(=O)(=O)CCNC(=S)NNC(=O)NCC1CC1 1318275100 DRNCLCMEAFYIKX-UHFFFAOYSA-N 294.402 -0.881 50 20 CBGD O=C(CCc1nc[nH]n1)NNc1ncnc2[nH]cnc12 1319127944 PLYZBMRKYWLICZ-UHFFFAOYSA-N 273.260 -0.453 50 20 CBGD O=C(CO[C@@H]1CCOC1)NNc1ncc(F)cn1 1319647308 QRTNQLKFWHMGKZ-MRVPVSSYSA-N 256.237 -0.136 50 20 CBGD Cc1nc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)co1 1321287301 NAZBZUMDNNTYDI-SSDOTTSWSA-N 287.297 -0.821 50 20 CBGD Cc1nnc(NNC(=O)Cc2c(C)n[nH]c2C)nc1O 1322839456 PWCBWMYASUMYEV-UHFFFAOYSA-N 277.288 -0.089 50 20 CBGD COCCn1cc(C(=O)NNC(=O)N(C)C)c(C)n1 1325172312 NRWLRRDNBFVKQS-UHFFFAOYSA-N 269.305 -0.246 50 20 CBGD CN(C)CC[C@@H](N)C(=O)NNc1nncc(N)c1Cl 1326907983 SYVAEDAPRAPWDA-ZCFIWIBFSA-N 287.755 -0.566 50 20 CBGD Cc1ccncc1CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329078122 LPKKOMLLKBCHQB-JTQLQIEISA-N 276.296 -0.641 50 20 CBGD O=C1NCCN1CCNS(=O)(=O)CBr 1331236687 GGPYZZDGRBOEBI-UHFFFAOYSA-N 286.151 -0.717 50 20 CBGD Cc1cncc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 1331533313 KOTUCFIAWDNTQZ-JTQLQIEISA-N 291.311 -0.501 50 20 CBGD CO[C@@]1(C(=O)NNc2nccn(C)c2=O)CCSC1 1338361659 IWVSQLVMYRWWGZ-NSHDSACASA-N 284.341 -0.255 50 20 CBGD COc1cncc(NC(=O)C(=O)NNC(=O)C2CCC2)n1 1346193148 FFTVMJJOVPRPTK-UHFFFAOYSA-N 293.283 -0.629 50 20 CBGD Cc1nnc(NNC(=O)[C@@H]2CC[C@@H]2C(=O)O)n1C 1594493267 YBJZXQQTNNTWQY-RQJHMYQMSA-N 253.262 -0.323 50 20 CBGD O=C(Cn1ccc(C(=O)O)n1)NNc1ccncn1 1601385302 YASQWTBFYCVBKV-UHFFFAOYSA-N 262.229 -0.485 50 20 CBGD COCCN(CC(=O)O)S(=O)(=O)CCCCl 1604593056 RKNQDXKFZJUIML-UHFFFAOYSA-N 273.738 -0.022 50 20 CBGD N#C/C(=C\C1CC1)C(=O)OCC(=O)NCC(=O)O 1605576210 JXHJGEGFTRXKDE-FPYGCLRLSA-N 252.226 -0.410 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNc1ccc(C(=O)O)cn1 1606186718 MYEFAIKHDBTPBP-QMMMGPOBSA-N 278.268 -0.156 50 20 CBGD CC(C)(CC=NNC(=O)C(=O)NC1CC1)C(=O)O 1609674047 IYFBCMRCFXZJLQ-UHFFFAOYSA-N 255.274 -0.132 50 20 CBGD CNC(=O)NNC(=O)Cn1cc([N+](=O)[O-])nc1C 49458251 IMUPZZZTVVMNDZ-UHFFFAOYSA-N 256.222 -0.940 50 20 CBGD O=C(NNc1cccnn1)N[C@@H]1CCCCNC1=O 77350477 XBCORFUKLQMIIE-MRVPVSSYSA-N 264.289 -0.229 50 20 CBGD CO[C@@H](C)CCC(=O)NNC(=O)c1cnn(C)c1 181480335 PPKDGUAJNYXLJM-QMMMGPOBSA-N 254.290 -0.004 50 20 CBGD CC(C)(C)n1nccc1NC(=O)NNC(=O)CO 190516573 YTKKNWJZBUEVHD-UHFFFAOYSA-N 255.278 -0.217 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)[C@H]1CCOC1 264574255 STKHLFXHDYHEOO-VIFPVBQESA-N 280.280 -0.045 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)c2ccccn2)C1 266780761 MYCYGHBLRROGPO-SNVBAGLBSA-N 264.285 -0.827 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CN2C(=O)CN(C)C2=O)o1 267819264 HOAKIEICURUEKY-UHFFFAOYSA-N 294.267 -0.757 50 20 CBGD CNC(=O)CN(C)CC(=O)NNC(=O)c1ccccc1 272779660 DQTQKPLBMPBEFQ-UHFFFAOYSA-N 278.312 -0.875 50 20 CBGD COC(=O)CCCNC(=O)NNC(=O)[C@H]1CCCCO1 297577113 DNUACUAWQFDKPM-SECBINFHSA-N 287.316 -0.161 50 20 CBGD COc1ccnc(NNC(=O)CN2CCCCC2=O)n1 299230540 DFBBFNNTHYPMRD-UHFFFAOYSA-N 279.300 -0.059 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1C[C@H]2C=C[C@H]1N(C(=O)OC)C2 496982816 PSHMKQGSCBDEKL-IWSPIJDZSA-N 282.300 -0.411 50 20 CBGD CCCCN(CCO)C(=O)c1cc(B(O)O)ccc1F 584930876 DYBDIGPFOHLYLE-UHFFFAOYSA-N 283.108 -0.260 50 20 CBGD C[C@@H](O)[C@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 584971066 KJMDTWCZNOKWIA-ZWNOBZJWSA-N 277.129 -0.258 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CC(O)(C2CC2)C1 584976436 KKXIWGYDQZOQOH-UHFFFAOYSA-N 279.076 -0.898 50 20 CBGD CCn1ncc(CNC(=O)c2ccc(B(O)O)c(F)c2)n1 585009943 DDDXFNJXSBAYNM-UHFFFAOYSA-N 292.079 -0.953 50 20 CBGD C[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C[C@@H]1CO 585010954 VFPYMXOMODBCIR-NXEZZACHSA-N 295.119 -0.404 50 20 CBGD OB(O)c1ccc(CNCCCc2cnccn2)cc1 585030250 PVQYVCLMXFFLOS-UHFFFAOYSA-N 271.129 -0.121 50 20 CBGD COC[C@@H](CNCc1ccc(B(O)O)cc1F)OC 585033680 AKBCSKOEFFRTPA-LLVKDONJSA-N 271.097 -0.744 50 20 CBGD CN1CC[C@@H](CNCc2ccc(B(O)O)cc2F)CC1=O 585048276 MPFUFRCKRYVHGR-SNVBAGLBSA-N 294.135 -0.537 50 20 CBGD CC(C)[C@@H](O)Cc1nc(-c2ccc(B(O)O)cc2)no1 585055292 VQYJQFGEJQXSFW-NSHDSACASA-N 276.101 -0.024 50 20 CBGD COc1ccc(-n2nnc(C(=O)NCB(O)O)c2C)cc1 585062131 QJOBEAWHBHJZON-UHFFFAOYSA-N 290.088 -0.674 50 20 CBGD CCC(CC)(C(=O)O)C(=O)N1CC[C@@H](B(O)O)C1 585063680 FLFSBEKTVIEZEM-MRVPVSSYSA-N 257.095 -0.047 50 20 CBGD CCCN1CCC[C@H]1C(=O)N1CC[C@H](B(O)O)C1 585069289 KTPVIZMGRWLFAJ-QWRGUYRKSA-N 254.139 -0.064 50 20 CBGD OB(O)[C@@H]1CCN(c2nnnn2-c2ccccc2)C1 585074141 UYYJMGBSTOEZJB-SECBINFHSA-N 259.078 -0.285 50 20 CBGD Cc1n[nH]cc1S(=O)(=O)NNC(=O)NC(C)C 732045433 KJQXGFKSHXKEMY-UHFFFAOYSA-N 261.307 -0.381 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2C[C@H]2C(=O)O)n1 738142682 DXUBRIUMJFAPRE-PHDIDXHHSA-N 252.230 -0.351 50 20 CBGD CCc1c(C(=O)NNC(=O)N2CCOCC2)cnn1C 745986602 YRLXBWDTPDDIDY-UHFFFAOYSA-N 281.316 -0.331 50 20 CBGD CCc1c(C(=O)NNC(=O)C(=O)N2CCCC2)cnn1C 748239016 CYBOCOCSLXTABY-UHFFFAOYSA-N 293.327 -0.634 50 20 CBGD CCCCNC(=O)NN=Cc1c(N)n(C)c(=O)n(C)c1=O 749815697 PDANUKSEMWVWQO-UHFFFAOYSA-N 296.331 -0.901 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 755283912 FPWBTJDSEPGUJN-MRVPVSSYSA-N 291.311 -0.890 50 20 CBGD CCN1CCN([C@H](C)C(=O)NNC(=O)CC(C)C)CC1=O 755293722 HDVQHUXVHIRFBK-LLVKDONJSA-N 298.387 -0.268 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(C)(C)O)n2nc(C)cc2n1 768255483 KPXZWWDQLIOOGV-UHFFFAOYSA-N 291.311 -0.122 50 20 CBGD CCC[C@](C)(O)C(=O)NNC(=O)c1cnn(C)c1 770990771 RGBVJNQYPUQDTB-NSHDSACASA-N 254.290 -0.268 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cccc([S@](C)=O)c1 771741980 SXVBKSFPGBLYPQ-IBGZPJMESA-N 283.353 -0.253 50 20 CBGD COCC(=O)NN=Cc1cccn1CC(=O)OC 776187411 HBJLBCIZVBYUNU-UHFFFAOYSA-N 253.258 -0.242 50 20 CBGD O=C(NNc1nc2ccccn2n1)N[C@@H]1CC[S@](=O)C1 790425662 ONYXAGBPVQBRGY-SQFXPLBJSA-N 294.340 -0.124 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)[C@H](C)CO 792930331 DGPIZWQNJVYSGC-ZJUUUORDSA-N 259.350 -0.119 50 20 CBGD CCO/C=C(\C#N)C(=O)Nn1cnn(CC)c1=O 820388768 WGHNDMKZYJHYTR-SOFGYWHQSA-N 251.246 -0.421 50 20 CBGD CCN(CCO)NC(=O)c1ccc2c(c1)nnn2C 823856439 RVVUATLRFNRBKP-UHFFFAOYSA-N 263.301 -0.073 50 20 CBGD CN1C(=O)CC[C@H](NC(=O)NNc2ccncn2)C1=O 823905788 LYBZNHXTCPBYCZ-ZETCQYMHSA-N 278.272 -0.750 50 20 CBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)CC[C@@H]1N 843353947 RRELPCBQYHQBCQ-WPRPVWTQSA-N 254.334 -0.787 50 20 CBGD C=CCCn1cc(C=NNC(=O)C(=O)N2CCCC2)nn1 853298031 LEYWUOAPNLMNOP-UHFFFAOYSA-N 290.327 -0.073 50 20 CBGD CC(C)(O)C(=O)NN=Cc1nnn(C(C)(C)C)n1 853336678 JGRWHQZQAUNPKS-UHFFFAOYSA-N 254.294 -0.351 50 20 CBGD C=C[C@@H](O)C(=O)NNC(=O)C(C)(OCC)OCC 854388732 VSFOZKDAKBLBCH-MRVPVSSYSA-N 260.290 -0.530 50 20 CBGD CCOC(=O)[C@@H](CC(=O)NN(C)C(=O)OC)C(C)=O 854409054 GGWINEGFVJQEQT-QMMMGPOBSA-N 274.273 -0.126 50 20 CBGD C[C@]1(CNC(=O)[C@H](CO)NC(N)=O)C[C@@H]1Br 857735225 YYHROVDBAUSCJP-ATVXKPNKSA-N 294.149 -0.695 50 20 CBGD Cn1nc(C2CCOCC2)cc1NC(=O)NNC(=O)CO 861516266 AICFOLGWVFPKIJ-UHFFFAOYSA-N 297.315 -0.541 50 20 CBGD CN(NC(=O)[C@@H]1CC[C@H](C(N)=O)O1)C(=O)OC(C)(C)C 861958232 RWMOGUQPDXDPLO-SFYZADRCSA-N 287.316 -0.083 50 20 CBGD CC[C@@H]1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)O1 862457022 YQJLYULRFPLFDS-VGMNWLOBSA-N 269.301 -0.630 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCCCS2)N1 862459937 BQVGKBRFKGXJFI-YUMQZZPRSA-N 271.342 -0.302 50 20 CBGD N#C[C@@]1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC12CCCC2 862462827 YXLLSECQOMLUQS-YMTOWFKASA-N 290.323 -0.114 50 20 CBGD Cc1cccc(NNC(=O)[C@@H]2CC(=O)NC(=O)N2)n1 862519575 KPJRLKSGWLLTBX-ZETCQYMHSA-N 263.257 -0.569 50 20 CBGD COc1csc(C(=O)NNC(=O)CS(C)(=O)=O)c1 863462952 OTBQDKFXNXTAOI-UHFFFAOYSA-N 292.338 -0.438 50 20 CBGD CCc1cccnc1C(=O)NNC(=O)CS(C)(=O)=O 863464873 WFCMVEZHIYZYOR-UHFFFAOYSA-N 285.325 -0.550 50 20 CBGD CC[C@](C)(CC(=O)OC)NC(=O)c1ccc(B(O)O)cc1 863875660 ASZTWPVZGFSTEM-CQSZACIVSA-N 293.128 -0.172 50 20 CBGD CCOC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](B(O)O)C2)C1 864232723 BMZFVHUZPXOUBX-GHMZBOCLSA-N 298.148 -0.070 50 20 CBGD COc1ccnc(NNC(=O)/C=C/CN2CCOCC2)n1 864823053 IVNZSYHTJRVENR-NSCUHMNNSA-N 293.327 -0.183 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@H]2CCCCN2C)n[nH]1 869012538 VEOZKTCXKFILPP-LLVKDONJSA-N 279.344 -0.108 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H](C)Oc1cccnc1 869909625 DLLCVOLHJMMABG-JTQLQIEISA-N 297.311 -0.341 50 20 CBGD CCCNC(=O)NNC(=O)/C=C1/SCC(=O)N1C 874213712 BNHHGAUEYBVVKN-WEVVVXLNSA-N 272.330 -0.227 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccn(CC(C)C)n1 913433913 RUEHQMQXWCVECT-UHFFFAOYSA-N 298.343 -0.037 50 20 CBGD CCOCC(=O)NNC(=O)NCC1(N(C)C)CC1 923006240 GRQADEDMRMWGNE-UHFFFAOYSA-N 258.322 -0.553 50 20 CBGD O=C(CCn1ccnn1)NNC(=O)c1ccncc1 935630705 OUHWALWCHMRVOO-UHFFFAOYSA-N 260.257 -0.476 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cncc(C)c1 1116618423 WCWNMHSWZYJICY-UHFFFAOYSA-N 250.258 -0.114 50 20 CBGD C=CCNC(=S)NNC(=O)c1cc(C(N)=O)c[nH]1 1116896833 UVCDFXNLFMRWTK-UHFFFAOYSA-N 267.314 -0.592 50 20 CBGD COc1ccc(CC(=O)NNc2cnnn2C)nc1 1117723638 IGRQSTNARFCRMJ-UHFFFAOYSA-N 262.273 -0.096 50 20 CBGD CCCCOCCNC(=O)NNC(=O)C(=O)OC 1252438755 QWJNCTHATVVXLC-UHFFFAOYSA-N 261.278 -0.694 50 20 CBGD O=C(Cn1cccn1)NNC(=O)c1n[nH]c2c1CCCC2 1321971798 DZCLCYZIXFLCKQ-UHFFFAOYSA-N 288.311 -0.054 50 20 CBGD C/C=C(/C)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1322375934 KAZXYSTXTOHOAS-LSFDQVSLSA-N 275.330 -0.530 50 20 CBGD COC1(C(=O)NNc2ncnc3[nH]cnc23)CCOCC1 1323651029 KWHQAYWUCDTIGX-UHFFFAOYSA-N 292.299 -0.008 50 20 CBGD CCCCN(C)C[C@@H](C)NC(=O)NNC(=O)C(=O)OC 1323986186 QBTSAHAGJDGKQN-SECBINFHSA-N 288.348 -0.390 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCN(c2ncc[nH]2)CC1 1327586291 VECNYENLBGLCAU-UHFFFAOYSA-N 294.359 -0.665 50 20 CBGD CCN(CCO)NC(=O)Cn1ncc2ccccc2c1=O 1329863150 WDDRFYJHNCBLST-UHFFFAOYSA-N 290.323 -0.258 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(C#N)cs1 1331500047 UBANQVLWFUMZIM-UHFFFAOYSA-N 280.309 -0.095 50 20 CBGD O=C(NCCN1CCNC1=O)NNc1ccc(F)cn1 1332077344 QTBVUWGWTRZWMR-UHFFFAOYSA-N 282.279 -0.128 50 20 CBGD O=C(NN=C1CCN(CCO)CC1)c1cccnn1 1333198222 PWYRKHRICVPEMM-UHFFFAOYSA-N 263.301 -0.350 50 20 CBGD C[C@@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1cnn(C)c1 1334906279 INUSWLOBLBDKDU-APPZFPTMSA-N 294.315 -0.910 50 20 CBGD CC(=O)N[C@@H](CC(=O)NNc1ncccc1C)C(N)=O 1343566830 JMOHVEPKOLUNLT-VIFPVBQESA-N 279.300 -0.787 50 20 CBGD CCOCCCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1348085984 LMDUHNKSJKJQOS-SECBINFHSA-N 286.332 -0.588 50 20 CBGD N[C@@H](CCC(=O)NNC(=O)c1cnsn1)C(F)(F)F 1574284381 LYPAAZMTHGUGFW-YFKPBYRVSA-N 297.262 -0.031 50 20 CBGD CCCC[C@H](O)CCC(=O)NNC(=O)[C@H]1CCN1 1577418830 FDHWHMFLDOYEQJ-VHSXEESVSA-N 257.334 -0.173 50 20 CBGD C[C@](C#N)(CC(=O)O)C(=O)NNC(=O)[C@@H]1CCCCO1 1588541866 NSZUDKCCBAICOC-QPUJVOFHSA-N 283.284 -0.293 50 20 CBGD Cn1nncc1C(=O)NNc1ncccc1C(=O)O 1594597858 GAPPDLVXLVRANO-UHFFFAOYSA-N 262.229 -0.335 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)O)c(F)c1 1598883977 BVMPYVMSXGFFDQ-UHFFFAOYSA-N 299.214 -0.150 50 20 CBGD O=C(NNC(=O)C1CCOCC1)N[C@H]1CC[C@@H](C(=O)O)C1 1601553272 ADBAKPGSKBQHKP-ZJUUUORDSA-N 299.327 -0.003 50 20 CBGD CC(C)(C)[C@H](C(=O)O)C(=O)NNC(=O)c1cc[nH]n1 1602852096 HPPZOAXJCKQRHO-ZETCQYMHSA-N 268.273 -0.082 50 20 CBGD COC(=O)[C@H]1CC[C@@H](C(=O)O)N(S(=O)(=O)CCl)C1 1606396744 QLCBRGYGENTFRQ-BQBZGAKWSA-N 299.732 -0.149 50 20 CBGD Cc1ccccc1CCNC(=O)NNC(=O)C(=O)O 1607880352 GXVKIDPYGYHAJG-UHFFFAOYSA-N 265.269 -0.047 50 20 CBGD O=C1C[C@H]2O[C@@H](CI)[C@@H](O)[C@H]2O1 2048556763 CZOPNPBGJUPGBD-LCZOEFHHSA-N 284.049 -0.135 50 20 CBGD CCN(CC)S(=O)(=O)c1cc(C(=O)NN)n(C)c1 22158733 NDLVRIOUWLQIAH-UHFFFAOYSA-N 274.346 -0.341 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CCCCC(=O)N1 193707625 KOBLWELEYAGIHD-VIFPVBQESA-N 278.312 -0.155 50 20 CBGD C[C@H]1OCC[C@]1(O)CNS(=O)(=O)CBr 228083395 LEZUGZCKWZLEDU-RQJHMYQMSA-N 288.163 -0.202 50 20 CBGD COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)CN(C)C)c1C 263905466 GJPUNCPLCMIJBB-UHFFFAOYSA-N 296.327 -0.259 50 20 CBGD COCCN1C[C@@H](C(=O)NNc2cccnn2)CC1=O 265568569 VPBHUBUVCYHXST-VIFPVBQESA-N 279.300 -0.585 50 20 CBGD Cc1ccc(C(=O)NN)cc1S(=O)(=O)N1CCOCC1 270204457 HFZNWORPCWMDDT-UHFFFAOYSA-N 299.352 -0.381 50 20 CBGD CO[C@H](C(=O)NNC(=O)C(=O)NC(C)C)C1CC1 280866874 QYRGJOBSNLENRI-QMMMGPOBSA-N 257.290 -0.917 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)n1 289472816 HOGJYPKBNFJORY-WCABBAIRSA-N 294.311 -0.020 50 20 CBGD O=C1N[C@H](C(=O)NNC(=O)[C@@H]2CCCO2)CS1 294021540 NIAFFXLFPRYUHW-WDSKDSINSA-N 259.287 -0.862 50 20 CBGD C[C@H](NC(=O)c1cccc(B(O)O)c1)[C@@H](C)n1cccn1 584944133 AWDCQSYJKIRWGE-WDEREUQCSA-N 287.128 -0.058 50 20 CBGD C[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CC[S@]1=O 584950959 OEMBEVPZGLMUBE-ZPWHCFADSA-N 299.132 -0.902 50 20 CBGD CC(C)[C@@](C)(O)CNC(=O)c1cccc(B(O)O)c1 584954984 QSMHVLVCOMWFBE-ZDUSSCGKSA-N 265.118 -0.497 50 20 CBGD CN1CC=C(CNC(=O)c2cccc(B(O)O)c2)CC1 584971049 KEFRSWULNISKLK-UHFFFAOYSA-N 274.129 -0.642 50 20 CBGD C[C@H](O)CN(C(=O)c1ccc(B(O)O)cc1)C1CC1 585006951 CHRNKEFMEQPNAQ-VIFPVBQESA-N 263.102 -0.648 50 20 CBGD OB(O)c1ccc(CNCCCOC[C@@H]2CCOC2)cc1 585025358 RTJLNYGQYRQASB-AWEZNQCLSA-N 293.172 -0.101 50 20 CBGD CC(C)[C@@H](NCc1cccc(B(O)O)c1)c1nncn1C 585040173 GTZQSDQZPDWBLJ-CYBMUJFWSA-N 288.160 -0.018 50 20 CBGD O=C1C[C@@H](NCc2ccc(B(O)O)cc2)[C@@H]2CCCCN12 585041446 CSVOWVNLSBJSIL-KGLIPLIRSA-N 288.156 -0.391 50 20 CBGD Cc1ccc(Cl)cc1S(=O)(=O)NCB(O)O 585053683 BORCVIITLVXXAM-UHFFFAOYSA-N 263.511 -0.061 50 20 CBGD O=S(=O)(NCB(O)O)c1cc(Cl)cnc1Cl 585057792 ZZDOJBMKJSZKQJ-UHFFFAOYSA-N 284.917 -0.321 50 20 CBGD Cc1cc(C)n(CC(=O)N2CC[C@@H](B(O)O)C2)n1 585068577 BZWAVKUICCGHJH-SNVBAGLBSA-N 251.095 -0.425 50 20 CBGD O=C(NNC(=O)c1cnn[nH]1)c1ccc2nn[nH]c2c1 729456648 YSHPKNKCFAGRIS-UHFFFAOYSA-N 272.228 -0.849 50 20 CBGD CN1CCN(C)[C@@H](CNC(=O)NNc2ncccn2)C1 732474345 AXSDNULEOBUBKE-JTQLQIEISA-N 279.348 -0.652 50 20 CBGD CC(C)[C@@H](C)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 733138110 DJNJMKGWBIBILY-RKDXNWHRSA-N 291.373 -0.204 50 20 CBGD CCCCNC(=O)NNC(=O)CCn1cc[nH]c(=O)c1=O 733138275 DNHREMIGHSKQHY-UHFFFAOYSA-N 297.315 -0.943 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@@H]1CCCO1 733952227 ZEXHHKPXLPOWSJ-UWVGGRQHSA-N 289.332 -0.453 50 20 CBGD O=C(NNC(=O)c1ccoc1)C(=O)N1CCCC1 748246586 CVWBYZCONAADIX-UHFFFAOYSA-N 251.242 -0.337 50 20 CBGD O=C(NNc1ncccc1[N+](=O)[O-])[C@@H]1COCCO1 759301872 GCPVNHKSPFIZNQ-QMMMGPOBSA-N 268.229 -0.152 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1F 764428604 HYHSTGRVCCKGKF-UHFFFAOYSA-N 269.232 -0.788 50 20 CBGD CN(CC(=O)NNc1nc2ccccc2[nH]1)S(C)(=O)=O 768491540 ACPQMTROJKXPGV-UHFFFAOYSA-N 297.340 -0.103 50 20 CBGD C[C@H]1CN(C)[C@H](C)CN1CC(=O)NNC(=O)C1CC1 768765070 REGVJURTLKEVQT-ZJUUUORDSA-N 268.361 -0.432 50 20 CBGD O=C(NNC(=O)[C@H]1Cc2ccc(F)cc21)C(=O)NC1CC1 792852666 GCIFWXYXLNYPFV-NSHDSACASA-N 291.282 -0.109 50 20 CBGD CCN1CCN(CC(=O)NNC(=O)C2CC2)[C@@H](C)C1 796320704 CGBXHRCUNLHFTF-JTQLQIEISA-N 268.361 -0.430 50 20 CBGD CCCN1C[C@@H](C(=O)NNC(=O)N(C)C)CC1=O 840298168 HRRNQMGPESDDOO-QMMMGPOBSA-N 256.306 -0.453 50 20 CBGD O=C(CN1CC[C@H]2NCC[C@H]2C1)NNC(=O)C1CC1 843388284 YLRHSZIBKKBLCL-WDEREUQCSA-N 266.345 -0.772 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCCn2nccc21 853302980 HSLUHQHCYYYWAE-QMMMGPOBSA-N 299.356 -0.565 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CCc2c[nH]nc2C1 854924115 DMMZINHQXFPWJO-SSDOTTSWSA-N 267.358 -0.018 50 20 CBGD C[C@H](CC(N)=O)C(=O)NNC(=S)NCC1CCC1 855090073 OOWXLWLHKPYVLG-SSDOTTSWSA-N 272.374 -0.207 50 20 CBGD C=CC[C@@H](CC)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858422542 VHFJELPCKVSCOI-RKDXNWHRSA-N 268.317 -0.050 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@H]2CCCSC2)N1 858696566 LTQBMCNQJKNPDT-YUMQZZPRSA-N 286.357 -0.509 50 20 CBGD O=C(NC[C@@H]1COCCN1)NNc1ncc(F)cc1F 861687599 UQPLHIUPENTWNG-MRVPVSSYSA-N 287.270 -0.026 50 20 CBGD CC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)c1ncccn1 862005805 JOFMQZCZUQANNW-SNVBAGLBSA-N 293.327 -0.212 50 20 CBGD CC(=O)CC1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCC1 862459587 WFTWGLNDWPSPFS-SECBINFHSA-N 281.312 -0.438 50 20 CBGD CCC(CC)(CO)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862462160 VCMWXTFSZRWFCZ-MRVPVSSYSA-N 271.317 -0.789 50 20 CBGD CC(C)c1cc(C(=O)NNC(=O)CS(C)(=O)=O)no1 863464084 GKCDJZKOWBVMAF-UHFFFAOYSA-N 289.313 -0.396 50 20 CBGD C[C@H](C(=O)NNC(=O)CS(C)(=O)=O)C(C)(F)F 863466025 OIXSVCIUQASBAW-RXMQYKEDSA-N 272.273 -0.530 50 20 CBGD CC[C@@](C)(NC(=O)c1cccc(B(O)O)c1)C(=O)OC 863872461 SIXXMDDROYJQFZ-CYBMUJFWSA-N 279.101 -0.562 50 20 CBGD CC(C)(CO)CNC(=O)c1cccc(B(O)O)c1 866819871 MHWCSUFOGFRHPZ-UHFFFAOYSA-N 251.091 -0.885 50 20 CBGD O=C(/C=C/CN1CCOCC1)NNC(=O)c1ncccn1 868894601 SFSIDHDARLWVFK-HNQUOIGGSA-N 291.311 -0.874 50 20 CBGD CN1CCCC[C@H](C(=O)NNC(=O)NC2CC2)C1=O 874194289 VVPKTPCUDVVVCN-SECBINFHSA-N 268.317 -0.262 50 20 CBGD COc1nn(C)cc1C(=O)NNC(=O)c1cccn1C 883956021 UYKPDHLZPZPBGS-UHFFFAOYSA-N 277.284 -0.158 50 20 CBGD O=C(NC[C@H]1CCCO1)NNC(=O)[C@H]1CCOC1 921207993 ATTOIPYGOKKFEV-DTWKUNHWSA-N 257.290 -0.468 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@@H]2CCN(C)C[C@@H]2C1 931438175 OYZRHUOPYGUCSG-GRYCIOLGSA-N 282.388 -0.184 50 20 CBGD Cc1nn2c(C=NNC(=O)C(N)=O)c(C)nc2s1 1116422109 LJTJEYFYBVKBPK-UHFFFAOYSA-N 266.286 -0.657 50 20 CBGD CCc1cc(NC(=O)NNC(=O)CCO)n(C)n1 1116595750 BTJUKRYCMKHCIA-UHFFFAOYSA-N 255.278 -0.482 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc2c(C)nn(C)c2c1 1117698992 CJSROTJZRZNDKQ-UHFFFAOYSA-N 289.295 -0.012 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cccc(C[S@](C)=O)c1 1251834359 ZEQXAMWBFDVFDT-FQEVSTJZSA-N 297.380 -0.112 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@@H]1CCOC1 1252560915 ZECLPLZUCJVBDF-UWVGGRQHSA-N 289.332 -0.595 50 20 CBGD CN(C)N(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCS(=O)(=O)C1 1261222698 UCKQCQOWBVBTGX-SNVBAGLBSA-N 296.352 -0.008 50 20 CBGD CNC[C@H](C)NC(=O)NNC(=O)N=c1cc[nH]cc1 1327471540 JQVZHHCORMSJPW-QMMMGPOBSA-N 266.305 -0.553 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)CO1 1328798632 FTBASLSUYLGDCR-HTRCEHHLSA-N 253.262 -0.469 50 20 CBGD CN(NC(=O)c1ccc2c(c1)NC(=O)CNC2=O)C(N)=O 1330399260 XDRXIHXCJHQGSO-UHFFFAOYSA-N 291.267 -0.976 50 20 CBGD Cn1ccnc(NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)c1=O 1335551541 GDBUZQVDWMTEEQ-BWVDBABLSA-N 262.269 -0.552 50 20 CBGD CCc1cccc(NC(=O)C(=O)NNC(=O)C(=O)OC)c1 1338693752 OIJKPUWFDALOJF-UHFFFAOYSA-N 293.279 -0.492 50 20 CBGD COc1nccnc1NNC(=O)CN1C(=O)CCC1=O 1521430829 VULWLIUEQTZLGT-UHFFFAOYSA-N 279.256 -0.923 50 20 CBGD CCCc1noc(CCCC(=O)NNC(=O)CN)n1 1577614619 WSGSKBAUQUDNIF-UHFFFAOYSA-N 269.305 -0.549 50 20 CBGD COC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1591276021 XQPOAXVRCURRPZ-UHFFFAOYSA-N 262.229 -0.133 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNC(=O)c1cccc(C)n1 1593911881 RXQMBXHETKAMNT-QMMMGPOBSA-N 267.241 -0.749 50 20 CBGD Cn1nncc1NNC(=O)[C@@H]1CO[C@@H](CCC(=O)O)C1 1594598733 ZECIZFFYJPJOOI-YUMQZZPRSA-N 283.288 -0.472 50 20 CBGD CCO/C=C(\C#N)C(=O)NC1(C(=O)O)CC(CO)C1 1596861652 FIQAQNPPAVGXMT-VQHVLOKHSA-N 268.269 -0.228 50 20 CBGD COC(=O)NNS(=O)(=O)c1ccc(O)c(C(=O)O)c1 1598884425 YWWGJLVNGOAMJH-UHFFFAOYSA-N 290.253 -0.360 50 20 CBGD Cc1c(C(=O)O)cc(C=NNC(=O)[C@@H]2COCCO2)n1C 1599984460 LTDRNVUDOLSHGX-NSHDSACASA-N 295.295 -0.103 50 20 CBGD O=C(O)c1coc(C(=O)NNC(=O)c2ncccn2)c1 1602550836 SFFJPZALKIQRFK-UHFFFAOYSA-N 276.208 -0.157 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=S)NCCCC(=O)O 1609880066 VHHLFDWJPZFVKL-SFYZADRCSA-N 289.357 -0.229 50 20 CBGD CC(=O)NNC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 36773392 DSSAZNFOBPZYCX-UHFFFAOYSA-N 285.325 -0.268 50 20 CBGD Cn1nnnc1SCCC(=O)NNC(=O)NC1CC1 49144788 ZWAKYQCHCRIRJF-UHFFFAOYSA-N 285.333 -0.815 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1Cc2ccccc2C(=O)O1 56376725 CQNHYQWTAQQTPS-VIFPVBQESA-N 263.253 -0.272 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cccc(C(N)=O)c1 113425562 KBESNTSALJWPSW-UHFFFAOYSA-N 264.285 -0.892 50 20 CBGD COCCC(=O)NNC(=O)Cn1nc(C)cc1C 171352006 XMMWSJRUYHBRIF-UHFFFAOYSA-N 254.290 -0.316 50 20 CBGD COCCN(C)CCNC(=O)NNc1nccc(OC)n1 263727252 FINMEPQGERBRFG-UHFFFAOYSA-N 298.347 -0.311 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H]1C=CCC1 264131524 MSFRMPMKJNSOAI-BDAKNGLRSA-N 289.357 -0.572 50 20 CBGD NC(=O)c1ccc(NNC(=O)COC2CCCC2)nn1 268107330 CAMHJXZFRCYEBY-UHFFFAOYSA-N 279.300 -0.022 50 20 CBGD COC(=O)N(C)CC(=O)NNC(=O)c1cc(C)n[nH]1 269070347 SSKSSLSJCKEJBV-UHFFFAOYSA-N 269.261 -0.823 50 20 CBGD CCCn1cc(C(=O)NNC(=O)C(C)(C)O)cn1 276237120 KKIVMRYTGHWQOO-UHFFFAOYSA-N 254.290 -0.175 50 20 CBGD C=CCNC(=S)NNC(=O)CS(=O)(=O)CC(C)C 281080301 FWWMHLMRGFJUCH-UHFFFAOYSA-N 293.414 -0.262 50 20 CBGD C[C@H](O)CN(CCO)CC(=O)NNC(=O)c1ccccc1 289864929 QNRAJMWLFXOJNX-NSHDSACASA-N 295.339 -0.877 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCO1)c1cncc(O)c1 294707596 RMXXOSNRGHKLAP-VIFPVBQESA-N 251.242 -0.273 50 20 CBGD O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NNc1cccnn1 365422405 RZXHJFWZSORKNF-WDEREUQCSA-N 292.343 -0.034 50 20 CBGD N#C/C(=C\c1cn(CC(=O)O)nn1)C(=O)N1CCCC1 490783745 UITCETFCZXQSGQ-WEVVVXLNSA-N 275.268 -0.108 50 20 CBGD N#C/C(=C\c1ccc(O)cc1)C(=O)NCC(=O)NCCO 491046835 HNXPPVLKOHTGIL-YRNVUSSQSA-N 289.291 -0.476 50 20 CBGD CN1CCC(C(=O)Nc2cccc(B(O)O)c2)CC1 584912048 KKUDFHDADMJRAH-UHFFFAOYSA-N 262.118 -0.353 50 20 CBGD CC[C@@H](C#N)NC(=O)c1ccc(B(O)O)c(F)c1 584936654 KTERBXZUSDXETG-QMMMGPOBSA-N 250.038 -0.463 50 20 CBGD C[C@@H]1CN(C)C[C@@H]1NC(=O)c1ccc(B(O)O)cc1 584958224 MZUQDXSNYUQYQB-SKDRFNHKSA-N 262.118 -0.954 50 20 CBGD CNC(=O)[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)C(C)C 584965965 WXVDPZMTUCRAOH-LLVKDONJSA-N 296.107 -0.994 50 20 CBGD N#C[C@H]1CSCCN1C(=O)c1cc(B(O)O)ccc1F 584970745 SNAWNDZRURSOER-VIFPVBQESA-N 294.116 -0.413 50 20 CBGD C[C@H](O)[C@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 584971009 JDXGAVULYPMFSG-GXFFZTMASA-N 277.129 -0.258 50 20 CBGD CN(C[C@H]1CCCC[C@@H]1O)C(=O)c1ccc(B(O)O)cc1 584972027 KZDMXOJYZSGCOW-OCCSQVGLSA-N 291.156 -0.011 50 20 CBGD C[C@H]1CC[C@H](O)CN1C(=O)c1cccc(B(O)O)c1 584985920 SHGWIEVJYSHIFA-CABZTGNLSA-N 263.102 -0.648 50 20 CBGD CC[C@@H](NC(=O)c1cc(B(O)O)ccc1F)[C@H](C)O 584997772 JYXGOEVEQMVKIY-WRWORJQWSA-N 269.081 -0.605 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@H]1CCO 584998087 ONQUOOJBOJDGRM-LBPRGKRZSA-N 263.102 -0.647 50 20 CBGD OC[C@@H](NCc1ccc(B(O)O)o1)C1CCCCC1 585027415 SGNBGQDOQNYJHB-GFCCVEGCSA-N 267.134 -0.010 50 20 CBGD C[C@@H](CCO)CCNCc1cccc(B(O)O)c1 585042684 BQSRGNHLAHITKA-LLVKDONJSA-N 251.135 -0.135 50 20 CBGD CC1(C)CCCN1CCNCc1ccc(B(O)O)o1 585044546 MKIYZCYOLGOODP-UHFFFAOYSA-N 266.150 -0.077 50 20 CBGD CCCNC(=O)NNS(=O)(=O)c1ccn(C)n1 727362962 WXQCAWCJXLLOLY-UHFFFAOYSA-N 261.307 -0.677 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cccc(C#N)c1 728435046 UIESJXHLBGSPRW-VIFPVBQESA-N 294.336 -0.054 50 20 CBGD CCCCNC(=O)NNC(=S)NCCS(C)(=O)=O 729154922 HXRCAFIDGGMSJL-UHFFFAOYSA-N 296.418 -0.491 50 20 CBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)c1cccnc1 746812921 JVTYVUHTNFJAOM-QMMMGPOBSA-N 285.325 -0.477 50 20 CBGD Cc1noc(C)c1CC(=O)NNC(=O)C(=O)N1CCCC1 748247123 KZYXATKVIWVNMK-UHFFFAOYSA-N 294.311 -0.396 50 20 CBGD Cc1cccnc1C(=O)NNC(=O)CS(C)(=O)=O 752240759 LTKNSUMOYCEKQW-UHFFFAOYSA-N 271.298 -0.804 50 20 CBGD O=C(CO)NNC(=O)c1ccc(-n2cccc2)nc1 753438035 BKMZHXOIGAAVTL-UHFFFAOYSA-N 260.253 -0.374 50 20 CBGD O=C(NNC(=O)C1=CCCC1)C(=O)N1CCCC1 760471283 WQCZEIMTCYOGJY-UHFFFAOYSA-N 251.286 -0.134 50 20 CBGD CNC(=O)NNC(=O)Cc1ccccc1C(=O)OC 770486975 LXWSSUGDQCKWOC-UHFFFAOYSA-N 265.269 -0.024 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCCO1 771932926 CLSVCMMTOSXSEF-YUMQZZPRSA-N 258.274 -0.346 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CN1CCCCC1=O 771992821 MYISDDVDFDZZQD-SECBINFHSA-N 299.327 -0.512 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)CN1CCOCC1 779157537 JIYWRUDHKFFWAI-UHFFFAOYSA-N 259.306 -0.126 50 20 CBGD COCCOCc1ccc(C(=O)NNC(=O)CO)cc1 812544592 SDTKCZOZGFXZCP-UHFFFAOYSA-N 282.296 -0.397 50 20 CBGD O=C(CCCCN1CCOCC1)NNc1nc[nH]n1 816633631 ICUXMRPNAAJCOD-UHFFFAOYSA-N 268.321 -0.250 50 20 CBGD CO[C@@H](C)CNC(=O)NNC(=O)Cn1nc(C)cc1C 821469071 HJWXNIXLRZVBSO-JTQLQIEISA-N 283.332 -0.135 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1 823377759 XRNTYIHNBAKYEK-LBPRGKRZSA-N 295.343 -0.433 50 20 CBGD Cc1[nH]nc(C(=O)NNC(=O)[C@H]2CCCCO2)c1O 833246777 RHTBIWHLPCJUJA-SSDOTTSWSA-N 268.273 -0.246 50 20 CBGD CC(=O)NNC(=O)CSCC(=O)N1CCCCC1 849133307 PABAYPOMIBFVNU-UHFFFAOYSA-N 273.358 -0.101 50 20 CBGD Cn1cc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c(O)n1 853390159 NNOPKOFACODNJY-MNOVXSKESA-N 293.327 -0.561 50 20 CBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)C(C)C 854213765 BSDDREGYDDEPSG-SSDOTTSWSA-N 265.335 -0.882 50 20 CBGD COCCCNC(=S)N(C)NC(=O)Cn1cncn1 854280148 PTWLENQIVXPWKM-UHFFFAOYSA-N 286.361 -0.848 50 20 CBGD CNC(=S)N(C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 854925850 NMELOKLAJTWEFN-UHFFFAOYSA-N 299.312 -0.776 50 20 CBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)c1cccc(F)n1 856426608 BOQKLDWNZKAWOI-NKWVEPMBSA-N 280.259 -0.507 50 20 CBGD C#CC[C@@H](CCOC)NC(=O)NNC(=O)c1cnn(C)c1 859021691 HIMDQALANRNUIR-NSHDSACASA-N 293.327 -0.208 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cn(C3CC3)nn2)n[nH]1 860480578 RODJSQCRGPEZGQ-UHFFFAOYSA-N 275.272 -0.281 50 20 CBGD O=C(Cc1ccc(F)c(F)c1)NNC(=O)[C@@H]1CCC(=O)N1 862456448 PUAYJCDBYWHNPM-JTQLQIEISA-N 297.261 -0.067 50 20 CBGD CC1(C)[C@]2(C(=O)NNC(=O)CO)CC[C@@]1(C)C(=O)O2 863903602 MVTSEKWIHRTRKN-NWDGAFQWSA-N 270.285 -0.752 50 20 CBGD COCCOCC(=O)NNC(=O)/C=C\C1CCOCC1 869910423 SBJNWXVMSRZCMU-IHWYPQMZSA-N 286.328 -0.220 50 20 CBGD O=C1NCCCN1NS(=O)(=O)CCCCl 882107141 ANLADVVJYJVUKB-UHFFFAOYSA-N 255.727 -0.135 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H]1CC(=O)N(CCOC)C1 887140521 IRYGBYVWMMLFQL-LLVKDONJSA-N 295.339 -0.568 50 20 CBGD O=C(NC/C=C/Cl)NNC(=O)C(=O)N1CCCC1 899055674 PGYWINTYULMPFI-ONEGZZNKSA-N 274.708 -0.308 50 20 CBGD Cc1ccn(C[C@](C)(O)C(=O)NN(C)C[C@H](C)O)c(=O)c1 910151111 ZVWVNOBJRMLCRR-FZMZJTMJSA-N 297.355 -0.748 50 20 CBGD C[C@@H]1NC(=O)[C@@H](C)N(C(=O)c2ccc(B(O)O)cc2)[C@@H]1C 911778860 NBSPFBDUBGSTJW-IVZWLZJFSA-N 290.128 -0.896 50 20 CBGD COc1ccc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 913223825 FRDWWAYHNDVHOU-LLVKDONJSA-N 291.307 -0.336 50 20 CBGD O=C(NNC(=O)c1ncoc1C1CC1)C(=O)N1CCCC1 1117707000 UCZLUXQTGIRCFN-UHFFFAOYSA-N 292.295 -0.065 50 20 CBGD CS(=O)(=O)C1(C(=O)NNC(=O)CC2CC2)CC1 1117735055 PJLVFNWYRNWCBM-UHFFFAOYSA-N 260.315 -0.489 50 20 CBGD Nc1cnnc(NNC(=O)C2(n3cnnn3)CC2)c1Cl 1118749413 SSAXCHKXMKLFES-UHFFFAOYSA-N 295.694 -0.669 50 20 CBGD O=C(NNC(=O)C1CCCC1)C(=O)Nc1ccon1 1320357773 UOSIMNNGRYUJOZ-UHFFFAOYSA-N 266.257 -0.049 50 20 CBGD CCc1ccc(NC(=O)C(=O)NNC(=O)C(=O)OC)cc1 1320711318 QEFRCLILFGABTE-UHFFFAOYSA-N 293.279 -0.492 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccncn1 1320763125 GEZVHVGZMXTKIV-UHFFFAOYSA-N 279.300 -0.458 50 20 CBGD CCc1ccccc1NC(=O)C(=O)NNC(=O)C(=O)OC 1320900211 AJCGKPBPZDXKLX-UHFFFAOYSA-N 293.279 -0.492 50 20 CBGD CC(C)NC(=S)NNC(=O)c1cc(C(N)=O)c[nH]1 1322324392 AMHBLGAHZJCDAP-UHFFFAOYSA-N 269.330 -0.369 50 20 CBGD CC(C)n1cnc(C(=O)NNC(=O)C(=O)N2CCCC2)c1 1325129794 FKPSOIRDUDBVOE-UHFFFAOYSA-N 293.327 -0.153 50 20 CBGD CCn1cc(C(=O)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cn1 1327149005 AFWOSCSWZDTCTD-SCZZXKLOSA-N 294.311 -0.342 50 20 CBGD CCNC(=O)NNC(=O)[C@H](C)n1cnc2c(N)ncnc21 1330233854 KNSWDUVMBMGIQI-LURJTMIESA-N 292.303 -0.680 50 20 CBGD O=C(O)[C@H](CC1CC1)NCc1ccc(B(O)O)cc1 1331932968 VGORDTBWPHUTMF-LBPRGKRZSA-N 263.102 -0.291 50 20 CBGD Cc1nnc2n1C[C@H](C(=O)NN(C)C[C@@H](C)O)CC2 1332148229 KPZXSCGGALLDQY-PSASIEDQSA-N 267.333 -0.507 50 20 CBGD CC(C)OC(=O)C(C)(C)NC(=O)c1ccc(B(O)O)cc1 1335376734 QIYXCNDUPVTUOM-UHFFFAOYSA-N 293.128 -0.174 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCOC(C)(C)C1 1338590931 RYJWDFISOKGOPF-VIFPVBQESA-N 285.344 -0.136 50 20 CBGD Cn1nncc1CNC(=O)NNc1nncc(N)c1Cl 1346890685 PEIMKCHVNZNOQZ-UHFFFAOYSA-N 297.710 -0.333 50 20 CBGD Cc1ccc(NC(=S)NNC(=O)[C@@H](N)CO)c(C)c1 1574156378 FHUGKTFOILRQLG-VIFPVBQESA-N 282.369 -0.059 50 20 CBGD C[C@H](NC(=O)NNC(=O)c1cnsn1)[C@@H](C)N 1576104738 HKYFHSHJCOIRCO-UHNVWZDZSA-N 258.307 -0.782 50 20 CBGD CC[C@@H](NC)C(=O)NNC(=O)Cc1cc(C)[nH]n1 1577172169 NCFOKIIDQXWOMS-SECBINFHSA-N 253.306 -0.594 50 20 CBGD CCN(CCO)NC(=O)c1cc([C@@H]2CCNC2)[nH]n1 1577725815 PVLFCQMGGZKZJP-SECBINFHSA-N 267.333 -0.554 50 20 CBGD CCc1ncoc1C(=O)NNC(=O)[C@@H]1CCCNC1 1578297792 JBMZKIZMTGHQKT-MRVPVSSYSA-N 266.301 -0.002 50 20 CBGD Cc1nnc(NNC(=O)N[C@@H](C)CCCN)n1C 1579912791 PMWHRCMVZFCPFW-ZETCQYMHSA-N 255.326 -0.123 50 20 CBGD O=C(NNC(=O)[C@H]1CCN1)c1cc(F)c(O)c(F)c1 1580733367 SWHRZVIPYZNQNI-MRVPVSSYSA-N 271.223 -0.207 50 20 CBGD CC[C@@H](CNC(=O)c1ccc(B(O)O)cc1)C(=O)O 1595160668 OSAZYQBTKWRQRG-QMMMGPOBSA-N 265.074 -0.793 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccc(C(=O)O)cc2)nn1 1600933199 XIRGIENUTPGNSK-UHFFFAOYSA-N 289.251 -0.412 50 20 CBGD O=C(O)CNC(=O)NN=C1CCCN2CCSC[C@H]12 1602071288 MHKKBPDUMKBVHP-SECBINFHSA-N 286.357 -0.063 50 20 CBGD CC(=O)NNS(=O)(=O)c1cc(F)c(F)c(C(=O)O)c1 1603052107 DLLWNEMZBUTLOU-UHFFFAOYSA-N 294.235 -0.008 50 20 CBGD Cc1c(-c2nn[nH]n2)c(=O)n(C/C=C/C#N)c(=O)n1C 1605463509 ZEVZTXSVAIMANI-ONEGZZNKSA-N 273.256 -0.885 50 20 CBGD O=C(O)Cc1cccc(C(=O)NNC(=O)c2cnn[nH]2)c1 1608783922 DOTQAGHLTFWDKW-UHFFFAOYSA-N 289.251 -0.493 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCN(c2ccccn2)C1 1610699339 UBGVZXSCAPOSHK-MRVPVSSYSA-N 293.283 -0.925 50 20 CBGD O=C(NNC(=O)c1cccc[n+]1[O-])c1ccccn1 47295312 LKSQTKOJYHZOEL-UHFFFAOYSA-N 258.237 -0.210 50 20 CBGD CCNC(=O)NNC(=O)CNC(=O)c1cccs1 65623329 WATKLFGQRSXLIJ-UHFFFAOYSA-N 270.314 -0.172 50 20 CBGD O=C(Cn1cnnn1)NNc1ccccc1[N+](=O)[O-] 101657687 OMFLIVJHMSRGAS-UHFFFAOYSA-N 263.217 -0.275 50 20 CBGD CCN1CCCC[C@@H]1C(=O)NNC(=O)CN(C)C 113424811 LRTKHKKZLIZSSX-SNVBAGLBSA-N 256.350 -0.430 50 20 CBGD CN1C[C@H](C(=O)NNc2cc(Cl)nc(N)n2)CC1=O 133956589 MXAOSOMLVQZLKT-RXMQYKEDSA-N 284.707 -0.366 50 20 CBGD O=C(CO)NNC(=O)c1cccc(-c2ncn[nH]2)c1 182752540 BVEPAJIDIXZETO-UHFFFAOYSA-N 261.241 -0.775 50 20 CBGD COCC(=O)NNC(=O)CNC(=O)c1cccs1 299704117 WNUXICCPYJCBEG-UHFFFAOYSA-N 271.298 -0.728 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CCN(c2ccccc2F)C1 365595117 KZLDGORUNJJGTI-VIFPVBQESA-N 281.287 -0.208 50 20 CBGD CN1C[C@H](C(=O)NN(C)C(N)=O)c2ccccc2C1=O 373263105 DOVNPIAKBFHCAO-JTQLQIEISA-N 276.296 -0.103 50 20 CBGD CC(=O)NNC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1 496279266 XPEQDIZANFQIOP-UHFFFAOYSA-N 273.289 -0.865 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@@H](CO)CC1 584994156 CXPZYPDYQXZAFY-SNVBAGLBSA-N 295.119 -0.260 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@H]2COCC[C@H]2C1 585004767 MTEHZEIFWAMKRE-RYUDHWBXSA-N 275.113 -0.525 50 20 CBGD OC[C@H](CNCc1ccc(B(O)O)o1)CC1CCOCC1 585038936 MXENUEFDMQJLEK-LBPRGKRZSA-N 297.160 -0.526 50 20 CBGD O=C(NCB(O)O)c1cccc(N2CCCC2=O)c1 585061159 QYIOJUUFKHPWQZ-UHFFFAOYSA-N 262.074 -0.445 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCOC1)C(=O)N1CCCC1 727733306 ZIWOZQMURYBILT-SECBINFHSA-N 269.301 -0.817 50 20 CBGD Cc1ccc(C(=O)NNC(=O)C2CC2)cc1S(N)(=O)=O 731496243 GRIOOWHTTUYCTC-UHFFFAOYSA-N 297.336 -0.187 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)Cc2ccccc2F)CC1 731639908 ZOYSNRYABAVASJ-UHFFFAOYSA-N 279.271 -0.219 50 20 CBGD CS(=O)(=O)N1CCC(=NNC(=O)C2CC2)CC1 747625715 NUXWJRKFTYTIJM-UHFFFAOYSA-N 259.331 -0.076 50 20 CBGD CNS(=O)(=O)CC(=O)NNC(=O)c1ccccc1F 751459405 YETWCIBDWBUOQF-UHFFFAOYSA-N 289.288 -0.864 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2CCNC(=O)C2)n1 760700539 HCEGEDYRXTXHCS-MRVPVSSYSA-N 279.300 -0.237 50 20 CBGD C[C@@H](C(=O)NNc1ncc(F)cn1)N1CCN(C)CC1 760914238 JKORDSXDAHRMML-VIFPVBQESA-N 282.323 -0.305 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccnc(C)n1 772031646 KROAZLCVDCBFQY-ZETCQYMHSA-N 280.284 -0.112 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)c2ccc(Cl)nc2)C1=O 772211037 DQXCSPMGRBCGSO-QMMMGPOBSA-N 296.714 -0.026 50 20 CBGD COc1ccnc(NNC(=O)Nc2nccn(C)c2=O)n1 775715659 URDMHCLAZDHTAI-UHFFFAOYSA-N 291.271 -0.273 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccnn1C 775752205 RRUMHJDPDDQBKE-QMMMGPOBSA-N 285.304 -0.376 50 20 CBGD COC(C)(C)CC(=O)NNc1ccc(C(N)=O)nn1 787899228 CXDMDQWINSCZLM-UHFFFAOYSA-N 267.289 -0.166 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@H](O)c1cccnc1 802028176 MPFMKTIVJBDNNP-LLVKDONJSA-N 287.279 -0.215 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)N=c1cc[nH]cc1 802031559 JJKFQMPSRLDXFW-MRVPVSSYSA-N 279.300 -0.429 50 20 CBGD CN(NC(=O)c1cnc2[nH]c(O)nc2c1)C(N)=O 809742880 HIKLLXXBPCLIMC-UHFFFAOYSA-N 250.218 -0.681 50 20 CBGD COc1cccc2c(C(=O)NNC(=O)CO)n[nH]c12 809749772 RGXCPSYNOGPAST-UHFFFAOYSA-N 264.241 -0.675 50 20 CBGD O=C(NNC(=O)C(=O)N1CCCC1)NOC/C=C\Cl 812706288 NHLBMKJVVNOQST-ARJAWSKDSA-N 290.707 -0.377 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cn(-c2cccnc2)nn1 823917614 LGIJHFDLBGFHDK-SECBINFHSA-N 276.300 -0.380 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CCc2cncn2C1 824627806 XJHQPFIEBUDMIL-MRVPVSSYSA-N 251.290 -0.252 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)COc1ccccc1O 826774549 WCYQELSZFOWYPE-NSHDSACASA-N 298.295 -0.420 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 827588576 VUEZHWLTCVKRFC-KHUJYXKRSA-N 286.353 -0.530 50 20 CBGD CNc1nnc(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)s1 843970530 HOWQNPWTIRFALG-BQBZGAKWSA-N 299.356 -0.305 50 20 CBGD CNC(=O)CCCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843974236 BWSASWMQJUMKLZ-BDAKNGLRSA-N 271.317 -0.525 50 20 CBGD CN1CCN(C(=O)NNC(=O)CCc2ccon2)CC1 854382667 IEZBGWRTXGVHAL-UHFFFAOYSA-N 281.316 -0.405 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)c1cn[nH]c1)N(C)C 858517277 DYAJORODTAMWMR-ZETCQYMHSA-N 254.294 -0.696 50 20 CBGD C[C@H](C(=O)NNc1ncc(F)cn1)[C@H]1CCC(=O)N1 860463367 SRTDQVUXBREKLT-POYBYMJQSA-N 267.264 -0.027 50 20 CBGD CCN1CCCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862453825 ZKICKKZNAMRYOW-VHSXEESVSA-N 282.344 -0.713 50 20 CBGD COCC1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCC1 862461691 MHIUHPDRMLGELA-MRVPVSSYSA-N 269.301 -0.771 50 20 CBGD CCOC(=O)N[C@H](C(=O)N1CC[C@H](B(O)O)C1)C(C)C 864234584 SZNPLYJDAVUTID-UWVGGRQHSA-N 286.137 -0.168 50 20 CBGD CC[C@@H](C(=O)NNC(=O)COCCOC)N(C)C 869908414 MQASYNILVUOTKS-VIFPVBQESA-N 261.322 -0.863 50 20 CBGD CC(C)[C@@H](C(=O)NNC(=O)c1cccnn1)N(C)C 882058267 MVSBTWDPZNMECM-JTQLQIEISA-N 265.317 -0.176 50 20 CBGD Cc1nn(CC(F)F)cc1C(=O)NNC(=O)CO 897605675 HDNDKVUGEPDMGN-UHFFFAOYSA-N 262.216 -0.790 50 20 CBGD C[C@H](O)CN(C)NC(=O)CCOC[C@H]1CCCO1 910170258 ISLXDRCABLTPFJ-WDEREUQCSA-N 260.334 -0.084 50 20 CBGD O=C(CCCn1cccn1)NNC(=O)CN1CCCC1=O 913730961 OSJNOPLPQVOWKW-UHFFFAOYSA-N 293.327 -0.567 50 20 CBGD COc1ccc(C(=O)NNC(=O)c2cnn[nH]2)cc1OC 918277640 GXAFPRYADCNLHB-UHFFFAOYSA-N 291.267 -0.103 50 20 CBGD Cc1nnc(NNC(=O)[C@H](C)OC[C@H]2CCCO2)nc1O 921074631 VEJLRLKPIVPCJN-DTWKUNHWSA-N 297.315 -0.087 50 20 CBGD CC[C@@H](CO)NCC(=O)NNC(=O)c1ccc(F)cc1 921206747 CVXGJFIVJKJOCR-NSHDSACASA-N 283.303 -0.053 50 20 CBGD O=C(C[C@H]1CCCOC1)NNC(=O)C(=O)NC1CC1 1116890392 WSAPBVXHOJSAIM-MRVPVSSYSA-N 269.301 -0.771 50 20 CBGD Cn1cc(C(=O)NNc2ccccc2S(N)(=O)=O)cn1 1256184568 NZXUQPGKXONGJD-UHFFFAOYSA-N 295.324 -0.176 50 20 CBGD Cn1ccnc(NNC(=O)c2cscn2)c1=O 1319352784 IPFQMUOSYYQPFD-UHFFFAOYSA-N 251.271 -0.006 50 20 CBGD O=C(NNc1ncc(F)cn1)[C@H]1CCS(=O)(=O)C1 1319551363 AMCUPDWYBXRFFU-LURJTMIESA-N 274.277 -0.507 50 20 CBGD O=C(NNC(=O)C1CCC1)N[C@H]1CCCS(=O)(=O)C1 1320143753 YGPVNHWNQNPJPW-VIFPVBQESA-N 289.357 -0.306 50 20 CBGD COc1ccc(C(=O)NNC(=O)CN(C)C(C)=O)cc1 1321605004 FSHYOGIROMFAKG-UHFFFAOYSA-N 279.296 -0.066 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H](C)[C@@H]1CCCOC1 1323606344 XKXCKYXNKDVCEO-HTQZYQBOSA-N 273.289 -0.695 50 20 CBGD O=C(NNC(=O)N1CC[C@@]2(CCOC2)C1)c1cn[nH]c1 1331312724 MUKGFSJRMXJCCH-GFCCVEGCSA-N 279.300 -0.124 50 20 CBGD C[C@H](CO)N(C)NC(=O)Cn1cc(C2CC2)nn1 1336011084 NWCISKPHTBGOSK-MRVPVSSYSA-N 253.306 -0.501 50 20 CBGD CCCNC(=O)[C@H](C)NC(=O)c1cc(B(O)O)ccc1F 1336198367 HIVUBUYYMKOMKQ-QMMMGPOBSA-N 296.107 -0.850 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC2(C(F)(F)F)CC2)N1 1342162872 OVHZSNNFEJSYEC-RXMQYKEDSA-N 294.233 -0.310 50 20 CBGD COc1nccnc1NNC(=O)C(=O)Nc1cccnc1 1342653116 JIXBTWBIALMCAO-UHFFFAOYSA-N 288.267 -0.038 50 20 CBGD Cc1ncc2n1CC[C@@H](C(=O)NN(C)C(N)=O)C2 1343534075 JOWIVOPKDVIBSW-MRVPVSSYSA-N 251.290 -0.204 50 20 CBGD CC(C)[C@H](CO)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1343607804 BJJVPRLKSIYSQD-BBBLOLIVSA-N 273.333 -0.241 50 20 CBGD Cn1nncc1CNC(=O)NNC(=O)CC(F)(F)F 1346640551 PIQVLEQBYPLBFN-UHFFFAOYSA-N 280.210 -0.402 50 20 CBGD COC/C(C)=C/C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1349499764 ZYFOQXBRBXDYIN-QRJSTWQJSA-N 290.341 -0.839 50 20 CBGD CO[C@H]1CN[C@](C)(C(=O)NNC(=O)Cc2ccccn2)C1 1573961882 VOVLZGSZERZOPN-RISCZKNCSA-N 292.339 -0.462 50 20 CBGD N[C@@H](C(=O)NNC(=O)c1cc[nH]n1)c1ccccc1 1574262606 NPHDJIJEFUWOJM-SNVBAGLBSA-N 259.269 -0.129 50 20 CBGD CCC[C@H](C)N1C[C@@H](C(=O)NNC(=O)CCCN)CC1=O 1577344532 DNSJILQEIWWECE-QWRGUYRKSA-N 298.387 -0.090 50 20 CBGD O=C(NNC(=O)[C@@H]1NCC[C@H]2CCCC[C@@H]21)c1ncon1 1580736596 YZDMPIZSYMYZAI-KXUCPTDWSA-N 293.327 -0.001 50 20 CBGD CCN(CC)c1ccnc(NNC(=O)[C@H](OC)C(=O)O)n1 1589728810 QLAFRIPZPRCGNF-VIFPVBQESA-N 297.315 -0.135 50 20 CBGD CC(C)C[C@@H]1C[C@H](NC(=O)NNC(=O)C(=O)O)CCO1 1591206839 ZEAJZJZOFJDJTC-RKDXNWHRSA-N 287.316 -0.005 50 20 CBGD COC(=O)NNC(=O)c1csc(-c2nn[nH]n2)c1 1591275637 QNLPWPYIJIEKPF-UHFFFAOYSA-N 268.258 -0.071 50 20 CBGD CNC(=O)NNC(=O)C1(CC(=O)O)CCOCC1 1593793582 UQHHMJPXEAGKAJ-UHFFFAOYSA-N 259.262 -0.782 50 20 CBGD O=C(NNC(=O)c1cc(C(=O)O)on1)c1cccnn1 1601554800 IBEHHUAWIADLTG-UHFFFAOYSA-N 277.196 -0.762 50 20 CBGD O=C(O)CCCCC(=O)NNC(=O)N1CCOCC1 1601982391 ZBFHTWAIIFTADE-UHFFFAOYSA-N 273.289 -0.296 50 20 CBGD O=C(O)Cc1sccc1C(=O)NNC(=O)c1cnn[nH]1 1602157905 DJQMSKKVDJJSKC-UHFFFAOYSA-N 295.280 -0.432 50 20 CBGD COc1cccc(NNC(=O)[C@@H]2CC(C(=O)O)=NO2)n1 1604871142 LAOUCGPIKWVJBK-ZETCQYMHSA-N 280.240 -0.237 50 20 CBGD O=C(O)CC1CC(=NNC(=O)[C@H]2COCCO2)C1 1610762094 SYMFZGJJSDRIRF-NHSZFOGYSA-N 256.258 -0.241 50 20 CBGD COC(=O)NNC(=O)Nc1ccc(OCC(N)=O)cc1 45700242 FDLXTLSNPAZWOK-UHFFFAOYSA-N 282.256 -0.057 50 20 CBGD CCNC(=O)NNC(=O)CN(C)c1ncnc2nc[nH]c12 139167689 RFEJVGXKKLVZOO-UHFFFAOYSA-N 292.303 -0.861 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1OCCc2ccccc21 182770568 HIVYYMMFDRMKNM-LLVKDONJSA-N 250.254 -0.560 50 20 CBGD Cc1ccn(CC(=O)NNC(=O)c2ccc[nH]2)c(=O)c1 194370864 HVCFUMGJKXVJDK-UHFFFAOYSA-N 274.280 -0.054 50 20 CBGD CCCc1nnc(S)n1CC(=O)NN(C)C(N)=O 272190338 NIWANFLRVYVKLX-UHFFFAOYSA-N 272.334 -0.439 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2COCCO2)cc1O 272622559 JAYVBKXFBSGHKM-NSHDSACASA-N 280.280 -0.123 50 20 CBGD CC(C)(C)[C@@H](Br)C(=O)NC(C(N)=O)C(N)=O 274357847 YPUJDEBUBNIIQO-YFKPBYRVSA-N 294.149 -0.749 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCc2c[nH]cn2)[nH]n1 281127395 IPPFTRIFHQYTHM-UHFFFAOYSA-N 262.273 -0.165 50 20 CBGD O=S(=O)(CBr)N1CC[C@H](O)[C@@H](CO)C1 306777323 NBBKNEVWQHDQND-RQJHMYQMSA-N 288.163 -0.656 50 20 CBGD COC(=O)NCC(=O)NNc1nc(-c2ccncc2)no1 371538572 NXMCIPMOTQIWRZ-UHFFFAOYSA-N 292.255 -0.069 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNS(C)(=O)=O 494726400 NKWYFJYANJOBDE-UHFFFAOYSA-N 267.307 -0.909 50 20 CBGD CCC(=O)N[C@H](C)C(=O)Nc1cccc(B(O)O)c1 584910276 OFMSBNOGCDQUBH-MRVPVSSYSA-N 264.090 -0.780 50 20 CBGD Cn1cc(C(C)(C)NC(=O)c2ccc(B(O)O)cc2)cn1 584952392 UTPCPNUNSSBLPO-UHFFFAOYSA-N 287.128 -0.235 50 20 CBGD COCC1(NC(=O)c2cc(B(O)O)ccc2F)CC1 584962086 AOAQZENFWJPQSB-UHFFFAOYSA-N 267.065 -0.586 50 20 CBGD COCC[C@@H]1COCCN1C(=O)c1cccc(B(O)O)c1 584992047 JYNLQNJXFNBAQT-CYBMUJFWSA-N 293.128 -0.756 50 20 CBGD C[C@H]1[C@H](CO)CCCN1C(=O)c1ccc(B(O)O)cc1 584999634 GOAIYRNYZFZHRL-JQWIXIFHSA-N 277.129 -0.401 50 20 CBGD O=C(N[C@H]1COC2(CCC2)C1)c1ccc(B(O)O)c(F)c1 585007107 JTPDYVVDWUMZII-SNVBAGLBSA-N 293.103 -0.053 50 20 CBGD C[C@@H](CO[C@H]1CCOC1)NCc1cccc(B(O)O)c1 585029510 AIDBACKXLNUJQP-FZMZJTMJSA-N 279.145 -0.350 50 20 CBGD C[C@H](CCS(C)(=O)=O)NCc1cccc(B(O)O)c1 585031693 XHSIEPZTEMMXHU-SNVBAGLBSA-N 285.174 -0.721 50 20 CBGD COC[C@](C)(O)c1nc(-c2ccc(B(O)O)cc2)no1 585055332 WZWDSZHPFSWISU-LBPRGKRZSA-N 278.073 -0.730 50 20 CBGD Cn1cccc1S(=O)(=O)N1CC[C@@H](B(O)O)C1 585055531 AQBDMYNIILBMSS-MRVPVSSYSA-N 258.108 -0.738 50 20 CBGD Cc1c(C(=O)NCB(O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 585059475 OYTOPNIQFIVBJJ-UHFFFAOYSA-N 283.005 -0.447 50 20 CBGD COc1ccc(C(=O)CCC(=O)NCB(O)O)cc1F 585060964 MLVMHXISICWOCH-UHFFFAOYSA-N 283.064 -0.075 50 20 CBGD CC[C@H](C(=O)N1CC[C@H](B(O)O)C1)N1CCCC1=O 585070920 IGRAQBBXHOIIKR-VHSXEESVSA-N 268.122 -0.537 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cc(C(N)=O)cs1 732083347 RQSGQASRGFCJDI-UHFFFAOYSA-N 293.308 -0.047 50 20 CBGD CCCCNC(=O)NNC(=O)c1nccnc1N 734126439 XJFDWBTVVAQETG-UHFFFAOYSA-N 252.278 -0.197 50 20 CBGD O=C(COC1CCOCC1)NNC(=O)c1ccc[nH]1 735269130 CZYUCDYLTQVEFZ-UHFFFAOYSA-N 267.285 -0.029 50 20 CBGD N=C1NC(=O)[C@@H](CC(=O)NNC(=O)C2CCC2)S1 742664407 LEXJIMINRCPUOT-ZCFIWIBFSA-N 270.314 -0.510 50 20 CBGD CC(C)CO[C@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 748239897 LTOAFJNPGHNSJI-SNVBAGLBSA-N 285.344 -0.183 50 20 CBGD CC(C)CONC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 750460899 OWAGQYQRLCVRTF-JTQLQIEISA-N 279.362 -0.045 50 20 CBGD CC(C)OCCNC(=O)NNC(=O)C(=O)NC1CC1 758717691 HENVRGIONLCOCY-UHFFFAOYSA-N 272.305 -0.980 50 20 CBGD CNc1nnc(CC(=O)NNC(=O)c2c[nH]nc2C)s1 759846577 QDPAWSASFUOYHC-UHFFFAOYSA-N 295.328 -0.385 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CC1(C)CC1 760814712 AEWVMNDDVVMLRF-ZETCQYMHSA-N 277.346 -0.738 50 20 CBGD C=C(C)COCCNC(=O)NNC(=O)C(=O)NC1CC1 762370664 UOLXAXSQSZMULJ-UHFFFAOYSA-N 284.316 -0.812 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(C#N)cc1 764325535 NZNDFUVKDDDANW-UHFFFAOYSA-N 290.279 -0.319 50 20 CBGD N#Cc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)CO)c1 764421581 NMZVCMXSCLDRFS-UHFFFAOYSA-N 296.670 -0.710 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@H](C)OC 772065432 RLYXIYZNJXXNNL-JGVFFNPUSA-N 260.290 -0.100 50 20 CBGD CNS(=O)(=O)c1cccc(C(C)=NNC(=O)CO)c1 776780645 WPSBLGWGVROMOC-UHFFFAOYSA-N 285.325 -0.573 50 20 CBGD CS(=O)(=O)NCCC(=O)NNc1ncncc1Cl 781825624 NXIWIWNPIJJSRN-UHFFFAOYSA-N 293.736 -0.488 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)SCC(=O)OCCOC 783515538 GNOBFHRGWWMAND-QMMMGPOBSA-N 292.357 -0.145 50 20 CBGD NC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)C2CC2)C1 786681806 BVBBYGZSBZBGET-RKDXNWHRSA-N 253.302 -0.165 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCCN1C1CC1 787570436 OJNKMNMMKFYHPX-VIFPVBQESA-N 255.318 -0.469 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccccc1OCC(N)=O 787948308 BIECVOLAQAAMPO-UHFFFAOYSA-N 295.295 -0.917 50 20 CBGD C/C=C(/CC)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 789743297 GSTBOLSGOAFISF-PTDYZRSTSA-N 289.357 -0.140 50 20 CBGD O=C(CO)NNC(=O)c1[nH]cnc1C(=O)c1ccccc1 807196383 UQTBISWGQPFNTR-UHFFFAOYSA-N 288.263 -0.606 50 20 CBGD CN1CCN(C(=O)NNC(=O)C2=CCCCO2)CC1 807381267 LRTIJAIICUPPJT-UHFFFAOYSA-N 268.317 -0.331 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@@H]1CCCC(=O)N1 808681354 CFSZFTYHXWXIEA-BDAKNGLRSA-N 299.327 -0.466 50 20 CBGD CC[C@@H](CO)N[C@H](C)C(=O)NNC(=O)CC(C)C 816831469 UIBNHUQYLWCKGN-ZJUUUORDSA-N 259.350 -0.071 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNC(=O)CC1CC1 819110293 XWMSANDIFOYBQW-JTQLQIEISA-N 255.318 -0.345 50 20 CBGD C[C@@H](O)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 824677311 CYDADKOSFSCMIG-SCSAIBSYSA-N 283.679 -0.261 50 20 CBGD CN(NC(=O)c1sccc1-c1nn[nH]n1)C(N)=O 826004138 KJCRVVJLQHJXHP-UHFFFAOYSA-N 267.274 -0.417 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H](C)N(C)C 826923520 QOSOINMVYXNVLA-LPEHRKFASA-N 272.349 -0.308 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H]2CCCN2C=O)n1 829483407 YFOBTCIIJOLZLM-VIFPVBQESA-N 279.300 -0.142 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1ncccn1)N1CCSCC1 841350633 PAMYOYMJHIWAGY-VIFPVBQESA-N 295.368 -0.325 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](CN)C[C@@H]1C 843362949 VOIZYFIFMXWGRM-LPEHRKFASA-N 256.350 -0.399 50 20 CBGD COCCN(C)S(=O)(=O)NNC(=O)C1CCC1 844654473 ROAJBQHOVFZDGZ-UHFFFAOYSA-N 265.335 -0.770 50 20 CBGD CC(C)(O)C(=O)NNC(=O)Cn1nnc2c1CCCC2 847856378 MKNSIMKMXCHKPF-UHFFFAOYSA-N 281.316 -0.925 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@@H]1CCC(=O)N1C)C1CC1 855099807 OCCSCOQILIFTLJ-APPZFPTMSA-N 284.385 -0.099 50 20 CBGD O=C(NNC(=O)[C@]1(O)CCOC1)c1cccc(F)n1 856428053 NJGNGHIDCTWGNM-NSHDSACASA-N 269.232 -0.867 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1ncc(Cl)cn1 857355807 OBNPLFLFGHTOJQ-RXMQYKEDSA-N 293.736 -0.489 50 20 CBGD COC1CC(C(=O)NNC(=O)C(=O)Nc2ccccn2)C1 860028660 OIHBALTWGCMQHG-UHFFFAOYSA-N 292.295 -0.408 50 20 CBGD CCO[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 862463327 AQAKTKMMAKSQSL-WPRPVWTQSA-N 269.301 -0.773 50 20 CBGD C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)c1cn[nH]c1 862470967 ZRGZXOXKNRVBCG-LKEWCRSYSA-N 252.274 -0.016 50 20 CBGD C#C[C@H](NCc1ccccc1B(O)O)[C@H]1CCCO1 863890843 FPSSCCLINWHGCR-UONOGXRCSA-N 259.114 -0.363 50 20 CBGD CCC[C@@](C)(O)C(=O)NNC(=O)COCCOC 869908644 SJWSQCJIXKQOEI-LLVKDONJSA-N 262.306 -0.652 50 20 CBGD Cn1nccc1CCNCc1ccccc1B(O)O 877362693 HGESRMXNKYYIDE-UHFFFAOYSA-N 259.118 -0.568 50 20 CBGD Cn1nccc1CCNCc1cccc(B(O)O)c1 877363520 QEEZCTAIRQWDIP-UHFFFAOYSA-N 259.118 -0.568 50 20 CBGD Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=O)c1cn[nH]c1 920437230 OHKYEVIUBMBXHO-UHFFFAOYSA-N 278.228 -0.269 50 20 CBGD COC1(C(=O)NNC(=O)C(=O)Nc2ccccn2)CCC1 1116528856 YMGAJSNVKVBOJT-UHFFFAOYSA-N 292.295 -0.263 50 20 CBGD COC1(C(=O)NNC(=O)c2ccnnc2)CCOCC1 1118058247 JAFPGCFSPRIRKK-UHFFFAOYSA-N 280.284 -0.567 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCCC(N)=O 1118283702 HLIWRIPVWIYNIJ-YUMQZZPRSA-N 257.290 -0.786 50 20 CBGD COCCn1cc(C(=O)NNC(C)=O)c(=O)cc1C 1118291856 VTXNGABXOUGRLQ-UHFFFAOYSA-N 267.285 -0.416 50 20 CBGD O=C(CCc1cncs1)NNC(=O)[C@H]1CCC(=O)N1 1118942479 FDTJAKFUOTXZAQ-MRVPVSSYSA-N 282.325 -0.498 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@H](C)c1nnnn1C 1120795723 BKQNAMZKDLSGDB-UQBZRGDZSA-N 250.262 -0.169 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CC(F)(F)C1 1254746099 NAKWQESUOKSETO-RXMQYKEDSA-N 299.299 -0.883 50 20 CBGD COC(=O)C(=O)NN[C@@H](C(=O)NC1CC1)c1ccccc1 1319043644 CTVIMQKKJVFWMO-LLVKDONJSA-N 291.307 -0.200 50 20 CBGD O=C(CN1CCC(=O)NC1=O)NNc1ncc(F)cn1 1319775121 YKJRFSNHBWOXCD-UHFFFAOYSA-N 282.235 -0.999 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H]1CCN(C)C1=O 1320366867 JEGUURJQUIAPPE-ZETCQYMHSA-N 258.347 -0.632 50 20 CBGD COc1nccnc1NNC(=O)C[C@H]1C=CS(=O)(=O)C1 1320532357 YYXZUKIHNPHPCK-MRVPVSSYSA-N 298.324 -0.123 50 20 CBGD Cc1cccnc1NNC(=O)CC[C@H]1NC(=O)NC1=O 1320711951 UYJNKBRFWYHMDT-MRVPVSSYSA-N 277.284 -0.179 50 20 CBGD CC(C)C(=O)NNC(=O)CN(C)Cc1cn(C)nn1 1328429634 PXSZPUUGSKIGPC-UHFFFAOYSA-N 268.321 -0.950 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CCCc2nn[nH]c21 1328746408 PCOITDLEQVUECM-ZCFIWIBFSA-N 252.278 -0.473 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)no1 1329645391 XRJQEYNCOVXSIM-LURJTMIESA-N 252.230 -0.977 50 20 CBGD Cc1nc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)cs1 1334889920 BLKNTMGGALZTLC-MRVPVSSYSA-N 297.340 -0.439 50 20 CBGD CCNC(=O)NNC(=O)c1c(C)c(C)nn(C)c1=O 1336474974 KMGBMLRCHITOIC-UHFFFAOYSA-N 267.289 -0.639 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cn(C)c(=O)n1C 1339388934 PPLJHUVDRKYDPB-UHFFFAOYSA-N 255.278 -0.970 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(O)nn1 1346832781 CHSLZYRLEWFMGW-UHFFFAOYSA-N 298.299 -0.268 50 20 CBGD Cn1ncc(Cl)c1C(=O)N1CC[C@H](B(O)O)C1 1348490891 WTFMCBSUGSIPTF-LURJTMIESA-N 257.486 -0.238 50 20 CBGD Cn1cc(C2=NO[C@H](C(=O)NNC(=O)C3CC3)C2)cn1 1356570561 MVEDWJACGUFRDZ-JTQLQIEISA-N 277.284 -0.530 50 20 CBGD N[C@H](CO)C(=O)NNC(=O)Cc1cccc2ccccc12 1574264374 PAIYSPCDIAWNFD-CYBMUJFWSA-N 287.319 -0.151 50 20 CBGD CC(C)C1(C(=O)NNC(=O)[C@@H]2CCCNC2)COC1 1575475120 KKYGQZYRWAPMPW-SNVBAGLBSA-N 269.345 -0.194 50 20 CBGD CCNC(=O)NNC(=O)c1cc(-c2nn[nH]n2)ccn1 1578238195 IATRMEQXRJGFGK-UHFFFAOYSA-N 276.260 -0.774 50 20 CBGD NCC(=O)NNC(=O)c1csc(-c2ncc[nH]2)n1 1580212651 AMFZTPRZLJXFNM-UHFFFAOYSA-N 266.286 -0.747 50 20 CBGD C=C(CCC(=O)O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1588630050 BZJQBCQJNPYCDL-RKDXNWHRSA-N 270.285 -0.020 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CO[C@@H](CCC(=O)O)C1 1588795854 MUNYQQQHWZGOOM-YUMQZZPRSA-N 288.300 -0.825 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1cc[nH]n1 1593163114 KEZRKRYFKJVTSG-UHFFFAOYSA-N 271.244 -0.258 50 20 CBGD OB(O)[C@H]1CCN(c2cccnc2-c2nn[nH]n2)C1 1593498767 TWOYZAQLBXFGCO-ZETCQYMHSA-N 260.066 -0.685 50 20 CBGD COC(=O)N(C)NC(=O)Nc1cc(C(=O)O)n(C)n1 1598876096 RDQSPXQKYCQIAO-UHFFFAOYSA-N 271.233 -0.147 50 20 CBGD O=C(O)[C@@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F 1602173954 HRJSCCFKJFAYBL-JTQLQIEISA-N 281.048 -0.805 50 20 CBGD O=C(O)CNC(=O)NN=C1CCC[S@](=O)CC1 1608754353 ZIUYTCYPNZVVKJ-KRWDZBQOSA-N 261.303 -0.341 50 20 CBGD C[C@@H](O)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841353713 LCRKIFJQOXWLSJ-RKDXNWHRSA-N 290.747 -0.830 50 20 CBGD Cc1ccccc1CC(=O)NNC(=O)Cn1cnc(C#N)n1 151318386 UEVMHBDAWJTAEL-UHFFFAOYSA-N 298.306 -0.152 50 20 CBGD CNC(=O)NCC(=O)NNc1nc(C)cc(OC)n1 270541827 XOJIKSMFQQMJMI-UHFFFAOYSA-N 268.277 -0.834 50 20 CBGD COC(=O)C1(C(=O)NNC(=O)c2cc(C)n[nH]2)CC1 274494769 KQEMWJHLLFGOLN-UHFFFAOYSA-N 266.257 -0.568 50 20 CBGD CC(C)(O)C(=O)NNC(=O)COc1cccnc1 276267051 OBWRIDNPXFBKRX-UHFFFAOYSA-N 253.258 -0.621 50 20 CBGD Cc1cccc(C(=O)NNC(=O)N[C@H]2CC(=O)N(C)C2)n1 280762671 DQBZQRMHKHUATI-VIFPVBQESA-N 291.311 -0.435 50 20 CBGD COc1ccc(S(=O)(=O)NNC(=O)NC(C)C)cn1 285123408 NIOUCFBWLGUTQH-UHFFFAOYSA-N 288.329 -0.009 50 20 CBGD CCc1ocnc1C(=O)NNC(=O)N1CCN(C)CC1 287790145 LKZDUELGISYAQR-UHFFFAOYSA-N 281.316 -0.161 50 20 CBGD COc1ccccc1OCC(=O)NNC(=O)[C@@H](C)O 294356736 MIHXSFAZRXGJDK-MRVPVSSYSA-N 268.269 -0.398 50 20 CBGD COCCCNC(=O)NNC(=O)CN(C)C(=O)OC 299241792 SMTJCWWHHWJYEJ-UHFFFAOYSA-N 276.293 -0.949 50 20 CBGD C[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)n1cccn1 299571653 PMEISNMEWBGFDM-SECBINFHSA-N 279.300 -0.786 50 20 CBGD CCO/C=C(/C#N)C(=O)NCC(=O)NCCOC 490755962 XVEAONKTGITPHT-HJWRWDBZSA-N 255.274 -0.691 50 20 CBGD COCCN(CCC#N)C(=O)c1ccc(B(O)O)c(F)c1 584944310 RBAVNMHKPZYFSO-UHFFFAOYSA-N 294.091 -0.492 50 20 CBGD CO[C@H]1C[C@H](NC(=O)c2ccc(B(O)O)cc2)C1(C)C 584958642 VMYBNNDQZOQPMP-RYUDHWBXSA-N 277.129 -0.090 50 20 CBGD O=C(NCCC1(O)CCOCC1)c1ccc(B(O)O)cc1 584988105 DOMRMXRYCNIVCJ-UHFFFAOYSA-N 293.128 -0.972 50 20 CBGD CC[C@@H](CO)N(C)C(=O)c1ccc(B(O)O)c(F)c1 584994808 OBWJXUQJGRWSRB-VIFPVBQESA-N 269.081 -0.652 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@@H](C)N1C 584995501 VNCINABAYFAZOZ-PHIMTYICSA-N 276.145 -0.469 50 20 CBGD CCn1cc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cn1 585057431 DQXABEZLGUODAZ-MRVPVSSYSA-N 273.123 -0.860 50 20 CBGD CCN(C)[C@H](C(=O)NCB(O)O)c1ccccc1 585059756 AUXVFRYJBCWMJN-NSHDSACASA-N 250.107 -0.192 50 20 CBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)c1cnn[nH]1 729456885 MUUVLSWEVCRAQD-UHFFFAOYSA-N 296.331 -0.492 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=O)c1cccc(N(C)C)c1 754958870 SDFMQCXMOUJEPS-AWEZNQCLSA-N 295.339 -0.089 50 20 CBGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccnn1C 766011251 DMMYJQDYFIMLKC-SECBINFHSA-N 299.356 -0.370 50 20 CBGD O=C(NCCNC(=O)c1cc[nH]n1)NNc1ncccn1 780880135 XNUFECFTIZPSSO-UHFFFAOYSA-N 290.287 -0.744 50 20 CBGD CC(C)[C@@H](F)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 784032471 JPGXSGBDOZKIMY-HTQZYQBOSA-N 280.321 -0.437 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C)ncn1 786106503 DTEHNNIKSIYCRX-MRVPVSSYSA-N 280.284 -0.112 50 20 CBGD NC(=O)C(=O)NN=CC[C@H]1CCCCC12OCCO2 788698076 NKWGMOULOAOMDQ-SECBINFHSA-N 269.301 -0.103 50 20 CBGD O=C(CN1CCOC[C@H]1[C@H]1CCCO1)NNC(=O)C1CC1 796346671 RNNRBBUBLGTLDG-NWDGAFQWSA-N 297.355 -0.576 50 20 CBGD COCCC(COC)=NNC(=O)[C@@H](C)NS(C)(=O)=O 812225699 NFRVNDQRJVBZFF-MRVPVSSYSA-N 295.361 -0.921 50 20 CBGD O=C(CC1CC1)NNC(=O)c1cnc2[nH]nnc2c1 819144638 QGAWSCGFASJOKN-UHFFFAOYSA-N 260.257 -0.086 50 20 CBGD C[C@H](CO)N(C)NC(=O)CN1Cc2ccccc2C1=O 823960148 WSPWSXNWDFCFQI-SNVBAGLBSA-N 277.324 -0.014 50 20 CBGD C[C@@H]1O[C@H](C)CC1=NNC(=O)[C@@H](C)NS(C)(=O)=O 834955725 HNNOXWRTVZTJCI-PRJMDXOYSA-N 277.346 -0.406 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCCC[C@@H]1CN 841950656 VHKYXCHIFMZREP-NXEZZACHSA-N 272.349 -0.129 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=S)NC[C@@H]1CCOC1 843276581 DILVXGBBIYLBCR-LPEHRKFASA-N 287.385 -0.057 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](N)[C@H](C)C1 843353639 MTCNUMPRTPJXQK-KXUCPTDWSA-N 256.350 -0.399 50 20 CBGD O=C(C[C@@H]1COCCN1)NNC(=O)c1ccccc1 844204993 STLLOYDGNWMFOT-LLVKDONJSA-N 263.297 -0.174 50 20 CBGD O=C(NNS(=O)(=O)N1C[C@H]2CC[C@H]1C2)c1cnccn1 844646420 MZPSUAHJDPEGIR-IUCAKERBSA-N 297.340 -0.560 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)N2)o1 845740102 XRCYPUQSNGNLQX-ZETCQYMHSA-N 287.297 -0.959 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H]1CCCS(=O)(=O)C1 846122200 KKGWTZTXYIJYJY-SSDOTTSWSA-N 264.303 -0.459 50 20 CBGD Cc1cc(C)nc(NNC(=O)Cn2nc(C)n(C)c2=O)n1 847312321 KSMBTYYBZFNKBY-UHFFFAOYSA-N 291.315 -0.560 50 20 CBGD CN(C)N(C(=O)[C@H](O)C1CC1)[C@H]1CCS(=O)(=O)C1 854517130 XKIDUJIPLGVCPX-VHSXEESVSA-N 276.358 -0.750 50 20 CBGD CNC(=S)N(C)NC(=O)Cc1cnn(C)c1C 854921691 WPLDNWYBXCVILP-UHFFFAOYSA-N 255.347 -0.262 50 20 CBGD CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)c2cc[nH]n2)C1 855357148 BQTXEBCVGPXZGE-GFCCVEGCSA-N 279.300 -0.571 50 20 CBGD Cc1cncc(/C=C/C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862457305 GMMIVVKMDBXVJX-FWEMWIAWSA-N 288.307 -0.171 50 20 CBGD CCOC(=O)C[C@H](C)CNC(=O)c1cccc(B(O)O)c1 863877996 MGWNYWPLQRTFGD-JTQLQIEISA-N 293.128 -0.315 50 20 CBGD C=CCOC[C@H](NCc1cccc(B(O)O)c1)C(=O)OC 863891575 UEABDRRLUDWSHO-ZDUSSCGKSA-N 293.128 -0.800 50 20 CBGD CCOC(=O)CCCS(=O)(=O)N1CC[C@H](B(O)O)C1 864230582 AONKEAADEYJGBM-VIFPVBQESA-N 293.150 -0.792 50 20 CBGD CN1C(=O)CCC[C@@H]1C(=O)NNC(=O)C1CCC1 906644143 JXNKCCKHKFBXAV-SECBINFHSA-N 253.302 -0.055 50 20 CBGD CC(C)NC(=O)N1CCC[C@H]1C(=O)NN(C)C[C@H](C)O 910164738 CFGXOGCTVXYGAW-QWRGUYRKSA-N 286.376 -0.087 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCN1CCC2(C1)OCCO2 912896423 FKNBORKLUFMGTK-ZRDIBKRKSA-N 295.339 -0.005 50 20 CBGD CO[C@](C)(C(=O)NNC(=O)CN1CCCC1=O)C1CC1 913732958 PPWJTLGPWSEMFP-ZDUSSCGKSA-N 283.328 -0.429 50 20 CBGD NC(=O)Cc1occc1C(=O)NNC(=O)c1ccccn1 1117102624 IKASGUIAAWVUHM-UHFFFAOYSA-N 288.263 -0.223 50 20 CBGD N#Cc1ncn(CC(=O)NNC(=O)OCC(F)(F)F)n1 1261755123 VFUHQJQRSSCKSL-UHFFFAOYSA-N 292.177 -0.531 50 20 CBGD NC(=O)c1ccc(NNC(=O)CC2CCOCC2)nn1 1319243122 IIKNTVHAEYYCQG-UHFFFAOYSA-N 279.300 -0.165 50 20 CBGD CCNC(=O)NNC(=O)c1c[nH]nc1-c1cnn(C)c1 1320630341 SBZYPRBTRPNXJV-UHFFFAOYSA-N 277.288 -0.226 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@@H](CCOC)C(N)=O 1320637300 MAFWCAHVIUGMAF-FLOXNTQESA-N 255.274 -0.563 50 20 CBGD COC(=O)C(=O)NN[C@H](C(N)=O)c1ccc(F)cc1 1322287759 DOQUGGACXZMAKY-QMMMGPOBSA-N 269.232 -0.854 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cccnc1N(C)C 1327091784 PAPBKGXAGIYJIZ-UHFFFAOYSA-N 279.300 -0.046 50 20 CBGD CN1CCC[C@H](CNC(=O)NNC(=O)c2cn[nH]c2)C1 1328788341 CPPGTTXVDDCORD-SECBINFHSA-N 280.332 -0.305 50 20 CBGD CCOc1cc(C(=O)NNC(=O)C(=O)NC(C)C)on1 1329034726 AGZPMCLHVCTTTR-UHFFFAOYSA-N 284.272 -0.641 50 20 CBGD CCS(=O)(=O)CC(C)=NNC(=O)[C@@H]1CCC(=O)N1 1329190711 HPRCFZHRNBOKHT-QMMMGPOBSA-N 275.330 -0.808 50 20 CBGD CO[C@]1(C(=O)NNC(=O)c2cccnn2)CCSC1 1332169811 DZLWBMCMYGZHOE-LLVKDONJSA-N 282.325 -0.240 50 20 CBGD Cn1cc(C(=O)C(=O)NNC(=O)NC2CCCC2)cn1 1338345986 HKLXVQPVSRGYPG-UHFFFAOYSA-N 279.300 -0.124 50 20 CBGD Cc1cccc(C(=O)NNC(=O)N2CC[C@@H]2CO)n1 1340107383 YEMHKPHODBRMIG-SECBINFHSA-N 264.285 -0.189 50 20 CBGD O=C(NNc1cccnn1)[C@@H]1CCc2nncn2C1 1343962006 UCQATQOPAASKEZ-MRVPVSSYSA-N 259.273 -0.226 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CC(N2CCN(C)CC2)C1 1344027714 HKLKRGNHZVRCMB-VAWYXSNFSA-N 278.356 -0.111 50 20 CBGD CCOC(=O)N[C@@H](C(=O)NNC(=O)CCCN)C(C)C 1577992707 XJCMIQLYLFCBAP-SNVBAGLBSA-N 288.348 -0.357 50 20 CBGD Cc1c(C(=O)NNC(=O)N(C)C)cc(CN)n1C 1579526614 SPHCPDSWPVKCDC-UHFFFAOYSA-N 253.306 -0.292 50 20 CBGD CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)c1ncccn1 1588808344 POQFGQVUIFFVEI-SSDOTTSWSA-N 266.257 -0.406 50 20 CBGD COc1cc(C(=O)NNC(C)=O)ccc1-c1nn[nH]n1 1591516005 ZMPUXEKVDYLNDU-UHFFFAOYSA-N 276.256 -0.344 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(C(=O)O)n1 1594643997 KRCSEAIEKNQQSN-HTQZYQBOSA-N 293.279 -0.034 50 20 CBGD CCc1noc(C)c1CNC(=O)NNC(=O)C(=O)O 1597742515 QYZFZWYVFRFIFA-UHFFFAOYSA-N 270.245 -0.540 50 20 CBGD COC(=O)N(C)NC(=O)c1cccn(CC(=O)O)c1=O 1604341124 IRXHQCVABAVOHP-UHFFFAOYSA-N 283.240 -0.724 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@H](O)C1CCC1 1606857600 PLPDPAWLHOHNFZ-SNVBAGLBSA-N 289.299 -0.134 50 20 CBGD N#CCN(CC(=O)O)S(=O)(=O)CBr 1608183551 HOTQSKNBOSMWRT-UHFFFAOYSA-N 271.092 -0.421 50 20 CBGD O=C(NNC(=O)c1ncon1)N[C@@H]1CC=C(C(=O)O)C1 1608479354 BLYARHNJWZNOIE-ZCFIWIBFSA-N 281.228 -0.813 50 20 CBGD O=C(NCCc1ccc([N+](=O)[O-])cc1)NNC(=O)C(=O)O 1610694341 IFKLNAFGOXEKJZ-UHFFFAOYSA-N 296.239 -0.448 50 20 CBGD O=C(NCCc1ccccc1)NNC(=O)C(=O)NC1CC1 42298213 YRBIMLXUFJUMMZ-UHFFFAOYSA-N 290.323 -0.162 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 53918950 BMKPDLQOBZCBPM-VIFPVBQESA-N 251.242 -0.213 50 20 CBGD CCNC(=O)CN(CC)CC(=O)NNC(=O)C1CC1 112976453 CKCZTLQNLKKPLU-UHFFFAOYSA-N 270.333 -0.998 50 20 CBGD CCNC(=O)CNC(=O)NNC(=O)Cc1ccccc1F 171840607 UKRUXNVQZOQBFY-UHFFFAOYSA-N 296.302 -0.165 50 20 CBGD CC(=O)N1CC(C(=O)NNC(=O)c2ccccc2)C1 188157909 UUETXAXUCDWCER-UHFFFAOYSA-N 261.281 -0.074 50 20 CBGD CSCC[C@@H](O)C(=O)NNC(=O)c1ccncc1 274455967 UBYLRRFRYMDUJW-SECBINFHSA-N 269.326 -0.043 50 20 CBGD COc1ccc(NNC(=O)[C@H](C)NS(C)(=O)=O)nc1 275498185 HDMGEDXEDLERFR-ZETCQYMHSA-N 288.329 -0.529 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc2[nH]c(=O)[nH]c2c1 277903039 GXRZYKYWESENDU-UHFFFAOYSA-N 278.268 -0.612 50 20 CBGD CNC(=O)NNC(=O)[C@@H](C)N(C)CC(F)(F)F 280588410 NARFTALDEOHFHH-RXMQYKEDSA-N 256.228 -0.171 50 20 CBGD COCCN1C[C@H](C(=O)NNc2ncccn2)CC1=O 298410502 RKQQWYPHHLWAHW-SECBINFHSA-N 279.300 -0.585 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1C[C@@]12CCOC2 372049536 TZTFZKKCGUXBMR-QMTHXVAHSA-N 297.355 -0.135 50 20 CBGD CC[C@@H](C(=O)Nc1cccc(B(O)O)c1)N1CCCC1=O 584912097 LENFHLVITVSLMG-LBPRGKRZSA-N 290.128 -0.294 50 20 CBGD Cn1ncc2c1C[C@@H](C(=O)Nc1cccc(B(O)O)c1)CC2 584913922 MCUMABDHKBXODQ-JTQLQIEISA-N 299.139 -0.157 50 20 CBGD CC(C)[C@@H](C#N)NC(=O)c1ccc(B(O)O)c(F)c1 584978785 XOAVQHHCRBELPE-LLVKDONJSA-N 264.065 -0.217 50 20 CBGD CCC[C@@]1(CO)CCN(C(=O)c2cccc(B(O)O)c2)C1 584992243 IXGRXLDKWFAVQM-OAHLLOKOSA-N 291.156 -0.009 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@H]1CF 584993962 BHWSUWRHVITBKO-LLVKDONJSA-N 251.066 -0.060 50 20 CBGD OB(O)c1ccccc1CNCCn1cnnc1C1CC1 585032732 LBGMJFDIBJYKOZ-UHFFFAOYSA-N 286.144 -0.375 50 20 CBGD CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NCB(O)O 585055117 XWQUZVDQCWXDJN-LLVKDONJSA-N 296.107 -0.292 50 20 CBGD O=C(CCN1CCCC1=O)NNC(=O)NCC(F)(F)F 727864607 PAJVUUSIGSHHQL-UHFFFAOYSA-N 296.249 -0.108 50 20 CBGD CNC(=O)C1(C(=O)NNc2nccc(OC)n2)CCC1 729967355 GTVRULAEQRNVAW-UHFFFAOYSA-N 279.300 -0.155 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@H](C(=O)O)C1 736401697 KSNYGIYNVGZKAH-ZJUUUORDSA-N 285.344 -0.025 50 20 CBGD CN(C)CC(=O)NN=Cc1ccc2c(c1)nnn2C 737433945 JUZSYZQHKUUEHF-UHFFFAOYSA-N 260.301 -0.020 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)C1CCN(C)CC1 746291553 JDFZFJQPVUFYGC-UHFFFAOYSA-N 298.387 -0.220 50 20 CBGD O=C(CO)NNC(=O)CCCn1cnc2ccccc21 753452347 QSSYDGYLLRINCF-UHFFFAOYSA-N 276.296 -0.044 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=O)Cc1ccncc1 755018047 RYPXSNWANMUWLT-GFCCVEGCSA-N 267.285 -0.831 50 20 CBGD CN1CCN(C(=O)NNC(=O)CSCC#N)CC1 773658121 LLLKSYDGGKWWIK-UHFFFAOYSA-N 271.346 -0.769 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ccc([N+](=O)[O-])o2)CC1 773671776 BPEWRNXTKUFZQA-UHFFFAOYSA-N 297.271 -0.210 50 20 CBGD O=C(CO)NN=Cc1cnc2cnc(Br)cn12 776779823 CCILQIIDFPEWKE-UHFFFAOYSA-N 298.100 -0.066 50 20 CBGD COC(=O)CNC(=O)NN=C1CN2CCC1CC2 779821105 NTNCFHHQWLEMJT-UHFFFAOYSA-N 254.290 -0.460 50 20 CBGD O=C(CN1C[C@H]2C[C@]2(CO)C1)NNC(=O)c1cccs1 782635503 VLCOZFKEVPYGSU-NOZJJQNGSA-N 295.364 -0.177 50 20 CBGD O=C(CCOCC(F)F)NNC(=O)N1CCOCC1 790533625 DJXIBMUOBNOANX-UHFFFAOYSA-N 281.259 -0.269 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@@H](C)c1nnnn1C1CC1 792475383 MYWPYNWEDAJSQD-JGVFFNPUSA-N 295.347 -0.396 50 20 CBGD CCCC[C@@H](C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 800690887 SGFDGYYLCOFNTI-RKDXNWHRSA-N 293.389 -0.102 50 20 CBGD NC(=O)c1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)c[nH]1 802027015 NPVMMRKLAVTYPC-UHFFFAOYSA-N 288.267 -0.603 50 20 CBGD O=C(CO)NNC(=O)c1nc2cccnc2s1 807195651 JSRFLNJZANOOSQ-UHFFFAOYSA-N 252.255 -0.555 50 20 CBGD CN(C)c1ncc(C=NNC(=O)CN2CCCC2=O)cn1 814760744 DSZCLJYHEDKYRY-UHFFFAOYSA-N 290.327 -0.385 50 20 CBGD O=C(NN=C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 814781962 QGRDZZIJJOPJOJ-VHSXEESVSA-N 274.342 -0.050 50 20 CBGD COCCN(C)NC(=O)[C@@H]1COCCN1CC(F)(F)F 816561119 MKFCSOPNSAIAOM-VIFPVBQESA-N 299.293 -0.141 50 20 CBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)c1ccccc1 816816909 MCTNBYPXLZUQSK-VHSXEESVSA-N 261.281 -0.041 50 20 CBGD CCN(CCO)NC(=O)Cn1nnc(-c2ccccc2)n1 823841221 FSDRPQAJMXKJQO-UHFFFAOYSA-N 290.327 -0.315 50 20 CBGD CO[C@@H]1COC[C@H]1NC(=O)NNC(=O)c1ccc(C)o1 827478187 OTJRTVKDRZAFHO-PSASIEDQSA-N 283.284 -0.054 50 20 CBGD CCC[C@H](OC)C(=O)NNC(=O)N1CCN(C)CC1 830240743 MNNLWKHOLKGOMM-JTQLQIEISA-N 272.349 -0.210 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1ccc2c(c1)nnn2C 831966967 ZOEJEIYGUHQBMZ-UHFFFAOYSA-N 291.315 -0.317 50 20 CBGD CC(C)OCCS(=O)(=O)NNC(=O)[C@H]1CCO[C@@H]1C 842591377 BYZYYDWJCCORJD-ZJUUUORDSA-N 294.373 -0.213 50 20 CBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)N1)Nc1ccccc1 846095997 TVMMATJHKANGBP-SECBINFHSA-N 298.324 -0.469 50 20 CBGD COC(=O)Cc1ccc(NNC(=O)CCNC(N)=O)cc1 846370134 CGCJCAQTKJFBSE-UHFFFAOYSA-N 294.311 -0.096 50 20 CBGD Cc1ccc(C(=O)NNC(=O)Cn2nc(C)n(C)c2=O)o1 847555081 OLLAAVHBWKNGBP-UHFFFAOYSA-N 293.283 -0.747 50 20 CBGD CC(C)C#CC(=O)NNC(=O)N1CCN(C)CC1 854381030 CTYGFPCRXFMRHL-UHFFFAOYSA-N 252.318 -0.366 50 20 CBGD O=C(CN1CCCC1=O)NNC(=S)NCC1CCC1 855093455 SMYNSWWGZBFPQA-UHFFFAOYSA-N 284.385 -0.096 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@H]1CN(C)CCO1)C1CC1 855101699 XVQCLMNPKCMDBN-PSASIEDQSA-N 286.401 -0.389 50 20 CBGD C[C@H]1C[C@@H](C(=O)NNC(=O)c2cc[nH]n2)CCO1 855356051 FOUQPYDNCFSVRR-YUMQZZPRSA-N 252.274 -0.014 50 20 CBGD CCS(=O)(=O)CC(=O)NNC(=O)OCC(F)(F)F 856024033 FQQHVCBEOKLRBA-UHFFFAOYSA-N 292.235 -0.259 50 20 CBGD CO[C@@H](CNC(=O)NNC(=O)c1cn[nH]c1)C1CC1 858492231 LFHCXFJALDPIDH-VIFPVBQESA-N 267.289 -0.221 50 20 CBGD C#CCC(C)(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862462193 VOZDAIMIFYTAFH-QMMMGPOBSA-N 251.286 -0.538 50 20 CBGD COC(=O)C1(NC(=O)c2ccc(B(O)O)cc2)CCCC1 863871735 ZNLMZJDPRYLURG-UHFFFAOYSA-N 291.112 -0.418 50 20 CBGD CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 863879676 XUUPVUHTZXOHTC-VHSXEESVSA-N 293.128 -0.316 50 20 CBGD COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(B(O)O)cc1 863886365 ZIOCGKQQMIVWOD-NEPJUHHUSA-N 291.112 -0.562 50 20 CBGD COCCOCC(=O)NNC(=O)C1(CCOC)CC1 869908768 WUZVKRPBWTUBKV-UHFFFAOYSA-N 274.317 -0.387 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H](C)Cn1ccc(C)n1 869916333 WZLAHHKBRBNJEU-SNVBAGLBSA-N 298.343 -0.362 50 20 CBGD C=CCNC(=S)NNC(=O)c1nc(OC)cc(OC)n1 905095721 IWFUKLKJFZWZQG-UHFFFAOYSA-N 297.340 -0.211 50 20 CBGD CN1CCO[C@H](C(=O)NNc2ncccc2F)C1=O 908129209 VSRNYQCJUXVIBA-MRVPVSSYSA-N 268.248 -0.479 50 20 CBGD O=C(CNC(=O)N1CCCC1)NNC(=O)[C@@H]1CCCCO1 908517384 JWGFLNOZLBBKJL-JTQLQIEISA-N 298.343 -0.492 50 20 CBGD COC(=O)c1cc(C(=O)NN(C)C[C@@H](C)O)c[nH]1 910144429 IIJNIEXCQWSVRZ-SSDOTTSWSA-N 255.274 -0.241 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H](C)CN1CCOCC1 910156299 SGUIBHYFJVCGIV-GHMZBOCLSA-N 259.350 -0.702 50 20 CBGD C[C@@H](O)CN(C)NC(=O)COCc1cccnc1 910158113 VBLPYJLHUIATFN-SNVBAGLBSA-N 253.302 -0.058 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 910170309 JPBQTQQAZJFMGS-RNJXMRFFSA-N 297.277 -0.213 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCCS(C)(=O)=O 1116028729 OOCAIYSZMDZEQL-UHFFFAOYSA-N 288.329 -0.696 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H](c1ccco1)N(C)C 1116181832 JMSBTZXBIQHUDT-MRVPVSSYSA-N 298.299 -0.614 50 20 CBGD NC(=O)C1(C(=O)NNc2nncc(N)c2Cl)CCC1 1319207324 GBPUUQUAIQYBJS-UHFFFAOYSA-N 284.707 -0.189 50 20 CBGD CCCC(=O)NNC(=O)C(=O)Nc1ccccn1 1319267843 IBXBWCZAANHDDT-UHFFFAOYSA-N 250.258 -0.032 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cc(C#N)ccc1OC 1320244444 AGLJOXQWQRAJFK-UHFFFAOYSA-N 292.251 -0.107 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)c1cn[nH]c1 1329521231 HWLCVUCRQOLNJY-SSDOTTSWSA-N 275.272 -0.975 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cccnc2Cl)N1 1330107891 JVOCJFILDOKIGB-ZETCQYMHSA-N 282.687 -0.225 50 20 CBGD Cc1cc(CNC(=O)NNC(=O)c2cnn(C)c2)n(C)n1 1340748935 STAJWFJLNDZNOG-UHFFFAOYSA-N 291.315 -0.394 50 20 CBGD C[C@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)N(C)C 1352191721 VTEXYSWAIFBUGK-MRVPVSSYSA-N 279.344 0.000 50 20 CBGD C=CC(=O)N(C)CC(=O)NNc1ccc(C(=O)O)cn1 1573345454 TXJSUMPVVJIBAJ-UHFFFAOYSA-N 278.268 -0.133 50 20 CBGD CC1(C)C[C@@]1(C(=O)O)C(=O)NNC(=O)c1cccnn1 1573667886 MNWMWTKAVCNXES-LBPRGKRZSA-N 278.268 -0.262 50 20 CBGD CC#CC[C@@H](N)C(=O)NN(C)C(=S)NCCCOC 1574972954 RGCLIESWAGEFNC-SNVBAGLBSA-N 286.401 -0.399 50 20 CBGD C[C@H]1CCN(CCNC(=O)NNC(=O)C2CCNCC2)C1 1576732804 XTMNZIRZQDCTLX-NSHDSACASA-N 297.403 -0.342 50 20 CBGD CCC(C)(C)[C@H](O)C(=O)NNC(=O)[C@@H]1CCCNC1 1576941774 JMYFOROCIFUVOS-NXEZZACHSA-N 271.361 -0.070 50 20 CBGD O=C(NNC(=O)[C@@H]1CCN1)c1cc(-c2ccccn2)no1 1580732714 HEVCIOIWYLFVEY-VIFPVBQESA-N 287.279 -0.141 50 20 CBGD O=C(NNC(=O)[C@H]1CCN1)c1cnc2nccnc2c1 1580736235 PIHNFYBHGZWSMK-MRVPVSSYSA-N 272.268 -0.852 50 20 CBGD CC(C)C(=O)NNC(=O)CN(CC#N)CCC(=O)O 1590939947 HQXDPLNQDCESQQ-UHFFFAOYSA-N 270.289 -0.910 50 20 CBGD O=C(O)COCC(=O)NNc1ccc(-n2ccnc2)nn1 1595107243 OAIMWTLCFKJYSU-UHFFFAOYSA-N 292.255 -0.793 50 20 CBGD O=C(O)CN(C(=O)c1ccc(B(O)O)cc1)C1CCCC1 1602051458 OQUJTKDERAJNBS-UHFFFAOYSA-N 291.112 -0.164 50 20 CBGD O=C(O)Cc1ccc(NNC(=O)[C@H]2CC(=O)N2)cc1 1602127046 DEJZHOKQOHNJGW-SECBINFHSA-N 263.253 -0.355 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(C(=O)O)CC=CC1 1603480025 NDJXDIQCWPLZED-BDAKNGLRSA-N 282.296 -0.020 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1Cc2ccccc2N1C(C)=O 102338557 OFIPNVCKLXOCRY-NSHDSACASA-N 276.296 -0.076 50 20 CBGD Cc1cc(F)ccc1NC(=O)C(=O)NNC(=O)CN(C)C 126480741 KNKSBYGRFCKLHI-UHFFFAOYSA-N 296.302 -0.218 50 20 CBGD Cc1c(/C=C/C(=O)NNC(=O)C(C)(C)O)cnn1C 277933538 KEGDIRJOZZGXIN-AATRIKPKSA-N 266.301 -0.340 50 20 CBGD CO[C@@H](C(=O)NNC(=O)CNC(=O)c1ccco1)C1CC1 279317831 NVFGBPRTTFQDHY-LLVKDONJSA-N 295.295 -0.418 50 20 CBGD CCn1nc(C)c(C(=O)NNC(=O)c2cc(C)n[nH]2)n1 294727958 XOZMGFOGJHSVSU-UHFFFAOYSA-N 277.288 -0.287 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CCn1ccnn1 298385684 BJQKDWLQHMQLCT-UHFFFAOYSA-N 262.273 -0.532 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCc2nn[nH]c2C1 584914393 WORUEDSSYNPLOH-MRVPVSSYSA-N 286.100 -0.772 50 20 CBGD C[C@H](NC(=O)c1cccc(B(O)O)c1)[C@@H]1CCCOC1 584972101 NCGDMDSDPXALEK-CMPLNLGQSA-N 277.129 -0.089 50 20 CBGD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCB(O)O 585055001 WJLNMJMCNCEWAE-UHFFFAOYSA-N 267.050 -0.597 50 20 CBGD O=C(O)COc1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1 585063652 DVMGYBVQZQMVSA-JTQLQIEISA-N 293.084 -0.161 50 20 CBGD C[C@]12CCC(=O)N1[C@H](C(=O)N1CC[C@@H](B(O)O)C1)CS2 585073529 YQMPEWAKFQZCLG-PTRXPTGYSA-N 298.173 -0.484 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C1=COCCO1 732084452 ITBHWSOSQIEGBX-UHFFFAOYSA-N 252.230 -0.633 50 20 CBGD COCCCNC(=O)NNC(=O)C(C)(C)S(C)(=O)=O 733138216 BESWXOMFERXLAX-UHFFFAOYSA-N 295.361 -0.824 50 20 CBGD C[C@H](Sc1nnnn1C1CC1)C(=O)NNC(=O)N(C)C 746014713 OMKBGWPNUXDJCG-LURJTMIESA-N 299.360 -0.209 50 20 CBGD O=C(CO)NNC(=O)c1cc(O)nc2cc(F)ccc12 753439660 RZILSAWOXZZOFW-UHFFFAOYSA-N 279.227 -0.167 50 20 CBGD CCN(CC(=O)NNc1nnc(C)c(O)n1)C1CC1 763526287 SSSCKYYQRVPOJD-UHFFFAOYSA-N 266.305 -0.187 50 20 CBGD Cc1cccc(NC(=O)C(=O)NNC(=O)CO)c1F 764422257 RHQRXLVYJCBMDO-UHFFFAOYSA-N 269.232 -0.788 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CCN(C)C2=O)n1 771888464 NKARJGANFZIMBT-SNVBAGLBSA-N 293.327 -0.874 50 20 CBGD N=C1NC(=O)[C@@H](CC(=O)NNc2cnccn2)S1 775278233 ZZEBWYPXOUUCMF-RXMQYKEDSA-N 266.286 -0.524 50 20 CBGD COC(=O)CC(C)(C)CC(=O)NNC(=O)CN(C)C 780469603 CIMXPPFJROAAJI-UHFFFAOYSA-N 273.333 -0.325 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cccc2nn[nH]c12 783612230 LOHIBWAQURWHQH-UHFFFAOYSA-N 285.267 -0.315 50 20 CBGD C[C@@H](C[S@@](C)=O)NC(=O)NNC(=O)C1CCC1 784534457 ALKHABGZNZIRTR-BWKAKNAASA-N 261.347 -0.116 50 20 CBGD CCCOCC(=O)NNC(=O)N1CCN(C)CC1 788170073 YWGFJSVKIAONLA-UHFFFAOYSA-N 258.322 -0.599 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCN(C)[C@@H]2C)n1 788267953 QPGDDWDJBPRCNW-VXGBXAGGSA-N 293.371 -0.012 50 20 CBGD Cc1nn[nH]c1C(=O)NNC(=O)Cn1cnc2ccccc21 789869926 WLILHUQWTNMSNB-UHFFFAOYSA-N 299.294 -0.076 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc(OC)cc1F 790391399 JMPMYBWEQGHROE-UHFFFAOYSA-N 277.277 -0.043 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCCS2)CC1 807382611 HHCQZKRGZIRFBO-VIFPVBQESA-N 272.374 -0.130 50 20 CBGD C[C@H](CO)N(C)NC(=O)CN1C(=O)COc2ccccc21 823987671 KWLAQOLUPOKJEM-SNVBAGLBSA-N 293.323 -0.244 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1nc2ncccn2n1 855007281 UPDRBXCOTLZRGP-YUMQZZPRSA-N 290.283 -0.690 50 20 CBGD CCC[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858102968 HUWQGTJLBMCTPE-SFYZADRCSA-N 256.306 -0.216 50 20 CBGD CSCC[C@@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858233778 UYTLCZRHEBZSAF-HTQZYQBOSA-N 288.373 -0.263 50 20 CBGD CC(C)[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 858694955 CVUUMTXKRFZSCJ-ZJUUUORDSA-N 298.343 -0.637 50 20 CBGD CCOC(=O)C(C)(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862457447 JQGNRZIUYKOXEA-ZETCQYMHSA-N 285.300 -0.998 50 20 CBGD O=Cc1ccc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 862463603 IIMDJANCWPSSOY-LLVKDONJSA-N 289.291 -0.532 50 20 CBGD COC(=O)C1(C(=O)COc2ccc(B(O)O)cc2)CC1 863865346 CBSVXTSDVKJHMW-UHFFFAOYSA-N 278.069 -0.733 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@]2(C)CCOC2)n[nH]1 869015297 PDJDWOVYKRVHFL-GFCCVEGCSA-N 266.301 -0.165 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1ccnc(CN(C)C)c1 880613019 QBNHEGWOYVLNFS-UHFFFAOYSA-N 294.359 -0.143 50 20 CBGD CCN(CC)Cc1cn(CC(=O)NNC(=O)C(C)C)nn1 881299274 DLHIVOCSIUUWCM-UHFFFAOYSA-N 296.375 -0.077 50 20 CBGD CCOC(=O)N1CSC[C@@H]1C(=O)NNC(C)=O 929182809 QKVOGFHEDNRFDE-SSDOTTSWSA-N 261.303 -0.315 50 20 CBGD C=C(C)COCCNC(=O)NNC(=O)C(=O)OC 1116281506 DKIDDJSRBYFHAN-UHFFFAOYSA-N 259.262 -0.918 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCCN(C(N)=O)C1 1261499631 QANBKIZPXARBRP-IVZWLZJFSA-N 298.343 -0.651 50 20 CBGD O=C(CCN1C(=O)CCC1=O)NNC(=O)C1CC1 1317846994 KDRNOAMKMNEPGN-UHFFFAOYSA-N 253.258 -0.917 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccn(C)c(=O)c1 1318090228 VVNYWTQNCZYKRD-UHFFFAOYSA-N 282.300 -0.634 50 20 CBGD COc1ccc(C(=O)NNC(=O)N2CCOCC2)nn1 1321995354 NVCQIGFGZGLSMB-UHFFFAOYSA-N 281.272 -0.828 50 20 CBGD O=C(NNC(=O)[C@]1(F)CCOC1)c1ccncc1 1324022641 FRGDKKCZVDHFGH-NSHDSACASA-N 253.233 -0.029 50 20 CBGD COCCOc1cncc(C(=O)N2CC[C@H](B(O)O)C2)c1 1329214587 IGDHDBADRVENMM-NSHDSACASA-N 294.116 -0.204 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1C[C@H]1c1cccnc1 1330168017 IVGBFGBDQAOUEN-VHSXEESVSA-N 297.336 -0.623 50 20 CBGD CC(C)(C(=O)NNc1cccnn1)S(C)(=O)=O 1337694287 MGWXRYNAGRSUJO-UHFFFAOYSA-N 258.303 -0.257 50 20 CBGD O=C(O)c1cc(C(=O)NNC(=O)c2cccc(F)n2)[nH]n1 1574578508 INUWTVCBOWJFKK-UHFFFAOYSA-N 293.214 -0.283 50 20 CBGD CC1(C)CC[C@H](CNC(=O)NNC(=O)c2ncon2)NC1 1576417321 TWNVBADJIZHDRY-MRVPVSSYSA-N 296.331 -0.208 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCC(=O)O 1589425097 WKIMRRUKVXXBJT-LURJTMIESA-N 260.246 -0.660 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2C[C@@H](C(=O)O)C2)n1 1600179352 XUNRJXZNTCHBQG-AOOOYVTPSA-N 294.311 -0.242 50 20 CBGD O=C(CO)NNC(=O)Cn1cc(C(=O)O)c2ccccc21 1601330344 TWNHWHCLVTURFS-UHFFFAOYSA-N 291.263 -0.521 50 20 CBGD O=C(Cn1cccc(C(=O)O)c1=O)NNC(=O)NC1CC1 1601387331 ATEGCDDMUSXFBE-UHFFFAOYSA-N 294.267 -0.961 50 20 CBGD O=C(NCCC1CCOCC1)NNC(=O)C(=O)O 1601492400 NWGHYPAUMLOSTN-UHFFFAOYSA-N 259.262 -0.782 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CCC1)[C@@H]1CCCCO1 1605814535 GAWZPDVCLXSAHP-QMMMGPOBSA-N 270.285 -0.042 50 20 CBGD NC(=O)c1ccc(NNC(=O)CCCC(=O)O)nn1 1610640654 GEJIYENGJRCHDA-UHFFFAOYSA-N 267.245 -0.727 50 20 CBGD CC(C)NC(=O)NNC(=O)CSc1nnnn1C1CC1 49468203 RPLJAYFLZNTRCX-UHFFFAOYSA-N 299.360 -0.161 50 20 CBGD CC(C)N1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 204231047 LAPLNOGWRYGCKV-UHFFFAOYSA-N 276.145 -0.467 50 20 CBGD N#CC1(C(=O)NNC(=O)N2CCOCC2)CCC1 265444811 BETPYNQTQAXFIZ-UHFFFAOYSA-N 252.274 -0.247 50 20 CBGD CO/N=C(/C(=O)NNC(=O)[C@@H]1COCCO1)c1ccco1 266868391 CNFQLNSGBVWAMQ-JLBUCRLOSA-N 297.267 -0.807 50 20 CBGD COC(=O)NNS(=O)(=O)CCOCC1CC1 497234183 VMUMHXSDCOJSBC-UHFFFAOYSA-N 252.292 -0.397 50 20 CBGD CCOCCN(C)C(=O)c1cc(B(O)O)ccc1F 584969653 GUVCIOVWHSSRHG-UHFFFAOYSA-N 269.081 -0.386 50 20 CBGD O=C(N[C@@H]1CCC[C@@H]1F)c1ccc(B(O)O)cc1 584995544 XAVONMJJSBJFFC-WDEREUQCSA-N 251.066 -0.013 50 20 CBGD O=C(CCCn1ccnc1)NNC(=O)C(=O)N1CCCC1 729351397 RJIJJDLYTSZSMG-UHFFFAOYSA-N 293.327 -0.567 50 20 CBGD Cn1ccnc(NNC(=O)c2cccnc2O)c1=O 747937606 JCZYFCQUYYWEBI-UHFFFAOYSA-N 261.241 -0.362 50 20 CBGD CCOC(=O)C1CCC(=NNC(=O)C(N)=O)CC1 750915795 BAPMSGYHTXLGMS-UHFFFAOYSA-N 255.274 -0.303 50 20 CBGD O=C(CO)NNC(=O)Nc1cccc(C(=O)NC2CC2)c1 755556169 CECNTVTXYGAGKR-UHFFFAOYSA-N 292.295 -0.276 50 20 CBGD C=CCOCC(=O)NNC(=O)CNC(=O)c1cccnc1 764342646 GLKXCDGQNKKAFX-UHFFFAOYSA-N 292.295 -0.839 50 20 CBGD CC(C)(C(N)=O)C(=O)NNC(=O)NC1CCCC1 767753723 HKFDNUAVLNOHBX-UHFFFAOYSA-N 256.306 -0.229 50 20 CBGD CC(C)(O)C(=O)NNC(=O)C1(O)CCSCC1 768243678 GSPLQJLHFFZHDZ-UHFFFAOYSA-N 262.331 -0.837 50 20 CBGD CCCNC(=O)NN=Cc1cn(CC(=O)O)nn1 768481480 AWUQCTJSLOOCHA-UHFFFAOYSA-N 254.250 -0.594 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)N1CCCCC1 768493143 AEEWBKLJBNWAAV-UHFFFAOYSA-N 264.351 -0.117 50 20 CBGD CCNC(=O)NNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 770893327 NTNARJNGKKHATN-SSDOTTSWSA-N 294.377 -0.699 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC(O)(C(C)C)C1 773895138 GATDFXJVPFBOEM-SECBINFHSA-N 257.334 -0.365 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1C[C@H](O)C(C)(C)C1 790452179 WUOQEIAYLDJMRS-VIFPVBQESA-N 271.361 -0.117 50 20 CBGD CNS(=O)(=O)CCNC(=O)NCCSSC 790826757 AKQJOTAVQGKBIG-UHFFFAOYSA-N 287.432 -0.154 50 20 CBGD CCOC(=O)C(C)(C)CC(=O)NNC(=O)C(=O)NC1CC1 805162832 OCYLIBAAWFLVLA-UHFFFAOYSA-N 299.327 -0.608 50 20 CBGD N#CCNC(=O)CNC(=O)NNc1cccc([N+](=O)[O-])c1 807552081 MMIZXGUJKFAGTL-UHFFFAOYSA-N 292.255 -0.139 50 20 CBGD COc1nnccc1NC(=O)NNC(=O)c1cnccn1 808902561 WUMMHBMNGMKIIJ-UHFFFAOYSA-N 289.255 -0.258 50 20 CBGD CC(=O)NCCCNC(=O)NNc1ncncc1F 814273459 LFKIVYZAZUVDAZ-UHFFFAOYSA-N 270.268 -0.232 50 20 CBGD O=C(C[C@H]1CCC(=O)N1)NNC(=O)c1ccccn1 816808182 FJKATCCEWLFYFC-MRVPVSSYSA-N 262.269 -0.489 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cc(Cl)no2)CC1 822764808 OJTUVGSCJNGKSS-UHFFFAOYSA-N 287.707 -0.070 50 20 CBGD CCn1cnc(C(=O)NNC(=O)NCCCOC)c1 823816182 RAHWAAMSRSSXBL-UHFFFAOYSA-N 269.305 -0.117 50 20 CBGD CCCN1C[C@H](C(=O)NN(C)[C@@H](C)CO)CC1=O 823917019 CWAXNHCPVQYCGG-VHSXEESVSA-N 257.334 -0.411 50 20 CBGD NC(=O)CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 826390686 IZRHZYJFVWXRHB-UHFFFAOYSA-N 296.678 -0.766 50 20 CBGD O=C(NNc1ncncc1Cl)C1=NN2CCCN=C2N1 832671848 NAFVTVOXJXBBTM-UHFFFAOYSA-N 294.706 -0.449 50 20 CBGD O=C(O)c1cc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c[nH]1 833297812 JPUCARONFDEWPK-MRVPVSSYSA-N 299.308 -0.402 50 20 CBGD COCCN(C)S(=O)(=O)NNC(=O)C1CCCC1 844649223 ZBWZBAHCOKOTLT-UHFFFAOYSA-N 279.362 -0.380 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)N1 845093422 ACRFGCBHCVJHLM-JTQLQIEISA-N 297.336 -0.552 50 20 CBGD Cn1cc([C@H](O)CNS(=O)(=O)CCl)cn1 849379241 NYYLEBUIPIIIJF-SSDOTTSWSA-N 253.711 -0.431 50 20 CBGD COCCO[C@H](C)C(=O)NN=Cc1nnn(C(C)(C)C)n1 853313472 CZYYBPJCLPVXTE-SECBINFHSA-N 298.347 -0.070 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=O)c1cccnc1 854146278 IMUGGVVABRCHRH-SECBINFHSA-N 253.258 -0.496 50 20 CBGD CNC(=S)N(C)NC(=O)CCc1ccn(C)n1 854920846 JIZPUAJENYNXQQ-UHFFFAOYSA-N 255.347 -0.180 50 20 CBGD CSCC[C@H](O)C(=O)NNC(=O)c1cc[nH]n1 855357206 DHTYWAAJFQNKAT-ZETCQYMHSA-N 258.303 -0.715 50 20 CBGD C[C@]1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCOC1 858217068 JPPSAYFAOROWPX-QPUJVOFHSA-N 284.316 -0.978 50 20 CBGD CC[C@@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(F)F 858497918 KFVSVDYIOARWGN-PHDIDXHHSA-N 278.259 -0.361 50 20 CBGD CO[C@H]1CCCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858698430 ZSEITGZXNVGJTJ-IUCAKERBSA-N 284.316 -0.883 50 20 CBGD COC(=O)N(C)NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 861656552 PNDRCYHAHQNZMY-QMMMGPOBSA-N 295.299 -0.498 50 20 CBGD CCOCCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862451199 JZQZAVJIVVXBIK-QMMMGPOBSA-N 257.290 -0.771 50 20 CBGD CC[C@H](C)CC[C@H](O)CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862460025 YTZURGWMEUVQQB-GARJFASQSA-N 299.371 -0.010 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccc(O)c(F)c1 869907777 RVLFQERVZBEUKH-UHFFFAOYSA-N 286.259 -0.045 50 20 CBGD COCCN(C)NC(=O)Nc1c(C(=O)OC)cnn1C 879689845 XIHQSJQENWPCEA-UHFFFAOYSA-N 285.304 -0.179 50 20 CBGD OCC[C@H](NCc1cccc(B(O)O)c1)C(F)(F)F 895884973 MYLIZMVRDTZJJX-JTQLQIEISA-N 277.051 -0.231 50 20 CBGD CN1C(=O)CCC[C@@H]1C(=O)NNC(=O)[C@H]1CCCCO1 908517363 JOQMWWBUCMKDGJ-NXEZZACHSA-N 283.328 -0.286 50 20 CBGD COC(=O)c1ccc(C(=O)NN(C)C[C@H](C)O)cn1 910176002 XEDVRHUWWBCTGF-QMMMGPOBSA-N 267.285 -0.174 50 20 CBGD COCCN1C[C@H](C(=O)NNC(=O)CC(C)C)CC1=O 914462578 YNEZKEYNFCITAR-SNVBAGLBSA-N 285.344 -0.325 50 20 CBGD NC(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccncc2)C1 1115818750 VIUSIDRSMYFLFW-JTQLQIEISA-N 291.311 -0.367 50 20 CBGD Cc1noc(CCCC(=O)NNc2nccn(C)c2=O)n1 1318918398 IUDKMZCWCBGIIJ-UHFFFAOYSA-N 292.299 -0.062 50 20 CBGD COCCCNC(=O)NNC(=O)c1cc(C(N)=O)c[nH]1 1319006252 UHCTYENDYOWNPE-UHFFFAOYSA-N 283.288 -0.906 50 20 CBGD CCC(=O)NNS(=O)(=O)c1cnc2c(cnn2C)c1 1321443874 LVTHJIIASHVDDS-UHFFFAOYSA-N 283.313 -0.312 50 20 CBGD COCc1cc(C=NNC(=O)C(=O)NC2CC2)no1 1322407535 KGYHFANPQWYVJZ-UHFFFAOYSA-N 266.257 -0.450 50 20 CBGD C[C@@H]1COCC[C@@H]1CNC(=O)NNC(=O)C(=O)NC1CC1 1323840699 PFPNYEPWAKXEFF-RKDXNWHRSA-N 298.343 -0.732 50 20 CBGD CN(NC(=O)c1ccc(N2CCOCC2)nc1)C(N)=O 1325149870 DSHNPSFVFXDMQO-UHFFFAOYSA-N 279.300 -0.427 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H](C)S(C)(=O)=O 1334022913 NMJLLICQCJLISC-MRVPVSSYSA-N 260.315 -0.630 50 20 CBGD CCCn1cc(C(=O)NNC(=O)C(=O)N2CCCC2)nn1 1336663736 NAJPBQPEJOODKO-UHFFFAOYSA-N 294.315 -0.929 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cn(C)c(Cl)n1 1340698022 WVTVAQRBQVNTEC-UHFFFAOYSA-N 267.698 -0.804 50 20 CBGD COCCCNC(=O)NNC(=O)CCn1cnccc1=O 1343858202 LLCOQAJWPRECMT-UHFFFAOYSA-N 297.315 -1.000 50 20 CBGD CC(C)(C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1cccnc1 1348389319 UCADHDNRAOIUJK-JTQLQIEISA-N 290.323 -0.215 50 20 CBGD Cc1nc(C)c(CC(=O)NN(C)C[C@@H](C)O)c(O)n1 1354059737 UKFOLISSZSBYFM-SSDOTTSWSA-N 268.317 -0.315 50 20 CBGD C[C@@]1(C(=O)O)CCCN1C(=O)c1cccc(B(O)O)c1 1589189223 YGNMVWDBXGWOLI-ZDUSSCGKSA-N 277.085 -0.554 50 20 CBGD O=C(Cc1ccccn1)NNC(=O)[C@H]1CC(C(=O)O)=NO1 1594711299 PIIILUIRTUDQJU-SECBINFHSA-N 292.251 -0.999 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CCc1ocnc1C(=O)O 1604203119 OKJJONRUWPCKRD-ZETCQYMHSA-N 271.273 -0.351 50 20 CBGD CN(C)CC(=O)NNC(=O)C12CCC(C(=O)O)(CC1)C2 1606018197 RYPXVZMXHDPLQU-UHFFFAOYSA-N 283.328 -0.270 50 20 CBGD O=C(CC1CC1)NNC(=O)Cn1ccc(C(=O)O)n1 1608291868 GZWHFDCXLSIAEO-UHFFFAOYSA-N 266.257 -0.471 50 20 CBGD O=C(O)Cc1ccc(NNC(=O)Cn2ncnn2)cc1 1608781182 RQRBGTSQTUNXIT-UHFFFAOYSA-N 276.256 -0.557 50 20 CBGD O=C(NNC(=O)c1ccc(C(=O)O)o1)C(=O)N1CCCC1 1610699765 CZIJKDGAXQLIHQ-UHFFFAOYSA-N 295.251 -0.639 50 20 CBGD O=C(NNC(=O)c1cc(Br)c[nH]1)c1cn[nH]n1 80211715 USYBXDXOCHOGRP-UHFFFAOYSA-N 299.088 -0.030 50 20 CBGD C#CCCCC(=O)NNC(=O)CNC(=O)c1cccnc1 192154759 TWPLRIFYQDGZMH-UHFFFAOYSA-N 288.307 -0.238 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCn1cccn1 265913016 ZMQKTCKTKZCJHO-UHFFFAOYSA-N 295.343 -0.275 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(O)nc1 294230044 ZFJZBYBUNSOKJW-QMMMGPOBSA-N 251.242 -0.273 50 20 CBGD COc1ncc(/C=C\C(=O)NNC(=O)NC2CC2)cn1 492711030 SXHXIMGIRRFMPG-DJWKRKHSSA-N 277.284 -0.009 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCCN(C2CC2)CC1 584936732 LYVAKTZYJYDWIO-UHFFFAOYSA-N 288.156 -0.323 50 20 CBGD CC(C)COCCNC(=O)c1ccc(B(O)O)c(F)c1 584940838 YIEKDVPQYRRDLZ-UHFFFAOYSA-N 283.108 -0.092 50 20 CBGD CC(C)N(CCNC(=O)c1cccc(B(O)O)c1)C1CC1 584941714 BBVPOPYFYXXCTP-UHFFFAOYSA-N 290.172 -0.031 50 20 CBGD CN(CC(C)(C)O)C(=O)c1cccc(B(O)O)c1 584955349 QQVXCEIQESGVMA-UHFFFAOYSA-N 251.091 -0.791 50 20 CBGD CC(C)NC(=O)C[C@@H](C)NCc1ccc(B(O)O)cc1 585024238 VOZCKWCVSKVXAP-LLVKDONJSA-N 278.161 -0.241 50 20 CBGD OB(O)c1ccccc1CNCCOC[C@H]1CCCO1 585027592 BUXPYIRSCJMJOC-CYBMUJFWSA-N 279.145 -0.348 50 20 CBGD Cc1sc2ncn(CC(=O)NCB(O)O)c(=O)c2c1C 585058290 WTBVQHNVIFZKMO-UHFFFAOYSA-N 295.129 -0.797 50 20 CBGD O=C(Cc1ccsc1)NNC(=O)C(=O)NC1CC1 726615350 KLLUWFSQZVVJQS-UHFFFAOYSA-N 267.310 -0.283 50 20 CBGD C=CCn1nnnc1S[C@H](C)C(=O)NNC(=O)CC 731906250 VQMRFICFBRWWKL-SSDOTTSWSA-N 284.345 -0.103 50 20 CBGD O=C1CC(C(=O)NNC(=O)c2ccc(Cl)cc2O)=NN1 732274129 CNQQCERYNFGDKG-UHFFFAOYSA-N 296.670 -0.318 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cnccn1 734748339 LMBPJMLZJHVPMN-QMMMGPOBSA-N 285.329 -0.746 50 20 CBGD O=C(CC1(O)CCCCC1)NNC(=O)C(=O)N1CCCC1 746185052 FSUFMMGPQVSCFO-UHFFFAOYSA-N 297.355 -0.159 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)Cc1nc[nH]n1 746477974 KVZWBTUJBBWSMF-SECBINFHSA-N 282.348 -0.182 50 20 CBGD COCCn1cc(S(=O)(=O)NNC(=O)C(C)C)cn1 747777525 NYBDADWKJUFJSY-UHFFFAOYSA-N 290.345 -0.505 50 20 CBGD N#Cc1cccc(NNC(=O)Cn2ccc(O)nc2=O)c1 748036049 YSBILMPEWVNHGP-UHFFFAOYSA-N 285.263 -0.036 50 20 CBGD CC(=O)NNC(=O)c1ccc(C)c(S(N)(=O)=O)c1 750987804 NMUFCDWAEMZKOD-UHFFFAOYSA-N 271.298 -0.577 50 20 CBGD CN(C)c1nccc(NNC(=O)[C@H]2CCNC(=O)C2)n1 754468905 WZLOGBGTVJUWPZ-QMMMGPOBSA-N 278.316 -0.488 50 20 CBGD Cn1cc(C(=O)NNC(=O)NC[C@@]2(C)CCCO2)cn1 755232212 WFTCNMOOZKTCFI-GFCCVEGCSA-N 281.316 -0.067 50 20 CBGD Cc1oc(C(=O)NNC(=O)C(C)C)cc1S(N)(=O)=O 755624946 VTWCRBXJAOGAFR-UHFFFAOYSA-N 289.313 -0.348 50 20 CBGD CNC(=O)CN(C)[C@@H](C)C(=O)NNC(=O)CC(C)C 771794462 BKPWCFWOWKXHBQ-VIFPVBQESA-N 272.349 -0.754 50 20 CBGD O=C(CN[C@@H](CO)C1CC1)NNC(=O)c1ccc(F)cc1 771801418 JEBDATKQCOEOPB-LBPRGKRZSA-N 295.314 -0.053 50 20 CBGD CC(=NNC(=O)CO)c1ccc(S(C)(=O)=O)cc1 776783024 LGUDNIJLXNRDKO-UHFFFAOYSA-N 270.310 -0.077 50 20 CBGD C[C@H]1C(=O)N(C)CCN1CC(=O)NNC(=O)C(C)(C)C 778259134 BDYCPJUCJSCDSV-VIFPVBQESA-N 284.360 -0.658 50 20 CBGD COC(=O)CNC(=O)NN=Cc1c[nH]c(C(=O)OC)c1 779820602 GTBDABINRHTJOW-UHFFFAOYSA-N 282.256 -0.393 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cccc2nccn12 787950347 KGFXOHCPYQSXFY-UHFFFAOYSA-N 262.269 -0.134 50 20 CBGD CCC(=O)N1CCC[C@@H](C(=O)NNc2nc[nH]n2)C1 816633189 ROFZIDBMHVIPPL-MRVPVSSYSA-N 266.305 -0.104 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccn2nnnc2c1 823908333 WMNIGBZFYAPODI-ZETCQYMHSA-N 250.262 -0.918 50 20 CBGD COC(=O)N[C@H](C(=O)NN(C)[C@H](C)CO)C(C)C 823959483 JNMHQKJWWAXPKO-BDAKNGLRSA-N 261.322 -0.289 50 20 CBGD CCCNC(=O)NNC(=O)[C@H](CC(C)C)C(N)=O 840290493 DMSHJKWCJOOGJB-MRVPVSSYSA-N 258.322 -0.126 50 20 CBGD COCC1(O)CCN(S(=O)(=O)CCl)CC1 849384454 SICUFOOACCPMRB-UHFFFAOYSA-N 257.739 -0.014 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccn2nnnc2c1 855005987 KZOLYMDZJMVPJS-VXNVDRBHSA-N 290.283 -0.690 50 20 CBGD CCOC1(C(=O)NNC(=O)c2cc[nH]n2)CCOCC1 855355821 IBKJIYFLTVAYKV-UHFFFAOYSA-N 282.300 -0.244 50 20 CBGD CC(C)N(C)C[C@@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858470387 ZLRBLWHRAZNCEX-NXEZZACHSA-N 299.375 -0.676 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc(O)cc2O)N1 862457714 OVWPSSVWTQEAAQ-MRVPVSSYSA-N 279.252 -0.863 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(O)cc2F)N1 862462756 ZYDQRPGINPNCBG-VIFPVBQESA-N 281.243 -0.429 50 20 CBGD CC(C)COCCC(=O)NNC(=O)CS(C)(=O)=O 863459924 JMCFJRKXWJDTHJ-UHFFFAOYSA-N 280.346 -0.759 50 20 CBGD Cc1ccc(CC(=O)NNC(=O)CS(C)(=O)=O)cc1 863459938 UKBZMPYCWZYKOT-UHFFFAOYSA-N 284.337 -0.270 50 20 CBGD CSCCONC(=O)c1cc(B(O)O)ccc1F 863880938 JJIYUJFCMCLPMB-UHFFFAOYSA-N 273.094 -0.470 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@H]2COC[C@H]2C1 872314612 LFXQNXHOUVTKCN-PHIMTYICSA-N 261.086 -0.915 50 20 CBGD CCOCC(=O)NNC(=O)NCCN1CC[C@H](C)C1 897432249 HJTDTDNFSOZTEO-JTQLQIEISA-N 272.349 -0.305 50 20 CBGD C[C@@H]1CCN(CCNC(=O)NNC(=O)c2cnn(C)c2)C1 897435306 KFCWDLOCNXSAHA-SNVBAGLBSA-N 294.359 -0.294 50 20 CBGD C[C@@]1(C(=O)NCCn2cnnn2)C[C@H]1Br 906994522 UQMNDELRXWMKJH-HTRCEHHLSA-N 274.122 -0.037 50 20 CBGD C[C@H](O)CN(C)NC(=O)CN(C)C(=O)[C@H](C)n1cccn1 910170674 PHKNJKSQQNRCGE-QWRGUYRKSA-N 297.359 -0.754 50 20 CBGD COCCN1C[C@H](C(=O)NNC(=O)C(C)C)CC1=O 914881222 BZURWFQCJDSXAB-SECBINFHSA-N 271.317 -0.715 50 20 CBGD C[C@@H](C(=O)N(C)CC(=O)NNC(=O)C1CC1)n1cccn1 918688015 HTMUMZQGBVZOGL-VIFPVBQESA-N 293.327 -0.540 50 20 CBGD C[C@@H](C(=O)NNc1ncccn1)N1CCN(C)CC1 1318447748 BHSLKGZXRHDLHZ-JTQLQIEISA-N 264.333 -0.444 50 20 CBGD O=C(C[C@H]1CCCO1)NNC(=O)C(=O)Nc1ccccn1 1319609931 NDRWECZDYBCJKC-SECBINFHSA-N 292.295 -0.263 50 20 CBGD COc1cc(NC(=O)C(=O)NNC(=O)CCO)ccc1F 1320541351 SCEOTGWOBOWAFO-UHFFFAOYSA-N 299.258 -0.697 50 20 CBGD CCn1nccc1C=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1324381952 ULIMDWSIZCQBDT-SECBINFHSA-N 284.341 -0.212 50 20 CBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(=O)n(CC)c1 1325552437 BRNOIGQLIHLJFF-UHFFFAOYSA-N 296.283 -0.416 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ncccn1 1329673708 ZUKRMKJXHAZZOV-RKDXNWHRSA-N 279.300 -0.268 50 20 CBGD Cc1coc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1C 1351716719 OLZMOBVGVOYWNK-MRVPVSSYSA-N 265.269 -0.064 50 20 CBGD O=C(NNc1ncccn1)[C@@H]1OC[C@@H]2COCC[C@@H]21 1353457633 SROLZSYMPBBAFM-LPEHRKFASA-N 264.285 -0.029 50 20 CBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)C(C)(C)C 1520792829 CRXHCJYUCACZHA-ZJUUUORDSA-N 268.361 -0.432 50 20 CBGD CCOC(=O)[C@@H](N)C(=O)NNC(=O)C1CCCC1 1577921976 SUUGKGNBPNAHSS-QMMMGPOBSA-N 257.290 -0.786 50 20 CBGD CS(=O)(=O)c1cccc(NNC(=O)CC2(N)COC2)c1 1579351303 HSYPXUGGQWFVBB-UHFFFAOYSA-N 299.352 -0.349 50 20 CBGD NCCC(=O)NNC(=O)C[C@@H]1NC(=O)c2ccccc21 1580281905 XBKKSAALLZSUCB-JTQLQIEISA-N 276.296 -0.643 50 20 CBGD O=C(CN1CCNCC1)NNC(=O)Nc1ccccc1 1580549599 RYZHQBSLLSWMBZ-UHFFFAOYSA-N 277.328 -0.256 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccsc1-c1nn[nH]n1 1589881740 CPXGGNBLOZCWLO-ZCFIWIBFSA-N 282.329 -0.114 50 20 CBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)c1ncccn1 1592360346 USONBRFDBCLJOS-LURJTMIESA-N 252.230 -0.652 50 20 CBGD N#CCOc1cccc(CNC(=O)NNC(=O)C(=O)O)c1 1601075881 RMJPNFMVIOAHFS-UHFFFAOYSA-N 292.251 -0.496 50 20 CBGD O=C(O)[C@@H](CCC1OCCO1)NS(=O)(=O)CCl 1601644333 HFOFDZXTPDGIMH-ZCFIWIBFSA-N 287.721 -0.292 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCC[C@H](O)[C@@H]1C(=O)O 1605614891 ALTMVCSZWUVLCQ-ACMYFRETSA-N 268.269 -0.133 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccsc1C(=O)O 1610190791 QBURVNHJDVUBQD-UHFFFAOYSA-N 287.253 -0.228 50 20 CBGD COc1ccccc1OCCNC(=O)NNC(=O)C(=O)O 1610367517 FLLHKRHJSCIRKK-UHFFFAOYSA-N 297.267 -0.511 50 20 CBGD CCOC(=O)c1ncn2c(=O)n(CCCl)nnc12 28771230 IXFIBXQXPGNVJA-UHFFFAOYSA-N 271.664 -0.299 50 20 CBGD CN(C)CC(=O)NNC(=O)c1n[nH]c2ccccc2c1=O 113425431 NVSVTQIPIHLGJB-UHFFFAOYSA-N 289.295 -0.754 50 20 CBGD COCCN(CCO)S(=O)(=O)CCCCl 124031874 ATFJYAKZSXRYRC-UHFFFAOYSA-N 259.755 -0.114 50 20 CBGD CO[C@H](C)CS(=O)(=O)NNC(=O)NCc1ccco1 282201775 LUFYWWONGRFXOW-MRVPVSSYSA-N 291.329 -0.052 50 20 CBGD COC(=O)NNS(=O)(=O)c1ccc(-n2cnnn2)cc1 490966212 JHKYJAODZGPWMW-UHFFFAOYSA-N 298.284 -0.788 50 20 CBGD NC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2cccc(B(O)O)c2)C1 584914406 XCDZPVAEPZIEJA-NXEZZACHSA-N 290.128 -0.403 50 20 CBGD C[C@H](C#N)CN(C)C(=O)c1cc(B(O)O)ccc1F 584935090 YENLEYJOFBUAQU-MRVPVSSYSA-N 264.065 -0.263 50 20 CBGD N#C[C@@]1(F)CCN(C(=O)c2ccc(B(O)O)cc2)C1 584979179 MQTQHFVQMJXSJL-LBPRGKRZSA-N 262.049 -0.556 50 20 CBGD O=C(NCCC[C@@H]1CCOC1)c1ccc(B(O)O)cc1 584996210 ANIIVAYJQPGNBG-LLVKDONJSA-N 277.129 -0.087 50 20 CBGD C[C@H]1C[C@H](NC(=O)c2ccc(B(O)O)cc2)c2nccn21 584996437 HNVGRUBBSRJAKU-CABZTGNLSA-N 285.112 -0.001 50 20 CBGD O=C(N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(B(O)O)cc1 585002382 TWCYSRKKZLDRGF-MNOVXSKESA-N 299.082 -0.355 50 20 CBGD CN1CC[C@H](N(C)C(=O)c2cccc(B(O)O)c2)C1 585008622 KIVLLHBVKTTWBH-LBPRGKRZSA-N 262.118 -0.858 50 20 CBGD Cc1nc(CC(=O)NNC(=O)CN2CCCC2=O)cs1 726086809 ROLXXHWUFLLJQR-UHFFFAOYSA-N 296.352 -0.236 50 20 CBGD Cc1csc(CC(=O)NNC(=O)CN(C)CC#N)n1 727829577 HRHNERHKFGAWLN-UHFFFAOYSA-N 281.341 -0.403 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccccn1 728435436 AQQNGVGFMHWWRF-SECBINFHSA-N 284.341 -0.141 50 20 CBGD Cc1c(/C=C(\C#N)C(=O)NCc2nn[nH]n2)cc(C#N)n1C 732158307 YIENTWDRPMGEKQ-XCVCLJGOSA-N 296.294 -0.058 50 20 CBGD C#Cc1ccc(C(=O)NNC(=O)c2cnn(C)c2)nc1 735445546 ZXDZDNOLRWDWBF-UHFFFAOYSA-N 269.264 -0.129 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC1=N[C@H]2C=C[C@H]1C2 739410363 VQUWCLWJPACUAX-IUCAKERBSA-N 274.280 -0.013 50 20 CBGD O=C(NNS(=O)(=O)N1CCCC1)c1ccccc1O 740706454 YXZCTPJFYLDIMF-UHFFFAOYSA-N 285.325 -0.033 50 20 CBGD COC[C@@H](NC(=O)NNC(=O)C(=O)NC1CC1)C(C)C 745850295 UNWVNJARAFFEQQ-SECBINFHSA-N 286.332 -0.734 50 20 CBGD Cn1cc(/C=C/C(=O)NNC(=O)C(=O)N2CCCC2)cn1 748247684 UPTNIIQTIGAOOI-SNAWJCMRSA-N 291.311 -0.797 50 20 CBGD CN(C)CC(=O)NNC(=O)CCOC1CCOCC1 753340901 HKISVFTUEZJGJU-UHFFFAOYSA-N 273.333 -0.719 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H]1CCOC1 753628904 RCKQTAPGBOPUJC-DTWKUNHWSA-N 272.301 -0.098 50 20 CBGD CCC1(C(=O)NNC(=O)c2cnn(C)c2)COC1 755326594 MPKUYQPZSIWREP-UHFFFAOYSA-N 252.274 -0.392 50 20 CBGD Cn1c(C(=O)NNC(=O)c2ccncc2)cccc1=O 756847697 UXXWRUUFYZZOGQ-UHFFFAOYSA-N 272.264 -0.145 50 20 CBGD CC(CS(C)(=O)=O)=NNC(=O)c1cc(C)[nH]n1 764796489 IJTVVADTJMQQFI-UHFFFAOYSA-N 258.303 -0.132 50 20 CBGD CC(=O)NNC(=O)C1=NN(CC(C)C)C(=O)CC1 766632876 YPESXPYDJQQGST-UHFFFAOYSA-N 254.290 -0.212 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CSc1n[nH]c(CO)n1 767081330 DNZZDZHVJNQRQM-UHFFFAOYSA-N 287.345 -0.417 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)C2CCC2)nn1 768484298 GZZIODHGIOHNLG-UHFFFAOYSA-N 251.246 -0.387 50 20 CBGD CN(NC(=O)c1ccc(-n2cccn2)nc1)C(N)=O 778414600 GJHVTWOACZMXHH-UHFFFAOYSA-N 260.257 -0.077 50 20 CBGD COCCCCC(=O)NNC(=O)N1CCN(C)CC1 788168851 GDSZYYXTZDZNGL-UHFFFAOYSA-N 272.349 -0.209 50 20 CBGD Cn1cc(C(=O)NNC(=O)C[C@@H]2CCCOC2)cn1 793528543 UXALMENOVCPEHG-VIFPVBQESA-N 266.301 -0.002 50 20 CBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)CNc1ccccc1 806355113 MXNCCXZWVNXIGK-LLVKDONJSA-N 290.323 -0.133 50 20 CBGD C[C@H](CC(=O)NNC(=O)CN(C)C)n1cccn1 819876174 RLUHJPSHALVBDW-SECBINFHSA-N 253.306 -0.457 50 20 CBGD CCS(=O)(=O)NCCCNS(=O)(=O)CCl 820789381 CHFZUTATZUSRLT-UHFFFAOYSA-N 278.783 -0.569 50 20 CBGD CNC(=O)c1ccc(C(=O)NN(C)C[C@H](C)O)cn1 823833581 YLHMYCMBQJERNJ-QMMMGPOBSA-N 266.301 -0.601 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cncc(-n2ccnn2)c1 823922133 HTRPIMXCBZDKEO-VIFPVBQESA-N 276.300 -0.380 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1ccc(CO)cc1 824621928 ZCMKBYBTNFQTSZ-UHFFFAOYSA-N 279.296 -0.135 50 20 CBGD N#CCCN1CCN(C(=O)c2cccc(B(O)O)c2)CC1 827478712 HJVSLICSPVXGEB-UHFFFAOYSA-N 287.128 -0.962 50 20 CBGD O=C(COCc1ccccc1)NNC(=O)[C@H]1CC(=O)N1 828318917 FLLDPDZQAMUDCS-SNVBAGLBSA-N 277.280 -0.761 50 20 CBGD O=C(NNc1ncc(F)cn1)[C@@H]1CCc2nnnn2CC1 845894753 IQFWXZSEHLRGAO-SSDOTTSWSA-N 292.278 -0.302 50 20 CBGD CN1CCN(C(=O)NNC(=O)C2CCCC2)CC1=O 846716065 VVUQOGDROIZRPJ-UHFFFAOYSA-N 268.317 -0.309 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCS1(=O)=O)c1ccncc1 847281211 WSMNVILBKSRYEV-VIFPVBQESA-N 283.309 -0.580 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=O)c1ccncc1 854118518 JIKNVJPCEPZEAP-SECBINFHSA-N 253.258 -0.496 50 20 CBGD COCC1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCC1 858425742 JTBJKGUQRNCNQK-VIFPVBQESA-N 298.343 -0.588 50 20 CBGD CCC/C(C)=C\C(=O)NNC(=O)CS(C)(=O)=O 863460216 ONGDWZFPYFYQBQ-VURMDHGXSA-N 262.331 -0.075 50 20 CBGD C#CC(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 891767603 JFONJSJVFVISQB-AOOOYVTPSA-N 253.302 -0.734 50 20 CBGD CO[C@@H](C(=O)O)C(=O)N1C[C@H]2[C@H](Br)[C@H]2C1 902741430 REGXUKZSVQSGCD-JRTVQGFMSA-N 278.102 -0.062 50 20 CBGD CN(CC(=O)NNC(=O)CN1CCCC1=O)C1CCC1 913733498 LCTGFSNYGQARKU-UHFFFAOYSA-N 282.344 -0.760 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ccnnc2)CC1 1261092544 GLZGWAWCLCCUIC-UHFFFAOYSA-N 264.289 -0.922 50 20 CBGD Cc1nccc(CCC(=O)NNc2cnnn2C)n1 1261772615 DDOYZXVZKYBPPK-UHFFFAOYSA-N 261.289 -0.011 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCCn1ccnc1C 1319300545 YGFPICVLDULKQA-UHFFFAOYSA-N 283.288 -0.915 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cn(C)nc1C(F)(F)F 1321265911 LOHRMYIPONXYIH-UHFFFAOYSA-N 293.205 -0.455 50 20 CBGD COc1coc(C(=O)NNC(=O)c2c[nH]nc2C)cc1=O 1322584554 BHYIWAYFJZHNTO-UHFFFAOYSA-N 292.251 -0.245 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)[C@@H]3CCCOC3)nc21 1322739801 VLUHKGPDWDXKPU-SSDOTTSWSA-N 292.299 -0.061 50 20 CBGD CCn1nc(C(=O)NN(C)C(=O)OC)ccc1=O 1323260526 JRYFANHPEVBKEW-UHFFFAOYSA-N 254.246 -0.394 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@H]1COCCO1 1323465845 NSDSPNWTKHMCKZ-SNVBAGLBSA-N 265.269 -0.813 50 20 CBGD C=CCNC(=S)NNC(=O)CCCCC(=O)NC 1325108110 OHAKCWMIZQGGBG-UHFFFAOYSA-N 272.374 -0.026 50 20 CBGD COCCCNC(=S)N(C)NC(=O)c1ccnnc1 1328625611 MLMAGOATKKIMSX-UHFFFAOYSA-N 283.357 -0.036 50 20 CBGD CC(C)C[C@H](CO)NC(=O)NNC(=O)c1cn[nH]c1 1328731750 RAZSTYOEMWZKFH-SECBINFHSA-N 269.305 -0.239 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCCN2CCC[C@H]2C1 1329259442 MDXGSHUDRBRPAZ-AWEZNQCLSA-N 288.156 -0.323 50 20 CBGD COCn1ccc(C(=O)NNC(=O)c2cnn(C)c2)n1 1330451770 UOLBXGUXFDOCQN-UHFFFAOYSA-N 278.272 -0.705 50 20 CBGD COCC(=O)NCCC(=O)NNc1cccc(C)n1 1331805158 FVQKROOPCDDXGS-UHFFFAOYSA-N 266.301 -0.014 50 20 CBGD O=C(NNC(=O)C1CCOCC1)c1csnn1 1332353329 ZFLJJFNIYZVCJC-UHFFFAOYSA-N 256.287 -0.274 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2c(CO)noc2C)n[nH]1 1332888470 CSEZESJTGUZRSC-UHFFFAOYSA-N 279.256 -0.418 50 20 CBGD CC(=O)c1c[nH]c(C(=O)NNC(=O)CS(C)(=O)=O)c1 1335365465 APYJBYKPAKGBQS-UHFFFAOYSA-N 287.297 -0.977 50 20 CBGD COCCN(C)NC(=O)c1cc2c(=O)[nH]c(C)cn2n1 1348623638 PUTNATCWDXIYHB-UHFFFAOYSA-N 279.300 -0.446 50 20 CBGD CC(=NNC(=O)CS(C)(=O)=O)c1cn(C)cn1 1348851264 ZLORWIOSQKVMBE-UHFFFAOYSA-N 258.303 -0.695 50 20 CBGD CCOc1cc(C(=O)NNC(=O)NC2CC2)[nH]n1 1350605539 LKPMLDPBAWPWHO-UHFFFAOYSA-N 253.262 -0.085 50 20 CBGD C[C@H](O)CN(C)NC(=O)Cc1nc2ncccn2n1 1350777973 GXXPKZJFEWMAEI-QMMMGPOBSA-N 264.289 -0.989 50 20 CBGD CC1(C)CNC[C@@H]1NC(=O)NNC(=O)C1CCOCC1 1576471887 FCURMAQWDWVYEF-JTQLQIEISA-N 284.360 -0.259 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccc(-c2nn[nH]n2)c(O)c1 1590001304 WSKKJSUVJPCSBS-SSDOTTSWSA-N 292.299 -0.470 50 20 CBGD CC(C)(O)[C@H](O)C(=O)NNc1ccccc1C(=O)O 1590889717 ZRZNTTVVUZXQES-SECBINFHSA-N 268.269 -0.040 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNC(=O)c1ccc(C)cc1O 1593911745 RFSRBCOSNNUMIB-VIFPVBQESA-N 282.252 -0.439 50 20 CBGD COc1ccnc(NNC(=O)c2cc(C(=O)O)n[nH]2)n1 1594151245 ZGESRIFEXRUHJK-UHFFFAOYSA-N 278.228 -0.337 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cnn[nH]2)oc1C(=O)O 1600095674 QNDMKUKIGOLRHG-UHFFFAOYSA-N 279.212 -0.521 50 20 CBGD C=C(CCC(=O)O)C(=O)NNC(=O)N1CCN(C)CC1 1602783175 CSNGVFYJDAGNKG-UHFFFAOYSA-N 284.316 -0.604 50 20 CBGD COC(=O)NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 54848713 VWCMNRUOALLALL-UHFFFAOYSA-N 296.239 -0.288 50 20 CBGD Cc1cc(C)n2nc(C)c(C(=O)NNC(=O)CO)c2n1 182761195 WMXJFOJFOSBBIV-UHFFFAOYSA-N 277.284 -0.592 50 20 CBGD CCNS(=O)(=O)NNC(=O)COc1ccccc1O 265502946 NODNDXWPFZQWGN-UHFFFAOYSA-N 289.313 -0.754 50 20 CBGD CN1C[C@@H](NC(=O)NNC(=O)Cc2ccncc2)CC1=O 267517636 SKQKDQCUONFDKC-JTQLQIEISA-N 291.311 -0.815 50 20 CBGD NC(=O)c1ccc(NNC(=O)C[C@@H]2CCCCO2)nn1 268231281 LBARENNXCJKSOO-QMMMGPOBSA-N 279.300 -0.022 50 20 CBGD CC[C@@H](OC)C(=O)NNC(=O)CNC(=O)c1cccnc1 268895554 XUKZHDDXTUYHGB-SNVBAGLBSA-N 294.311 -0.616 50 20 CBGD CN(NC(=O)C(=O)NCCCc1ccccc1)C(N)=O 272222505 UFUOJOPPPFOTRC-UHFFFAOYSA-N 278.312 -0.223 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CC(=O)N(CCOC)C1 272683591 OIYNAEWGBOFYRS-SECBINFHSA-N 286.332 -0.826 50 20 CBGD CC(=O)NNC(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1 281086381 DHVJJRGZDXFCKI-MRVPVSSYSA-N 271.273 -0.360 50 20 CBGD C=CCNC(=S)NNC(=O)CS(=O)(=O)CCC 281289065 QQZJDNOYQBLEMA-UHFFFAOYSA-N 279.387 -0.508 50 20 CBGD COC(=O)N(C)NC(=O)[C@H](NC(N)=O)C(C)(C)C 286231943 GBXRYHPACIKJOU-LURJTMIESA-N 260.294 -0.201 50 20 CBGD O=C(NNc1nnc[nH]1)[C@@H]1COCCN1C1CCCC1 294080887 YYXQARJVSVAEOR-JTQLQIEISA-N 280.332 -0.109 50 20 CBGD COC(=O)NNC(=O)CCS(=O)(=O)CC(C)C 495326911 SRKCNAIHMDJKOE-UHFFFAOYSA-N 266.319 -0.166 50 20 CBGD C[C@H](NC(=O)C1CCC1)C(=O)Nc1cccc(B(O)O)c1 584909667 HLZUPPCAJDBPLY-VIFPVBQESA-N 290.128 -0.390 50 20 CBGD CCCN(CC)CCNC(=O)c1cc(B(O)O)ccc1F 584953579 AIAUHSLHJLGYQO-UHFFFAOYSA-N 296.151 -0.033 50 20 CBGD C[C@H]1CC[C@@H](CO)CN1C(=O)c1cccc(B(O)O)c1 584967247 HJSZZVRPNCORPD-WDEREUQCSA-N 277.129 -0.401 50 20 CBGD CC(C)C1(O)CN(C(=O)c2cccc(B(O)O)c2)C1 584983132 PNQFVHGKHJWEHG-UHFFFAOYSA-N 263.102 -0.791 50 20 CBGD CO[C@H](C)[C@@H](C)NC(=O)c1cccc(B(O)O)c1 584991089 UKVWQTWKFHQVOW-RKDXNWHRSA-N 251.091 -0.480 50 20 CBGD CC[C@H]1CN(C)CCN1C(=O)c1cccc(B(O)O)c1 584995730 YGFKELJTJMGSAC-ZDUSSCGKSA-N 276.145 -0.467 50 20 CBGD COCCN1CCC(CNCc2ccc(B(O)O)o2)CC1 585020408 VZUDSGHAXFQKOE-UHFFFAOYSA-N 296.176 -0.593 50 20 CBGD COCCN1CC[C@H](NCc2ccc(B(O)O)cc2F)C1 585028291 IVROXBKRAQACHV-ZDUSSCGKSA-N 296.151 -0.684 50 20 CBGD C[C@@H]1CN(C2CC2)C[C@H]1NCc1cccc(B(O)O)c1 585029165 WIWCPZMRGCQOFE-IAQYHMDHSA-N 274.173 -0.061 50 20 CBGD CC(C)(C)[C@@H](O)C[C@H](CO)NCc1ccc(B(O)O)o1 585042845 WBEJAPQDXSLTGM-KOLCDFICSA-N 285.149 -0.793 50 20 CBGD C[C@H]1NC(=O)CC[C@@H]1CNCc1ccc(B(O)O)cc1 585045515 BSOPLNGSCHQVPT-ZYHUDNBSSA-N 276.145 -0.629 50 20 CBGD CO[C@@H](C)Cc1nc(-c2ccc(B(O)O)cc2)no1 585051135 VCOFCLCNSIBNKK-QMMMGPOBSA-N 262.074 -0.006 50 20 CBGD Cc1ccc(Cl)c(S(=O)(=O)NCB(O)O)c1 585056171 PURPJQYVARXKJW-UHFFFAOYSA-N 263.511 -0.061 50 20 CBGD CC[C@@H](CS(=O)(=O)N1CC[C@H](B(O)O)C1)OC 585056238 LHQHPZXYMYLLLW-IUCAKERBSA-N 265.140 -0.710 50 20 CBGD Cc1cccc(N2C[C@@H](C(=O)NCB(O)O)CC2=O)c1C 585058731 OEAXEWSPQPNTFJ-NSHDSACASA-N 290.128 -0.215 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc(C2CC2)cc1 585059674 WPXMWHNMOCUQQV-UHFFFAOYSA-N 255.104 -0.146 50 20 CBGD COc1cccc([C@H](OC)C(=O)NCB(O)O)c1 585063157 SRNPGOLSYPTYRX-JTQLQIEISA-N 253.063 -0.489 50 20 CBGD CC1(C(=O)NNC(=O)N2CCOCC2)CCOCC1 726770918 NVNPTEDHPMKZDK-UHFFFAOYSA-N 271.317 -0.124 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCc2nc(C)nn2C1 731282668 UXUBOGUJENMZKV-SECBINFHSA-N 296.331 -0.732 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)c1ccncc1 732049117 OUHKNNKPVJCIMV-LBPRGKRZSA-N 272.308 -0.060 50 20 CBGD CCCCNC(=O)NNS(=O)(=O)c1cnc[nH]1 736537108 KHMVJVJKNQFVEG-UHFFFAOYSA-N 261.307 -0.298 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)[C@@H]1COCCO1 744450792 BWJVXRAJSOWSAH-YFKPBYRVSA-N 271.195 -0.706 50 20 CBGD COc1cccc(C(=O)NNC(=O)CN(C)C)n1 752797177 OMPQBGCPDORWTM-UHFFFAOYSA-N 252.274 -0.587 50 20 CBGD CCn1ccnc1C=NNC(=O)CN1CCCC1=O 755587500 PVHACKASGZUQEI-UHFFFAOYSA-N 263.301 -0.025 50 20 CBGD Cc1ccc(NNC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)nn1 759772807 BBRJRKIPFLPXSJ-BDAKNGLRSA-N 294.315 -0.556 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C1CCC1)[C@@H]1CN(C)CCO1 770116269 FFRFOBKHZKUMQZ-KOLCDFICSA-N 284.360 -0.164 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)CCC(=O)OCC 782478211 JZPPVSCXKWTMKU-UHFFFAOYSA-N 281.334 -0.565 50 20 CBGD O=C(CN[C@H]1CCC[C@H]1CCO)NNC(=O)C1CC1 794576237 IPLVHMPCWGNVHQ-ONGXEEELSA-N 269.345 -0.316 50 20 CBGD Cn1c(C(=O)NNC(=O)N=c2cc[nH]cc2)cccc1=O 802024688 UKFYMJKFSURFSF-UHFFFAOYSA-N 287.279 -0.331 50 20 CBGD CCC[C@@H](C(=O)NNC(=O)c1ccccc1)S(N)(=O)=O 816816962 NUYPPKAXLASBAS-JTQLQIEISA-N 299.352 -0.095 50 20 CBGD COc1ccnc(NNC(=O)Cc2n[nH]c(C)n2)n1 821482085 VOCJAYVRHRBKME-UHFFFAOYSA-N 263.261 -0.402 50 20 CBGD CCN(CCO)NC(=O)[C@@H](C)NC(=O)c1ccoc1 823852480 IGQHIBNZPWFYKX-SECBINFHSA-N 269.301 -0.257 50 20 CBGD CCN(CCO)NC(=O)COc1ccc(CO)cc1 823884939 PIQWJCGAHKYJLG-UHFFFAOYSA-N 268.313 -0.097 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@]1(C)CCNC1=O)C1CC1 824328983 YWXXSEBJEAHMQH-JMCQJSRRSA-N 284.385 -0.194 50 20 CBGD CCO[C@@H]1COC[C@H]1NCC(=O)NNC(=O)C(C)(C)C 832455348 DSTGVDZBPUUQPP-NXEZZACHSA-N 287.360 -0.427 50 20 CBGD Cn1ccc(CC(=O)NNC(=O)[C@@H]2CCCCO2)n1 843601480 NGRNTCYYVQXVFD-JTQLQIEISA-N 266.301 -0.321 50 20 CBGD CCCS(=O)(=O)CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843648617 RGHCQMNFFTWMHO-BDAKNGLRSA-N 292.357 -0.616 50 20 CBGD CNC(=S)N(C)NC(=O)C1(COC)CCOCC1 854921504 SRVQVPKTBKBXBD-UHFFFAOYSA-N 275.374 -0.103 50 20 CBGD CNC(=S)N(C)NC(=O)CN(C)C(=O)C1CC1 854923635 CLXMZFVUOOVISC-UHFFFAOYSA-N 258.347 -0.678 50 20 CBGD NC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)c2cc[nH]n2)C1 855356189 HYIVWZKPVDUUJZ-SFYZADRCSA-N 279.300 -0.538 50 20 CBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)OCC(F)(F)F 856022637 JISPIEWXNKTQLP-YFKPBYRVSA-N 283.206 -0.073 50 20 CBGD C[C@H](NNC(=O)[C@H](C)S(C)(=O)=O)C(F)(F)F 862308950 HDITZNZFUDMMTO-WHFBIAKZSA-N 262.253 -0.009 50 20 CBGD O=C(NC[C@H]1CCC=CO1)c1cccc(B(O)O)c1 863880076 MSEAPTGWYZZDOK-GFCCVEGCSA-N 261.086 -0.211 50 20 CBGD CC(C)C(=O)NCCNC(=O)NNC(=O)c1cnn(C)c1 1116092336 PJVRVVNAYTWIJO-UHFFFAOYSA-N 296.331 -0.864 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNc1nccn(C)c1=O 1116456881 AEZIOUPRUIDBAS-HTQZYQBOSA-N 252.274 -0.352 50 20 CBGD COCCCNC(=S)N(C)NC(=O)c1cccc[n+]1[O-] 1118609521 PKVHSVBACIHWKF-UHFFFAOYSA-N 298.368 -0.192 50 20 CBGD Nc1cnnc(NNC(=O)[C@@H]2CC(=O)N2)c1Cl 1118674577 MGJPHLZYKKHEIZ-BYPYZUCNSA-N 256.653 -0.956 50 20 CBGD CO[C@@H](C)CNC(=O)NNC(=O)C(=O)Nc1ccccn1 1261665492 MYQWFUOEIUWXHX-QMMMGPOBSA-N 295.299 -0.615 50 20 CBGD C[C@H](C[S@@](C)=O)NC(=O)NNC(=O)Cc1ccncc1 1320943752 GJPFJRWDVPSTLC-GSDQLPOLSA-N 298.368 -0.279 50 20 CBGD Cc1cccc(C(=O)NNS(=O)(=O)c2cnn(C)c2)n1 1322456540 RZXYMVCVOJSWPU-UHFFFAOYSA-N 295.324 -0.253 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1C[C@H](OC)C1(C)C 1323666990 DKEUZXBQKLKROY-RQJHMYQMSA-N 273.289 -0.697 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(O)nn1 1324511169 JJFHAMIOZFIWOT-QMMMGPOBSA-N 266.257 -0.488 50 20 CBGD CCc1[nH]ccc1C(=O)NNC(=O)C(=O)NC1CC1 1324568618 HSIPUGMYUKQCGP-UHFFFAOYSA-N 264.285 -0.383 50 20 CBGD NCCCCCCNC(=O)NNC(=O)C(=O)NC1CC1 1326810067 JHSHEAMCOBQONC-UHFFFAOYSA-N 285.348 -0.886 50 20 CBGD C[C@H](CN1CCCC1=O)NC(=O)NNC(=O)c1cn[nH]c1 1329734798 IJGBTLSPFPJUDE-MRVPVSSYSA-N 294.315 -0.635 50 20 CBGD CS/C=C\C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1331365578 WLMIYBHTERTJLN-DQZUBPPWSA-N 293.370 -0.619 50 20 CBGD Cc1nnc2n1C[C@@H](C(=O)NN(C)C[C@H](C)O)CC2 1332148241 KPZXSCGGALLDQY-WPRPVWTQSA-N 267.333 -0.507 50 20 CBGD C/C(Cl)=C/C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1333993075 FEAKHMIDIOWWCY-FXXDRWHHSA-N 280.733 -0.289 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CCCS(=O)(=O)C1 1334440234 IXNZTXPSPNLROX-SSDOTTSWSA-N 279.387 -0.722 50 20 CBGD CN1C[C@@H](NC(=O)NNc2ncncc2Cl)CC1=O 1341622611 PVYHKMJRQBXSKB-LURJTMIESA-N 284.707 -0.013 50 20 CBGD Cn1cc(C2=NO[C@H](C(=O)NNC(=O)C3CCC3)C2)cn1 1357914116 SKSAWAIELHPLKD-NSHDSACASA-N 291.311 -0.139 50 20 CBGD N#CC1=CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC1 1362314993 MTMBIUVKBKXIMP-UHFFFAOYSA-N 281.297 -0.647 50 20 CBGD C[C@H](N)[C@@H](C)NC(=O)NNC(=O)c1cnsn1 1576104736 HKYFHSHJCOIRCO-CRCLSJGQSA-N 258.307 -0.782 50 20 CBGD COc1cncc(C(=O)NNC(=O)CCCCCN)n1 1579321598 BYPJVRCBORTEFJ-UHFFFAOYSA-N 281.316 -0.235 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2C[C@@H](N)C2(C)C)n[nH]1 1579565218 DNBFQBRCGJMIOI-VXNVDRBHSA-N 265.317 -0.147 50 20 CBGD CCc1nc(-c2nn[nH]n2)cc(N2CC[C@H](B(O)O)C2)n1 1590905765 MVOIQPOPGZEHNS-ZETCQYMHSA-N 289.108 -0.728 50 20 CBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)N1CCN(C)CC1 1594228148 LKPUDWNTCBDHLE-PELKAZGASA-N 284.316 -0.915 50 20 CBGD O=C(NC[C@H](F)C(=O)O)NNC(=O)[C@@H]1CCCS1 1601522079 WWPPGPNWQPHSKY-WDSKDSINSA-N 279.293 -0.365 50 20 CBGD O=C(O)CCCN1CCC(=NNC(=O)CCO)CC1 1601990015 IDQYUDIREYTYKJ-UHFFFAOYSA-N 271.317 -0.198 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1coc(-c2nn[nH]n2)c1 1603699276 FSHZWSSTBSADIN-ZCFIWIBFSA-N 266.261 -0.583 50 20 CBGD O=C(O)COCC(=O)NNc1ncncc1Cl 1606272875 LQFOYZPXRHHNGN-UHFFFAOYSA-N 260.637 -0.326 50 20 CBGD COc1ccnc(NNC(=O)c2ccc(=O)n(C)n2)n1 46363624 VUNUZYDHDOTICY-UHFFFAOYSA-N 276.256 -0.664 50 20 CBGD CC(C)NC(=O)NNS(=O)(=O)c1cnn(C)c1 49463284 QWGVSDAOHRRTLK-UHFFFAOYSA-N 261.307 -0.679 50 20 CBGD C[C@H]1C[C@H]1C(=O)NNC(=O)CNC(=O)c1cccnc1 122263819 VFGQHHFLQCDEKE-WCBMZHEXSA-N 276.296 -0.385 50 20 CBGD Cn1c(=O)ccn(CC(=O)NNc2ccnc(F)c2)c1=O 182489431 XCFHPQJMGISCKB-UHFFFAOYSA-N 293.258 -0.776 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@]1(C)CCCOC1 272694938 HHFASBCSDZBFGG-LBPRGKRZSA-N 271.317 -0.525 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H](O)CCSC 281388791 XTEVOCANOKGBLP-ZETCQYMHSA-N 263.388 -0.218 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)C2CC2)[nH]1 292369043 SDEXSHCUASPBFU-UHFFFAOYSA-N 251.242 -0.028 50 20 CBGD O=S(=O)(CCCCCl)N1C[C@@H](O)[C@@H](CO)C1 316482854 ZKXYGSXZBWCSFY-RKDXNWHRSA-N 271.766 -0.380 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)c2cccc(C)n2)C1 373621207 FMMQRTLLEYIHOW-LBPRGKRZSA-N 292.339 -0.128 50 20 CBGD C[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@H]1CCOC1 584949333 DNKNEZJULUBJQN-SCZZXKLOSA-N 281.092 -0.340 50 20 CBGD C[C@@H](O)CCN(C)C(=O)c1ccc(B(O)O)c(F)c1 584957517 PFQLXBNWGSGDDP-MRVPVSSYSA-N 269.081 -0.652 50 20 CBGD C=CCCOCCNC(=O)c1ccc(B(O)O)cc1 584966470 AVENOPIPXGUNOO-UHFFFAOYSA-N 263.102 -0.311 50 20 CBGD CC[C@]1(CO)CCCN(C(=O)c2cccc(B(O)O)c2)C1 584973282 FPYJBIBFDJNKGQ-HNNXBMFYSA-N 291.156 -0.009 50 20 CBGD O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)c1ccc(B(O)O)cc1 584978570 AEUUCYVOMMKDGI-JHJVBQTASA-N 275.113 -0.336 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@@H]2C[C@@H]2C1 585005185 AIZZAXVZXSIYQE-RKDXNWHRSA-N 263.077 -0.013 50 20 CBGD CCO[C@H]1COCC[C@H]1NCc1ccc(B(O)O)o1 585034354 IJQJHSRQFRTWFW-MNOVXSKESA-N 269.106 -0.757 50 20 CBGD Cc1noc([C@H](C)NCc2ccc(B(O)O)o2)n1 585037672 GMVNQZTYKVQEJZ-LURJTMIESA-N 251.051 -0.498 50 20 CBGD OB(O)c1ccccc1CNCC[C@]1(O)CCCOC1 585045574 IZWRTXNQMPNAFG-CQSZACIVSA-N 279.145 -0.612 50 20 CBGD O=C(NCB(O)O)c1cc(I)c[nH]1 585059778 BBYKCGMKGHDUSC-UHFFFAOYSA-N 293.857 -0.639 50 20 CBGD COC[C@H](C)NC(=O)NNC(=O)CNC(=O)c1ccco1 726081571 DDZHXGGDAZYUFO-QMMMGPOBSA-N 298.299 -0.625 50 20 CBGD CS(=O)(=O)N1CCC[C@@H]1C(=O)NNc1cccnn1 736698197 DZXPMOMAJFRHBL-MRVPVSSYSA-N 285.329 -0.656 50 20 CBGD CCn1cnnc1SCC(=O)NNC(=O)C1CC1 742451207 NILZTZCDSATXNB-UHFFFAOYSA-N 269.330 -0.053 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=O)c1ccccn1 754975862 DZJSTFRWFCBARG-NSHDSACASA-N 253.258 -0.760 50 20 CBGD COC[C@H](C)CC(=O)NNC(=O)c1cnn(C)c1 755325265 GDHUEHLZTLBJOC-MRVPVSSYSA-N 254.290 -0.146 50 20 CBGD CN(C)S(=O)(=O)CCC(=O)NNc1cnccn1 775281814 XUOSCHRYXXUGEG-UHFFFAOYSA-N 273.318 -0.799 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@]1(O)CCSC1 798306600 NCQPWDDWZMAOPG-SECBINFHSA-N 261.372 -0.464 50 20 CBGD COC(=O)C[C@H](C)C(=O)NNC(=O)N=c1cc[nH]cc1 802033746 MGPDBAQPBOUWNJ-QMMMGPOBSA-N 280.284 -0.145 50 20 CBGD O=C(CO)NNC(=O)c1c[nH]nc1-c1ccccn1 810919228 URICZEMRJABMNN-UHFFFAOYSA-N 261.241 -0.775 50 20 CBGD CNS(=O)(=O)c1ccc(C)c(C(=O)NNC(C)=O)c1 811918506 VHTQHYBMJKKTKV-UHFFFAOYSA-N 285.325 -0.316 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=CC1(C)COC1 814835463 RFDDKEYZQJDTKQ-SSDOTTSWSA-N 263.319 -0.937 50 20 CBGD O=C(NNC(=O)[C@H]1CCCS(=O)(=O)C1)c1ccc[nH]1 816824331 WANFAFXYDNMSSS-QMMMGPOBSA-N 285.325 -0.400 50 20 CBGD C[C@H](CO)N(C)NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 823993588 SZLGPPZZKGYJRV-GMTAPVOTSA-N 297.355 -0.495 50 20 CBGD Cc1nc[nH]c1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 824016975 XFECAYHMVPZLAK-JGVFFNPUSA-N 252.274 -0.096 50 20 CBGD CO[C@@H]1COC[C@@H]1NC(=O)NNC(=O)CC(C)C 838778646 KFSXRTFZHQRWFS-DTWKUNHWSA-N 259.306 -0.223 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(CC(C)C)C(=O)C1 839565419 FPXROCZTMSTFIR-NSHDSACASA-N 298.387 -0.268 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cn1cccn1 843645091 QKWDRFFNGWMLIX-IUCAKERBSA-N 252.274 -0.545 50 20 CBGD CCONC(=O)CNC(=O)NNC(=O)c1ccccc1F 845539714 ZPRAIXRWLJLXBP-UHFFFAOYSA-N 298.274 -0.163 50 20 CBGD CC[C@@H](CO)NC(=O)NNC(=O)c1cccc(F)n1 852710429 PIEOVDHIXVBVDI-ZETCQYMHSA-N 270.264 -0.064 50 20 CBGD CSC(C)(C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 854294656 IMRJDTXQWUCAOJ-SSDOTTSWSA-N 294.398 -0.290 50 20 CBGD CSSCCNC(=O)c1cnn(C[C@H](O)CO)c1 854393669 IFQQCGFFHGMIBB-VIFPVBQESA-N 291.398 -0.023 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H]1CCN(CC2CC2)C1 858234908 JVTHHRXUEBNFSS-NSHDSACASA-N 292.343 -0.162 50 20 CBGD C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NNC(=O)c1cn[nH]c1 858296660 SHTRFQYHFVPVQW-KCJUWKMLSA-N 292.343 -0.164 50 20 CBGD C[C@@H](COCC1CC1)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858588650 LOELKLAWKFBGPO-WPRPVWTQSA-N 298.343 -0.590 50 20 CBGD COc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 862456197 NHFRJCHCYUZDPM-QMMMGPOBSA-N 278.268 -0.870 50 20 CBGD CO[C@@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(C)C 862462656 ZKJWBAUKDXTREH-IONNQARKSA-N 257.290 -0.917 50 20 CBGD CC(C)[C@@H](C)C(=O)NNC(=O)CS(C)(=O)=O 863463731 RVEHESNWLFUVIJ-SSDOTTSWSA-N 250.320 -0.530 50 20 CBGD COC(=O)CCCC(=O)NNC(=O)c1cn[nH]c1 863934599 FJGWQNXSFRVMBH-UHFFFAOYSA-N 254.246 -0.486 50 20 CBGD COC(=O)N(C)NC(=O)NCCN1CCOCC1 864409037 NSUDRINHDPJERR-UHFFFAOYSA-N 260.294 -0.769 50 20 CBGD COCCOCC(=O)NNC(=O)Cc1ccn(C(C)C)n1 869910517 UCDJBWOTFMPANB-UHFFFAOYSA-N 298.343 -0.183 50 20 CBGD COC(=O)N(C)NC(=O)NCCN1CCO[C@H](C)C1 875195511 SQOBLTWSSREEBB-SECBINFHSA-N 274.321 -0.381 50 20 CBGD C#CCCCC(=O)NNS(=O)(=O)c1cnn(C)c1 901966123 MAUHREVCIQHAEH-UHFFFAOYSA-N 270.314 -0.467 50 20 CBGD C[C@H](O)CN(C)NC(=O)C1(S(C)(=O)=O)CCCC1 910163415 CDHNTXLFXQFHJV-VIFPVBQESA-N 278.374 -0.312 50 20 CBGD CN(CCO)CCNC(=O)/C(C#N)=C\c1cnn(C)c1 925004632 JNWLAXAXMXJAJI-GHXNOFRVSA-N 277.328 -0.633 50 20 CBGD CC(C)C1(C(=O)NNC(=O)N2CCOCC2)COC1 931113036 AMXUKBFDGFRWFZ-UHFFFAOYSA-N 271.317 -0.268 50 20 CBGD Cn1cnc(/C=C\C(=O)NNC(=O)C(=O)N2CCCC2)c1 931246926 FWTUSNGWCHXIRL-PLNGDYQASA-N 291.311 -0.797 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1nccs1 1116181647 DHJVNKXZASAQIL-UHFFFAOYSA-N 258.259 -0.854 50 20 CBGD CN1C(=O)CCC[C@@H]1C(=O)NNc1ccn(C)n1 1120071238 HJHYJXRECYORKQ-MRVPVSSYSA-N 251.290 -0.126 50 20 CBGD O=C(CNC(=O)NNC(=O)c1cccc(F)n1)NC1CC1 1261642604 OMMCIYUKLLBYSF-UHFFFAOYSA-N 295.274 -0.557 50 20 CBGD COCCn1nc(C(=O)NNC(=O)CC(C)C)ccc1=O 1317780081 PTVMDGQGSHBVLJ-UHFFFAOYSA-N 296.327 -0.303 50 20 CBGD CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cnn(C)c1 1317991807 MNJGSATUOONHIK-VIFPVBQESA-N 284.341 -0.305 50 20 CBGD CC(C)(C)C(=O)C(=O)NNC(=O)C(=O)N1CCCC1 1319273542 ZGFUHKRVVDJPJN-UHFFFAOYSA-N 269.301 -0.629 50 20 CBGD CNC(=O)NNC(=O)c1cccc2c1oc(=O)n2C 1320213348 ZPZABEVHXURJKD-UHFFFAOYSA-N 264.241 -0.295 50 20 CBGD CNC(=O)CN1CCC(NC(=O)NNC(=O)C(C)C)CC1 1321899495 XWCSLKTXBXPJIO-UHFFFAOYSA-N 299.375 -0.817 50 20 CBGD Cc1nn(CCCl)c(C)c1C(=O)NC[C@@H](O)C(N)=O 1323610575 STQXKQYQWSSINB-MRVPVSSYSA-N 288.735 -0.685 50 20 CBGD C=C[C@H](C)ONC(=O)NNC(=O)C(=O)NC1CC1 1326452554 KEPWGDIZGUCWKB-LURJTMIESA-N 256.262 -0.899 50 20 CBGD Nc1cnnc(NNC(=O)C[C@H]2CC(=O)N2)c1Cl 1330704808 WEFHFNMQICPIJR-SCSAIBSYSA-N 270.680 -0.566 50 20 CBGD O=C(c1cnn2ccncc12)N1CC[C@@H](B(O)O)C1 1331826770 MKNHFEQBZQSMQS-MRVPVSSYSA-N 260.062 -0.582 50 20 CBGD C[C@H](CNC(=O)/C(C#N)=C/c1cnn(C)c1)S(C)(=O)=O 1334587740 HEWLOKAOQHOVOR-VMDVGJCFSA-N 296.352 -0.124 50 20 CBGD O=C(COCc1cccnc1)NNC(=O)[C@H]1CCC(=O)N1 1335329687 MIUIZAJGWRDOKE-SNVBAGLBSA-N 292.295 -0.976 50 20 CBGD CC(=O)N1CCC[C@H](C(=O)NNC(=O)Cc2cc[nH]n2)C1 1337768021 UVGLDRBALLXGFP-JTQLQIEISA-N 293.327 -0.642 50 20 CBGD CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1cnnn1C 1549319721 JCXZGQNUQJJTKD-JQWIXIFHSA-N 292.343 -0.482 50 20 CBGD O=C(CSCc1cnn[nH]1)NNC(=O)c1ccc[nH]1 1577958258 HBQJLDJATHILLA-UHFFFAOYSA-N 280.313 -0.173 50 20 CBGD COC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1OC 1579466178 GGUSUVIAFSMQJG-UHFFFAOYSA-N 292.255 -0.124 50 20 CBGD Cc1cc(NNC(=O)[C@H]2NCC23CCOCC3)nc(N)n1 1579636206 VZWHBLNDZJYRLL-SNVBAGLBSA-N 292.343 -0.421 50 20 CBGD Nc1cnc(C(=O)NNC(=O)C2CCOCC2)cn1 1580464519 IAQZCXIDSYFTMT-UHFFFAOYSA-N 265.273 -0.754 50 20 CBGD CC(C)(C(=O)O)C(=O)NNC(=O)Cc1cccnc1 1588618407 JEUBOLCYTVLXAW-UHFFFAOYSA-N 265.269 -0.118 50 20 CBGD CC(C)CC(=O)NNC(=O)c1cccn(CC(=O)O)c1=O 1588843159 BOVRTJWALBONJI-UHFFFAOYSA-N 295.295 -0.260 50 20 CBGD CC1(C)CC[C@H](CNC(=O)NNC(=O)C(=O)O)O1 1604525887 MCWLKHXJXKVVJX-ZCFIWIBFSA-N 259.262 -0.641 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CCN(CC(=O)O)CC1 1605617940 DOZZEEHVSYUDOR-KTKRTIGZSA-N 267.285 -0.341 50 20 CBGD O=C(O)c1ccc(NNC(=O)c2ccc3nnnn3c2)nc1 1608904795 JPEDKCOMNPJRIR-UHFFFAOYSA-N 299.250 -0.026 50 20 CBGD O=S(=O)(CCCCl)N1CCN(CCO)CC1 36881304 ZRCXNWVJAKUUDA-UHFFFAOYSA-N 270.782 -0.445 50 20 CBGD O=C(CN1CCC[C@@H]1CO)NNC(=O)c1ccccc1 50116566 LMEFHIJINNGTKS-GFCCVEGCSA-N 277.324 -0.096 50 20 CBGD CN(C)CC(=O)NNC(=O)CCNC(=O)c1ccsc1 113425677 AQQPKDCAEJFSLE-UHFFFAOYSA-N 298.368 -0.423 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1C[C@H]1C1CC1 177655003 HFNICQYDNDOOMQ-IUCAKERBSA-N 253.302 -0.296 50 20 CBGD CCOC(=O)NCCC(=O)NNC(=O)Cc1cccnc1 264221627 PKHJUHDGOZBTQS-UHFFFAOYSA-N 294.311 -0.092 50 20 CBGD COc1cc(C)nc(NNC(=O)C2(NC(N)=O)CC2)n1 271054898 YXAKARDAKRICFK-UHFFFAOYSA-N 280.288 -0.562 50 20 CBGD COC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCO1 292083461 GAMQKPUQEOUGSU-CIUDSAMLSA-N 270.285 -0.488 50 20 CBGD CCNC(=O)[C@H](C)NC(=O)NNC(=O)C(C)(C)C 298665337 SKOXUVWVJPNJIL-ZETCQYMHSA-N 258.322 -0.113 50 20 CBGD CN(CCOCCO)S(=O)(=O)CBr 301013598 HEHHQRUREUGHGP-UHFFFAOYSA-N 276.152 -0.391 50 20 CBGD O=C(CCN1CCOC1=O)NNC(=O)Cc1cccnc1 491161580 UZKXQERXGJCVEI-UHFFFAOYSA-N 292.295 -0.386 50 20 CBGD C=CCOCC(=O)NNC(=O)CNC(=O)OC(C)(C)C 494452733 KTIZPHNSYPHABK-UHFFFAOYSA-N 287.316 -0.139 50 20 CBGD COC(=O)N(C)NS(=O)(=O)CC1CCOCC1 496441670 GDQUGKUDAIGZDN-UHFFFAOYSA-N 266.319 -0.054 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1CCCS(=O)(=O)C1 584914519 YXMUGRBRIVYCBH-VIFPVBQESA-N 297.141 -0.870 50 20 CBGD CO[C@@H](C)[C@H](C)NC(=O)c1ccc(B(O)O)cc1 584978859 FAKYHGCCKYUQMD-IUCAKERBSA-N 251.091 -0.480 50 20 CBGD O=C(NCC1(CF)CC1)c1ccc(B(O)O)cc1 584989288 BIAZQSHBNFLIQF-UHFFFAOYSA-N 251.066 -0.154 50 20 CBGD CO[C@@H]1CCC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584997386 FQNHRKKSOZLGJJ-VXGBXAGGSA-N 281.092 -0.197 50 20 CBGD CN(C)CC(C)(C)NC(=O)c1cc(B(O)O)ccc1F 584999511 WBMNWRLLBOXNSU-UHFFFAOYSA-N 282.124 -0.425 50 20 CBGD C[C@@H](CNCc1ccc(B(O)O)cc1)N(C)C1CC1 585023798 MJYQARPNNLHKJJ-NSHDSACASA-N 262.162 -0.061 50 20 CBGD OB(O)c1ccc(CNCCCCn2cnnc2)cc1 585026456 HFUJCAAZGFEGGO-UHFFFAOYSA-N 274.133 -0.472 50 20 CBGD Cc1nc2n(n1)CCC[C@H]2NCc1ccc(B(O)O)o1 585030710 IMJGIDALTNTEFQ-SNVBAGLBSA-N 276.105 -0.516 50 20 CBGD CC(C)C[C@H](CO)CNCc1ccc(B(O)O)o1 585039031 MMILFVYGCSTIGT-JTQLQIEISA-N 255.123 -0.296 50 20 CBGD C[C@@H]1C[C@H](NCc2ccc(B(O)O)o2)c2nccn21 585044466 JLSZLAREQQKQDD-SCZZXKLOSA-N 261.090 -0.049 50 20 CBGD CO[C@@H]1COC[C@@H]1NCc1ccc(B(O)O)cc1F 585045534 CHQWMHHDZSJZDP-NWDGAFQWSA-N 269.081 -0.991 50 20 CBGD O=S(=O)(NCB(O)O)c1ccccc1Br 585054290 JQGOUYPEFDIDMS-UHFFFAOYSA-N 293.935 -0.261 50 20 CBGD O=S(=O)(CCc1ccc(F)cc1)NCB(O)O 585056956 DWFQXMZSRDBNEP-UHFFFAOYSA-N 261.083 -0.700 50 20 CBGD COCC[C@H](C)S(=O)(=O)N1CC[C@H](B(O)O)C1 585058701 NCCOCKYFLOPYBF-IUCAKERBSA-N 265.140 -0.710 50 20 CBGD CS(=O)(=O)N1CCCN(S(=O)(=O)CCl)CC1 703166434 DFNNADPFINCHEJ-UHFFFAOYSA-N 290.794 -0.520 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C[C@@H]1CCOC1 728434151 IWWIGJQWWJRLOM-YUMQZZPRSA-N 263.319 -0.937 50 20 CBGD CCC(COC)=NNC(=O)[C@@H](C)NS(C)(=O)=O 735971420 DJAHEPLWNPUDCG-SSDOTTSWSA-N 265.335 -0.547 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H](NC(=O)O)C(C)C 736106200 TWHQMLJTXMOOTE-SSDOTTSWSA-N 274.346 -0.040 50 20 CBGD O=C(NCC1CC1)NNC(=O)C(=O)N1CCCC1 748446380 ZJXOIFDDFGXWOE-UHFFFAOYSA-N 254.290 -0.651 50 20 CBGD CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1ccc[nH]1 766274668 DSUOIVWEWPETRM-RKDXNWHRSA-N 293.327 -0.127 50 20 CBGD COC(=O)CNC(=O)NN=Cc1c(CO)cnc(C)c1O 779822460 FFNIDXDDYVMBJI-UHFFFAOYSA-N 296.283 -0.606 50 20 CBGD CC(C)[C@@H](O)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 792856399 YDHGLRBMAVRQSW-VHSXEESVSA-N 278.374 -0.504 50 20 CBGD CCCCNC(=O)NNC(=O)CCNC(=O)NC 814624897 CAJZMIWGCHQYLP-UHFFFAOYSA-N 259.310 -0.564 50 20 CBGD C[C@@H]1SCCC1=NNC(=O)[C@@H](C)NS(C)(=O)=O 814835541 UOYHDCHDOLUVGE-RQJHMYQMSA-N 279.387 -0.078 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)C1(S(N)(=O)=O)CC1 816829088 AGTACIXAJMBZSA-UHFFFAOYSA-N 297.336 -0.423 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CNC(=O)Cc1cccc(F)c1 823971221 QYWRZOJZKNPTDA-JTQLQIEISA-N 297.330 -0.172 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 823976327 BXKZUPGTDVCOTA-GHMZBOCLSA-N 295.339 -0.028 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cccc(-n2cnnn2)c1 823986840 AGDMJJXKPMOCFT-VIFPVBQESA-N 276.300 -0.380 50 20 CBGD O=C(CO)NNC(=O)C[C@@H]1COc2ccccc2O1 827893381 CFVPTNNRZQJSNT-MRVPVSSYSA-N 266.253 -0.644 50 20 CBGD C#CCO[C@H](C)C(=O)NNC(=O)N=c1cc[nH]cc1 831940409 WJYHHFOVFMDXDL-SECBINFHSA-N 262.269 -0.306 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](C)N1CCN(C)CC1 843977674 GZFYIVNKINDVQA-SDDRHHMPSA-N 298.387 -0.805 50 20 CBGD CO[C@@H](CC(=O)NNC(=O)C(C)(C)O)C(F)(F)F 845992400 KIPKICHSEUCUDV-YFKPBYRVSA-N 272.223 -0.128 50 20 CBGD COCCN(C)NC(=O)C1(n2cnnn2)CCCCC1 846121880 GPKSAAMYMGQDES-UHFFFAOYSA-N 282.348 -0.058 50 20 CBGD Cc1cc(NNC(=O)[C@H]2CCS(=O)(=O)N2)nc(C)n1 846635000 FETZEBSZLMNYDL-MRVPVSSYSA-N 285.329 -0.772 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccn(CCN(C)C)n1 847686363 FBHXNDDPLNMSBP-UHFFFAOYSA-N 282.348 -0.249 50 20 CBGD CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1cnnn1C 853390034 JCXZGQNUQJJTKD-PWSUYJOCSA-N 292.343 -0.482 50 20 CBGD CN(C)c1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N2)c1 854263497 IJROVXIMUJIHRQ-SNVBAGLBSA-N 276.296 -0.598 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCS1(=O)=O)c1cc[nH]n1 855356197 ICVQYPWYDXQLCV-QMMMGPOBSA-N 286.313 -0.862 50 20 CBGD CCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1cc[nH]n1 855359028 BYPIIGPRCPCHRF-JTQLQIEISA-N 293.327 -0.038 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1ccccn1)[C@@H]1CCC(=O)N1 858091938 KLPWKPUFVBYEIH-BDAKNGLRSA-N 276.296 -0.243 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@H]2C=CCC2)N1 858608120 IVZARJBWWYRFIB-YUMQZZPRSA-N 252.274 -0.686 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccc1O 862460406 GFDUBGDUNYGVGL-VIFPVBQESA-N 277.280 -0.260 50 20 CBGD CCC[C@H](OC)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862462346 WNXZKDBDLGPLEH-SFYZADRCSA-N 257.290 -0.773 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CN(C)C1CCC1 863867312 YNPQSGUJKAXOJW-UHFFFAOYSA-N 265.317 -0.037 50 20 CBGD CNc1nc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cs1 863935779 UTQVIKQXPQLYDS-RXMQYKEDSA-N 283.313 -0.776 50 20 CBGD CCNC(=O)NNC(=O)/C=C/CN1CCOCC1 865015915 PEGJKTUWHWSZTG-ONEGZZNKSA-N 256.306 -0.775 50 20 CBGD COCC1(S(=O)(=O)NNC(=O)N2CCOCC2)CC1 882685836 FUIUXQHYXBIWLH-UHFFFAOYSA-N 293.345 -0.958 50 20 CBGD C[C@@H](CC(N)=O)C(=O)NNC(=S)NC(C)(C)C 899997383 RAOMWXJBPZPQMJ-LURJTMIESA-N 260.363 -0.208 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CNC(=O)N1CCCC1 900002307 LTUNGOOJMODVRN-UHFFFAOYSA-N 293.327 -0.409 50 20 CBGD N#CC1(C(=O)NNC(=O)C(=O)NC2CC2)CCC1 1116098889 KSLLDYLWROANRB-UHFFFAOYSA-N 250.258 -0.894 50 20 CBGD Cc1cc(C(=O)NNc2ccc(C(N)=O)nn2)n(C)n1 1116251157 MGPZFPKKZDVZNP-UHFFFAOYSA-N 275.272 -0.626 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@@H](C)c1ncn(C)n1 1116705301 CRKLQHFICFHEDC-ZETCQYMHSA-N 254.294 -0.138 50 20 CBGD Cn1ccnc(NNC(=O)COCc2cccnc2)c1=O 1117434704 YZCHDUREFRVYDD-UHFFFAOYSA-N 289.295 -0.165 50 20 CBGD CCOC(=O)NNC(=O)[C@@H]1CCc2nncn2C1 1117783398 HQHIICWROFWOCQ-SSDOTTSWSA-N 253.262 -0.382 50 20 CBGD CSCCNC(=O)NNC(=O)c1cccnn1 1119345234 LDNAZXPWZYIPPE-UHFFFAOYSA-N 255.303 -0.216 50 20 CBGD CO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccccn1 1252886706 WQIVILXANYLERB-SSDOTTSWSA-N 266.257 -0.798 50 20 CBGD CN(C)C(=O)CCCNC(=O)NNC(=O)c1cnn(C)c1 1318569565 CYPCCOWOOTULFA-UHFFFAOYSA-N 296.331 -0.768 50 20 CBGD CS(=O)(=O)c1ccccc1NNC(=O)Cn1cncn1 1319399435 AVVWEPYHGUEMHZ-UHFFFAOYSA-N 295.324 -0.175 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1ccc2[nH]ncc2c1 1320349215 WYARNQZCZBCQCL-UHFFFAOYSA-N 261.241 -0.331 50 20 CBGD O=C(c1cnn(C(F)F)c1)N1CC[C@@H](B(O)O)C1 1330261973 KCEILCTVAPQOAU-SSDOTTSWSA-N 259.021 -0.033 50 20 CBGD CCOC(=O)NC1CCC(=NNC(=O)C(N)=O)CC1 1330635179 ULYXXGLHXKYFGI-UHFFFAOYSA-N 270.289 -0.367 50 20 CBGD Cn1nc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1C1CC1 1330964278 KSFKPUFRNFGOOQ-MRVPVSSYSA-N 291.311 -0.663 50 20 CBGD O=C1CCCN1C[C@H](O)CNS(=O)(=O)CCCCl 1331897534 JNLMXBBRZFIMRH-SECBINFHSA-N 298.792 -0.482 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cc2n(n1)CCC[C@H]2N 1576037979 SKOFWUGRRAWUFC-RKDXNWHRSA-N 267.333 -0.366 50 20 CBGD C[C@]1(C(=O)NNC(=O)Cc2cccnc2)C[C@@H](N)CCO1 1576350493 PKIMUUIKAMVOBG-SMDDNHRTSA-N 292.339 -0.332 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H]1C[C@@H](N)C1 1576903381 JADMIRSHASLQGP-DOLQZWNJSA-N 270.333 -0.521 50 20 CBGD CCOC(=O)[C@H](N)C(=O)NN=c1cc[nH]c2cccnc12 1577922361 YMSMTWQPMKAOCC-SNVBAGLBSA-N 289.295 -0.615 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H](C(C)C)[C@@H](C)N 1579016360 FWDHZRHXBLZCFI-NXEZZACHSA-N 274.365 -0.027 50 20 CBGD Cc1[nH]c(C=O)cc1C(=O)NNC(=O)CCCN 1579513778 WVIGNEWVZMXZLD-UHFFFAOYSA-N 252.274 -0.364 50 20 CBGD C=C[C@H](NNC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)O 1588699898 AJWWPGZKTQPCKN-JTQLQIEISA-N 298.320 -0.036 50 20 CBGD CC(C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)n1 1589411137 DDBHWMBXMRQFRV-UHFFFAOYSA-N 275.272 -0.321 50 20 CBGD COC(=O)N(C)NC(=O)c1ccc(-c2nn[nH]n2)c(O)c1 1591272265 BVDMWNCYTLPCFC-UHFFFAOYSA-N 292.255 -0.085 50 20 CBGD CC[C@H](C(=O)O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 1594755570 MRFCZXWWENJFDR-YUMQZZPRSA-N 295.299 -0.901 50 20 CBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1cc(F)cc(F)c1 1601635083 AMRUGOYFEYEBQK-UHFFFAOYSA-N 287.178 -0.865 50 20 CBGD COc1cc(C(=O)O)ccc1C=NNC(=O)C(N)=O 1776015520 CLCHZZHQVMXSRS-UHFFFAOYSA-N 265.225 -0.671 50 20 CBGD C[C@H](C(=O)NNC(=O)c1ccccc1O)S(C)(=O)=O 45876845 SEZBVIDFEUMTKQ-SSDOTTSWSA-N 286.309 -0.414 50 20 CBGD CCCNC(=O)CCC(=O)NNC(=O)C(C)(C)O 276192744 DWPUFGLQARJTFP-UHFFFAOYSA-N 259.306 -0.789 50 20 CBGD C[C@H](O)C(=O)NNC(=O)COc1ccccc1O 276356985 MFNSLVGJRVTEBZ-ZETCQYMHSA-N 254.242 -0.701 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CN1CCCCCC1=O 277046464 HSBALZRUEZJQRX-UHFFFAOYSA-N 271.317 -0.693 50 20 CBGD CC(C)(C)OC(=O)NNC(=O)[C@@H]1CC[C@@H](C(N)=O)O1 279528612 BVHRRYXLZPGJLQ-BQBZGAKWSA-N 273.289 -0.425 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCCCC(=O)N1 279711495 KOJGMIUQLVPFFN-QMMMGPOBSA-N 256.306 -0.262 50 20 CBGD O=C(NCC(=O)N1CCOCC1)NNc1ncccc1F 287045195 TUGOHJVITBBKIU-UHFFFAOYSA-N 297.290 -0.294 50 20 CBGD CO[C@@H]1CN(S(=O)(=O)CCCCl)C[C@H]1O 395909777 ATTMULXDZFXCKH-HTQZYQBOSA-N 257.739 -0.363 50 20 CBGD COC(=O)NCCC(=O)NNC(=O)c1ccc[nH]1 491074729 CLEDFRHLHZXUOY-UHFFFAOYSA-N 254.246 -0.478 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)Cc1ccncc1 494121096 XMCNFYCICBHIMM-QMMMGPOBSA-N 280.284 -0.484 50 20 CBGD COC1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584926598 UOPJIGQEFGPAPB-UHFFFAOYSA-N 263.102 -0.383 50 20 CBGD CCN(C)CCNC(=O)c1cc(B(O)O)ccc1F 584946613 VSBCUOBRCIONKH-UHFFFAOYSA-N 268.097 -0.813 50 20 CBGD CSC[C@](C)(O)CNC(=O)c1ccc(B(O)O)cc1 584948346 GENZPQDCHBZNLM-GFCCVEGCSA-N 283.158 -0.790 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@H]2[C@H](O)CC[C@H]2C1 584972598 AYBFEEKJLVAQRY-CYZMBNFOSA-N 275.113 -0.791 50 20 CBGD CC(C)(O)C1CN(C(=O)c2ccc(B(O)O)cc2)C1 584979321 QQSRLMLSMFLSRH-UHFFFAOYSA-N 263.102 -0.791 50 20 CBGD CC(C)(CN1CCCC1)NC(=O)c1ccc(B(O)O)cc1 585001747 ZMFVWFJVAMRRND-UHFFFAOYSA-N 290.172 -0.029 50 20 CBGD C[C@H](NCc1cccc(B(O)O)c1)c1nnc2n1CCC2 585033408 DNDRDSSJVHACQZ-JTQLQIEISA-N 286.144 -0.245 50 20 CBGD CCN(C)C(=O)[C@@H](C)NCc1cccc(B(O)O)c1 585038191 VPLGZYXDNKVQHA-SNVBAGLBSA-N 264.134 -0.677 50 20 CBGD OC[C@@H](NCc1ccc(B(O)O)cc1F)[C@@H]1CCCO1 585039555 WUMRMLDSYOEWTP-OLZOCXBDSA-N 283.108 -0.865 50 20 CBGD NC(=O)[C@@H]1CC[C@H](NCc2ccc(B(O)O)cc2)C1 585044336 FXGYBKXFBYRSJO-PWSUYJOCSA-N 262.118 -0.890 50 20 CBGD COc1ccc2c(c1)CCC(S(=O)(=O)NCB(O)O)=C2 585059420 MVFSIQZHWYLPDA-UHFFFAOYSA-N 297.141 -0.086 50 20 CBGD NC(=O)CNC(=S)NNC(=O)c1ccc2c(c1)OCO2 727064607 JWZWYTAPFFNCQX-UHFFFAOYSA-N 296.308 -0.991 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCCNC(=O)C1 732200209 XKZWPHHZGWSCJC-JTQLQIEISA-N 284.360 -0.610 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)CC(=O)N1CCCC1 733193072 AOROKUUNEQICJZ-UHFFFAOYSA-N 282.344 -0.902 50 20 CBGD CN(C)CC(=O)NNC(=O)CCCn1cccn1 733360081 ASAKXQDZBUGXBF-UHFFFAOYSA-N 253.306 -0.628 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](O)c1cccnc1 735516101 IMMMETCRWIJPHH-JTQLQIEISA-N 275.268 -0.392 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)[C@@H]1CCN(C)C1=O 738332224 NRLLQJPJVIJPKA-DTWKUNHWSA-N 270.333 -0.905 50 20 CBGD CC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)Cc1cc[nH]n1 755270863 VNXBUOYYWZZMEK-NSHDSACASA-N 295.343 -0.350 50 20 CBGD Cc1cc(C(=O)NNC(=O)Nc2cnn(C)c2)n[nH]1 755494261 UBHXAULGHVTOFJ-UHFFFAOYSA-N 263.261 -0.082 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCN(CCC#N)CC1 760943358 LBIUXQIGEXZVOU-UHFFFAOYSA-N 295.387 -0.289 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCO1 771932923 CLSVCMMTOSXSEF-JGVFFNPUSA-N 258.274 -0.346 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cnc(N(C)C)cn2)n[nH]1 779675510 XJJHQKBJONQIEV-UHFFFAOYSA-N 289.299 -0.351 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@@H]1COC(C)(C)O1 783263049 RGQFUOIUFOOTFD-MRVPVSSYSA-N 275.305 -0.495 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1nccnc1C 783517316 XBXDISMIQAMJIW-VIFPVBQESA-N 299.356 -0.437 50 20 CBGD C[C@@H](O)CN(CC(=O)NNC(=O)C(C)(C)C)[C@H](C)CO 785536643 HHZIFBZXQSCANV-NXEZZACHSA-N 289.376 -0.757 50 20 CBGD CCN(CC(N)=O)CC(=O)NNC(=O)c1cccs1 789516886 IXXZYZHHLCQABB-UHFFFAOYSA-N 284.341 -0.684 50 20 CBGD CCO/C=C(\C#N)C(=O)NC1CC(NS(C)(=O)=O)C1 801463667 QPGRQSLZMFVWBL-BQYQJAHWSA-N 287.341 -0.373 50 20 CBGD O=C(CC1OCCCO1)NNc1ncnc2[nH]cnc12 801622089 LHSCTOKIPPECOK-UHFFFAOYSA-N 278.272 -0.051 50 20 CBGD Cc1ccc2[nH]cc(C(=O)NNC(=O)CO)c(=O)c2c1 807197692 DWAXWKRLYMHLRC-UHFFFAOYSA-N 275.264 -0.410 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCCN2C)CC1 807382219 BRZQPVHHAGCRMM-SNVBAGLBSA-N 269.349 -0.931 50 20 CBGD CC(C)C(=O)NNC(=O)NCCS(=O)(=O)C(C)C 808365992 JYOVFBJLSQASAW-UHFFFAOYSA-N 279.362 -0.204 50 20 CBGD O=C(CC1CC1)NNC(=O)[C@]12CCC(=O)N1CCS2 819110111 UCXVZOAEUWOBOA-GFCCVEGCSA-N 283.353 -0.001 50 20 CBGD O=S(=O)(CCl)NCCNS(=O)(=O)CCl 820779680 JXTZQBIZEMXFSE-UHFFFAOYSA-N 285.174 -0.782 50 20 CBGD C[C@H]1CCN(S(=O)(=O)NNC(=O)[C@H]2CCCCO2)C1 830036981 HTEWAOZDFMAWSJ-VHSXEESVSA-N 291.373 -0.237 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2nncn2c1 843649580 VRWOHUXLKOVAJD-WCBMZHEXSA-N 289.295 -0.085 50 20 CBGD CC[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)C(=O)OC 843970404 FKCYTQHAGITZCR-IWSPIJDZSA-N 272.301 -0.242 50 20 CBGD CCn1ccc(CC(=O)NNC(=O)c2c[nH]nc2C)n1 845456358 WRGAFGLRFKUWND-UHFFFAOYSA-N 276.300 -0.062 50 20 CBGD CCONC(=O)CNC(=O)NNC(=O)c1ccccc1 845554998 NWNIUUCERAOVPQ-UHFFFAOYSA-N 280.284 -0.302 50 20 CBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)NCc1ccco1 847390292 FNHPREGCDWPEGZ-RKDXNWHRSA-N 280.284 -0.379 50 20 CBGD C[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)c1ncccn1 848226719 UFNMCGGNOYGNCL-MRVPVSSYSA-N 274.284 -0.161 50 20 CBGD COCCN(C)NC(=O)c1ccc(-n2ccnc2)nn1 848377731 RXADYLMEBVQKRD-UHFFFAOYSA-N 276.300 -0.115 50 20 CBGD CN(C)S(=O)(=O)NNC(=O)c1cccc(Cl)n1 849312688 KNWNTRHYCZRUPB-UHFFFAOYSA-N 278.721 -0.224 50 20 CBGD COCCCNC(=S)N(C)NC(=O)[C@H](C)NC(C)=O 854279545 COYUIPGNHYLVCB-QMMMGPOBSA-N 290.389 -0.615 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=S)NCC1CCC1 855090902 UXMJISAPICVJSD-NSHDSACASA-N 275.374 -0.321 50 20 CBGD C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)CN(C)C)C1 857855685 WIPSHHNXARIKJO-PSASIEDQSA-N 279.344 -0.215 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCCC2CC2)N1 858233368 MGGPHMKQZROTNK-VIFPVBQESA-N 268.317 -0.214 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H]1CCCN1C 858571904 LUZVQUULAOVPCW-GMTAPVOTSA-N 284.360 -0.164 50 20 CBGD C[C@@H]1CCCCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858694525 QMDXEKHODXHINJ-BDAKNGLRSA-N 268.317 -0.120 50 20 CBGD CC[C@@H](C)CN(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858695043 CIGQTHFEJLNPLG-RKDXNWHRSA-N 270.333 -0.016 50 20 CBGD CC(C)C(=O)N[C@@H](CO)C(=O)NN[C@H](C)C(F)(F)F 862319285 AGONKJXYTCXQBI-RQJHMYQMSA-N 285.266 -0.309 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)C2Cc3ccccc3C2)N1 862459167 ODOAKDBHEQUOOA-LBPRGKRZSA-N 287.319 -0.173 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)C23CCC(CC2)C3)N1 862460779 JUCZMPHOWXERGN-XQVHRTOBSA-N 265.313 -0.007 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)NCCN2CC[C@@H](O)C2)cn1 863318660 SMCXKWSWHXDMCK-MVXISAMASA-N 289.339 -0.490 50 20 CBGD CC1(C)COC(=O)[C@@H]1NC(=O)c1cc(B(O)O)ccc1F 863881573 AGBWVHPKCKBKRX-JTQLQIEISA-N 295.075 -0.813 50 20 CBGD C[C@@]1(C(=O)NOCC(N)=O)C[C@H]1Br 907213605 GVBRBDXBLWFSAI-CLZZGJSISA-N 251.080 -0.307 50 20 CBGD COC(=O)c1c[nH]nc1S(=O)(=O)NN(C)C(=O)OC 912551912 DFXLPHMSSVNERC-UHFFFAOYSA-N 292.273 -0.912 50 20 CBGD CC(F)(F)CC(=O)NNC(=O)CN1CCCC1=O 913732609 CAXCABRMABVBKD-UHFFFAOYSA-N 263.244 -0.199 50 20 CBGD NC(=O)c1cc(C(=O)NNC(=O)c2cccnc2)c[nH]1 916726677 UIKYJTZMXVTWMO-UHFFFAOYSA-N 273.252 -0.417 50 20 CBGD C=CCNC(=O)c1cccc(S(=O)(=O)NNC(C)=O)c1 917717496 GWIGKVIZGSHMBO-UHFFFAOYSA-N 297.336 -0.068 50 20 CBGD C[C@H]1COC[C@H]1NC(=O)NNC(=O)c1ccc[nH]1 925992544 AMXXDRYXERWVFD-IONNQARKSA-N 252.274 -0.006 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cccc2c1OCCO2 1116617973 CALJKEFUHPYETN-UHFFFAOYSA-N 279.252 -0.436 50 20 CBGD COCCCn1cc(C(=O)NN(C)C(N)=O)cn1 1118852484 LXJFNHDJMIMUDV-UHFFFAOYSA-N 255.278 -0.425 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCn2ccnc2)cn1 1251914755 LKKBZIXBDNGYKZ-UHFFFAOYSA-N 262.273 -0.532 50 20 CBGD CC(C)n1cc(NC(=O)C(=O)NNC(=O)CCCN)cn1 1261554407 DDYMGLVXAPEBPL-UHFFFAOYSA-N 296.331 -0.711 50 20 CBGD COc1cc(O)c(C=NNC(=O)C(N)=O)cc1OC 1323286045 PLKNHLABBOPGKU-UHFFFAOYSA-N 267.241 -0.655 50 20 CBGD O=C(NNC(=O)c1ncc(Cl)s1)C(=O)NC1CC1 1324956866 MUGGTAVZLOZNNO-UHFFFAOYSA-N 288.716 -0.164 50 20 CBGD COC(=O)NNS(=O)(=O)c1c(N)noc1C 1327223489 TZBXHPLMSHZWGD-UHFFFAOYSA-N 250.236 -0.885 50 20 CBGD Cc1nc(C)c(CC(=O)NNC(=O)c2cc[nH]n2)c(O)n1 1328459512 VAUHJTHFNTTXHN-UHFFFAOYSA-N 290.283 -0.474 50 20 CBGD O=C(CN1C(=O)CNC1=O)NN=c1cc[nH]c2ccccc12 1328638906 HUIHAAGOKWKFDW-UHFFFAOYSA-N 299.290 -0.348 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H]1CCc2c[nH]nc2C1 1329733887 BMKHNLIJPQKEEF-VIFPVBQESA-N 289.299 -0.366 50 20 CBGD O=C(C[C@H]1CC(=O)N1)NNC(=O)c1n[nH]c2c1CCCC2 1330136968 VBSIHJKICKJBLT-SSDOTTSWSA-N 291.311 -0.672 50 20 CBGD CC(=O)N1CCC[C@@H](C(=O)NNC(=O)C2CCOCC2)C1 1330828916 GUBIUJCGQZMZPQ-GFCCVEGCSA-N 297.355 -0.181 50 20 CBGD C/C=C/C[C@@H](CO)NC(=O)NNC(=O)c1cn[nH]c1 1331313666 YRBMDGDPKFSQAI-HPOULIHZSA-N 267.289 -0.319 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CSc1nncn1C 1335303232 HDOFMGQKPSOMMH-YUMQZZPRSA-N 299.356 -0.520 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc(CO)c(F)c2)N1 1348390158 YZFFAWADBXHPJN-SNVBAGLBSA-N 295.270 -0.642 50 20 CBGD Cn1cc([C@H]2OCCC[C@H]2C=NNC(=O)CO)cn1 1552448503 DYJKUQPDUZGMGX-CABZTGNLSA-N 266.301 -0.018 50 20 CBGD C[C@@H]1CCN[C@@H](C(=O)NNC(=O)c2cnsn2)C1 1576745296 QHPWCUOQYXLAQW-RNFRBKRXSA-N 269.330 -0.313 50 20 CBGD CC(C)C(=O)NNC(=O)CN(C1CC1)[C@@H](C)C(=O)O 1588799355 FARKGDBBTVSMEL-QMMMGPOBSA-N 271.317 -0.273 50 20 CBGD CC1(C)C[C@]1(C(=O)O)C(=O)NNC(=O)[C@H]1COCCO1 1589219648 PQZNUTZMLHRWTM-JMCQJSRRSA-N 286.284 -0.950 50 20 CBGD CC(C)(CS(=O)(=O)NNC(=O)c1cc[nH]n1)C(=O)O 1590820808 XPJHCAZOSFXIPP-UHFFFAOYSA-N 290.301 -0.915 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1cccc(C(=O)O)c1 1593805024 ZGMIUJQCSDTBGN-UHFFFAOYSA-N 295.251 -0.612 50 20 CBGD CO[C@H](C(=O)O)C(=O)NNC(=S)N[C@H](C)C1CC1 1593911026 FYODGWDUZRGDRV-VDTYLAMSSA-N 275.330 -0.620 50 20 CBGD O=C(NCCc1cnc(C2CC2)nc1)NNC(=O)C(=O)O 1601515282 CCDXXUXSFBSUOC-UHFFFAOYSA-N 293.283 -0.689 50 20 CBGD C[C@@H](C(=O)O)C(=O)NNC(=O)Cc1ccncc1 1602804266 GEQBJGVTLCGDEA-SSDOTTSWSA-N 251.242 -0.508 50 20 CBGD CN(NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C(N)=O 181086693 HMUNNCTVAPJZAP-MRVPVSSYSA-N 268.317 -0.181 50 20 CBGD CSCCNC(=S)NNC(=O)CN1CCCC1=O 271419581 MXFURQXCJYXWKP-UHFFFAOYSA-N 290.414 -0.533 50 20 CBGD CN(NC(=O)C1CN(C(=O)OC(C)(C)C)C1)C(N)=O 273201807 INXVLMBNJOFCII-UHFFFAOYSA-N 272.305 -0.105 50 20 CBGD CC(C)CC(=O)NCCC(=O)NNC(=O)C(C)(C)O 278016359 SJJOVYKSLQENKJ-UHFFFAOYSA-N 273.333 -0.543 50 20 CBGD COC(=O)N(C)NC(=O)[C@](C)(O)Cn1c(C)cccc1=O 286187524 CUKFEBZCFIBNST-CYBMUJFWSA-N 297.311 -0.363 50 20 CBGD CC(=O)OC(C)(C)C(=O)NNC(=O)[C@@H]1CCCO1 294785854 ZOTKJJPEDLQWNK-QMMMGPOBSA-N 258.274 -0.346 50 20 CBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CC#N 495555447 OATPAYQSRJOMGB-UHFFFAOYSA-N 285.304 -0.245 50 20 CBGD C[C@@H](CNC(=O)c1cccc(B(O)O)c1)N(C)C 584935620 SBXSRMXYJFIFFM-VIFPVBQESA-N 250.107 -0.954 50 20 CBGD CN1CCC(CCNC(=O)c2cccc(B(O)O)c2)CC1 584937581 WBODKROFGVUUPC-UHFFFAOYSA-N 290.172 -0.172 50 20 CBGD C=CCN(CCO)C(=O)c1ccc(B(O)O)c(F)c1 584968482 XRCJBAFQRMJMEI-UHFFFAOYSA-N 267.065 -0.874 50 20 CBGD CN(C)C[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584971987 JYADPSGYRBBYQR-JTQLQIEISA-N 294.135 -0.471 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N(CCO)C1CCC1 584979405 STQUYIOVBCCJNK-UHFFFAOYSA-N 263.102 -0.647 50 20 CBGD C[C@@H]1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)O1 584997326 APLOCKVCNNLHHJ-BXKDBHETSA-N 263.102 -0.336 50 20 CBGD CSCC[C@H](CO)NCc1ccccc1B(O)O 585029643 IFBYSTMJXWRVHV-LLVKDONJSA-N 269.175 -0.430 50 20 CBGD CC[C@H](C)NC(=O)[C@H](C)NCc1cccc(B(O)O)c1 585033151 YRPUQRAUPMXAEH-QWRGUYRKSA-N 278.161 -0.241 50 20 CBGD CN1CC[C@H](CNCc2cccc(B(O)O)c2)CC1=O 585048172 KBRVXDKIHVNRTO-LBPRGKRZSA-N 276.145 -0.676 50 20 CBGD OB(O)c1ccc(CNCC2(O)CCC(F)(F)CC2)o1 585050055 PUFPTRSKMYSZEP-UHFFFAOYSA-N 289.087 -0.011 50 20 CBGD Cc1cc(C#N)ccc1S(=O)(=O)NCB(O)O 585055503 CZNZKOCHARUPAB-UHFFFAOYSA-N 254.076 -0.843 50 20 CBGD CCNC(=O)NNC(=O)CCSCC(=O)OC 730773424 MUEVAQWPKNXWCI-UHFFFAOYSA-N 263.319 -0.367 50 20 CBGD CC(C)C[C@H](NC(=O)O)C(=O)NNC(=O)CN(C)C 736416281 OKCKSQOOXPMCBS-QMMMGPOBSA-N 274.321 -0.622 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCCC[C@@H]1C(N)=O 744383474 RBWJPQTVRARDNO-SECBINFHSA-N 284.360 -0.480 50 20 CBGD CN1CC[C@@H](N(C)CC(=O)NNC(=O)C(C)(C)C)C1=O 744404352 OQAJODHLELGWHB-SECBINFHSA-N 284.360 -0.658 50 20 CBGD O=C(CO)NNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 753437508 ABEYFVWDJFMHAA-UHFFFAOYSA-N 283.196 -0.923 50 20 CBGD O=C(CO)NNC(=O)c1cnc([C@H]2CCCO2)s1 753443162 TYFMJKDUNWCADH-ZCFIWIBFSA-N 271.298 -0.252 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc2oc(=O)ccc2c1 756245925 MMDJGXAAODFKGF-UHFFFAOYSA-N 277.236 -0.062 50 20 CBGD COc1cc(NC(=O)NNC(=O)c2cnccn2)ncn1 757758304 GHXWEPNVWAJYKS-UHFFFAOYSA-N 289.255 -0.258 50 20 CBGD CCS(=O)(=O)NCC(=O)NNc1cccc(C#N)c1 759660586 YUYRDYOXQSZPDW-UHFFFAOYSA-N 282.325 -0.059 50 20 CBGD O=C(NCCS(=O)(=O)CC1CC1)NNc1cccnn1 765962816 CDLIXQVGFCIYGR-UHFFFAOYSA-N 299.356 -0.073 50 20 CBGD Cc1ccn(CC(=O)NNC(=O)NCC2CC2)c(=O)c1 772145915 MAPHECWDGZCORQ-UHFFFAOYSA-N 278.312 -0.103 50 20 CBGD C#CCCCCC(=O)NNC(=O)C(=O)NC(C)C 773205954 BKAAQUGJTIFHKW-UHFFFAOYSA-N 253.302 -0.148 50 20 CBGD CCOCCONC(=O)NNC(=O)Cc1cccnc1 773273511 OQLPYSNOEYJQMA-UHFFFAOYSA-N 282.300 -0.077 50 20 CBGD CN1CC(=O)N(CC(=O)NCCCSC#N)C1=O 773586520 GHMSQKRGIGAXAK-UHFFFAOYSA-N 270.314 -0.399 50 20 CBGD O=C(CCN1CCCS1(=O)=O)NNc1ccccn1 777472643 UZRRWCNKGHVADV-UHFFFAOYSA-N 284.341 -0.050 50 20 CBGD CC(C)C(=O)NNC(=O)CNC(=O)Cc1ccc(O)cc1 781070090 FMPOUZNLKFVYEP-UHFFFAOYSA-N 293.323 -0.146 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1nc2ccccn2n1 791259014 LGQVAGSHLLMXEM-SSDOTTSWSA-N 298.328 -0.890 50 20 CBGD CCC(=O)NNC(=O)N=c1ccnc2n(C)[nH]cc1-2 806489811 FHAOJWIBSIZIIX-UHFFFAOYSA-N 262.273 -0.096 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CCCOC1 818400704 ZOKUODMNEDHWHZ-SECBINFHSA-N 260.290 -0.777 50 20 CBGD C#C[C@@H](C)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 820440525 LEIGAXQIRDAXAB-SCZZXKLOSA-N 259.331 -0.611 50 20 CBGD CC1=C(C(=O)NN(C)[C@@H](C)CO)[C@@H](C)n2nnnc2N1C 823917527 JOTBTDZURHFBKB-IONNQARKSA-N 295.347 -0.698 50 20 CBGD O=C(C[C@H]1CCC(=O)N1)NNC(=O)NC1CCCC1 824349280 LPOIDPJYNPLISP-SECBINFHSA-N 268.317 -0.072 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCn1cccn1 843976245 WQSVXNQPDGQYIJ-NXEZZACHSA-N 266.301 -0.154 50 20 CBGD CCOC(=O)/C(C#N)=C/N[C@@H]1CCN(S(C)(=O)=O)C1 844269502 WNZAKTZXJRZXQB-TTZKWOQHSA-N 287.341 -0.420 50 20 CBGD CN(C)CC[C@@H](N)C(=O)NNC(=O)c1ccccc1 846678837 DOEXTMDGASVYAT-LLVKDONJSA-N 264.329 -0.273 50 20 CBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)NCc1ccco1 847390290 FNHPREGCDWPEGZ-IUCAKERBSA-N 280.284 -0.379 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CC1 858282317 XDUYCRQVYOEEBO-IONNQARKSA-N 268.317 -0.359 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCCC[C@H]2F)N1 858540876 CZMLRIFDTUAXLV-IWSPIJDZSA-N 286.307 -0.124 50 20 CBGD C[C@@H]1CCCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858690611 AQZSUNQSSKTBGI-BDAKNGLRSA-N 268.317 -0.262 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@H]2C(N)=O)cn1 862897328 MLEBTEITVFTUCA-UAWPZABVSA-N 273.296 -0.197 50 20 CBGD O=C1CC[C@H](C(=O)NN=C2CCCn3ccnc32)N1 863151019 GASUYNLQZGXUNX-SECBINFHSA-N 261.285 -0.224 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)COCC1CCCC1 863466505 WWYQNGHKGXPCJK-UHFFFAOYSA-N 292.357 -0.615 50 20 CBGD CC(C)OC(=O)[C@H](C)NC(=O)c1cc(B(O)O)ccc1F 863885609 LYQFLZAMMMFBQD-QMMMGPOBSA-N 297.091 -0.425 50 20 CBGD O=S(=O)(CC[C@H]1CCCO1)N1CC[C@@H](B(O)O)C1 864231628 QBIBULNTLQZQDL-NXEZZACHSA-N 277.151 -0.566 50 20 CBGD O=C(NC[C@H]1CCCOC1)c1ccc(B(O)O)cc1 864953987 INWHAQSGCILQJK-SNVBAGLBSA-N 263.102 -0.477 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CCCC12OCCO2 910149300 BUZLCWIZUONEIX-ZJUUUORDSA-N 258.318 -0.127 50 20 CBGD NNC(=O)CCC(=O)N1CC(=O)Nc2ccccc21 916665792 SKOHMFSQFCCASQ-UHFFFAOYSA-N 262.269 -0.258 50 20 CBGD O=C(CCc1nccs1)NNC(=O)[C@@H]1CCC(=O)N1 1118885139 VQQRJHRENKGVKN-ZETCQYMHSA-N 282.325 -0.498 50 20 CBGD O=C1COc2ccc(C(=O)NNc3nc[nH]n3)cc2N1 1261245985 XAENNQAELNORBB-UHFFFAOYSA-N 274.240 -0.108 50 20 CBGD NS(=O)(=O)CCCCCC(=O)NNC(=O)C1CCC1 1261510775 LEFISJFBNRKDRX-UHFFFAOYSA-N 291.373 -0.217 50 20 CBGD COC(=O)CCCN1CCC(=NNC(=O)CCO)CC1 1318924271 STBZIWOWBBBJNM-UHFFFAOYSA-N 285.344 -0.110 50 20 CBGD O=C(NCC(=O)N1CCCC1)NNC(=O)c1ccc[nH]1 1318985789 MATYSUPVSSJUPF-UHFFFAOYSA-N 279.300 -0.419 50 20 CBGD C[C@@]1(NNC(=O)N[C@H]2CCOC2)CCS(=O)(=O)C1 1319658531 VOYLCVHTSOQXDK-WCBMZHEXSA-N 277.346 -0.844 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccc(C(N)=O)cn1 1320064749 CMYHDRWMOOUYRM-UHFFFAOYSA-N 265.273 -0.513 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(C)n1 1320995746 CWZLXBWZFJWVGO-UHFFFAOYSA-N 280.284 -0.488 50 20 CBGD O=C(CCCN1C(=O)CNC1=O)NNc1ncccn1 1321612724 UISVHYAUNNOXOU-UHFFFAOYSA-N 278.272 -0.748 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1ccc[nH]1)S(C)(=O)=O 1321708327 IUYUUPWMIXVFNL-LURJTMIESA-N 259.287 -0.791 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1cncs1 1324333872 MIUSGUYREUXVMW-UHFFFAOYSA-N 270.314 -0.642 50 20 CBGD Nc1cnnc(NNC(=O)CNC2CC2)c1Cl 1326611128 CCINTQNLFGSIHZ-UHFFFAOYSA-N 256.697 -0.093 50 20 CBGD CCOC(=O)c1cnc(NNC(=O)C(=O)NC)nc1C 1327637114 TWOBXNMSBKTTIK-UHFFFAOYSA-N 281.272 -0.849 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CCC(=O)[C@@H](C)C1 1329608450 OBBIOLLQIXUTLU-UWVGGRQHSA-N 286.328 -0.198 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CC12CCOCC2 1339947310 PPJAIZOTPXFLJS-SECBINFHSA-N 283.328 -0.525 50 20 CBGD CC(=O)N1CCC(C(=O)NNC(=O)c2cc(C)[nH]n2)CC1 1341306960 CAIYQGHROOWVIB-UHFFFAOYSA-N 293.327 -0.262 50 20 CBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNc1cccnn1 1343733132 PGXDFWGIGMYELO-QMMMGPOBSA-N 267.289 -0.947 50 20 CBGD CO[C@@H]1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)[C@H](C)C1 1351352746 LZCRWLHFXWYWQB-BBBLOLIVSA-N 298.343 -0.495 50 20 CBGD O=C(O)C[C@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 1594984603 OGOUBTNVJOORDW-GFCCVEGCSA-N 291.112 -0.164 50 20 CBGD CC[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)O 1605082129 DHSAGSSVUXYQDI-SECBINFHSA-N 269.037 -0.902 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H](C(=O)O)C1CCCC1 1605708428 BBLMBZOWIDGBAU-NSHDSACASA-N 294.311 -0.009 50 20 CBGD CSCCCCCNC(=O)NNC(=O)C(=O)O 1607397626 QSVQNYHTRRZTBT-UHFFFAOYSA-N 263.319 -0.065 50 20 CBGD O=C(O)[C@@H]1CCC[C@@H](C(=O)N2CC[C@H](B(O)O)C2)C1 1608620468 MCLGTSGAXRKQDO-BBBLOLIVSA-N 269.106 -0.047 50 20 CBGD CC(C)(C)CC(=O)NCC(=O)NNC(=O)Cc1cc[nH]n1 106417529 FPPHTYQBDRMIKK-UHFFFAOYSA-N 295.343 -0.348 50 20 CBGD O=C(NNC(=O)c1c[nH]nn1)c1ccc([N+](=O)[O-])cc1 126648891 ASMNVRJDKSPYHB-UHFFFAOYSA-N 276.212 -0.212 50 20 CBGD O=C(NNC(=O)[C@@H](O)c1ccccc1)C(=O)N1CCCC1 266895128 XMUSHCKZKHVSGE-NSHDSACASA-N 291.307 -0.510 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(C)(C)S(C)(=O)=O)[nH]n1 270636191 JYPUSWDPQAIGBW-UHFFFAOYSA-N 288.329 -0.698 50 20 CBGD CN(NC(=O)CN1CCc2ccccc2C1=O)C(N)=O 279657629 FHJOJHFDXDOWTQ-UHFFFAOYSA-N 276.296 -0.273 50 20 CBGD COCCN(C)NC(=O)c1nc2nccc(C)n2n1 288375457 IFVJMGMZBSKXSR-UHFFFAOYSA-N 264.289 -0.344 50 20 CBGD O=C(CNC(=O)C1CCCCC1)NNc1nnc[nH]1 294085718 ZFOKFVPTCVIQHG-UHFFFAOYSA-N 266.305 -0.056 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NNC(=O)c1ccccn1 298297321 IBATVFYEAIRFNK-LLVKDONJSA-N 292.339 -0.189 50 20 CBGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)c1ccncc1 298580173 DHRRAFPEGUJFDL-UHFFFAOYSA-N 299.352 -0.087 50 20 CBGD CNC(=O)NNC(=O)CNC(=O)C1CCCCC1 299195724 IUMKVRMCVWIOGD-UHFFFAOYSA-N 256.306 -0.357 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 363865495 UOPRKCYYMJSXKG-MRVPVSSYSA-N 295.270 -0.682 50 20 CBGD C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NNC(=O)CO 495049913 RSDCULFMJHCBKE-MRVPVSSYSA-N 289.332 -0.371 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCn2cncc2C1 584910572 CNYFXKHVVGHDTJ-SNVBAGLBSA-N 285.112 -0.236 50 20 CBGD CCC(=O)N1CC[C@@H](C(=O)Nc2cccc(B(O)O)c2)C1 584911102 HTOGEVONKCTIRV-SNVBAGLBSA-N 290.128 -0.437 50 20 CBGD CCOCCNC(=O)c1ccc(B(O)O)c(F)c1 584930495 LOTMQGZYBIIRQE-UHFFFAOYSA-N 255.054 -0.728 50 20 CBGD CN(CC(C)(C)O)C(=O)c1cc(B(O)O)ccc1F 584954037 DQNJAGYODSVERA-UHFFFAOYSA-N 269.081 -0.652 50 20 CBGD C[C@H](CO[C@@H]1CCOC1)NC(=O)c1ccc(B(O)O)cc1 584958274 PHPUREDQCUQHPJ-ZWNOBZJWSA-N 293.128 -0.710 50 20 CBGD CC(C)[C@@H](NCc1ccccc1B(O)O)C(=O)N(C)C 585018994 YVUQXTCQEKUMHT-CYBMUJFWSA-N 278.161 -0.431 50 20 CBGD C[C@@H]1[C@@H](NCc2ccc(B(O)O)o2)CCCN1C 585034641 KVLVXFPPDUYOPP-KOLCDFICSA-N 252.123 -0.468 50 20 CBGD CCN(C)C(=O)[C@H](C)NCc1ccc(B(O)O)cc1 585038232 WYODRFARJBTGGU-JTQLQIEISA-N 264.134 -0.677 50 20 CBGD CC[C@H]1CN(CCNCc2ccccc2B(O)O)CCO1 585038860 LWAMUWOEBZWUHR-AWEZNQCLSA-N 292.188 -0.433 50 20 CBGD COCC[C@@H](COC)NCc1ccc(B(O)O)cc1F 585040734 HSKUFVWSCDCKIV-LBPRGKRZSA-N 285.124 -0.353 50 20 CBGD O=S1(=O)CCC[C@@H](CNCc2ccccc2B(O)O)C1 585041038 SVYYIEJBADOXQC-NSHDSACASA-N 297.185 -0.719 50 20 CBGD C[C@@H](C1CC1)N(C)S(=O)(=O)N1CC[C@H](B(O)O)C1 585057526 GGJYAYOKSKFXCV-WPRPVWTQSA-N 276.167 -0.490 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CCO1 744384928 BMDIOQIJNVJXSA-SECBINFHSA-N 257.334 -0.099 50 20 CBGD C[C@H](OCC1CC1)C(=O)NNC(=O)N1CCOCC1 745996431 XHQQZJPVAZWLSD-VIFPVBQESA-N 271.317 -0.126 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 746006108 NWVVMJMDOKFHST-WDSKDSINSA-N 296.249 -0.254 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)C2CCCC2)CCC1 747908907 YKANVGKNNXMBMR-UHFFFAOYSA-N 253.302 -0.020 50 20 CBGD Cn1nc2c(c1C(=O)NNC(=O)CO)CCCC2 753436714 BRNIGGADEMTRQE-UHFFFAOYSA-N 252.274 -0.948 50 20 CBGD C[C@](O)(CC(=O)NNC(=O)Cc1cc[nH]n1)C1CC1 755283572 ZCVPKUJLDUYJFQ-LBPRGKRZSA-N 266.301 -0.349 50 20 CBGD COCCCNC(=O)NN=Cc1cn(CC(=O)O)nn1 768481888 FKNOTTGCHRCXNC-UHFFFAOYSA-N 284.276 -0.968 50 20 CBGD O=C(O)Cn1cc(C=NNC(=O)NCC(F)(F)F)nn1 768484614 VJHIGKJFRYNDOC-UHFFFAOYSA-N 294.193 -0.442 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCOCC1 770722022 ZHRFVYVKJSYVES-DTWKUNHWSA-N 257.290 -0.516 50 20 CBGD C[C@H](CN1CCOCC1)C(=O)NNC(=O)[C@H]1CCCCO1 772222273 LLGOSZYWZVNPCP-VXGBXAGGSA-N 299.371 -0.329 50 20 CBGD C#CCOc1ccccc1NC(=O)NNC(=O)CO 776097229 WCDMWSCOTNIJEX-UHFFFAOYSA-N 263.253 -0.156 50 20 CBGD COc1ccc(NNC(=O)Cn2cc([C@@H](C)O)nn2)nc1 781517100 UHFSYVCBDSPQLQ-MRVPVSSYSA-N 292.299 -0.122 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)COCc1ccnn1C 786115671 WVPZYLXKJALMNG-UHFFFAOYSA-N 292.299 -0.571 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNc1nc2ccccn2n1 791245079 RGNXPVTVNUGVLB-SSDOTTSWSA-N 262.273 -0.303 50 20 CBGD CO[C@@](C)(C(=O)NNC(=O)N1CCOCC1)C1CC1 813427714 KYQSJBMIZHKYKP-GFCCVEGCSA-N 271.317 -0.126 50 20 CBGD COCCO[C@@H](C)C(=O)NN=Cc1cc(C(=O)OC)no1 814864991 MHRHNIJGGRHEJY-QMMMGPOBSA-N 299.283 -0.037 50 20 CBGD CCC[C@@H](C(=O)NNC(=O)c1ccc[nH]1)S(N)(=O)=O 816823717 DKUVHBFRFTWGLT-QMMMGPOBSA-N 288.329 -0.767 50 20 CBGD C[C@@]1(NNC(=O)NCCCC(=O)O)CCS(=O)(=O)C1 818080551 QRXOTMKBSSVYAW-SNVBAGLBSA-N 293.345 -0.768 50 20 CBGD Cc1ccnc2nc(C(=O)NN(C)[C@H](C)CO)nn12 823977355 UXOJJMIYGIEYAP-MRVPVSSYSA-N 264.289 -0.610 50 20 CBGD O=C(O)NCC(=O)NNC(=O)CSc1ccccc1O 833776932 CPPKZGLFYQWLOE-UHFFFAOYSA-N 299.308 -0.101 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 840444090 BEXMZPHEPVMNOI-HTQZYQBOSA-N 265.229 -0.679 50 20 CBGD CO[C@@H](CC(C)C)C(=O)NNC(=O)C(=O)NC(C)C 841376992 COXMJKLQQMUZQU-VIFPVBQESA-N 273.333 -0.281 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1n[nH]cc1[N+](=O)[O-] 843977045 FGIOCBZCRYXORP-PHDIDXHHSA-N 283.244 -0.496 50 20 CBGD O=C(NNC(=O)[C@H]1CCCS1(=O)=O)C1CCCC1 846812859 CCKDEADFDFNFNA-SECBINFHSA-N 274.342 -0.099 50 20 CBGD COCCCNC(=S)N(C)NC(=O)c1ncc[nH]1 854286680 WUVQEMXLIYRTLQ-UHFFFAOYSA-N 271.346 -0.103 50 20 CBGD Cn1cc([C@@H](O)C(=O)NNC(=O)CC(F)(F)F)cn1 855000358 GXHCLMFEXUPQHN-SSDOTTSWSA-N 280.206 -0.447 50 20 CBGD CCn1nncc1CNC(=O)NNc1cccnn1 858647767 VITLZGJYOCOKMG-UHFFFAOYSA-N 262.277 -0.086 50 20 CBGD COC(=O)C[C@@H](O)CNS(=O)(=O)CBr 859344469 VOOVTGIQAQXDDH-RXMQYKEDSA-N 290.135 -0.818 50 20 CBGD CCc1occc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862459562 VVCFILCAMIPVER-QMMMGPOBSA-N 265.269 -0.118 50 20 CBGD C[C@@]1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCCCO1 862460923 LHLHOSSYEALHCJ-UFBFGSQYSA-N 269.301 -0.628 50 20 CBGD O=C(CN1CCSC1=O)NNC(=O)c1cn[nH]c1 862473290 MTOSLMJWJMGYAQ-UHFFFAOYSA-N 269.286 -0.661 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NN=c1cc[nH]c(C)c1 862514868 ZTJDCYHGVMQFCC-GFCCVEGCSA-N 264.329 -0.024 50 20 CBGD C[C@@H](NC(=S)NNC(=O)Cc1nc[nH]n1)C1CC1 869219243 SZHWFEINGATGHU-ZCFIWIBFSA-N 268.346 -0.359 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)c1cccnn1 882060330 RALNWTZARLSXEM-NSHDSACASA-N 273.296 -0.665 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H]1COCCN1CC 887147083 XJVRZDVQWIBPHU-LLVKDONJSA-N 267.329 -0.342 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ncn(C(C)(C)C)n1 910148879 YNOIPMVVCMHABI-QMMMGPOBSA-N 255.322 -0.010 50 20 CBGD C[C@@H](O)CN(C)NC(=O)C1(S(C)(=O)=O)CCCC1 910163414 CDHNTXLFXQFHJV-SECBINFHSA-N 278.374 -0.312 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@@H](C)NC(=O)C(C)(C)C 910175354 NFGLCKFCFZEIBU-RKDXNWHRSA-N 259.350 -0.119 50 20 CBGD O=C(Cn1cc([N+](=O)[O-])cn1)NNC(=O)c1ccc[nH]1 912993948 XMLPGOOZIIFVBA-UHFFFAOYSA-N 278.228 -0.419 50 20 CBGD CCC1(C(=O)NNC(=O)CN2CCCC2=O)CCOCC1 913732035 FRUJFQZKSSOYDG-UHFFFAOYSA-N 297.355 -0.037 50 20 CBGD Cn1nc(C(=O)NNC(=O)c2ccccc2O)ccc1=O 917358656 HOHYDTWTABLANP-UHFFFAOYSA-N 288.263 -0.439 50 20 CBGD Cc1n[nH]cc1C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920383162 CCGWIVSLAOTHSN-SECBINFHSA-N 285.329 -0.462 50 20 CBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)NC(C)C 930994427 VXWWSOXEKQQZRB-HTQZYQBOSA-N 257.290 -0.076 50 20 CBGD COCCCNC(=O)NNC(=O)CCn1cncn1 1115897721 PKLXDHRTZKWNHU-UHFFFAOYSA-N 270.293 -0.965 50 20 CBGD Cc1nn(C)c(C)c1C(=O)NNC(=O)Cc1cc[nH]n1 1321001801 DLUORVPIMFHSAE-UHFFFAOYSA-N 276.300 -0.236 50 20 CBGD Cc1oc(C#N)cc1C(=O)NNC(=O)C(=O)NC(C)C 1321592112 OHZRUQQPVLUHSY-UHFFFAOYSA-N 278.268 -0.255 50 20 CBGD COC(=O)C(=O)NNC(=O)NC1C[C@@H](C)O[C@H](C)C1 1323268790 JOXVOEBHAWZXFK-RNFRBKRXSA-N 273.289 -0.554 50 20 CBGD CN(C)C(=O)NNC(=O)c1c(Br)nnn1C 1324041382 FDCSNKGYCKHKMY-UHFFFAOYSA-N 291.109 -0.506 50 20 CBGD O=C(NNc1ncccn1)[C@@H]1CCCS(=O)(=O)C1 1326704321 KSUYMACUEUMOQR-MRVPVSSYSA-N 270.314 -0.256 50 20 CBGD CC(C)(O)C(=O)NNC(=O)/C=C/c1ccc(C(N)=O)o1 1328290006 YSBFHUZAQJYOJE-GQCTYLIASA-N 281.268 -0.690 50 20 CBGD CC(=O)N1CC[C@@H](NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1 1329492222 SNHUUKMGDOHCKE-IEBDPFPHSA-N 298.343 -0.637 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1cncn1C 1329561143 IPUNTEJZTFLBBF-PSASIEDQSA-N 266.301 -0.465 50 20 CBGD CNC(=O)C1(C(=O)NNc2cnnn2C)CCC1 1331393330 OHPXVKKVWVJMRI-UHFFFAOYSA-N 252.278 -0.826 50 20 CBGD CC(C)(C)C(=O)NCCC(=O)N1CC[C@H](B(O)O)C1 1351729888 QABBCGAFIQQFPV-VIFPVBQESA-N 270.138 -0.386 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN[C@@H]1C[C@@H](N)C1(C)C 1575106909 XXBDTQXAAHYWJG-RKDXNWHRSA-N 270.377 -0.105 50 20 CBGD C[C@@H]1[C@H](NC(=O)NNC(=O)C2CCNCC2)CCN1C 1576578952 KFEMAJGVJLTDFP-MWLCHTKSSA-N 283.376 -0.591 50 20 CBGD O=C(O)CNC(=O)NN=Cc1cnn2cccnc12 1602072251 YKARDIDBNWJHQY-UHFFFAOYSA-N 262.229 -0.553 50 20 CBGD CCC(O)(CC)C(C)(C)CNC(=O)NNC(=O)C(=O)O 1605106951 HRPANXAEGQZSDM-UHFFFAOYSA-N 289.332 -0.021 50 20 CBGD Cc1cc(C)n2c(C=NNC(=O)C(=O)O)cnc2n1 1610458192 MIFAIQRLZWUJEG-UHFFFAOYSA-N 261.241 -0.119 50 20 CBGD CCN1C[C@H](C(=O)NNC(=O)Cc2ccncc2)CC1=O 81025354 CXNLGWCTULSXBP-LLVKDONJSA-N 290.323 -0.360 50 20 CBGD CCCNC(=O)NNC(=O)c1cc(-c2nnn[nH]2)cn1C 95171493 UGEJSQRLMUJLIA-UHFFFAOYSA-N 292.303 -0.441 50 20 CBGD CS(=O)(=O)CCNS(=O)(=O)CBr 127128800 CSGRXUGFZDHEMS-UHFFFAOYSA-N 280.165 -0.697 50 20 CBGD CN1CC[C@H](NS(=O)(=O)CBr)C1 127382962 FXWXSQWVBMSOCO-LURJTMIESA-N 257.153 -0.038 50 20 CBGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CO)cc1 270796099 YLWJYZUPPNKKOF-SECBINFHSA-N 282.296 -0.008 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1C 274044833 GBHRPZBDGBFKQK-UHFFFAOYSA-N 265.269 -0.618 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCCS1(=O)=O)c1ccncc1 274571375 CAGHGBNJOGBMHO-JTQLQIEISA-N 297.336 -0.190 50 20 CBGD Cc1cccc(C(=O)NNC(=O)[C@H](C)CS(C)(=O)=O)n1 279760287 FJKUJUMNVJSLHC-MRVPVSSYSA-N 299.352 -0.168 50 20 CBGD C=CCNC(=S)NNC(=O)CCCC(=O)N(C)C 281329419 TZFDHWYBVODLGG-UHFFFAOYSA-N 272.374 -0.074 50 20 CBGD CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NNC(C)=O 289437831 YMWPGUGBEBIEPV-QMMMGPOBSA-N 275.305 -0.307 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]21 290442834 HXTCRTZYJHGDOV-IVZWLZJFSA-N 285.369 -0.281 50 20 CBGD CC(C)S(=O)(=O)CCNC(=O)NNc1ncccn1 291919462 UEQUMFHVOVKCRC-UHFFFAOYSA-N 287.345 -0.074 50 20 CBGD CCOC(=O)NNC(=O)c1cccc(C(N)=O)n1 495104524 JJDLYXPZZRGNBK-UHFFFAOYSA-N 252.230 -0.429 50 20 CBGD O=C(CC[C@@H]1CCC(=O)N1)Nc1cccc(B(O)O)c1 584911126 GIQIZFIIYZOADY-JTQLQIEISA-N 276.101 -0.636 50 20 CBGD C[C@H](O)[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584971818 FKHJQGLFJZOFAB-ONGXEEELSA-N 263.102 -0.791 50 20 CBGD O=C(NCc1nnc(C2CC2)o1)c1ccc(B(O)O)cc1 584973694 FOUJAOAZJYMEIR-UHFFFAOYSA-N 287.084 -0.443 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@@](O)(C2CC2)C1 584982221 FZEQKAZAHNLBOE-AWEZNQCLSA-N 293.103 -0.508 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N(CCO)CC1CC1 584988885 UOKWSGRZXAKFNQ-UHFFFAOYSA-N 281.092 -0.650 50 20 CBGD C[C@H](O)[C@H]1CCCN1C(=O)c1ccc(B(O)O)c(F)c1 585008418 VHLKVHADIBGTHY-QPUJVOFHSA-N 281.092 -0.509 50 20 CBGD Cn1ncc2c1CCC[C@@H]2NCc1ccc(B(O)O)o1 585017647 GNDZPUMFOFMFOI-NSHDSACASA-N 275.117 -0.140 50 20 CBGD COCCN(C)CCCNCc1ccc(B(O)O)cc1 585017773 KXSYYLTXTXEDEP-UHFFFAOYSA-N 280.177 -0.576 50 20 CBGD C[C@H](NCc1ccc(B(O)O)cc1)c1ncnn1C 585037819 KVRLTSHPSNLAMM-VIFPVBQESA-N 260.106 -0.654 50 20 CBGD OB(O)c1ccc(CNCc2cnc3n2CCCC3)o1 585042881 WGSMRBRTQZNJHW-UHFFFAOYSA-N 275.117 -0.218 50 20 CBGD C[S@](=O)[C@H]1CCC[C@@H](NCc2ccc(B(O)O)o2)C1 585047465 PPTCQHLTAYVGJT-OKAXRFMISA-N 285.174 -0.261 50 20 CBGD OB(O)c1ccc(-c2noc([C@]3(O)CCOC3)n2)cc1 585052288 XOZRGAVVSDALKC-LBPRGKRZSA-N 276.057 -0.976 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)NCCn1ccnc1 729040839 IUTOESATDALUBY-UHFFFAOYSA-N 288.311 -0.149 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCO[C@@H](C#N)C1 732201639 IEWJQWCCCUEORI-MNOVXSKESA-N 282.344 -0.207 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCOC[C@@H]1C#N 746478812 NZHARAXRXVBTCF-MNOVXSKESA-N 282.344 -0.207 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1cccc(F)c1 748099172 WXNZHCAXNSIMMQ-UHFFFAOYSA-N 261.278 -0.182 50 20 CBGD COC[C@@H](NC(=O)NNC(=O)C(=O)NC1CC1)C1CC1 750445065 CVVGAJDVAAYUFD-SECBINFHSA-N 284.316 -0.980 50 20 CBGD O=C(CO)NNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 753444228 GWAINCNRQOLVCM-UHFFFAOYSA-N 279.212 -0.776 50 20 CBGD COCCOCCS(=O)(=O)NNC(=O)NCC1CC1 754750439 PFHZZOKPGTURSK-UHFFFAOYSA-N 295.361 -0.807 50 20 CBGD COCC(=O)NNC(=O)Nc1cc(C(=O)OC)ccn1 770684625 WZCPABIKMCSBNF-UHFFFAOYSA-N 282.256 -0.333 50 20 CBGD CN(NC(=O)CSCC(=O)N1CCCCC1)C(N)=O 778415503 IXOTUDFSQYPWDW-UHFFFAOYSA-N 288.373 -0.226 50 20 CBGD O=C(NCCNC(=O)c1cc[nH]n1)NNc1cccnn1 780051090 QPKCQCJENDOCFY-UHFFFAOYSA-N 290.287 -0.744 50 20 CBGD O=C(Cn1ccc(O)nc1=O)NNc1ccnc(F)c1 781363245 LOWFWLLJMYPYBW-UHFFFAOYSA-N 279.231 -0.374 50 20 CBGD CC(C)(O)CCC(=O)NNC(=O)C(=O)N1CCCC1 787274569 ILNLLURCHDGIMB-UHFFFAOYSA-N 271.317 -0.693 50 20 CBGD CC[C@H](NNC(=O)[C@@H](C)OCCOC)C(=O)OC 790444612 JSUWVGPQXUNUIC-BDAKNGLRSA-N 262.306 -0.390 50 20 CBGD C=C[C@@](C)(O)CC(=O)NNC(=O)c1cnn(C)c1 810416851 BQSGLYHCMKDVHS-LLVKDONJSA-N 252.274 -0.492 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C[C@@H]1CCCOC1 814835727 ZWEYKMOFVYPOSI-BDAKNGLRSA-N 277.346 -0.547 50 20 CBGD O=C(Cn1cnnn1)NNc1cccc(Cl)n1 817011079 FFVDBQPGPHYPRN-UHFFFAOYSA-N 253.653 -0.135 50 20 CBGD Cc1ccn(CC(=O)NN(C)[C@H](C)CO)c(=O)c1 823929252 WRZQTELBKMMWAG-SNVBAGLBSA-N 253.302 -0.499 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O 823977123 OWTBKURFMYDIJM-GJMOJQLCSA-N 297.277 -0.213 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CNC(C)(C)C(=O)O 826134902 HOYLKJHZNHTWSW-UHFFFAOYSA-N 259.306 -0.367 50 20 CBGD O=C(CO)NN=Cc1ccc(-c2nn[nH]n2)s1 826414575 BPDYZHGUDPEJKR-UHFFFAOYSA-N 252.259 -0.629 50 20 CBGD CCC[C@]1(C)C(=O)NCCN1CC(=O)NNC(=O)C(C)C 829106668 LEDVDSDBFMOIQE-CQSZACIVSA-N 298.387 -0.220 50 20 CBGD O=C(NNc1nc(-c2cccnc2)no1)[C@H]1CCN1 831890637 PJOFQKBLVKEIGS-MRVPVSSYSA-N 260.257 -0.063 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@@H]1CC[C@H](C)O1 838745646 PVGZIGNUEDPMKS-IUCAKERBSA-N 259.306 -0.079 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CC1OCCO1 843970365 DYQKFKAJWMWXNI-YUMQZZPRSA-N 258.274 -0.678 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)[C@@H]1CCCCO1)C(=O)O 848584281 SSAVANHLDZJNNY-YUMQZZPRSA-N 273.289 -0.393 50 20 CBGD Cc1nc(CC(=O)NNC(=S)N[C@@H](C)C2CC2)n[nH]1 855095446 LTCGBEVHWFVPJH-LURJTMIESA-N 282.373 -0.051 50 20 CBGD COc1cccc([C@@H](OC)C(=O)NNC(=O)CO)c1 857170921 VIUKXSAWIIWFAZ-LLVKDONJSA-N 268.269 -0.478 50 20 CBGD C[C@H]1CCCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858690613 AQZSUNQSSKTBGI-IUCAKERBSA-N 268.317 -0.262 50 20 CBGD COc1cc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)[nH]n1 861807142 UZMYTJGZNUYLNU-UHFFFAOYSA-N 299.287 -0.087 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1C 862449981 MMFOBLNRNAHLFB-QMMMGPOBSA-N 264.285 -0.627 50 20 CBGD Cc1ccncc1/C=C/C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862461022 KNWLLULQUPBPNV-FWEMWIAWSA-N 288.307 -0.171 50 20 CBGD CCOC1CC(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 862462261 PBAHSHAPIGOXKC-AMDVSUOASA-N 269.301 -0.773 50 20 CBGD Cc1ncc2n1CC[C@@H](C(=O)NNC(=O)c1cn[nH]c1)C2 862470021 HKCUAXSUGPOHMF-SECBINFHSA-N 288.311 -0.062 50 20 CBGD COC(=O)NCCCC(=O)NNC(=O)c1cn[nH]c1 862471641 IZAXYTBDZKPIMQ-UHFFFAOYSA-N 269.261 -0.693 50 20 CBGD CC(=O)NCCCCCC(=O)NNC(=O)c1cn[nH]c1 862473692 YDBGKVYPJXCTSI-UHFFFAOYSA-N 281.316 -0.133 50 20 CBGD CO[C@@](C)(C=NNC(=O)CS(C)(=O)=O)C1CC1 863185741 AQPGZENPDQOXGX-JTQLQIEISA-N 262.331 -0.052 50 20 CBGD C#CCN(C(=O)c1cc(B(O)O)ccc1F)C1CC1 863883681 JGGBOCVGBAQXSX-UHFFFAOYSA-N 261.061 -0.257 50 20 CBGD COCCOCC(=O)NNC(=S)NC1CCC1 865244978 XIMAFJNPOHXFIM-UHFFFAOYSA-N 261.347 -0.303 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@H](C(F)F)C1 868098004 RFRDDYSJGDMTLV-JTQLQIEISA-N 285.055 -0.528 50 20 CBGD CCO[C@H](C)C(=O)NNC(=O)Cc1cc(C)[nH]n1 869013218 RCQVPZCSLBAJLS-MRVPVSSYSA-N 254.290 -0.167 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2CCCC(=O)N2C)n1 906067735 OZRDKBSIELIWEM-QMMMGPOBSA-N 279.300 -0.061 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CCc2c[nH]nc2C1 910164018 QOHPROYVBACNAH-BDAKNGLRSA-N 252.318 -0.142 50 20 CBGD CCC(=O)N[C@@H](CCSC)C(=O)NN(C)C[C@@H](C)O 910170671 PEFOHZFIJRGLGJ-ZJUUUORDSA-N 291.417 -0.022 50 20 CBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)C(C)C 914881357 KJFNCYDHLAIVOF-UHFFFAOYSA-N 272.349 -0.754 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CCS(C)(=O)=O 917182481 KCBCKELCHXQMAK-UHFFFAOYSA-N 250.320 -0.385 50 20 CBGD CNC(=O)NNC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 919879887 MLIOLVJFBSZPCI-DTORHVGOSA-N 296.327 -0.488 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(C)(C)C 920299353 BNKXYICKNKNVBQ-LURJTMIESA-N 265.335 -0.882 50 20 CBGD CCCCNC(=O)NNC(=O)CS(=O)(=O)CCC 920822501 VFMUREJDZGJUPY-UHFFFAOYSA-N 279.362 -0.058 50 20 CBGD Cn1cc(C(=O)C(=O)NNC(=O)C(C)(C)C)cn1 1115926471 SSRMUKNKSCNIOK-UHFFFAOYSA-N 252.274 -0.204 50 20 CBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNc1ncc(F)cn1 1117710290 SMIWUOXCSHZZLA-QMMMGPOBSA-N 285.279 -0.808 50 20 CBGD O=C(NCCc1cnccn1)NNC(=O)c1ccc[nH]1 1254155444 YGLDEMVAVMADFA-UHFFFAOYSA-N 274.284 -0.009 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CCc2cncn2C1 1261671774 ZJRKCZRPDKNQTB-VIFPVBQESA-N 288.311 -0.441 50 20 CBGD NC(=O)NCCCCCC(=O)NNC(=O)C1CC1 1317786895 SSYVPWDWPGVIOO-UHFFFAOYSA-N 256.306 -0.228 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 1319094572 LWVCQFVTPUBCTP-JGVFFNPUSA-N 284.316 -0.885 50 20 CBGD COC(=O)C(=O)NNC(=O)Nc1ccc([N+](=O)[O-])cc1 1323483631 RDXCBULCDRCWFP-UHFFFAOYSA-N 282.212 -0.080 50 20 CBGD CN(C)C(=O)CCCC(=O)NNC(=O)c1cnn(C)c1 1330360263 TTXZEXGJFUDBBH-UHFFFAOYSA-N 281.316 -0.560 50 20 CBGD Cc1ccc(-c2cc(C(=O)NNC(=O)C(N)=O)n[nH]2)cc1 1330826563 BNFKIWLXZLQADX-UHFFFAOYSA-N 287.279 -0.369 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@@H](NC=O)C(C)C 1331261775 KXPYJUMESONOQI-QMMMGPOBSA-N 260.363 -0.339 50 20 CBGD CC[C@@H]1C[C@H](C(=O)NNC(=O)C(=O)NC2CC2)CCO1 1337452731 SIRQFLLXMXHRQA-PSASIEDQSA-N 283.328 -0.382 50 20 CBGD Cc1cccc(C(=O)NNC(=O)NC[C@H]2COCCO2)n1 1339599274 JEBWSPZCBIAEIN-JTQLQIEISA-N 294.311 -0.251 50 20 CBGD O=C(C[C@H]1C[C@H]2CC[C@H]1O2)NNC(=O)[C@H]1CCC(=O)N1 1351628695 SUGSERTVPYKTJV-ZYUZMQFOSA-N 281.312 -0.630 50 20 CBGD CC(C)C[C@@H](N)CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1575631682 SGAAUWQDIUWQFI-BDAKNGLRSA-N 270.333 -0.824 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@]2(C)CCCNC2)n[nH]1 1579589665 MCHSJZJGZMHAMM-CYBMUJFWSA-N 279.344 -0.202 50 20 CBGD C[C@]1(C(=O)NNC(=O)C2(C(=O)O)CCC2)CCCO1 1589181408 LLPCMWHJJISYJY-LLVKDONJSA-N 270.285 -0.042 50 20 CBGD CC(C)[C@H](CNC(=O)NNC(=O)C(=O)O)c1ccnn1C 1590984096 VMPKTZGAHVIHAC-QMMMGPOBSA-N 297.315 -0.425 50 20 CBGD O=C(O)C[C@@H]1CCC[C@H]1NC(=O)c1cccc(B(O)O)c1 1602106314 AAELSYGKIGXAFP-JOYOIKCWSA-N 291.112 -0.260 50 20 CBGD C[C@@H](O)c1ccc(CNC(=O)NNC(=O)C(=O)O)cc1 1609791328 PGZMNZRQEVSSCY-SSDOTTSWSA-N 281.268 -0.345 50 20 CBGD CCCOc1ncccc1CNC(=O)NNC(=O)C(=O)O 1609981256 XWSASYAKFDWKGJ-UHFFFAOYSA-N 296.283 -0.215 50 20 CBGD Cn1nnnc1SCCC(=O)NNc1ncccn1 48696323 ZYVPSHZEWAZWAZ-UHFFFAOYSA-N 280.317 -0.374 50 20 CBGD N#Cc1ccc(OCC(=O)NNC(=O)Cn2cccn2)cc1 185495612 VQTYKCVDKBBYIC-UHFFFAOYSA-N 299.290 -0.019 50 20 CBGD OB(O)c1c2ccccc2c(B(O)O)c2ccccc12 196928429 GPBKEFWZTVGDDM-UHFFFAOYSA-N 265.870 -0.647 50 20 CBGD COC(=O)NCC(=O)NNc1nccnc1Cl 265169583 OLKODPAODHFDMD-UHFFFAOYSA-N 259.653 -0.071 50 20 CBGD C[C@@H]1CCCN(C(=O)C(=O)NNC(=O)C2CC2)C1 274404722 BCKZHLHHAHSGAS-MRVPVSSYSA-N 253.302 -0.198 50 20 CBGD CCN(C)C(=O)[C@H](C)NC(=O)NNC(=O)[C@@H]1CCCO1 292488907 CJVMKHFFQMMHRK-IUCAKERBSA-N 286.332 -0.637 50 20 CBGD CN1CC[C@@H](NC(=O)NNc2ncncc2F)C1=O 292846919 YXSGRFJSPWCUNJ-SSDOTTSWSA-N 268.252 -0.528 50 20 CBGD O=C(CO)NNc1nnc(-c2ccccn2)s1 365090859 SFJGRMFWWUIYDD-UHFFFAOYSA-N 251.271 0.036 50 20 CBGD CC[C@@H](CNC(=O)c1cccc(B(O)O)c1)OC 584990730 IZKDHXLQONHVSJ-NSHDSACASA-N 251.091 -0.479 50 20 CBGD O=C(CCNCc1ccccc1B(O)O)NC1CCCC1 585018664 OEKNNQSEZBKNOF-UHFFFAOYSA-N 290.172 -0.095 50 20 CBGD CC(C)NC(=O)[C@@H](C)NCc1ccccc1B(O)O 585045487 BNSCHCMMTHREAE-SNVBAGLBSA-N 264.134 -0.631 50 20 CBGD O=C(NCB(O)O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O 585061735 FYENXAOXKVFDHA-SNVBAGLBSA-N 296.519 -0.179 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CC(C)(C)C 728610385 ZQNMQQUBEAPNFJ-ZETCQYMHSA-N 279.362 -0.492 50 20 CBGD C[C@H](CN1CCOCC1)NC(=O)NNC(=O)C1CCC1 732238675 JQTHGYXXXSLQBG-SNVBAGLBSA-N 284.360 -0.162 50 20 CBGD CC(C)C(=O)NNS(=O)(=O)C[C@H]1CCCO1 735647341 YNGYRQANWGIBQR-MRVPVSSYSA-N 250.320 -0.228 50 20 CBGD CCNS(=O)(=O)CCNC(=O)NNc1cccnn1 736388299 XKGGEUKDEFUVMZ-UHFFFAOYSA-N 288.333 -0.958 50 20 CBGD CCOCC(=O)NNC(=O)NC1COC(C)(C)OC1 758731661 OUISTUSSVRSHNI-UHFFFAOYSA-N 275.305 -0.495 50 20 CBGD CNc1nnc(CC(=O)NNC(=O)NCC2CC2)s1 759589106 BNLPERRAQCOPJC-UHFFFAOYSA-N 284.345 -0.137 50 20 CBGD CCNC(=O)NNC(=O)Cc1nnc(NC)s1 759590200 IDIYQNJLSHQYRN-UHFFFAOYSA-N 258.307 -0.527 50 20 CBGD CCOCC(=O)NNC(=O)NCCC1(C)OCCO1 760155398 ABCQYGYRJXPAGX-UHFFFAOYSA-N 275.305 -0.494 50 20 CBGD Cc1ccc(C(=O)NNC(=O)Cn2cc(CO)nn2)cc1 761783918 HLPJQEKEUMIIOJ-UHFFFAOYSA-N 289.295 -0.460 50 20 CBGD COc1nccnc1NNC(=O)[C@H]1CCNC(=O)C1 764465401 XMYDJNSFXPAPCN-ZETCQYMHSA-N 265.273 -0.546 50 20 CBGD CCc1nn(C)cc1C=NNC(=O)C(=O)NC1CC1 770595008 BCANCQHQFBSDFX-UHFFFAOYSA-N 263.301 -0.289 50 20 CBGD Cc1ncc(C(=O)NNC(=O)c2ccccn2)c(N)n1 772708580 ZNSPOAUQMHFHGX-UHFFFAOYSA-N 272.268 -0.163 50 20 CBGD CNC(=O)CN(C)CC(=O)NNC(=O)c1cccs1 782579695 QQDXZEJKQSQEKH-UHFFFAOYSA-N 284.341 -0.813 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(CC)CCOCCO 800429019 BXKRSAKXSNNNOW-SNVBAGLBSA-N 275.349 -0.737 50 20 CBGD COCCN(C)NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 808075357 WARFGCXWTVRXAG-ZDUSSCGKSA-N 298.343 -0.684 50 20 CBGD COC[C@H]1CCCN1CC(=O)NNC(=O)C(C)C 827985097 HVDJGXKGZCSSFZ-SNVBAGLBSA-N 257.334 -0.099 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)C(=O)N2CCCC2)CO1 828427144 JDNOCZZLAWQALZ-RKDXNWHRSA-N 284.316 -0.883 50 20 CBGD N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)c1 847441544 ZMJSWWVCUUPBPT-WDEREUQCSA-N 286.291 -0.169 50 20 CBGD Cc1cc(NNC(=O)[C@H]2CCCS2(=O)=O)ncn1 848369910 HYQXRBLZRJBKGZ-MRVPVSSYSA-N 270.314 -0.195 50 20 CBGD COCCCNC(=S)N(C)NC(=O)CCCC(N)=O 854280863 GOSWULHXDADXOF-UHFFFAOYSA-N 290.389 -0.484 50 20 CBGD COCCn1cc(C(=O)NNC(=O)CC(F)(F)F)nn1 854997264 BOTQUKWMXIIAJA-UHFFFAOYSA-N 295.221 -0.362 50 20 CBGD CO[C@@H](C)[C@@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858468271 FTCJPTUFMDCYRA-GJMOJQLCSA-N 272.305 -0.981 50 20 CBGD COC(=O)[C@@H]1C[C@H]2CC(=NNC(=O)[C@@H]3CCC(=O)N3)[C@H]1C2 863151046 GJTIQUXHIUDQKU-QEYWKRMJSA-N 293.323 -0.044 50 20 CBGD COC(=O)[C@@](C)(NC(=O)c1cccc(B(O)O)c1)C1CC1 863872938 QMKVNZPDBQUXMC-AWEZNQCLSA-N 291.112 -0.562 50 20 CBGD O=C(NOC1CCOCC1)c1cc(B(O)O)ccc1F 863879542 VFBWNGMKTVWODU-UHFFFAOYSA-N 283.064 -0.654 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cnn(CC2CC2)c1 865046100 FUQKJUOIBJJHEK-UHFFFAOYSA-N 293.327 -0.020 50 20 CBGD Cc1ccn(C[C@H](C)C(=O)NNC(=O)N2CCOCC2)n1 865046455 KCEJILRTZOJJGR-JTQLQIEISA-N 295.343 -0.099 50 20 CBGD COCCOCC(=O)NNC(=O)[C@]1(C)CCCCO1 869905865 SNYROPLLAYJBFD-LBPRGKRZSA-N 274.317 -0.244 50 20 CBGD COc1cc(C)nc(NNC(=O)CN2CCNCC2)n1 876668499 LSGJFTHYOOIJKJ-UHFFFAOYSA-N 280.332 -0.858 50 20 CBGD CCn1ncc(C(=O)NNC(=O)CO)c1C1CC1 879395477 LLVIZKFANGCJSF-UHFFFAOYSA-N 252.274 -0.466 50 20 CBGD CO[C@@H]1COC[C@H]1NC(=O)NNC(=O)C1CCOCC1 883705772 QYGBBGLQTPHJBH-NXEZZACHSA-N 287.316 -0.843 50 20 CBGD O=C(CO)NNC(=O)[C@@H]1CCN(Cc2ccccc2)C1=O 897605570 GFOIJZUCZQFJHW-NSHDSACASA-N 291.307 -0.825 50 20 CBGD CNC(=S)N(C)NC(=O)[C@]1(OC)CCSC1 910002724 VAYRGFOTBRIZQW-VIFPVBQESA-N 263.388 -0.024 50 20 CBGD CC(C)NC(=O)CNC(=S)NNC(=O)c1cnn(C)c1 1116084019 NETOMCWFMXFWNV-UHFFFAOYSA-N 298.372 -0.946 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H](C)c1ncn(C)n1 1116711042 FSWFFLRNNNXRJC-SFYZADRCSA-N 268.321 -0.588 50 20 CBGD O=C(CCC(F)(F)F)NNC(=O)[C@@H]1CCC(=O)N1 1118943201 LPGXWMPDSYYMPR-YFKPBYRVSA-N 267.207 -0.245 50 20 CBGD O=C(CCOCC(F)F)N1CC[C@@H](B(O)O)C1 1118975376 NOBXTNIZECKTHS-SSDOTTSWSA-N 251.038 -0.267 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2ccco2)CN1 1251280039 LEZMDFPNXDKQAZ-QMMMGPOBSA-N 280.284 -0.364 50 20 CBGD CCCCNC(=O)NNC(=O)c1ccc(O)nn1 1251280314 VGJOORBSNXYYGF-UHFFFAOYSA-N 253.262 -0.074 50 20 CBGD CC(C)CN1CCC[C@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1262633111 BWEUBJVVJRBDJD-QWRGUYRKSA-N 296.371 -0.467 50 20 CBGD COCCOCCS(=O)(=O)NNC(=O)c1ccc[nH]1 1319468386 WVADJHWXESTBHL-UHFFFAOYSA-N 291.329 -0.758 50 20 CBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cnn(C)c1 1320357968 WEEYHGXJCLEDNG-SSDOTTSWSA-N 267.289 -0.448 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1cc(C)[nH]n1 1323525605 IZQDTERJPNAWBV-SECBINFHSA-N 299.331 -0.400 50 20 CBGD C[C@H](NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(F)(F)F 1329064273 VRAFEUOOBHXBQG-NTSWFWBYSA-N 274.264 -0.007 50 20 CBGD CC[C@@H](C#N)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1329615728 LMEFAYJGOQLVIQ-JGVFFNPUSA-N 273.314 -0.882 50 20 CBGD COC(=O)C(=O)NN[C@H](C(=O)OC)c1ccc(F)cc1 1330772934 GQCZSDYVFUJDFN-VIFPVBQESA-N 284.243 -0.166 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C=C1CCSCC1 1331835049 WNMKZADKDVQGQA-UHFFFAOYSA-N 292.382 -0.368 50 20 CBGD COCCn1ccc(C(=O)NNC(=O)C2CCOCC2)n1 1333447490 AURPBPFUOTXYCE-UHFFFAOYSA-N 296.327 -0.283 50 20 CBGD CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 1337392840 AGIVTQJHYUWPIA-UWVGGRQHSA-N 283.328 -0.429 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1occc1C 1343760553 VAGJLRQWFKKCNL-UHFFFAOYSA-N 255.230 -0.409 50 20 CBGD CC[C@@H](C)[C@@H](CNC(=O)NNC(=O)C(=O)OC)OC 1344564706 AYJRQYORMIGDHD-HTQZYQBOSA-N 275.305 -0.449 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H]1CCCS(=O)(=O)C1 1349523537 ULZFWZBZLJPDTE-QMMMGPOBSA-N 293.414 -0.285 50 20 CBGD CC(C)[C@@H](N)CNC(=O)NNC(=O)c1cnsn1 1575461889 XYFTVLMLHXGUQI-LURJTMIESA-N 272.334 -0.535 50 20 CBGD CC(C)NC(=S)NNC(=O)c1cc(N)nn1C 1575722051 FSXKWYVHEWBDBJ-UHFFFAOYSA-N 256.335 -0.480 50 20 CBGD C[S@@](=O)c1ccc(CC(=O)NNC(=O)[C@@H]2CCN2)cc1 1579357965 SZEZKWLTYOZLEU-PRWKNARSSA-N 295.364 -0.524 50 20 CBGD N[C@H]1C[C@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)C1 1580429989 FIWRNHPWIFRMAI-CIUDSAMLSA-N 256.306 -0.624 50 20 CBGD CC(C)(CCNC(=O)NNC(=O)c1ncon1)C(=O)O 1588773573 ZTRSKSZHHZNLMN-UHFFFAOYSA-N 285.260 -0.486 50 20 CBGD CNC(=S)N(C)NC(=O)C1(C(=O)O)CCOCC1 1593797604 RWBUHZVLQRHLAK-UHFFFAOYSA-N 275.330 -0.665 50 20 CBGD O=C(O)CC[C@@H]1CC[C@H](C(=O)N2CC[C@H](B(O)O)C2)O1 1602034069 BZKVHGSKGVTLIE-LPEHRKFASA-N 285.105 -0.526 50 20 CBGD Cc1cc(C(=O)NNC(=O)C2(C(=O)O)CCOCC2)n[nH]1 1605120436 GUYLFSVPTWDEMH-UHFFFAOYSA-N 296.283 -0.639 50 20 CBGD Cc1cccc(CCCNC(=O)NNC(=O)C(=O)O)n1 1610521481 VMSPLQNHJMJWRJ-UHFFFAOYSA-N 280.284 -0.262 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cnns2)n1 48608885 POHVFKOYLXBQHA-UHFFFAOYSA-N 280.313 -0.187 50 20 CBGD CCS(=O)(=O)CC(=O)NNC(=O)NC1CCCC1 49430773 QQPJPRDSSDEPMP-UHFFFAOYSA-N 277.346 -0.306 50 20 CBGD CC(=O)NNC(=O)CCc1ccc(-c2nnn[nH]2)cc1 95131424 PMHIMGWYJJWIES-UHFFFAOYSA-N 274.284 -0.033 50 20 CBGD CCO[C@H](C)C(=O)NNC(=O)C(=O)NC(CC)CC 265860079 GFIMNRCPMCGIKJ-MRVPVSSYSA-N 273.333 -0.136 50 20 CBGD CN(CCO)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 267919102 NGGZGYOWNZGSAP-UHFFFAOYSA-N 296.283 -0.720 50 20 CBGD C[C@@H]1CN(C(=O)NNC(=O)C(C)(C)C)C[C@H](C(N)=O)O1 268430908 IQZWYRCSXLTAEB-HTQZYQBOSA-N 286.332 -0.652 50 20 CBGD CSCCNC(=S)NNC(=O)/C=C/CN(C)C 271390008 IUAVYPDTJHOHGQ-SNAWJCMRSA-N 276.431 -0.038 50 20 CBGD COCCCOCC(=O)NNC(=O)c1cc(C)n[nH]1 271931407 PPQXKDBEDIWESS-UHFFFAOYSA-N 270.289 -0.468 50 20 CBGD O=C(CN1CCOCC1)NNc1ccnc(F)c1 272851136 UDROGWCZZTUJOW-UHFFFAOYSA-N 254.265 -0.004 50 20 CBGD CC(=O)Nc1nc(C(=O)NNC(=O)C(C)(C)O)cs1 276276989 PLCCPLBRXMTTJV-UHFFFAOYSA-N 286.313 -0.367 50 20 CBGD COC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ncnc2nc[nH]c12 288218382 ZLYUHMFOCNSZOP-NKWVEPMBSA-N 290.283 -0.005 50 20 CBGD C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1nnc[nH]1 293878622 JMMVUIMHRBJSOT-YUMQZZPRSA-N 255.278 -0.168 50 20 CBGD O=C(CC1CC1)NNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 294040991 DYEOOZGBKNCRKC-UHFFFAOYSA-N 294.267 -0.296 50 20 CBGD COc1nccc(NC(=O)NNC(=O)[C@@H]2CCCO2)n1 296914747 PDHJMTTWQHUFOJ-ZETCQYMHSA-N 281.272 -0.183 50 20 CBGD COc1nccnc1NNC(=O)[C@@H]1C[C@@]12CCOC2 364086857 POURNQZNSCFGQI-QPUJVOFHSA-N 264.285 0.355 50 20 CBGD CN(Cc1nncn1C)S(=O)(=O)CBr 389335564 WLAYTGGXCISMMC-UHFFFAOYSA-N 283.151 -0.071 50 20 CBGD CC[C@](C)(CO)C(=O)Nc1cccc(B(O)O)c1 584911583 JYVSPFKWTYPYJV-GFCCVEGCSA-N 251.091 -0.287 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCN(C2CC2)CC1 584938836 IOYYLBAAPCIVNY-UHFFFAOYSA-N 292.119 -0.574 50 20 CBGD CC(C)[C@H](O)CCNC(=O)c1ccc(B(O)O)c(F)c1 584949257 DEELEZFAPQQLKI-GFCCVEGCSA-N 283.108 -0.358 50 20 CBGD COC[C@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@H](C)O1 584979240 OIAIFAAIBITXOL-GXFFZTMASA-N 293.128 -0.758 50 20 CBGD C[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1CCO 585006513 MUUUZSMSWPAPPG-BXUZGUMPSA-N 291.156 -0.011 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@]1(C)CO 585009030 PMAGDLUQEPLSHH-LKFCYVNXSA-N 295.119 -0.404 50 20 CBGD OB(O)c1ccc(CNCCCO[C@@H]2CCOC2)c(F)c1 585029562 AWQKEBZVOVXPIL-CYBMUJFWSA-N 297.135 -0.209 50 20 CBGD CSCC[C@@H](CO)NCc1ccc(B(O)O)o1 585029631 IAAGDPMNXQFNQO-QMMMGPOBSA-N 259.136 -0.837 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cccnc1 728437250 OFSVUTUQAJAYRG-QMMMGPOBSA-N 270.314 -0.531 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CSCC(N)=O)c1 735655653 HXDAYTVGVPNWKL-UHFFFAOYSA-N 281.337 -0.025 50 20 CBGD O=C(Cc1ccccn1)NNC(=O)[C@@H]1C[C@H]1C(=O)O 739349438 MPEUUYSXOMVWIO-RKDXNWHRSA-N 263.253 -0.508 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)[C@H]1CCOC1 741764451 JXKVQHRFZPJABG-IUCAKERBSA-N 277.346 -0.547 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCS(=O)CC1 744398188 BJXNQBRGBUKCDY-UHFFFAOYSA-N 275.374 -0.756 50 20 CBGD O=C(CO)NNC(=O)CCNC(=O)c1ccsc1 753443997 GAHPPSFJXOPJEF-UHFFFAOYSA-N 271.298 -0.992 50 20 CBGD Cn1ncc(C(=O)NNC(=O)C2CCCC2)c1N 757828903 XTHKJOBJQZUHEN-UHFFFAOYSA-N 251.290 -0.047 50 20 CBGD C[C@H]1CC(=O)CC[C@H]1C(=O)NNC(=O)C(C)(C)O 768244114 IVZWKUSUDFJCGW-IONNQARKSA-N 256.302 -0.090 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1c(O)cccc1F 771928643 NXNVZUIYWSWTNX-UHFFFAOYSA-N 283.259 -0.183 50 20 CBGD CCNC(=O)N(C)NC(=O)CCCN1C(=O)CCC1=O 780705938 IOWLQKPCGISUFZ-UHFFFAOYSA-N 284.316 -0.392 50 20 CBGD CC(C)[C@@H](NS(C)(=O)=O)C(=O)NN=c1cc[nH]cc1 781020538 YUKCBTADXLXLGJ-SNVBAGLBSA-N 286.357 -0.480 50 20 CBGD C=CCNC(=S)NNC(=O)[C@H]1CCc2nnc(C)n2C1 798306584 MMNWHSAKBSIJAI-VIFPVBQESA-N 294.384 -0.170 50 20 CBGD NC(=O)NN=Cc1ccc(S(N)(=O)=O)c(Cl)c1 807943935 SOQUFHAVNFGUBQ-UHFFFAOYSA-N 276.705 -0.010 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(CCO)C[C@@H](C)O 810039990 LCHKTSGHNGKQSE-GHMZBOCLSA-N 289.376 -0.757 50 20 CBGD C=C[C@H](O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 816814341 OGUXINKCCJEODZ-GZMMTYOYSA-N 278.264 -0.479 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)C[C@H]1CCCN1C 817292913 XQVWOBFGPLHSAX-GHMZBOCLSA-N 270.377 -0.042 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)[C@@H](C)C(=O)O 817858578 JPESNFNAFSRVPR-BDAKNGLRSA-N 273.333 -0.027 50 20 CBGD O=C(O)CCNC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 819492456 JTPFFOFHHPHIOV-JTQLQIEISA-N 293.279 -0.205 50 20 CBGD CCN(CCO)NC(=O)[C@H](C)N1CCSCC1 823869432 JGPXDRWSMKCYRW-JTQLQIEISA-N 261.391 -0.231 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CN1CCOC1=O 824016863 UKGQWXZHIZBCDF-HTQZYQBOSA-N 271.273 -0.989 50 20 CBGD C[C@H]1CCN(S(=O)(=O)NNC(=O)[C@@H]2CCCCO2)C1 830036980 HTEWAOZDFMAWSJ-UWVGGRQHSA-N 291.373 -0.237 50 20 CBGD O=C(CNC(=O)[C@H]1CCCN1)NNc1ccccc1 831742046 TVRPAYRTRNNGEL-LLVKDONJSA-N 262.313 -0.002 50 20 CBGD Cc1sc(Br)nc1C(=O)NNC(=O)CO 839720463 HORMBHYOBSJYKL-UHFFFAOYSA-N 294.130 -0.033 50 20 CBGD CC(C)S(=O)(=O)CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843643470 IEFHWHYAOSOOSW-DTWKUNHWSA-N 292.357 -0.618 50 20 CBGD CCn1nncc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843662656 UNHRABJRJRXLSI-YUMQZZPRSA-N 267.289 -0.516 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)[C@@H]1CCNC1=O 854246795 ORXYONWXOOINCP-SNVBAGLBSA-N 261.281 -0.108 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cnn3c2CCC3)CC1 854381798 RCLDNROWFWQOBK-UHFFFAOYSA-N 292.343 -0.569 50 20 CBGD NC(=O)C1(C(=O)NNC(=S)NCC2CCC2)CC1 855091593 WOPVOQJRJGGFGS-UHFFFAOYSA-N 270.358 -0.453 50 20 CBGD CC(C)(C)n1nnc(CC(=O)NNC(=O)c2cc[nH]n2)n1 855354857 KVQJKHCPMNKSHW-UHFFFAOYSA-N 292.303 -0.845 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNC(=O)c1cccc(F)n1 856423019 KJQKMGXOMURRNO-JTQLQIEISA-N 296.302 -0.298 50 20 CBGD O=C(NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21)C(=O)NC1CC1 858167818 IYOJYWKETQNNKC-YNEHKIRRSA-N 299.330 -0.002 50 20 CBGD CCN(CCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 858195541 ZJFVDAHYMJLALF-JTQLQIEISA-N 297.359 -0.920 50 20 CBGD C[C@@H]1O[C@H](C)[C@@H](C(=O)NNC(=O)C(C)(C)O)[C@@H]1C 861205837 LSSITHUFDQEXRR-XAVMHZPKSA-N 258.318 -0.036 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccnc(C3CC3)c2)N1 862460209 DLCQHRQVVCLVCK-SNVBAGLBSA-N 288.307 -0.001 50 20 CBGD Cn1cc2c(n1)CCCC2=NNC(=O)[C@H]1CCC(=O)N1 863152954 JPXICPGTFMFJNZ-LLVKDONJSA-N 275.312 -0.145 50 20 CBGD CCO[C@@H](C(=O)NNC(=O)COCCOC)C1CC1 869901668 VBAVLNZONHAUTI-LLVKDONJSA-N 274.317 -0.388 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@](C)(OC)C1CC1 869904250 UDXXDSZZJYRQFY-LBPRGKRZSA-N 274.317 -0.388 50 20 CBGD O=C(CNCc1ccccc1B(O)O)NC1CCCC1 877010019 ILDMNNFRNWSULY-UHFFFAOYSA-N 276.145 -0.485 50 20 CBGD COCCN(C)NC(=O)c1nc(C2CC2)nn1C 883128635 PAJBPNCYGUXWCM-UHFFFAOYSA-N 253.306 -0.085 50 20 CBGD CCCOCC(=O)NNC(=O)CN1CCCC1=O 913730402 UFIUXGBJFAIRQJ-UHFFFAOYSA-N 257.290 -0.817 50 20 CBGD C[C@H](NS(=O)(=O)CCl)[C@@H]1CN(C)CCN1C 919982110 REIBLEVVHPSQGZ-IUCAKERBSA-N 269.798 -0.264 50 20 CBGD COCCn1cc(C(=O)NNC(=O)OC)ccc1=O 1116603238 BGVUAQLDUNOUKN-UHFFFAOYSA-N 269.257 -0.505 50 20 CBGD CN(C)C(=O)NNC(=O)c1cnn2c1OCCC2 1117702476 YXPHETYOYNPWIO-UHFFFAOYSA-N 253.262 -0.418 50 20 CBGD Cc1nnsc1C=NNC(=O)[C@@H]1CCC(=O)N1 1118948643 DNSGYSHNEJKJKD-LURJTMIESA-N 253.287 -0.425 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ccnc(O)c2)CC1 1256186283 ZUDGVNQBEZYKMV-UHFFFAOYSA-N 279.300 -0.611 50 20 CBGD C=CCCn1cc(C(=O)NNc2nccn(C)c2=O)nn1 1261439160 CGGNHDSOAICQGG-UHFFFAOYSA-N 289.299 -0.295 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C)n1ccnc1 1318784501 PEYGLOOVROOWMS-SECBINFHSA-N 295.343 -0.104 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1CCn2cncc2C1 1319506480 KRIUGPCVTBLHBE-SNVBAGLBSA-N 295.343 -0.188 50 20 CBGD CCn1cc(C(=O)C(=O)NNC(=O)N2CCOCC2)cn1 1319745574 CJGWTRTUEOEWOO-UHFFFAOYSA-N 295.299 -0.841 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccn1 1328690023 TURJCPRPFNCYAN-WCBMZHEXSA-N 291.311 -0.248 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@](O)(CC#N)C1 1329273998 VPUZTFOKAGULPZ-BXKDBHETSA-N 268.317 -0.717 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2cccc(CO)c2)N1 1329531506 UOPFZOSTKSEDSO-SNVBAGLBSA-N 277.280 -0.782 50 20 CBGD COCCOCC(=O)NNC(=O)COCc1ccncc1 1329976595 JCFIUCQGNDEJLO-UHFFFAOYSA-N 297.311 -0.591 50 20 CBGD Cc1conc1NC(=O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 1332156951 LDJKYSPGNPTCAU-YUMQZZPRSA-N 296.283 -0.506 50 20 CBGD NCCNC(=O)NNC(=O)CCCCN1CCCC1 1580311347 PTZCQCKGBTUYMB-UHFFFAOYSA-N 271.365 -0.458 50 20 CBGD O=C(NNC(=O)C1CCCC1)C1=NOC2(CNC2)C1 1580733138 MSCUYNXFQMSDJQ-UHFFFAOYSA-N 266.301 -0.558 50 20 CBGD CCNC(=O)N(C)NC(=O)CC[C@@H]1C[C@H](C(=O)O)CO1 1596463163 RICKQLKOHCTGST-DTWKUNHWSA-N 287.316 -0.051 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@@H](N)CC(=O)O)n1 1599394246 HPOVTHXBBLBBGL-LURJTMIESA-N 269.261 -0.961 50 20 CBGD C[C@@]1(C(=O)O)CN(S(=O)(=O)CCl)CCO1 1776507556 GDKXARXJFRPVEI-ZETCQYMHSA-N 257.695 -0.312 50 20 CBGD C[C@@H](O)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1846169119 WIOUJSNWRUWFEK-BDAKNGLRSA-N 290.747 -0.830 50 20 CBGD O=C(CCN1C(=O)CCC1=O)NNC(=O)c1ccccn1 7909962 QRLHIQMNLDWZIF-UHFFFAOYSA-N 290.279 -0.618 50 20 CBGD CCOC(=O)/C(C#N)=C/NNC(=O)CCN(C)C 48380374 NTBGLDKAYLASFS-CMDGGOBGSA-N 254.290 -0.471 50 20 CBGD O=C(CN1CC[C@@H](C(=O)O)C1)NNC(=O)c1cccs1 62133636 YYCJFODUBMPGFN-MRVPVSSYSA-N 297.336 -0.084 50 20 CBGD C[C@H](NC(=O)c1cccs1)C(=O)NNC(=O)CN(C)C 75653463 OPJZIKSPEHKKOW-QMMMGPOBSA-N 298.368 -0.425 50 20 CBGD COC(=O)NCC(=O)NNC(=O)CNc1ccccc1 264302385 JOESESPRQDZENH-UHFFFAOYSA-N 280.284 -0.398 50 20 CBGD CC(=O)N[C@@H](C(=O)NN(C)C(N)=O)C1CCCC1 271254784 FMLMVTJAMOYLMY-SECBINFHSA-N 256.306 -0.277 50 20 CBGD CN(C)CCN1C[C@@H](C(=O)NNc2cccnn2)CC1=O 273170544 LSPURZRWVHXLJR-JTQLQIEISA-N 292.343 -0.670 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cnc(O)c([N+](=O)[O-])c1 277994366 QBAPKNMHYPHAON-UHFFFAOYSA-N 284.228 -0.773 50 20 CBGD COC(=O)NCCCC(=O)NNC(=O)[C@@H]1CCCO1 293924746 HDWBJCCJEOHXRP-QMMMGPOBSA-N 273.289 -0.551 50 20 CBGD Cn1cc2c(n1)CCC[C@@H]2C(=O)NNC(=O)C(C)(C)O 369746817 YYQSENLHAVRMTF-QMMMGPOBSA-N 280.328 -0.242 50 20 CBGD COC(=O)NNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 490576078 JLQGHTGSAJPRCK-HTQZYQBOSA-N 283.284 -0.451 50 20 CBGD COC(=O)N(C)NC(=O)c1nc2nccc(C)n2n1 495626116 OGJBEXQRTBTSQK-UHFFFAOYSA-N 264.245 -0.224 50 20 CBGD C[C@H](CNC(=O)c1cccc(B(O)O)c1)N(C)C 584935619 SBXSRMXYJFIFFM-SECBINFHSA-N 250.107 -0.954 50 20 CBGD CCN(CC(C)(C)O)C(=O)c1cc(B(O)O)ccc1F 584958073 ULIRTGUKOCEWBV-UHFFFAOYSA-N 283.108 -0.262 50 20 CBGD C[C@H]1CN(C)[C@H](C)CN1C(=O)c1cccc(B(O)O)c1 584970403 YRMVPCPYKSGTBY-MNOVXSKESA-N 276.145 -0.469 50 20 CBGD CCN1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H](C)C1=O 584974535 PLZVFTRBSDURSX-SNVBAGLBSA-N 290.128 -0.941 50 20 CBGD C[C@H]1[C@@H](CO)CCCN1C(=O)c1cc(B(O)O)ccc1F 585000044 IUOWIJQTMSKIBY-VHSXEESVSA-N 295.119 -0.262 50 20 CBGD C[C@@H](CN1CCOCC1)NCc1ccccc1B(O)O 585015954 OPISAGNCXMFJEW-LBPRGKRZSA-N 278.161 -0.823 50 20 CBGD Cc1nnc2n1CCC[C@H]2NCc1ccc(B(O)O)o1 585026336 LWDLOERQTJMNMS-SNVBAGLBSA-N 276.105 -0.516 50 20 CBGD COC[C@@H](CNCc1ccccc1B(O)O)OC 585034348 IHNTZFBQXBFEPP-LLVKDONJSA-N 253.107 -0.883 50 20 CBGD Cc1nc([C@@H](C)NCc2ccc(B(O)O)o2)no1 585041103 TZXJDSMHZNICFJ-ZCFIWIBFSA-N 251.051 -0.498 50 20 CBGD CC(C)(C)[C@H](O)C[C@H](CO)NCc1ccc(B(O)O)o1 585042850 WBEJAPQDXSLTGM-MWLCHTKSSA-N 285.149 -0.793 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)Cn1cncn1 730780486 WUGZVGHWSVEOEX-UHFFFAOYSA-N 291.267 -0.790 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CC(=O)NC(C)C 731849868 ITTLDIDNPQUCJQ-SECBINFHSA-N 272.349 -0.611 50 20 CBGD CCNC(=O)CCC(=O)NNC(=O)c1ccc[nH]1 732051903 CAEUSEFRIUYUGT-UHFFFAOYSA-N 252.274 -0.308 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H](C)N2C(=O)CCC2=O)o1 752777639 OVDPOPDYSXZQOO-QMMMGPOBSA-N 293.279 -0.113 50 20 CBGD COCC(=O)NNC(=O)Nc1nc2nc(C)cc(C)n2n1 761851229 BGLMNNAYECKGBY-UHFFFAOYSA-N 293.287 -0.460 50 20 CBGD CNC(=O)NCC(=O)NNc1ccc(OC)cc1[N+](=O)[O-] 761958239 WAGROUQHIQKJPZ-UHFFFAOYSA-N 297.271 -0.025 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1cc(Cl)ccc1F 764420889 GPAIXMSYPMDLOK-UHFFFAOYSA-N 289.650 -0.443 50 20 CBGD Cc1nc(CC(=O)NNC(=O)C(=O)NC(C)C)c(C)s1 764608291 PIQOSTOQHZGZRY-UHFFFAOYSA-N 298.368 -0.026 50 20 CBGD C[C@@H]1C[C@H](C(=O)NNC(=O)C(C)(C)O)CCC1=O 768240967 HKVJNFQZNSMMRY-HTQZYQBOSA-N 256.302 -0.090 50 20 CBGD CCCN(CC(=O)NNC(=O)C1CC1)CC(=O)OC 771792063 VKKAEQDWKPBTOB-UHFFFAOYSA-N 271.317 -0.571 50 20 CBGD COc1cc(O)c(C=NNC(=O)CO)cc1OC 776779347 IABDJZCKUZPZII-UHFFFAOYSA-N 254.242 -0.148 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCC(C)(C)C#N 781954377 SIVMLZAUFGBGNL-VIFPVBQESA-N 286.332 -0.082 50 20 CBGD CC(C)N(C)CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 792848286 FISSPGDZSZKGQX-LLVKDONJSA-N 291.417 -0.181 50 20 CBGD CC(C)C(=O)NNC(=O)c1cc(S(N)(=O)=O)cn1C 793055423 REJSBQXCYBJRLA-UHFFFAOYSA-N 288.329 -0.911 50 20 CBGD C=CCNC(=S)NNC(=O)Cn1cc(C)cn1 798305928 MBLRKXRTJZRXOI-UHFFFAOYSA-N 253.331 -0.127 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)N(C)C)[nH]1 814669253 NTEMJPPAIKZKNG-UHFFFAOYSA-N 254.246 -0.283 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cnnn1CC 815527724 OBEKHLSGJABJQT-ZETCQYMHSA-N 283.288 -0.599 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@@H]2CC(=O)NC(=O)N2)n1 816837367 SCECHDIBKCLMFI-ZETCQYMHSA-N 278.272 -0.865 50 20 CBGD C[C@@H](CC(=O)NNC(=O)Cc1cc[nH]n1)n1cccn1 819252523 IPEZEEXZRISNAM-VIFPVBQESA-N 276.300 -0.053 50 20 CBGD CC(=O)N[C@H](C(=O)NN(C)C[C@H](C)O)C(C)(C)C 821217544 KVBBAAFRMNFGHK-WCBMZHEXSA-N 259.350 -0.119 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCO[C@@H](CC(=O)O)C1 828570613 OJHFQQALYXIUKN-IUCAKERBSA-N 287.316 -0.892 50 20 CBGD Cc1nccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1 843645199 LYEVJDUWBZWKMB-IONNQARKSA-N 264.285 -0.029 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(N)=O)cn1 843648888 RZJGTUVLDPFGLX-VXNVDRBHSA-N 292.295 -0.634 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1CCN(C)CC1 843974785 DDDWXJOBRVFSKR-KOLCDFICSA-N 269.345 -0.099 50 20 CBGD CCONC(=O)CNC(=O)/C(C#N)=C\c1cnn(C)c1 846491769 UBRVEPHUBOXISN-WMZJFQQLSA-N 277.284 -0.489 50 20 CBGD C[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)C(C)(C)O 847856361 LVTDQTQDADSACG-ZETCQYMHSA-N 254.290 -0.493 50 20 CBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)c1ccccn1 854122804 WVXSMFYMSYORGQ-SNVBAGLBSA-N 262.269 -0.537 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)OCC(F)(F)F 856026746 KIRREQGHZDJTQH-BYPYZUCNSA-N 271.195 -0.169 50 20 CBGD O=C(NNC(=O)c1ccc(B(O)O)cc1)NC1CCCC1 863872128 NAHPJRYCPUAUBQ-UHFFFAOYSA-N 291.116 -0.747 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc2nccn2c1 869068621 SJBJPVHJPZHELH-WPRPVWTQSA-N 289.295 -0.085 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1C[C@H](OC)C1 875906618 RSSKQMOHLUGBEW-OPRDCNLKSA-N 289.332 -0.454 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1ccn(C)c(=O)c1 879779844 FXNBTCOJZMJOFM-UHFFFAOYSA-N 267.289 -0.900 50 20 CBGD CCOC(=O)[C@H](CO)NS(=O)(=O)CCCCl 882041134 IYMMDFQJHUAWBS-ZETCQYMHSA-N 273.738 -0.541 50 20 CBGD CO[C@@H]1CCOC[C@H]1NC(=O)c1cc(B(O)O)ccc1F 889185792 WTTZQUTXXCWFDF-VXGBXAGGSA-N 297.091 -0.961 50 20 CBGD CC(=O)NNC(=O)c1cc([C@H]2CCCN2C)[nH]n1 895477096 UOEIDXZJLYYUSY-SNVBAGLBSA-N 251.290 -0.043 50 20 CBGD Cn1cc(C(=O)NNC(=O)C2CCC2)n(C)c1=O 900660191 RCVZOCSPAOJGJM-UHFFFAOYSA-N 252.274 -0.715 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1cnn(C2CC2)c1 913734031 FPLCFNRGRCKDCX-UHFFFAOYSA-N 291.311 -0.399 50 20 CBGD CC(=NNC(=O)C(N)=O)c1ccc2c(c1)CCC(=O)N2 915935314 OZTKDIAJTOJRPF-UHFFFAOYSA-N 274.280 -0.103 50 20 CBGD Cc1cc(OCC(=O)NNC(=O)c2cn[nH]c2)no1 916121838 VYCSBSKRTMUKMC-UHFFFAOYSA-N 265.229 -0.454 50 20 CBGD O=C(CNC(=O)C1CC1)NNC(=O)Cc1cccnc1 1115989958 JPUREPSSXDQACX-UHFFFAOYSA-N 276.296 -0.702 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H](CC(C)C)C(=O)O 1261435122 JYTNVUQRTYPSMZ-SSDOTTSWSA-N 289.288 -0.763 50 20 CBGD C[C@@H](C(=O)NNC(=O)NCC1CC1)[C@@H]1CCC(=O)N1 1261792682 HOAWAVRPSMPSOC-APPZFPTMSA-N 268.317 -0.359 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cnc2n1CCCC2 1321825786 PTPVYVLSYREZHW-UHFFFAOYSA-N 293.327 -0.495 50 20 CBGD CCn1ccc(CC(=O)NNc2nnc(C)c(O)n2)n1 1326573759 LHZNKNLGPAULHB-UHFFFAOYSA-N 277.288 -0.212 50 20 CBGD CNC(=O)NNC(=O)c1cncc(-n2ccnn2)c1 1327144929 IYBUKVUQEMRTGE-UHFFFAOYSA-N 261.245 -0.764 50 20 CBGD COC[C@@H](OC)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1334820681 JRCABWNQUKUZJZ-NXEZZACHSA-N 294.373 -0.860 50 20 CBGD Cc1c[nH]cc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1335329342 HLQGIWXEEVPRSV-QMMMGPOBSA-N 250.258 -0.637 50 20 CBGD O=C(C[C@@]1(O)CCCNC1)NNC(=O)c1ccccc1 1340653995 UFHAKLDANFKUSG-AWEZNQCLSA-N 277.324 -0.048 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1cncc(C#N)c1 1347335661 QPZHAPZJOGFBFM-UHFFFAOYSA-N 283.313 -0.192 50 20 CBGD CC1(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)COC1 1549320952 OWTVDHBKMPWGTE-GHMZBOCLSA-N 267.329 -0.012 50 20 CBGD Cc1csc(CCC(=O)NNC(=O)[C@@H]2CCN2)n1 1579836532 ZFRQTOXIBQGKLG-QMMMGPOBSA-N 268.342 -0.107 50 20 CBGD COC(=O)NNC(=O)c1cscc1-c1nn[nH]n1 1591275540 LYYPHBNYSIKKAD-UHFFFAOYSA-N 268.258 -0.071 50 20 CBGD COC[C@@H](NC(=O)NNC(=O)C(=O)O)c1ccccc1 1599172940 FZPCAZUYLLFTEX-SECBINFHSA-N 281.268 -0.211 50 20 CBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNc2ccc(C(=O)O)cn2)O1 1601156914 JCEJVRYNUFQJPK-JGVFFNPUSA-N 294.267 -0.744 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H]1CC[C@@H]1C(=O)O 1604958729 HZCLFIBLNQOLID-RQJHMYQMSA-N 291.398 -0.045 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc(-c2nn[nH]n2)cc1 1609528896 YYAFJQQAVZTUAZ-UHFFFAOYSA-N 277.244 -0.988 50 20 CBGD Cn1cc(C(=O)NN=Cc2c(C(=O)O)cnn2C)cn1 1776044715 UJFOEAOGZZBYQD-UHFFFAOYSA-N 276.256 -0.384 50 20 CBGD Cn1cc(C(=O)NN=Cc2ccc(O)c(C(=O)O)c2)nn1 1776092592 TUSTZMFLQNPAQF-UHFFFAOYSA-N 289.251 -0.017 50 20 CBGD CN(C)CCNC(=S)NNC(=O)c1ccccn1 7557757 DLIUKCCSXNNTCX-UHFFFAOYSA-N 267.358 -0.248 50 20 CBGD Cc1cccc(OCC(=O)NNC(=O)C(=O)NC2CC2)c1 8392632 LBKUVUPVJMBCNO-UHFFFAOYSA-N 291.307 -0.200 50 20 CBGD CN1N=C(C(=O)NNC(=O)c2ccccn2)CCC1=O 21001302 AGXBVHNOJSRZEC-UHFFFAOYSA-N 275.268 -0.549 50 20 CBGD CC(=O)NNC(=O)CNC(=O)NCc1ccc(F)cc1 36832153 BBPGPFIOGKUCII-UHFFFAOYSA-N 282.275 -0.208 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 48698986 WJNDGRVOIFUESV-PHDIDXHHSA-N 253.218 -0.407 50 20 CBGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)c1ccc[nH]1 119504516 HFHBLFUXQKVMDW-UHFFFAOYSA-N 287.341 -0.154 50 20 CBGD N#C[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)CCO1 155580158 HFCADLNDHNFCQW-LBPRGKRZSA-N 288.307 -0.328 50 20 CBGD O=C(NNc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H](O)CN1 163462860 HPYQUAAZNGBINM-VXNVDRBHSA-N 266.257 -0.239 50 20 CBGD O=C(Cc1ccccc1F)NNC(=O)[C@H]1CCC(=O)N1 264490244 BASKIXMBXKJNKQ-SNVBAGLBSA-N 279.271 -0.206 50 20 CBGD CCNC(=O)N(C)NC(=O)CCCC(=O)N(C)C 274484486 IZCLHLSQLKFYAM-UHFFFAOYSA-N 258.322 -0.063 50 20 CBGD C[C@H](C(=O)NNC(=O)C(C)(C)O)n1nnnc1C(C)(C)C 277866672 CLGNZMAGGACJIT-SSDOTTSWSA-N 298.347 -0.550 50 20 CBGD COc1ncnc(OC)c1C(=O)NNC(=O)[C@@H]1CCCO1 294615710 KEXBCZAVGQLCQZ-ZETCQYMHSA-N 296.283 -0.566 50 20 CBGD O=C(COCC(F)(F)F)Nc1cccc(B(O)O)c1 405003380 PCMLJVMQTWSNNM-UHFFFAOYSA-N 277.007 -0.116 50 20 CBGD C[C@H](O)C[C@@H](C)CNC(=O)c1cccc(B(O)O)c1 584950405 LZUAOHIFCDXZII-ZJUUUORDSA-N 265.118 -0.497 50 20 CBGD C[C@H]1COCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584966633 GROPPIIDTIOGPV-SECBINFHSA-N 281.092 -0.386 50 20 CBGD C[C@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)[C@H]1CO 584970216 MSUUAEUDOVEIPG-ZANVPECISA-N 295.119 -0.262 50 20 CBGD C[C@@H](CN(C)C)NC(=O)c1cccc(B(O)O)c1 584990136 PLEGONPKLRABET-VIFPVBQESA-N 250.107 -0.954 50 20 CBGD C[C@@H]1C[C@@H](CO)CN(C(=O)c2cc(B(O)O)ccc2F)C1 584999270 FAESFIOJUMSIJU-NXEZZACHSA-N 295.119 -0.404 50 20 CBGD OB(O)c1ccc(CNCC2(O)CCSCC2)cc1 585016597 RVFSSODPNKYIPS-UHFFFAOYSA-N 281.186 -0.286 50 20 CBGD C[C@H](NCc1ccc(B(O)O)o1)C(=O)N1CCCC1 585040019 YFECYFQVPOLKJV-VIFPVBQESA-N 266.106 -0.940 50 20 CBGD CC(C)[C@H](NCc1ccccc1B(O)O)c1nncn1C 585040266 HPYIDHJKOWMNRH-ZDUSSCGKSA-N 288.160 -0.018 50 20 CBGD CC(C)NC(=O)c1ccc(C(=O)NCB(O)O)cc1 585062093 CUEYZWDTFCGYOU-UHFFFAOYSA-N 264.090 -0.433 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)C2CCCC2)CC1 729967571 MPDWNWQLSQINHX-UHFFFAOYSA-N 253.302 -0.150 50 20 CBGD CN1CCCC[C@H]1C(=O)NNC(=O)C(=O)N1CCCC1 732279037 DSXPWGLYPNQNAQ-JTQLQIEISA-N 282.344 -0.760 50 20 CBGD C[C@H](C#N)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 735505860 WNJZUCYUQKEFHC-SSDOTTSWSA-N 285.267 -0.213 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cccc(C(=O)O)c1 737359766 GZYPEHCCEOIDLF-UHFFFAOYSA-N 265.269 -0.293 50 20 CBGD CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CCOC1 741758349 DPQMFECGMWEJIF-UWVGGRQHSA-N 274.342 -0.050 50 20 CBGD CN(C)CC(=O)NNC(=O)CCCOc1cccnc1 743333125 JZNBZQFFCSXHKD-UHFFFAOYSA-N 280.328 -0.050 50 20 CBGD COCCCNC(=O)NNC(=O)Cc1cnn(C)c1 751370275 BFXGEHFNXMEVQH-UHFFFAOYSA-N 269.305 -0.671 50 20 CBGD CC(=O)c1ccc(CC(=O)NNC(=O)CO)cc1 753441194 ZOFNDMVBCQUIQG-UHFFFAOYSA-N 250.254 -0.429 50 20 CBGD CCc1[nH]nc(C(=O)NNC(=O)N(C)C)c1[N+](=O)[O-] 767778796 DJLZDUBNCDKERP-UHFFFAOYSA-N 270.249 -0.204 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnn(C)c1N 772170983 VEKPDSVGTOEHGV-ZCFIWIBFSA-N 283.288 -0.895 50 20 CBGD C#C[C@@H](NC(=O)NNC(=O)COCC)[C@H]1CCCO1 776227279 IWCLJLZGFFLSIX-NXEZZACHSA-N 269.301 -0.466 50 20 CBGD CCN1CCN(CC(=O)NNc2ccccn2)C(=O)C1=O 777471146 CRNMBRVCSPUWGS-UHFFFAOYSA-N 291.311 -0.785 50 20 CBGD COc1ccc(CC(=O)NNC(=O)CO)cc1OC 777782505 FWRCGQWDRTZKCI-UHFFFAOYSA-N 268.269 -0.614 50 20 CBGD CN(NC(=O)c1c(N)cccc1[N+](=O)[O-])C(N)=O 779541293 FALLURYABTZDQU-UHFFFAOYSA-N 253.218 -0.168 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cnn(C)n2)n1 785700999 ZIDVMEXVJWPBQO-UHFFFAOYSA-N 277.288 -0.910 50 20 CBGD CC(C)(C)C(=O)NC1CCC(C(=O)NNC(=O)CO)CC1 790919860 UIZQJLORYBWPFJ-UHFFFAOYSA-N 299.371 -0.153 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)Nc1ccccc1 801992026 VSHIKPZJBLBBHW-UHFFFAOYSA-N 265.273 -0.232 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)N=c2cc[nH]cc2)CC1 802030298 YMFXNNRXWZYTNX-UHFFFAOYSA-N 277.284 -0.818 50 20 CBGD C[C@H](C(=O)NNC(=O)N=c1cc[nH]cc1)S(C)(=O)=O 802032303 PPXJMNSMCYTHGF-SSDOTTSWSA-N 286.313 -0.911 50 20 CBGD COCCN(C)NC(=O)[C@@H](NC(=O)COC)C(C)C 808073019 CFDVCERVXGDGGT-NSHDSACASA-N 275.349 -0.617 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(F)(F)[C@H](CO)C1 812859593 OQQPYYGTOBLWPD-IUCAKERBSA-N 293.314 -0.118 50 20 CBGD CN1CCC(CC(=O)NNC(=O)N2CCOCC2)CC1 813427381 GKEJBNSCFXSQOB-UHFFFAOYSA-N 284.360 -0.209 50 20 CBGD CNC(=S)N(C)NC(=O)/C=C\c1cn(C)cn1 822547272 JGVGZVABRRSSNJ-PLNGDYQASA-N 253.331 -0.099 50 20 CBGD CCN(CCO)NC(=O)[C@@H](C)OC[C@H]1CCCO1 823852338 DMXRRXQTEXIBRJ-GHMZBOCLSA-N 260.334 -0.084 50 20 CBGD CC(C)CC(=O)NN=Cc1cn(C)c(=O)n(C)c1=O 839398803 CKXDWUOIPGUYTA-UHFFFAOYSA-N 266.301 -0.420 50 20 CBGD COc1ccc(OCC(=O)NNC(=O)NC[C@H](C)N)cc1 841983982 GWZAKEFNBSYXHD-VIFPVBQESA-N 296.327 -0.248 50 20 CBGD O=C(Cn1cc([N+](=O)[O-])cc(F)c1=O)NNC(=O)C1CC1 842638005 VCCRDJIMILRUQD-UHFFFAOYSA-N 298.230 -0.547 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnnc1 843980066 QXWBEYRZNNOWBS-CBAPKCEASA-N 250.258 -0.337 50 20 CBGD CCONC(=O)CNC(=O)NNc1nccc(OC)n1 845550679 JKYSRACNLQMQAC-UHFFFAOYSA-N 284.276 -0.821 50 20 CBGD CC(C)(CO)C(=O)NNC(=O)CNC(=O)c1cccs1 847421017 JCKZOWISLZLMNJ-UHFFFAOYSA-N 299.352 -0.356 50 20 CBGD O=S(=O)(CCl)N[C@@H](CO)[C@@H]1CCCOC1 849399587 NRPHQVQZOKHXKE-SFYZADRCSA-N 257.739 -0.110 50 20 CBGD CNC[C@H](C)NC(=O)NNC(=O)CC(F)(F)F 851679402 BASXYRRXJIQKIJ-YFKPBYRVSA-N 256.228 -0.123 50 20 CBGD CCC(F)(F)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 854295254 YLDUPSWZCLHHIM-ZCFIWIBFSA-N 284.284 -0.386 50 20 CBGD CN1CCN(C(=O)NNC(=O)/C=C/[C@@H]2CCOC2)CC1 854381053 DSBBXDWKTWILTN-KXMPLOMGSA-N 282.344 -0.433 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@H]1CN(C)CCO1)C1CC1 855101703 XVQCLMNPKCMDBN-WCBMZHEXSA-N 286.401 -0.389 50 20 CBGD Cc1noc(C)c1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 860555154 HHUWKDADFZDVQF-ZETCQYMHSA-N 281.272 -0.277 50 20 CBGD Cc1cnc(C=NNC(=O)CS(C)(=O)=O)s1 863185979 JTXFUZCZKPGIBM-UHFFFAOYSA-N 261.328 -0.054 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1C[C@]12CCOC2 869908107 XAIITPFCKIVLGT-CABZTGNLSA-N 272.301 -0.777 50 20 CBGD CCN1C[C@@H](NC(=O)NN(C)C(=O)OC)CC1=O 875643673 XYQWLCVHBHSCCJ-ZETCQYMHSA-N 258.278 -0.480 50 20 CBGD C#CC[C@@H](CCOC)NC(=O)NNC(=O)COCC 875919293 GDEXUJIVWZJFQC-JTQLQIEISA-N 271.317 -0.218 50 20 CBGD CCN1CCC[C@H]1CNC(=O)NNC(=O)c1cccnn1 883423439 LEBJWTIXFQLLRR-JTQLQIEISA-N 292.343 -0.095 50 20 CBGD CCOC(C)(C)C(=O)NNC(=O)CN1CCCC1=O 913730016 HRCOOVAIJOZUID-UHFFFAOYSA-N 271.317 -0.429 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)OC2 920832325 LRBJURIAXFYZKW-UHFFFAOYSA-N 299.308 -0.131 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H](C)n1cccn1 920862006 IAXZIPSDOVUIPO-SECBINFHSA-N 269.305 -0.189 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc2c(c1)OCC(=O)N2 1251346627 GZQSJDJMGNYDCF-UHFFFAOYSA-N 278.268 -0.067 50 20 CBGD COC[C@@H](NC(=O)NNC(=O)C(=O)OC)c1ccco1 1318876550 IJAWZLKXNOJKIS-SSDOTTSWSA-N 285.256 -0.530 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)N[C@@H]1C=C[C@H](CO)C1 1319020120 HDHCZVQLHJICHR-NWDGAFQWSA-N 290.323 -0.109 50 20 CBGD Cn1cncc1C=NNC(=O)Cc1cc(O)nc(S)n1 1320193829 NQNUHJZQVNQHKR-UHFFFAOYSA-N 292.324 -0.103 50 20 CBGD COc1nccnc1NNC(=O)C[C@H]1COC(=O)C1 1320363601 ITQUQBJYTOJISW-SSDOTTSWSA-N 266.257 -0.119 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=O)c1n[nH]c2c1CCCC2 1321605014 GQFAPIWFCXEXNT-UHFFFAOYSA-N 293.327 -0.472 50 20 CBGD COC(=O)N(C)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1322628785 YJJZQMRLGUICQW-ZHACJKMWSA-N 296.283 -0.368 50 20 CBGD COCC1(C(=O)NNC(=O)N(C)C)CCOCC1 1324088617 PBGIRGOFZSEJSI-UHFFFAOYSA-N 259.306 -0.268 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1C[C@@]12CCOC2 1325516442 QHUFPMBEKZIPOT-JOYOIKCWSA-N 264.285 -0.474 50 20 CBGD Cc1nnc(CC(=O)NNC(=O)NCC2CC2)o1 1327656354 AKKKTZMMWOFDKG-UHFFFAOYSA-N 253.262 -0.339 50 20 CBGD CS/C=C\C(=O)NNC(=O)CS(C)(=O)=O 1329209515 ZJCCEGXTMZYHGC-ARJAWSKDSA-N 252.317 -0.945 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CCc2nncn2C1 1330878708 GJOKIJGMUMZENN-DTWKUNHWSA-N 253.306 -0.816 50 20 CBGD CC(C)NC(=O)NNC(=O)c1ccc(=O)n(C)c1 1332292784 UQKWXOKXNFFNOC-UHFFFAOYSA-N 252.274 -0.262 50 20 CBGD Cc1ncc2n1CC[C@H](C(=O)NN(C)C(N)=O)C2 1343534081 JOWIVOPKDVIBSW-QMMMGPOBSA-N 251.290 -0.204 50 20 CBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)C1CCCC1 1347328238 WPAVLYLDPWEMAJ-JQWIXIFHSA-N 280.372 -0.288 50 20 CBGD CC(C)(C#N)CC(=O)NNC(=O)CS(C)(=O)=O 1348437448 WZYKWDCFUKIWAR-UHFFFAOYSA-N 261.303 -0.882 50 20 CBGD CNCCCCC(=O)NNC(=O)C(=O)NC(C)C 1578683622 HQFLOMUAGMJDNV-UHFFFAOYSA-N 258.322 -0.952 50 20 CBGD CC(=O)Nc1cncc(C(=O)NNC(=O)[C@H](C)C(=O)O)c1 1588526112 LANHLOKKTSHIQP-LURJTMIESA-N 294.267 -0.478 50 20 CBGD CC(C)(C)C(=O)NNC(=O)c1cn(CC(=O)O)nn1 1588630846 KBEQKBBFODQZAR-UHFFFAOYSA-N 269.261 -0.830 50 20 CBGD Cc1ccc(C(=O)NNC(=O)COCC(=O)O)c(O)c1 1594346889 KKUSHTRROLLBNS-UHFFFAOYSA-N 282.252 -0.437 50 20 CBGD CCCC[C@H](NNC(=O)c1cn(C)nn1)C(=O)O 1595641462 XJSADNVTIYAOKQ-ZETCQYMHSA-N 255.278 -0.307 50 20 CBGD Cc1cc(NC(=O)NNC(=O)CO)ncc1C(=O)O 1600270697 LXSLNLIINXZKRT-UHFFFAOYSA-N 268.229 -0.767 50 20 CBGD O=C(O)c1ccc(C(=O)NNC(=O)C2CCOCC2)[nH]1 1608875127 PGNYHPACGQUGME-UHFFFAOYSA-N 281.268 -0.100 50 20 CBGD O=C(CN1CCCCCC1=O)NNC(=O)C1CC1 58114057 WTMTYEDEQVMLBF-UHFFFAOYSA-N 253.302 -0.054 50 20 CBGD CCOCC(=O)NNC(=O)NC[C@@H](C)N(C)C1CC1 66703789 FOHOSRIGMWMVHG-SECBINFHSA-N 272.349 -0.164 50 20 CBGD COCCNS(=O)(=O)c1ccc(C(=O)NN)cc1 270202231 GJWIFCFYAQFLDI-UHFFFAOYSA-N 273.314 -0.785 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCc2cncnc2)[nH]n1 292604341 WIFNCHRDEODUDJ-UHFFFAOYSA-N 274.284 -0.098 50 20 CBGD CC(=O)NNC(=O)c1n[nH]cc1I 307699006 NSZFHMCSRNQQBM-UHFFFAOYSA-N 294.052 -0.205 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@@]23CCOC3)n[nH]1 372053283 MILFRDAMYTUPFQ-QPUJVOFHSA-N 264.285 -0.094 50 20 CBGD CN1C(=O)CC[C@H]1CC(=O)Nc1cccc(B(O)O)c1 584912836 WEEYETLORAAZLY-NSHDSACASA-N 276.101 -0.684 50 20 CBGD C[C@@H](O)CCNC(=O)c1ccc(B(O)O)c(F)c1 584947856 CYYWITMITATRRJ-SSDOTTSWSA-N 255.054 -0.994 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](O)C12CCCC2 584992540 MHVMLWAVNXICNH-CYBMUJFWSA-N 289.140 -0.114 50 20 CBGD CCN1CCC[C@@H](NCc2ccc(B(O)O)o2)C1 585018066 GNLKSUMJQTYNOK-SNVBAGLBSA-N 252.123 -0.467 50 20 CBGD OB(O)c1ccc(CNCCOC[C@@H]2CCOC2)o1 585020472 YJFFWJIVAYJFHQ-SNVBAGLBSA-N 269.106 -0.898 50 20 CBGD CC(=O)N1CC[C@@H](NCc2ccc(B(O)O)cc2)C1 585030829 JTCGIYDCGYXYHF-CYBMUJFWSA-N 262.118 -0.923 50 20 CBGD C[C@H](c1nc(-c2cccc(B(O)O)c2)no1)S(C)(=O)=O 585053739 PNHSPEYWWXIZNX-SSDOTTSWSA-N 296.113 -0.478 50 20 CBGD C[C@@H](C(=O)NCB(O)O)n1nnc(-c2ccccc2)n1 585060419 QYGIFZCZTIIEIY-QMMMGPOBSA-N 275.077 -0.971 50 20 CBGD NC(=O)Nc1cccc(C(=O)NNC(=O)c2cnn[nH]2)c1 729456593 UUSPPWMZDYBZGZ-UHFFFAOYSA-N 289.255 -0.630 50 20 CBGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H]2CCOC2)C[C@@H](C)O1 732264196 QYZCOZVKAMFNSG-IJLUTSLNSA-N 299.371 -0.330 50 20 CBGD CC(C)[C@@H](C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 733092451 GQIMJZCUPITAGY-RKDXNWHRSA-N 276.358 -0.139 50 20 CBGD Cn1cc([C@@H](O)CNC(=O)NNC(=O)C(C)(C)C)cn1 743597793 FSRVVBAFNIRHOV-VIFPVBQESA-N 283.332 -0.170 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 746006106 NWVVMJMDOKFHST-PHDIDXHHSA-N 296.249 -0.254 50 20 CBGD C[C@H](NC(=O)NNC(=O)C(=O)N1CCCC1)C1CC1 748446924 MUYQRFDCJURCHQ-QMMMGPOBSA-N 268.317 -0.262 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=S)N[C@H](C)C1CC1 751620662 KRLKAZGJVXRHBF-RNFRBKRXSA-N 272.374 -0.195 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NNC(=O)c1ccnnc1 761210731 NZKUSQJDZWYAJF-JTQLQIEISA-N 293.327 -0.794 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc(N2CCOCC2)cn1 772436575 MWBICLVCUFBEGA-UHFFFAOYSA-N 295.299 -0.937 50 20 CBGD CO[C@H]1CCC[C@H]1CNC(=O)NNC(=O)C(=O)NC1CC1 775457970 JXQRGTUKZCYXDG-WPRPVWTQSA-N 298.343 -0.590 50 20 CBGD CN(NC(=O)CCN1C(=O)c2ccccc2C1=O)C(N)=O 778414470 DJHPTEHAIPSFBQ-UHFFFAOYSA-N 290.279 -0.286 50 20 CBGD CNC(=O)NNC(=O)C(F)(F)C1(O)CCCC1 785952182 YOSLQFODOZVDTP-UHFFFAOYSA-N 251.233 -0.113 50 20 CBGD CCN(C)C(=O)[C@H](C)NC(=O)NNC(=O)C(C)C 788893184 WAQPDUGLOISBEG-QMMMGPOBSA-N 258.322 -0.160 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@H](O)C(C)(C)C1 790449832 JRVAXRCBJUDENZ-BDAKNGLRSA-N 257.334 -0.365 50 20 CBGD CC1=C(C(=O)NN(C)[C@@H](C)CO)[C@H](C)n2nnnc2N1C 823917526 JOTBTDZURHFBKB-CBAPKCEASA-N 295.347 -0.698 50 20 CBGD Cc1cccc(C(=O)NNC(=O)C[C@@H]2CC(=O)N2)n1 834814951 FXSODDPBPDELGS-QMMMGPOBSA-N 262.269 -0.570 50 20 CBGD CCCN1C[C@H](C(=O)NNC(=O)[C@H]2CCCCO2)CC1=O 839780787 FIRMJTGPACRHDT-GHMZBOCLSA-N 297.355 -0.039 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1[C@H]2CCNC[C@H]1CC2 843365150 FGFITVLJEKUGIG-HBNTYKKESA-N 268.361 -0.241 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)[C@H](CN)C1CC1 843386826 MCTLGOPKWVHPBB-SNVBAGLBSA-N 254.334 -0.787 50 20 CBGD O=C(CN1CC[C@@H]2NCC[C@H]2C1)NNC(=O)C1CC1 843388283 YLRHSZIBKKBLCL-QWRGUYRKSA-N 266.345 -0.772 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnn1C 843648022 OXDDWSFAOZOUMN-YUMQZZPRSA-N 252.274 -0.394 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843655715 WFBGAQJFUXCUGP-IWSPIJDZSA-N 292.357 -0.761 50 20 CBGD CC(C)Cn1nccc1C(=O)NNC(=O)CN(C)C 844131954 BIADEZXUVGHLLV-UHFFFAOYSA-N 267.333 -0.138 50 20 CBGD O=C(CN1CCCNC1=O)NNC(=S)NCC1CCC1 855092256 XCXOLRDVPAAHFG-UHFFFAOYSA-N 299.400 -0.303 50 20 CBGD O=C(CN1CCCNC1=O)NNc1ccncn1 857520220 RAJOEDHIIFVVHD-UHFFFAOYSA-N 250.262 -0.665 50 20 CBGD CO[C@@H](C)[C@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858380610 FTCJPTUFMDCYRA-FXQIFTODSA-N 272.305 -0.981 50 20 CBGD CO[C@@H](CC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(F)(F)F 862463544 HFOQIZCQWLDITL-RITPCOANSA-N 297.233 -0.620 50 20 CBGD CC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c1cn[nH]c1 862470545 HOVHQASXOVIIGK-JTQLQIEISA-N 281.316 -0.279 50 20 CBGD O=C(CN1CCCCCCC1=O)NNC(=O)c1cn[nH]c1 862474277 IJYHZYVWVARGBI-UHFFFAOYSA-N 293.327 -0.037 50 20 CBGD C=CCNC(=S)NNC(=O)CCc1cnn[nH]1 864455406 OQWYAVGLARXOLG-UHFFFAOYSA-N 254.319 -0.581 50 20 CBGD C[C@H]1COCC1=NNC(=O)[C@@H](C)NS(C)(=O)=O 884427201 MCNNGLXQQDGBSA-NKWVEPMBSA-N 263.319 -0.937 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NC/C=C\Cl)N1 899033447 DWBDNQSTWXCNPQ-WFEAHWDDSA-N 260.681 -0.652 50 20 CBGD CN1CCN(C)CC(C(=O)NNc2cccnn2)C1 907329028 KAYQKVPUDYKULF-UHFFFAOYSA-N 264.333 -0.587 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@@H]1CSCC(=O)N1 929430105 VMOFUXOBEWEIQN-LURJTMIESA-N 290.414 -0.488 50 20 CBGD O=C(CCO)NNC(=O)Nc1cnn(C[C@H]2CCCO2)c1 1254883241 YIQIMGUWRYXAGJ-SNVBAGLBSA-N 297.315 -0.403 50 20 CBGD O=C(CCn1cccn1)NNC(=O)Cc1cc[nH]n1 1318333048 JAKOQKWOKCNLBP-UHFFFAOYSA-N 262.273 -0.614 50 20 CBGD Cc1nnc(O)c(C(=O)NNC(=O)CN(C)C)c1C 1318496981 ZKFYXOBEJSBHBR-UHFFFAOYSA-N 267.289 -0.878 50 20 CBGD COC(=O)c1ccc(C(=O)NN(C)C(N)=O)nc1 1319890028 SVNSQVIGLJSBOX-UHFFFAOYSA-N 252.230 -0.477 50 20 CBGD C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNc1ncccn1 1319918283 OUBDZILBOQCIEQ-IONNQARKSA-N 279.300 -0.805 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1cccc(C#N)c1 1323791719 BBKIRBVPOQPLCG-UHFFFAOYSA-N 262.225 -0.116 50 20 CBGD CCn1cc(-c2nn(C)cc2C(=O)NNC(=O)CO)cn1 1324245087 MAGMYRMHVRATPU-UHFFFAOYSA-N 292.299 -0.943 50 20 CBGD CCc1cnc(NC(=O)C(=O)NNC(C)=O)s1 1324576090 VQBRWFVKRHNDIW-UHFFFAOYSA-N 256.287 -0.189 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H]1Cc2ccccc2O1 1325483506 CGWNGYSGQRPDEH-SECBINFHSA-N 293.279 -0.507 50 20 CBGD C[C@@]1(CCCC(=O)NNC(=O)CC2CC2)NC(=O)NC1=O 1326393627 LLQNDPUNRLHQQQ-ZDUSSCGKSA-N 296.327 -0.298 50 20 CBGD CCn1ncc(C)c1NC(=O)C(=O)NNC(=O)C1CC1 1327210672 SKRXUJZRRQHYIP-UHFFFAOYSA-N 279.300 -0.293 50 20 CBGD Cc1cccc(NNC(=O)CN2C(=O)CNC2=O)n1 1329536941 FMTZGNCTGDRBAT-UHFFFAOYSA-N 263.257 -0.615 50 20 CBGD O=C(CCc1nc2cccnc2[nH]1)N1CC[C@H](B(O)O)C1 1329672201 OVXUSSXYLBGGRJ-VIFPVBQESA-N 288.116 -0.034 50 20 CBGD Cn1cnnc1COCC(=O)NN=c1cc[nH]cc1 1330408124 GACFYDAUXXKFBA-UHFFFAOYSA-N 262.273 -0.708 50 20 CBGD CN(C)C(=O)NNC(=O)CC1(CS(C)(=O)=O)CC1 1330515280 LJOSVJLLJAPYLX-UHFFFAOYSA-N 277.346 -0.496 50 20 CBGD O=C(NNc1ccnc(F)c1)c1cnn(C[C@@H](O)CO)c1 1330783464 VTSLURQQVHBCSQ-SNVBAGLBSA-N 295.274 -0.473 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cn(C2CC2)nn1 1335406417 HKDACNYYYIEFTE-UHFFFAOYSA-N 275.272 -0.660 50 20 CBGD Cc1cc(CNC(=O)NNC(=O)C(=O)N2CCCC2)on1 1338090562 YQHHFPXJTAJCCT-UHFFFAOYSA-N 295.299 -0.564 50 20 CBGD C[C@@](O)(C(=O)NNC(=O)[C@@H]1CCCCO1)C1CC1 1344405172 UXDZQJZUMFRTIH-CABZTGNLSA-N 256.302 -0.136 50 20 CBGD Cc1nnc(O)c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1C 1346067156 CPDKLRTUJQMRRF-BDAKNGLRSA-N 294.311 -0.015 50 20 CBGD CCOc1ccc(OCC(=O)NNC(=O)NCCN)cc1 1578184248 BBLGUXMTEPJGLB-UHFFFAOYSA-N 296.327 -0.247 50 20 CBGD COc1nsc(OC)c1C(=O)NNC(=O)[C@@H]1CCN1 1579329828 PAUVAOXOSKBSOU-YFKPBYRVSA-N 286.313 -0.717 50 20 CBGD N[C@@H]1CCO[C@@H]1C(=O)NNc1nccnc1Cl 1580383795 DQERSHXHCDOKFK-RITPCOANSA-N 257.681 -0.311 50 20 CBGD C[C@](CCF)(NCC(=O)NNC(=O)C1CC1)C(=O)O 1592498161 WGPOZNCCSNFVJV-LLVKDONJSA-N 275.280 -0.664 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccccc1C(=O)O 1598884175 MKUHFAPNSDYENU-UHFFFAOYSA-N 281.224 -0.290 50 20 CBGD COC(=O)c1ccc(O)c(C=NNC(=O)NCC(=O)O)c1 1598984141 IGPSGFZXGRRHPT-UHFFFAOYSA-N 295.251 -0.104 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(C(=O)O)ccn1 1604833769 FXSLGMDAQVWWHF-APPZFPTMSA-N 293.279 -0.034 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1ccc(C(=O)O)cn1 1606017833 NMZDYGUYHUKQIE-UHFFFAOYSA-N 281.272 -0.506 50 20 CBGD O=C(O)[C@@H]1CCC[C@H](C(=O)N2CC[C@H](B(O)O)C2)C1 1608620467 MCLGTSGAXRKQDO-AEJSXWLSSA-N 269.106 -0.047 50 20 CBGD CN(C)C(=O)[C@H](NNC(=O)C(=O)O)c1ccccc1 1610093905 SCWXLNNPGQNWOO-SECBINFHSA-N 265.269 -0.479 50 20 CBGD COc1cc(C(=O)O)ccc1S(=O)(=O)NNC(C)=O 1610289702 WDMDOWSJLAGUJH-UHFFFAOYSA-N 288.281 -0.277 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=O)CNc1ccccc1 104829002 RIFGMPORAHOOFN-SECBINFHSA-N 278.312 -0.230 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)COCC1CC1 109858582 KPVIYZRNQPBJEN-UHFFFAOYSA-N 252.274 -0.094 50 20 CBGD Cc1cc(C(=O)NNC(=O)CCc2cnn(C)c2)[nH]n1 153234234 SHBVESJBVRGCAD-UHFFFAOYSA-N 276.300 -0.155 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1ccnc(F)c1 272744802 MSPYFCOKYRDPMA-LURJTMIESA-N 276.293 -0.399 50 20 CBGD COc1ncc(NC(=O)NNC(=O)C2CC2)cc1C(N)=O 274143701 RHZKANFPKMCPSR-UHFFFAOYSA-N 293.283 -0.248 50 20 CBGD COCC(=O)N(C)CC(=O)NNC(=O)c1cccc(C)n1 279832176 QVCUPKIOWNXTBS-UHFFFAOYSA-N 294.311 -0.744 50 20 CBGD COCCN(C)NC(=O)Cn1nc2ccccn2c1=O 288432684 NJNFENJLHBQVFL-UHFFFAOYSA-N 279.300 -0.895 50 20 CBGD CC(C)[C@H](O)C(=O)NNC(=O)Cc1cccnc1 291606283 XSVVKAWJWQCDCN-NSHDSACASA-N 251.286 -0.212 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNc1nccnc1OC 372520493 FWQRFVXNYIVGEG-SECBINFHSA-N 281.316 -0.351 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@@H]1CCC(=O)N(C)C1=O 491177646 YDDWTFOSENLOQQ-FCZSHJHJSA-N 265.269 -0.306 50 20 CBGD CCCCNC(=O)NC(=O)COc1ccc(B(O)O)cc1 584909943 SUHIJZSJMVJXGV-UHFFFAOYSA-N 294.116 -0.629 50 20 CBGD C[C@@H](C[S@](C)=O)C(=O)Nc1cccc(B(O)O)c1 584914423 XRIBLWPTKQKULE-ASCAZGACSA-N 269.131 -0.681 50 20 CBGD C[C@@H]1C[C@H]1CNC(=O)c1ccc(B(O)O)c(F)c1 584930475 YHYVVNONETUWPF-APPZFPTMSA-N 251.066 -0.109 50 20 CBGD O=C(NCCC[C@@H]1CCOC1)c1cccc(B(O)O)c1 584996203 AFTPADXPHYNQJH-LLVKDONJSA-N 277.129 -0.087 50 20 CBGD C[C@@H]1O[C@H](C)C[C@H]1CNC(=O)c1cccc(B(O)O)c1 585002474 WKRUSYHSJPDNNK-SCVCMEIPSA-N 277.129 -0.090 50 20 CBGD CCNC(=O)N1CC[C@@H](NCc2ccccc2B(O)O)C1 585031418 UOXXLLIWKLBKIQ-GFCCVEGCSA-N 291.160 -0.740 50 20 CBGD O=S(=O)(c1ccc(F)nc1)N1CC[C@@H](B(O)O)C1 585057592 WHLNBLNGDFLZAV-SSDOTTSWSA-N 274.082 -0.542 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(CCO)CCCO 732204967 HMYGYFVGIPTIKR-NSHDSACASA-N 289.376 -0.755 50 20 CBGD CCCNC(=O)NNC(=O)[C@H](NS(C)(=O)=O)C(C)C 733255599 GDINJHJQBXGERM-MRVPVSSYSA-N 294.377 -0.699 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H](NC(=O)COC)C(C)C 741212558 QUHWYTHPFQTBTF-JTQLQIEISA-N 288.348 -0.486 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)C)CC(C)(C)O 744402613 VKTBOWVJCHRZDK-UHFFFAOYSA-N 259.350 -0.117 50 20 CBGD CCCNC(=O)NNC(=O)c1cc([N+](=O)[O-])cnc1N 759619397 GWPQDSLWDSUNSW-UHFFFAOYSA-N 282.260 -0.074 50 20 CBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cocn1 764344446 CPDXEGLJKSNHRD-UHFFFAOYSA-N 289.251 -0.739 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)c1cccn1C 780854185 BOBRNCIWAIEJOG-UHFFFAOYSA-N 252.274 -0.688 50 20 CBGD CNC(=O)[C@H](CO)NS(=O)(=O)CCCCCl 784706355 BFSDKZQLYGTBJF-ZETCQYMHSA-N 272.754 -0.968 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CS(=O)(=O)C1CCCC1 787946494 DVKPWHJOKJBITG-UHFFFAOYSA-N 292.357 -0.738 50 20 CBGD CN(C)C(=O)NNC(=O)c1cc([N+](=O)[O-])cn1C 804026236 ZSMQWOFQHLHBHG-UHFFFAOYSA-N 255.234 -0.151 50 20 CBGD Cn1cnc(C(=O)NNC(=O)Cn2cnc3ccccc32)n1 809983330 GLOPWRLJDZOMQL-UHFFFAOYSA-N 299.294 -0.374 50 20 CBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cc[nH]n1 814835498 SDAUOWOCPXZMLB-SSDOTTSWSA-N 273.318 -0.812 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1COCCN1C1CCCC1 823935334 PQJPMDCHVGLCAB-YPMHNXCESA-N 285.388 -0.026 50 20 CBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)c1ccccn1 827303671 HVSKMGVNEOPFDL-ZETCQYMHSA-N 251.242 -0.047 50 20 CBGD C[C@]1(C(=O)NNC(=O)C(=O)N2CCCC2)CCCCO1 837377540 GFMROMPAZAHHIQ-CYBMUJFWSA-N 283.328 -0.285 50 20 CBGD CCn1ccc(NC(=O)NNC(=O)CCCN)n1 850757019 VJQPHLWSLWONGC-UHFFFAOYSA-N 254.294 -0.205 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)OCC(F)(F)F)C1 856021881 UZVCKTWUTQKORM-LURJTMIESA-N 285.222 -0.363 50 20 CBGD CO[C@H](CNC(=O)NNC(=O)c1cn[nH]c1)C1CC1 858492229 LFHCXFJALDPIDH-SECBINFHSA-N 267.289 -0.221 50 20 CBGD COC(=O)COCCNC(=O)NNc1cccnn1 858833769 QHYDBSICJSFAKF-UHFFFAOYSA-N 269.261 -0.708 50 20 CBGD CC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 862450206 PAZLBQQGQFWLIS-SSDOTTSWSA-N 295.320 -0.010 50 20 CBGD O=C(CCCC(=O)C1CC1)NNC(=O)[C@@H]1CCC(=O)N1 862460901 LEGSIRIBZRTGEL-VIFPVBQESA-N 281.312 -0.438 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccsc1 863458895 HQKOZNDEDDREEG-UHFFFAOYSA-N 262.312 -0.446 50 20 CBGD COCCOCC(=O)NNC(=O)c1ccc(C=O)n1C 869905548 OPYLPBAIIGPXHX-UHFFFAOYSA-N 283.284 -0.738 50 20 CBGD O=C(CO)NNC(=O)c1csc(N2CCCCC2)n1 897312353 DHAAQAVZPTVKPS-UHFFFAOYSA-N 284.341 -0.113 50 20 CBGD CCCN1CCC[C@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 912978694 VQHAASWMLIJUKD-WDEREUQCSA-N 296.371 -0.466 50 20 CBGD O=C1CC[C@H](C(=O)NNS(=O)(=O)c2ccccc2)N1 913188017 UVPWNQFOYOWYDO-SECBINFHSA-N 283.309 -0.725 50 20 CBGD O=C(Cc1ccoc1)NNC(=O)CN1CCCC1=O 913731969 CJIUGKPQPOYOHI-UHFFFAOYSA-N 265.269 -0.408 50 20 CBGD Cc1n[nH]cc1C=NNC(=O)N[C@H]1CCS(=O)(=O)C1 920383176 CCGWIVSLAOTHSN-VIFPVBQESA-N 285.329 -0.462 50 20 CBGD C[C@H]1COC[C@H]1NC(=O)NNC(=O)Cc1cccnc1 926003458 HPTSLAMKRVXOMR-GXSJLCMTSA-N 278.312 -0.011 50 20 CBGD COC(=O)COc1ccc(C=NNC(=O)C(N)=O)cc1 1116533407 UTWIKNMWSWQPLZ-UHFFFAOYSA-N 279.252 -0.826 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ncccn1 1261498208 YCNHIAINECETDV-ZJUUUORDSA-N 278.312 -0.018 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCCC2(O)CCC2)N1 1261791413 PXHJLANGOZMANU-VIFPVBQESA-N 298.343 -0.709 50 20 CBGD CCc1ncc(C=NNC(=O)[C@@H]2CCC(=O)N2)cn1 1261832780 AUBBFCDFKCYUJN-VIFPVBQESA-N 261.285 -0.232 50 20 CBGD CC[C@@H](C)N(C)CCNC(=O)NNC(=O)C(=O)OC 1318876023 CYVYURDLIPCPCD-MRVPVSSYSA-N 274.321 -0.780 50 20 CBGD NC(=O)N1CCC[C@H](C(=O)NNc2cccnn2)C1 1320073219 YTAFGFJXHNGUBG-QMMMGPOBSA-N 264.289 -0.290 50 20 CBGD Cn1nccc1NC(=O)C(=O)NNC(=O)OC(C)(C)C 1320257123 ACAGSSNVFKVMHF-UHFFFAOYSA-N 283.288 -0.086 50 20 CBGD Cc1nn(CCO)c(C)c1C=NNC(=O)c1cnn(C)c1 1321897157 JSCCSUATPPITJD-UHFFFAOYSA-N 290.327 -0.010 50 20 CBGD Cc1nc(N(C)C)sc1C(=O)NNC(=O)CN(C)C 1323543298 IFTYSQPHBSXPFX-UHFFFAOYSA-N 285.373 -0.160 50 20 CBGD COC(=O)NNC(=O)c1ccc(C(N)=O)c(Cl)n1 1328874329 MHCNJHSWFAEGMO-UHFFFAOYSA-N 272.648 -0.165 50 20 CBGD CN1CCO[C@H](C(=O)NNc2nncc(N)c2Cl)C1 1333506380 AGSUWYKZAHHFBV-ZETCQYMHSA-N 286.723 -0.514 50 20 CBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)c1c[nH]nc1C 1336971028 KZHYDHPXEDOVBQ-SNVBAGLBSA-N 281.316 -0.800 50 20 CBGD CN(C)C(=O)NNC(=O)[C@H]1CCCCS1(=O)=O 1338268570 WZGSEXGQFGGBKH-SSDOTTSWSA-N 263.319 -0.744 50 20 CBGD COC1(C=NNC(=O)c2ncon2)CCOCC1 1356022227 FPJWCBYSPYSIST-UHFFFAOYSA-N 254.246 -0.019 50 20 CBGD O=C(NNC(=O)c1ncon1)NC1CCC(C(=O)O)CC1 1594780538 VUTIHPWSGBVFBO-UHFFFAOYSA-N 297.271 -0.343 50 20 CBGD CC(C[C@H]1CCC(=O)N1)=NNC(=O)NCC(=O)O 1604133093 UOQISXKBSRPHPN-SSDOTTSWSA-N 256.262 -0.585 50 20 CBGD O=C(O)CCCCNC(=O)c1cccc(B(O)O)c1 1606165839 UBJJMAKOVSZRLO-UHFFFAOYSA-N 265.074 -0.649 50 20 CBGD O=C(NCC1SCCS1)NNC(=O)C(=O)O 1608438240 DSSKCYCVLSNGTQ-UHFFFAOYSA-N 265.316 -0.793 50 20 CBGD CC(C)(CS(=O)(=O)NNC(=O)c1ccoc1)C(=O)O 1609677808 FUQKNZMGIXFJRW-UHFFFAOYSA-N 290.297 -0.045 50 20 CBGD COC(=O)[C@@H](C)n1cccc1C=NNC(=O)C(=O)O 1610151734 DJALTKMWBMBGSE-SSDOTTSWSA-N 267.241 -0.243 50 20 CBGD Cc1cc(OCC(=O)NNC(=O)c2cnn(C)c2)no1 14799898 NBQDJHQMXIGCSZ-UHFFFAOYSA-N 279.256 -0.443 50 20 CBGD Cc1cc(F)cc(NC(=O)C(=O)NNC(=O)CN(C)C)c1 126486588 UGPOEOZFNCFBRY-UHFFFAOYSA-N 296.302 -0.218 50 20 CBGD CNC(=O)C(C)(C)CNC(=O)NNC(=O)C1CCC1 269463526 XYKANDZWGUUZLA-UHFFFAOYSA-N 270.333 -0.111 50 20 CBGD CN(NC(=O)CCCNC(=O)c1cccnc1)C(N)=O 272127639 AXKYIJIJZGRCFL-UHFFFAOYSA-N 279.300 -0.367 50 20 CBGD CC(C)(O)C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 277255256 ZSWBWXANZRHFHS-UHFFFAOYSA-N 297.267 -0.108 50 20 CBGD COC(=O)NNS(=O)(=O)c1cc(OC)ccc1O 494400573 VEWIJOBDRDISDE-UHFFFAOYSA-N 276.270 -0.050 50 20 CBGD CO[C@H](C(=O)Nc1cccc(B(O)O)c1)C(C)C 584914159 QQBASHFRDNSUQD-NSHDSACASA-N 251.091 -0.024 50 20 CBGD C[C@@H]1CCN(C)CCN1C(=O)c1cc(B(O)O)ccc1F 584945660 JOJTWHQOKPDXQG-SNVBAGLBSA-N 294.135 -0.328 50 20 CBGD COCC1=CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584973323 CLPAPWNULLGKNY-UHFFFAOYSA-N 293.103 -0.076 50 20 CBGD CC[C@H](NC(=O)c1cccc(B(O)O)c1)[C@H](O)CC 584996658 NRGIYFNVRAKGOD-NWDGAFQWSA-N 265.118 -0.354 50 20 CBGD O=C(NCCC1CSC1)c1cc(B(O)O)ccc1F 584999937 FYBHOBSFIAJILW-UHFFFAOYSA-N 283.133 -0.012 50 20 CBGD CCN(CC)[C@H](C)CNCc1ccc(B(O)O)o1 585018234 SVXUBSVSJDPXJE-SNVBAGLBSA-N 254.139 -0.221 50 20 CBGD C[C@@H](CNCc1cccc(B(O)O)c1)N(C)C1CC1 585023689 KZHLBBRJSPGJRR-NSHDSACASA-N 262.162 -0.061 50 20 CBGD CCC(=O)N1CC[C@@H](NCc2ccc(B(O)O)cc2F)C1 585031633 WOOVVLFOLXGSLC-GFCCVEGCSA-N 294.135 -0.394 50 20 CBGD OC[C@H](CC(F)(F)F)NCc1ccccc1B(O)O 585032315 SWBGLJBWSNJXTA-VIFPVBQESA-N 277.051 -0.231 50 20 CBGD CN(C)c1noc(CNCc2ccc(B(O)O)cc2)n1 585037354 ZUKULZIKOYPWMV-UHFFFAOYSA-N 276.105 -0.895 50 20 CBGD CCn1ccc(CNCc2cccc(B(O)O)c2)n1 585045766 HRCVDDVSABHVSJ-UHFFFAOYSA-N 259.118 -0.127 50 20 CBGD OB(O)c1cccc(-c2noc(C3(O)CCOCC3)n2)c1 585054608 YIMXMRBMWOACBK-UHFFFAOYSA-N 290.084 -0.586 50 20 CBGD Cc1nn(-c2ccccc2)cc1C(=O)NCB(O)O 585062058 PLXJOBUZGCAGGC-UHFFFAOYSA-N 259.074 -0.077 50 20 CBGD CC[C@H](C)n1nc(C(=O)NNC(=O)CO)cc1C 753439232 WQGUGJISZFNBQY-ZETCQYMHSA-N 254.290 -0.084 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 753445161 VCIIPGXQFCVFIS-QMMMGPOBSA-N 295.270 -0.682 50 20 CBGD Cn1nccc1C=NNC(=O)CNC(=O)c1cccnc1 763203736 BOTUCHUIXPNRNA-UHFFFAOYSA-N 286.295 -0.305 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@]1(O)CCSC1 765679299 UNKBOSYUBGZLDK-SNVBAGLBSA-N 261.347 -0.015 50 20 CBGD COc1nccnc1NNC(=O)Cc1cncn1C 791225786 OTSVNRZZXPZTET-UHFFFAOYSA-N 262.273 -0.096 50 20 CBGD CCCNC(=O)NNS(=O)(=O)c1cnn(C)c1C 793383201 YXTPQDPFZKLEHS-UHFFFAOYSA-N 275.334 -0.369 50 20 CBGD O=C(NN=C1CC(=O)N2CCCC[C@H]12)C(=O)NC1CC1 799474993 OVDWHUCKVLFNJP-SNVBAGLBSA-N 278.312 -0.478 50 20 CBGD O=C(CCn1cccn1)NNC(=O)N=c1cc[nH]cc1 802031018 CPIIEVXNQMAQRK-UHFFFAOYSA-N 274.284 -0.057 50 20 CBGD C[C@H]1COCCN1CCNC(=O)NNc1ncncc1F 814310215 NLPZYORNDUMLOO-VIFPVBQESA-N 298.322 -0.038 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1N 818340670 PZMQXXOEPYHWFQ-IVZWLZJFSA-N 256.350 -0.208 50 20 CBGD CC(=O)Nc1cccc(CC(=O)NNC(=O)CN(C)C)c1 819875897 NOYYUFVYIXGPCX-UHFFFAOYSA-N 292.339 -0.104 50 20 CBGD CCN(CCO)NC(=O)C1=C(C)N(C)c2ncnn2[C@H]1C 823879935 YITFUDWJLYUDKQ-JTQLQIEISA-N 294.359 -0.092 50 20 CBGD CCN(CCO)NC(=O)C1(COC)CCOCC1 823884777 JMYVOKNKYLTBDA-UHFFFAOYSA-N 260.334 -0.225 50 20 CBGD CCN(CCO)NC(=O)c1ccoc1CC(=O)OC 823885048 UJOJIHDSNDXCMT-UHFFFAOYSA-N 270.285 -0.046 50 20 CBGD CCOCC(=O)NNC(=O)NCc1nn(CC)nc1C 824701193 QAZZYAUUNFLTNV-UHFFFAOYSA-N 284.320 -0.527 50 20 CBGD COc1ncc(NC(=O)NNC(=O)O)cc1C(N)=O 832654705 TWZHZAJEWKDMLR-UHFFFAOYSA-N 269.217 -0.507 50 20 CBGD CCC[C@@H](O)CCNC(=O)c1cccc(B(O)O)c1 832694752 GRBAJRVWQUPZES-GFCCVEGCSA-N 265.118 -0.353 50 20 CBGD CCO[C@@H]1COC[C@H]1NC(=O)NNC(=O)C1CCC1 836650381 LEXNZQLRLUYTCH-NXEZZACHSA-N 271.317 -0.079 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NN=Cc1cnn(C)c1N 842548987 FPSJYOSJUFFMMF-APPZFPTMSA-N 251.290 -0.123 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1=COCCO1 843640820 PWNFNBLWKUPLRG-YUMQZZPRSA-N 256.258 -0.553 50 20 CBGD CCOC(=O)NCCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843971587 CMUZCNPZNWVIOE-RKDXNWHRSA-N 287.316 -0.305 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843974646 CMBBUPSJSUQZJO-IWSPIJDZSA-N 286.332 -0.604 50 20 CBGD O=C(Cn1nc2n(c1=O)CCCC2)NNc1ncccn1 845162814 KONJWYLTQXQKRZ-UHFFFAOYSA-N 289.299 -0.686 50 20 CBGD COCCN(C)NC(=O)C1(S(C)(=O)=O)CCC1 848378352 OCTVYDUITPSKOJ-UHFFFAOYSA-N 264.347 -0.437 50 20 CBGD C[C@H](NC(=S)NNC(=O)C1=NNC(=O)C1)C1CC1 855100843 JUNAGUXZCSASAY-YFKPBYRVSA-N 269.330 -0.844 50 20 CBGD CC(C)N(C)CCNC(=O)NNC(=O)c1cn[nH]c1 858194939 LUXIYDCMJKRPGO-UHFFFAOYSA-N 268.321 -0.306 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCC2CC2)N1 858257135 DDTJHOYXWDMVNI-QMMMGPOBSA-N 254.290 -0.605 50 20 CBGD CC[C@@H]1C[C@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858419961 UNTVOOIHESDLMC-GJMOJQLCSA-N 254.290 -0.606 50 20 CBGD COC(=O)N(C)CCNC(=O)NNC(=O)c1cn[nH]c1 858621728 ZPAMPWHIIOLCFA-UHFFFAOYSA-N 284.276 -0.948 50 20 CBGD COC(=O)C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 863870948 SWYNHMSIMNMPME-UHFFFAOYSA-N 291.112 -0.608 50 20 CBGD COC(=O)[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(C)(C)C 865908241 YNMHKELEYQPUME-LLVKDONJSA-N 293.128 -0.316 50 20 CBGD Cn1cc(C(=O)NNC(=O)/C=C\CN2CCOCC2)cn1 865936212 IJIXPWGMXUGZNT-IHWYPQMZSA-N 293.327 -0.931 50 20 CBGD COCCOCC(=O)NNC(=O)c1cn(C)nc1C(C)C 869909191 MFPWMSPXXAWZCN-UHFFFAOYSA-N 298.343 -0.033 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)Cn1nc(C)cc1C 915263230 FIVVEIPEFDBRFW-JTQLQIEISA-N 295.343 -0.438 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H]1C[C@H]1C(=O)OCC 930790654 ABAYGMHBVOGYTH-HTQZYQBOSA-N 257.290 -0.074 50 20 CBGD COCCN(C)NC(=O)[C@H]1CC(c2cn(C)nc2C)=NO1 935910666 NXVATEWIKFQQBD-GFCCVEGCSA-N 295.343 -0.169 50 20 CBGD CCN(CCO)NC(=O)C1CCN(S(C)(=O)=O)CC1 1119048102 UKPNEKJMQGSDEA-UHFFFAOYSA-N 293.389 -0.997 50 20 CBGD COC(=O)CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1119633265 KCVKRSBTWGYYTQ-QMMMGPOBSA-N 278.330 -0.958 50 20 CBGD CNC(=S)N(C)NC(=O)C1(S(C)(=O)=O)CC1 1261744320 CGEHOFSSVRIZEK-UHFFFAOYSA-N 265.360 -0.969 50 20 CBGD CNC(=O)NNC(=O)c1cccnc1-n1cccn1 1318041273 VRHJQQWEAULSIJ-UHFFFAOYSA-N 260.257 -0.159 50 20 CBGD CCO/C=C(/C#N)C(=O)N[C@H](CO)COC(C)=O 1321088466 NXINAGKODYFLRV-ABRRARGCSA-N 256.258 -0.529 50 20 CBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccccc1C 1321667671 LAKIHQHUSWKTOF-UHFFFAOYSA-N 279.252 -0.746 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)c1cnns1 1322468625 IWZBJIWMRBKJGP-UHFFFAOYSA-N 263.282 -0.063 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cc3n(n2)CCCO3)cn1 1326380528 HZYHHYXZKLNKGW-UHFFFAOYSA-N 290.283 -0.526 50 20 CBGD CNS(=O)(=O)c1cc(C(=O)NNc2cccnn2)co1 1337679438 QDJPADIUQAMNJT-UHFFFAOYSA-N 297.296 -0.265 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1cc(CN(C)C)on1 1350778535 NEKGSHDWIKMCGZ-MRVPVSSYSA-N 256.306 -0.306 50 20 CBGD Cn1ccnc1C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1 1549318339 PCDYVJZTEMUBOL-WDEREUQCSA-N 277.328 -0.267 50 20 CBGD O=C(O)c1ccc(NC(=O)c2ccc(B(O)O)cc2)nc1 1595236721 CUWDSPODPXKHND-UHFFFAOYSA-N 286.052 -0.288 50 20 CBGD Cc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)C(=O)O)c1 1600423861 HDBXDXZZEPADFL-UHFFFAOYSA-N 299.670 -0.181 50 20 CBGD O=C(Nc1ccc(C(=O)O)nc1)c1cccc(B(O)O)c1 1601598639 HVCUXHQPFQZKAS-UHFFFAOYSA-N 286.052 -0.288 50 20 CBGD O=C(O)[C@H](CCC1OCCO1)NS(=O)(=O)CCl 1601644329 HFOFDZXTPDGIMH-LURJTMIESA-N 287.721 -0.292 50 20 CBGD CC(=NNC(=O)NCC(=O)O)C1CCS(=O)(=O)CC1 1602986972 BMFPNPBIJDSSOB-UHFFFAOYSA-N 291.329 -0.429 50 20 CBGD CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)o1 1609288828 OLZSCGBMDMAVDB-UHFFFAOYSA-N 251.206 -0.967 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)C2=COCCO2)n1 47466246 YZCYHQSDIZCVTR-UHFFFAOYSA-N 280.284 -0.464 50 20 CBGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)c2cc(C)n[nH]2)C1 151466074 SNMVWGIZHXFHLZ-VIFPVBQESA-N 293.327 -0.262 50 20 CBGD O=C(NCCCN1CCOCC1)NNc1cccnn1 172433717 VMBNXFNRSZAIKY-UHFFFAOYSA-N 280.332 -0.175 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1cncc(F)c1 177691000 BGODJZXBRBMTEC-UHFFFAOYSA-N 268.248 -0.093 50 20 CBGD NC(=O)NC1(C(=O)NNC(=O)c2ccc(Cl)nc2)CC1 271123737 STEQFWOZPXZTPS-UHFFFAOYSA-N 297.702 -0.303 50 20 CBGD Cn1cc(C(=O)NNC(=O)C23CCCN2CCC3)cn1 290366076 AVKGVAWBDSAWOZ-UHFFFAOYSA-N 277.328 -0.191 50 20 CBGD COC(=O)N(C)NC(=O)Cn1nc2n(c1=O)CCCCC2 376038806 KZGWCMWEQHAWTF-UHFFFAOYSA-N 297.315 -0.499 50 20 CBGD CC(C)(O)CCNC(=O)c1ccc(B(O)O)c(F)c1 584978143 ULLPGDYNWSMIFY-UHFFFAOYSA-N 269.081 -0.604 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N(CCCO)C1CCC1 584979585 YLHTZVGWSKWPNN-UHFFFAOYSA-N 277.129 -0.257 50 20 CBGD CC[C@H](O)[C@@H](CC)NC(=O)c1cc(B(O)O)ccc1F 584996536 KDGNILPTSXOQRA-NEPJUHHUSA-N 283.108 -0.215 50 20 CBGD C[C@@H]1[C@@H](CO)CCCN1C(=O)c1ccc(B(O)O)c(F)c1 585000967 RXBXFPVVQNZONO-MWLCHTKSSA-N 295.119 -0.262 50 20 CBGD CCS(=O)(=O)C[C@H](C)NCc1ccccc1B(O)O 585024393 VUEJXYJOYHXZAW-JTQLQIEISA-N 285.174 -0.721 50 20 CBGD COc1nn(C)cc1NCc1ccc(B(O)O)cc1 585037873 MJSFSOZMCLLGPW-UHFFFAOYSA-N 261.090 -0.279 50 20 CBGD C[C@H](COC1CCCC1)CS(=O)(=O)NCB(O)O 585059405 MNHZUVPSKURCRZ-SECBINFHSA-N 279.167 -0.487 50 20 CBGD Cc1[nH]nc(C(=O)NNC(=O)NC2CC2)c1[N+](=O)[O-] 729343667 YZKRUPGFHMYUKS-UHFFFAOYSA-N 268.233 -0.267 50 20 CBGD CNC(=O)C1(C(=O)NNC(=O)c2ccncc2)CCC1 729965135 OKVYLCJHUNGPQE-UHFFFAOYSA-N 276.296 -0.241 50 20 CBGD CN(C)C(=O)NNC(=O)CCCn1ccccc1=O 735037679 MJXIMWKKDOJMHZ-UHFFFAOYSA-N 266.301 -0.069 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1nonc1C 736674101 PMWQORIGCGXPMB-UHFFFAOYSA-N 250.218 -0.516 50 20 CBGD CCn1nc(C)c(S(=O)(=O)NNC(=O)O)c1C 737311579 AVTGCAAMSUNTJL-UHFFFAOYSA-N 262.291 -0.019 50 20 CBGD O=C(O)CSCC(=O)NNC(=O)NCC(F)(F)F 740485690 WUPLIXVXERDYAW-UHFFFAOYSA-N 289.235 -0.303 50 20 CBGD CN1CCC[C@H](NC(=O)NNC(=O)C2CCC2)C1=O 748662598 AFBLBTLRGHVVIT-VIFPVBQESA-N 268.317 -0.262 50 20 CBGD O=C(NNC(=O)c1cnn[nH]1)c1ccc(O)c([N+](=O)[O-])c1 755256303 BEVKGSMPFVFIOG-UHFFFAOYSA-N 292.211 -0.507 50 20 CBGD Cc1cc(NC(=O)NNC(=O)Cc2cc[nH]n2)nn1C 757752376 AYEWQOADVSVSPW-UHFFFAOYSA-N 277.288 -0.153 50 20 CBGD COc1cc(C(=O)NNC(=O)N2CCOCC2)nn1C 772580862 QHFHRCVQYSWKQO-UHFFFAOYSA-N 283.288 -0.885 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)C[C@H](C)O 772776523 TUUSYUIYHJKCFA-UWVGGRQHSA-N 259.350 -0.119 50 20 CBGD CCC(=O)N1CC[C@@H](C(=O)NNC(=O)N2CCOCC2)C1 773061661 MSKICWIPYZVDGC-SNVBAGLBSA-N 298.343 -0.682 50 20 CBGD Cc1cc(NC(=O)NNC(=O)CN(C)C)c(=O)n(C)c1 775678406 PAIFLINYRNRBSB-UHFFFAOYSA-N 281.316 -0.592 50 20 CBGD Cc1cc(C(=O)NN(C)C(N)=O)ccc1-n1cnnn1 778412306 SPJSFKGHHSBYJS-UHFFFAOYSA-N 275.272 -0.374 50 20 CBGD CN(NC(=O)c1ccc2c(c1)nc(O)n2C)C(N)=O 778418944 WWGXCVSMJFXBNW-UHFFFAOYSA-N 263.257 -0.066 50 20 CBGD CN1CCN(CC(=O)NN=c2cc[nH]cc2Cl)CC1=O 781028934 JZKCAOCTZIMPLD-UHFFFAOYSA-N 297.746 -0.626 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CN2CCN(C)CC2)n1 794090117 OLLFSXHZZNCPHX-UHFFFAOYSA-N 291.355 -0.602 50 20 CBGD COC(=O)c1occc1C=NNC(=O)C(=O)NC1CC1 794774654 UISZGYFOVQPOTM-UHFFFAOYSA-N 279.252 -0.205 50 20 CBGD CCCNC(=O)NNC(=O)[C@H](NC(N)=O)C(C)(C)C 800328257 JRDKVUYLRJQAAP-ZETCQYMHSA-N 273.337 -0.190 50 20 CBGD O=C(CO)NNC(=O)Nc1cccc2c1OCC(=O)N2 810258701 YIAAMTKVWKJWHF-UHFFFAOYSA-N 280.240 -0.838 50 20 CBGD O=C(COC(F)(F)F)NNC(=O)c1ncccn1 822902238 FEUQUTGERKOTIT-UHFFFAOYSA-N 264.163 -0.226 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccnn1CCN(C)C 823125761 KCCKXWQDRWNSBO-UHFFFAOYSA-N 282.348 -0.249 50 20 CBGD CNC(=O)NNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 823425604 YFHBVALEGHAHDQ-IWSPIJDZSA-N 268.317 -0.359 50 20 CBGD C[C@H](OC[C@@H]1CCCO1)C(=O)NN(C)[C@@H](C)CO 823964644 CKVFHTBYXVJXJS-DCAQKATOSA-N 260.334 -0.086 50 20 CBGD C[C@@H](CO)N(C)NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 823993587 SZLGPPZZKGYJRV-GARJFASQSA-N 297.355 -0.495 50 20 CBGD CC(C)NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 824304871 HIPVLXSDQGTFPG-UHFFFAOYSA-N 278.276 -0.453 50 20 CBGD CCNC(=O)NNS(=O)(=O)c1csc(C(=O)O)c1 829799323 HGQQRXQRWNDPID-UHFFFAOYSA-N 293.326 -0.041 50 20 CBGD CC(C)(C)n1nnc(CC(=O)NN=c2cc[nH]cc2)n1 831868156 PTVNYSOZDHCHKF-UHFFFAOYSA-N 275.316 -0.069 50 20 CBGD CC(C)C[C@H](C(N)=O)C(=O)NNC(=O)N1CCN(C)CC1 839735337 YIAHCVVWQWDAQO-SNVBAGLBSA-N 299.375 -0.878 50 20 CBGD NCCNC(=O)NNC(=O)CCOc1ccccc1 841922018 VZDBTKOGRVACJR-UHFFFAOYSA-N 266.301 -0.255 50 20 CBGD O=C(CC1CC1)NNC(=O)[C@H]1CCCS(=O)(=O)C1 846228009 HRSKIOLCBXMDGD-VIFPVBQESA-N 274.342 -0.241 50 20 CBGD O=C(NNC(=O)[C@H]1CCCS1(=O)=O)c1ccccn1 847280818 IWJOHASCFPAMTQ-SECBINFHSA-N 283.309 -0.580 50 20 CBGD CCCn1cc(C(=O)NN(C)C(=S)NC)nn1 854923429 VPWNIJIMSBLEPR-UHFFFAOYSA-N 256.335 -0.231 50 20 CBGD CC[C@@H](C)OCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862458127 XVQQUVOSDYCKMJ-HTQZYQBOSA-N 257.290 -0.773 50 20 CBGD O=C1OCC[C@H]1CCOc1ccc(B(O)O)cc1 863865359 CPQKVNLZSGWQNN-SECBINFHSA-N 250.059 -0.302 50 20 CBGD O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccc(B(O)O)cc1 865604794 GCDCBAICMVMBEA-CQSZACIVSA-N 288.156 -0.420 50 20 CBGD Cc1nc2ccnn2cc1C(=O)NN(C)C[C@@H](C)O 910150751 VQYAOKXHOWEQPJ-MRVPVSSYSA-N 263.301 -0.005 50 20 CBGD C[C@H](O)CN(C)NC(=O)CC(=O)NCC(F)(F)F 910152129 LUEKVIVKUIOKJQ-LURJTMIESA-N 271.239 -0.601 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@@H](C)CN1CCOCC1 914851924 VSQPOCXERNTKCC-JTQLQIEISA-N 272.349 -0.307 50 20 CBGD O=C(CC[C@@H]1CCCO1)NNC(=O)CN1CCCC1=O 920435220 GIUNRNVXZJMVIQ-JTQLQIEISA-N 283.328 -0.285 50 20 CBGD O=C(CCl)NC[C@H]1CCC[C@]12NC(=O)NC2=O 1116438078 BDVMCIKNBBCPJC-LDWIPMOCSA-N 259.693 -0.280 50 20 CBGD Cc1onc(CO)c1C(=O)NNC(=O)NCC1CC1 1118374888 YOXLOFLXGZUDNN-UHFFFAOYSA-N 268.273 -0.171 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H](C)Cn1cccn1 1252438429 OREIDKQJQCXMBY-MRVPVSSYSA-N 283.288 -0.977 50 20 CBGD Cn1ccnc(NNC(=O)c2ccc3c(c2)nnn3C)c1=O 1252519168 SVOKGFCTAPYWAT-UHFFFAOYSA-N 299.294 -0.181 50 20 CBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNc1ccccn1 1263774213 RHAHEJLLOGVSKG-GHMZBOCLSA-N 261.329 -0.087 50 20 CBGD Cc1c(C(=O)NNC(=O)C(=O)N2CCCC2)cnn1C 1318119812 QYFNRRPZIKFJAT-UHFFFAOYSA-N 279.300 -0.888 50 20 CBGD CN(C)N(C(=O)[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1318459071 JSZIRPWIOVULHL-VHSXEESVSA-N 276.358 -0.485 50 20 CBGD Nc1cnnc(NNC(=O)CN2CCCC2=O)c1Cl 1319240666 MCASOCIEUHXGIO-UHFFFAOYSA-N 284.707 -0.222 50 20 CBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)N(C)C)co1 1319705983 XBNQDLOHJSECHY-UHFFFAOYSA-N 290.301 -0.896 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCC[C@H]1CCO 1320503719 HPGRXYRMPUDLMX-YUMQZZPRSA-N 273.289 -0.959 50 20 CBGD C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1cnnn1C 1327873623 ILAVKFFQABHGIL-IUCAKERBSA-N 269.305 -0.158 50 20 CBGD Cn1ccnc(NNC(=O)[C@H]2CCc3nccn3C2)c1=O 1331002135 JKDXZSHKMYEDDJ-VIFPVBQESA-N 288.311 -0.318 50 20 CBGD Cc1ccc(CC(=O)NNC(=O)CS(C)(=O)=O)cn1 1331737358 YSSXOZMEZNLAOS-UHFFFAOYSA-N 285.325 -0.875 50 20 CBGD CCn1ncc(C(=O)N2CC[C@@H](B(O)O)C2)c1C 1331897335 WKVSUYKMRDQTNE-SECBINFHSA-N 251.095 -0.100 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1cnc[nH]1 1332208837 SIJPRYGJXWKUJI-IONNQARKSA-N 252.274 -0.475 50 20 CBGD COC(=O)N(C)NC(=O)N[C@@H]1CC(=O)N(C(C)C)C1 1336435091 VGOLJIKPHCROBZ-MRVPVSSYSA-N 272.305 -0.092 50 20 CBGD CC(C)Cn1[nH]c(CC(=O)NNC(=O)N(C)C)cc1=O 1354845744 CNYKERMJXPZPCN-UHFFFAOYSA-N 283.332 -0.323 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@]2(C)C[C@@H](O)CN2)o1 1574148965 DPOBMPNYDPTXSD-PRHODGIISA-N 267.285 -0.538 50 20 CBGD O=C(O)c1cc(C(=O)NNC(=O)[C@H]2CCCS2)[nH]n1 1574579031 SOYQMTVJBKHXCG-SSDOTTSWSA-N 284.297 -0.236 50 20 CBGD C[C@@H](OCc1cnn[nH]1)C(=O)NNc1ncccn1 1575880837 XEPRZQGIUYSMBO-SSDOTTSWSA-N 263.261 -0.357 50 20 CBGD O=C(Cc1cnccc1Cl)NNC(=O)[C@@H]1CCN1 1580576478 MZNUENIETZEEMW-VIFPVBQESA-N 268.704 -0.213 50 20 CBGD CC1(C)C[C@@]1(C(=O)O)C(=O)NNC(=O)[C@@H]1COCCO1 1589219652 PQZNUTZMLHRWTM-MADCSZMMSA-N 286.284 -0.950 50 20 CBGD CCN(CCNC(=O)NNC(=O)C(=O)O)C(C)C 1596334287 BYVFUJAZMTUIJQ-UHFFFAOYSA-N 260.294 -0.868 50 20 CBGD O=C(O)CSCCC(=O)NNC(=O)c1cnsn1 1602098574 HXIGRQITLBNNKY-UHFFFAOYSA-N 290.326 -0.493 50 20 CBGD C[C@H]1Oc2ccccc2[C@@H]1NC(=O)NNC(=O)C(=O)O 1604836725 ICTCWXFBGHIAGE-HZGVNTEJSA-N 279.252 -0.076 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cc(C(=O)O)no1 1607939132 JVCYWWCMNCPVGL-UHFFFAOYSA-N 279.212 -0.521 50 20 CBGD C[C@@H]1CN(C)C[C@@H](C(=O)NN=Cc2c[nH]c(C(=O)O)c2)O1 1776092420 LTNRLXHGSVLEON-KCJUWKMLSA-N 294.311 -0.118 50 20 CBGD CNC(=O)NNC(=O)c1ccccc1SCC(N)=O 48949668 YIYQIOMIRKEEQT-UHFFFAOYSA-N 282.325 -0.162 50 20 CBGD CNC(=O)NNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 48962160 KLRBVAGCEKYWHJ-UHFFFAOYSA-N 298.324 -0.306 50 20 CBGD O=C(CN1CC[C@@H](C(=O)O)C1)NNC(=O)c1ccccc1 62133682 UOXLJRGDNQLYJZ-LLVKDONJSA-N 291.307 -0.146 50 20 CBGD O=C(COc1ccccc1O)NNC(=O)[C@H]1COCCO1 264477027 HFGAOEYBUFRICH-LLVKDONJSA-N 296.279 -0.666 50 20 CBGD COc1ccc(NNC(=O)NCCS(C)(=O)=O)nc1 276047657 YLKBTYQSPYDRJD-UHFFFAOYSA-N 288.329 -0.239 50 20 CBGD COC(=O)NCC(=O)NNC(=O)c1cccc(C)n1 279816559 OWVYBUBZENBXDT-UHFFFAOYSA-N 266.257 -0.493 50 20 CBGD O=C(COc1ccccc1F)NNC(=O)[C@@H]1COCCO1 298434130 PNMIKFXBPIBCLO-NSHDSACASA-N 298.270 -0.233 50 20 CBGD CN(C)C(=O)NNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 299401049 VRKIJRQPMGXCKH-IUCAKERBSA-N 296.327 -0.536 50 20 CBGD CCO/C=C\C(=O)NNC(=O)CNC(=O)c1ccco1 493216526 IQANJZIYHJOLIQ-ALCCZGGFSA-N 281.268 -0.293 50 20 CBGD COC[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584945998 OCMGLLBAQCMDTO-LLVKDONJSA-N 277.129 -0.135 50 20 CBGD O=C(N[C@@H](CO)CC1CC1)c1cc(B(O)O)ccc1F 584969233 KJNQQFDCZHCZMN-SNVBAGLBSA-N 281.092 -0.604 50 20 CBGD CC[C@H](C)C[C@@H](CO)NC(=O)c1ccc(B(O)O)cc1 585003887 TZUUMKVXRNQUSP-GWCFXTLKSA-N 279.145 -0.107 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCCn3ncnc32)c(F)c1 585027145 XRYGRBPHLBERSI-LBPRGKRZSA-N 290.107 -0.278 50 20 CBGD COCCCN(C)CCNCc1ccc(B(O)O)cc1 585027402 SBZHWVDVDKLVKL-UHFFFAOYSA-N 280.177 -0.576 50 20 CBGD CO[C@@H]1COCC[C@H]1CNCc1ccc(B(O)O)cc1F 585043512 NORARGWNKJXFIP-SMDDNHRTSA-N 297.135 -0.353 50 20 CBGD CN(C)C(=O)CNC(=O)NNC(=O)c1cccc(C#N)c1 729042731 KDWCQPIWJJSZBI-UHFFFAOYSA-N 289.295 -0.410 50 20 CBGD C=C(C)CNC(=S)NNC(=O)[C@@H]1CCS(=O)(=O)C1 730596562 QEEZFUJKSQAHAJ-MRVPVSSYSA-N 291.398 -0.508 50 20 CBGD CC(C)NC(=O)CNC(=S)NNC(=O)C1CCC1 731945611 XAQYGPUXZUSKLM-UHFFFAOYSA-N 272.374 -0.194 50 20 CBGD CC(C)[C@@H](C(=O)NNC(=O)N1CCOCC1)N(C)C 732064093 WXPNITGDUIIWMJ-JTQLQIEISA-N 272.349 -0.354 50 20 CBGD CCOC(=O)CN(CC(=O)NNC(=O)C1CC1)C(C)C 733194386 NZDBIJVKEOSWJZ-UHFFFAOYSA-N 285.344 -0.183 50 20 CBGD CCCNC(=O)NNC(=O)[C@@]1(C)CCN(C(C)=O)C1 746839174 SUCCKDNJPKVVFM-LBPRGKRZSA-N 270.333 -0.015 50 20 CBGD CCO[C@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 748239521 IBINUNJUICSBGQ-MRVPVSSYSA-N 257.290 -0.819 50 20 CBGD Cc1noc(C)c1[C@H](C)CC(=O)NNC(=O)CO 753445263 XDSLQEHYBFJCNU-ZCFIWIBFSA-N 255.274 -0.075 50 20 CBGD C[C@](O)(CC(=O)NNC(=O)N1CCOCC1)C1CC1 755773442 GKBDJJTXLZOCHL-LBPRGKRZSA-N 271.317 -0.390 50 20 CBGD COC(=O)C(C)(C)CNC(=O)NNC(=O)c1cnn(C)c1 756981349 NMPHFOXFWLRTHJ-UHFFFAOYSA-N 297.315 -0.437 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(C2CC2)cc1 764429865 OWXRWIMXMOJXEV-UHFFFAOYSA-N 277.280 -0.358 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCCOC 772020906 FTHAGUFKYPKODQ-QMMMGPOBSA-N 260.290 -0.098 50 20 CBGD Cc1cnn(-c2c(C(=O)NN(C)C(N)=O)c(C)nn2C)c1 779041848 YFHZSDHXUNESCR-UHFFFAOYSA-N 291.315 -0.122 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)COc1ccccc1O 780931623 BKMIKPHEJKKCHY-UHFFFAOYSA-N 295.295 -0.555 50 20 CBGD O=C1CC[C@H](C(=O)NNc2ncncc2Cl)N1 781819066 WWKASUUTLOLQKG-ZCFIWIBFSA-N 255.665 -0.148 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN[C@H]1CCCC[C@@H]1C(N)=O 782540616 XEYDVOVYMWWRBB-UWVGGRQHSA-N 298.387 -0.186 50 20 CBGD CSCCNC(=S)NNC(=O)C1(C)COC1 782766587 OAPYSYGIKVFNNE-UHFFFAOYSA-N 263.388 -0.119 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)CN1 802034404 MFLDCRWQWCBBMA-QMMMGPOBSA-N 277.284 -0.818 50 20 CBGD COc1cc(C(C)=NNC(=O)C(=O)NC2CC2)on1 814778034 NLPIRHHENQIMQR-UHFFFAOYSA-N 266.257 -0.198 50 20 CBGD O=C(O)CSCC(=O)NNC(=O)Cc1ccncc1 819539823 WFQJXDMFMQBHIO-UHFFFAOYSA-N 283.309 -0.411 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 824540517 ZLPKJRSAGYYPTM-LURJTMIESA-N 290.287 -0.633 50 20 CBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)C(=O)N(C)C 825721138 JUUQLLULADPXEP-XHNCKOQMSA-N 286.332 -0.782 50 20 CBGD O=C(COc1ccccc1F)NNC(=O)N[C@H]1CCNC1 841938587 GEZWRPWEALHRDH-VIFPVBQESA-N 296.302 -0.103 50 20 CBGD CCNC(=O)NNS(=O)(=O)C[C@H](OC)C(C)C 842583251 MQBFWURWNRWVIC-QMMMGPOBSA-N 267.351 -0.189 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](C)[C@](C)(CO)C1 852701360 BMGJMIOQOBXSPA-KWBADKCTSA-N 271.361 -0.117 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CCCN1C=O 854185890 OIMWBFFWPWNKMA-QMMMGPOBSA-N 256.331 -0.712 50 20 CBGD O=C(NNC(=O)[C@H]1CCCCO1)c1ccn2nnnc2c1 854683965 XQCSUDTXMBZWEY-SECBINFHSA-N 290.283 -0.546 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCc2nn[nH]c21)c1ncccn1 854952847 OGLHWSJUIYPKNI-SSDOTTSWSA-N 287.283 -0.524 50 20 CBGD COC[C@H](OC)C(=O)NNc1ncnc2[nH]cnc12 857128837 GNKQELGWQTVKQN-LURJTMIESA-N 266.261 -0.543 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H](CO)CC2CCC2)N1 858699460 QNLOIPCJCAJKKJ-VHSXEESVSA-N 298.343 -0.854 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ncc(F)cc2F)N1 862459256 QEWFGVWRRLYPHJ-SSDOTTSWSA-N 284.222 -0.601 50 20 CBGD CSc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 862461219 OMJZMGRHKXHRIL-QMMMGPOBSA-N 294.336 -0.157 50 20 CBGD C[C@H]1CC(=NNC(=O)[C@H]2CCC(=O)N2)c2nccn21 863149491 ARQGHFUSEMBRGF-JGVFFNPUSA-N 261.285 -0.053 50 20 CBGD COC(=O)[C@H](C)CN(C)C(=O)c1cccc(B(O)O)c1 863872833 MZTUHBDBIDXVNW-SECBINFHSA-N 279.101 -0.753 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H](C(C)C)N(C)C 869908462 NWYZUJZGGPUUGZ-LLVKDONJSA-N 275.349 -0.617 50 20 CBGD CCC(=O)N1CC[C@@H](NC(=O)NN(C)C(=O)OC)C1 875383323 WSVOHYCNDVGDEO-MRVPVSSYSA-N 272.305 -0.090 50 20 CBGD C#CCCCC(=O)NNC(=O)CCS(=O)(=O)N(C)C 887145673 NKZDZSANCQKUMU-UHFFFAOYSA-N 289.357 -0.781 50 20 CBGD O=C(NCC[C@H](O)C1CC1)c1cc(B(O)O)ccc1F 890713275 GMKIFJMQFKQZCV-LBPRGKRZSA-N 281.092 -0.604 50 20 CBGD O=C(CN1CCCC1=O)NN=Cc1ccc(O)c(O)c1O 916359027 FMLCHBVZZKOFEC-UHFFFAOYSA-N 293.279 -0.124 50 20 CBGD CCO[C@@H]1C[C@H]1C(=O)NNC(=O)CN1CCCC1=O 920432608 CWJNWZOKRZVPFH-RKDXNWHRSA-N 269.301 -0.819 50 20 CBGD CCC/C=C/C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 920432775 CSTHWGONWUHVGI-MOVJSRMASA-N 274.342 -0.075 50 20 CBGD O=C1C[C@H](C(=O)NNC(=O)Cc2ccncc2)CCN1 1116274967 YTTVHJRHQLVZKY-SNVBAGLBSA-N 276.296 -0.702 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1 1116451773 IXIYSPGKJYJIFC-RQJHMYQMSA-N 292.299 -0.063 50 20 CBGD CCC1(C(=O)NNC(=O)C(=O)NC2CC2)CCOCC1 1254301684 FCZJRKOZKZYVDY-UHFFFAOYSA-N 283.328 -0.381 50 20 CBGD CC(C)CNC(=S)NNC(=O)CCN1CCOCC1 1317668762 WEOMOUDXFLPDMM-UHFFFAOYSA-N 288.417 -0.140 50 20 CBGD Cc1nnc2n1C[C@@H](C(=O)NNC(=O)N(C)C)CC2 1319628326 VGGZSGYWWWJTLF-QMMMGPOBSA-N 266.305 -0.549 50 20 CBGD CCC1(C(=O)NNC(=O)C(=O)NC(C)C)CCOCC1 1319900364 XDVPXFZTHUXXCD-UHFFFAOYSA-N 285.344 -0.135 50 20 CBGD Cc1ccc(NNC(=O)NCc2ncn(C)n2)nn1 1320491538 UTPFCXRZGOGYCD-UHFFFAOYSA-N 262.277 -0.260 50 20 CBGD COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)NNC(C)=O 1320510173 IUAFBYNPFASAKG-UHFFFAOYSA-N 282.256 -0.784 50 20 CBGD NC(=O)c1nccnc1C(=O)NN=c1cc[nH]cc1Cl 1320570999 ZGUNQMZRPMLXCW-UHFFFAOYSA-N 292.686 -0.197 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccnn1CC1CC1 1323968330 QOYKEGUFKCIPLH-UHFFFAOYSA-N 281.272 -0.381 50 20 CBGD Cc1cc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)ncn1 1324430121 KHRMHTUSKQAPEK-MRVPVSSYSA-N 285.329 -0.827 50 20 CBGD NC(=O)Nc1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1 1329294021 VQSPRKPLEMWVAI-VIFPVBQESA-N 277.089 -0.134 50 20 CBGD CCn1ccc(CC(=O)N2CC[C@H](B(O)O)C2)n1 1330261766 HNPJOSLZALCTOJ-VIFPVBQESA-N 251.095 -0.479 50 20 CBGD C[C@@]1(CNC(=O)CNCCN)C[C@@H]1Br 1354356518 DOIZUKRHKVNWND-CBAPKCEASA-N 264.167 -0.176 50 20 CBGD C[C@H](C(=O)NNC(=O)[C@H]1CCN1)N1CCCCCC1 1575068846 HRYYBXVVXHSQIV-GHMZBOCLSA-N 268.361 -0.240 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CO[C@@H](CCC(=O)O)C1 1588795853 MUNYQQQHWZGOOM-SFYZADRCSA-N 288.300 -0.825 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)c1cnc(C(=O)O)cn1 1594676105 WVSCQEZWYUIFIE-UHFFFAOYSA-N 292.173 -0.112 50 20 CBGD CS[C@@H]1CC[C@@H](NC(=O)NNC(=O)C(=O)O)C1 1599788429 VFQILJIMBQYZKG-PHDIDXHHSA-N 261.303 -0.315 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@](F)(C(=O)O)C1 1602626660 KCTDLTPBIMSNDA-GFCCVEGCSA-N 281.048 -0.995 50 20 CBGD CCN(CCO)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1604319902 XYVVQOBLCSBJPF-UHFFFAOYSA-N 265.277 -0.846 50 20 CBGD COc1ncncc1C=NNC(=O)NCC(=O)O 1610371978 CPAVRBBVLHDQRT-UHFFFAOYSA-N 253.218 -0.797 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccnc(F)c1 106451877 UDQPLDRNUICSTE-UHFFFAOYSA-N 263.232 -0.053 50 20 CBGD O=C(CCc1ccccc1O)NNC(=O)[C@H]1COCCO1 264351839 CYHJGJMDVRMUGK-GFCCVEGCSA-N 294.307 -0.112 50 20 CBGD CNC(=O)NNC(=O)c1c(C)[nH]c(C(=O)OC)c1C 269349564 REPYVHYFNFKAQV-UHFFFAOYSA-N 268.273 -0.008 50 20 CBGD C[C@@H](C(=O)NNC(=O)C(C)(C)O)n1nnnc1C(C)(C)C 277866676 CLGNZMAGGACJIT-ZETCQYMHSA-N 298.347 -0.550 50 20 CBGD C#CCNC(=O)NNC(=O)COc1ccccc1O 490630003 OXVLJTSEDUKITC-UHFFFAOYSA-N 263.253 -0.265 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@H]2[C@@H](O)CC[C@H]2C1 584975232 ZPZOVBUBRCKDSZ-CWSCBRNRSA-N 293.103 -0.652 50 20 CBGD COC[C@@H](C)[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 584992279 NPISMMOTYOHAIG-NXEZZACHSA-N 265.118 -0.233 50 20 CBGD COCCOCCN(C)C(=O)c1ccc(B(O)O)c(F)c1 584993600 RMLQSMJMPZTNNE-UHFFFAOYSA-N 299.107 -0.760 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@@H](O)CC1 584993861 AGPIQNMYKUVKEK-SNVBAGLBSA-N 281.092 -0.508 50 20 CBGD O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc(B(O)O)c1 585002897 HMNZDZAZGJYOHZ-UTUOFQBUSA-N 261.086 -0.584 50 20 CBGD C[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@@]1(C)CO 585009128 PXULOCNZHZRJDP-XPTSAGLGSA-N 295.119 -0.404 50 20 CBGD CC(C)COC[C@@H](O)CNCc1ccc(B(O)O)o1 585018586 MGVXIOCBEAUXJT-JTQLQIEISA-N 271.122 -0.918 50 20 CBGD CCCN(CC)CCNCc1ccc(B(O)O)o1 585025863 FMXPXMSPWWXBLN-UHFFFAOYSA-N 254.139 -0.219 50 20 CBGD CCO[C@H]1COCC[C@H]1NCc1ccccc1B(O)O 585035739 YJVXSKYDQYUMNV-KGLIPLIRSA-N 279.145 -0.350 50 20 CBGD C[S@](=O)C1(CNCc2ccccc2B(O)O)CCC1 585039960 XRBSHSQRJUATRW-IBGZPJMESA-N 281.186 -0.243 50 20 CBGD OB(O)c1ccc(CNCCO[C@H]2CC2(F)F)o1 585047862 WOFSXHMVAUZYKE-QMMMGPOBSA-N 261.033 -0.527 50 20 CBGD CCn1nccc1CNCc1ccc(B(O)O)cc1 585049169 CIKNRLXIWFKNQV-UHFFFAOYSA-N 259.118 -0.127 50 20 CBGD CCN(CC)C(=O)CCC(=O)N1CC[C@@H](B(O)O)C1 585067932 WYPVVSLLUYLYTI-SNVBAGLBSA-N 270.138 -0.290 50 20 CBGD CC(C)(C)CC(=O)NCC(=O)N1CC[C@H](B(O)O)C1 585078301 XNFPKWRROIVRJJ-VIFPVBQESA-N 270.138 -0.386 50 20 CBGD C[C@H](C(=O)NNC(=O)NCC1CC1)n1cncn1 729920620 NSPVMVGJCICKMG-SSDOTTSWSA-N 252.278 -0.421 50 20 CBGD CCOC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cn1 736599480 BBJWWZRRBCFNDW-UHFFFAOYSA-N 277.244 -0.347 50 20 CBGD CN(C)N(C(=O)[C@@H]1C[C@H]1C(=O)O)[C@@H]1CCS(=O)(=O)C1 737370930 SESJYJLONPKEBA-IWSPIJDZSA-N 290.341 -0.801 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cc(F)ccc1C(=O)O 737542914 LDLBTEADFZFGAS-UHFFFAOYSA-N 291.260 -0.354 50 20 CBGD C=CCNC(=S)NNC(=O)C(=O)NC(CC)CC 740773103 VZJIJWXSFDTGKU-UHFFFAOYSA-N 272.374 -0.028 50 20 CBGD Cn1cc(C(=O)NNc2ccccc2F)c(=O)n(C)c1=O 748049145 VSCGPQRQWGAJQB-UHFFFAOYSA-N 292.270 -0.020 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccc(C=O)[nH]2)cn1 750004345 SCXSTADNOWFFJN-UHFFFAOYSA-N 261.241 -0.365 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C)N(C)C 750613286 HLYQNSBBPLNKDS-QMMMGPOBSA-N 272.349 -0.611 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(OCCO)CC1 757128432 DKEUIGYKKIPSBE-JTQLQIEISA-N 287.360 -0.594 50 20 CBGD C[C@H](CS(C)(=O)=O)C(=O)NN=c1cc[nH]cc1 780761052 DTPDUYPCTFBQPW-MRVPVSSYSA-N 257.315 -0.373 50 20 CBGD CC(C)NC(=O)NNC(=O)COCc1ccnn1C 786015746 XNSISAWJTINSBM-UHFFFAOYSA-N 269.305 -0.325 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCCO2)CC1 788165262 ANABTEPNBJTJSF-SECBINFHSA-N 256.306 -0.846 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)NCC(F)(F)F 798314439 LTSZELINCGMRNS-QMMMGPOBSA-N 292.261 -0.023 50 20 CBGD C[S@](=O)CCNC(=O)NNc1ncncc1F 814303932 DGFBPTQZNHYYPN-KRWDZBQOSA-N 261.282 -0.380 50 20 CBGD COCCC(C)=NNC(=O)N[C@H]1CCS(=O)(=O)C1 814815515 AMYUHGOIEXLBIF-VIFPVBQESA-N 277.346 -0.115 50 20 CBGD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NN(C)C1CC1 819650340 IRGKPRLPOIXLBP-GMSGAONNSA-N 255.318 -0.613 50 20 CBGD COC(=O)c1ccc(C(=O)NN(C)[C@H](C)CO)cn1 823977169 PWEGFOHMUSLRFZ-MRVPVSSYSA-N 267.285 -0.174 50 20 CBGD O=C(NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1)c1cnn[nH]1 833149441 QKGVOQCZESMCPM-NKWVEPMBSA-N 281.272 -0.543 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cn2cccnc2n1 843976769 YWUNXWKLTFNHPW-RKDXNWHRSA-N 289.295 -0.085 50 20 CBGD CC(C)c1nccnc1NNC(=O)[C@@H]1CCS(=O)(=O)N1 846019462 SRQRCFBHMMJYNW-QMMMGPOBSA-N 299.356 -0.265 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2cccc(F)n2)CC1=O 852712162 HEJSWPQUYIPJHG-UHFFFAOYSA-N 295.274 -0.651 50 20 CBGD C=C[C@H](CO)NCC(=O)NNC(=O)c1cccs1 852714240 GHXGTJNBVWMRPY-MRVPVSSYSA-N 269.326 -0.354 50 20 CBGD CC1CC(CNC(=O)NNC(=O)C(=O)NC2CC2)C1 856961516 JJOAYUDIYQAGTD-UHFFFAOYSA-N 268.317 -0.359 50 20 CBGD C[C@](O)(C(=O)NNC(=O)c1cn[nH]c1)C1CCC1 862470633 UBDCLLXRJXUAHP-LLVKDONJSA-N 252.274 -0.278 50 20 CBGD CCC(=NNC(=O)[C@H]1CCC(=O)N1)c1nccn1C 863147819 MQLJLCSHQIJVGO-SECBINFHSA-N 263.301 -0.071 50 20 CBGD CN(C)c1ccncc1C=NNC(=O)CS(C)(=O)=O 863188145 ZNIXOYYNEFHKLR-UHFFFAOYSA-N 284.341 -0.358 50 20 CBGD C[C@@H](O)CN(CC(F)F)C(=O)c1cccc(B(O)O)c1 863885309 HRWSMGSLPMUQRT-MRVPVSSYSA-N 287.071 -0.546 50 20 CBGD CON1CCC(N(C)C(=O)c2ccc(B(O)O)cc2)CC1 863885760 OJKRJIXHKTUIBL-UHFFFAOYSA-N 292.144 -0.536 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@H]2C[C@@]23CCOC3)n[nH]1 869016024 YTRMICRSLCTNLD-ZWNOBZJWSA-N 278.312 -0.165 50 20 CBGD CC(C)(CN1CCOCC1)C(=O)N1CC[C@@H](B(O)O)C1 902551425 GEXKNPOSYDRLRT-LLVKDONJSA-N 284.165 -0.580 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccnc(-n2cncn2)c1 910168445 OPQJOLUSKNPKTI-SECBINFHSA-N 276.300 -0.380 50 20 CBGD Cc1cc(C)nc(NNC(=O)Cn2cccnc2=O)n1 915191926 QHVAMQFBJKSDHU-UHFFFAOYSA-N 274.284 -0.207 50 20 CBGD O=C(NNC(=O)c1cc(Cl)ccn1)C(=O)NC1CC1 1115825985 ZLMYWYKVDGJMCO-UHFFFAOYSA-N 282.687 -0.225 50 20 CBGD O=C(NCC1CC1)C(=O)NNc1nc2ccccn2n1 1116747010 BIVOQDDTXLZGLH-UHFFFAOYSA-N 274.284 -0.301 50 20 CBGD O=C1N[C@@H](C(=O)NNC(=O)c2ccc[nH]2)CCO1 1118860648 VTDTYLGXWAVGGF-SSDOTTSWSA-N 252.230 -0.726 50 20 CBGD Cc1cc(CC(=O)NNC(=O)C2=CCOCC2)n[nH]1 1118972634 GOPDJQGJFNIVCT-UHFFFAOYSA-N 264.285 -0.245 50 20 CBGD O=C(CCCn1cncn1)NNC(=O)Cc1ccncc1 1119529393 BLWGUHXXROIXKI-UHFFFAOYSA-N 288.311 -0.157 50 20 CBGD CC(C)C(=O)NNC(=O)NNC(=O)c1cccc(F)n1 1261642548 MWXYIXFRMGNPAB-UHFFFAOYSA-N 283.263 -0.148 50 20 CBGD CC[C@H]1C[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)CCO1 1261835011 FIOIRRIHBOZSMB-IUCAKERBSA-N 292.357 -0.616 50 20 CBGD CN(C)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 1318050097 KICNLODXAYVAEH-UHFFFAOYSA-N 289.295 -0.151 50 20 CBGD CCOC(=O)NNC(=O)CCC[C@]1(C)NC(=O)NC1=O 1324184293 PBBFPNNPTYWQSB-NSHDSACASA-N 286.288 -0.468 50 20 CBGD Cc1nnc(CN(C)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)o1 1327897206 FFAUOFPEYBOPDE-IONNQARKSA-N 297.315 -0.024 50 20 CBGD CN1CCC(C=NNC(=O)[C@H]2CCC(=O)N2)CC1 1329730895 JAWFSGWKHRUUAU-SNVBAGLBSA-N 252.318 -0.291 50 20 CBGD CCCc1nc(C)c(CNC(=O)NNC(=O)C(=O)OC)o1 1330173958 JFDZBCVHOKMYKL-UHFFFAOYSA-N 298.299 -0.061 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCCS1(=O)=O 1332870211 SODXPJWBMWMPNR-DJLDLDEBSA-N 290.341 -0.864 50 20 CBGD Cc1nn(C)cc1CCC(=O)NNC(=O)c1cc[nH]n1 1334780833 CPXKGHMUMUQGPM-UHFFFAOYSA-N 276.300 -0.155 50 20 CBGD Cn1cc(C(=O)NNC(=O)NOCC(F)F)cn1 1339603833 IRFPLUYTYKWORT-UHFFFAOYSA-N 263.204 -0.439 50 20 CBGD O=C(CN1C(=O)CCC1=O)NNC(=O)C1CCCC1 1346249773 MOOJSXDUMWTYGL-UHFFFAOYSA-N 267.285 -0.527 50 20 CBGD COc1cccnc1CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1348386040 DCRPGGPXUVHQCN-QMMMGPOBSA-N 292.295 -0.941 50 20 CBGD COC(=O)c1ccc(C(=O)N2CC[C@H](B(O)O)C2)cn1 1348490357 QIBWUKSCJKUJOC-VIFPVBQESA-N 278.073 -0.443 50 20 CBGD Cn1cnc(/C=C/C(=O)NNC(=O)NC2CCNCC2)c1 1579982622 LALOJHWBMSYLFB-NSCUHMNNSA-N 292.343 -0.484 50 20 CBGD NCCNC(=O)NNC(=O)c1ccc(OC(F)F)nc1 1580312171 FFCDNQXVECJRJY-UHFFFAOYSA-N 289.242 -0.414 50 20 CBGD C=C[C@H](O)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 1588526645 ZYXIFXRZLDOIEH-LURJTMIESA-N 295.690 -0.095 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CCCCC(=O)O 1588923300 QSEYLZHJRSXZPG-UHFFFAOYSA-N 273.289 -0.697 50 20 CBGD C[C@@H](C(=O)O)n1cccc1C=NNC(=O)[C@H]1CCC(=O)N1 1589539178 DDPCQLCYUYAQNI-WCBMZHEXSA-N 292.295 -0.138 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1cnnc(O)c1 1593163119 KJMVDXOPCFSDCC-UHFFFAOYSA-N 299.254 -0.486 50 20 CBGD Cc1cc(NNC(=O)[C@@H]2CC[C@H]2C(=O)O)nc(N)n1 1594325180 FCOKLJUAQIXSRU-RNFRBKRXSA-N 265.273 -0.079 50 20 CBGD O=C(O)[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 1595161405 SEYXSXGVFZYHAM-NSHDSACASA-N 277.085 -0.554 50 20 CBGD Cc1cc(S(=O)(=O)NNC(=O)N(C)C)oc1C(=O)O 1600300513 VRMBBUVMBOMKNJ-UHFFFAOYSA-N 291.285 -0.249 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@@H](C(=O)O)C1)c1cn[nH]c1 1601556211 RYJRHKFXISEKIJ-OLQVQODUSA-N 252.230 -0.719 50 20 CBGD O=C(O)CCNC(=O)CCNC(=O)NNc1cccnn1 1602021003 ZAWJLQWGZOKCBM-UHFFFAOYSA-N 296.287 -0.916 50 20 CBGD O=C(O)c1cc(C(=O)NNC(=O)N2CCOCC2)on1 1602246758 AUYCOGQWAMUUKT-UHFFFAOYSA-N 284.228 -0.941 50 20 CBGD CC(=O)N(C)CC(=O)NNc1ncccc1C(=O)O 1602740436 ABCHWNBYIATSCW-UHFFFAOYSA-N 266.257 -0.299 50 20 CBGD O=C(NNC(=O)C1(C(=O)O)CCC1)N1CCOCC1 1605814725 QDDSNKUNSKFXOQ-UHFFFAOYSA-N 271.273 -0.686 50 20 CBGD Cc1ccc(CCNC(=O)NNC(=O)C(=O)O)cn1 1607777021 JJQMZNAHSOBCTE-UHFFFAOYSA-N 266.257 -0.652 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)C(=O)NC(C)C 8390815 AIPBKBYEJJBDPI-UHFFFAOYSA-N 293.323 -0.090 50 20 CBGD CCC1(CNC(=O)NNC(=O)C(=O)NC2CC2)CC1 79128798 QZVNDSOFMONPDC-UHFFFAOYSA-N 268.317 -0.214 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNc1nccc(OC)n1 146978422 PBUAFINZNUOEFB-SSDOTTSWSA-N 282.304 -0.235 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H](C)N2CCSCC2)[nH]n1 153905334 DUHCLJFFQGQDEZ-VIFPVBQESA-N 297.384 -0.084 50 20 CBGD COC(=O)c1cc(B(O)O)ccc1Br 238338083 OUIKETNLSCVSSN-UHFFFAOYSA-N 258.864 -0.085 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)C2CCC2)nc1 264806287 VADFVZBQIDBTJX-UHFFFAOYSA-N 262.269 -0.258 50 20 CBGD O=C(NNc1cnccn1)[C@@H]1COCCN1CC(F)F 287284736 BBJNEHFCVBFYMN-QMMMGPOBSA-N 287.270 -0.114 50 20 CBGD CC(=O)C1(C(=O)NNC(=O)N2CCOCC2)CC1 293107015 YEXDOVWHZBRGKD-UHFFFAOYSA-N 255.274 -0.571 50 20 CBGD CCO/C=C(/C#N)C(=O)NCCNC(=O)N(C)C 490814488 VLUZMXRCTHHXRG-HJWRWDBZSA-N 254.290 -0.182 50 20 CBGD COC(=O)N(C)NS(=O)(=O)N1CC[C@@H](C)C1 497016834 NCEPIQCOOQYVDR-SSDOTTSWSA-N 251.308 -0.224 50 20 CBGD N#C[C@@]1(NC(=O)c2cccc(B(O)O)c2)CCSC1 584935967 ARGYEHUYWFBSMC-LBPRGKRZSA-N 276.126 -0.505 50 20 CBGD CC(=O)N1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H](C)C1 584959530 IBXIQAVSPHMDAI-SNVBAGLBSA-N 290.128 -0.941 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 584972599 AYBFEEKJLVAQRY-DRZSPHRISA-N 275.113 -0.791 50 20 CBGD C[C@@H]1C[C@H](O)CN(C(=O)c2cc(B(O)O)ccc2F)C1 585001117 UYEMDGOJEZHJIS-SCZZXKLOSA-N 281.092 -0.652 50 20 CBGD O=C1NCCCC[C@@H]1NCc1cccc(B(O)O)c1 585034656 LCPHMVMHEMFCTN-LBPRGKRZSA-N 262.118 -0.875 50 20 CBGD O=C1CCCN1CCNCc1ccc(B(O)O)cc1 585045663 KXFHLJNUAPDQSS-UHFFFAOYSA-N 262.118 -0.922 50 20 CBGD O=C(c1cnnn1-c1ccccc1)N1CC[C@H](B(O)O)C1 585065408 CXPMHPKIFBUHGB-JTQLQIEISA-N 286.100 -0.044 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(C#N)cc1 728436777 JCEAJKBMHXLSNQ-SECBINFHSA-N 294.336 -0.054 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(CCO)CCCO 732204964 HMYGYFVGIPTIKR-LLVKDONJSA-N 289.376 -0.755 50 20 CBGD CN(CCCC(=O)NNC(=O)N1CCOCC1)C(=O)O 737427340 QILRODLVPXBPDO-UHFFFAOYSA-N 288.304 -0.551 50 20 CBGD CS(=O)(=O)CCNC(=O)NNc1ccccn1 746516701 XGLJCFDNPLXLAA-UHFFFAOYSA-N 258.303 -0.248 50 20 CBGD N#Cc1cccc(NNC(=O)CN2CCC(=O)NC2=O)c1 748034483 SSSQWIXVFROKPI-UHFFFAOYSA-N 287.279 -0.057 50 20 CBGD CC[C@@H](CO)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 779580398 YWZQCOJTAMZKLX-CABZTGNLSA-N 294.307 -0.008 50 20 CBGD O=C(CN1CCCNC1=O)NNc1ncncc1Cl 781820360 QRDXEYACJFQVNP-UHFFFAOYSA-N 284.707 -0.012 50 20 CBGD CC[C@H]1CC[C@H](C(=O)NNC(=O)N2CCN(C)CC2)O1 788165644 FFDGILKRBXOIEV-WDEREUQCSA-N 284.360 -0.068 50 20 CBGD CCOCCC=NNC(=O)N[C@H]1CCS(=O)(=O)C1 788424766 AYSVKZLIEPBMTK-VIFPVBQESA-N 277.346 -0.115 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](CC)C(=O)OC 791634730 IOIOATBEXHEFMF-HTQZYQBOSA-N 288.300 -0.325 50 20 CBGD CN1CCN(C(=O)NN=Cc2cn(C)cn2)CC1 794536247 UQPPJLQNIHZGAV-UHFFFAOYSA-N 250.306 -0.289 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H](O)c1cccnc1 802028177 MPFMKTIVJBDNNP-NSHDSACASA-N 287.279 -0.215 50 20 CBGD CSCCNC(=S)NNC(=O)[C@H](O)C(C)C 802985917 QGVLRJLEEFRQHG-SSDOTTSWSA-N 265.404 -0.138 50 20 CBGD CCN(CCO)NC(=O)c1cncc(-n2ccnn2)c1 823884984 QXYXJYYWQZHGGV-UHFFFAOYSA-N 276.300 -0.379 50 20 CBGD C[C@H](OC[C@H]1CCCO1)C(=O)NN(C)[C@@H](C)CO 823964645 CKVFHTBYXVJXJS-GARJFASQSA-N 260.334 -0.086 50 20 CBGD CCC[C@@H]1CNCCN1CC(=O)NNC(=O)C1CC1 843365075 BJLREDAQNHNUTJ-LLVKDONJSA-N 268.361 -0.382 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCCn1cncn1 843980981 ZCCCHGUFVWWKCW-UWVGGRQHSA-N 281.316 -0.369 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2nnnn2CC1)c1ccc[nH]1 845107643 ODORFIINOGXNCY-MRVPVSSYSA-N 289.299 -0.585 50 20 CBGD O=C(NNC(=O)[C@H]1CCCS1(=O)=O)c1ccncc1 847281210 WSMNVILBKSRYEV-SECBINFHSA-N 283.309 -0.580 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@H]1CCCC(=O)N1 855000547 KCGPCPPSSAJFBT-RXMQYKEDSA-N 267.207 -0.245 50 20 CBGD CC(C)N(CC(=O)NNC(=O)CO)C(=O)OC(C)(C)C 857168898 DBTMBMKTZAARRM-UHFFFAOYSA-N 289.332 -0.228 50 20 CBGD COCCOCC(=O)NNC(=O)[C@]1(C)CCOC1 869908086 WNXSAHOEVAKENV-LLVKDONJSA-N 260.290 -0.777 50 20 CBGD CN1C(=O)CS/C1=C/C(=O)N1CC[C@@H](B(O)O)C1 902552927 ZKIYCHPZMIVUGN-JTACMZLOSA-N 270.119 -0.892 50 20 CBGD CC[C@@H]1C(=O)NCCCN1CC(=O)NNC(=O)C1CC1 933215702 ADXWYCQHFIMJKV-SNVBAGLBSA-N 282.344 -0.856 50 20 CBGD O=C(CN1CCC[C@H]1C1OCCO1)NNC(=O)C1CC1 933907704 ORRPRIJDMBPIIC-JTQLQIEISA-N 283.328 -0.619 50 20 CBGD CN(C)C(=O)NNC(=O)c1cncc(-n2ccnn2)c1 1256679378 DDQWHWBZSHRLBJ-UHFFFAOYSA-N 275.272 -0.422 50 20 CBGD COCCCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1261842503 ZDGNDZDLKBUARI-QMMMGPOBSA-N 257.290 -0.771 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@@H](C)CN1CCCC1 1318940735 BKRUFEXLVMGWDH-SECBINFHSA-N 286.332 -0.778 50 20 CBGD C[C@H](NCC(=O)NNC(=O)C(C)(C)C)c1nncn1C 1320456284 ILUOMFQTLWLXDE-QMMMGPOBSA-N 282.348 -0.341 50 20 CBGD COc1cccc(NC(=O)C(=O)NNC(=O)CCO)c1 1321152574 VDNWUVDUDXEPEP-UHFFFAOYSA-N 281.268 -0.837 50 20 CBGD CCNC(=O)NNC(=O)COCc1nnc(C)s1 1321833623 ONDCWFHVZCZKTH-UHFFFAOYSA-N 273.318 -0.287 50 20 CBGD CCOc1ncccc1CNC(=O)NNC(=O)C(=O)OC 1322252952 GAJVFFQPCVHZMR-UHFFFAOYSA-N 296.283 -0.516 50 20 CBGD C[C@H](CC(N)=O)C(=O)NNc1ccc(-n2ccnc2)nn1 1323249843 GKCWICKOXMENFW-MRVPVSSYSA-N 289.299 -0.383 50 20 CBGD O=C(CO)NNC(=O)[C@H]1CCS(=O)(=O)c2ccccc21 1324930478 JKJYQGAUPUHVMB-VIFPVBQESA-N 298.320 -0.913 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCn1cccn1 1326279071 IEQLFDQOJCKKNA-UWVGGRQHSA-N 281.316 -0.362 50 20 CBGD CCN1CCC(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 1328699276 DHAKYBITEHYHQT-JTQLQIEISA-N 297.359 -0.920 50 20 CBGD Cn1ccc(CC(=O)NNc2ncnc3[nH]cnc23)n1 1329555266 QLHXFNDYWFFDDY-UHFFFAOYSA-N 272.272 -0.228 50 20 CBGD C=CCOCCNC(=O)NNC(=O)C1CCNCC1 1329822334 ASLUHZCULUMHHD-UHFFFAOYSA-N 270.333 -0.481 50 20 CBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccnc(C)n1 1330143645 SRUZTXIULHWRET-JTQLQIEISA-N 261.285 -0.096 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1337270105 YANQFQVZQYRXOX-XWLWVQCSSA-N 258.318 -0.618 50 20 CBGD CO[C@H](C)CC(=O)NNc1nc(O)c2cnn(C)c2n1 1340733153 PPPOKTGSZXGOPN-ZCFIWIBFSA-N 280.288 -0.063 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)[C@]1(C)C[C@@H](O)CN1 1574166177 WQUBTZAGPPTWJE-YGRLFVJLSA-N 277.324 -0.131 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@@]12CCNC2)c1cccc(F)n1 1574333697 HXTYBDTXJNCYDN-AMIZOPFISA-N 278.287 -0.019 50 20 CBGD NC[C@@]1(C(=O)NNC(=O)c2ccncc2)CCCOC1 1580235905 HJWAHZDMWDMVLS-ZDUSSCGKSA-N 278.312 -0.402 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)[C@H]1C[C@H]2CC[C@@H]1N2 1580573078 BTAYVQSBSPGJCJ-WOPDTQHZSA-N 274.324 -0.088 50 20 CBGD O=C(NCC1[C@H]2CNC[C@H]12)NNC(=O)C1CCOCC1 1580642077 NLTBBHATTYICOD-UWVGGRQHSA-N 282.344 -0.791 50 20 CBGD O=C(NNC(=O)[C@H]1CCN1)c1c[nH]c2ccccc2c1=O 1580733457 VCUIJHCTUAXEMS-LLVKDONJSA-N 286.291 -0.349 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc(C(=O)O)cn1 1588796244 XQCRDRVKMJNGKQ-UHFFFAOYSA-N 267.241 -0.688 50 20 CBGD C[C@@H](CC(=O)O)NC(=O)NNC(=O)Cc1ccncc1 1589002223 SQXZHGNEGHDBEC-QMMMGPOBSA-N 280.284 -0.182 50 20 CBGD CO[C@](C)(C(=O)O)C(=O)NNC(=S)NCC1CCC1 1593926259 FINNEBXYMINOOG-NSHDSACASA-N 289.357 -0.229 50 20 CBGD Cn1ncc2c(O)nc(NNC(=O)C3(C(=O)O)CC3)nc21 1594585816 DVXKCQCSIPSKRA-UHFFFAOYSA-N 292.255 -0.623 50 20 CBGD O=C(O)[C@]1(NS(=O)(=O)CCCCl)CCOC1 1594883171 JKRAJQCRYMCFRV-QMMMGPOBSA-N 271.722 -0.222 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc(C(=O)O)cn1 1604045499 CRHKTEXTEJEECU-UHFFFAOYSA-N 252.230 -0.304 50 20 CBGD C#C[C@H](C)NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1609019531 WKMUUNABTAAXKO-QMMMGPOBSA-N 299.294 -0.168 50 20 CBGD CCO[C@@H]1C[C@H]1C(=O)NN=Cc1c(C(=O)O)cnn1C 1776102430 PLNRPZZQKQZFLE-GMSGAONNSA-N 280.284 -0.007 50 20 CBGD C[C@H]1CNCCN1CC(=O)NNC(=O)c1ccccc1 54373319 IBZVBSMZIPQIHZ-NSHDSACASA-N 276.340 -0.259 50 20 CBGD CCn1nc(C(=O)NNC(=O)c2ccc[nH]2)ccc1=O 110607912 TUVADBNELVKCBE-UHFFFAOYSA-N 275.268 -0.334 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(C(C)C)CC1 111199584 WEAYPICOWDWPNX-NSHDSACASA-N 270.377 -0.042 50 20 CBGD CN1CCO[C@H](C(=O)NNC(=O)CNc2ccccc2)C1 124712491 AGWSOQJNRGBUOU-LBPRGKRZSA-N 292.339 -0.424 50 20 CBGD Cc1oc(C(=O)O)cc1S(=O)(=O)NNC(=O)N(C)C 266768588 IODNLYBJZWPOMU-UHFFFAOYSA-N 291.285 -0.249 50 20 CBGD CNS(=O)(=O)c1csc(C(=O)NNC(=O)OC)c1 495326621 OGAFKHDVQRCPNG-UHFFFAOYSA-N 293.326 -0.343 50 20 CBGD O=C(NC[C@@H]1CCC[C@@H]1O)c1ccc(B(O)O)c(F)c1 584955955 SEIMFCQCWLOTDL-CABZTGNLSA-N 281.092 -0.604 50 20 CBGD COC[C@]1(NC(=O)c2ccc(B(O)O)c(F)c2)CCOC1 584998055 OEHLMTQJOLRASU-CYBMUJFWSA-N 297.091 -0.959 50 20 CBGD CC(=O)NCCCNCc1ccc(B(O)O)cc1F 585014913 IKSVARMXUFLRRM-UHFFFAOYSA-N 268.097 -0.879 50 20 CBGD C[C@H](NCc1ccccc1B(O)O)c1ncn(C)n1 585037370 VOAURXGLIHUNMS-VIFPVBQESA-N 260.106 -0.654 50 20 CBGD CN(C)N(C(=O)[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 728160918 CQHBWOXKHHALBI-MNOVXSKESA-N 290.385 -0.095 50 20 CBGD CO[C@H]1CCCCC1=NNC(=O)[C@H](C)NS(C)(=O)=O 728434449 LSYCMGGXFYQQNF-WPRPVWTQSA-N 291.373 -0.015 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cccn1C 728436511 GTHZZYDSACZCLG-MRVPVSSYSA-N 272.330 -0.587 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(C(=O)O)CC1 736846640 ICNVZFSVLSHNEW-QMMMGPOBSA-N 272.305 -0.772 50 20 CBGD Cn1cccc1C(=O)NNS(=O)(=O)CCC(=O)O 739042378 HDFPCGUDMKOIPF-UHFFFAOYSA-N 275.286 -0.936 50 20 CBGD COc1cc(C)nc(NNC(=O)NCC[S@](C)=O)n1 746768533 YIMRDFHXELDWKN-IBGZPJMESA-N 287.345 -0.202 50 20 CBGD NC(=O)c1cc(CNC(=O)NNc2ccccn2)on1 752191636 REPLUSSDJSEIOQ-UHFFFAOYSA-N 276.256 -0.005 50 20 CBGD O=C(CO)NNC(=O)c1cn(-c2ccccc2Cl)nn1 753443103 RWIWLENTBDKIAQ-UHFFFAOYSA-N 295.686 -0.326 50 20 CBGD CN1CCN(CC(=O)NNc2cc(Cl)nc(N)n2)CC1 753465009 XCNIVOKIVQMDMP-UHFFFAOYSA-N 299.766 -0.597 50 20 CBGD CCOCCCC(=O)NNc1ccc(C(N)=O)nn1 757404207 LJUZIKWSYNAGIK-UHFFFAOYSA-N 267.289 -0.165 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H]1CCNC(=O)C1 760451085 ZBWRFYRIGIUHME-MRVPVSSYSA-N 256.306 -0.357 50 20 CBGD CCN1CCC[C@H]1CNC(=S)NNC(=O)COC 761839535 WSXUADGACIYURB-VIFPVBQESA-N 274.390 -0.388 50 20 CBGD CO[C@@H](C)CC(=O)NNC(=O)CNC(=O)c1cccnc1 764344503 YJVCSYJOINCGIN-VIFPVBQESA-N 294.311 -0.616 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])n[nH]1 768277278 CWOLBTCLDBXJDO-UHFFFAOYSA-N 293.243 -0.267 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)N1CCCC1 770718562 DAQDEJXREQIKAD-RKDXNWHRSA-N 269.301 -0.819 50 20 CBGD CC(C)NC(=O)NNC(=O)[C@H]1CCCCS1(=O)=O 772520544 QBMHOLMRQNISQX-MRVPVSSYSA-N 277.346 -0.308 50 20 CBGD CC(C)(O)CCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 776258559 FREOQFQNUKLPNI-NSHDSACASA-N 293.389 -0.472 50 20 CBGD O=C(CN1C[C@@H]2C[C@@]2(CO)C1)NNC(=O)c1cccs1 782635526 VLCOZFKEVPYGSU-ZANVPECISA-N 295.364 -0.177 50 20 CBGD CC[C@@H](C)CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 792316609 JXDIXRQQJCLHGV-HTQZYQBOSA-N 279.362 -0.492 50 20 CBGD O=C(CO)NNC(=O)c1nc(Br)ccc1F 792658250 QBBNKKFJXXANFY-UHFFFAOYSA-N 292.064 -0.264 50 20 CBGD C[C@@H]1COC(=O)C1=NNC(=O)[C@H]1CCS(=O)(=O)C1 794889633 UHTIWAKULDMIAG-RQJHMYQMSA-N 274.298 -0.914 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)NCC(F)(F)F)C1=O 798313217 COTMWKJMKSOVMC-YFKPBYRVSA-N 282.222 -0.643 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F 823828952 KMXMGXKGVGBIOL-YUMQZZPRSA-N 297.277 -0.354 50 20 CBGD C[C@@H](CC(=O)O)C(=O)NNc1ncnc2[nH]cnc12 827304329 RRWFGQGFYZGKJK-YFKPBYRVSA-N 264.245 -0.093 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1CCN(C)CC1 843974774 DDDWXJOBRVFSKR-GXSJLCMTSA-N 269.345 -0.099 50 20 CBGD CCN1CCC[C@H]1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858120671 ITHKOEURJLTBRL-UWVGGRQHSA-N 297.359 -0.920 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCC[C@@H]2CCCCO2)N1 858352556 BNZLJACKFYHIJM-UWVGGRQHSA-N 298.343 -0.445 50 20 CBGD CC(C)(CC#N)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858533782 XKJNMHNLWOUKBZ-MRVPVSSYSA-N 281.316 -0.465 50 20 CBGD Cc1cccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 860909667 DAXOYBSMNXRZJK-MRVPVSSYSA-N 277.284 -0.179 50 20 CBGD CCc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)ccc1O 862460182 CQWGSVNZNONUBA-SNVBAGLBSA-N 291.307 -0.006 50 20 CBGD Cc1cc(=NNC(=O)CS(=O)(=O)C2CC2)cc[nH]1 862515184 LWAZPTFGPUIAKU-UHFFFAOYSA-N 269.326 -0.168 50 20 CBGD COC(=O)NNC(=O)Cn1cc(C(=O)OC)cn1 863854777 ZUVJPRZBNDJIOS-UHFFFAOYSA-N 256.218 -0.943 50 20 CBGD COCCOCC(=O)NNC(=O)c1cnc2n1CCC2 869903559 WBXZLVGZCHXBSG-UHFFFAOYSA-N 282.300 -0.747 50 20 CBGD C#CCN1CCC(C(=O)NNC(=O)COCCOC)CC1 869909338 RGKPDUXFCYWKBE-UHFFFAOYSA-N 297.355 -0.858 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1sccc1-n1cnnn1 910169597 FDJMVZJESWMODY-SSDOTTSWSA-N 282.329 -0.319 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccc(C(N)=O)cc1 910178602 NBNSBCCWQAIGIO-QMMMGPOBSA-N 251.286 -0.257 50 20 CBGD COc1cc(OC)nc(C(=O)NN(C)[C@@H](C)CO)n1 911445547 XTBSZUYZKXRYLJ-ZETCQYMHSA-N 270.289 -0.549 50 20 CBGD C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)CN1CCCC1=O 913732614 CJNDPHLQSSUCSM-UWVGGRQHSA-N 295.339 -0.239 50 20 CBGD C[C@@H](CN1CCOCC1)NC(=O)NNC(=O)c1ccc[nH]1 916470541 PFNIFCOSSRYHCZ-JTQLQIEISA-N 295.343 -0.321 50 20 CBGD CCO[C@@H](CC)C(=O)NNC(=O)C(=O)NC(C)C 919973713 BCBZUEUYTOKTQC-QMMMGPOBSA-N 259.306 -0.527 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N[C@H](C)c1ncn(C)n1 1116711039 FSWFFLRNNNXRJC-HTQZYQBOSA-N 268.321 -0.588 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC[S@](C)=O 1118182632 FYAUCDPPLJNTAP-LPDMDUEVSA-N 277.346 -0.880 50 20 CBGD O=C(c1cc(-n2cccn2)ccn1)N1CC[C@H](B(O)O)C1 1118976335 VXQVMPPGMGBJBS-JTQLQIEISA-N 286.100 -0.044 50 20 CBGD O=C1CC[C@H](C(=O)NNc2nc(-c3ccncc3)no2)N1 1251764990 GNWZCQFQBIXXRX-MRVPVSSYSA-N 288.267 -0.147 50 20 CBGD COc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)ccn1 1261841719 ARIJSFIEFTWZMS-MRVPVSSYSA-N 278.268 -0.870 50 20 CBGD O=C(NN=Cc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1317732468 QXPYWFGJYXLOCO-SECBINFHSA-N 267.310 -0.034 50 20 CBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)Cc1ccncc1 1318896553 AWSJKXJGPUXYTK-VIFPVBQESA-N 299.352 -0.548 50 20 CBGD CN(CC(=O)NNc1nccn(C)c1=O)C(=O)C1CC1 1318911087 UTHFJXCGIIRBFT-UHFFFAOYSA-N 279.300 -0.908 50 20 CBGD COC(=O)C(=O)NNC(=O)NCc1ccc(C)nc1 1319299978 OSEBFKJFFROZGW-UHFFFAOYSA-N 266.257 -0.607 50 20 CBGD Cc1ccc(C(N)=O)cc1NC(=O)NNC(=O)CCO 1320223084 SLGLHTZKLFSPRZ-UHFFFAOYSA-N 280.284 -0.371 50 20 CBGD COCCCOCC(=O)NNC(=O)Cc1cc[nH]n1 1320395167 NUQFNHBILBVLPS-UHFFFAOYSA-N 270.289 -0.847 50 20 CBGD CS(=O)(=O)[C@H]1CCCC(=NNC(=O)CCO)C1 1320948354 BUAPBYJONXPHAV-VIFPVBQESA-N 262.331 -0.172 50 20 CBGD CCNC(=O)c1cccc(NC(=O)C(=O)NNC(C)=O)c1 1323939927 CLMIELGQCSTHNW-UHFFFAOYSA-N 292.295 -0.458 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCc2ccc(O)nc2)cn1 1326658298 ZTDSJEQCZJMUMN-UHFFFAOYSA-N 289.295 -0.086 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NOCc2cccnc2)N1 1331295761 GZPBBAVWAHPRQV-VIFPVBQESA-N 293.283 -0.878 50 20 CBGD O=C(NNC(=O)C12CCCN1CCC2)c1cccnn1 1333679895 NKKKGAPTLGBAOZ-UHFFFAOYSA-N 275.312 -0.134 50 20 CBGD C[C@H](CO)N(C)NC(=O)Cn1c(=O)oc2ccccc21 1336010923 MCJMLRCNBFGFIZ-SECBINFHSA-N 279.296 -0.062 50 20 CBGD Cc1cc(COCC(=O)NN(C)[C@H](C)CO)no1 1339051017 VNIIWJOUSYHBBL-MRVPVSSYSA-N 257.290 -0.157 50 20 CBGD CCOC(=O)C[C@@H](C)CNC(=O)NNC(=O)C(=O)OC 1341243106 FXNDMLCKACFLIE-SSDOTTSWSA-N 289.288 -0.921 50 20 CBGD CC1=NO[C@](C)(C(=O)NNC(=O)N2CCN(C)CC2)C1 1347070020 TWFPZPSITQWBEX-LBPRGKRZSA-N 283.332 -0.471 50 20 CBGD Cc1cc(CC(=O)NNC(=O)[C@]2(C)CCNC2)n[nH]1 1574134055 IGXVWILROFBLIH-GFCCVEGCSA-N 265.317 -0.592 50 20 CBGD NC[C@H](NC(=O)NNC(=O)c1cccnn1)C1CC1 1580222334 QTZKSOLTVIWVPO-VIFPVBQESA-N 264.289 -0.842 50 20 CBGD CC(C)C(=O)NNC(=O)CN(C1CC1)[C@H](C)C(=O)O 1588799352 FARKGDBBTVSMEL-MRVPVSSYSA-N 271.317 -0.273 50 20 CBGD O=C(O)CN1CCCC[C@@H](NS(=O)(=O)CCl)C1=O 1595097224 YSMCRRXKMMHXTE-SSDOTTSWSA-N 298.748 -0.432 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)N2C[C@H](O)C[C@H]2C(=O)O)cn1 1600945532 HLUVCGVYTOZULB-AFCUIJBSSA-N 290.279 -0.627 50 20 CBGD O=C(NC[C@@H]1CNCCO1)NNc1cccc(C(=O)O)c1 1601488327 OYPYELHYJLSEEX-NSHDSACASA-N 294.311 -0.001 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)C1(C(=O)O)CC1 1608477853 OHDMXIQVHJPNON-UHFFFAOYSA-N 264.241 -0.479 50 20 CBGD Cn1nnc(C=NNC(=O)c2ccc(C(=O)O)cc2)n1 1776100719 WVQBKMAMSLKOSR-UHFFFAOYSA-N 274.240 -0.328 50 20 CBGD CC(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 28779403 MRXSAEMRZTVUNB-UHFFFAOYSA-N 285.325 -0.282 50 20 CBGD CCCNC(=O)CCCC(=O)NNC(=O)c1cnn(C)c1 117820142 KAVGOLPNVWRULF-UHFFFAOYSA-N 295.343 -0.122 50 20 CBGD O=C(CN1C(=O)CNC1=O)NNc1cccc(F)c1 154627057 GJOVSMNGBBBODE-UHFFFAOYSA-N 266.232 -0.179 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)c2cccnc2)C1 173602497 OCMJBIDIBCCYTJ-SNVBAGLBSA-N 264.285 -0.827 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H]1CCCN(C(C)=O)C1 272719773 ZTLAZTXRMGNZFI-JTQLQIEISA-N 270.333 -0.063 50 20 CBGD CCc1[nH]nc(C(=O)NNC(=O)C(C)(C)O)c1[N+](=O)[O-] 277969150 NEEIGZQOVUKWHF-UHFFFAOYSA-N 285.260 -0.588 50 20 CBGD O=C(CN1CCOCC1)NNc1ncncc1F 294044441 OUDNYLJIZAEVSW-UHFFFAOYSA-N 255.253 -0.609 50 20 CBGD CN(C)[C@H](C(=O)NNC(=O)CC1CC1)c1cncn1C 294178018 ODSRCPHHXRWBSB-LBPRGKRZSA-N 279.344 -0.030 50 20 CBGD CCc1nc(CNC(=O)NNc2nccc(OC)n2)n[nH]1 297178480 AQWALUNVYPIVBG-UHFFFAOYSA-N 292.303 -0.008 50 20 CBGD COC(=O)NC(C)(C)C(=O)NNC(=O)c1c[nH]nc1C 491343076 VVWQUXJEBIWKIC-UHFFFAOYSA-N 283.288 -0.386 50 20 CBGD CN(C)C(=O)C1(C(=O)Nc2cccc(B(O)O)c2)CC1 584912480 GERGZLLZUZQKJO-UHFFFAOYSA-N 276.101 -0.827 50 20 CBGD CN(C[C@H]1CCOC1)C(=O)c1ccc(B(O)O)c(F)c1 584960475 LRVFAOVQKXENRE-SECBINFHSA-N 281.092 -0.386 50 20 CBGD COC[C@@](C)(CCO)NC(=O)c1ccc(B(O)O)c(F)c1 584970627 DOXSHLNEAMQLPU-CYBMUJFWSA-N 299.107 -0.977 50 20 CBGD C[C@H]1[C@@H](C)N(C(=O)c2ccc(B(O)O)cc2)CC[S@]1=O 584985423 MCBRQISQSYPUKT-ZJNREGCTSA-N 295.169 -0.652 50 20 CBGD CC(C)C[C@@H](O)CNCc1ccc(B(O)O)cc1 585025608 YJRWZGKSLQUHPV-CYBMUJFWSA-N 251.135 -0.137 50 20 CBGD CC[C@@H](C)NC(=O)[C@@H](C)NCc1cccc(B(O)O)c1 585033149 YRPUQRAUPMXAEH-GHMZBOCLSA-N 278.161 -0.241 50 20 CBGD CC(C)c1n[nH]c(CNCc2ccccc2B(O)O)n1 585042713 CGSORSUPTLTCGL-UHFFFAOYSA-N 274.133 -0.102 50 20 CBGD CC[C@H](NCc1ccc(B(O)O)o1)[C@@H](O)C(F)F 585044069 YFJCQYQCQPIFFF-IONNQARKSA-N 263.049 -0.546 50 20 CBGD Cc1c(C(=O)NCB(O)O)c(=O)oc2ccccc12 585057229 PVCNGZLJHRMDAU-UHFFFAOYSA-N 261.042 -0.157 50 20 CBGD C[C@H](CC(=O)NCB(O)O)NC(=O)c1ccccc1 585057546 GYXJJGIDMLHQLW-SECBINFHSA-N 264.090 -0.677 50 20 CBGD O=C(NNC(=S)NC1CCOCC1)N1CCOCC1 727783560 PVCZNXDEWGEVMC-UHFFFAOYSA-N 288.373 -0.414 50 20 CBGD O=C(NNC(=O)[C@@H]1C[C@H]1C(=O)O)c1ccc2c(c1)OCO2 739453230 DKDOJAOBELNWEL-HTQZYQBOSA-N 292.247 -0.103 50 20 CBGD O=C(NNC(=O)c1ccc(C(=O)O)s1)c1cnn[nH]1 739453501 JXSUZLRMBAYBEO-UHFFFAOYSA-N 281.253 -0.361 50 20 CBGD CNS(=O)(=O)CC(=O)NNc1ccc(F)cc1F 748288593 JJLJIDJHCGJLLS-UHFFFAOYSA-N 279.268 -0.043 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1ccc(C#N)cc1 749838525 QZIVJNHKEQVSLG-UHFFFAOYSA-N 288.307 -0.227 50 20 CBGD O=C(CO)NNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 753438843 JNYSEPVRHVNZFR-UHFFFAOYSA-N 297.223 -0.881 50 20 CBGD C[C@@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)CO 753443288 YOTHYIICIBOHIA-RKDXNWHRSA-N 260.290 -0.900 50 20 CBGD CC(=O)NNC(=O)Nc1ccnc(C(=O)N(C)C)c1 753936176 VBZKBCSMTFOJFG-UHFFFAOYSA-N 265.273 -0.044 50 20 CBGD COC[C@@](C)(O)C(=O)NNc1ccc(C(=O)OC)cn1 759740767 XKNRGPIXXUORMZ-GFCCVEGCSA-N 283.284 -0.291 50 20 CBGD CN1C[C@@H](C(=O)NNc2ncc(F)cn2)CC1=O 760915128 WCTOUMQBZKKBGV-LURJTMIESA-N 253.237 -0.463 50 20 CBGD COc1cc(C(=O)NNC(=O)N2CCOCC2)on1 764023881 GBNQPLFCOMUQFZ-UHFFFAOYSA-N 270.245 -0.630 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCOCC1 770722023 ZHRFVYVKJSYVES-IUCAKERBSA-N 257.290 -0.516 50 20 CBGD CO[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)C(=O)NC1CC1 775457967 JXQRGTUKZCYXDG-WCBMZHEXSA-N 298.343 -0.590 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)CC(F)(F)F)C1=O 776120086 RYULADBUJAPMKL-YFKPBYRVSA-N 267.207 -0.436 50 20 CBGD CCOCCC=NNC(=O)[C@@H]1CCS(=O)(=O)C1 788422329 PRSYIFBYHFJXRG-SECBINFHSA-N 262.331 -0.050 50 20 CBGD CNc1nc(C)cc(C(=O)NNC(=O)Cc2cc[nH]n2)n1 806809087 VRMVQYYZVGJCPA-UHFFFAOYSA-N 289.299 -0.446 50 20 CBGD COCCC(C)=NNC(=O)[C@@H](C)NS(C)(=O)=O 814834936 BVKUPRGEXQAWEA-MRVPVSSYSA-N 265.335 -0.547 50 20 CBGD C#C[C@H](C)NC(=O)NNC(=O)Cn1nc(C)cc1C 820440150 GVLGGKYALFIVHL-QMMMGPOBSA-N 263.301 -0.148 50 20 CBGD O=C(Cc1cccc(-c2nn[nH]n2)c1)NNC(=O)C1CC1 823103288 CZEMSMUMTFHXIF-UHFFFAOYSA-N 286.295 -0.033 50 20 CBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)NCC1CC1 823804694 SMMIAQKZQSVTQN-SSDOTTSWSA-N 292.361 -0.945 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCc1cnn(C)c1 825721144 JYXTUFZWIBPGNV-ONGXEEELSA-N 295.343 -0.282 50 20 CBGD Cc1cc(NNC(=O)[C@@H](C)N2CCN(C)CC2)nc(N)n1 828367511 RDTZMKSWZRNHEJ-SNVBAGLBSA-N 293.375 -0.554 50 20 CBGD COC(=O)NNS(=O)(=O)C[C@H](OC)C(C)C 842573853 PHLMPURYFSHQDW-ZETCQYMHSA-N 254.308 -0.152 50 20 CBGD CCNC(=O)CCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843976862 ZMGUCDSQAVCGMT-RKDXNWHRSA-N 271.317 -0.525 50 20 CBGD Cc1nonc1CC(=O)NNC(=O)Cc1cccnc1 845437682 FGWSXITVZMUWDT-UHFFFAOYSA-N 275.268 -0.294 50 20 CBGD O=C(NCC(Cl)Cl)C1=NN2CCCN=C2N1 854450758 INAUYCQAURNRNY-UHFFFAOYSA-N 264.116 -0.115 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H]1CCCC12OCCO2 854921741 YZRFNXRORDVRGS-QMMMGPOBSA-N 273.358 -0.003 50 20 CBGD O=C(NNC(=O)c1cc2n(n1)CCC2)c1cc[nH]n1 855356254 NXLJLBQPIWUEIS-UHFFFAOYSA-N 260.257 -0.373 50 20 CBGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)c2cc[nH]n2)c1C 855357627 NIAIUBZRXWRFMQ-UHFFFAOYSA-N 290.283 -0.805 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C 858168156 NZSZQZWOYGQXDA-KATARQTJSA-N 285.344 -0.282 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 858282315 XDUYCRQVYOEEBO-CBAPKCEASA-N 268.317 -0.359 50 20 CBGD CCCN(CC)CCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858286673 FXFKJCQPIVSRPI-JTQLQIEISA-N 299.375 -0.673 50 20 CBGD CCC[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 858698327 ZBRGFKRFMLHZDF-NXEZZACHSA-N 298.343 -0.493 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2cncc(F)c2)N1 861055604 MTTWCSNHUDSUAS-MRVPVSSYSA-N 281.247 -0.348 50 20 CBGD O=C(Cc1ccc(F)cc1F)NNC(=O)[C@@H]1CCC(=O)N1 862454825 BMXWPQMBCGWZFT-JTQLQIEISA-N 297.261 -0.067 50 20 CBGD CC(=O)CC(C)(C)CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862458393 FFZCFATYWPQJDX-VIFPVBQESA-N 283.328 -0.192 50 20 CBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)c1cn[nH]c1 862471708 LCSWGAWQLRUXKV-JTQLQIEISA-N 261.285 -0.732 50 20 CBGD CCC[C@@H](CC)S(=O)(=O)NNC(=O)[C@@H]1CCC(=O)N1 863413696 XHFRVBYSAVZZAM-BDAKNGLRSA-N 291.373 -0.206 50 20 CBGD CC[C@H](C)[C@H](OC)C(=O)NNC(=O)CS(C)(=O)=O 863465995 KNPBMVHUTKKHSN-CBAPKCEASA-N 280.346 -0.761 50 20 CBGD C=C/C=C\CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 883737635 FZTCWPRPIICDJO-ZBJFTSOASA-N 266.301 -0.272 50 20 CBGD CCn1cc(C=NNC(=O)C(=O)NC2CC2)c(C)n1 901157987 BUQJEDYTWXKBNE-UHFFFAOYSA-N 263.301 -0.060 50 20 CBGD CC[C@H](C(=O)NN(C)C[C@@H](C)O)N1CCCC1=O 910161986 BYZMOAMGERXCKW-NXEZZACHSA-N 257.334 -0.269 50 20 CBGD CC(C)C(=O)NNC(=O)NCC(=O)NCC(F)(F)F 918235148 MLYWONOXFFAACZ-UHFFFAOYSA-N 284.238 -0.349 50 20 CBGD C#CC1(O)CN(CC(=O)NNC(=O)c2cccc(C)c2)C1 934447699 FYDKVBQGGNLNRP-UHFFFAOYSA-N 287.319 -0.564 50 20 CBGD C[C@H](C(=O)NNC(=O)NCC(F)(F)F)S(C)(=O)=O 1116896464 PIUBGNMNZVDXFW-SCSAIBSYSA-N 291.251 -0.688 50 20 CBGD COc1nccnc1NNC(=O)c1ccc[n+]([O-])c1 1261364299 FIRNVJJSOYZMKD-UHFFFAOYSA-N 261.241 -0.125 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1cnc[nH]1 1261499944 ZDWBKGHFADKEKB-WCBMZHEXSA-N 266.301 -0.085 50 20 CBGD Cn1ccnc(NNC(=O)CCCn2cccn2)c1=O 1318908384 AWGWYRGRGYKKSI-UHFFFAOYSA-N 276.300 -0.100 50 20 CBGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccncc1 1319320532 LEGXFJVXQQTHMU-VIFPVBQESA-N 277.284 -0.614 50 20 CBGD CCNC(=O)NNC(=O)c1cc(CN(C)C)on1 1320839633 NLVKETXYYGDLFB-UHFFFAOYSA-N 255.278 -0.300 50 20 CBGD O=C(CN1C(=O)CNC1=O)NNc1ccc(Cl)nn1 1321937129 JIPPGBPEWIJQBS-UHFFFAOYSA-N 284.663 -0.875 50 20 CBGD COC(=O)C(=O)NN=C(C)c1ccc(-n2cnnn2)cc1 1323496936 SCMQTSOEVKCVEC-UHFFFAOYSA-N 288.267 -0.325 50 20 CBGD COC(=O)C(=O)NNC(=S)NCCSC 1324367879 LQVRWSZBNPHRCJ-UHFFFAOYSA-N 251.333 -0.982 50 20 CBGD CN(NC(=O)CCC[C@]1(C)NC(=O)NC1=O)C1CC1 1326617952 SJDPAZBVRRSISJ-LBPRGKRZSA-N 268.317 -0.120 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@H](C)n1ccnc1 1326739946 RLAZBVHYUWJQES-VIFPVBQESA-N 281.316 -0.494 50 20 CBGD Cn1c(C=O)ccc1C(=O)N1CC[C@@H](B(O)O)C1 1329915754 GUKJUQJBFDZIJS-MRVPVSSYSA-N 250.063 -0.474 50 20 CBGD O=C(Cc1ccccc1)NNC(=O)[C@@H]1CCC(=O)N1 1331819409 RHNYFIBAMGWCJV-JTQLQIEISA-N 261.281 -0.345 50 20 CBGD CC(=O)NCCN(C)C(=O)NNC(=O)Cc1cccnc1 1349062127 ZXKIJZRXRNNGHI-UHFFFAOYSA-N 293.327 -0.567 50 20 CBGD CN(C)CCCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 1351626663 AEMVOMTYJXVDFG-SECBINFHSA-N 270.333 -0.856 50 20 CBGD Nc1ncccc1C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1 1549318616 QAKXTMNXUNVWSS-RYUDHWBXSA-N 289.339 -0.023 50 20 CBGD CN1C[C@@H](C(=O)NNc2ncccc2C(=O)O)NC1=O 1574023111 SUGXYLGRFJKHMT-ZETCQYMHSA-N 279.256 -0.754 50 20 CBGD COC(=O)CC[C@@H](N)C(=O)NNc1ncncc1F 1578810009 VEXPPPFJVAKENM-SSDOTTSWSA-N 271.252 -0.661 50 20 CBGD COC[C@@]1(C(=O)NNC(=O)c2cccn2C)CCCCN1 1578976935 ONEKDEJSINBBBI-CQSZACIVSA-N 294.355 -0.055 50 20 CBGD COc1ccnc(NNC(=O)[C@]23CC[C@H]2CNC3)n1 1579317387 SJMCHIQNEBXFQR-UFBFGSQYSA-N 263.301 -0.072 50 20 CBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@]12CNC[C@@H]1C2 1580576107 FEGWUIVXLFUDBW-ZUZCIYMTSA-N 299.334 -0.366 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccc(-c2nn[nH]n2)s1 1590001025 UJVUEDLERFJCFW-ZCFIWIBFSA-N 282.329 -0.114 50 20 CBGD CC(C)n1cc([C@@H](C)NC(=O)NNC(=O)C(=O)O)cn1 1593101409 FRLCAPYKNNHRJL-SSDOTTSWSA-N 283.288 -0.060 50 20 CBGD O=C(O)CC(=O)NNC(=O)Cc1ccccc1F 1601888348 YTPDZCYHYLBPFN-UHFFFAOYSA-N 254.217 -0.010 50 20 CBGD O=C(O)[C@@H]1CC[C@H](C(=O)NNc2nc3ccccn3n2)O1 1602177155 ROGFUGLXLRWFSV-SFYZADRCSA-N 291.267 -0.195 50 20 CBGD Cc1nnc(NNC(=O)[C@H]2CC[C@H]2C(=O)O)nc1O 1608018454 GPPBXAOAQFLUMO-NTSWFWBYSA-N 267.245 -0.560 50 20 CBGD O=C(Cn1nnc2ccccc2c1=O)NNc1ncccn1 44716631 RBPAPTDPCVATGW-UHFFFAOYSA-N 297.278 -0.275 50 20 CBGD O=C(NCCc1nccs1)NNC(=O)C(=O)NC1CC1 51756953 WNGZXYGMXMYGNI-UHFFFAOYSA-N 297.340 -0.705 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cccc2c1OCCO2 265039159 HTZCLEDIUXLTGR-UHFFFAOYSA-N 279.296 -0.220 50 20 CBGD Cc1ccc(C(=O)NNS(=O)(=O)N(C)C)c(O)c1 266031285 MJHQELZFSMNPAX-UHFFFAOYSA-N 273.314 -0.259 50 20 CBGD C=CCNC(=S)NNC(=O)C1(C(=O)OC)CC1 281405936 YXIVALHBFFNCBG-UHFFFAOYSA-N 257.315 -0.379 50 20 CBGD COC(=O)N(C)NC(=O)CNC(=O)COc1ccccc1 286471796 UOTNEDUVKQYAED-UHFFFAOYSA-N 295.295 -0.089 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)NC2CC2)C1 363296535 AIYABVJAXZTPEM-VIFPVBQESA-N 256.306 -0.800 50 20 CBGD CCc1nc(NC(=O)c2cc(B(O)O)ccc2F)nn1C 585002626 BDBJNOJDFDSXSS-UHFFFAOYSA-N 292.079 -0.551 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2[C@@H]3COC[C@H]3[C@H]2C1 585010145 LELYFZIUOWOTPV-XUXIUFHCSA-N 287.124 -0.669 50 20 CBGD OB(O)c1ccc(CNCCCn2cccn2)cc1 585018645 ZJYULNMRGPAGCA-UHFFFAOYSA-N 259.118 -0.257 50 20 CBGD CCC(=O)N1CC[C@@H](NCc2ccc(B(O)O)o2)C1 585031309 UBWGBXPSTSRKQZ-SECBINFHSA-N 266.106 -0.940 50 20 CBGD CN(C)C(=O)Cc1nc(-c2cccc(B(O)O)c2)no1 585053704 PAPPQRFYAXHBTH-UHFFFAOYSA-N 275.073 -0.953 50 20 CBGD CN(C)c1ncc(C(=O)NCB(O)O)cc1Cl 585062379 HOMCYBKPZNFQOK-UHFFFAOYSA-N 257.486 -0.457 50 20 CBGD CC(=O)N(CCC(=O)NCB(O)O)Cc1ccccc1 585062462 SKUWXRZAAZFBCM-UHFFFAOYSA-N 278.117 -0.447 50 20 CBGD O=C(c1cnn(-c2ccccc2)n1)N1CC[C@H](B(O)O)C1 585075088 PSWJCVYRAHQFOM-JTQLQIEISA-N 286.100 -0.044 50 20 CBGD CNC(=O)NNC(=O)Cc1c(C)nc2cc(O)nn2c1C 731434332 BUIBILFYMUIBAN-UHFFFAOYSA-N 292.299 -0.446 50 20 CBGD CCN1CCN(CCC(=O)NNC(=O)C2CCC2)CC1 732293083 XSFPVTGEVGRKOI-UHFFFAOYSA-N 282.388 -0.039 50 20 CBGD O=C(Cc1cc(O)nc(S)n1)NNC1=N[C@H]2C=C[C@H]1C2 739413237 NBGALQXIFSGPQA-BQBZGAKWSA-N 291.336 -0.009 50 20 CBGD COC[C@H](NC(=O)NNC(=O)c1cnn(C)c1)C1CC1 749887511 WILSYJKADPCKLM-JTQLQIEISA-N 281.316 -0.211 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)C[C@@H]1CCC[C@H]1O 755058005 BBWOGIXQZKYINB-WDEREUQCSA-N 269.345 -0.363 50 20 CBGD COC(=O)c1csc(NC(=O)NNC(=O)CO)c1 757681062 XIMHEMYYCQIYQL-UHFFFAOYSA-N 273.270 -0.320 50 20 CBGD O=C(NNC(=O)c1ccccn1)c1ccc2nnnn2c1 758149621 ZUDJEWINYREDIE-UHFFFAOYSA-N 283.251 -0.406 50 20 CBGD O=C(CO)NNC(=O)c1ccnc(O[C@@H]2CCOC2)c1 758543821 RZZMXZQFGYAXTB-SECBINFHSA-N 281.268 -0.997 50 20 CBGD CN(C)C(=O)NNC(=O)C(F)(F)C1(O)CCC1 767351128 UCMUTHFNHLLEDH-UHFFFAOYSA-N 251.233 -0.161 50 20 CBGD CN(N=Cc1ccc(OCC(N)=O)cc1)C(N)=O 767909919 WKHSZPRRUDDVLW-UHFFFAOYSA-N 250.258 -0.105 50 20 CBGD CCc1nc(C(=O)NNC(=O)Cc2cc[nH]n2)co1 772866631 JQLXTCDSBOYSNB-UHFFFAOYSA-N 263.257 -0.036 50 20 CBGD COC(=O)c1ccc(S(=O)(=O)NNC(C)=O)cc1F 773250783 UPCNLYPWAZMFRY-UHFFFAOYSA-N 290.272 -0.058 50 20 CBGD C[C@H]1CN(C)CC1=NNC(=O)N1CCN(C)CC1 790181019 GRVYUOODQQFHQK-JTQLQIEISA-N 253.350 -0.119 50 20 CBGD CC[C@H](C)N(CCO)CC(=O)NNC(=O)C1CC1 805789320 AUJFFJJNGLUDCL-VIFPVBQESA-N 257.334 -0.363 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)C[C@H](C)COC 809832117 LTOPMNAODVKYIH-MRVPVSSYSA-N 267.351 -0.235 50 20 CBGD CCO/C=C(/C#N)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)O 820377840 LHFNTVSKWSNLOI-LZUGORFDSA-N 297.311 -0.132 50 20 CBGD CCN(CCO)NC(=O)Cn1c(C)c(C)sc1=O 823852298 CGWICWCXRJAASL-UHFFFAOYSA-N 273.358 -0.128 50 20 CBGD CS(=O)(=O)CC(=O)NNc1ccc(-c2nn[nH]n2)cc1 826222018 DUSKWJFGXXVRJU-UHFFFAOYSA-N 296.312 -0.646 50 20 CBGD CC(C)NC(=O)C(=O)NN=Cc1ccc(C(=O)O)[nH]1 826971190 HDIFCGLEMYNLLQ-UHFFFAOYSA-N 266.257 -0.312 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ccn(C)n1 843661328 NNVDPQLYZUIDQY-GXSJLCMTSA-N 280.328 -0.075 50 20 CBGD COCCN(C)NC(=O)[C@@H]1CCCN1C(=O)C1CC1 843882530 PVGNXCLZOSMYKE-NSHDSACASA-N 269.345 -0.003 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CC[C@@H](N2CCOC2=O)C1 852439389 CNICDEJCLGFEMD-SNVBAGLBSA-N 298.343 -0.684 50 20 CBGD C#CCCN(CCOC)CC(=O)NNC(=O)C1CC1 852750921 JJLVLZRPDGVWDL-UHFFFAOYSA-N 267.329 -0.485 50 20 CBGD Cn1ccnc1[C@@H]1OCCC[C@H]1C=NNC(=O)CO 853329915 RQCWKZOJBKLFHK-GXSJLCMTSA-N 266.301 -0.018 50 20 CBGD CC(C)(C)[C@@H](NC(N)=O)C(=O)NNC(=O)c1cc[nH]n1 855355655 CTHOALXWGZXGKT-ZETCQYMHSA-N 282.304 -0.746 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]21 857109552 MLNIMPFRBPUTON-AXFHLTTASA-N 296.371 -0.610 50 20 CBGD COC(=O)C[C@@H](C)CC(=O)NNc1cnnn1C 857271068 ZBXBWZRJXLBWBD-ZETCQYMHSA-N 255.278 -0.153 50 20 CBGD CC[C@H]1CCCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 858695312 FGEGCAWXRAFONA-DTWKUNHWSA-N 268.317 -0.120 50 20 CBGD CC(=O)[C@@H]1C[C@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1(C)C 862458241 BDALKZPTGDMNKZ-IVZWLZJFSA-N 295.339 -0.336 50 20 CBGD Cn1cc(C(=O)CCC(=O)NNC(=O)c2cn[nH]c2)cn1 862470856 WOSFRDWBMWUDFX-UHFFFAOYSA-N 290.283 -0.433 50 20 CBGD CC[C@]1(C(=O)NNC(=O)CC2CC2)CCNC1=O 868591000 SRKSLXSMPBQIJG-LBPRGKRZSA-N 253.302 -0.150 50 20 CBGD Cc1cccnc1NNC(=O)[C@H]1OCCN(C)C1=O 907699018 WFODIMNIOMALFZ-SECBINFHSA-N 264.285 -0.310 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1nc2ncccn2n1 910141241 RBFSLFCIRXIBEC-SSDOTTSWSA-N 250.262 -0.918 50 20 CBGD Cc1cnn(C)c1C=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1117127519 JXNTVQCUHYHSGB-SECBINFHSA-N 284.341 -0.387 50 20 CBGD CN(CC(=O)NNC(=O)C(C)(C)C)Cc1nncn1C 1117355318 VNIBVYKMWGVBCW-UHFFFAOYSA-N 282.348 -0.560 50 20 CBGD Cc1ncc2n1CC[C@H](C(=O)NNC(=O)CN(C)C)C2 1117676325 ZMKHRGHLMFNXOI-JTQLQIEISA-N 279.344 -0.537 50 20 CBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)CC(F)(F)F 1118772790 ADTVNPAHHQDXLG-UHNVWZDZSA-N 267.207 -0.402 50 20 CBGD C[C@H](Sc1nncn1C)C(=O)NNC(=O)N(C)C 1318075481 DQBTWJVDKDYEGK-LURJTMIESA-N 272.334 -0.402 50 20 CBGD COCCOCC(C)=NNC(=O)[C@H]1CCS(=O)(=O)C1 1318799508 GGCNDTHQAJWGQA-JTQLQIEISA-N 292.357 -0.424 50 20 CBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1nccn1C 1319066587 FDMAHPWXOAMVIE-SECBINFHSA-N 299.331 -0.698 50 20 CBGD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NNC(C)=O 1321141118 VWYGIFIPPNOMFH-UHFFFAOYSA-N 296.239 -0.291 50 20 CBGD C#CCCCC(=O)NNC(=O)C(=O)Nc1ccccn1 1321919174 OWXBMBONCRCZGV-UHFFFAOYSA-N 274.280 -0.029 50 20 CBGD COc1cc(CCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)on1 1329172773 ODLHFJQJVWBUPZ-QMMMGPOBSA-N 296.283 -0.958 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1CCC(F)(F)C1 1331736677 NZCZKGGSYOEOBU-ZCFIWIBFSA-N 284.284 -0.386 50 20 CBGD CC(C)(C)NCC(=O)NNC(=O)C(=O)N1CCCC1 1338412119 MUWQXWZIIFGASQ-UHFFFAOYSA-N 270.333 -0.856 50 20 CBGD O=C(CO)NN=Cc1cn(Cc2cccnc2)nn1 1342195162 NWQSEZPTKNEWPS-UHFFFAOYSA-N 260.257 -0.836 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@@]2(F)CCOC2)nn1 1342445240 LXTCVNSKPWKZLQ-SNVBAGLBSA-N 269.236 -0.853 50 20 CBGD N#CC1=CCN(C(=O)CCCS(N)(=O)=O)CC1 1446271803 IRVPGQKNPZHFOK-UHFFFAOYSA-N 257.315 -0.263 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1NCC[C@H]2CCCC[C@H]21 1578413458 PBNREQPWTZCNGV-NQBHXWOUSA-N 282.388 -0.136 50 20 CBGD CN(C)c1cccc(C(=O)NNC(=O)NCCCON)c1 1578426704 CNOPXOSCZWBHRA-UHFFFAOYSA-N 295.343 -0.023 50 20 CBGD Cn1ncc(N)c1C(=O)NNC(=O)c1cccnc1 1580005110 YBEOAQMTANCDIM-UHFFFAOYSA-N 260.257 -0.528 50 20 CBGD O=C(NNC(=O)[C@H]1CCN1)c1cc(-c2ccccn2)no1 1580732713 HEVCIOIWYLFVEY-SECBINFHSA-N 287.279 -0.141 50 20 CBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)o1)NC1CC1 1593158249 KVTXGAUSATXHSH-UHFFFAOYSA-N 277.244 -0.434 50 20 CBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)c1ccc(=O)n(C)c1 1594228304 YSKWKVMQJKPKTQ-UHLUBPPHSA-N 293.279 -0.743 50 20 CBGD O=C(CN1CCC[C@H](C(=O)O)C1=O)NNc1cccnn1 1601313608 VLMYSYROQKBOEC-QMMMGPOBSA-N 293.283 -0.757 50 20 CBGD O=C(NC[C@H]1CCO[C@H]1C(=O)O)NNC(=O)c1ccc[nH]1 1601525428 OMGXKMWHONTNNB-VXNVDRBHSA-N 296.283 -0.552 50 20 CBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)c1ccncc1 1604878568 QKIYKOROOBIAEG-MRVPVSSYSA-N 251.242 -0.047 50 20 CBGD COC(=O)C[C@@H](NS(=O)(=O)CCCCl)C(=O)O 1606441897 DYHASLWXFOQKCK-ZCFIWIBFSA-N 287.721 -0.449 50 20 CBGD O=C(NN=Cc1cc(C(=O)O)no1)C(=O)N1CCCC1 1608477238 GWHLJEXTRHYBQO-UHFFFAOYSA-N 280.240 -0.555 50 20 CBGD O=C(O)Cc1occc1C(=O)NNC(=O)c1cnsn1 1608794061 DZUXFBHTQDAGSC-UHFFFAOYSA-N 296.264 -0.167 50 20 CBGD C[C@H](CC=NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)O 1609738138 TULANIVYJLVASD-HTQZYQBOSA-N 276.314 -0.366 50 20 CBGD Cn1cc(S(=O)(=O)NNC(=O)c2cccn2C)cn1 47992321 SDWCLZVMSIQKOY-UHFFFAOYSA-N 283.313 -0.618 50 20 CBGD COCCCNC(=O)NNC(=O)c1cc(C)no1 49167439 YUYYLQZXWOZULP-UHFFFAOYSA-N 256.262 -0.036 50 20 CBGD O=C(NNC(=O)C(C1CC1)C1CC1)C(=O)NC1CC1 122927181 ATLAAMMXXZIBOS-UHFFFAOYSA-N 265.313 -0.151 50 20 CBGD O=S(=O)(CCCCl)NCCn1ccnn1 163929149 BSKLDYLWAQWOKS-UHFFFAOYSA-N 252.727 -0.174 50 20 CBGD CS(=O)(=O)NCCNC(=O)NNc1ncccc1F 286669685 RVUGKKLVYZULMV-UHFFFAOYSA-N 291.308 -0.604 50 20 CBGD O=C(NNC(=O)[C@@H]1CCCO1)c1ccc2nc[nH]c2n1 294042070 OQMPCAXDVRYARX-VIFPVBQESA-N 275.268 -0.102 50 20 CBGD COc1nccnc1NNC(=O)[C@H]1C[C@@]12CCOC2 364086856 POURNQZNSCFGQI-PRHODGIISA-N 264.285 0.355 50 20 CBGD CCOC(=O)NNC(=O)c1cnc2c(c1)nnn2C 495085341 HVLLJZAIVVEJPV-UHFFFAOYSA-N 264.245 -0.246 50 20 CBGD COC(=O)NNC(=O)CC1(CS(C)(=O)=O)CC1 496527819 YBYOTDXUKVFDCT-UHFFFAOYSA-N 264.303 -0.412 50 20 CBGD CN(C)C[C@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584971988 JYADPSGYRBBYQR-SNVBAGLBSA-N 294.135 -0.471 50 20 CBGD CC1(C)CN(C(=O)c2cccc(B(O)O)c2)[C@@H]2COC[C@@H]21 584999055 IGYIYUYDXXBNAC-QWHCGFSZSA-N 289.140 -0.137 50 20 CBGD C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 585000082 XBUQGSCNAWZCFK-NEPJUHHUSA-N 279.076 -0.421 50 20 CBGD C[C@@H]1NC(=O)CC[C@H]1CNC(=O)c1ccc(B(O)O)cc1 585002496 XBMAEBIZGSICGX-ONGXEEELSA-N 290.128 -0.989 50 20 CBGD C[C@@H](CO)[C@@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 585006988 RZFMAMBWLKVAJT-FZMZJTMJSA-N 291.156 -0.011 50 20 CBGD OB(O)c1cccc(CNCCCN2CCOCC2)c1 585013901 BGIUNFFWWQBWGG-UHFFFAOYSA-N 278.161 -0.822 50 20 CBGD C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCB(O)O 585056226 RNUNNBOKRYZIOK-XCBNKYQSSA-N 251.047 -0.657 50 20 CBGD O=C(NCB(O)O)[C@@H]1CCN(c2ccc(F)cc2)C1=O 585062668 VMCJXUSZMYYCIO-JTQLQIEISA-N 280.064 -0.693 50 20 CBGD COCC(C)=NNC(=O)[C@@H](C)NS(C)(=O)=O 728434854 RAMXQOMUTPFWGJ-SSDOTTSWSA-N 251.308 -0.937 50 20 CBGD COc1ncnc(OC)c1C(=O)NNC(=O)NCC1CC1 732063128 MLLFSRVXWUZJFP-UHFFFAOYSA-N 295.299 -0.152 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1ccncc1)N1CCN(C)CC1 732913136 VIWAFKXVDRCSSM-NSHDSACASA-N 291.355 -0.522 50 20 CBGD C[C@@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)CN(C)C 733361162 RTVQAKOLZSHGIZ-ZJUUUORDSA-N 273.333 -0.721 50 20 CBGD O=C(Cn1ccccc1=O)NNC(=O)c1ncccn1 743291635 PEDDBDXUISTGIL-UHFFFAOYSA-N 273.252 -0.901 50 20 CBGD COCc1cc(C(=O)NNC(=O)CN(C)C)no1 743332353 ASWZGTHDXSNHRC-UHFFFAOYSA-N 256.262 -0.856 50 20 CBGD CC(C)C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 755620684 ZYWPQYRWWPERIB-UHFFFAOYSA-N 299.356 -0.671 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(O)c(F)c1 767294673 WDJOJRHNEXSAGP-UHFFFAOYSA-N 283.259 -0.183 50 20 CBGD C[C@@H](C(=O)NNC(=O)C(C)(C)O)c1cnn(C)c1 768246499 JMQCQCIEWCWPSN-SSDOTTSWSA-N 254.290 -0.558 50 20 CBGD CSCCNC(=S)NNC(=O)c1cn[nH]c1 770240235 OHNLXRTUQCENHT-UHFFFAOYSA-N 259.360 -0.118 50 20 CBGD C[C@@]1(CCC(=O)NNC(=O)C2CC2)CCC(=O)N1 770465505 FFISYOWQESTQKY-LBPRGKRZSA-N 253.302 -0.007 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)Nc1ccncn1 770761969 GFIXHTIXICANGD-UHFFFAOYSA-N 261.245 -0.405 50 20 CBGD COC[C@@H](O)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C 772229933 FCSBNTZQLDTBAP-DTWKUNHWSA-N 290.316 -0.881 50 20 CBGD COC[C@](C)(O)C(=O)NNc1ccc(OC)cn1 781526387 VTQZOTLLTYJMFU-NSHDSACASA-N 255.274 -0.069 50 20 CBGD CN1CCC[C@H]1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 792854543 KMCXIEJPJFNLSX-QWRGUYRKSA-N 289.401 -0.427 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)NCC(F)(F)F)C1 798314675 WKPQYTGJNDYRBZ-ZCFIWIBFSA-N 284.238 -0.790 50 20 CBGD CC(=NNC(=O)C(=O)NC1CC1)c1cn(C)c(C)n1 800809566 SBPJXKRAHYEWSC-UHFFFAOYSA-N 263.301 -0.153 50 20 CBGD COCCOCCN(C)CC(=O)NNC(=O)C1CC1 808791593 FKHCQBCQMXNPSV-UHFFFAOYSA-N 273.333 -0.861 50 20 CBGD Cc1cc(C)c(C(=O)O)cc1C=NNC(=O)C(N)=O 814697025 VCXLNWYIRKRGBW-UHFFFAOYSA-N 263.253 -0.063 50 20 CBGD C[C@](C#N)(CC(=O)O)C(=O)NNC(=O)Cc1cccnc1 819849190 YBQFOLFSPBWLRS-CYBMUJFWSA-N 290.279 -0.224 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)CC 823950346 INFOIRZUDMPLTR-SSDOTTSWSA-N 280.350 -0.945 50 20 CBGD CCN(CC)C(=O)CN(C)CC(=O)NNC(=O)C(C)C 827276557 LPFRDQTYQLLPHA-UHFFFAOYSA-N 286.376 -0.410 50 20 CBGD CO[C@@H]1COC[C@H]1NC(=O)NNc1cccnn1 827479068 VUWMQLNIYCZYRZ-HTQZYQBOSA-N 253.262 -0.484 50 20 CBGD CO[C@@H]1COC[C@H]1NCC(=O)NNC(=O)C(C)(C)C 830103051 PBDXRCSOTFAWRR-RKDXNWHRSA-N 273.333 -0.817 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCC(=O)C1 830897614 SSEMQBOGMXTJLR-YUMQZZPRSA-N 270.285 -0.155 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H](C)CC(=O)O 831697024 WGAUFRZPJIBNAZ-ZETCQYMHSA-N 261.278 -0.536 50 20 CBGD CCOCCNC(=O)NNC(=O)[C@@H]1CCCCO1 836232265 ARDITQQGTWSRAK-VIFPVBQESA-N 259.306 -0.078 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cn1cccn1 843645092 QKWDRFFNGWMLIX-RKDXNWHRSA-N 252.274 -0.545 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1C 843655328 IVGNVFAGCVIHNH-CIUDSAMLSA-N 269.301 -0.820 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](O)c1cnn(C)c1 843971650 RIIUHMNXKDAJHH-FXBDTBDDSA-N 282.300 -0.974 50 20 CBGD C[C@H](CC(=O)NNC(=O)C(=O)N1CCCC1)n1ccnc1 845353800 HFAHZZQXRVBCAD-SNVBAGLBSA-N 293.327 -0.396 50 20 CBGD CCC[C@H](C(=O)NNC(=O)CC1CC1)S(N)(=O)=O 854666622 ZJCBAYSIOYLRFG-MRVPVSSYSA-N 277.346 -0.609 50 20 CBGD O=S(=O)(CBr)NC[C@@H]1COCCN1 858628682 JJXQHFUGLIFCQL-ZCFIWIBFSA-N 273.152 -0.753 50 20 CBGD O=C(C=C1CCCC1)NNC(=O)[C@H]1CCC(=O)N1 862452730 NLDOAOMQMAXPDW-SECBINFHSA-N 251.286 -0.087 50 20 CBGD C[C@H](CC(=O)NNC(=O)CS(C)(=O)=O)c1ccco1 863467333 SUMXJMMXAQTLQO-MRVPVSSYSA-N 288.325 -0.035 50 20 CBGD CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)N1CCOCC1 863505761 QVKXJQSWCHNCHT-SNVBAGLBSA-N 284.360 -0.068 50 20 CBGD CCOC(=O)C1(CNCc2ccccc2B(O)O)CC1 863891628 VXABXGLJWMGCBU-UHFFFAOYSA-N 277.129 -0.201 50 20 CBGD CCCNC(=O)NNC(=O)c1cnn(CCOC)c1 865023892 RMJLEJOSXRPQRO-UHFFFAOYSA-N 269.305 -0.117 50 20 CBGD O=C(N[C@H]1CCN(CC2CC2)C1)c1ccc(B(O)O)cc1 865604793 GCDCBAICMVMBEA-AWEZNQCLSA-N 288.156 -0.420 50 20 CBGD COCCOCC(=O)NNC(=O)c1cnn(CCF)c1 869905822 PLVXKWJHDPLHFB-UHFFFAOYSA-N 288.279 -0.723 50 20 CBGD COCCOCC(=O)NN=Cc1cnc2n1CCC2 872399420 BBZWFUWXUYWIFD-UHFFFAOYSA-N 266.301 -0.058 50 20 CBGD C#CCO[C@@H](C)C(=O)NNC(=O)C1CCOCC1 883071010 MFLJXRWWGVXUFV-VIFPVBQESA-N 254.286 -0.401 50 20 CBGD C[C@H]1COCC1=NNC(=O)CNC(=O)c1cccnc1 884436231 ZNVKUNJJCYZOBX-VIFPVBQESA-N 276.296 -0.050 50 20 CBGD C[C@@]1(C(=O)NCCn2cnnn2)C[C@@H]1Br 906994523 UQMNDELRXWMKJH-POYBYMJQSA-N 274.122 -0.037 50 20 CBGD Cc1nn2cccnc2c1C(=O)NN(C)C[C@@H](C)O 910170416 KQKRDKVDHZDCJD-MRVPVSSYSA-N 263.301 -0.005 50 20 CBGD CC[C@@H]1C[C@@H](C(=O)NNC(=O)CN2CCCC2=O)CCO1 913731989 DAFBKFDIHVWOEC-WDEREUQCSA-N 297.355 -0.039 50 20 CBGD CC(=O)NNC(=O)Nc1cccc(N2C(=O)CNC2=O)c1 920929677 YMRDWZFTYPCOMS-UHFFFAOYSA-N 291.267 -0.085 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCOc1ccc(C)cc1 1319300537 XYRYNTGLDWZFHI-UHFFFAOYSA-N 295.295 -0.123 50 20 CBGD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NNc1ncccn1 1319918281 OUBDZILBOQCIEQ-APPZFPTMSA-N 279.300 -0.805 50 20 CBGD CNC(=O)NNC(=O)c1cnc2c(c1)NC(=O)CS2 1324638223 ZUSYPKQYUHBCTF-UHFFFAOYSA-N 281.297 -0.300 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C1CCN(C2CC2)CC1 1324815490 PPKGRZYXWWRSMK-UHFFFAOYSA-N 296.371 -0.467 50 20 CBGD Cn1nccc1C(=O)NNc1ccccc1S(N)(=O)=O 1324865134 YXZPRISKZDASKP-UHFFFAOYSA-N 295.324 -0.176 50 20 CBGD O=C1NC(=O)C2(CCC(=NNC(=O)C(F)F)CC2)N1 1325160821 VUYFISYGHYJEMR-UHFFFAOYSA-N 274.227 -0.124 50 20 CBGD COCCN(C)NC(=O)CCC[C@@]1(C)NC(=O)NC1=O 1327918578 YGJYAKLLOAKZGK-GFCCVEGCSA-N 286.332 -0.636 50 20 CBGD Cn1cccc1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331297657 PIMJXMLLKXFHIU-VIFPVBQESA-N 279.300 -0.866 50 20 CBGD CCO/C=C(/C#N)C(=O)N1CCN(CC(=O)N(C)C)CC1 1331511407 XQBAFVBTINACKH-QXMHVHEDSA-N 294.355 -0.337 50 20 CBGD C[C@@H]1OCCN(C(=O)NNC(=O)c2cn[nH]c2)[C@@H]1C 1334930152 JGDJXQAOOJTZTM-SFYZADRCSA-N 267.289 -0.127 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)CC[C@]1(C)CCC(=O)N1 1339599285 JKAIYUIIHSWFKC-ZDUSSCGKSA-N 298.343 -0.893 50 20 CBGD Cc1nnccc1C(=O)NNC(=O)C1CCOCC1 1354128224 JCGWDNZDRDZWPJ-UHFFFAOYSA-N 264.285 -0.027 50 20 CBGD NCC1(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCCCC1 1574270294 BXGCCXCNBXLXQM-JTQLQIEISA-N 296.371 -0.288 50 20 CBGD NC1(C(=O)NNC(=O)c2cccnn2)CC2(CCC2)C1 1580139367 NVILLMDWJGLNIE-UHFFFAOYSA-N 275.312 -0.101 50 20 CBGD NOCC(=O)NNC(=O)Cn1ccc2ccccc21 1580358256 BKVWVMSKOPPPEU-UHFFFAOYSA-N 262.269 -0.321 50 20 CBGD O=C(NNC(=O)[C@H]1[C@H]2CCNC[C@H]21)c1ncccn1 1580735988 KKLLLAVCLOFTAR-YIZRAAEISA-N 261.285 -0.907 50 20 CBGD C[C@@H](C[C@H]1CCOC1)NC(=O)NNC(=O)C(=O)O 1592463934 JSIUXONRPOBSQI-NKWVEPMBSA-N 259.262 -0.784 50 20 CBGD CN(NC(=O)CC[C@@H]1C[C@H](C(=O)O)CO1)C(N)=O 1598540938 HEXZBTIVKAJOBX-NKWVEPMBSA-N 259.262 -0.702 50 20 CBGD C[C@H](C(=O)O)C(=O)NNC(=O)Cc1ccncc1 1602804268 GEQBJGVTLCGDEA-ZETCQYMHSA-N 251.242 -0.508 50 20 CBGD Cn1cccc1C(=O)NNC(=O)[C@@H](C(=O)O)C1CC1 1605511274 FCFAUZRQJKHXBQ-VIFPVBQESA-N 265.269 -0.103 50 20 CBGD CS(=O)(=O)CC(=O)NN=Cc1cc(C(=O)O)co1 1607367753 YRPGPTAWCHLKJS-UHFFFAOYSA-N 274.254 -0.528 50 20 CBGD N[C@@H]1CCN(CC(=O)NNC(=O)c2ccccc2)C1 50243737 AENLVJRQYXQWMM-LLVKDONJSA-N 262.313 -0.519 50 20 CBGD CN1C(=O)CC[C@H](NS(=O)(=O)CCl)C1=O 84407306 ILJXKXBIPNNZFQ-YFKPBYRVSA-N 254.695 -0.751 50 20 CBGD O=C(CO)NNC(=O)CCc1nc2ccccc2[nH]1 182752268 HPQIQFVLLIXTKP-UHFFFAOYSA-N 262.269 -0.365 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2COCCO2)cc1O 272622558 JAYVBKXFBSGHKM-LLVKDONJSA-N 280.280 -0.123 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(=O)N2CCC(C)CC2)[nH]n1 278480700 UZRHIUSEFDKDAB-UHFFFAOYSA-N 293.327 -0.262 50 20 CBGD CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1cc(C)n[nH]1 285789974 KUTHZIPZTGMTHV-LLVKDONJSA-N 293.327 -0.120 50 20 CBGD COCCN(C)NC(=O)Cn1ccc(C)cc1=O 293492014 APRRLFXIMKVPKH-UHFFFAOYSA-N 253.302 -0.234 50 20 CBGD CC(C)[C@@H](CO)NC(=O)c1ccc(B(O)O)c(F)c1 584968711 CUSITTMEGYBENI-LLVKDONJSA-N 269.081 -0.748 50 20 CBGD COC[C@H]1CCN1C(=O)c1ccc(B(O)O)c(F)c1 584993546 WUAKZKJXILGDKX-SECBINFHSA-N 267.065 -0.634 50 20 CBGD CO[C@@H]1COCC[C@H]1CNC(=O)c1ccc(B(O)O)cc1 584998533 REGSYUNKFRVNLZ-WCQYABFASA-N 293.128 -0.852 50 20 CBGD C=CCOCCNC(=O)c1ccc(B(O)O)c(F)c1 585005495 IFNFNWWWFAIDEH-UHFFFAOYSA-N 267.065 -0.562 50 20 CBGD CC[C@H](C)NC(=O)CCNCc1ccc(B(O)O)cc1F 585021798 ZXIPPBVXYVKWFP-JTQLQIEISA-N 296.151 -0.100 50 20 CBGD C[C@H](CO[C@H]1CCOC1)NCc1ccc(B(O)O)cc1 585030923 LFZQKANLTJYMIE-RISCZKNCSA-N 279.145 -0.350 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCCC[C@@H]2O)c(F)c1 585036528 HOUBQDUURHHOPT-STQMWFEESA-N 267.109 -0.101 50 20 CBGD COCc1nc(C)cc(N2CC[C@H](B(O)O)C2)n1 585073154 JKEXJXIVLDRHHP-VIFPVBQESA-N 251.095 -0.015 50 20 CBGD CCNC(=O)NNC(=O)c1ccc2c(c1)nnn2C 729343389 PVRCAEPRTUDRAB-UHFFFAOYSA-N 262.273 -0.068 50 20 CBGD CCn1cc(C(=O)NNC(=O)NCCCOC)cn1 733953440 KJGOUUUXRQTEDT-UHFFFAOYSA-N 269.305 -0.117 50 20 CBGD O=C(O)Nc1ccccc1C(=O)NNC(=O)c1cnn[nH]1 740046794 YMFYFILHLHNYOD-UHFFFAOYSA-N 290.239 -0.031 50 20 CBGD O=C(NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C1CC1 748524026 FRZPUEXMCMKBCW-QMMMGPOBSA-N 277.284 -0.680 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)CN(CC)C1CC1 750887699 WHSOCQBGZAUUAB-UHFFFAOYSA-N 298.387 -0.077 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCC(=O)N1C 752448550 GCMHRYDLCPLMGQ-VIFPVBQESA-N 298.343 -0.941 50 20 CBGD O=C(CO)NNC(=O)Nc1cccc(-n2ccnn2)c1 757734988 ODXWTSBTHGQDSD-UHFFFAOYSA-N 276.256 -0.588 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cccnc1N 764687283 OKDGCHFYGIRLLO-ZETCQYMHSA-N 285.329 -0.948 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CCC[C@H]1C(=O)NC 766274720 FINCEGYRFNFVCS-BDAKNGLRSA-N 286.332 -0.732 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21 780907102 FWDNGAZRQQWPRB-OPRDCNLKSA-N 271.317 -0.222 50 20 CBGD COc1ccc(C(=O)NNC(C)=O)cc1-n1cnnn1 781675061 QSRPPXHHLQQCAI-UHFFFAOYSA-N 276.256 -0.548 50 20 CBGD CO[C@H](C)CCC(=O)NNC(=O)C(=O)NC(C)C 782551711 BYXUECKYKKYZOV-MRVPVSSYSA-N 259.306 -0.527 50 20 CBGD CCC(=O)NNC(=O)Nc1ccc(C(=O)OC)nn1 799231213 JOCSYXOTTPOJFO-UHFFFAOYSA-N 267.245 -0.174 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2ncn(C)n2)n1 809979033 MJUGHHHMCNWWSX-UHFFFAOYSA-N 277.288 -0.910 50 20 CBGD CC(=O)C1(C(=O)NNC(=O)C(=O)N2CCCC2)CC1 815162393 FEFYDIPRUJTLJN-UHFFFAOYSA-N 267.285 -0.875 50 20 CBGD Cc1oc(C(=O)NN(C)C2CC2)cc1S(N)(=O)=O 819649118 GTBDYQGXXQFBRS-UHFFFAOYSA-N 273.314 -0.026 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CCCCN(C)C1=O 823559647 ZYNZPFXXEHMNKT-MRVPVSSYSA-N 272.374 -0.288 50 20 CBGD CN1C(=O)CC[C@@H](NC(=O)NNc2ccc(F)cn2)C1=O 823905817 MVKKVRXOLGXLTE-MRVPVSSYSA-N 295.274 -0.006 50 20 CBGD CC(C)[C@H](C(=O)NN(C)[C@@H](C)CO)N1CCCC1=O 823965490 NPDDRPFADKGBHI-CMPLNLGQSA-N 271.361 -0.023 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cc(N2CCOCC2)ccn1 823983104 LAVFGXQIGBVZDO-LLVKDONJSA-N 294.355 -0.124 50 20 CBGD CCNC(=O)NNC(=O)Cc1noc(C)c1-c1nn[nH]n1 825476611 PHFYYGMFVBRSIO-UHFFFAOYSA-N 294.275 -0.944 50 20 CBGD COC(=O)[C@@H]1C[C@H](O)CN(S(=O)(=O)CCl)C1 828382757 WGEICERWEIYJDW-RQJHMYQMSA-N 271.722 -0.632 50 20 CBGD CC(=O)N[C@H](CCC(C)C)C(=O)NNC(=O)C(C)(C)O 832749392 ILQKNBJMWRBXNZ-SNVBAGLBSA-N 287.360 -0.154 50 20 CBGD CC[C@@H](C)C(=O)NNS(=O)(=O)N(C)CCOC 844650036 GKPLHCRFGDJHCS-MRVPVSSYSA-N 267.351 -0.524 50 20 CBGD CC[C@H]1COCC1=NNC(=O)[C@@H]1CCS(=O)(=O)C1 853285574 WUFQLOCHLGQPQY-DTWKUNHWSA-N 274.342 -0.050 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@](C)(O)COC 854386804 ULYGVVXQVNODAZ-LLVKDONJSA-N 292.332 -0.680 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H]2C[C@H]2C2CCC2)N1 858554238 IPDSSDLYHUPPQW-LPEHRKFASA-N 280.328 -0.216 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCOC(=O)N1 862094795 FFVWMIDOWWYQLX-RNJXMRFFSA-N 271.273 -0.943 50 20 CBGD C#CC[C@@H](NCc1ccccc1B(O)O)C(=O)OC 863889665 HIOLOMBVTXDOAP-GFCCVEGCSA-N 261.086 -0.979 50 20 CBGD Cc1cc(CC(=O)NNC(=O)C2(N(C)C)CC2)n[nH]1 869018026 YBLGMRYNNLIMAR-UHFFFAOYSA-N 265.317 -0.498 50 20 CBGD C#CC1(O)CN(S(=O)(=O)CBr)C1 908228427 MUCVLUICBLSXSL-UHFFFAOYSA-N 254.105 -0.652 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cnn(CCN(C)C)c1 910150929 XAXLRAKXSQVUAZ-JTQLQIEISA-N 269.349 -0.598 50 20 CBGD CN(C)CC(=O)NNC(=O)c1c2ccccc2nn1C 1116655306 PXJDLLUYCHJUCK-UHFFFAOYSA-N 275.312 -0.104 50 20 CBGD Cn1nncc1CNC(=O)NNC(=O)C1CCC1 1117492678 CRGCQQCWDBDXKI-UHFFFAOYSA-N 252.278 -0.554 50 20 CBGD C=CCCn1cc(C=NNC(=O)C(=O)OC)nn1 1118589471 IJQOXFPVTQJVOG-UHFFFAOYSA-N 251.246 -0.523 50 20 CBGD Cn1cncc1CCC(=O)NNC(=O)CN1CCCC1=O 1119599588 LPZTVTSGQADFST-UHFFFAOYSA-N 293.327 -0.878 50 20 CBGD C[C@@H](C(=O)NNC(=O)c1cnn(C)c1)n1ccnc1 1318620782 KBEDVDLAXPKKRC-QMMMGPOBSA-N 262.273 -0.361 50 20 CBGD COCCOCCCNC(=O)NNC(=O)c1cnn(C)c1 1318625898 JDAVCOLMWKYMEX-UHFFFAOYSA-N 299.331 -0.583 50 20 CBGD CC(=O)NNC(=O)C(=O)Nc1cnn(CC(C)C)c1C 1320234572 HVZIZWYAFCIHHW-UHFFFAOYSA-N 281.316 -0.047 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)n1ccnc1 1321910170 MBDAGDVKGQTISE-QMMMGPOBSA-N 262.273 -0.063 50 20 CBGD CC(C)C(=O)NNC(=O)[C@H](C)CN1CCOCC1 1323236637 BFFSVXZGTRBFQK-SNVBAGLBSA-N 257.334 -0.242 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@]1(F)CCOC1 1329537388 CPKBBABBDAYURK-VAOFZXAKSA-N 260.265 -0.313 50 20 CBGD C[C@@]1(C(=O)NNC(=O)C2CCOCC2)CCOC1 1330831852 ZQQFLOLPSCKWMC-GFCCVEGCSA-N 256.302 -0.013 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1ccc(Cl)nc1N 1334391309 XEVLZROZFQARHN-UHFFFAOYSA-N 272.692 -0.151 50 20 CBGD CN(CC(F)F)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1334931362 SFKFHHXPIPPFBT-YFKPBYRVSA-N 264.232 -0.797 50 20 CBGD O=C(C[C@H]1CCCC(=O)N1)NNC(=O)C1CCOCC1 1338185506 BZHAYAXEJNKLAV-SNVBAGLBSA-N 283.328 -0.381 50 20 CBGD CC(C)(C)c1cc(C(=O)NNC(=O)C(=O)NC2CC2)[nH]n1 1339862974 ROLKTQMAIFWDAN-UHFFFAOYSA-N 293.327 -0.253 50 20 CBGD C#CCOCCN(C)CC(=O)NNC(=O)C(C)(C)C 1341258130 PVTZVMOWGCTNFM-UHFFFAOYSA-N 269.345 -0.239 50 20 CBGD COC(=O)N(C)NC(=O)N[C@@H](C)[C@@H]1CN(C)CCN1C 1346767416 PYSRQCSIRUTRBI-UWVGGRQHSA-N 287.364 -0.467 50 20 CBGD CCc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)nn1C 1351627860 KKVYAIIFQYHPAE-MRVPVSSYSA-N 279.300 -0.978 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc(C(=O)O)cn1 1589415031 DUIVJUQLSZEFAE-RNFRBKRXSA-N 294.267 -0.639 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1ccsc1C(=O)O 1594712437 MCTIGEBKSIHJNK-UHFFFAOYSA-N 285.281 -0.058 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccc(C(=O)O)[nH]1 1599227274 UQBIJBGAFZLYSA-UHFFFAOYSA-N 284.272 -0.307 50 20 CBGD O=C(NC[C@@H]1C[C@H]1C1CCC1)NNC(=O)C(=O)O 1601519195 RELHTEABEKWEOB-YUMQZZPRSA-N 255.274 -0.162 50 20 CBGD Cc1csc([C@@H](C)CNC(=O)NNC(=O)C(=O)O)n1 1610547048 WSFGHPNIVYYTSI-YFKPBYRVSA-N 286.313 -0.030 50 20 CBGD CNC(=O)NNC(=O)C1(NC(C)=O)CCCCC1 48950300 XXMMPTYPRMBCMA-UHFFFAOYSA-N 256.306 -0.214 50 20 CBGD CCCC(=O)N1CCC[C@H]1C(=O)NNC(=O)NC 48950855 KETAKCDYWUIYQY-QMMMGPOBSA-N 256.306 -0.262 50 20 CBGD CCN1C[C@@H](C(=O)NNC(=O)Cc2ccncc2)CC1=O 81025361 CXNLGWCTULSXBP-NSHDSACASA-N 290.323 -0.360 50 20 CBGD COc1ccc(C(=O)NNC(=O)c2cccn2C)nn1 155054691 XPRXPJHOLAPJFW-UHFFFAOYSA-N 275.268 -0.102 50 20 CBGD Cc1ccc(NCC(=O)NNC(=O)c2c[nH]nn2)cc1 170850799 VGFHJPQODSUGBD-UHFFFAOYSA-N 274.284 -0.014 50 20 CBGD Cc1c(C(=O)NNC(=O)CO)c(=O)oc2ccccc12 182770676 UUBVICIHBSKFTR-UHFFFAOYSA-N 276.248 -0.145 50 20 CBGD CCN1C[C@H](C(=O)NNC(=O)c2ccncc2)CC1=O 193116631 ORNWQUSCXYZEMS-SNVBAGLBSA-N 276.296 -0.289 50 20 CBGD C=CC[C@@H](CC)NC(=O)NNC(=O)C(=O)NC1CC1 281440189 SBOVFJBQHZMQFB-MRVPVSSYSA-N 268.317 -0.050 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccc2[nH]nnc2c1 299250425 YGPADWDLFCDEAK-UHFFFAOYSA-N 292.299 -0.062 50 20 CBGD CC(=O)N1CCC[C@@H](C(=O)Nc2cccc(B(O)O)c2)C1 404958290 ICYRXWSJLDRWEJ-LLVKDONJSA-N 290.128 -0.437 50 20 CBGD O=C1CCCN1CCNS(=O)(=O)CBr 405404951 PNDKROZVZSNSQW-UHFFFAOYSA-N 285.163 -0.119 50 20 CBGD CN(C)CCCCNC(=O)c1cccc(B(O)O)c1 584945805 LFTUTPYQGDCJJT-UHFFFAOYSA-N 264.134 -0.562 50 20 CBGD C/C=C/C[C@@H](CO)NC(=O)c1cccc(B(O)O)c1 584978855 YRTXILRGGAISFC-JDGPPOGSSA-N 263.102 -0.577 50 20 CBGD C[C@@H](CC(C)(C)O)NC(=O)c1ccc(B(O)O)cc1 584995638 PAEBLOCJWWWEDE-VIFPVBQESA-N 265.118 -0.354 50 20 CBGD CC[C@@H](C)N1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584996828 QPXKDFGZVHJSFV-GFCCVEGCSA-N 290.172 -0.077 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCOC3(CCOCC3)C2)o1 585028448 KLXRCLIDUFFVIQ-LLVKDONJSA-N 295.144 -0.223 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCCc3c[nH]nc32)o1 585028717 PGDJPABSCVYBJY-SNVBAGLBSA-N 261.090 -0.150 50 20 CBGD Cn1ncc(C2CC2)c1S(=O)(=O)N1CC[C@@H](B(O)O)C1 585057333 RIYCXUHTWPAAIA-SECBINFHSA-N 299.161 -0.465 50 20 CBGD CCCNC(=O)Nc1ccc(CC(=O)NCB(O)O)cc1 585061776 GTMCTGYYGZGSGQ-UHFFFAOYSA-N 293.132 -0.111 50 20 CBGD CCOCC(C)=NNC(=O)[C@H](C)NS(C)(=O)=O 728434988 SFFRJYHYJYWZEH-QMMMGPOBSA-N 265.335 -0.547 50 20 CBGD C[C@@H](NC(=O)NNc1cccnn1)C(=O)N(C)C 736377090 YLRODIAPIMBJTL-SSDOTTSWSA-N 252.278 -0.421 50 20 CBGD CN(CC(=O)NNC(=O)COCc1ccccc1)C(=O)O 737392887 DBUHNVVTLUFJJT-UHFFFAOYSA-N 295.295 -0.040 50 20 CBGD O=C(O)CSCC(=O)NNC(=O)c1ccoc1 740485299 JFGROCHYNIVZRD-UHFFFAOYSA-N 258.255 -0.142 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1ccc2nn[nH]c2c1 745991655 BJHOHYLKEJKUSS-UHFFFAOYSA-N 290.283 -0.356 50 20 CBGD CC(C)(C)C(=O)NNC(=O)[C@@H]1CCCN1C(N)=O 747360750 RVZDMQCXJWWIDI-ZETCQYMHSA-N 256.306 -0.277 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1cccc(C#N)c1 748029556 HDNWDCHRRJEMSE-MRVPVSSYSA-N 282.325 -0.061 50 20 CBGD C[C@@H]1CN(C)CC1=NNC(=O)[C@H]1CCS(=O)(=O)C1 752159454 DAGSFWLUKROKMK-BDAKNGLRSA-N 273.358 -0.525 50 20 CBGD O=C(CO)NNC(=O)Nc1ccccc1O[C@H]1CCOC1 757677889 JGNULCZUJMYDTO-VIFPVBQESA-N 295.295 -0.001 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](O)[C@@H](CC)C1 761129196 YJLATWOPVNPGLZ-LPEHRKFASA-N 257.334 -0.365 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)Cn1ncn(C)c1=O 770470575 UOUSUTBVOKFCIC-UHFFFAOYSA-N 289.295 -0.649 50 20 CBGD C#CCOCCC(=O)O[C@@H](C)C(=O)NNC(=O)CC 772216941 DRRRRQOPCAPMJR-VIFPVBQESA-N 270.285 -0.485 50 20 CBGD Cc1cc(C(=O)NN(C)C(N)=O)c2c(O)nn(C)c2n1 778412255 OGGUEULVNUYGPW-UHFFFAOYSA-N 278.272 -0.362 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)/C=C/COC 786598195 AZAXLRDUSLNNMF-GJIOHYHPSA-N 258.274 -0.322 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CCCN1C1CC1 787331931 IRVWUNFJARBTOQ-LLVKDONJSA-N 277.328 -0.274 50 20 CBGD CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)Cc1cc[nH]n1 796209284 BTNJMOZFOJOIEA-LLVKDONJSA-N 293.327 -0.499 50 20 CBGD C[C@H]1CCNC(=O)[C@H]1NS(=O)(=O)CBr 799826197 DIAKOEXIKCWOFM-WDSKDSINSA-N 285.163 -0.217 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)C(C)(C)N1CCOCC1 801153102 SCCNQQQXXYZUPP-UHFFFAOYSA-N 295.343 -0.410 50 20 CBGD Cc1n[nH]c(C)c1CC(=O)NNC(=O)CN(C)C 806771151 MTZBFFHSHWTGQQ-UHFFFAOYSA-N 253.306 -0.722 50 20 CBGD C[C@H](NC(=S)NNC(=O)CN1CCOC1=O)C1CC1 824327266 DFXQRYPJKQSWOL-ZETCQYMHSA-N 286.357 -0.268 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)N(C)C 826923502 QOSOINMVYXNVLA-IVZWLZJFSA-N 272.349 -0.308 50 20 CBGD Cc1cc(NNC(=O)CN2CCCC2)nc(N)n1 828372513 ZCRHYNWVVUBRDE-UHFFFAOYSA-N 250.306 -0.094 50 20 CBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNc1ncc(F)cn1 831352297 WTGHXCSAOPVFAG-LURJTMIESA-N 291.308 -0.613 50 20 CBGD CONC(=O)CNC(=O)[C@]1(C)C[C@@H]1Br 832749664 XFHGEQIVRSRJSJ-YLWLKBPMSA-N 265.107 -0.046 50 20 CBGD COC(=O)c1ccc(NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc1 839714757 IMJQAVTUYLNHNM-HTQZYQBOSA-N 280.240 -0.024 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](N)[C@@H](C)C1 843353679 MTCNUMPRTPJXQK-LPEHRKFASA-N 256.350 -0.399 50 20 CBGD Cc1ccn(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(=O)c1 843658336 UVGFSYOTQTVBJT-QWRGUYRKSA-N 293.323 -0.271 50 20 CBGD COc1cccc(NNC(=O)[C@@H]2CCS(=O)(=O)N2)n1 845927471 OSXRKEDISYQJIO-ZETCQYMHSA-N 286.313 -0.775 50 20 CBGD O=S(=O)(CBr)N1C[C@@H]2CNC[C@@H]2C1 850587410 YSSYZMKKQKHVKM-KNVOCYPGSA-N 269.164 -0.180 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](C)[C@](C)(CO)C1 852701362 BMGJMIOQOBXSPA-NRUUGDAUSA-N 271.361 -0.117 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=S)N[C@@H](C)C1CC1 855099175 SSWDQTIQPUMEPR-WRWORJQWSA-N 275.374 -0.322 50 20 CBGD Cc1nnc2n1C[C@H](C(=O)NNC(=O)c1cc[nH]n1)CC2 855357860 RXGXBVRCDZHGOO-MRVPVSSYSA-N 289.299 -0.667 50 20 CBGD NC(=O)C1(C(=O)NNC(=O)c2cccc(F)n2)CCC1 856423958 DISOIYBOJHIIIY-UHFFFAOYSA-N 280.259 -0.363 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCn2cccc2)N1 858287239 PFHWWGKCUKFJRN-VIFPVBQESA-N 279.300 -0.903 50 20 CBGD COCCOCC(C)=NNC(=O)[C@H]1CCC(=O)N1 863149444 ZWEGFBJGOOPEBW-SECBINFHSA-N 257.290 -0.580 50 20 CBGD CCc1cncc(C(=O)NNC(=O)CS(C)(=O)=O)c1 863465531 ANQZHYZWVGXQAR-UHFFFAOYSA-N 285.325 -0.550 50 20 CBGD O=S(=O)(CCNCc1ccc(B(O)O)cc1)CC1CC1 863887985 BVHJOVVVEGCYOH-UHFFFAOYSA-N 297.185 -0.719 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@H]1CCCNC1=O)C1CC1 869218993 PQRATHHHBAGUEG-APPZFPTMSA-N 284.385 -0.194 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@H](C)CS(C)(=O)=O 887144617 UCTMENAXOXBPJY-SECBINFHSA-N 274.342 -0.382 50 20 CBGD OC[C@@H](C[C@H]1CCCO1)NCc1ccc(B(O)O)cc1 895746528 DQTZNJZOXNVTQD-ZIAGYGMSSA-N 279.145 -0.614 50 20 CBGD C[C@](O)(C(=O)NNC(=O)CN1CCCC1=O)C1CCC1 913732622 COENZHJFCPSVQM-CYBMUJFWSA-N 283.328 -0.693 50 20 CBGD Cn1nc(C2CC2)nc1CC(=O)NNC(=O)NC1CC1 1118214114 YDWZZYSFWAMFRZ-UHFFFAOYSA-N 278.316 -0.272 50 20 CBGD COCCn1cc(NC(=O)NNC(C)=O)ccc1=O 1254920850 ZDTXACMTEIXMPH-UHFFFAOYSA-N 268.273 -0.333 50 20 CBGD CO[C@@H]1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C[C@H]1C 1261791271 LJSSYODNFIEUKB-KXUCPTDWSA-N 298.343 -0.637 50 20 CBGD O=C(NN=C1CCS(=O)(=O)C1)c1cnccn1 1317785769 XMMGSIWZEILZIK-UHFFFAOYSA-N 254.271 -0.619 50 20 CBGD C[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1317913453 LKQBWJHMRJYRCL-BWZBUEFSSA-N 260.315 -0.776 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc(OCC(N)=O)cc1 1318036573 DBIRSQNNVUUYED-UHFFFAOYSA-N 280.284 -0.533 50 20 CBGD CCOCC(=O)NNC(=O)NCCCc1nc(C)no1 1318620502 DDWDGRJWEADLRQ-UHFFFAOYSA-N 285.304 -0.322 50 20 CBGD O=C(CC[C@H]1NC(=O)NC1=O)NN=c1cc[nH]cc1Cl 1320288722 XUANAJNMUPSSPL-MRVPVSSYSA-N 297.702 -0.412 50 20 CBGD Cc1nn(C)c(-n2cccn2)c1C(=O)NNC(=O)N(C)C 1320458035 BPZRGMBSMQLSPF-UHFFFAOYSA-N 291.315 -0.170 50 20 CBGD O=C(NC[C@H]1CCSC1)NNC(=O)C(=O)NC1CC1 1320991023 SRHFZGAFEFTJTC-SSDOTTSWSA-N 286.357 -0.652 50 20 CBGD CC(C)(O)C(=O)NNC(=O)CCc1ncccn1 1324755865 VNPKCWDEUDXQSS-UHFFFAOYSA-N 252.274 -0.673 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCn2ncnc2C1 1325676131 XGAJQMXBDZRKHA-QMMMGPOBSA-N 266.305 -0.960 50 20 CBGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)OCC(F)(F)F 1328494541 LJIUZKDNBYALNB-YFKPBYRVSA-N 298.221 -0.151 50 20 CBGD CC(C)n1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 1330225760 JAMQBVBPKCQKBM-SECBINFHSA-N 279.300 -0.496 50 20 CBGD CCNC(=O)CNC(=O)NNc1nncc(N)c1Cl 1330545099 QADNBWNAYVAGDZ-UHFFFAOYSA-N 287.711 -0.526 50 20 CBGD Cc1nscc1C(=O)NNC(=O)CS(C)(=O)=O 1335366122 FBDQQERJLZYUJR-UHFFFAOYSA-N 277.327 -0.743 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1cnn(C)c1 1345930056 JNDGCUOQEGLJHE-APPZFPTMSA-N 288.329 -0.845 50 20 CBGD CC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCN2)cc1O 1575033294 IPCJVWORYOKXSE-SNVBAGLBSA-N 277.280 -0.282 50 20 CBGD C[C@@H](N)c1nc(C(=O)NNC(=O)Cc2cc[nH]n2)cs1 1576176061 QHMZVEOSCZRGIY-ZCFIWIBFSA-N 294.340 -0.110 50 20 CBGD C[C@H](NC(=O)NNC(=O)C(=O)O)c1ccns1 1593102462 SRFATYBOEHYSOU-BYPYZUCNSA-N 258.259 -0.381 50 20 CBGD Cc1cc(C(=O)NNC(=O)C(C)(C)C(=O)O)n[nH]1 1594280978 DHJOBWYHGWDNGS-UHFFFAOYSA-N 254.246 -0.410 50 20 CBGD CC(C)(C(=O)O)C(=O)NNC(=O)Cc1ccncc1 1602836905 UUQNZZZLTQEZEJ-UHFFFAOYSA-N 265.269 -0.118 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(C(=O)O)ccn1 1604833778 FXSLGMDAQVWWHF-CBAPKCEASA-N 293.279 -0.034 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1 1606292700 QEBFUEFYCIBSOT-FSDSQADBSA-N 275.330 -0.668 50 20 CBGD O=C(O)C(=O)NNC(=S)NCCc1ccccc1 1610714113 HPQFCYIVWNBRFX-UHFFFAOYSA-N 267.310 -0.191 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc(F)ccc1O 80023555 HHYHKPJZPXMYAB-UHFFFAOYSA-N 255.249 -0.146 50 20 CBGD C#CCNC(=O)NNC(=O)Cc1cn2ccccc2n1 175188633 JWNCNKPFHDIYGR-UHFFFAOYSA-N 271.280 -0.160 50 20 CBGD CCS(=O)(=O)NNC(=O)COc1ccccc1O 264578104 IYYWJYWRDXYDPV-UHFFFAOYSA-N 274.298 -0.259 50 20 CBGD CC[C@](C)(OC)C(=O)NNC(=O)C(=O)N1CCCC1 280033661 LJTVBPYGMZCFFP-LBPRGKRZSA-N 271.317 -0.429 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C2(O)CCC2)cc1 282795306 MKWGJDBOFAIEEO-UHFFFAOYSA-N 291.307 -0.004 50 20 CBGD C[C@@H]1CCNC(=O)[C@H]1NC(=O)NNc1ncncc1F 293384451 OJSVZMCETPHIEX-SVRRBLITSA-N 282.279 -0.234 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 373743445 VVWCGWOFBPDKGU-VIFPVBQESA-N 297.355 -0.304 50 20 CBGD CCO/C=C(\C#N)C(=O)NNC(=O)C(=O)NC(CC)CC 491045975 GDZKRKGHTLVKRE-CMDGGOBGSA-N 296.327 -0.117 50 20 CBGD COCCS(=O)(=O)NNC(=O)OC(C)(C)C 495322781 VSOQMKGGZBSAGM-UHFFFAOYSA-N 254.308 -0.008 50 20 CBGD O=C(NCCN1CCCCC1)c1cc(B(O)O)ccc1F 584930465 YFLLNDMNINKEJC-UHFFFAOYSA-N 294.135 -0.279 50 20 CBGD CN(C)[C@H](CNC(=O)c1cccc(B(O)O)c1)C1CC1 584932104 GNRWTMNPDNROKS-CYBMUJFWSA-N 276.145 -0.564 50 20 CBGD C[C@H](NC(=O)c1ccc(B(O)O)cc1)[C@H]1CCCOC1 584972222 QHQQSYILSAZCGU-JQWIXIFHSA-N 277.129 -0.089 50 20 CBGD COC[C@@]1(C)CCN(C(=O)c2ccc(B(O)O)cc2)C1 584995591 OCNNXNPOIYLEIH-AWEZNQCLSA-N 277.129 -0.135 50 20 CBGD CC(=O)N1CCC(NCc2ccc(B(O)O)o2)CC1 585014061 HNEFFERSDXJNRB-UHFFFAOYSA-N 266.106 -0.940 50 20 CBGD CCCN1CCC(NCc2ccc(B(O)O)o2)CC1 585033115 XZGITAWJZDGZBS-UHFFFAOYSA-N 266.150 -0.077 50 20 CBGD CCO[C@H]1COCC[C@@H]1NCc1cccc(B(O)O)c1 585034590 KHLLHDBPQKLTSH-KBPBESRZSA-N 279.145 -0.350 50 20 CBGD C[C@H]1NC(=O)CC[C@@H]1CNCc1cccc(B(O)O)c1 585046848 WLUNXMAULZBRSP-ZYHUDNBSSA-N 276.145 -0.629 50 20 CBGD CCN(CC)C(=O)CCC(=O)N1CC[C@H](B(O)O)C1 585067929 WYPVVSLLUYLYTI-JTQLQIEISA-N 270.138 -0.290 50 20 CBGD CCCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)CN(C)C 733359874 TXFATANFNANQAG-NSHDSACASA-N 298.387 -0.123 50 20 CBGD CNC(=O)NNS(=O)(=O)CCOc1ccc(F)cc1 742028346 HDMTULCIFLUPKE-UHFFFAOYSA-N 291.304 -0.032 50 20 CBGD CC[C@H](COC)NC(=O)NNC(=O)[C@@H](C)OCCOC 748630351 GPDSNILSOXDTPE-NXEZZACHSA-N 291.348 -0.207 50 20 CBGD COCC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 754256608 BZEQGTGYRVDMKE-SECBINFHSA-N 289.357 -0.115 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1cc(C)ncn1 760151627 LSYLBWWZXVXLQU-UHFFFAOYSA-N 267.289 -0.667 50 20 CBGD C[C@@H]1CCCN(C(=O)C(=O)NNC(=O)c2cnn(C)c2)C1 767931406 UNQZTPWCZUXBOH-SECBINFHSA-N 293.327 -0.560 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)NC2CCCC2)C1=O 772513610 ZLGPRUCMYBALHJ-VIFPVBQESA-N 268.317 -0.262 50 20 CBGD C#C[C@H](N[C@@H](C)C(=O)NNC(=O)CC)[C@@H]1CCCO1 775791853 XHXRWNHJWSVIQW-DCAQKATOSA-N 267.329 -0.297 50 20 CBGD CCN(CC(=O)NNC(=O)CO)c1ccccc1 777781309 MKUKPAQPBSEXOC-UHFFFAOYSA-N 251.286 -0.347 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cn(C(C)(C)C)nn1 790174111 OMBUJHQUWTYSIE-UHFFFAOYSA-N 282.304 -0.161 50 20 CBGD CCC(CC)NC(=O)C(=O)NN=C1C(=O)OC[C@H]1C 794911793 QJZLZCFXSPUQRJ-SSDOTTSWSA-N 269.301 -0.044 50 20 CBGD C=CCNC(=S)NNC(=O)c1c([N+](=O)[O-])cnn1C 798305723 CHIJHFYNWHHMFX-UHFFFAOYSA-N 284.301 -0.377 50 20 CBGD CN(C)CC(=O)NN=C1CC(=O)N2CCCC[C@@H]12 799478723 NTNRMRGNNRNKSQ-JTQLQIEISA-N 252.318 -0.195 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@H]1CCc2c[nH]nc2C1 823950612 DYUQZVKAECKWJS-BDAKNGLRSA-N 252.318 -0.142 50 20 CBGD COc1cc(F)cc(NNC(=O)[C@@H]2CC(=O)NC(=O)N2)c1 830843040 POEAISVBMGZAJK-VIFPVBQESA-N 296.258 -0.125 50 20 CBGD COCC(=O)NNC(=O)Nc1nc(CC(=O)O)cs1 831540812 DUIZYXKUIIKSAS-UHFFFAOYSA-N 288.285 -0.431 50 20 CBGD O=C(C[C@@H]1CCC(=O)N1)NNC(=O)[C@@H]1CCCCO1 854682626 CTIUIRZDSJRHKG-IUCAKERBSA-N 269.301 -0.628 50 20 CBGD O=C(NNC(=O)[C@H]1CCCc2nn[nH]c21)c1ncccn1 854952848 OGLHWSJUIYPKNI-ZETCQYMHSA-N 287.283 -0.524 50 20 CBGD COc1cc(CCC(=O)NNC(=O)c2cn[nH]c2)on1 862467603 YVTGFGRWROEEHN-UHFFFAOYSA-N 279.256 -0.200 50 20 CBGD C[C@H]1CN(C2CC2)CC1=NNC(=O)[C@@H]1CCC(=O)N1 863148960 NUMVZFIDSQFYQA-WPRPVWTQSA-N 264.329 -0.149 50 20 CBGD COC(=O)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)C1CC1 863876557 FRQRRTPMUAKHQJ-GFCCVEGCSA-N 291.112 -0.562 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N[C@H]1CCC[C@H]1C(=O)OC 879211726 USAZOOCPMPLVKU-AEJSXWLSSA-N 285.344 -0.136 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)CC(F)(F)F)C(=O)O1 896335470 VRFDBNOVFIVMHX-RFZPGFLSSA-N 283.206 -0.027 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@@H]1CCOC(=O)N1 899998376 LRZXWHJOPVDGPT-LURJTMIESA-N 274.346 -0.221 50 20 CBGD NC(=O)C(=O)NN=C1CCOc2c(F)cccc21 921251231 GCUFNYNIKFVPPV-UHFFFAOYSA-N 251.217 -0.086 50 20 CBGD COCCCNC(=O)NNC(=O)c1ccc(C(N)=O)cn1 1115926736 BOJLCQDJHHYPSB-UHFFFAOYSA-N 295.299 -0.839 50 20 CBGD CN(C)c1ncccc1C=NNC(=O)CS(C)(=O)=O 1118953946 WUVKWZQYTMSWPD-UHFFFAOYSA-N 284.341 -0.358 50 20 CBGD O=C(NN=Cc1ncc[nH]1)N[C@@H]1CCS(=O)(=O)C1 1251713797 UDPUJKRMLCDNCU-SSDOTTSWSA-N 271.302 -0.770 50 20 CBGD NC(=O)CNC(=O)c1ccc(CNC(=O)CCl)cc1 1253963627 XQLBNCNXOWVSDR-UHFFFAOYSA-N 283.715 -0.243 50 20 CBGD CO[C@@H](C(=O)NNC(=O)c1cnn(C)c1)c1cnn(C)c1 1256532261 IINVJJIRIKUHHV-SNVBAGLBSA-N 292.299 -0.698 50 20 CBGD Cc1[nH]c(C#N)cc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1261830243 PENZORSJEZZWNV-VIFPVBQESA-N 275.268 -0.766 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cn(Cc2ccccn2)nn1 1261910992 PKBICJLAXDFDPU-SNVBAGLBSA-N 290.327 -0.321 50 20 CBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C1[C@@H]2CCC[C@@H]12 1318947912 CQZWEWSQHBYDBV-DJLDLDEBSA-N 286.353 -0.385 50 20 CBGD COC(=O)C(=O)NN[C@@H](C(=O)OC)c1cccnc1 1319403875 QEWDCIOIFXWJLV-MRVPVSSYSA-N 267.241 -0.911 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1[nH]nnc1C 1320975625 LHRPJZNZQPZCCI-UHFFFAOYSA-N 282.304 -0.821 50 20 CBGD CC[C@@H](OC)C(=O)NNc1nc(O)c2cnn(C)c2n1 1322739918 YFTXSFPTWOSPED-SSDOTTSWSA-N 280.288 -0.063 50 20 CBGD Cc1nnc(CN(C)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)o1 1327897204 FFAUOFPEYBOPDE-APPZFPTMSA-N 297.315 -0.024 50 20 CBGD CCc1nn(C)cc1C=NNC(=O)CS(C)(=O)=O 1329557528 OMVVDDGLOVHTHQ-UHFFFAOYSA-N 272.330 -0.523 50 20 CBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CCc2ncncc2C1 1329807414 RJHBCYACZSIGJB-NXEZZACHSA-N 264.329 -0.075 50 20 CBGD Cn1nncc1C(=O)NNC(=O)OCC(F)(F)F 1330965421 CYFVIWIRMXUBOS-UHFFFAOYSA-N 267.167 -0.252 50 20 CBGD CO[C@@H]1COCC[C@@H]1CNC(=O)NNC(=O)c1cn[nH]c1 1334932601 DCDSEYQMXUQRBA-PSASIEDQSA-N 297.315 -0.595 50 20 CBGD O=C(/C=C\c1ccc[nH]1)NNC(=O)C(=O)NC1CC1 1342151714 QHRVXMVRAMRCCO-WAYWQWQTSA-N 262.269 -0.546 50 20 CBGD COCC1(NCC(=O)NNC(=O)C2CC2)CCOCC1 1347122695 YRWUEXWMNJTAKJ-UHFFFAOYSA-N 285.344 -0.671 50 20 CBGD CCOC[C@@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)CCO1 1348122187 FGBVYMICFNISON-JTQLQIEISA-N 297.315 -0.499 50 20 CBGD C[C@@H](CC(=O)N1CC[C@H](B(O)O)C1)n1ccnc1 1348489787 CRBAFECTXVVMCT-UWVGGRQHSA-N 251.095 -0.091 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNC(=O)CC(F)(F)F 1351001014 JMBOMFCJCNEIMN-VKHMYHEASA-N 256.184 -0.857 50 20 CBGD CC1(C)CC[C@H](CCNC(=O)NNC(=O)C(=O)O)OC1 1593876727 PIUWPIZKNVALMU-MRVPVSSYSA-N 287.316 -0.003 50 20 CBGD COc1ccc(CCNC(=O)NNC(=O)C(=O)O)cc1O 1599554381 HOYIJSOOQRNVPA-UHFFFAOYSA-N 297.267 -0.642 50 20 CBGD O=C(O)CSCCC(=O)NNC(=O)Cc1cc[nH]n1 1602098511 BJGKFINMYQJOBC-UHFFFAOYSA-N 286.313 -0.693 50 20 CBGD C#CC[C@@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)O 1602685176 OHRCCWAFENGZSY-GULOHRGCSA-N 272.264 -0.080 50 20 CBGD CC(C)NC(=S)NNC(=O)c1cc(C(=O)O)on1 1603903697 APKLCQDHWBCSBW-UHFFFAOYSA-N 272.286 -0.110 50 20 CBGD C[C@@]1(CNC(=O)NNC(=O)C(=O)O)C[C@@H]1Br 1604577169 FHRQFLMFVZJZTH-NVNXEXLPSA-N 294.105 -0.425 50 20 CBGD C[C@@H](CC=NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)O 1609738141 TULANIVYJLVASD-YUMQZZPRSA-N 276.314 -0.366 50 20 CBGD O=S(=O)(CBr)NCC1(O)CCOCC1 77193485 FPLLOMAEPPJTBF-UHFFFAOYSA-N 288.163 -0.200 50 20 CBGD Cc1nccc(C(=O)NNC(=O)c2c[nH]nc2C)n1 110758670 UNJJTLKZTJBMQU-UHFFFAOYSA-N 260.257 -0.109 50 20 CBGD CN(C)CC(=O)NNC(=O)c1ccc(N)c([N+](=O)[O-])c1 113424049 GNBXMIMGAAIMIJ-UHFFFAOYSA-N 281.272 -0.500 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2ccc(C#N)cn2)cn1 117682290 ANWQBLMWZJVUGU-UHFFFAOYSA-N 270.252 -0.238 50 20 CBGD CC(=O)NNS(=O)(=O)c1ccc2c(c1)CCO2 193982420 BSCJNFTVGYSEOA-UHFFFAOYSA-N 256.283 -0.049 50 20 CBGD O=C(CN1CSCC1=O)NNC(=O)c1ccccc1O 198350924 JUQNGERTFDPGQY-UHFFFAOYSA-N 295.320 -0.314 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H](C)CC(=O)OC 268216977 RSWYDERELYHTQS-MRVPVSSYSA-N 275.305 -0.448 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1)c1ccc[nH]1 276238459 ZYYPRBJQGUEVHH-SFYZADRCSA-N 267.241 -0.592 50 20 CBGD CC[S@@](=O)CC(=O)NNC(=O)c1cccn1C 278543954 GDZIHSLXZORSMF-QGZVFWFLSA-N 257.315 -0.445 50 20 CBGD COC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)NC1CC1 285076755 LSPSUZCDIABPPN-SFYZADRCSA-N 255.274 -0.322 50 20 CBGD CN1CCN(C(=O)NNC(=O)CCc2ncc[nH]2)CC1 288022975 QECIXWBGOFLNSO-UHFFFAOYSA-N 280.332 -0.670 50 20 CBGD C[C@@H]1CN(S(=O)(=O)CBr)CC(=O)N1 306860687 DXZXEBMVUUYWNC-RXMQYKEDSA-N 271.136 -0.511 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 495826922 ZGBBHFPRKFJYCF-SSDOTTSWSA-N 255.274 -0.273 50 20 CBGD CC(C)NC(=O)CCNC(=O)c1ccc(B(O)O)c(F)c1 584929990 FYXZQLIFDIPRRH-UHFFFAOYSA-N 296.107 -0.850 50 20 CBGD CC[C@H](CCO)CNC(=O)c1ccc(B(O)O)c(F)c1 584956943 AKPUZTBIJKUFPK-SECBINFHSA-N 283.108 -0.356 50 20 CBGD CCOC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584958384 XUHFADNUOFHHJC-NSHDSACASA-N 277.129 -0.135 50 20 CBGD C[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)CC[S@@](=O)C1 584983231 PQZBRFGYWXDMCF-CFMSYZGJSA-N 295.169 -0.793 50 20 CBGD CC1(C)COC[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584996337 FTIIZFQZLQGNRY-NSHDSACASA-N 281.092 -0.340 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H]2OC[C@@H]2C1 585005877 OOYHCOICBSRBQB-JQWIXIFHSA-N 261.086 -0.773 50 20 CBGD C[C@]1(CNCc2cccc(B(O)O)c2)CCC(=O)N1 585044400 HVWBYPPYBOMXNO-CYBMUJFWSA-N 262.118 -0.875 50 20 CBGD COc1cccc(NCC(=O)NNC(=O)c2cnn[nH]2)c1 728206284 GCNLZERQOPVWND-UHFFFAOYSA-N 290.283 -0.314 50 20 CBGD Cc1nnc2ccc(C(=O)NNC(=O)c3cnn(C)c3)cn12 735446297 MBVBGVJMIBXXBX-UHFFFAOYSA-N 299.294 -0.154 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cccc(C(=O)O)n2)cn1 739023165 PRWOKPONHAVFCL-UHFFFAOYSA-N 289.251 -0.412 50 20 CBGD C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)Cc1cc[nH]n1 755268861 ITXHDYPNKCOGCM-QMMMGPOBSA-N 295.343 -0.350 50 20 CBGD CNC(=O)c1ccc(NC(=O)NNC(=O)CO)cc1 755509450 FUADTRUVXYWXCJ-UHFFFAOYSA-N 266.257 -0.809 50 20 CBGD COC[C@H](C)CC(=O)NNc1ccc(C(N)=O)nn1 757393532 ZQXQOOYCTTZMAV-SSDOTTSWSA-N 267.289 -0.309 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C 757799457 VWGCDDNXZNTEDT-KOLCDFICSA-N 284.360 -0.164 50 20 CBGD Cc1ccc(C(=O)NNC(=O)c2cnn(C)c2N)o1 758323571 ULCIWIHZKQRARR-UHFFFAOYSA-N 263.257 -0.021 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)c1cnn(C)c1 759489065 CHZZUCOMGRIRLL-MRVPVSSYSA-N 282.304 -0.982 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@@]12CCOC2)C(=O)N1CCCC1 763758292 QWZVNOHNKPQMKU-NOZJJQNGSA-N 281.312 -0.817 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cccc(OCC(N)=O)c1 768246435 JJKVZDMTBNKGJN-UHFFFAOYSA-N 295.295 -0.917 50 20 CBGD COC(=O)Cn1cccc1C=NNC(=O)C(=O)NC1CC1 776185137 FZNZLSBBIBEPBK-UHFFFAOYSA-N 292.295 -0.610 50 20 CBGD CC(CS(=O)(=O)c1ccccc1)=NNC(=O)CO 776783048 MKINWRIDMKJBMB-UHFFFAOYSA-N 270.310 -0.055 50 20 CBGD COCC1(C(=O)NNC(=O)Cc2cc[nH]n2)CCC1 786110352 AIYUTQIVWIXCNV-UHFFFAOYSA-N 266.301 -0.084 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2csc(O)n2)n[nH]1 792284476 LVARPARRMMISHD-UHFFFAOYSA-N 267.270 -0.045 50 20 CBGD CNS(=O)(=O)c1ccc(NC(=O)NNC(C)=O)nc1 792391736 GMYVOYPYLIYJEI-UHFFFAOYSA-N 287.301 -0.838 50 20 CBGD COC[C@H](CNC(=O)NNC(=O)c1cccc(C)n1)OC 793150231 XXUDNOLOJMHQML-JTQLQIEISA-N 296.327 -0.005 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1ccoc1CC(N)=O 794826635 NNSCUDAIXLJZMQ-UHFFFAOYSA-N 290.279 -0.279 50 20 CBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cnoc1C 799479254 YGYXQPLUGRDODQ-ZETCQYMHSA-N 288.329 -0.239 50 20 CBGD Cn1cc(C=NNC(=O)c2cccnc2)c(=O)n(C)c1=O 807185107 ZRDSAMGONBGVGH-UHFFFAOYSA-N 287.279 -0.757 50 20 CBGD C[S@@](=O)CCNC(=O)NNc1ncncc1F 814303933 DGFBPTQZNHYYPN-QGZVFWFLSA-N 261.282 -0.380 50 20 CBGD CC(C)(NS(C)(=O)=O)C(=O)NNc1ncncc1F 817083286 FTZBOWSNEVTYAJ-UHFFFAOYSA-N 291.308 -0.613 50 20 CBGD CCNC(=O)NNS(=O)(=O)CCOCC1CC1 818047496 BCYZSCMRKYZKCE-UHFFFAOYSA-N 265.335 -0.434 50 20 CBGD CN1C(=O)CC[C@H](NC(=O)NNC(=O)C(C)(C)C)C1=O 823012362 VELOGDNAGXRNGK-ZETCQYMHSA-N 284.316 -0.490 50 20 CBGD CCCn1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)nn1 843663963 ZYGOFRGHZGREFB-BDAKNGLRSA-N 281.316 -0.126 50 20 CBGD COCC1(CC(=O)NNC(=O)C(=O)NC(C)C)CC1 843755006 DEWQEEPSLSOYRA-UHFFFAOYSA-N 271.317 -0.525 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)N2)o1 845740094 XRCYPUQSNGNLQX-SSDOTTSWSA-N 287.297 -0.959 50 20 CBGD C[C@H](NC(=S)NNC(=O)CN1CCCNC1=O)C1CC1 855103925 VUPLEWQLQNCHCK-QMMMGPOBSA-N 299.400 -0.305 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)nc1 862457473 KGEPQSLJJXWDFJ-VIFPVBQESA-N 262.269 -0.570 50 20 CBGD CC(C)NC(=O)NNC(=O)/C=C\CN1CCOCC1 865042585 UZRFLAQEGMDKNO-ARJAWSKDSA-N 270.333 -0.386 50 20 CBGD Cc1oc(C(=O)NNC(=O)N2CCN(C)CC2)cc1CO 868121302 PHXLCXBOWZPYHU-UHFFFAOYSA-N 296.327 -0.318 50 20 CBGD O=C(/C=C\CN1CCOCC1)NNc1ncncc1F 868539805 CVZANOXUPFIAMX-UPHRSURJSA-N 281.291 -0.053 50 20 CBGD C#Cc1ccc(C(=O)NNC(=O)COCCOC)cn1 869909336 RENRJGXGCACVJB-UHFFFAOYSA-N 277.280 -0.513 50 20 CBGD CCCNC(=O)NNC(=O)[C@H]1CCCC(=O)N1C 906426289 PNLBCGWKMHEEMC-MRVPVSSYSA-N 256.306 -0.262 50 20 CBGD CC1=C(C(=O)NN(C)C[C@@H](C)O)[C@H](C)n2ncnc2N1C 910151410 BNRBGEOWIFNCCT-SCZZXKLOSA-N 294.359 -0.093 50 20 CBGD CCNC(=O)N(C)NC(=O)c1cc(C(N)=O)c[nH]1 1116517127 LCOAOVFXFQXZMZ-UHFFFAOYSA-N 253.262 -0.580 50 20 CBGD Cc1nn[nH]c1C(=O)NNC(=O)CNC(=O)OC(C)(C)C 1116843896 QDTSJGHBWLGYDT-UHFFFAOYSA-N 298.303 -0.601 50 20 CBGD CN1C[C@@H](C(=O)NNc2nncc(N)c2Cl)CC1=O 1253123137 CAKREAQBTCPYRO-YFKPBYRVSA-N 284.707 -0.366 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)[C@H](O)c1cccnc1 1257428532 WKEROIUXGTUFDH-CYBMUJFWSA-N 286.291 -0.100 50 20 CBGD Cn1cc(C(=O)NNC(=O)CCN2CCCC2=O)cn1 1318903984 YSXRUENVIIBAIS-UHFFFAOYSA-N 279.300 -0.806 50 20 CBGD O=C(NN=CC[C@H]1CCOC1)N[C@H]1CCS(=O)(=O)C1 1320399781 VPBHHRSDNAJWCB-UWVGGRQHSA-N 289.357 -0.115 50 20 CBGD C[S@@](=O)CCNC(=O)NNc1nncc(N)c1Cl 1322643766 UMBWTHZQSVOKEA-GOSISDBHSA-N 292.752 -0.283 50 20 CBGD COc1ccccc1C(=O)C(=O)NN(C)C(N)=O 1325435804 WLCBIGYSZOHMAH-UHFFFAOYSA-N 251.242 -0.080 50 20 CBGD CN(C)N(C(=O)CC1OCCO1)[C@H]1CCS(=O)(=O)C1 1327707745 YOEIKNJTGLUHIM-VIFPVBQESA-N 292.357 -0.758 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCc2nncn2C1 1327853559 VKDHGZBVDFTCCG-MRVPVSSYSA-N 266.305 -0.467 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(C#N)c1 1342602557 XOADCKWJXXUGAQ-UHFFFAOYSA-N 276.252 -0.709 50 20 CBGD C[C@](O)(C(=O)NNC(=O)[C@H]1CCCCO1)C1CC1 1344405169 UXDZQJZUMFRTIH-BXKDBHETSA-N 256.302 -0.136 50 20 CBGD COc1c(F)cc(CC(=O)NN)cc1S(N)(=O)=O 1349420234 HKBSTEWURJAVFD-UHFFFAOYSA-N 277.277 -0.986 50 20 CBGD COc1ccnc(NNC(=O)C[C@@H]2CC(=O)N2)n1 1350544897 PPMYDTCXOLVLEP-LURJTMIESA-N 251.246 -0.793 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)C[C@H]1CCC(=O)N1 1350619311 DOYGCZWHLWSKHL-SNVBAGLBSA-N 276.296 -0.560 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)C1(F)CCOCC1 1354112405 ZAOYSKKSHKQCQH-UHFFFAOYSA-N 287.291 -0.725 50 20 CBGD N#CC1=CCN(C(=O)c2cnn(C[C@H](O)CO)c2)CC1 1362232755 PVNHPHQNSQRPSE-LBPRGKRZSA-N 276.296 -0.468 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)NC[C@H]2CCN2)n1 1579584726 OAGRZVQZLPHGJI-SNVBAGLBSA-N 280.332 -0.808 50 20 CBGD C[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)c1ccc(B(O)O)cc1 1589302727 KJLMXMKZWHUDRG-MWLCHTKSSA-N 291.112 -0.308 50 20 CBGD COC(=O)N(C)NC(=O)NCC1(C(=O)O)CCOCC1 1593856037 UBGFROKEFRRJJT-UHFFFAOYSA-N 289.288 -0.220 50 20 CBGD CO[C@@](C)(CNC(=O)NNC(=O)C(=O)O)c1ccccc1 1599037064 PQEZVBCYIKVZLX-ZDUSSCGKSA-N 295.295 -0.037 50 20 CBGD COc1cc(C(=O)O)ccc1NNC(=O)CNC(N)=O 1599377100 JWGZODHTPJHSBU-UHFFFAOYSA-N 282.256 -0.495 50 20 CBGD CC(=O)NCCN([C@H](C)C(=O)O)S(=O)(=O)CCl 1776203669 NIUFOKSPLRIYBC-ZCFIWIBFSA-N 286.737 -0.576 50 20 CBGD Cn1ccc(C(=O)NNC(=O)NC2CC2)cc1=O 49150619 KGBSXWNFRBZBMK-UHFFFAOYSA-N 250.258 -0.508 50 20 CBGD O=C(CN1CSCC1=O)NNC(=O)NCc1ccco1 49182787 YOXVVTMOVABMSH-UHFFFAOYSA-N 298.324 -0.357 50 20 CBGD CC1CCN(CC(=O)NNC(=O)c2cnn(C)c2)CC1 119538025 NCVACZBZXKNXPU-UHFFFAOYSA-N 279.344 -0.087 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cc(-c2ccco2)[nH]n1 263906902 HLRSKTALDNIVRN-UHFFFAOYSA-N 277.284 -0.008 50 20 CBGD CC(C)CC(=O)NNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 268453042 MSAUNWHJFNQMFR-DTWKUNHWSA-N 286.332 -0.604 50 20 CBGD CC1(C(=O)NNC(=O)NCC(F)(F)F)COC1 281235356 NDMWVGPUZRKRED-UHFFFAOYSA-N 255.196 -0.084 50 20 CBGD COC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584948392 CCISTSZORMNDCK-SNVBAGLBSA-N 263.102 -0.525 50 20 CBGD CN(C[C@@H]1CCC[C@@H]1O)C(=O)c1cccc(B(O)O)c1 584966489 BENQXDUGAFTNOZ-AAEUAGOBSA-N 277.129 -0.401 50 20 CBGD CCC(=O)N[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584972569 AHSIYLQPKLXWJP-GFCCVEGCSA-N 290.128 -0.893 50 20 CBGD O=C(NCC1(CO)CCC1)c1ccc(B(O)O)cc1 584977790 ZZIFAEGTOVVKNV-UHFFFAOYSA-N 263.102 -0.741 50 20 CBGD CCO[C@H]1C[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584981397 FSKOLUALYRXYEL-MNOVXSKESA-N 267.065 -0.587 50 20 CBGD COCC[C@@]1(NC(=O)c2ccc(B(O)O)cc2)CCOC1 584981458 GJHZSKVUUKZEMP-CQSZACIVSA-N 293.128 -0.708 50 20 CBGD O=C(NCCN1CC=CCC1)c1cc(B(O)O)ccc1F 584986172 VQDVEJQAEDKFJX-UHFFFAOYSA-N 292.119 -0.503 50 20 CBGD C[C@@H]1C[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 585001170 SGSIWJGMDOLRPW-LDYMZIIASA-N 285.112 0.465 50 20 CBGD C[C@H](CCn1cncn1)NCc1ccc(B(O)O)cc1F 585017335 ABLVOYXWIVDAMY-SNVBAGLBSA-N 292.123 -0.335 50 20 CBGD CC(C)[C@@H](NCc1cccc(B(O)O)c1)C(=O)N(C)C 585018857 VFQQEADKXZMBDG-CYBMUJFWSA-N 278.161 -0.431 50 20 CBGD CNC(=O)C1CCC(NCc2cccc(B(O)O)c2)CC1 585019652 QKGFUGHPONOIQY-UHFFFAOYSA-N 290.172 -0.239 50 20 CBGD OC[C@@H](CNCc1cccc(B(O)O)c1)Cc1ccco1 585028978 UNIWPEXBRUEEFC-CYBMUJFWSA-N 289.140 -0.100 50 20 CBGD C[C@H]1CCN(CCNCc2ccc(B(O)O)o2)C1 585034674 SKVYEBHNYRVTGR-JTQLQIEISA-N 252.123 -0.609 50 20 CBGD OC[C@@H]1CCC[C@H](NCc2ccc(B(O)O)o2)C1 585047033 YWTFGWTXTMUCTF-ZJUUUORDSA-N 253.107 -0.400 50 20 CBGD O=C(N1CC[C@@H](B(O)O)C1)C1(n2cnnn2)CCCCC1 585063589 CTDQAZSWYJFHMB-SNVBAGLBSA-N 293.136 -0.592 50 20 CBGD Cc1ccoc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729274738 BNEGBJUSJVBEET-SSDOTTSWSA-N 289.313 -0.713 50 20 CBGD CCCNC(=O)NNC(=O)c1n[nH]c(C)c1[N+](=O)[O-] 729345439 MXNJZHCSZPHSMF-UHFFFAOYSA-N 270.249 -0.020 50 20 CBGD CC(=O)NCCNC(=O)NNc1ccc(C)nn1 730063756 SZUUVELXTBCYPX-UHFFFAOYSA-N 252.278 -0.453 50 20 CBGD O=C(NNC(=O)C1CCC1)c1cnc2n(c1=O)CCS2 732140812 KYGFQCAKKGAIJN-UHFFFAOYSA-N 294.336 -0.090 50 20 CBGD O=C(NNC(=O)[C@@H](O)c1cccnc1)c1ccc[nH]1 732257767 AXCUHAJVPREZOC-JTQLQIEISA-N 260.253 -0.096 50 20 CBGD O=C(CN1CCCC[C@@H]1C1OCCO1)NNC(=O)C1CC1 733194854 RNBSHCWMEMWNCC-LLVKDONJSA-N 297.355 -0.229 50 20 CBGD C=CCCCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 748529735 QZARIOKJHUADNI-SECBINFHSA-N 289.357 -0.140 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CC1CCC1 758038364 CZIPVFJFKMMHOE-ZETCQYMHSA-N 277.346 -0.738 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 761137232 FYYQFDVYXVYIDA-UHFFFAOYSA-N 295.255 -0.715 50 20 CBGD CC(=O)NC(C)(C)C(=O)NNc1ncc(F)cn1 762108528 YYUJDBVOORKEJX-UHFFFAOYSA-N 255.253 -0.027 50 20 CBGD COc1nccnc1NNC(=O)c1ccc(C(N)=O)cn1 764461234 VMJDVRIPNBODGB-UHFFFAOYSA-N 288.267 -0.264 50 20 CBGD Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNC(=O)CO 777782553 IDQSVCUPFUOTHC-SSDOTTSWSA-N 268.317 -0.645 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H]([C@@H](C)O)C1 780359318 SZGLUDLFAFGRCK-AEJSXWLSSA-N 257.334 -0.365 50 20 CBGD C[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)[C@@H]1CO 785515151 MQQNQWCDCUKKJA-PSASIEDQSA-N 255.318 -0.754 50 20 CBGD CSSCCNC(=O)c1cn(C)c(=O)n(C)c1=O 791095925 UTXHUSDQISTEKK-UHFFFAOYSA-N 289.382 -0.175 50 20 CBGD O=C(NNC(=O)[C@@H](O)c1ccccn1)c1ccccn1 791291324 UHJGBVWGNJLSDB-NSHDSACASA-N 272.264 -0.029 50 20 CBGD C=CCNC(=S)NNC(=O)CCCn1cncn1 798305092 IKWXVFAVIHFWAB-UHFFFAOYSA-N 268.346 -0.260 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNc1ncncc1F 817077657 JYLKIQYQSRDWSD-VIFPVBQESA-N 269.280 -0.221 50 20 CBGD CCCNC(=O)NNS(=O)(=O)C[C@H](CC)OC 817355477 OTJDUWBNOPOQQE-QMMMGPOBSA-N 267.351 -0.045 50 20 CBGD CCNC(=O)NNC(=O)[C@@H](C)n1nnnc1C(C)(C)C 822781882 LPENZIBRSSYVBG-SSDOTTSWSA-N 283.336 -0.118 50 20 CBGD C[C@H](CO)N(C)NC(=O)C(C)(C)S(=O)(=O)C1CC1 823923176 POFLQYMTMSDCHI-MRVPVSSYSA-N 278.374 -0.314 50 20 CBGD CC(C)NC(=O)CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 825566710 NZIZCWGBVVFHLE-DTWKUNHWSA-N 286.332 -0.734 50 20 CBGD CO[C@@H]1COC[C@H]1NC(=O)NNC(=O)C(C)(C)C 825964017 HQGYLLDSMDNOKD-HTQZYQBOSA-N 259.306 -0.223 50 20 CBGD CC(C)C1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)COC1 827015064 CUFHSDBMYVDBHQ-MRVPVSSYSA-N 269.301 -0.915 50 20 CBGD Cc1cccnc1NNC(=O)C1=NN2CCCN=C2N1 834348771 RXPQGEKIHGOOJK-UHFFFAOYSA-N 273.300 -0.188 50 20 CBGD O=C(NNc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)N1 846636369 KWEQUVFWJVLWMT-SSDOTTSWSA-N 290.732 -0.130 50 20 CBGD COCC1(NCC(=O)NNC(=O)C(C)C)CCOCC1 852090671 QZTRLDPCJMZIIX-UHFFFAOYSA-N 287.360 -0.425 50 20 CBGD Cn1c(=NNC(=O)C2(O)CNC2)sc2ccccc21 852800852 TUGPTCRZOHJPBC-UHFFFAOYSA-N 278.337 -0.494 50 20 CBGD Cc1nc(CC(=O)NNC(=O)c2cccn2C)n[nH]1 854287436 AHJHJDNMAZESQN-UHFFFAOYSA-N 262.273 -0.545 50 20 CBGD CCCN1CCC[C@@H]1C(=O)NNC(=O)N1CCN(C)CC1 854379317 WXKFNVJMNQYXOD-GFCCVEGCSA-N 297.403 -0.151 50 20 CBGD O=C(NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1cc[nH]n1 855359082 DXHTXPHMBMQSBC-SSDOTTSWSA-N 277.284 -0.818 50 20 CBGD CC[C@H](C)NC(=O)CCNC(=O)NNC(=O)c1cn[nH]c1 858155154 BYNUAYCHBULFTQ-QMMMGPOBSA-N 296.331 -0.342 50 20 CBGD O=C(NCCOC[C@H]1CCCO1)NNC(=O)c1cn[nH]c1 858224280 AHRNBKXKKQBGCJ-SNVBAGLBSA-N 297.315 -0.451 50 20 CBGD O=C(NC[C@H]1COCCN1)NNc1ncccn1 861680827 LCXHEXZJNHZFJK-QMMMGPOBSA-N 252.278 -0.909 50 20 CBGD CCOC1CC(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 862462263 PBAHSHAPIGOXKC-HACHORDNSA-N 269.301 -0.773 50 20 CBGD Cc1n[nH]c(C)c1CC(=O)NNC(=O)c1cn[nH]c1 862473498 SNKIGTHUJQPEMV-UHFFFAOYSA-N 262.273 -0.247 50 20 CBGD CCOC(=O)C(C)(C)ONC(=O)c1cccc(B(O)O)c1 863886878 PLSRVABMPOCJPC-UHFFFAOYSA-N 295.100 -0.631 50 20 CBGD O=C(NC[C@H]1CCCOC1)c1cc(B(O)O)ccc1F 864953877 IAPXACKPJFUXIW-SECBINFHSA-N 281.092 -0.338 50 20 CBGD O=C(N[C@H]1CCN(CC2CC2)C1)c1cccc(B(O)O)c1 865605758 ZAQKPSLEGSVZRQ-AWEZNQCLSA-N 288.156 -0.420 50 20 CBGD N#Cc1cccc(NNC(=O)CN2CCNC(=O)C2)c1 901161633 FVYWORFYJHGYKT-UHFFFAOYSA-N 273.296 -0.567 50 20 CBGD COC(=O)c1ccc(C(=O)NN(C)C[C@H](C)O)n1C 910145871 XNBKUOMLVOHMTB-QMMMGPOBSA-N 269.301 -0.231 50 20 CBGD C[C@H](O)CN(C)NC(=O)CCOC1CCOCC1 910165356 GUNUZYLBFGKDEN-JTQLQIEISA-N 260.334 -0.084 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)Cc2ccncc2)CN1 1318895154 ALJATQWVKLXUMS-JTQLQIEISA-N 276.296 -0.702 50 20 CBGD Cn1ncc([N+](=O)[O-])c1C(=O)NNC(=O)c1ccccn1 1320434919 MMYVAJZDXHQHNB-UHFFFAOYSA-N 290.239 -0.202 50 20 CBGD CN1N=C(C(=O)NNC(=O)NCC(F)(F)F)CCC1=O 1321308500 BMXBGKUFQRCMMQ-UHFFFAOYSA-N 295.221 -0.513 50 20 CBGD C[C@@H](C(=O)NNC(=O)Cc1cccnc1)n1cncn1 1323247980 FRKSNKXBZMKRAU-VIFPVBQESA-N 274.284 -0.376 50 20 CBGD Cn1cncc1CCC(=O)NNC(=O)C(C)(C)O 1326849126 KPOSKPGPFUETPX-UHFFFAOYSA-N 254.290 -0.729 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CCC(O)(CO)CC1 1328480775 PNVONMCUMKVDFK-CSKARUKUSA-N 254.286 -0.224 50 20 CBGD CC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](B(O)O)C2)C1 1329670912 GHCLYXKPXGGKAS-GHMZBOCLSA-N 268.122 -0.680 50 20 CBGD Cn1ccc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 1330029188 PNJAXPNBVDHFFX-SECBINFHSA-N 279.300 -0.866 50 20 CBGD O=C(Cc1ccc(Cl)cn1)NNC(=O)[C@H]1CCC(=O)N1 1331613324 APIYBSCJCKILNO-SECBINFHSA-N 296.714 -0.297 50 20 CBGD C[C@@H](O)c1cn(CC(=O)NNc2ncc(Cl)cn2)nn1 1351279856 VRTUUHCMSHHUNC-ZCFIWIBFSA-N 297.706 -0.082 50 20 CBGD C[C@@]1(CNC(=O)CNCCN)C[C@H]1Br 1354356372 DOIZUKRHKVNWND-APPZFPTMSA-N 264.167 -0.176 50 20 CBGD C[C@]1(C(=O)NNC(=O)CC(F)(F)F)C[C@H](O)CN1 1573602044 RUFNHXXLCGFOOL-YLWLKBPMSA-N 269.223 -0.801 50 20 CBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)c1cnsn1 1605023033 ISHSQDGPRTVRCT-MOFOKWOHSA-N 270.270 -0.590 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cccn1[C@H](C)C(=O)O 1606470880 LWVYPFWWAGLDOS-MRVPVSSYSA-N 296.283 -0.060 50 20 CBGD O=C(NC[C@H](F)C(=O)O)NNc1nc2ccccn2n1 1608456674 IRURYLOJGJZKJU-LURJTMIESA-N 282.235 -0.222 50 20 CBGD O=C(C(O)O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](F)Cl 1847447106 QYOYHGCNDJLEDZ-LYFYHCNISA-N 280.683 -0.967 50 20 CBGD O=C(NNC(=O)c1ccccc1O)c1ccc(=O)[nH]n1 45574553 IWSKCLQNGGMFQB-UHFFFAOYSA-N 274.236 -0.450 50 20 CBGD Cc1cccc(OCC(=O)NNC(=O)c2cn[nH]n2)c1 80199066 YDJIDTLMLSDGEQ-UHFFFAOYSA-N 275.268 -0.047 50 20 CBGD CC(=O)Nc1ccc(C(=O)NNC(=O)CN(C)C)cc1 113428146 SZWWPCPHIOVQOH-UHFFFAOYSA-N 278.312 -0.032 50 20 CBGD CC(C)(C)N(CC(N)=O)CC(=O)NNC(=O)C1CC1 131140564 HHANGDGRYYEYCL-UHFFFAOYSA-N 270.333 -0.870 50 20 CBGD CC(=O)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1 146644609 GFAUZMQNOXSZBS-UHFFFAOYSA-N 259.243 -0.076 50 20 CBGD COCCNC(=O)CNS(=O)(=O)CBr 159646533 IWZWLHBOBPLNCD-UHFFFAOYSA-N 289.151 -0.979 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 170796396 VKCNUOHLNDJANT-JTQLQIEISA-N 296.371 -0.514 50 20 CBGD CO[C@@H]1COC[C@H]1NC(=O)/C(C#N)=C\c1cnn(C)c1 491134244 RFHDBCOJGBQYPE-VZAOXQLQSA-N 276.296 -0.143 50 20 CBGD CN(C)CC(C)(C)CNC(=O)c1cccc(B(O)O)c1 584925996 WLCFYKUWMOEVNZ-UHFFFAOYSA-N 278.161 -0.316 50 20 CBGD O=C(NCCCCn1cnnc1)c1ccc(B(O)O)cc1 584954316 FFTDBINJUXRMPO-UHFFFAOYSA-N 288.116 -0.832 50 20 CBGD COC[C@@](C)(C#N)NC(=O)c1cc(B(O)O)ccc1F 584961875 BTOQZCZHJGCJHO-GFCCVEGCSA-N 280.064 -0.836 50 20 CBGD CCOC[C@H]1CN(C(=O)c2cccc(B(O)O)c2)CCO1 585009793 CYFRRGMSPWAIMZ-CYBMUJFWSA-N 293.128 -0.756 50 20 CBGD CN1CCCC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)C1 585010390 PKPDNLCIJSWQJL-LBPRGKRZSA-N 290.172 -0.172 50 20 CBGD OB(O)c1ccc(CNCCCn2ccnc2)cc1 585013959 DKZOVBOXUNTXQN-UHFFFAOYSA-N 259.118 -0.257 50 20 CBGD OB(O)c1ccc(CNCCCCc2cn[nH]c2)o1 585026098 IOFYAHOABBEUIV-UHFFFAOYSA-N 263.106 -0.205 50 20 CBGD CN(C)C1(CNCc2ccc(B(O)O)cc2)CCC1 585037220 URXMCVWRSMLNEQ-UHFFFAOYSA-N 262.162 -0.060 50 20 CBGD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCB(O)O)c1C 585054109 IFGDOQUQZITYSN-UHFFFAOYSA-N 288.090 -0.498 50 20 CBGD CC(C)c1ncc(Cl)c(C(=O)NCB(O)O)n1 585061911 MECSXXCWRSEEDU-UHFFFAOYSA-N 257.486 -0.005 50 20 CBGD Cc1cc(C(=O)NCB(O)O)nc(C(F)(F)F)n1 585062640 LEDBHWOPIFFTSP-UHFFFAOYSA-N 262.984 -0.454 50 20 CBGD Cn1c(O)nc2ccc(C(=O)N3CC[C@H](B(O)O)C3)cc21 585066903 STQKKVSFSUJENO-VIFPVBQESA-N 289.100 -0.032 50 20 CBGD O=C(NN=Cc1ccc(O)cc1O)[C@@H]1CCS(=O)(=O)C1 730579061 YSYBRSGMDBYVKR-SECBINFHSA-N 298.320 -0.017 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cnc2sccn2c1=O 733359228 ISXVHSVGYDEIJP-UHFFFAOYSA-N 295.324 -0.921 50 20 CBGD C[C@@H](C(=O)NNC(=O)C(=O)NC1CC1)c1ccco1 741662126 KIHGYCVDNJJBIB-SSDOTTSWSA-N 265.269 -0.191 50 20 CBGD CN1CCO[C@@H](C(=O)NNC(=O)C2CCCC2)C1 746120918 DPKRLDNOPAATRM-SNVBAGLBSA-N 255.318 -0.345 50 20 CBGD CC(C)CCC(=O)NNC(=O)c1nc(O)nc(O)c1N 746207705 UHKCOUJBWRJDNO-UHFFFAOYSA-N 283.288 -0.333 50 20 CBGD O=C(CO)NNC(=O)c1ccnc(OCC(F)(F)F)c1 753439675 SBXUECYAMYRMFU-UHFFFAOYSA-N 293.201 -0.224 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1cccnn1 757660671 GNTVWAPEJNZFCL-QMMMGPOBSA-N 283.288 -0.319 50 20 CBGD CCC[C@@H](C)CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758047094 VMSADBLDJCWFIB-BDAKNGLRSA-N 293.389 -0.102 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCOC[C@H]1OCC 760131240 KKPZBTXSLWAMAC-NXEZZACHSA-N 289.332 -0.453 50 20 CBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)C(C)C 761122531 YAANRBIXQFTZTJ-UHFFFAOYSA-N 279.362 -0.491 50 20 CBGD CN(NC(=O)C[C@@H](NC(N)=O)c1cccs1)C(N)=O 770438369 RRWAOENWAMYVNA-ZCFIWIBFSA-N 285.329 -0.111 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(F)nc1 777440746 KQEOXKYGYZYINX-ZETCQYMHSA-N 288.304 -0.392 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cccn1CC(=O)OC 779821497 YCLKUELMXXMAFL-UHFFFAOYSA-N 296.283 -0.533 50 20 CBGD Cn1cc([C@H](O)C(=O)NNC(=O)CC2CC2)cn1 819109492 FQRRFYDLQGXXGT-JTQLQIEISA-N 252.274 -0.599 50 20 CBGD C[C@H](CO)N(C)NC(=O)/C=C1/SCC(=O)N1C 823913093 NYEGMVWFPFMNLF-JTACMZLOSA-N 259.331 -0.623 50 20 CBGD Cc1cnc(COCC(=O)NN(C)[C@H](C)CO)o1 823922589 LEAXETDMVGCOHC-MRVPVSSYSA-N 257.290 -0.157 50 20 CBGD O=C(CO)NN=Cc1cc(-c2nn[nH]n2)cs1 826415189 VONOZYXFMXQYCR-UHFFFAOYSA-N 252.259 -0.629 50 20 CBGD CC(=O)NCCN(C)CC(=O)NNC(=O)c1ccccc1 830135925 NGAHEPRTDISJQA-UHFFFAOYSA-N 292.339 -0.485 50 20 CBGD O=C(CN1CCC([C@H]2CCNC2)CC1)NNC(=O)C1CC1 843385339 BIDDQMABBQSISR-ZDUSSCGKSA-N 294.399 -0.135 50 20 CBGD CCOC(=O)C1(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1 843662574 RRAFIRRNSQZPPE-DTWKUNHWSA-N 284.312 -0.098 50 20 CBGD CN1CCN(C(=O)NN=Cc2nnn(C(C)(C)C)n2)CC1 853337000 AZYWODYERRCAQK-UHFFFAOYSA-N 294.363 -0.281 50 20 CBGD CCC[C@H](C(=O)NNc1ccncn1)S(N)(=O)=O 854747295 OGBATIKIOAZXEE-SSDOTTSWSA-N 273.318 -0.623 50 20 CBGD COC[C@@H](OC)C(=O)NNC(=S)N[C@@H](C)C1CC1 855094697 FLSJXJKBLHHUJS-IONNQARKSA-N 275.374 -0.058 50 20 CBGD CC[C@]1(C)CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 858699687 WLPGPKMNXXSYTA-TVQRCGJNSA-N 298.343 -0.493 50 20 CBGD C=CC(=O)N(C)CC(=O)NNC(=O)OCC(F)(F)F 862215069 BXCZJQVPTALAIV-UHFFFAOYSA-N 283.206 -0.050 50 20 CBGD CSCC[C@H](O)C(=O)NNC(=O)c1cn[nH]c1 862472789 SBIMCCPDKMHGQA-ZETCQYMHSA-N 258.303 -0.715 50 20 CBGD Cc1cnc2nc(C(=O)NN(C)C[C@@H](C)O)nn2c1 910139168 PUKQYJPWDAGSJO-MRVPVSSYSA-N 264.289 -0.610 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 910176175 ZPZQZVKWNQMDTB-HOTUBEGUSA-N 287.385 -0.216 50 20 CBGD O=C(NNC(=O)c1cccc2c1OCO2)C(=O)NC1CC1 917360938 CKFLEODUVUEPJY-UHFFFAOYSA-N 291.263 -0.545 50 20 CBGD COC(=O)NCCCC(=O)NNc1nccn(C)c1=O 1252518459 JCKUTFTZTLKBJM-UHFFFAOYSA-N 283.288 -0.640 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)nn1 1252850654 AADGTRRRBRYERO-BKPPORCPSA-N 277.284 -0.414 50 20 CBGD CCc1noc(C)c1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1261830471 YACKFWOGQGNVSN-MRVPVSSYSA-N 280.284 -0.415 50 20 CBGD CC(=O)NNC(=O)Cc1cc(=O)n(CC(C)C)[nH]1 1262221900 CUHFKZMUIPTUGB-UHFFFAOYSA-N 254.290 -0.458 50 20 CBGD O=C(Cc1cc(O)nc(O)n1)NN=Cc1cc[nH]n1 1319588109 MEVFHLJIVKJZLE-UHFFFAOYSA-N 262.229 -0.696 50 20 CBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccnn1C 1320519995 FHHADQHXHQRCIS-ZETCQYMHSA-N 267.289 -0.448 50 20 CBGD COC(=O)NNC(=O)C(=O)Nc1ccc(C)nc1 1321185026 NDBYRKQTOBJRAN-UHFFFAOYSA-N 252.230 -0.284 50 20 CBGD O=C(CO[C@H]1CCOC1)NNc1ncnc2[nH]cnc12 1322301485 UFBQAAPPZGVGLB-ZETCQYMHSA-N 278.272 -0.399 50 20 CBGD CN(C)C(=O)CNC(=O)C(=O)NNc1ncccc1Cl 1324316162 KAVOLFWBZXHVCP-UHFFFAOYSA-N 299.718 -0.618 50 20 CBGD O=C(NNS(=O)(=O)C[C@@H]1CCCO1)c1cc[nH]n1 1327887572 CRLAUBDXVRNDRQ-ZETCQYMHSA-N 274.302 -0.847 50 20 CBGD C[C@@H](CO)N(C)NC(=O)COCc1ccncc1 1329806718 NQLUWZBSKWYIJQ-JTQLQIEISA-N 253.302 -0.058 50 20 CBGD COC(=O)N(C)NC(=O)NC[C@H]1CC(=O)N(C2CC2)C1 1330824106 KZXZLNUMDHGPHE-MRVPVSSYSA-N 284.316 -0.090 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCn1cncn1 1332068668 HBUWTNNDQUERLL-BDAKNGLRSA-N 282.304 -0.967 50 20 CBGD CC(=O)N(C)CC(=O)NNC(=S)Nc1ccccn1 1332528178 NQEOGKJJMPVPJU-UHFFFAOYSA-N 281.341 -0.123 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)N1 1335583419 QPEMEAWGUDEAPJ-UKKRHICBSA-N 292.339 -0.192 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](S(C)(=O)=O)C1 1344611913 RVHDONMJONTLQD-IUCAKERBSA-N 291.373 -0.949 50 20 CBGD CCn1nc(C(=O)NNC(=O)CN)cc1C1CC1 1578359626 RUKMXCCEHWMLIG-UHFFFAOYSA-N 251.290 -0.500 50 20 CBGD O=C1N[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CO1 1593410495 MEXTVWSZUCCOTC-MRVPVSSYSA-N 289.255 -0.582 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C12CC(C(=O)O)(C1)C2 1594712215 BGHOTMFVOJGGLS-VANPFNHASA-N 298.295 -0.270 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1cccc(CC(=O)O)n1 1598196406 FYUKOAAJWNVZJM-UHFFFAOYSA-N 295.299 -0.577 50 20 CBGD COC(=O)C(=O)NN=Cc1cc(-c2nn[nH]n2)cs1 1604900550 RHMPMJRDTDZGLE-UHFFFAOYSA-N 280.269 -0.449 50 20 CBGD O=C(O)c1cccc(C(=O)NNC(=O)c2ncon2)n1 1608929315 VYVMCSPTDOGYJI-UHFFFAOYSA-N 277.196 -0.762 50 20 CBGD CCN(CC)CCNC(=O)NNC(=O)c1cnn(C)c1 118052432 BEPWKQOERZWXTK-UHFFFAOYSA-N 282.348 -0.294 50 20 CBGD Cc1nc2ccnn2c(C)c1C(=O)NNC(=O)C(C)(C)O 277926188 JFAYBIQLUUUXBD-UHFFFAOYSA-N 291.311 -0.122 50 20 CBGD COC(=O)NNC(=O)Nc1cc(N(C)C)ncn1 279245092 HMEBULLGEYBIFF-UHFFFAOYSA-N 254.250 -0.065 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H]1CC[C@H]1C(=O)OC 285709793 DTPXBSPLFXQGJW-HTQZYQBOSA-N 257.290 -0.122 50 20 CBGD COC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCO1 292083465 GAMQKPUQEOUGSU-YIZRAAEISA-N 270.285 -0.488 50 20 CBGD C[C@H]1CN(C)C[C@H]1NC(=O)c1cccc(B(O)O)c1 584958958 WFAKJQBAEISQRC-JOYOIKCWSA-N 262.118 -0.954 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]([C@H]2CCOC2)C1 584965093 LHNAZQOILSZUFM-STQMWFEESA-N 289.140 -0.135 50 20 CBGD COC[C@@H](C)[C@@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584992869 SARKKOFTAYGUDF-RKDXNWHRSA-N 283.108 -0.094 50 20 CBGD CC[C@@H]1CN(C)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584995206 SBVKXJVOBWZCLC-LLVKDONJSA-N 294.135 -0.328 50 20 CBGD CN(C)C1(CNC(=O)c2cccc(B(O)O)c2)CC1 585000391 MFILLEJIICAFTL-UHFFFAOYSA-N 262.118 -0.810 50 20 CBGD C[C@@H](CO[C@@H]1CCOC1)NCc1ccccc1B(O)O 585030871 KKGFVPBGNUIVGW-WCQYABFASA-N 279.145 -0.350 50 20 CBGD CC[C@@](C)(CNCc1ccc(B(O)O)o1)[C@@H](C)O 585031222 ATQQGBHXLGXJBX-SKDRFNHKSA-N 255.123 -0.154 50 20 CBGD OB(O)c1ccccc1CN[C@@H]1CCO[C@]2(CCOC2)C1 585035773 XYECCRXLHPYGHC-UKRRQHHQSA-N 291.156 -0.206 50 20 CBGD O=S(=O)(NCB(O)O)c1ccccc1OC(F)(F)F 585054185 JAKBPIJWBVJMDR-UHFFFAOYSA-N 299.035 -0.125 50 20 CBGD O=C(NN=Cc1ccc[nH]1)[C@H]1CCS(=O)(=O)C1 730576507 RDTJNBLNBIZYNV-QMMMGPOBSA-N 255.299 -0.101 50 20 CBGD N#Cc1ccc(C(=O)NNC(=O)C2(C(N)=O)CC2)cc1 731623805 XAAKMUFWMPZQEX-UHFFFAOYSA-N 272.264 -0.415 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H](C)CS(=O)(=O)CC 733660853 XQONGNSIQQQOTM-QMMMGPOBSA-N 295.361 -0.824 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc(-n2nccn2)cc1 755913826 BOKYXXNOXQDOPT-UHFFFAOYSA-N 276.256 -0.588 50 20 CBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)c1c[nH]nc1C 759786778 ZHVATJVKMNXXPF-MRVPVSSYSA-N 282.304 -0.684 50 20 CBGD C[C@@H]1CC(=O)NCCN1CC(=O)NNC(=O)C(C)(C)C 761059144 ZIGGQNZBTFWHLP-SECBINFHSA-N 284.360 -0.610 50 20 CBGD C[C@H]1C[C@H](C(=O)NNC(=O)CN(C)C)CCC1=O 764106210 RWKKDRSGPPMEJI-DTWKUNHWSA-N 255.318 -0.299 50 20 CBGD O=C(NC[C@@H]1CCCS1(=O)=O)NNc1ncccn1 767173583 YPLUKEOJUNRAQE-QMMMGPOBSA-N 285.329 -0.320 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C/c1cnn(C)c1 771950595 ZJXISDMDJYRLSN-VUHVRTRXSA-N 294.311 -0.078 50 20 CBGD Cc1noc(C)c1CC(=O)NNC(=O)C(C)(C)O 787947530 SKGKCSBFNQLFTK-UHFFFAOYSA-N 255.274 -0.248 50 20 CBGD COC[C@@](C)(O)C(=O)NNC(=O)c1cccc(C)n1 794084139 NYPZWJYUPCFPIW-GFCCVEGCSA-N 267.285 -0.452 50 20 CBGD CCOC(=O)/C(C#N)=C/NCCn1cnc(C#N)n1 794736679 PYEKEWYSZOEVDI-VQHVLOKHSA-N 260.257 -0.290 50 20 CBGD COC(=O)COCC(=O)NNc1ncncc1Cl 807324012 YIEUNMJOFPSFSH-UHFFFAOYSA-N 274.664 -0.237 50 20 CBGD COc1ccc2c(c1OC)OCC2=NNC(=O)CO 814896449 YDASGSOMOHWCPB-UHFFFAOYSA-N 266.253 -0.091 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)[C@@H]1CCCCO1 816886810 HXZANSITRIABPC-ZJUUUORDSA-N 293.327 -0.443 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1ccc(C(N)=O)s1 823964469 AIRYTVCDOSKEKJ-LURJTMIESA-N 257.315 -0.196 50 20 CBGD CC(C)(C)NCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 827015015 BLQQOEGWXBWFHR-MRVPVSSYSA-N 270.333 -0.809 50 20 CBGD CC(=O)N[C@H](CCC(C)C)C(=O)NN(C)C(N)=O 831519302 MDGNGHMCKNLPJW-SECBINFHSA-N 258.322 -0.031 50 20 CBGD COCC(=O)NN[C@@H](C(=O)O)c1ccc(C#N)cc1 831541329 UUAGVOSURUOSTN-LLVKDONJSA-N 263.253 -0.049 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccnn1C 831661795 NQKVNNGAZNCWFN-JGVFFNPUSA-N 267.289 -0.002 50 20 CBGD CC(C)C(=O)NNC(=O)C(F)(F)C(=O)N1CCOCC1 836183191 KPEHBCQVWKMXJH-UHFFFAOYSA-N 293.270 -0.716 50 20 CBGD CC(=O)C1(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1 843970333 DUHWSVLQINRUHH-VXNVDRBHSA-N 254.286 -0.072 50 20 CBGD CCC(F)(F)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 854295253 YLDUPSWZCLHHIM-LURJTMIESA-N 284.284 -0.386 50 20 CBGD CN(C)[C@H](C(=O)NN=c1cc[nH]cc1)c1cncn1C 857482995 LOFRDJFJYVPYIA-LBPRGKRZSA-N 274.328 -0.017 50 20 CBGD O=C(NNC(=O)c1ncccn1)c1cn(C2CC2)nn1 862005921 MOVHODOQSXRRIM-UHFFFAOYSA-N 273.256 -0.522 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccnc(C3CC3)n2)N1 862455961 SZTPGSXBTJPXDC-MRVPVSSYSA-N 289.295 -0.606 50 20 CBGD C[C@@H]1CSCC1=NNC(=O)CS(C)(=O)=O 863186693 IGHDGUDFXKNEJC-ZCFIWIBFSA-N 250.345 -0.114 50 20 CBGD COC[C@H](C)C(C)=NNC(=O)CS(C)(=O)=O 863187191 BECANNOUSIUVHW-ZETCQYMHSA-N 250.320 -0.194 50 20 CBGD CC[C@H]1CC[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)O1 863462546 RBLGQWSGONVFHP-YUMQZZPRSA-N 278.330 -0.864 50 20 CBGD CC1(C)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)C(=O)O1 863878005 MHVSRNGZFKVAIU-SNVBAGLBSA-N 277.085 -0.810 50 20 CBGD CON1CCC(NC(=O)c2ccc(B(O)O)cc2)CC1 863884272 FTPKBMPGKMSWCV-UHFFFAOYSA-N 278.117 -0.878 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 871595439 FNDZLKBTJCTDCE-JTQLQIEISA-N 277.280 -0.265 50 20 CBGD C=C(CBr)CN1C[C@@H](C(N)=O)[C@@H](C(N)=O)C1 878974076 UKPHWMUVXACZNJ-OCAPTIKFSA-N 290.161 -0.544 50 20 CBGD C#CCCCC(=O)NNC(=O)[C@@H](C)NC(=O)CC 887142167 YDOCZFMEYWPAES-SECBINFHSA-N 253.302 -0.148 50 20 CBGD C#CCCCC(=O)NNC(=O)C1(C(=O)NC)CCC1 887142849 CHWGXZKOPPILNY-UHFFFAOYSA-N 265.313 -0.146 50 20 CBGD O=C(CO)NNC(=O)Cn1nc(C(F)F)cc1C(F)F 897605577 GKTULBZIHACSQE-UHFFFAOYSA-N 298.196 -0.102 50 20 CBGD Cn1cc(C(=O)NNC(=O)OC(C)(C)C)n(C)c1=O 899926653 WKTFLQSPYNWKFL-UHFFFAOYSA-N 270.289 -0.107 50 20 CBGD CN1C[C@H](C(=O)NNC(=O)C2CCCC2)CC1=O 914843783 AGWDUZKLZXBEKX-SECBINFHSA-N 253.302 -0.198 50 20 CBGD Cn1cc(S(=O)(=O)NNC(=O)C(C)(C)C)cn1 917743919 SGEOOFBUXXNHRK-UHFFFAOYSA-N 260.319 -0.224 50 20 CBGD CCNC(=O)NNC(=O)[C@@](C)(NC(C)=O)C(C)C 930731486 BJRJRAPZMWDCDO-NSHDSACASA-N 258.322 -0.113 50 20 CBGD C[S@](=O)CCN1CCN(C(=O)CCl)CC1 1116434442 WLOIZRFHUUYDDA-HNNXBMFYSA-N 252.767 -0.252 50 20 CBGD C[C@H](O)CN(C)NC(=O)CCCN1C(=O)CN(C)C1=O 1262178316 XHRTVSNLVHUIKS-VIFPVBQESA-N 286.332 -0.996 50 20 CBGD CCn1cc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)cn1 1318415680 WUZCKFASVHBRDI-JTQLQIEISA-N 284.341 -0.212 50 20 CBGD COCC(=O)NCCC(=O)NNc1cc(C)nc(C)n1 1318624259 JKRZXEVUOBNGIT-UHFFFAOYSA-N 281.316 -0.311 50 20 CBGD O=C(CO[C@H]1CCOC1)NNC(=O)c1ccccn1 1319056348 WBMGEYRVXDEGPP-VIFPVBQESA-N 265.269 -0.352 50 20 CBGD CC(C)NC(=O)NNC(=O)c1c([N+](=O)[O-])cnn1C 1319756345 MZURPIRKEQTHDH-UHFFFAOYSA-N 270.249 -0.319 50 20 CBGD COCc1cccc(NC(=O)C(=O)NNC(C)=O)c1 1320510457 MBZMMMUWAGJBFP-UHFFFAOYSA-N 265.269 -0.061 50 20 CBGD Cc1csc(NC(=O)C(=O)NNC(=O)CN(C)C)n1 1325516502 RRSRKKAQBWTKRZ-UHFFFAOYSA-N 285.329 -0.901 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NOCCC(F)(F)F)N1 1332649375 GBXWBCWBRYBLAQ-RXMQYKEDSA-N 298.221 -0.521 50 20 CBGD CC(C)C(=O)NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1335398957 ZUNGRHWLJJQFJN-LPEHRKFASA-N 256.302 -0.159 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@@H](F)CN1)c1cccnc1 1574333716 ILKNHUSLWKAOGJ-RKDXNWHRSA-N 252.249 -0.457 50 20 CBGD C[C@@]1(C(=O)NNC(=O)Cc2ccccc2O)CNCCO1 1576351105 WJPRPCCSQRHBOO-AWEZNQCLSA-N 293.323 -0.539 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@H]1COCCO1 1593165095 UGQYLOWTIQVJAH-MRVPVSSYSA-N 291.271 -0.880 50 20 CBGD O=C(NNC(=O)[C@H](C(=O)O)C1CC1)C1CCOCC1 1594779862 YQDCAGKBKNDAFE-SECBINFHSA-N 270.285 -0.329 50 20 CBGD O=C(O)Cn1ccc(NC(=O)NN=c2cc[nH]cc2)n1 1602165702 VXLSXDFKENGHKD-UHFFFAOYSA-N 276.256 -0.067 50 20 CBGD CCNC(=O)NNC(=O)c1ccc(S(=O)(=O)NC)o1 49164877 LEBVYSNTBBZARS-UHFFFAOYSA-N 290.301 -0.848 50 20 CBGD COc1ccc(NC(=O)NNC(=O)C(N)=O)cc1 139179024 LLOVPOUMEHMTKG-UHFFFAOYSA-N 252.230 -0.667 50 20 CBGD O=C1OCC[C@@H]1NS(=O)(=O)CBr 232468122 YUWWDLCMCFXRRD-BYPYZUCNSA-N 258.093 -0.426 50 20 CBGD Cc1cc(C(=O)NNC(=O)CN(C)C)c(C)n1C 272285131 DMRPENWAAWUVBM-UHFFFAOYSA-N 252.318 -0.035 50 20 CBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)CCn2ccnc2)O1 293925644 NRYDFRBDUUDBFL-UWVGGRQHSA-N 266.301 -0.012 50 20 CBGD CCO[C@H]1C[C@H]1C(=O)NNC(=O)C(=O)N1CCCC1 299531407 ZNSUPNZTLZJMHS-BDAKNGLRSA-N 269.301 -0.819 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1NC(=O)O[C@H]1C 496973599 IYCHSDPNNGUEPB-NTSWFWBYSA-N 258.303 -0.835 50 20 CBGD COC(=O)N(C)NC(=O)c1cccc(C(N)=O)n1 497290912 ZDHNCAULUNYUOH-UHFFFAOYSA-N 252.230 -0.477 50 20 CBGD CN1CCC[C@H](CN(C)C(=O)c2ccc(B(O)O)cc2)C1 584947306 LBZKPXVMMCASSP-LBPRGKRZSA-N 290.172 -0.220 50 20 CBGD O=C(NC[C@@H](O)C(F)(F)F)c1ccc(B(O)O)c(F)c1 584960180 JDFIKVBLCKSCGO-MRVPVSSYSA-N 294.997 -0.842 50 20 CBGD CC(C)(C)C[C@H](CO)NC(=O)c1cccc(B(O)O)c1 584966137 ZGOJIKHDXPNYMD-GFCCVEGCSA-N 279.145 -0.107 50 20 CBGD O=C(N[C@@H](CO)CC1CC1)c1ccc(B(O)O)cc1 584970365 XQDLHTPRVTVMKM-GFCCVEGCSA-N 263.102 -0.743 50 20 CBGD C[C@@H](O)C[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 584972899 IZHUZUVISYAZEW-RKDXNWHRSA-N 251.091 -0.744 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](n2cccn2)C1 584992659 QWSXLBWGWKQRNU-CYBMUJFWSA-N 285.112 -0.350 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1C[C@H]2C[C@H](CO)[C@H]2C1 585010899 ZXZMFNDKTKICSF-WZRBSPASSA-N 275.113 -0.933 50 20 CBGD CN(C)C(=O)[C@@H]1CCC[C@H](NCc2ccc(B(O)O)o2)C1 585030211 XWELEHVMLQAAOV-MNOVXSKESA-N 294.160 -0.304 50 20 CBGD Cc1nnc(CCNCc2ccccc2B(O)O)s1 585041775 UZVXYYIGSOOXEF-UHFFFAOYSA-N 277.158 -0.141 50 20 CBGD OC[C@H]1CCC[C@H](NCc2ccc(B(O)O)o2)C1 585047031 YWTFGWTXTMUCTF-UWVGGRQHSA-N 253.107 -0.400 50 20 CBGD NC(=O)CSCC(=O)NNC(=O)C1CCCC1 735649165 GNLBDZVBBKNMDF-UHFFFAOYSA-N 259.331 -0.458 50 20 CBGD CC[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)N(CC)CC 746185037 FJDXYWRJNDNPKB-LLVKDONJSA-N 298.387 -0.123 50 20 CBGD O=C(CO)NNC(=O)Cc1cc(F)cc2c1OCOC2 753445023 DDFCZDPEMODDJW-UHFFFAOYSA-N 284.243 -0.626 50 20 CBGD COc1cc(NC(=O)NNC(=O)c2cc(C)[nH]n2)ncn1 757759297 SSVAROFSUIVNES-UHFFFAOYSA-N 291.271 -0.017 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCN2C(=O)CC[C@H]2C1 766272682 RIRNWDSXUXRETD-UWVGGRQHSA-N 282.344 -0.761 50 20 CBGD C#CCCN1CCN(CC(=O)NNC(=O)C(C)(C)C)CC1 776594517 KPBKGDRSEMTXEY-UHFFFAOYSA-N 294.399 -0.179 50 20 CBGD O=C(NNC(=O)C12CCC(CC1)C2)C(=O)NC1CC1 785068559 ZWWYELNJUHTNGU-UHFFFAOYSA-N 265.313 -0.007 50 20 CBGD Cn1cc(CC(=O)NNC(=O)N=c2cc[nH]cc2)cn1 802031166 DKHRPESPWKGYHE-UHFFFAOYSA-N 274.284 -0.368 50 20 CBGD O=C(CCN1CCCC1=O)NNC(=O)N=c1cc[nH]cc1 802032351 QQAYNMYDUAQFDZ-UHFFFAOYSA-N 291.311 -0.331 50 20 CBGD N#Cc1ccc(NC(=O)NNC(=O)CO)cc1F 810252206 AFPJVONFUFMQEW-UHFFFAOYSA-N 252.205 -0.158 50 20 CBGD COC[C@H](C)[C@@H](C)C(=O)NNc1ccc(C(N)=O)nn1 812532256 MVQFQKUGMRSTAN-JGVFFNPUSA-N 281.316 -0.063 50 20 CBGD C#C[C@H](C)NC(=O)NNC(=O)[C@H](C)OCCOC 820426910 AWXHKVFMUZPSGZ-IUCAKERBSA-N 257.290 -0.610 50 20 CBGD CCCCNC(=O)NNC(=O)C[C@@H]1CCC(=O)N1 823755794 LKXQZFNZJROOBS-QMMMGPOBSA-N 256.306 -0.214 50 20 CBGD CCN(CCO)NC(=O)CNC(=O)OCC(F)(F)F 823855745 FAAOPARDBUXGJR-UHFFFAOYSA-N 287.238 -0.380 50 20 CBGD C[C@H](CO)N(C)NC(=O)C(=O)NCc1ccc(F)cc1 823952951 VRZDVTRJKGEZDU-SECBINFHSA-N 283.303 -0.214 50 20 CBGD O=C(NNC(=O)c1nc[nH]n1)c1cccc(-c2nn[nH]n2)c1 826445446 UXPJMQPUXAQBGN-UHFFFAOYSA-N 299.254 -0.940 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(CN)CC1 843344975 KHXBLTCDTKSNIO-VIFPVBQESA-N 256.350 -0.397 50 20 CBGD CC(=O)c1cn(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)nn1 843663199 XBJTWSBDEZOQIK-IUCAKERBSA-N 295.299 -0.947 50 20 CBGD COc1ccc(NNC(=O)C2(S(N)(=O)=O)CC2)nc1 845989551 KADNAKVTMOLMCM-UHFFFAOYSA-N 286.313 -0.646 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H](N)CCN(C)C)n1 846671514 UYZHWHJZRJNSOU-SECBINFHSA-N 282.348 -0.484 50 20 CBGD CN1CCN(CC(=O)NNC(=O)C(C)(C)C)CCC1=O 852578031 OVVFMVHJEXILGV-UHFFFAOYSA-N 284.360 -0.656 50 20 CBGD C=C[C@@H](O)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C 855834181 NTNIDTNUEZYUCD-SECBINFHSA-N 285.344 -0.377 50 20 CBGD C[C@H]1CSCC1=NNC(=O)CS(C)(=O)=O 863186692 IGHDGUDFXKNEJC-LURJTMIESA-N 250.345 -0.114 50 20 CBGD CCN1CCN(C(=O)c2cc(B(O)O)ccc2F)C[C@@H]1C 863877535 GONZSJHZYUBFGR-JTQLQIEISA-N 294.135 -0.328 50 20 CBGD COCCOCC(=O)NNC(=O)CC(C)(C)OC 869906242 JAKCJUBXCYTKCE-UHFFFAOYSA-N 262.306 -0.388 50 20 CBGD COCCOCC(=O)NNC(=O)/C=C\c1cccnc1 869911883 CSUGUPBDIFKWHF-PLNGDYQASA-N 279.296 -0.095 50 20 CBGD C[C@H](O)CN(C)NC(=O)COCc1ccccn1 910147135 JTWRJOVRQKIXQR-JTQLQIEISA-N 253.302 -0.058 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1ccc2nnnn2c1 910164605 ACPVHIUOICYHEK-ZETCQYMHSA-N 250.262 -0.918 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)C1CSC1 913733824 XECCFHZHEQUIEB-UHFFFAOYSA-N 257.315 -0.881 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@H]2CC[C@H]1[C@H](O)C2 925065911 VIUNHSGPTQNZAM-AQUOVQTQSA-N 293.103 -0.509 50 20 CBGD COC[C@@](C)(NC(=O)NNC(=O)CO)C(F)(F)F 932330826 MIWZNSQICOTNKQ-SSDOTTSWSA-N 273.211 -0.724 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCC[C@H](N(C)C)C1 1116204579 KOWYMMBZDIHYFT-BDAKNGLRSA-N 286.332 -0.637 50 20 CBGD Cc1cnn(C)c1C=NNC(=O)[C@H]1CCS(=O)(=O)C1 1117127520 JXNTVQCUHYHSGB-VIFPVBQESA-N 284.341 -0.387 50 20 CBGD CO[C@H]1CCCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1118864787 UCQYDDHMTKTICT-VIFPVBQESA-N 267.289 -0.125 50 20 CBGD COCCCCN(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1118865072 XFQIOHKJYJNMDI-VIFPVBQESA-N 286.332 -0.636 50 20 CBGD C[C@@H](CN(C)C)NC(=O)NNC(=O)c1cccnn1 1119292408 DBXBKBKJKPMWFJ-QMMMGPOBSA-N 266.305 -0.629 50 20 CBGD C[C@@H](O)CN(C)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 1119581851 NOJLMMMGRSQMJV-RKDXNWHRSA-N 296.414 -0.750 50 20 CBGD NC(=O)c1cccc(C(=O)NNc2ncc(F)cn2)n1 1254438879 QOAADBNHHWQAMM-UHFFFAOYSA-N 276.231 -0.134 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCCN(C)C1=O 1261786595 LRUQPVFRBFLYLW-LPEHRKFASA-N 298.343 -0.637 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCc2cscn2)N1 1261791306 MQBLDRNLLYVDDL-QMMMGPOBSA-N 297.340 -0.705 50 20 CBGD O=C(NNc1ncc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1319551364 AMCUPDWYBXRFFU-ZCFIWIBFSA-N 274.277 -0.507 50 20 CBGD C[C@H](O)c1cn(CC(=O)NNC(=O)c2ccccn2)nn1 1319720209 VFWGUDODUCJLNJ-QMMMGPOBSA-N 290.283 -0.812 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)c1ccn(C)n1 1325989832 LBTGBJVWHSOFBN-UHFFFAOYSA-N 261.307 -0.725 50 20 CBGD CC(C)C(=O)NNC(=O)C(=O)Nc1cccc(C#N)n1 1328225076 WREVUJOSQLXFIV-UHFFFAOYSA-N 275.268 -0.305 50 20 CBGD COC[C@H](OC)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 1328894758 DVFVPMLDZOYHPO-CIUDSAMLSA-N 260.290 -0.780 50 20 CBGD CNC(=O)NNC(=O)c1cc(CN2CCCC2)on1 1330109535 IRJWJSMOADIYSH-UHFFFAOYSA-N 267.289 -0.156 50 20 CBGD NCCCCCCNC(=O)NNC(=O)C(=O)N1CCCC1 1332142642 XZTJWIYROFYLBO-UHFFFAOYSA-N 299.375 -0.542 50 20 CBGD C[C@H](CNC(=O)NNC(=O)c1cnn(C)c1)C(=O)O 1332944485 CJHGMSYBUDZIOY-ZCFIWIBFSA-N 269.261 -0.915 50 20 CBGD COC(=O)c1ccc(C(=O)N2CC[C@@H](B(O)O)C2)nc1 1335434890 YDHVRKKLHWGVEI-SECBINFHSA-N 278.073 -0.443 50 20 CBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)CC(F)(F)F)nn1 1351035650 UFVHBTORNFVXPU-RXMQYKEDSA-N 295.221 -0.569 50 20 CBGD O=C(NNc1ncc(F)cc1F)c1cn(C2CNC2)nn1 1580743001 MSAQOBDWVSTIBK-UHFFFAOYSA-N 295.253 -0.148 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(C)(C)C(=O)O 1594643663 IAFLXSXMZJGRLX-SFYZADRCSA-N 287.316 -0.147 50 20 CBGD COC[C@@](C)(CC(=O)O)NS(=O)(=O)CCl 1599150327 FVOWBRQYYVOVIU-SSDOTTSWSA-N 259.711 -0.018 50 20 CBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1ccccc1Cl 1601636003 SYBLYOSYOZQGKL-UHFFFAOYSA-N 285.643 -0.490 50 20 CBGD O=C(CNC(=O)NNC(=O)c1ccccc1)NC1CC1 45127816 BYFDHEJBXCKKHF-UHFFFAOYSA-N 276.296 -0.091 50 20 CBGD CC(=O)NNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 45826840 KEJJYSAGWXSAID-IUCAKERBSA-N 267.285 -0.671 50 20 CBGD CCOC(=O)NNC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O 48399351 RNIUEWMZEMZPQK-UHFFFAOYSA-N 284.272 -0.918 50 20 CBGD COCCNC(=O)NNC(=O)Cc1cn2ccccc2n1 102637853 YKTXDAPIIZTKPB-UHFFFAOYSA-N 291.311 -0.146 50 20 CBGD CC(C)N(C)CC(=O)NNC(=O)c1cnn(C)c1 117820965 ZKNKGVGUQAVMHU-UHFFFAOYSA-N 253.306 -0.479 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 170759300 KEJWPDCVVRQCKK-NSHDSACASA-N 263.297 -0.301 50 20 CBGD CN(C)CC(=O)NNC(=O)COc1ccccc1F 171349755 GPSQOLBPKLDLNM-UHFFFAOYSA-N 269.276 -0.087 50 20 CBGD CCS(=O)(=O)NCC(=O)NNc1ccc(C#N)cc1 179482290 FYFIUTOVKPKLAU-UHFFFAOYSA-N 282.325 -0.059 50 20 CBGD CCOC(=O)C(C)(C)C(=O)NNC(=O)C(=O)NC(C)C 270591260 BNKCKXCPYONDDJ-UHFFFAOYSA-N 287.316 -0.752 50 20 CBGD COc1ccc(NNC(=O)[C@H](CO)NC(=O)C(C)C)nc1 293014894 UIRBPXUNDROWKT-JTQLQIEISA-N 296.327 -0.334 50 20 CBGD O=S(=O)(CCCCCl)N[C@@H]1COC[C@H]1O 323450664 FPJKSJQPMLVSCI-HTQZYQBOSA-N 257.739 -0.316 50 20 CBGD COC(=O)N(C)CCCC(=O)NNc1nccn(C)c1=O 493048260 BSHWCWQUJKXLME-UHFFFAOYSA-N 297.315 -0.298 50 20 CBGD COC(=O)NNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 495366647 GOGQPQCQTMFJQE-LURJTMIESA-N 281.334 -0.663 50 20 CBGD COC(=O)NNC(=O)c1cnc(O)c([N+](=O)[O-])c1 496528083 PZGQCOGFYDIFKJ-UHFFFAOYSA-N 256.174 -0.304 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H](O)C1CCOCC1 584911036 GQRYZGLITFAELZ-LBPRGKRZSA-N 279.101 -0.908 50 20 CBGD C[C@@H](NC(=O)c1cc(B(O)O)ccc1F)c1nncn1C 584930947 VELSQIPCESMSNN-SSDOTTSWSA-N 292.079 -0.875 50 20 CBGD C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cccc(B(O)O)c1 584957287 DMHLPNRHZFAEAI-IINYFYTJSA-N 288.156 -0.421 50 20 CBGD CN1CC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2C1 584971869 GQYMGSQLNYSCGO-RISCZKNCSA-N 288.156 -0.467 50 20 CBGD C[C@@H](C[C@@H](C)O)NC(=O)c1ccc(B(O)O)cc1 584972897 IZHUZUVISYAZEW-DTWKUNHWSA-N 251.091 -0.744 50 20 CBGD CC(C)(O)CCNC(=O)c1ccc(B(O)O)cc1 584973086 ACNMKSONDBUJCZ-UHFFFAOYSA-N 251.091 -0.743 50 20 CBGD CO[C@H]1CC[C@H](NC(=O)c2cccc(B(O)O)c2)C1 584980224 UCGSWPMKWRPSBR-RYUDHWBXSA-N 263.102 -0.336 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@@H]2CCOC[C@H]2C1 585004980 UADKVMZOPIUHMY-VHSXEESVSA-N 293.103 -0.386 50 20 CBGD O=C(N[C@H]1C[C@@H](O)C12CCC2)c1ccc(B(O)O)c(F)c1 585005211 BIDYTQBGDLPJIQ-NWDGAFQWSA-N 293.103 -0.461 50 20 CBGD CN(CC1=CCCOC1)C(=O)c1cc(B(O)O)ccc1F 585007155 KROBSQMAEVBJQP-UHFFFAOYSA-N 293.103 -0.076 50 20 CBGD C[C@@H](O)[C@H]1CCCN1C(=O)c1ccc(B(O)O)c(F)c1 585008416 VHLKVHADIBGTHY-PRHODGIISA-N 281.092 -0.509 50 20 CBGD O=C(CCNCc1ccc(B(O)O)o1)NC1CCCC1 585018123 HLFOMBXUCHATDQ-UHFFFAOYSA-N 280.133 -0.502 50 20 CBGD OB(O)c1ccc(CN[C@@H]2CCO[C@H]2C2CC2)o1 585032492 VQRLERSALHBEBE-PWSUYJOCSA-N 251.091 -0.384 50 20 CBGD CN(C)c1ncccc1C(=O)NNC(=O)c1cnn(C)c1 735444213 RVBOIOGJNDEBJG-UHFFFAOYSA-N 288.311 -0.044 50 20 CBGD CCC(=O)NN[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 736309133 KPKYERSTSXRXEI-JTQLQIEISA-N 289.299 -0.576 50 20 CBGD CN(C)c1nccc(NNC(=O)c2ccc(=O)n(C)c2)n1 740113521 CFOMLKSDENLOPS-UHFFFAOYSA-N 288.311 -0.002 50 20 CBGD CC(=O)NCC(=O)NCC(=O)NNc1ccc(C#N)cc1 748114853 GMHFIMKUXUSKPC-UHFFFAOYSA-N 289.295 -0.746 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1cc(C(N)=O)c[nH]1 749334911 HHDRLQBYMGGDDM-UHFFFAOYSA-N 275.268 -0.473 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNC(=S)N[C@@H](C)C1CC1 751616574 FOPKQCLNOIGZOV-WDSKDSINSA-N 273.362 -0.663 50 20 CBGD CC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)oc1C 753330954 PSVJCDAVLKKWOR-UHFFFAOYSA-N 289.313 -0.381 50 20 CBGD CCC(CC)n1ccc(C(=O)NNC(=O)CO)n1 753441053 YJJJLORNSGJPAW-UHFFFAOYSA-N 254.290 -0.003 50 20 CBGD CC[C@@H](NC(=O)NNC(=O)C(=O)NC1CC1)[C@@H]1CCCO1 756738950 YLBLXJHBBAGMFL-ZJUUUORDSA-N 298.343 -0.447 50 20 CBGD COc1ncc(C)cc1NC(=O)C(=O)NNC(=O)C1CC1 763557187 DGQSAZSRFFYHOH-UHFFFAOYSA-N 292.295 -0.105 50 20 CBGD CC1CCN(C(=O)C(=O)NNC(=O)N(C)C)CC1 767778555 ATVZUJUMLYYYAE-UHFFFAOYSA-N 256.306 -0.453 50 20 CBGD O=C(NNC(=O)C1(F)CCCC1)[C@@H]1CCS(=O)(=O)C1 771854909 WCIQSZLLFZNKJR-MRVPVSSYSA-N 292.332 -0.149 50 20 CBGD COC(=O)CNC(=O)NN=C(C)c1cnn(C)c1C 779822753 HDYXGYYGKZTYAU-UHFFFAOYSA-N 267.289 -0.075 50 20 CBGD COCC(=NNC(=O)C(=O)NC1CC1)C1CCOCC1 780200079 ZSXRJYWSTZWRKP-UHFFFAOYSA-N 283.328 -0.190 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@H](C)N1CCN(C)CC1 780708440 IMJVDOHSSQSTGP-JTQLQIEISA-N 271.365 -0.685 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H]1CO[C@@H](C)C1 784149682 PYUUNXMQLHLZFJ-DTWKUNHWSA-N 259.306 -0.222 50 20 CBGD NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CC(=O)NNC(=O)C1CC1 787331461 MKWMRUKHKICRHY-NHCYSSNCSA-N 294.355 -0.870 50 20 CBGD COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NNC(=O)CO)c1 788591891 WWLIGEPIBUZZIC-ONGXEEELSA-N 294.307 -0.053 50 20 CBGD CC(=O)N[C@H](C)C(=O)NNC(=O)c1cccc(C)n1 794074281 AXFKOQZUAUKWGR-MRVPVSSYSA-N 264.285 -0.324 50 20 CBGD C[S@@](=O)c1ccc(CC(=O)NNC(=O)C(C)(C)O)cc1 797998726 KQVNRGKWBLYLGG-HXUWFJFHSA-N 298.364 -0.115 50 20 CBGD COc1cccnc1CC(=O)NNC(=O)CN(C)C 806772546 RYFZEGWTYIUBKX-UHFFFAOYSA-N 266.301 -0.658 50 20 CBGD O=C(NN=C1CC(C(=O)O)C1)N[C@H]1CCS(=O)(=O)C1 814816168 OKZKWYDTPFVURS-MLWJPKLSSA-N 289.313 -0.677 50 20 CBGD C[C@@H](NC(=S)NNC(=O)[C@H]1CC(=O)N(C)C1)C1CC1 819037856 YSHWXPJEVOTTJN-APPZFPTMSA-N 284.385 -0.242 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1nnc2ccccc2n1 823928684 QITKMVNSXALSGC-QMMMGPOBSA-N 261.285 -0.018 50 20 CBGD C[C@H](CO)N(C)NC(=O)CN1CCCCCC1=O 823987720 LFKPCTSEPGXPOT-SNVBAGLBSA-N 257.334 -0.267 50 20 CBGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@H](O)C1CC1 825273582 JBEVPUDCHGQWOT-SNVBAGLBSA-N 297.336 -0.604 50 20 CBGD CCc1[nH]c(C(=O)NNC(=O)CO)c(C)c1C(=O)O 833670245 YTTGOHHRXZFMEM-UHFFFAOYSA-N 269.257 -0.663 50 20 CBGD CCOC(=O)[C@H](CC)C(=O)NNC(=O)N1CCOCC1 840300070 ZJYCONVXNUQKFQ-SECBINFHSA-N 287.316 -0.351 50 20 CBGD CC[C@@H]1CN(CC(=O)NNC(=O)C2CC2)CC[C@H]1N 843377638 RSZTZUNMKWHQCD-MWLCHTKSSA-N 268.361 -0.397 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccn(C)c(=O)c1 843639946 AFFJFHNFQNTVFR-WPRPVWTQSA-N 279.296 -0.429 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1cnn(C)c1 843647228 LQUCUUBIDAXJLM-WCBMZHEXSA-N 266.301 -0.465 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H]1CCCS(=O)(=O)C1 845075411 BTVJLOCFEQAGBL-MRVPVSSYSA-N 291.398 -0.508 50 20 CBGD O=C(NNc1ncccc1Cl)[C@@H]1CCS(=O)(=O)N1 846635440 TVOBNKFXIZOFGM-ZETCQYMHSA-N 290.732 -0.130 50 20 CBGD CC(C)C(=O)NNC(=O)c1ccnc(N)c1[N+](=O)[O-] 847288945 FMFNFSDDWRKZFY-UHFFFAOYSA-N 267.245 -0.011 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H]2NC(=O)CC[C@@H]2C1 852497936 XWJJLEHJXLWSTL-HBNTYKKESA-N 296.371 -0.467 50 20 CBGD C[C@@](O)(CC(=O)NNC(=O)c1cn[nH]c1)C1CC1 862472957 YCMIVCQXSGKVTN-LLVKDONJSA-N 252.274 -0.278 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H]1CCN1C(C)(C)C 862993082 LZODPIZATHBJMB-SNVBAGLBSA-N 287.360 -0.330 50 20 CBGD COC(=O)c1cnc(N2CC[C@@H](B(O)O)C2)nc1 864234264 SYDSTZQOSZAVKU-MRVPVSSYSA-N 251.051 -0.684 50 20 CBGD CO[C@@H](C(=O)NNC(=O)Cc1cc(C)[nH]n1)C1CC1 869017092 ZFIHKUQNTSESSS-LLVKDONJSA-N 266.301 -0.167 50 20 CBGD NNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 917371600 JQIWSONEWBJNIO-UHFFFAOYSA-N 279.268 -0.377 50 20 CBGD CCNC(=O)NN=Cc1nc2c(c(O)nc(=O)n2C)n1C 920825335 RTYNSNHZPUNZGS-UHFFFAOYSA-N 293.287 -0.974 50 20 CBGD O=C(N=S1(=O)CCCC1)c1cccc(B(O)O)c1 925944085 KWHHHRANHPEMQH-UHFFFAOYSA-N 267.115 -0.232 50 20 CBGD CCO/C=C(\C#N)C(=O)Nc1nn(C)cc1C(N)=O 1116458521 NAKHLHZRFCRXCW-VOTSOKGWSA-N 263.257 -0.099 50 20 CBGD O=C(NNC(=O)c1cnn2ccncc12)NC1CC1 1116865138 IDJLYLVDEXMPAC-UHFFFAOYSA-N 260.257 -0.164 50 20 CBGD O=C(/C=C\[C@@H]1CCOC1)NNC(=O)[C@@H]1CCC(=O)N1 1118884224 COANHOVXXHIDIE-LGSOUNPISA-N 267.285 -0.995 50 20 CBGD COc1cc(C(=O)NNC(=O)CN2CCCC2=O)ccn1 1119600559 WYBXYZJXCPIKAA-UHFFFAOYSA-N 292.295 -0.526 50 20 CBGD CSCCONC(=O)NNC(=O)c1cn[nH]c1 1261790776 VCMRUEQWYWHMRF-UHFFFAOYSA-N 259.291 -0.352 50 20 CBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)CC(C)(C)OC 1318883114 TYFBVROOGCRFGO-ZETCQYMHSA-N 275.305 -0.307 50 20 CBGD CNC(=O)NNC(=O)Cc1ccc(C(N)=O)cc1 1320727844 PMRHELKJGFEPMC-UHFFFAOYSA-N 250.258 -0.712 50 20 CBGD COC(=O)[C@H]1CCC[C@@H]1NCC(=O)NNC(=O)C1CC1 1326574216 ZCYUIRCSXMCDNP-UWVGGRQHSA-N 283.328 -0.525 50 20 CBGD CS(=O)(=O)c1cccnc1N1CC[C@H](B(O)O)C1 1329671257 IDRSTCDHVWYSAP-QMMMGPOBSA-N 270.119 -0.462 50 20 CBGD C[C@@H](Cc1cnn(C)c1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331803248 NICWJTSSPCJIGX-WPRPVWTQSA-N 293.327 -0.975 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1c[nH]c(C(N)=O)c1 1332483381 FLLDGYRALSCQEI-SVRRBLITSA-N 280.284 -0.700 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@@H]1NCc2n[nH]cc21 1575141252 MLXDGTFOUHLISM-MRVPVSSYSA-N 282.373 -0.152 50 20 CBGD CNCC(=O)NNC(=O)[C@H]1CCN1C(=O)OC(C)(C)C 1578616431 NIZUYQPCKHMYGQ-MRVPVSSYSA-N 286.332 -0.637 50 20 CBGD COCCOc1ccc(CC(=O)NNC(=O)CN)cc1 1579064193 GDWBOQUWQXAQGF-UHFFFAOYSA-N 281.312 -0.640 50 20 CBGD NCCC(=O)NNC(=O)[C@H]1CCOC2(CCC2)C1 1580281677 LJGRJMJFGIAJTE-VIFPVBQESA-N 255.318 -0.168 50 20 CBGD CC(C)(C(=O)O)C(=O)NNC(=O)CNC(=O)c1ccco1 1588618354 DOGKSSQYGPFKJG-UHFFFAOYSA-N 297.267 -0.732 50 20 CBGD COC(=O)C(=O)NN=Cc1ccc(-c2nn[nH]n2)o1 1591226007 IQNGZYHJYBLTIX-UHFFFAOYSA-N 264.201 -0.917 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)OCC(F)(F)F 1593908275 GWCONGCZBZLCNX-GSVOUGTGSA-N 274.151 -0.594 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 1601552828 JSBQKMYYRRXEJG-HLTSFMKQSA-N 297.311 -0.251 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1ccc(-c2nn[nH]n2)nc1 1603566845 WPQBQRDDEUPWTP-SSDOTTSWSA-N 277.288 -0.781 50 20 CBGD Cc1nnc(NNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1C 1606123968 CVXZFDYJFWAUBC-UHFFFAOYSA-N 288.275 -0.611 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CO)cc1C(=O)O 1607733430 MVUPSTWEPYYJRC-UHFFFAOYSA-N 252.226 -0.553 50 20 CBGD COC(=O)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1609300797 KVJXJIWUDQRWFY-UHFFFAOYSA-N 251.206 -0.804 50 20 CBGD COCCN(C)NC(=O)CCSCC(=O)O 1610257860 IJFJBSLZUSUSTN-UHFFFAOYSA-N 250.320 -0.196 50 20 CBGD Cc1cc(C=NNC(=O)C(=O)NC2CC2)[nH]c1C(=O)O 1776027318 RQJLWMRZTCYHLN-UHFFFAOYSA-N 278.268 -0.250 50 20 CBGD COCCOCCC(=O)NNC(=O)c1ccccn1 49056818 VGGZZZHUOMMVTL-UHFFFAOYSA-N 267.285 -0.104 50 20 CBGD OC[C@H]1O[C@H](c2ccccc2N=C=S)[C@@H](O)[C@@H](O)[C@@H]1O 59840371 GGYBJYNRLGNUNZ-NAWOPXAZSA-N 297.332 -0.064 50 20 CBGD CC(C)N1CCN(CC(=O)NNC(=O)C2CC2)CC1 112976672 MKMAGEBBOQEUMK-UHFFFAOYSA-N 268.361 -0.430 50 20 CBGD CNC(=O)NNC(=O)c1cccc(-n2ccnn2)c1 122585112 PSHCNDRZFYGFRO-UHFFFAOYSA-N 260.257 -0.159 50 20 CBGD O=C(NNC(=O)c1c[nH]nn1)c1cccc(-c2ncn[nH]2)c1 129353684 AVKSTOJHUALUOT-UHFFFAOYSA-N 298.266 -0.335 50 20 CBGD Cn1c(C(=O)NNC(=O)c2ccc[nH]2)cccc1=O 156124549 HDBNWULZOGIIAF-UHFFFAOYSA-N 260.253 -0.212 50 20 CBGD O=C1CCC[C@@H](C(=O)NNC(=O)NC2CCCC2)N1 270385063 ZYIWEDANGCSPCU-VIFPVBQESA-N 268.317 -0.072 50 20 CBGD C=CCNC(=S)NNC(=O)CS(=O)(=O)C(C)(C)C 281171120 IWMPDAGMEITOOM-UHFFFAOYSA-N 293.414 -0.119 50 20 CBGD COc1ccnc(NNC(=O)[C@@H]2C[C@H](C)CC(=O)N2)n1 294153552 RDWVOKQPWSVQDC-YUMQZZPRSA-N 279.300 -0.157 50 20 CBGD CCCCNC(=O)NNC(=O)CCNC(=O)OC 491267100 WYSFWGYBFRLUKG-UHFFFAOYSA-N 260.294 -0.137 50 20 CBGD Cn1cncc1C(=O)NNC(=O)CNC(=O)OC(C)(C)C 495997937 KJQVQFRIJOFVIH-UHFFFAOYSA-N 297.315 -0.294 50 20 CBGD OB(O)c1ccc(OCc2nnnn2C2CC2)cc1 584909053 BDXKMNSXRSAEPV-UHFFFAOYSA-N 260.062 -0.733 50 20 CBGD CCCCN(CCO)C(=O)c1ccc(B(O)O)c(F)c1 584931567 ZSUQAXGVPHBOGN-UHFFFAOYSA-N 283.108 -0.260 50 20 CBGD CO[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584969642 OSJBXKLLIIKNQR-LBPRGKRZSA-N 263.102 -0.383 50 20 CBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@@H](CO)CC1 584994472 JVCQXCSADDIMMX-SNVBAGLBSA-N 295.119 -0.260 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC12CCOCC2 585005932 GXZOARMQHAEMEX-UHFFFAOYSA-N 293.103 -0.099 50 20 CBGD C[C@]12COC[C@@H]1CN(C(=O)c1ccc(B(O)O)c(F)c1)C2 585008879 XZBIQBOLVFIIRM-HZMBPMFUSA-N 293.103 -0.386 50 20 CBGD OB(O)c1cccc(CN[C@H]2CCO[C@]3(CCOC3)C2)c1 585035437 UJPBNWOFUOBJFM-LSDHHAIUSA-N 291.156 -0.206 50 20 CBGD O=C1C[C@H](NCc2ccc(B(O)O)o2)[C@H]2CCCCN12 585041815 HDDGAWZWVHPYFN-WDEREUQCSA-N 278.117 -0.798 50 20 CBGD C[C@]1(CNCc2ccccc2B(O)O)CCC(=O)NC1 585048775 VVISWZJUCCXIBD-CQSZACIVSA-N 276.145 -0.628 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc(Cl)s1 585055158 YORFTCYMPFYLLO-UHFFFAOYSA-N 255.513 -0.308 50 20 CBGD CN1CC[C@H](N(C)S(=O)(=O)CBr)C1=O 690249863 PEFOEDRNLOBGOQ-LURJTMIESA-N 285.163 -0.169 50 20 CBGD CNC(=O)NN=Cc1cnc2ccc(-c3nn[nH]n3)cn12 736878987 MWRZKEUSZOARIB-UHFFFAOYSA-N 285.271 -0.223 50 20 CBGD COc1cc(C=NNC(=O)C(N)=O)c2c(c1)C[C@H](C)O2 755481117 IRKVRWSWBBKONJ-ZETCQYMHSA-N 277.280 -0.046 50 20 CBGD C=CCNC(=S)NNC(=O)C1=NN(C)C(=O)CC1 761661349 FNUJQDXICJOFQT-UHFFFAOYSA-N 269.330 -0.724 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCC(O)CC1 761806736 HMCWVTWGSJPRSF-YOXFSPIKSA-N 277.346 -0.669 50 20 CBGD CCC(=O)NNC(=O)C(=O)Nc1cccc2c1OCCO2 763441635 NXBDUJHVKQLEFU-UHFFFAOYSA-N 293.279 -0.046 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CC1(CO)CC1 772188524 QQARCVGEBFIKGN-QMMMGPOBSA-N 272.301 -0.362 50 20 CBGD CCO[C@@H]1COCC[C@@H]1N[C@H](C)C(=O)NNC(=O)CC 776488715 VEMURLRGOPTNTI-OUAUKWLOSA-N 287.360 -0.284 50 20 CBGD O=C(CO)NNC(=O)CCc1nc(-c2ccco2)no1 777782064 WXKZORUHNURXMQ-UHFFFAOYSA-N 280.240 -0.598 50 20 CBGD CNC(=O)CCCC(=O)NNc1ncc(F)cn1 780973101 BZDAETSKSIZURM-UHFFFAOYSA-N 255.253 -0.025 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@H](CO)C(=O)OCC 782760219 PSLAOYRTJYWWOG-FCZSHJHJSA-N 256.258 -0.529 50 20 CBGD C[C@H](O)C(=O)NNC(=O)c1cc(Br)c[nH]1 786702179 ATDFUIJBFMBSKX-BYPYZUCNSA-N 276.090 -0.081 50 20 CBGD Cn1ncc(C(=O)NNC(=O)C(C)(C)O)c1C1CC1 787949560 FRAHOAPQRDMFNE-UHFFFAOYSA-N 266.301 -0.171 50 20 CBGD CN(C)c1noc(CNS(=O)(=O)CBr)n1 788675331 NFJJQGRVGDYORT-UHFFFAOYSA-N 299.150 -0.093 50 20 CBGD Cc1cccc(C(=O)NN=Cc2cn(CC(=O)O)nn2)n1 794567594 QZOZPVSDEFQJOP-UHFFFAOYSA-N 288.267 -0.170 50 20 CBGD C[C@H](NC(=O)NNC(=O)C1CCCC1)C(=O)NCCF 799982199 WQPVFUMNAVORPH-QMMMGPOBSA-N 288.323 -0.019 50 20 CBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CC#N)cc1 801107430 XLXZLRJPVLYWSW-UHFFFAOYSA-N 260.253 -0.005 50 20 CBGD CC(C)[C@@H](O)C(=O)NNC(=O)N=c1cc[nH]cc1 803394277 RONISWWLMRTIAC-SECBINFHSA-N 252.274 -0.327 50 20 CBGD COCCN(C)NC(=O)[C@H]1CC(=O)N(CCOC)C1 816561700 IHFGQMGFJMTQKK-JTQLQIEISA-N 273.333 -0.909 50 20 CBGD CCN(CCO)NC(=O)CS(=O)(=O)C1CCCC1 823847615 YNJWDIAALLXZAN-UHFFFAOYSA-N 278.374 -0.311 50 20 CBGD Cc1cc(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)n[nH]1 826056939 ZQQNIPYOJDSKNY-WPRPVWTQSA-N 281.316 -0.026 50 20 CBGD CCO[C@H]1C[C@H]1C(=O)NNC(=O)C1CCOCC1 828831090 ZQQXDBLDUXCFQK-ZJUUUORDSA-N 256.302 -0.015 50 20 CBGD CS(=O)(=O)c1ccc(NNC(=O)[C@H]2CC(=O)N2)cc1 830781842 KQVSMJPLJYNYRK-SECBINFHSA-N 283.309 -0.578 50 20 CBGD O=C(O)[C@@H](NNC(=O)[C@H]1COCCO1)c1ccccc1 833149401 PKKUYYMGDHZPEB-MNOVXSKESA-N 280.280 -0.152 50 20 CBGD Cc1ccc(C(=O)NNC(=O)CN(C)CCN)cc1 842479508 VSEDFLXMGKGVEP-UHFFFAOYSA-N 264.329 -0.353 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cn1cccn1 843645090 QKWDRFFNGWMLIX-DTWKUNHWSA-N 252.274 -0.545 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(C)(C)S(C)(=O)=O 843654057 YXEVLLSUFSWTRV-SFYZADRCSA-N 292.357 -0.618 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccncn1 843655991 LQZGPXOACUMTNE-YUMQZZPRSA-N 250.258 -0.337 50 20 CBGD COCCN(C)NC(=O)[C@H]1CCc2nnnn2CC1 846121368 BZDYVLDTRDRVQJ-VIFPVBQESA-N 268.321 -0.765 50 20 CBGD CC(CN1C(=O)CCC1=O)=NNC(=O)c1cc[nH]n1 853392797 VLUAXSYJZCZZRZ-UHFFFAOYSA-N 263.257 -0.336 50 20 CBGD CCOC(=O)N[C@@H](C(=O)NNC(=O)c1cc[nH]n1)C(C)C 855359205 JSEMIIHEMCRULT-SECBINFHSA-N 297.315 -0.059 50 20 CBGD CC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cc[nH]n2)C1 855362825 WEJNXEFCNOZQAK-VIFPVBQESA-N 279.300 -0.571 50 20 CBGD NC(=O)CSCC(=O)NNc1ncc(Cl)cn1 857355550 DZRPDGQSRAKLDB-UHFFFAOYSA-N 275.721 -0.208 50 20 CBGD Cc1cccc(NNC(=O)CN(C)S(C)(=O)=O)n1 862524165 HXLIMJGSJIWANO-UHFFFAOYSA-N 272.330 -0.275 50 20 CBGD CCN(CC(=O)OC)C(=O)c1cc(B(O)O)ccc1F 863874335 PMVLEQBHGOSLGN-UHFFFAOYSA-N 283.064 -0.859 50 20 CBGD CC1=NO[C@H](CNC(=O)c2cccc(B(O)O)c2)C1 863883941 SHTVYSYYMUXFOS-NSHDSACASA-N 262.074 -0.739 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2C[C@H]3CC=CC[C@H]3C2)N1 868801157 UMUOZRQWKSZKRS-OUAUKWLOSA-N 292.339 -0.096 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCC(F)CC1 914990156 UMCLEBMBZPGOHZ-UHFFFAOYSA-N 251.066 -0.060 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](C2OCCO2)C1 932002112 DEGDZBQWVMMOPV-VHSXEESVSA-N 285.344 -0.373 50 20 CBGD CCOC(=O)[C@H]1CCN([C@@H](C)C(=O)NNC(=O)CC)C1 932640411 AFYVHWUCVFOSQR-UWVGGRQHSA-N 285.344 -0.183 50 20 CBGD CCCNC(=O)NNC(=O)CCCCNC(N)=O 1115901526 XVFKQNZBZPTMAU-UHFFFAOYSA-N 259.310 -0.435 50 20 CBGD CCCNC(=O)NNC(=O)[C@@H]1CN2CCN1C[C@@H]2C 1123607370 PPBIXKDMBHGEHN-UWVGGRQHSA-N 269.349 -0.885 50 20 CBGD COCC[C@@H](NS(=O)(=O)CBr)C(N)=O 1323223683 GHYQBLQRVYBDEC-RXMQYKEDSA-N 289.151 -0.851 50 20 CBGD Cc1c(S(=O)(=O)NNC(=O)c2ccccn2)cnn1C 1324804137 XLYHPVFXMALWDA-UHFFFAOYSA-N 295.324 -0.253 50 20 CBGD CC(=O)N[C@@H](C)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1327707309 DOXKXKICDZEFMK-WPRPVWTQSA-N 291.373 -0.997 50 20 CBGD COC(=O)C(=O)NNC(=O)NCCc1ccoc1 1327786578 AFJHXYYSBJNZOB-UHFFFAOYSA-N 255.230 -0.675 50 20 CBGD Cc1c(C(=O)NNc2ncccn2)nnn1-c1ccn(C)n1 1327790177 SSPPLVJBRDNECU-UHFFFAOYSA-N 299.298 -0.144 50 20 CBGD CN(C)C(=O)NNC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F 1329835688 YDEXPLYVZADTNX-RITPCOANSA-N 296.249 -0.397 50 20 CBGD Cc1csc(CCC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 1330107869 JHAXCOCICJNIDW-MRVPVSSYSA-N 296.352 -0.190 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccn(C(F)F)n1 1330169461 ZMQRCCTZNLCOTQ-UHFFFAOYSA-N 296.255 -0.916 50 20 CBGD Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](B(O)O)C1 1330262801 ULLCLWQEJJRXJB-SSDOTTSWSA-N 267.050 -0.378 50 20 CBGD C[S@@](=O)c1ccc(NC(=O)NNC(=O)CO)cc1 1342408000 LAMYAUPWJPDMSS-GOSISDBHSA-N 271.298 -0.431 50 20 CBGD CSc1ccc(NC(=O)C(=O)NNC(=O)CCO)cn1 1342605649 AGGKGPFTVJVELY-UHFFFAOYSA-N 298.324 -0.728 50 20 CBGD Cc1nn(C)c(C)c1C(=O)C(=O)NNC(=O)C(C)(C)O 1343451016 KYAGPRREFRLSPS-UHFFFAOYSA-N 282.300 -0.862 50 20 CBGD CC(=O)c1ccc(C(=O)NNC(=O)CS(C)(=O)=O)o1 1351668443 WZNUCVRIJSYXKJ-UHFFFAOYSA-N 288.281 -0.712 50 20 CBGD COc1ccccc1C(=O)NNC(=O)[C@@H]1CNCCN1C 1579296639 HBVBKGLJEQGKEM-NSHDSACASA-N 292.339 -0.640 50 20 CBGD O=C(CO)NNC(=O)Nc1ccc(C(=O)O)cc1F 1601330136 MXFUFPLAIRWAEV-UHFFFAOYSA-N 271.204 -0.331 50 20 CBGD O=C(NC[C@H]1CCCC1(F)F)NNC(=O)C(=O)O 1601482446 OHEYRSJRMWGBFG-RXMQYKEDSA-N 265.216 -0.163 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@@H](O)C1CCC1 1606857598 PLPDPAWLHOHNFZ-JTQLQIEISA-N 289.299 -0.134 50 20 CBGD O=C(O)c1cccc(NNC(=O)[C@H]2CCNC2=O)c1 1608935691 DQMRVTOEPCNKDG-VIFPVBQESA-N 263.253 -0.036 50 20 CBGD COC(=O)C(C)(C)CC=NNC(=O)NCC(=O)O 1610149953 SWPOTZDIXJFQPY-UHFFFAOYSA-N 259.262 -0.055 50 20 CBGD O=C(CN1CCCC1=O)NNC(=O)c1ccccn1 48375502 DWHSRNGEXUTIDH-UHFFFAOYSA-N 262.269 -0.535 50 20 CBGD COC(=O)c1cn(CC(=O)NNc2ccccn2)nn1 225927468 PSUAZZBTVNRULN-UHFFFAOYSA-N 276.256 -0.397 50 20 CBGD COCC(=O)N(C)CC(=O)NNC(=O)C1CCC1 270451704 UUHRWBFFJJELMT-UHFFFAOYSA-N 257.290 -0.961 50 20 CBGD CCNC(=O)N(C)NC(=O)CCNC(=O)OCC 271350751 LEQAHZZINUDHGE-UHFFFAOYSA-N 260.294 -0.185 50 20 CBGD COCCS(=O)(=O)CC(=O)NNc1ccnc(F)c1 272696803 DNPUJJVLFDFRBO-UHFFFAOYSA-N 291.304 -0.275 50 20 CBGD CCNC(=O)N(C)NC(=O)CNC(=O)c1cccc(O)c1 275349477 QKGQSXUNIGMBET-UHFFFAOYSA-N 294.311 -0.186 50 20 CBGD Cn1cccc1C(=O)NNC(=O)C(C)(C)N1CCOCC1 278753989 VTWZUFSPSNKAJC-UHFFFAOYSA-N 294.355 -0.103 50 20 CBGD CNc1ccc(C(=O)NNC(=O)N2CCOCC2)cn1 285195290 NZCGTRXDEOTQBR-UHFFFAOYSA-N 279.300 -0.190 50 20 CBGD COc1ccnc(NNC(=O)CCn2cnccc2=O)n1 292758975 RWTVQDZZSMKUCA-UHFFFAOYSA-N 290.283 -0.425 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN2C(=O)OC[C@H]2C1 493881379 ZDQTYULFJFOTNT-RKDXNWHRSA-N 284.316 -0.931 50 20 CBGD N#C[C@@]1(NC(=O)c2ccc(B(O)O)cc2)CCSC1 584936985 ODZQRDMRTLTRBF-LBPRGKRZSA-N 276.126 -0.505 50 20 CBGD C[C@H](CCN(C)C)NC(=O)c1ccc(B(O)O)cc1 584945825 LMNJQXCIQNGPRF-SNVBAGLBSA-N 264.134 -0.564 50 20 CBGD C[C@]1(CNC(=O)c2ccc(B(O)O)cc2)CCOC1 584946514 UDGBTEOZVQAPHE-CYBMUJFWSA-N 263.102 -0.477 50 20 CBGD CN1C[C@H]2CN(C(=O)c3cc(B(O)O)ccc3F)C[C@H]2C1 584983113 SNMZBSUYQCNRNC-AOOOYVTPSA-N 292.119 -0.861 50 20 CBGD CCN(CC)C(=O)CNCc1ccc(B(O)O)cc1F 585019159 DSGYPNJPXDUXNQ-UHFFFAOYSA-N 282.124 -0.537 50 20 CBGD CC(C)N1C[C@H](C)[C@H](NCc2ccc(B(O)O)o2)C1 585030030 DBCSLYLOWBSALD-CMPLNLGQSA-N 266.150 -0.222 50 20 CBGD Cc1nccnc1CCNCc1ccc(B(O)O)o1 585043649 RQJGAVXBEPRBJL-UHFFFAOYSA-N 261.090 -0.610 50 20 CBGD COc1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cn1 585055754 DXKAFEGMMJAVNA-QMMMGPOBSA-N 286.118 -0.672 50 20 CBGD O=C(CS(=O)(=O)CCCc1ccccc1)NCB(O)O 585061818 HWGVWSRTXYKENR-UHFFFAOYSA-N 299.157 -0.838 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 745857777 KYPHDZQSRNYXOY-VHSXEESVSA-N 272.349 -0.164 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1cc(C)nn1C 748661591 MFBKQCLYKBKBRY-VIFPVBQESA-N 299.331 -0.067 50 20 CBGD Cc1cc(C(=O)NNC(=O)CO)nn1[C@@H](C)C1CC1 753443196 USRCQAUKOJSMNY-QMMMGPOBSA-N 266.301 -0.084 50 20 CBGD CCOCC(=O)NNC(=O)N[C@@H](C)CO[C@@H]1CCOC1 753949351 ZLWJLPQXSVEKHT-VHSXEESVSA-N 289.332 -0.453 50 20 CBGD CC(F)(F)CC(=O)NNC(=O)C(=O)N1CCCC1 757895366 NIFACPSBKJJCMH-UHFFFAOYSA-N 263.244 -0.199 50 20 CBGD Cn1ccnc(NC(=O)NNC(=O)CC2CC2)c1=O 757904513 HKULOEZAMQHOGK-UHFFFAOYSA-N 265.273 -0.267 50 20 CBGD CCCCNC(=O)NNC(=O)CN(C)C(=O)COC 758712519 YXBWPEIHKCRWGF-UHFFFAOYSA-N 274.321 -0.778 50 20 CBGD Cc1c(CCC(=O)NNC(=O)C(C)(C)O)cnn1C 768241026 JOMREAMOWSBZBK-UHFFFAOYSA-N 268.317 -0.421 50 20 CBGD COC(=O)c1cccc(NNC(=O)C2=NNC(=O)C2)c1 780793034 QSTBZVXDULNQPQ-UHFFFAOYSA-N 276.252 -0.208 50 20 CBGD Cc1nn(C)c(C=NNC(=O)CO)c1Br 790296968 GOHHOHUYBSNJFI-UHFFFAOYSA-N 275.106 -0.067 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CN2CCCNC2=O)n1 794077182 TTYSDQYMLWRJIU-UHFFFAOYSA-N 291.311 -0.434 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1cnn(C)c1C 795869611 IBZHNZRQONLSKM-VIFPVBQESA-N 296.327 -0.240 50 20 CBGD C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@]2(CCOC2)O1 796555755 LBKVSCFDTKOROG-YGRLFVJLSA-N 297.355 -0.576 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CC(=O)NCC1(C)C 800487679 BYHJFETXQMAFIW-UHFFFAOYSA-N 284.360 -0.610 50 20 CBGD Cc1cnn(CC(=O)NNC(=O)N=c2cc[nH]cc2)c1 802025149 UEEQNSQDOGAFAR-UHFFFAOYSA-N 274.284 -0.139 50 20 CBGD Cn1c(NNC(=O)[C@@H]2C[C@@H]2N)nc2ccccc2c1=O 818048923 ONVSUTHXKJFUMK-BDAKNGLRSA-N 273.296 -0.276 50 20 CBGD CCN(CCO)NC(=O)CNC(=O)Cc1ccccc1 823833426 BQGSHNFPCKNHQD-UHFFFAOYSA-N 279.340 -0.309 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CC[C@H](C(N)=O)C1 826935289 YBIROTFZZPIUPG-RGOKHQFPSA-N 298.343 -0.604 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCCN2C=O)n[nH]1 831424211 IZKRNOBHCRFFNR-SECBINFHSA-N 265.273 -0.900 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1CCc2ncncc2C1 844133336 VZOFQLBZEGDUAN-VIFPVBQESA-N 277.328 -0.710 50 20 CBGD CC(C)C(=O)NNS(=O)(=O)N1CCCOCC1 844647814 QRMLUNHSXZIWSV-UHFFFAOYSA-N 265.335 -0.770 50 20 CBGD COC(=O)NNC(=O)C1(n2cnnn2)CCCCC1 846628582 SMULASMJTZPHAX-UHFFFAOYSA-N 268.277 -0.280 50 20 CBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCCn2nccc21 853302979 HSLUHQHCYYYWAE-MRVPVSSYSA-N 299.356 -0.565 50 20 CBGD CS(=O)(=O)CCC(=O)NNC(=O)c1cccc(F)n1 856422064 MYNUTNWHZKJOEX-UHFFFAOYSA-N 289.288 -0.584 50 20 CBGD COC[C@](C)(O)C(=O)NNc1ncc(Cl)cn1 857729343 SMIDOTKVFBCXGA-VIFPVBQESA-N 260.681 -0.030 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@@]12CCOC2)c1cn[nH]c1 862470408 DETUIXWYYRYROR-LDYMZIIASA-N 250.258 -0.403 50 20 CBGD Cc1cc(=NNC(=O)[C@@H]2CCCS2(=O)=O)cc[nH]1 862515619 YCNBSSJSZLECEW-JTQLQIEISA-N 269.326 -0.168 50 20 CBGD COC(=O)C(C)(C)N(C)C(=O)c1cccc(B(O)O)c1 863884568 NRKJJMRYWUMZMX-UHFFFAOYSA-N 279.101 -0.610 50 20 CBGD COCCOCC(=O)NNC(=O)c1cccc(O)c1 869913683 JWTWENFTSNJIDY-UHFFFAOYSA-N 268.269 -0.184 50 20 CBGD CO[C@]1(C(=O)NNC(=O)Cc2cc[nH]n2)CCSC1 896209689 BIXBLYLACSIMDA-LLVKDONJSA-N 284.341 -0.378 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 910139290 KFQWYMVNTPPQAB-ZJUUUORDSA-N 295.343 -0.883 50 20 CBGD CC(C)n1cnc(C(=O)NNC(=O)CN2CCCC2=O)c1 913732595 BQRWXWXNFLPRBO-UHFFFAOYSA-N 293.327 -0.153 50 20 CBGD CC(=O)NNC(=O)CCS(=O)(=O)CC(C)C 920430353 KREHYZDWDRQTEX-UHFFFAOYSA-N 250.320 -0.385 50 20 CBGD COCCCNC(=O)NNC(=O)c1cc2n(n1)CCO2 1117705924 NMEKTAXRIRLZBV-UHFFFAOYSA-N 283.288 -0.744 50 20 CBGD CN(C)CCCNC(=S)NNC(=O)c1ncon1 1119999513 FGGAAVSBMJZTJI-UHFFFAOYSA-N 272.334 -0.870 50 20 CBGD C[C@@H]1CCOCCN1C(=O)NNC(=O)c1ncccn1 1122033350 SXTLASHCFSWMFU-SECBINFHSA-N 279.300 -0.058 50 20 CBGD COC(=O)C(=O)NN=Cc1c[nH]c(C(=O)OC)c1 1252733484 SELJNSAAVGBBOZ-UHFFFAOYSA-N 253.214 -0.576 50 20 CBGD O=C(CCO)NNC(=O)C(=O)Nc1cccc(F)c1F 1254905279 MUYIVHXYMODUDL-UHFFFAOYSA-N 287.222 -0.567 50 20 CBGD O=C(NNC(=O)C1CC1)C(=O)Nc1cccc(F)n1 1257279231 XNNHQYLBRBTKQO-UHFFFAOYSA-N 266.232 -0.283 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)/C=C\c1cccnc1 1317757414 WAZNMQJOCJFIAH-WAYWQWQTSA-N 276.296 -0.233 50 20 CBGD CC(=O)N[C@H](C(=O)NNc1ccc(C(N)=O)nn1)C(C)C 1319141301 ADMBZLJWIBKLHT-JTQLQIEISA-N 294.315 -0.821 50 20 CBGD CN(C[C@@H](O)CN1CCOCC1)C(=O)CCl 1319681893 FSSFYFSYLMKYDW-SECBINFHSA-N 250.726 -0.623 50 20 CBGD C=C[C@@H](COC)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 1320439355 LNSVPJCJNNKIGA-ONGXEEELSA-N 291.373 -0.432 50 20 CBGD CCn1cc(NC(=S)NNC(=O)[C@H]2CCC(=O)N2)cn1 1329196379 PRRBVWPAXAMFNV-MRVPVSSYSA-N 296.356 -0.501 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@](O)(CC#N)C1 1329273999 VPUZTFOKAGULPZ-CABZTGNLSA-N 268.317 -0.717 50 20 CBGD CCOC(=O)N1CCC(C(=O)N2CC[C@@H](B(O)O)C2)CC1 1329291277 BYAVHIAXSBAPSQ-LLVKDONJSA-N 298.148 -0.070 50 20 CBGD O=C1C[C@H](C(=O)NNC(=O)OCC(F)(F)F)CCN1 1330966704 QBNPNJYOAFROQA-RXMQYKEDSA-N 283.206 -0.168 50 20 CBGD CC[C@@](C)(C#N)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1335329465 JCQRKSQSPASGCA-HQJQHLMTSA-N 252.274 -0.648 50 20 CBGD CN1CCN(CC(=O)NNC(=O)Cc2cccnc2)CC1 1338887510 KRMLEDDHZURDEF-UHFFFAOYSA-N 291.355 -0.981 50 20 CBGD O=C(CO[C@@H]1CCOC1)NNC(=O)NCC1CC1 1339909589 XSEIJDSAWQKQBZ-SECBINFHSA-N 257.290 -0.468 50 20 CBGD O=C1C[C@H](C(=O)NNC(=O)Cc2cccnc2)CCN1 1340379685 VHAJPLPRDGPLDA-SNVBAGLBSA-N 276.296 -0.702 50 20 CBGD COC[C@@H](C)NC(=S)NNC(=O)c1cc[nH]n1 1346686175 APFNPOUGFLVCLD-ZCFIWIBFSA-N 257.319 -0.447 50 20 CBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(OC)n[nH]1 1348343290 IYNLQURECGHSEP-ZCFIWIBFSA-N 283.288 -0.450 50 20 CBGD COc1ccnc(NNC(=O)N[C@@H]2CNOC2)n1 1579317015 GUOCYJSHZRMOSE-ZCFIWIBFSA-N 254.250 -0.985 50 20 CBGD Cc1nc(CS(C)(=O)=O)sc1CC(=O)NN 1579860154 VDQHTZDGHNWFCC-UHFFFAOYSA-N 263.344 -0.471 50 20 CBGD O=C(NNC(=O)[C@H]1CCCO1)Nc1ccnn1C1CNC1 1580736442 SQSXCVITGWWQPM-SECBINFHSA-N 294.315 -0.641 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](C(=O)O)C1CC1 1589417101 SVTAWRCXLWELDR-CNUIFLNQSA-N 270.285 -0.330 50 20 CBGD CO[C@@H](C(=O)O)C(=O)NNc1nc2ccccn2n1 1593911399 KLOBXWPVSGWTNG-SSDOTTSWSA-N 265.229 -0.728 50 20 CBGD Cc1nnc(NNC(=O)C2(CC(=O)O)CCOCC2)n1C 1594492473 FESRHILYLQMULC-UHFFFAOYSA-N 297.315 -0.162 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1[C@@H]2c3ccc(F)cc3C[C@H]21 1601552972 PNZXFMRJVNKNRW-OPRDCNLKSA-N 293.254 -0.121 50 20 CBGD O=C(NNC(=O)c1ccc(C(=O)O)o1)c1cnsn1 1601555413 ZWKGRBFCFXSLFT-UHFFFAOYSA-N 282.237 -0.096 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@](C)(OC)C(=O)O)cc1 1604763934 PZLMKWRFNTYKDV-ZDUSSCGKSA-N 296.279 -0.054 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(C(=O)O)nn1C 1604834310 JNRJIVJJPFMUFG-RQJHMYQMSA-N 296.283 -0.696 50 20 CBGD CO[C@H](C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1604999228 BQURUGHLPWWADI-SSDOTTSWSA-N 290.283 -0.337 50 20 CBGD CCN1CCC[C@@H]1CNC(=S)NNC(=O)C(=O)O 1605477785 QOKKNTGBMZBZCC-SSDOTTSWSA-N 274.346 -0.949 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)O 1605618335 JQNDDUDOHQRKGU-QEHWCHDUSA-N 278.268 -0.034 50 20 CBGD O=C(NNC(=O)c1cc(C(=O)O)co1)C(=O)N1CCCC1 1608479055 JIMFGCFHYNCAMK-UHFFFAOYSA-N 295.251 -0.639 50 20 CBGD O=C(O)C(=O)NNC(=S)NCCc1ccccn1 1608531010 POJYMQXFNCRMOU-UHFFFAOYSA-N 268.298 -0.796 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCCc2c[nH]nc21 1610699082 FYUAEIUODTYIGR-LURJTMIESA-N 267.245 -0.798 50 20 CBGD O=C(O)Cc1cccc(NC(=O)NNC(=O)CCO)n1 1610795502 PJFBRCXXXBUUPC-UHFFFAOYSA-N 282.256 -0.756 50 20 CBGD COC(=O)CN(C)CC(=O)NNC(=O)c1ccccc1 48323026 SQUODSXTNMCQOF-UHFFFAOYSA-N 279.296 -0.448 50 20 CBGD C[C@H](O)c1cn(CC(=O)NNC(=O)c2cccs2)nn1 125070283 MJVGOEYBVGYLTC-ZETCQYMHSA-N 295.324 -0.146 50 20 CBGD O=C1CCC[C@@H](C(=O)NNC(=O)c2ccccn2)N1 270254203 VMMSSFASBRNWDK-VIFPVBQESA-N 262.269 -0.489 50 20 CBGD C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)C(=O)NC2CC2)O1 282646232 KSWHIRRBNGNOND-ZXFLCMHBSA-N 269.301 -0.774 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1O[C@@H](C)C[C@@H]1C 282744717 RYXMJAQIUPAJAA-XHNCKOQMSA-N 271.317 -0.528 50 20 CBGD COC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)[C@H]1CCCO1 293267106 GAMQKPUQEOUGSU-HRDYMLBCSA-N 270.285 -0.488 50 20 CBGD O=C(NNC(=O)[C@H]1CSCCS1)C(=O)NC1CC1 298178543 XKGWAQQWWNXUHD-SSDOTTSWSA-N 289.382 -0.739 50 20 CBGD CN1C[C@H](NS(=O)(=O)CCCCl)CC1=O 379778006 DVWMQWCNTDSLKR-SSDOTTSWSA-N 254.739 -0.235 50 20 CBGD C[C@@H](C(=O)Nc1cccc(B(O)O)c1)[C@H]1CCC(=O)N1 584911786 MYYHTVAHIJBFHR-LDYMZIIASA-N 276.101 -0.780 50 20 CBGD CC1(O)CCC(NC(=O)c2cccc(B(O)O)c2)CC1 584959676 FGHCIQDFMCXJFI-UHFFFAOYSA-N 277.129 -0.210 50 20 CBGD CN1CC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 584971266 NHOCSXRGKUZYNV-RISCZKNCSA-N 288.156 -0.467 50 20 CBGD O=C(c1ccc(B(O)O)cc1)N1CCOC(F)(F)C1 584993620 YFBXVRMBSKVHHG-UHFFFAOYSA-N 271.028 -0.568 50 20 CBGD CCc1nc(CNC(=O)c2cc(B(O)O)ccc2F)n[nH]1 584994566 LCGVNIDTUWDNLV-UHFFFAOYSA-N 292.079 -0.884 50 20 CBGD CC[C@H]1CN(C)CCN1C(=O)c1cc(B(O)O)ccc1F 584994729 NBNFBXAUPMEERU-NSHDSACASA-N 294.135 -0.328 50 20 CBGD C[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@@H]1CO 585010980 VRFZBLAQUWZYOE-MWLCHTKSSA-N 295.119 -0.404 50 20 CBGD CCNC(=O)[C@@H](C)NCc1ccc(B(O)O)cc1F 585032587 JLMDBXFUPZRACC-MRVPVSSYSA-N 268.097 -0.880 50 20 CBGD OB(O)c1ccc(CNCCn2cnnc2C2CC2)cc1 585033576 HQCGNURHGLYEIV-UHFFFAOYSA-N 286.144 -0.375 50 20 CBGD O=C1CCC[C@@H](CNCc2ccc(B(O)O)cc2)N1 585039208 QCGJZLDBKFZLLA-LBPRGKRZSA-N 262.118 -0.875 50 20 CBGD O=C1CCCN1CCNCc1ccccc1B(O)O 585046274 VLMULSGNPPKXJI-UHFFFAOYSA-N 262.118 -0.922 50 20 CBGD OC[C@@H](NCc1ccc(B(O)O)cc1F)[C@H]1CCCOC1 585046965 XVXVILRQKSWMON-SMDDNHRTSA-N 297.135 -0.617 50 20 CBGD COc1ccc(C(=O)NCB(O)O)cc1[N+](=O)[O-] 585057116 MCYJVVWEDFYAEW-UHFFFAOYSA-N 254.007 -0.655 50 20 CBGD C[C@H](C1CC1)N(C)S(=O)(=O)N1CC[C@H](B(O)O)C1 585057524 GGJYAYOKSKFXCV-SCZZXKLOSA-N 276.167 -0.490 50 20 CBGD O=C(NCB(O)O)c1c(Cl)nc2ccccn12 585061434 SCOOVZBYFNPNFE-UHFFFAOYSA-N 253.454 -0.271 50 20 CBGD O=C(O)COc1cccc(C(=O)N2CC[C@H](B(O)O)C2)c1 585064968 AGBRPYAPJUUVSK-JTQLQIEISA-N 293.084 -0.161 50 20 CBGD O=C(CN1CCCNC1=O)NNc1ccc(Cl)nn1 735689088 KCILOSFNAYGWOF-UHFFFAOYSA-N 284.707 -0.012 50 20 CBGD CC1=C(C(=O)NNc2nccn(C)c2=O)C(=O)OC1(C)C 747941867 QPAPOILAOOBXRZ-UHFFFAOYSA-N 292.295 -0.125 50 20 CBGD O=C(CO)NNC(=O)C1=Cc2cc(F)ccc2OC1 753439062 MSLUZFXEVFWUOH-UHFFFAOYSA-N 266.228 -0.259 50 20 CBGD C[S@](=O)Cc1ccccc1NC(=O)NNC(=O)CO 762888051 NLBBUQZYJHCWGH-IBGZPJMESA-N 285.325 -0.290 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(CO)(OC)CC1 773943686 FDMJGICDXJWLDQ-SNVBAGLBSA-N 287.360 -0.594 50 20 CBGD O=C(CO)NNC(=O)c1ccc(OC(F)F)cn1 776188943 UAMUCGJGOQAGLJ-UHFFFAOYSA-N 261.184 -0.564 50 20 CBGD O=C(Cc1ccncc1)NNC(=O)C(=O)N1CCCC1 779659729 DBDBUCHDZREMNK-UHFFFAOYSA-N 276.296 -0.606 50 20 CBGD COC(=O)CNC(=O)NN=Cc1cccnc1N 779822121 ABOROJHWXZIXHG-UHFFFAOYSA-N 251.246 -0.530 50 20 CBGD C[C@@H](CS(C)(=O)=O)C(=O)NN=c1cc[nH]cc1 780761057 DTPDUYPCTFBQPW-QMMMGPOBSA-N 257.315 -0.373 50 20 CBGD Cn1cc(S(=O)(=O)N2CC=C(C#N)CC2)cc1C(N)=O 780926870 DUPCHCBYBZTFAD-UHFFFAOYSA-N 294.336 -0.032 50 20 CBGD C[C@@H]1CCNC(=O)[C@H]1NS(=O)(=O)CBr 799826196 DIAKOEXIKCWOFM-RITPCOANSA-N 285.163 -0.217 50 20 CBGD Nc1nccnc1C(=O)NNC(=O)N=c1cc[nH]cc1 802028995 IAVNZURBDUBAFE-UHFFFAOYSA-N 273.256 -0.658 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](O)c1cccnc1 803956868 HOROKBCKPMTIAZ-KWQFWETISA-N 295.295 -0.396 50 20 CBGD Cn1cnc(C(=O)NNC(=O)c2ccc(Cl)nc2)n1 810155377 SJEUETZDQOFJRT-UHFFFAOYSA-N 280.675 -0.062 50 20 CBGD C=C[C@H](O)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C 814543169 DQTZBVOMUKMGDV-IUCAKERBSA-N 272.301 -0.342 50 20 CBGD CCC(CC)NC(=O)C(=O)NN=C(C)c1cnnn1C 814854601 OWHKSLYQXMHSKG-UHFFFAOYSA-N 280.332 -0.040 50 20 CBGD Cn1cc(-c2nn[nH]n2)cc1C(=O)NNC(=O)NC1CC1 822645907 VYRBAJHTFMJAFE-UHFFFAOYSA-N 290.287 -0.688 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NN=Cc1cn(CC(=O)O)nn1 842551946 GPAUUNQKJJWDDV-VXNVDRBHSA-N 281.272 -0.762 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CS(=O)(=O)C1CC1 843964682 FUPUBYLDUHRIEB-CBAPKCEASA-N 290.341 -0.864 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCCC(=O)N1 843972914 WGOMVBWYYHESIZ-XHNCKOQMSA-N 269.301 -0.773 50 20 CBGD COCCN(C)NC(=O)c1cnc(C(=O)OC)cn1 848378427 QTYSBURJIWBPCB-UHFFFAOYSA-N 268.273 -0.514 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2ncc[nH]2)n1 854233031 WPPMWLZENZJNIG-UHFFFAOYSA-N 262.273 -0.316 50 20 CBGD O=C1CC[C@H](CC(=O)NNC(=O)c2cc[nH]n2)CN1 855355294 VLPLOOOGUHMPLM-SSDOTTSWSA-N 265.273 -0.913 50 20 CBGD CCS(=O)(=O)NCC(=O)NN[C@@H](C)C(F)(F)F 862314891 LSRAYEYQGOGZQR-YFKPBYRVSA-N 277.268 -0.503 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)N1 862449871 LDYGHZOTDPQHSP-AXTSPUMRSA-N 265.313 -0.151 50 20 CBGD O=C(NOCC1CCC1)c1cc(B(O)O)ccc1F 863886333 YREZSTWFXDNCDB-UHFFFAOYSA-N 267.065 -0.033 50 20 CBGD Cc1cc(C)nc(NNC(=O)[C@@]2(C)C[C@@H](O)CN2C)n1 900075691 BVWWSQJBARAPOF-ZWNOBZJWSA-N 279.344 -0.008 50 20 CBGD C[C@@]1(C(=O)N[C@@H](CO)C(N)=O)C[C@H]1Br 908136590 DBBBNVYGPLUTII-CPDSJTNBSA-N 265.107 -0.878 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccn(CCN(C)C)n1 910145367 AHIVSQOQZIVHOK-SNVBAGLBSA-N 269.349 -0.598 50 20 CBGD CC(=O)NNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 913173160 RPDURSBEZVPVGY-UHFFFAOYSA-N 296.308 -0.996 50 20 CBGD NC(=O)C(=O)NN=Cc1cc2ccccc2nc1O 916274880 WIFOKAGMEGGHLS-UHFFFAOYSA-N 258.237 -0.124 50 20 CBGD CNC(=O)NNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 921030660 RSBGAUNSAZSXOW-UHFFFAOYSA-N 298.255 -0.058 50 20 CBGD Cc1occc(=O)c1OCC(=O)NNC(=O)C1CC1 929229614 DZCMFRARJYIWRY-UHFFFAOYSA-N 266.253 -0.116 50 20 CBGD CC(C)NC(=S)NNC(=O)CNC(=O)N1CCCC1 1119527850 RTTOBQCWPBUUDI-UHFFFAOYSA-N 287.389 -0.305 50 20 CBGD CO[C@@H](C=NNC(=O)c1ncon1)[C@@H]1CCOC1 1120246500 ROJAXHFCMWWAMJ-SFYZADRCSA-N 254.246 -0.163 50 20 CBGD CC(C)n1ccc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 1120273225 NVXWDGKWZRLBIX-SNVBAGLBSA-N 293.327 -0.568 50 20 CBGD CC(C)NC(=O)C(=O)NN=Cc1cnc2cnccn12 1252419729 DSMPQYGUELTRKK-UHFFFAOYSA-N 274.284 -0.296 50 20 CBGD Cn1cc(C(=O)NNC(=O)CC2OCCCO2)cn1 1256339940 NVTBLFZQTWZATA-UHFFFAOYSA-N 268.273 -0.666 50 20 CBGD CC(=O)NCC(=O)NNc1cccc(S(C)(=O)=O)c1 1319965374 KRZKDAVQKWXTFL-UHFFFAOYSA-N 285.325 -0.331 50 20 CBGD CCS(=O)(=O)/C(C#N)=C\c1cn(CC(=O)O)nn1 1320737347 LAOISKYVHKFNNQ-BAQGIRSFSA-N 270.270 -0.338 50 20 CBGD Cn1ncc(C(=O)NNC(=O)C2CC2)c1-n1cnnc1 1326235348 ZXNLEKFIRYKJLS-UHFFFAOYSA-N 275.272 -0.828 50 20 CBGD Cn1cnnc1COCC(=O)NNC(=O)C(C)(C)C 1327800938 QKYGUVXTWXVQTO-UHFFFAOYSA-N 269.305 -0.475 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CC23CCOCC3)N1 1329532013 YHVKFNZENUHJPH-IUCAKERBSA-N 281.312 -0.771 50 20 CBGD C[C@H](CN1CCOCC1)NC(=O)NNC(=O)c1cn[nH]c1 1330027356 BDIYLOOFCDUKAK-SECBINFHSA-N 296.331 -0.926 50 20 CBGD C[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)c1cnn(C)c1 1332892596 KJPQYOOJMYHUKU-MRVPVSSYSA-N 276.300 -0.217 50 20 CBGD C=C[C@H](O)C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1347297651 MCWOGSXAGUSTSM-VIFPVBQESA-N 264.285 -0.404 50 20 CBGD C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](B(O)O)C1 1351730316 WIHVTEHASLFPOG-DTWKUNHWSA-N 275.139 -0.986 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NCCc2ccccn2)N1 1352305232 OJDSNQWPJAZZRC-SNVBAGLBSA-N 291.311 -0.767 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)NC2CC=CC2)N1 1352360457 MMBORMALVVQSEJ-QMMMGPOBSA-N 252.274 -0.686 50 20 CBGD CC(C)Oc1ncccc1C(=O)NNC(=O)[C@H]1CCN1 1575818098 HQEHNSFTBGDQSW-SNVBAGLBSA-N 278.312 -0.008 50 20 CBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1cnn[nH]1 1593163075 IOXONYJRHGLBHZ-UHFFFAOYSA-N 272.232 -0.863 50 20 CBGD CC1=C(C(=O)O)C[C@@H](COc2ccc(B(O)O)cc2)O1 1594107133 WTMVJLGFODMIDJ-NSHDSACASA-N 278.069 -0.107 50 20 CBGD O=C(O)COCC(=O)NNC(=O)c1ccc2c(c1)OCO2 1595107240 NYVUJFPOHPHAAA-UHFFFAOYSA-N 296.235 -0.723 50 20 CBGD O=C(NNC(=O)[C@H]1C[C@H]1C(=O)O)[C@@H]1CCCS1 1601556245 SXXSMXXIHRLKAR-XVMARJQXSA-N 258.299 -0.250 50 20 CBGD C[C@@H](O)CN(C)NC(=O)c1ccc(-c2nn[nH]n2)n1C 1603699563 NYJGOGFYTXAHSI-SSDOTTSWSA-N 279.304 -0.837 50 20 CBGD COc1cc(NC(=O)C(=O)NNC(C)=O)ccc1C(=O)O 1610296982 BPEUHYHAQBLGPI-UHFFFAOYSA-N 295.251 -0.501 50 20 CBGD Cc1nsc(C=NNC(=O)C(N)=O)c1C(=O)O 1776015740 JAPOIKAXLLQECF-UHFFFAOYSA-N 256.243 -0.915 50 20 CBGD NC(=O)NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 144400082 JGNTWWXLIBWORL-UHFFFAOYSA-N 281.228 -0.976 50 20 CBGD COC(=O)NNC(=O)CNC(=O)Cc1cccc(F)c1 274304037 RHHIXQAECPJMIK-UHFFFAOYSA-N 283.259 -0.128 50 20 CBGD Cc1cc(C(=O)NNC(=O)C[C@H]2CCCC(=O)N2)[nH]n1 289910719 UZMFJMMRUBZTNI-MRVPVSSYSA-N 279.300 -0.462 50 20 CBGD CCC[C@H](OC)C(=O)NNC(=O)C(=O)N1CCCC1 294667455 VVOKGEXJIWBZAT-VIFPVBQESA-N 271.317 -0.429 50 20 CBGD CS(=O)(=O)N1CCC[C@@H](NC(=O)CCl)C1 306801115 QKHPCRQIRQKDAU-SSDOTTSWSA-N 254.739 -0.235 50 20 CBGD COC(=O)N(C)NC(=O)[C@H]1CCCCS1(=O)=O 495822834 JZAOWFLKYJEPPQ-SSDOTTSWSA-N 264.303 -0.317 50 20 CBGD C[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1CO 584979086 KQWZONPOVUGMKB-JOYOIKCWSA-N 263.102 -0.791 50 20 CBGD C[C@@H]1SCC[C@H]1NC(=O)c1cccc(B(O)O)c1 585003593 UTSNQICYKJMKDG-GZMMTYOYSA-N 265.143 -0.010 50 20 CBGD Cn1cc([C@@](C)(O)CNCc2cccc(B(O)O)c2)cn1 585024950 IESKKNMQUDFSJH-AWEZNQCLSA-N 289.144 -0.903 50 20 CBGD CCC(=O)N1CC[C@H](NCc2ccc(B(O)O)o2)C1 585031310 UBWGBXPSTSRKQZ-VIFPVBQESA-N 266.106 -0.940 50 20 CBGD COC[C@H](CNCc1ccc(B(O)O)cc1)OC 585035261 QOTFJHPKZPMMCC-LBPRGKRZSA-N 253.107 -0.883 50 20 CBGD CCc1ccc(N2C[C@@H](C(=O)NCB(O)O)CC2=O)cc1 585058440 FWOOUNHAABTOKR-NSHDSACASA-N 290.128 -0.270 50 20 CBGD O=C([C@@H]1COCCN1C1CCCC1)N1CC[C@@H](B(O)O)C1 585063917 KHMKYBWNGNRFCB-YPMHNXCESA-N 296.176 -0.295 50 20 CBGD O=S(=O)(CCl)NCC1(CO)CCOCC1 700919508 GRUBIEVLGUZRJT-UHFFFAOYSA-N 257.739 -0.109 50 20 CBGD CNC(=O)NNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 726528526 ZSCJEWDUXQKXKM-UHFFFAOYSA-N 284.276 -0.242 50 20 CBGD O=C(Cc1cccnc1)NNS(=O)(=O)C1CC1 728855960 GDMLGOHYJBSFNO-UHFFFAOYSA-N 255.299 -0.263 50 20 CBGD CCOCC(=O)NNC(=O)NC1CCN(C2CC2)CC1 731280190 LPUGJDIIXXRJCS-UHFFFAOYSA-N 284.360 -0.020 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCn1ccnn1 732084241 TXAJVCCNZGJJRP-UHFFFAOYSA-N 263.261 -0.839 50 20 CBGD O=C(NNC(=O)c1cc[nH]n1)c1cccc(-c2nn[nH]n2)c1 738136941 QHQNELVRLHMTDF-UHFFFAOYSA-N 298.266 -0.335 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CSCCS(C)(=O)=O 742451829 HSLSSFVIHZETGJ-UHFFFAOYSA-N 296.414 -0.042 50 20 CBGD COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)CO)C1 753438743 ITIYLOYJBKKBQV-JGVFFNPUSA-N 258.274 -0.895 50 20 CBGD COCC(=O)N(C)CC(=O)NNc1nc(C)cc(C)n1 758198921 SQWAOSMKAPGWME-UHFFFAOYSA-N 281.316 -0.359 50 20 CBGD O=C(NNC(=O)c1cnn[nH]1)c1ccc([N+](=O)[O-])cn1 762201547 RMPUYRRVOGLDBP-UHFFFAOYSA-N 277.200 -0.817 50 20 CBGD CCCNC(=O)NNC(=O)C(=O)N1CCC[C@@H](C)C1 767741681 QGUVOVRQKMBZQM-SECBINFHSA-N 270.333 -0.015 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@](C)(O)C(C)C 771272514 KNDAPHPLFMEKIR-NSHDSACASA-N 261.322 -0.240 50 20 CBGD CCOCC(=O)NN[C@@H](C(=O)OC)c1cccnc1 771898574 OWTGULLSCDKCTN-LLVKDONJSA-N 267.285 -0.047 50 20 CBGD CN1CCN(C(=O)NNC(=O)c2ccc[nH]2)CC1 773658702 OQBZFZVLCDFLSC-UHFFFAOYSA-N 251.290 -0.384 50 20 CBGD CNC(=O)c1ccc(NC(=O)NNC(=O)CN(C)C)cc1 775460037 OICWOSWJRLKDTN-UHFFFAOYSA-N 293.327 -0.240 50 20 CBGD CCCc1[nH]nc(C(=O)NNC(=O)CO)c1[N+](=O)[O-] 777781322 NEBNBDVALIGKSP-UHFFFAOYSA-N 271.233 -0.976 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@](F)(C#N)C1 786438574 VBUWINCSTWKIBY-KCJUWKMLSA-N 256.281 -0.130 50 20 CBGD CC(CS(C)(=O)=O)=NNC(=O)N1CCN(C)CC1 790175525 GNLVWOVBABUXMM-UHFFFAOYSA-N 276.362 -0.636 50 20 CBGD C[C@H]1COC(=O)C1=NNC(=O)CN1CCCC1=O 794879558 NHCZYTBUZBPUTO-ZETCQYMHSA-N 253.258 -0.726 50 20 CBGD C[C@@H]1COC(=O)C1=NNC(=O)N[C@H]1CCS(=O)(=O)C1 794901822 OXXFUJFPRUNYTA-RQJHMYQMSA-N 289.313 -0.978 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1ccncn1 802035336 FQNUCWJJDWTPCE-UHFFFAOYSA-N 258.241 -0.240 50 20 CBGD Cc1c[nH]nc1C(=O)NNC(=O)N1CCN(C)CC1 807381426 RYWOIFURBKBGFS-UHFFFAOYSA-N 266.305 -0.680 50 20 CBGD CON=CC(=O)NNC(=O)COc1ccccc1F 809537015 DVEGKNXKWGJPJX-UHFFFAOYSA-N 269.232 -0.016 50 20 CBGD CCOc1ccc(NNC(=O)[C@H](CO)NC(N)=O)cc1 817885542 CPDSHEQALBXRQO-JTQLQIEISA-N 282.300 -0.442 50 20 CBGD CSCCNC(=S)NNC(=O)CN1CCOC1=O 821491460 ADGYFWKVDXYIJN-UHFFFAOYSA-N 292.386 -0.703 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CCCN1C(=O)C(F)(F)F 823873535 CSOKUIBBLVGZMO-MRVPVSSYSA-N 297.277 -0.115 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@](C)(C(N)=O)C1 827275507 VOHLRNSHKBFANJ-RWEMILLDSA-N 298.343 -0.651 50 20 CBGD C[C@H](N)C[C@H](C)NC(=O)NNC(=O)N=c1cc[nH]cc1 831223869 NSFOFGDEVZJHKF-IUCAKERBSA-N 280.332 -0.035 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(C)CC(C)(C)CN 843355298 QKLIKKRMQKJOKF-VIFPVBQESA-N 258.366 -0.151 50 20 CBGD O=C(CO[C@@H]1CCCNC1)NNc1ncccn1 843378981 LHBORSZJOHUFPZ-SECBINFHSA-N 251.290 -0.312 50 20 CBGD NNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 843450515 GVJINVCFDTZIJG-ZCFIWIBFSA-N 268.229 -0.218 50 20 CBGD O=C(NNc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)N1 846636370 KWEQUVFWJVLWMT-ZETCQYMHSA-N 290.732 -0.130 50 20 CBGD CCOC(=O)Cn1ccc(NC(=O)NNC(C)=O)n1 847247544 CVUPFWJGVIYDJL-UHFFFAOYSA-N 269.261 -0.381 50 20 CBGD O=S(=O)(CCl)N1CCC[C@@H](OCCO)C1 849376042 JXYYSHIHYZSIGC-MRVPVSSYSA-N 257.739 -0.014 50 20 CBGD O=C(NNC(=O)C1(n2cnnn2)CC1)c1cccnc1 854146341 LTLFJBFFHQXKPN-UHFFFAOYSA-N 273.256 -0.982 50 20 CBGD COc1ccccc1CC(=O)NNC(=O)[C@H]1CCNC1=O 854510702 RMXNMTNGRZYRSF-JTQLQIEISA-N 291.307 -0.479 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H](C)c1cnn(C)c1 854924802 SKXJYYQVKJNCPR-SSDOTTSWSA-N 255.347 -0.009 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)[C@@]1(O)CCSC1 855000900 QDGGEROCCODWFK-SSDOTTSWSA-N 272.248 -0.046 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@H]1CCN(C)C1=O)C1CC1 855099891 PXEJUNJIGZOCRV-IONNQARKSA-N 284.385 -0.242 50 20 CBGD CNC(=O)CCCC(=O)NNC(=O)c1cc[nH]n1 855356253 JUDRTMJADBHFJF-UHFFFAOYSA-N 253.262 -0.913 50 20 CBGD O=C(NNC(=O)[C@@H]1CCNC1=O)c1cccc(F)n1 856427763 DVXRSSGMEUJEPM-ZCFIWIBFSA-N 266.232 -0.882 50 20 CBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ncccc1[N+](=O)[O-] 857151864 NUVHLSWFBIJOIW-RNFRBKRXSA-N 279.256 -0.056 50 20 CBGD CC(C)C(=O)NNC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 858143120 FZRXNEINWFXKMN-VIFPVBQESA-N 293.327 -0.424 50 20 CBGD N#Cc1cccc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862455392 FVXRIJBRJHSBIR-NSHDSACASA-N 286.291 -0.473 50 20 CBGD CC[C@@H](C)[C@H](OC)C(=O)NNC(=O)CS(C)(=O)=O 863465993 KNPBMVHUTKKHSN-APPZFPTMSA-N 280.346 -0.761 50 20 CBGD CCN(CC)C[C@H](C)NC(=O)c1ccc(B(O)O)cc1 865806355 JFTBQZOYNUWAGI-NSHDSACASA-N 278.161 -0.174 50 20 CBGD C[C@H](O)CN(C)NC(=O)COCc1ccnn1C 910156842 MVVNSACJWLKHAN-VIFPVBQESA-N 256.306 -0.720 50 20 CBGD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NNC(C)=O 917717929 OCCVNWISTRSAQX-UHFFFAOYSA-N 289.269 -0.067 50 20 CBGD CCNC(=O)NNC(=O)[C@H](C)OC[C@H]1CCCO1 921030991 XIKXMCGKIXKSAU-DTWKUNHWSA-N 259.306 -0.079 50 20 CBGD COC(=O)C(=O)NNC(=O)NC1CC(F)(F)C1 1116782465 TUNPHERYZBGHJA-UHFFFAOYSA-N 251.189 -0.713 50 20 CBGD Cc1nnc(CC(=O)NNC(=O)c2ccncc2)o1 1324295240 PVMAIAOGRGUKFQ-UHFFFAOYSA-N 261.241 -0.223 50 20 CBGD CNC(=O)C(=O)NNc1cc(C#N)cc(Cl)n1 1325661572 FKNTUWSPSNTXDY-UHFFFAOYSA-N 253.649 -0.204 50 20 CBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1c(C)cccc1C 1326089467 GSWDBRMEYAFONL-UHFFFAOYSA-N 293.279 -0.438 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CCn2ccnc2C1 1329805580 DDAKIHWCKHYDGE-JTQLQIEISA-N 252.318 -0.209 50 20 CBGD Cc1nc2ccc(NC(=O)NNC(=O)CCO)cn2n1 1329929189 GDYGRMBVYMHUJE-UHFFFAOYSA-N 278.272 -0.427 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)N1 1330109506 WBCWMICWJVSFEC-JQCXWYLXSA-N 279.296 -0.972 50 20 CBGD CC(C)NC(=S)NNC(=O)[C@H]1CCCC(=O)N1C 1339305498 IIFNAHMHLSEJJP-MRVPVSSYSA-N 272.374 -0.099 50 20 CBGD Cn1cccc1C(=O)NNC(=O)C1=NO[C@@]2(CCNC2)C1 1579975371 ZAMARXKRVAHQHW-ZDUSSCGKSA-N 291.311 -0.706 50 20 CBGD N#C[C@@H]1CNCC12CC(C(=O)NNC(=O)c1cccnc1)C2 1580042759 AXDHFQKYGLIHGC-MQYJIDSJSA-N 299.334 -0.018 50 20 CBGD C[C@@H](CO)N(C)NC(=O)c1cccc(-c2nn[nH]n2)n1 1589882938 VBRXVDHXPKOYKP-ZETCQYMHSA-N 277.288 -0.781 50 20 CBGD CNC(=S)N(C)NC(=O)c1cccc(-c2nn[nH]n2)c1 1591215357 LYACXLDFZCOBGF-UHFFFAOYSA-N 291.340 -0.052 50 20 CBGD COC[C@@H](C)NC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1591452248 ABSMQNKAGFESNI-SSDOTTSWSA-N 292.303 -0.077 50 20 CBGD Cc1nc(C(=O)NN(C)C(N)=O)ccc1-c1nn[nH]n1 1592349112 CIYXFZDTYJMJQK-UHFFFAOYSA-N 276.260 -0.775 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)C(=O)O)CCS1 1594254440 ABSMPQLHZQGDAO-RITPCOANSA-N 261.303 -0.315 50 20 CBGD CC(=O)NNS(=O)(=O)c1cnc(C)c(C(=O)O)c1 1603052688 QFODMOFEBOSOLU-UHFFFAOYSA-N 273.270 -0.582 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1C[C@@H](C(=O)O)C1 1604833159 AZBMNZHOYHFQDG-RBXMUDONSA-N 270.285 -0.330 50 20 CBGD CCNC(=O)NNC(=O)c1ccc2c(c1)NC(=O)CO2 49165759 KJHMUDNCVJIVMX-UHFFFAOYSA-N 278.268 -0.019 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCS(=O)CC1 111223780 KFHQBBXMMAMJFS-JTQLQIEISA-N 289.401 -0.367 50 20 CBGD C=CCNC(=S)NNC(=O)[C@@H](C)CC(=O)OC 268201702 AWCWJSKVZYAZDC-ZETCQYMHSA-N 259.331 -0.133 50 20 CBGD CC(=O)NNC(=O)C1=C(C)N(C)c2ncnn2[C@@H]1C 277623815 YNIYFZPRXXGBET-SSDOTTSWSA-N 264.289 -0.270 50 20 CBGD CSC[C@H](C)NC(=O)c1cc(B(O)O)ccc1F 584949787 UTRSFPBUUHJUQY-ZETCQYMHSA-N 271.122 -0.013 50 20 CBGD CC[C@H]1COCCN1C(=O)c1ccc(B(O)O)c(F)c1 584952560 UVNNLNPXORXNAG-JTQLQIEISA-N 281.092 -0.244 50 20 CBGD CC[C@@H](O)CCCNC(=O)c1ccc(B(O)O)cc1 584954973 QJWXMEBVXSWNGY-GFCCVEGCSA-N 265.118 -0.353 50 20 CBGD N#CCCCNC(=O)c1cc(B(O)O)ccc1F 584973576 OPZKUMDTROKJCZ-UHFFFAOYSA-N 250.038 -0.461 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H](F)C[C@@H]1CO 584978828 DMKIMIOOZHDAIG-DTWKUNHWSA-N 285.055 -0.950 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H]2CCO[C@@H]2C1 584999379 SWTMQBUWLPHDNS-JOYOIKCWSA-N 279.076 -0.634 50 20 CBGD O=C(NCC12CC(CO1)C2)c1cccc(B(O)O)c1 585010042 IOAGPNCDSLRUAW-UHFFFAOYSA-N 261.086 -0.725 50 20 CBGD Cn1ccc(CCNCc2cccc(B(O)O)c2)n1 585034658 LFTYASMHEJEXMV-UHFFFAOYSA-N 259.118 -0.568 50 20 CBGD OC[C@H]1CCC[C@@H](NCc2ccc(B(O)O)o2)C1 585047032 YWTFGWTXTMUCTF-VHSXEESVSA-N 253.107 -0.400 50 20 CBGD O=S(=O)(NCB(O)O)c1ccc2c(c1)OC(F)(F)O2 585057655 WUWQDXWGZXBYPY-UHFFFAOYSA-N 295.028 -0.702 50 20 CBGD CC(C)n1cnc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)c1 585059119 ZRFHOGWJLFKQPC-SECBINFHSA-N 287.150 -0.299 50 20 CBGD COc1ccc(Cl)cc1NCC(=O)NCB(O)O 585061329 PQLXFBRBPSKQMZ-UHFFFAOYSA-N 272.497 -0.111 50 20 CBGD Cc1cc(C)cc(C(=O)NCC(=O)NCB(O)O)c1 585061967 AENXYYSQCPKDPN-UHFFFAOYSA-N 264.090 -0.839 50 20 CBGD COc1ncccc1C(=O)N1CC[C@@H](B(O)O)C1 585066347 NSWMJQPGYRTGFY-MRVPVSSYSA-N 250.063 -0.221 50 20 CBGD C[C@H](NC(N)=O)C(=O)NNC(=O)c1cccc(C#N)c1 728873519 YJLHRVFCYZLWHH-ZETCQYMHSA-N 275.268 -0.624 50 20 CBGD CCCNC(=O)NNC(=O)CCCS(C)(=O)=O 731184688 JJFRIWXTJMHPCB-UHFFFAOYSA-N 265.335 -0.448 50 20 CBGD COc1ccnc(NNC(=O)CCNC(=O)O)n1 738142696 FFORTNKTQANKJT-UHFFFAOYSA-N 255.234 -0.414 50 20 CBGD COCCCNC(=O)NNC(=O)CCN1CCOCC1 751370252 ALCWYLHVNHFNRJ-UHFFFAOYSA-N 288.348 -0.924 50 20 CBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1CCOC1 752923054 VNZVELNHMSJOOD-MRVPVSSYSA-N 250.258 -0.307 50 20 CBGD CC(=O)OCCc1cccc(NC(=O)NNC(=O)CO)c1 764704820 URIRBQSTRFLFPL-UHFFFAOYSA-N 295.295 -0.063 50 20 CBGD CC(C)[C@@](C)(O)C(=O)NNC(=O)N1CCOCC1 771289370 WNNWTBHKCPTSSG-LLVKDONJSA-N 259.306 -0.534 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1ccn(C(F)F)n1 775684209 ZEMMTKYKCWNCAZ-UHFFFAOYSA-N 289.242 -0.035 50 20 CBGD O=C(CO)NNC(=O)c1cccnc1OCC(F)(F)F 777780987 BEFYDZUGQSZARC-UHFFFAOYSA-N 293.201 -0.224 50 20 CBGD CCNC(=O)CC(=O)NNC(=O)c1c[nH]nc1C 780933901 SCHRNQURKXSYJB-UHFFFAOYSA-N 253.262 -0.995 50 20 CBGD O=C(Cn1ccc(O)nc1=O)NNc1ncncc1Cl 781820516 XZRQZDZXQDFYKO-UHFFFAOYSA-N 296.674 -0.464 50 20 CBGD O=C(NNc1ccc(-n2ccnc2)nn1)C1=COCCO1 788181723 XHONGSNGKZXQNA-UHFFFAOYSA-N 288.267 -0.006 50 20 CBGD O=C(CO)NNC(=O)c1ccc(O[C@@H]2CCOC2)cc1 790918776 CUHKFOFJFZLHCR-LLVKDONJSA-N 280.280 -0.392 50 20 CBGD Cn1nncc1C(=O)NNC(=O)c1cccc(C#N)c1 798429407 UYMYEOYIOKXGJH-UHFFFAOYSA-N 270.252 -0.238 50 20 CBGD CCN1CCO[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)C1 802032492 VCDISXHVEKCCJE-NSHDSACASA-N 293.327 -0.623 50 20 CBGD C[C@H]1C[C@@H](C(=O)NNC(=O)N2CCN(C)CC2)CCC1=O 807382227 BZBQBIWWCSZSEB-QWRGUYRKSA-N 296.371 -0.020 50 20 CBGD COCCN(C)NC(=O)[C@H](C)N1CCN(C)CC1 808074074 WZIFDOGEVZDCQV-NSHDSACASA-N 258.366 -0.768 50 20 CBGD Cc1nn(C)cc1C1=NO[C@H](C(=O)NN(C)C[C@@H](C)O)C1 822555862 BTVSYCRKDAYJJL-PELKAZGASA-N 295.343 -0.435 50 20 CBGD C=C[C@](C)(O)C(=O)NNC(=O)CNC(=O)c1ccco1 825267912 ZKKFZKJOLVEOAB-LBPRGKRZSA-N 281.268 -0.906 50 20 CBGD CCOCC(=O)NNC(=O)Nc1ccnc(OCCO)c1 825864321 PTVYTCZIZCBJRG-UHFFFAOYSA-N 298.299 -0.358 50 20 CBGD CC(C)CC(=O)NNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 827315866 VXBLDCUUMYPGQH-IUCAKERBSA-N 286.332 -0.181 50 20 CBGD CO[C@H]1CN(CC(=O)NNC(=O)C(C)C)C[C@H]1OC 829196696 MGJNKRZCRPQFPZ-AOOOYVTPSA-N 273.333 -0.865 50 20 CBGD O=C(O)[C@H]1C[C@@H]1C(=O)NNc1ncnc2[nH]cnc12 833179081 MBYRTIDLJLOKBG-WHFBIAKZSA-N 262.229 -0.483 50 20 CBGD CCO[C@H]1C[C@@H](NC(=O)NNC(=O)C(=O)N2CCCC2)C1 838749747 XYLMFYJFBXIHGJ-AOOOYVTPSA-N 298.343 -0.493 50 20 CBGD COC(=O)C1(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1 843660919 YKDFRTYAGUOYRD-YUMQZZPRSA-N 270.285 -0.488 50 20 CBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)[C@H]1CCCCO1 848158819 ZUAMAQVTPMBCET-HRDYMLBCSA-N 269.301 -0.786 50 20 CBGD CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1cnn(C)n1 853390633 GVRRMDPEEASRTH-PWSUYJOCSA-N 292.343 -0.482 50 20 CBGD CCC1(Cn2cc(C(=O)NNC(=O)C3CC3)nn2)COC1 854179742 CKRSIMGWLBTTDW-UHFFFAOYSA-N 293.327 -0.124 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@@H]1CCC(=O)N1C)C1CC1 855099808 OCCSCOQILIFTLJ-CBAPKCEASA-N 284.385 -0.099 50 20 CBGD CO[C@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(C)C 858288208 XRDVSTGCGGUBCA-DTWKUNHWSA-N 286.332 -0.734 50 20 CBGD CC(C)n1nccc1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 860295541 DIZVWZKKIBPGMN-QMMMGPOBSA-N 294.315 -0.105 50 20 CBGD CC(C)COCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862452327 VPHZTSAPSZNQPV-VIFPVBQESA-N 271.317 -0.525 50 20 CBGD COCCOCC(=O)NNC(=O)[C@@H]1CCN1C(C)(C)C 862993081 LZODPIZATHBJMB-JTQLQIEISA-N 287.360 -0.330 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@]2(CCOC2)C1 866503425 QQXHGSFCJXXRPW-CQSZACIVSA-N 275.113 -0.381 50 20 CBGD CN1C(=O)[C@@H]2CN(C(=O)NNC(=O)C(C)(C)C)C[C@@H]2C1=O 868230694 LNDPQVHJWRUJRP-OCAPTIKFSA-N 296.327 -0.680 50 20 CBGD COCCOCC(=O)NNC(=O)c1cnc(F)cc1C 869916360 XQLVLTOCLGQGCM-UHFFFAOYSA-N 285.275 -0.047 50 20 CBGD O=C(COCC(F)(F)F)NNC(=O)c1cccnn1 882060676 SJTPGNSIENLBDX-UHFFFAOYSA-N 278.190 -0.184 50 20 CBGD C#CCSCC(=O)NNC(=O)N1CCOCC1 900426561 FBQKRRNSPSOHFM-UHFFFAOYSA-N 257.315 -0.574 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(C(C)(C)C)n[nH]1 916161685 MVSVKTFRTNVYGC-UHFFFAOYSA-N 295.343 -0.007 50 20 CBGD O=C(Cn1cnnn1)NNC(=O)c1ccccc1Cl 1115817343 VTFFIOLUBZNUMH-UHFFFAOYSA-N 280.675 -0.212 50 20 CBGD Cn1ccc(C(=O)NNC(=O)NCC(F)(F)F)n1 1116895712 AMTVPFRXHDMWGU-UHFFFAOYSA-N 265.195 -0.074 50 20 CBGD O=C(NNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21)C1CCOCC1 1120077852 KNCVWUIJDDIFSQ-INTQDDNPSA-N 266.297 -0.215 50 20 CBGD CC(C)C(=O)NNC(=O)C(=O)Nc1cc2n(n1)CCCC2 1260073050 BZSGDZGRIYFNEQ-UHFFFAOYSA-N 293.327 -0.039 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1cccn1C 1317756228 GUTUDAPYTUWZPO-UHFFFAOYSA-N 252.274 -0.689 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1csnn1 1318121148 DDLSCDCZYJPDOT-UHFFFAOYSA-N 295.280 -0.678 50 20 CBGD N#CC1(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CCC1 1318649916 VXKNLGSNVCBNRN-MRVPVSSYSA-N 285.325 -0.738 50 20 CBGD CN(C)C(=O)NNS(=O)(=O)c1cnc(Cl)n1C 1319194901 FYJRMHCKGIRFAF-UHFFFAOYSA-N 281.725 -0.462 50 20 CBGD Cc1nnccc1C(=O)NNC(=O)c1cnn(C)c1 1319552647 RZPRESLNVKDDMS-UHFFFAOYSA-N 260.257 -0.407 50 20 CBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cnn(CC)c1 1324369172 HDRKVTFHURVADM-UHFFFAOYSA-N 282.304 -0.466 50 20 CBGD Cn1nncc1NNC(=O)CCNC(=O)c1ccco1 1326342894 KAERLKSRXDXWBA-UHFFFAOYSA-N 278.272 -0.329 50 20 CBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)CCN1C 1329735954 QPFWWWYJEADBKW-SCZZXKLOSA-N 280.332 -0.164 50 20 CBGD C[C@@H](CO)N(C)NC(=O)Cc1nc2ncccn2n1 1329863164 WOUOCHBXDXSGTG-QMMMGPOBSA-N 264.289 -0.989 50 20 CBGD CS(=O)(=O)C1(C(=O)N2CC[C@@H](B(O)O)C2)CCCC1 1331896163 PNWSYGIIAGBHEF-SECBINFHSA-N 289.162 -0.581 50 20 CBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)C1CCOCC1 1333518872 HWWMZBQHUHNMMD-SNVBAGLBSA-N 269.301 -0.819 50 20 CBGD CNC(=S)N(C)NC(=O)[C@H]1CCCS(=O)(=O)C1 1334440235 IXNZTXPSPNLROX-ZETCQYMHSA-N 279.387 -0.722 50 20 CBGD O=C(N[C@H]1CN2CCC1CC2)c1ccc(B(O)O)cc1 1336083137 YJMRVOLZSRXVFW-ZDUSSCGKSA-N 274.129 -0.810 50 20 CBGD CO[C@H]1CCC[C@@H]1C(=O)NNC(=O)N1CCN(C)CC1 1353680141 WIIRYVZJORZGTN-QWRGUYRKSA-N 284.360 -0.210 50 20 CBGD CCn1cc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)nn1 1550697939 YLROGDDRIIOODM-VXGBXAGGSA-N 292.343 -0.389 50 20 CBGD O=C(NNc1cc(F)c(F)cc1F)C1(O)CNC1 1574334779 WMIAJXPBYJOGMD-UHFFFAOYSA-N 261.203 -0.119 50 20 CBGD O=C(NNC(=O)[C@@]1(C(=O)O)CCCO1)[C@H]1CCCCO1 1594783286 YMNSCTIZLBWZHY-PRHODGIISA-N 286.284 -0.663 50 20 CBGD CC(C)(C)[C@H](C(=O)O)C(=O)NNC(=O)[C@@H]1COCCO1 1602852805 QKJHUOLTNIAKEU-YUMQZZPRSA-N 288.300 -0.704 50 20 CBGD CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)c1cc[nH]n1 1602970108 LMGZCBFIBUROJW-SSDOTTSWSA-N 254.246 -0.473 50 20 CBGD CC(C)NC(=O)NNC(=S)NCCCC(=O)O 1603902598 AUPRQPIKHSDMLQ-UHFFFAOYSA-N 262.335 -0.062 50 20 CBGD C[C@@H](Oc1ccccc1C=NNC(=O)CO)C(=O)O 1604443328 MPXOIJAMIKIOTD-MRVPVSSYSA-N 266.253 -0.019 50 20 CBGD O=C(O)[C@@H]1CC[C@H](C(=O)NNc2ncccn2)O1 1608804306 GATDBXAMLSLIQK-RQJHMYQMSA-N 252.230 -0.448 50 20 CBGD CO[C@@H](CNC(=O)NNC(=O)C(=O)O)c1ccccc1 1610226241 CWKGZMITEQEYGK-VIFPVBQESA-N 281.268 -0.211 50 20 CBGD O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CC1 9889538 LMDQVRWWQJFYSL-UHFFFAOYSA-N 292.251 -0.366 50 20 CBGD CN1CCO[C@H](C(=O)NNc2ncnc3nc[nH]c23)C1 125062966 FXXUYHKSQRMMOS-ZETCQYMHSA-N 277.288 -0.873 50 20 CBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccccc1Cl 126487351 KNQHZDZCGMEFFW-UHFFFAOYSA-N 298.730 -0.013 50 20 CBGD CCOC(=O)C(C)(C)C(=O)NNC(=O)C(=O)NC1CC1 270591262 BNKHWHKNERDSSP-UHFFFAOYSA-N 285.300 -0.998 50 20 CBGD COC1(CC(=O)NNc2ccc(C(N)=O)nn2)CCC1 276888325 YILJLWHDRNYJST-UHFFFAOYSA-N 279.300 -0.022 50 20 CBGD CC(C)(C(=O)NNC(=O)c1ccc[nH]1)N1CCOCC1 282667328 IQCYOPGNKITFAH-UHFFFAOYSA-N 280.328 -0.114 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cnc[nH]1 287745066 HWMIBIPMCUGZRO-UHFFFAOYSA-N 270.289 -0.040 50 20 CBGD CCOC(=O)COCCNC(=O)NNC(=O)C(C)(C)C 296489986 BDFUDKJCZCRSHS-UHFFFAOYSA-N 289.332 -0.057 50 20 CBGD CCNC(=O)NNC(=O)/C=C\c1cnc(OC)nc1 493456506 SLLYPDKDYYCQAC-PLNGDYQASA-N 265.273 -0.151 50 20 CBGD CCNC(=O)N(C)NC(=O)CCN1CCOC1=O 495372953 WFYVEFPNFQKMRR-UHFFFAOYSA-N 258.278 -0.479 50 20 CBGD Cn1nc2c(c1NC(=O)c1ccc(B(O)O)cc1)CCC2 584933682 JFPMIQPSHCSCGC-UHFFFAOYSA-N 285.112 -0.159 50 20 CBGD C[C@@](O)(CNC(=O)c1ccc(B(O)O)cc1)C1CC1 584955696 VWIIICQSXRWKKI-CYBMUJFWSA-N 263.102 -0.743 50 20 CBGD C[C@@H](O)CCN(C)C(=O)c1ccc(B(O)O)cc1 584956714 GUJAGVKZTDPIIK-SECBINFHSA-N 251.091 -0.791 50 20 CBGD CC(C)[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)CCO1 584972548 ZWFVRYWTNWGSPW-ZDUSSCGKSA-N 277.129 -0.137 50 20 CBGD CC[C@@H](CC#N)NC(=O)c1cc(B(O)O)ccc1F 584976166 RJNIMKLNUFCGRM-VIFPVBQESA-N 264.065 -0.072 50 20 CBGD CN(CC1(N(C)C)CCC1)C(=O)c1ccc(B(O)O)cc1 584979109 KWPHUCMILLSUEE-UHFFFAOYSA-N 290.172 -0.077 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@]12CCOC2 584994322 NLKJFYUGFHDKGK-CQSZACIVSA-N 293.103 -0.099 50 20 CBGD O=C(NCCCC1(O)CCC1)c1ccc(B(O)O)cc1 584999676 HGHCBZOKHZLJRF-UHFFFAOYSA-N 277.129 -0.209 50 20 CBGD O=C(CCNCc1ccc(B(O)O)cc1)NC1CCCC1 585018209 IHJDNPSJAGSXII-UHFFFAOYSA-N 290.172 -0.095 50 20 CBGD C[C@@H]1CCCN1CCNCc1ccc(B(O)O)o1 585034639 SBKXIEZPGFAOSB-SNVBAGLBSA-N 252.123 -0.467 50 20 CBGD COC[C@H](NCc1cccc(B(O)O)c1)[C@H]1CCCO1 585039103 OMQMCLOCOYGYJL-UONOGXRCSA-N 279.145 -0.350 50 20 CBGD CC(C)[C@@H](NCc1ccc(B(O)O)cc1)c1nncn1C 585039989 CWWZDACQZDECIV-CYBMUJFWSA-N 288.160 -0.018 50 20 CBGD CO[C@H](CNCc1ccc(B(O)O)cc1F)[C@@H]1CCOC1 585046575 WPGMPJFYSYXSNL-BXUZGUMPSA-N 297.135 -0.353 50 20 CBGD COCC[C@@H](C)S(=O)(=O)N1CC[C@@H](B(O)O)C1 585058702 NCCOCKYFLOPYBF-RKDXNWHRSA-N 265.140 -0.710 50 20 CBGD CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCB(O)O 585059687 XAHBRUUTGZJHQX-QMMMGPOBSA-N 288.178 -0.548 50 20 CBGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NN)c1 731450471 XEFCTKXMUYRVCK-UHFFFAOYSA-N 271.298 -0.843 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCO[C@@H](C#N)C1 732201640 IEWJQWCCCUEORI-QWRGUYRKSA-N 282.344 -0.207 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H](C)CCOC 748628390 VBLPEPMSLRNGRF-ZJUUUORDSA-N 291.348 -0.207 50 20 CBGD O=C(NCCCn1ccnc1)NNC(=O)[C@H]1CCOC1 748718710 RMHUUBLUBPQOAI-JTQLQIEISA-N 281.316 -0.360 50 20 CBGD COc1nccnc1NNC(=O)c1nccnc1N 764465133 WGFLHDJDUHNVDO-UHFFFAOYSA-N 261.245 -0.386 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CC1(CO)CC1 772188520 QQARCVGEBFIKGN-MRVPVSSYSA-N 272.301 -0.362 50 20 CBGD CNC(=O)NNC(=O)c1ccnc(OCCOC)c1 777368678 OSVRWCQLUALGDV-UHFFFAOYSA-N 268.273 -0.319 50 20 CBGD CN(NC(=O)COc1cccc(C=O)c1)C(N)=O 778418865 UGCCOHFMLYKVOL-UHFFFAOYSA-N 251.242 -0.080 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cccnc1-n1cccn1 787944557 AQSJWNBVMBCAND-UHFFFAOYSA-N 289.295 -0.201 50 20 CBGD C[C@@H]1CC(=O)CC[C@@H]1C(=O)NNC(=O)N1CCN(C)CC1 807379836 FWKNXGIFJZIUTL-PWSUYJOCSA-N 296.371 -0.020 50 20 CBGD Cc1cc(C(=O)NNC(=O)Nc2cnnn2C)n[nH]1 809908475 SVTMTCUONKISGT-UHFFFAOYSA-N 264.249 -0.687 50 20 CBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)c1ccccc1O 816830467 HYMQQYJGBQLYEW-YUMQZZPRSA-N 277.280 -0.335 50 20 CBGD CCN(CCO)NC(=O)[C@H](C)n1nnnc1C(C)(C)C 823873532 CPCXPXOGJTYMNC-VIFPVBQESA-N 284.364 -0.123 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1COCCN1CC(F)F 823934639 IRDGIZCXYNQRKE-DTWKUNHWSA-N 281.303 -0.704 50 20 CBGD CCOC(=O)Cn1cnc(NC(=O)NNC(=O)C2CC2)n1 824448736 LMBALERJSSSMMM-UHFFFAOYSA-N 296.287 -0.596 50 20 CBGD O=C(NNc1ncccn1)c1ccc(-c2nn[nH]n2)[nH]1 826449982 RNUJDLHTUXUELC-UHFFFAOYSA-N 271.244 -0.258 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@@](O)(CC#N)C1 829991058 CJWPGWLJJZIPPA-FZMZJTMJSA-N 296.371 -0.081 50 20 CBGD CO[C@@H](CN)CC(=O)NNc1nc(-c2cccnc2)no1 831890781 XUCZIUMTQAXPCI-SECBINFHSA-N 292.299 -0.062 50 20 CBGD O=C(NNC(=O)[C@H]1CN2CCCN1CC2)[C@@H]1CCCCO1 833242258 JDJGZCGJBLOLPY-NEPJUHHUSA-N 296.371 -0.907 50 20 CBGD CCO[C@@H]1CC(=NNC(=O)C(=O)NC(C)C)[C@H]1OC 841616436 KKCSZVSCJNKLAB-NXEZZACHSA-N 271.317 -0.193 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1NC(=O)O[C@H]1C 843970878 MMDIAAZCRYMTMT-XAMCCFCMSA-N 271.273 -0.944 50 20 CBGD COC[C@@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CC1 858311319 FBDUYKQYXFOPBA-RKDXNWHRSA-N 284.316 -0.980 50 20 CBGD C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862454595 WKCURNVGFOLUMM-YTWAJWBKSA-N 296.371 -0.326 50 20 CBGD C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862461288 JKTNFWHSRVZSFJ-WHQQTDPMSA-N 269.301 -0.774 50 20 CBGD CO[C@@](C)(C(=O)NNC(=O)c1cn[nH]c1)C1CC1 862469830 CPFZAPQMSKUPNL-LLVKDONJSA-N 252.274 -0.014 50 20 CBGD O=C(NCC(=O)C1CCCC1)c1cccc(B(O)O)c1 863887184 DRLPTWYWVWMOPE-UHFFFAOYSA-N 275.113 -0.145 50 20 CBGD COC(=O)N(C)NC(=O)/C=C\CN1CCOCC1 868241794 ZAOMDXIFEWLRNL-ARJAWSKDSA-N 257.290 -0.396 50 20 CBGD COC(C)(C)c1cn(CC(=O)NNC(=O)C(C)C)nn1 881299712 UDDJWHFSARRWJP-UHFFFAOYSA-N 283.332 -0.037 50 20 CBGD COC(=O)CC(=O)NNC(=S)N[C@@H](C)C1CC1 912159566 HNIRYVWGFQGUDB-LURJTMIESA-N 259.331 -0.157 50 20 CBGD C[C@H](NNC(=O)C1CN(S(C)(=O)=O)C1)C(F)(F)F 912898621 NPWQEZBJIDXRNK-YFKPBYRVSA-N 289.279 -0.551 50 20 CBGD O=C(CN1CCCCCC1=O)NNC(=O)c1cn[nH]c1 916144176 RNKFOYUAAGVBHN-UHFFFAOYSA-N 279.300 -0.427 50 20 CBGD COCCCNC(=O)NNC(=O)/C=C/c1cn(C)cn1 930732852 BJQAFDMTDWGRCD-SNAWJCMRSA-N 281.316 -0.200 50 20 CBGD CO[C@H](C=NNC(=O)c1ncon1)[C@H]1CCOC1 1120246499 ROJAXHFCMWWAMJ-JGVFFNPUSA-N 254.246 -0.163 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccc(S(N)(=O)=O)cc1 1321135898 INEWJNBNMLULBM-UHFFFAOYSA-N 286.313 -0.750 50 20 CBGD CO[C@H](C)CCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1323668551 ZHLMKTNKGCYRGZ-BDAKNGLRSA-N 292.357 -0.616 50 20 CBGD CCSCCCNC(=O)NNC(=O)C(=O)OC 1325203378 YBRQOTQAEORHHL-UHFFFAOYSA-N 263.319 -0.367 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccncn1 1326768088 ZXUARKGTFINUHD-WPRPVWTQSA-N 279.300 -0.268 50 20 CBGD CCc1ncc(C=NNC(=O)CS(C)(=O)=O)cn1 1329195776 KHSSCWHIBJGSLI-UHFFFAOYSA-N 270.314 -0.466 50 20 CBGD O=C(NCC(=O)N1CCCCC1)NNC(=O)c1cn[nH]c1 1329722698 OEKDJYULKJEMCL-UHFFFAOYSA-N 294.315 -0.634 50 20 CBGD CC(C)n1nccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331690102 HEKLYXYWXDCLLG-QMMMGPOBSA-N 279.300 -0.496 50 20 CBGD N#CCCNC(=O)NNC(=O)CNC(=O)c1ccco1 1344001924 IJTGBNNQLORMPL-UHFFFAOYSA-N 279.256 -0.747 50 20 CBGD N#Cc1cccc(NNC(=O)c2cn(CC(N)=O)nn2)c1 1351045056 YGSBSKDCXKZBFD-UHFFFAOYSA-N 285.267 -0.608 50 20 CBGD CCc1nocc1C=NNC(=O)[C@@H]1CCC(=O)N1 1351652494 ZPWVRZJSAZHZBX-VIFPVBQESA-N 250.258 -0.034 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@]1(C(=O)O)CCCO1 1574415794 IQKPZXFAYMBFHZ-LLVKDONJSA-N 282.256 -0.887 50 20 CBGD CC[C@H](O)[C@H](C)C(=O)NNC(=O)[C@H]1CCCNC1 1577181793 HILBELXCKQKVOJ-GUBZILKMSA-N 257.334 -0.460 50 20 CBGD CCc1ccc([C@H](COC)NC(=O)NNC(=O)C(=O)O)o1 1597513376 SLQBGSVSVYJRAQ-QMMMGPOBSA-N 299.283 -0.056 50 20 CBGD COC(=O)C(=O)NN[C@@H](C(=O)O)c1cccc(C#N)c1 1598685240 TURQSCVCJCHKGY-SECBINFHSA-N 277.236 -0.522 50 20 CBGD COC(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)o1 1604950782 KEDAFTKEMQMALV-UHFFFAOYSA-N 288.245 -0.991 50 20 CBGD O=C(O)CC[C@@H]1C[C@@H](C(=O)NNC(=O)c2cn[nH]c2)CO1 1606110830 BJULVVSDIWHHNH-VXNVDRBHSA-N 296.283 -0.559 50 20 CBGD CC[C@H](C(=O)O)C(=O)NNC(=O)Cc1cccnc1 1609886043 CRUMNHQAMISYCD-VIFPVBQESA-N 265.269 -0.118 50 20 CBGD COC(=O)C(=O)NN[C@@H](C(=O)O)c1ccccc1 1610150158 YJRLAQDBQJWBQJ-MRVPVSSYSA-N 252.226 -0.394 50 20 CBGD O=C(NCCc1cccc(F)c1)NNC(=O)C(=O)O 1610694082 IEEGWZMBCAKLHF-UHFFFAOYSA-N 269.232 -0.217 50 20 CBGD O=C(C(O)O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1 1843361391 DELKQTNKYVHKHP-LURJTMIESA-N 280.683 -0.965 50 20 CBGD O=C(CNC(=O)c1ccco1)NNC(=O)NC1CC1 49129136 BKYDIHWIWVBDJI-UHFFFAOYSA-N 266.257 -0.498 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1nccnc1N 73278803 OMOGURMFAXAGFE-UHFFFAOYSA-N 260.257 -0.528 50 20 CBGD CN(C)CCCNC(=O)c1cccc(B(O)O)c1 203863437 PUFPUKYSYIQZCR-UHFFFAOYSA-N 250.107 -0.952 50 20 CBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1CCCSC1 267264612 DESBTMASIILKOQ-MRVPVSSYSA-N 286.357 -0.509 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)C1(O)CCCCC1 267928240 MYNYQTXVUPAQHB-UHFFFAOYSA-N 271.317 -0.646 50 20 CBGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)C1CCC1 268312085 BYIVLQXIKIJACT-UHFFFAOYSA-N 279.296 -0.190 50 20 CBGD CN(NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)C(N)=O 271357158 PEKKBZBGMZRPNN-OCAPTIKFSA-N 282.300 -0.797 50 20 CBGD CO[C@H](C)CCC(=O)NNC(=O)C(=O)N1CCCC1 272845309 PGBYPYQQGVVGNR-SECBINFHSA-N 271.317 -0.429 50 20 CBGD COCC1(C(=O)NNC(=O)c2cnn(C)c2)CCC1 284344564 MMHWVIUMEMLSCP-UHFFFAOYSA-N 266.301 -0.002 50 20 CBGD C[C@@H]1CC(=O)N[C@H](C(=O)NNC(=O)C2CCC2)C1 293787732 QMAKXSVCDLRVPT-CBAPKCEASA-N 253.302 -0.151 50 20 CBGD C#CCN1CCC(C(=O)NNC(=O)NCCCOC)CC1 299367538 USTQSEJDADJADD-UHFFFAOYSA-N 296.371 -0.302 50 20 CBGD COC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584951424 QHDLYQIRTYKFPS-SNVBAGLBSA-N 263.102 -0.525 50 20 CBGD O=C(N[C@H]1CCCOCC1)c1ccc(B(O)O)c(F)c1 584970446 CKLJNGIWYSMCNM-JTQLQIEISA-N 281.092 -0.196 50 20 CBGD CC(C)COC[C@@H](O)CNCc1ccc(B(O)O)cc1 585018754 RELBVUWIMDESEB-AWEZNQCLSA-N 281.161 -0.511 50 20 CBGD CN(C)[C@H]1CCC[C@@H](NCc2ccc(B(O)O)o2)C1 585025933 GTCVCRZWLXYCPV-MNOVXSKESA-N 266.150 -0.078 50 20 CBGD OC[C@@H](CC1CC1)NCc1ccc(B(O)O)cc1F 585030732 YMUZSTDFHPSAKY-GFCCVEGCSA-N 267.109 -0.244 50 20 CBGD CCc1ncc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)s1 585058352 DGUJOYYWDVTSGG-SSDOTTSWSA-N 290.175 -0.057 50 20 CBGD CC(=O)NNC(=O)CNC(=O)c1ccc(C#N)cc1 726980410 XIVKLXDBXGRZFA-UHFFFAOYSA-N 260.253 -0.545 50 20 CBGD O=C(COC[C@@H]1CCCO1)NNc1ncnc2[nH]cnc12 743471459 ISJROAQBVYHFHO-QMMMGPOBSA-N 292.299 -0.008 50 20 CBGD O=C(NNC(=O)c1ccc(Cl)o1)C(=O)NC1CC1 744463544 KFAQCJSOAKTPPS-UHFFFAOYSA-N 271.660 -0.027 50 20 CBGD CC(=O)NCC(=O)NCC(=O)NNc1cccc(C#N)c1 748041470 RLEPMKMOOZIYDR-UHFFFAOYSA-N 289.295 -0.746 50 20 CBGD COC(=O)Cc1csc(NC(=O)NNC(=O)CO)n1 755419749 IIHRPGWSMZQSEH-UHFFFAOYSA-N 288.285 -0.996 50 20 CBGD COCC(=O)NNC(=O)Nc1ccc(OC)nc1OC 756247401 FKAKPFBBPNMXGM-UHFFFAOYSA-N 284.272 -0.102 50 20 CBGD CCC(CC)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758048355 RYFMQHWYADQEFM-ZETCQYMHSA-N 279.362 -0.492 50 20 CBGD CO[C@@H](C)C(C)=NNC(=O)[C@@H]1CCS(=O)(=O)C1 763148832 GFVHEGJEYVMEKF-DTWKUNHWSA-N 262.331 -0.052 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNc1nccnc1OC 764481984 PGCPGLSLAWIQGT-ZETCQYMHSA-N 267.289 -0.157 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cc([N+](=O)[O-])cnc1N 768260350 BUODVISGQOPXJS-UHFFFAOYSA-N 283.244 -0.896 50 20 CBGD COc1cc(C=NNC(=O)CO)cc2c1OCO2 776783565 PNPURVRZFHAJAK-UHFFFAOYSA-N 252.226 -0.134 50 20 CBGD Cc1onc(CC(=O)NNC(=O)NC2CC2)c1C#N 779503353 MGKKUKJHRYXSPE-UHFFFAOYSA-N 263.257 -0.110 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccc(=O)n(CCOC)c1 780709539 FRWLCXQTTXCGPS-UHFFFAOYSA-N 296.327 -0.199 50 20 CBGD Cc1cccnc1NNC(=O)CN1CCN(C)C(=O)C1 791213656 NIAZXGMQOUYCAB-UHFFFAOYSA-N 277.328 -0.393 50 20 CBGD CCCCNC(=O)NNC(=O)c1ccn2nnnc2c1 823762683 IMQFDRWSVWKKCV-UHFFFAOYSA-N 277.288 -0.132 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cnn(CCN(C)C)c1 823918049 QUWBLNQKUVNABM-SNVBAGLBSA-N 269.349 -0.598 50 20 CBGD O=C(CC1CC1)NNC(=O)Cn1nc2n(c1=O)CCCC2 846228625 PGDLLAHITLTAPY-UHFFFAOYSA-N 293.327 -0.671 50 20 CBGD Cc1nc(CN2CCN(S(=O)(=O)CCl)CC2)n[nH]1 849423606 UCFYOKJUJUKHGJ-UHFFFAOYSA-N 293.780 -0.243 50 20 CBGD CNC(=S)N(C)NC(=O)C(C)(C)N1CCOCC1 854919831 GZMFMWYXXVBCEX-UHFFFAOYSA-N 274.390 -0.436 50 20 CBGD Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)nc1 860910555 QXKZDOFCDTZAKU-QMMMGPOBSA-N 277.284 -0.179 50 20 CBGD COCCCn1cc(C(=O)NNC(=O)c2cc[nH]n2)cn1 862168475 ZZBAPCPJDQDCOH-UHFFFAOYSA-N 292.299 -0.283 50 20 CBGD CS[C@@H](C)CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862457440 JPLFDMXNWOATQB-BQBZGAKWSA-N 259.331 -0.446 50 20 CBGD CN(C)CC(=O)NNC(=O)[C@H]1CCN1C1CCCC1 862469087 YHKIDTZAKBXKPW-LLVKDONJSA-N 268.361 -0.288 50 20 CBGD CN(C)C(=O)CCCC(=O)NNC(=O)c1cn[nH]c1 862471642 JANKIWHOHGMNBC-UHFFFAOYSA-N 267.289 -0.571 50 20 CBGD CC(C)(C)OC(=O)NCCNCc1ccc(B(O)O)cc1 863891465 RDRMCJAEOSBOBO-UHFFFAOYSA-N 294.160 -0.019 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCNC1=O 869068427 PZXXJZGDMAXODI-XHNCKOQMSA-N 269.301 -0.915 50 20 CBGD COCCOCC(=O)NNC(=O)[C@H](C)[C@@H](C)COC 869904420 YDWOZTOOGZRARH-VHSXEESVSA-N 276.333 -0.285 50 20 CBGD CC(C)CO[C@H](C)C(=O)NNC(=O)C(=O)NC(C)C 917621671 BJPYBUZRWRSCBN-SECBINFHSA-N 273.333 -0.281 50 20 CBGD CCCCNC(=O)NNC(=O)CN1CCCNC1=O 920821723 GFOYPCYUJCYPDF-UHFFFAOYSA-N 271.321 -0.468 50 20 CBGD CN1CC[C@@H]1CNC(=O)NNC(=O)N=c1cc[nH]cc1 925424524 MLEWIRUCNXQPRL-SNVBAGLBSA-N 278.316 -0.457 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CCn2ccnc21 931521315 FILDLGJILALUQN-QMMMGPOBSA-N 251.290 -0.351 50 20 CBGD O=C(CN1CC[C@H]1CO)NNC(=O)c1ccccc1 934021409 FMVCNJYLWKJIRJ-NSHDSACASA-N 263.297 -0.486 50 20 CBGD CCCNC(=O)NNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 1261792898 PMIFZXSXPMUGEC-SFYZADRCSA-N 256.306 -0.359 50 20 CBGD C#CCOCCC(=O)NNC(=O)C(=O)Nc1ccccn1 1319593128 KVYJHDOFQAYUBE-UHFFFAOYSA-N 290.279 -0.793 50 20 CBGD CC(F)(F)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1324253901 MWWUMBFUWYYYBG-RXMQYKEDSA-N 270.257 -0.776 50 20 CBGD Cn1nnc2c1C[C@@H](C(=O)NNC(=O)NC1CC1)CC2 1326052743 BBWHPMZTFFOKFA-ZETCQYMHSA-N 278.316 -0.587 50 20 CBGD CN(NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C1CC1 1326637864 RWXGJKXRVADKOQ-JTQLQIEISA-N 275.374 -0.769 50 20 CBGD Cn1cc(/C=C(/C#N)C(=O)N[C@@]2(C(N)=O)CCOC2)cn1 1327126929 HXEPVURBXDIRGJ-FSIMMPEJSA-N 289.295 -0.912 50 20 CBGD CN1CC[C@@H](C(=O)NNC(=O)C2CCOCC2)CC1=O 1334279582 LYVGVNIEIZUHBR-SNVBAGLBSA-N 283.328 -0.571 50 20 CBGD COCc1nn(C)cc1C(=O)NN(C)C[C@H](C)O 1339539445 MAUROBJIDRJOSU-QMMMGPOBSA-N 256.306 -0.476 50 20 CBGD CN(C)C1(CNC(=O)NNC(=O)c2ncccn2)CC1 1339914004 KPXSZCRHJSNIKK-UHFFFAOYSA-N 278.316 -0.485 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1nccn1C 1347048883 XHUBJNLBDFEMDJ-NXEZZACHSA-N 280.328 -0.075 50 20 CBGD CC(C)c1ncc(S(=O)(=O)NNC(=O)c2cn[nH]c2)[nH]1 1351661539 FBELHWMLZUXSKA-UHFFFAOYSA-N 298.328 -0.121 50 20 CBGD CN1CCN(C(=O)NNC(=O)CCNCC2CC2)CC1 1578533061 MRCXNJAWHMUKOJ-UHFFFAOYSA-N 283.376 -0.636 50 20 CBGD C[C@]1(C(=O)NNC(=O)NCC2(C(=O)O)CC2)CCCO1 1593756589 YTTAYQHZSJUDPD-LLVKDONJSA-N 285.300 -0.249 50 20 CBGD COCCCNC(=O)NNC(=O)c1cc(C(=O)O)nn1C 1593994425 DVARNVKAORYEQY-UHFFFAOYSA-N 299.287 -0.901 50 20 CBGD COc1nccnc1NNC(=O)[C@](C)(C#N)CC(=O)O 1594159042 AWCJHXNWUYVHNQ-NSHDSACASA-N 279.256 -0.067 50 20 CBGD Cc1cccc(NNC(=O)Cn2cc(C(=O)O)nn2)n1 1600542704 XQPYBULAIZWTNR-UHFFFAOYSA-N 276.256 -0.177 50 20 CBGD COCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1609316443 ZVPSRBZGUOOVGA-UHFFFAOYSA-N 276.256 -0.726 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)c1cnn(C)c1)N(C)C1CC1 118072130 UZMCFJGOLAATOK-VIFPVBQESA-N 294.359 -0.153 50 20 CBGD C#CCCCCC(=O)NNC(=O)C(=O)N1CCCC1 179887560 SHSTYVBKGASORV-UHFFFAOYSA-N 265.313 -0.050 50 20 CBGD CCNc1nc(C(=O)NNC(=O)CN(C)C)cs1 269296583 WNYAEJMBBXEJLL-UHFFFAOYSA-N 271.346 -0.103 50 20 CBGD COC(=O)N(C)CC(=O)NNc1nc2ccccn2n1 276897758 ZNTFZSBALMWXKL-UHFFFAOYSA-N 278.272 -0.129 50 20 CBGD C=CC(=O)NCCC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 293824304 FOMAHNBLADJYKM-IUCAKERBSA-N 269.301 -0.606 50 20 CBGD CCCS(=O)(=O)CC(=O)NNC(=O)c1ccncc1 299086339 KCUULBRGHBRDLA-UHFFFAOYSA-N 285.325 -0.333 50 20 CBGD O=C(CN1CCSC1=O)NNC(=O)N1CCOCC1 299365326 JSQUXCOPNXCISZ-UHFFFAOYSA-N 288.329 -0.772 50 20 CBGD CC(=O)NNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 376239860 MFVOIPQTDRESJE-SECBINFHSA-N 287.316 -0.210 50 20 CBGD Cc1cccc(C(=O)NNC(=O)CCN2CCOC2=O)n1 492287334 DMUDQKDRVGNBMO-UHFFFAOYSA-N 292.295 -0.007 50 20 CBGD C[C@H](O)C[C@H](C)CNC(=O)c1cccc(B(O)O)c1 584950401 LZUAOHIFCDXZII-UWVGGRQHSA-N 265.118 -0.497 50 20 CBGD C[C@H](O)CCN(C)C(=O)c1ccc(B(O)O)cc1 584956716 GUJAGVKZTDPIIK-VIFPVBQESA-N 251.091 -0.791 50 20 CBGD CCN1CCC[C@H](CNC(=O)c2cccc(B(O)O)c2)C1 584968034 GPBAEBZXHOAUFS-GFCCVEGCSA-N 290.172 -0.172 50 20 CBGD CC(C)(O)C1CN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584979266 PCTVWQCBVRHVBN-UHFFFAOYSA-N 281.092 -0.652 50 20 CBGD O=C(N[C@H](CO)C1CCCC1)c1cc(B(O)O)ccc1F 584991230 WPPHHBFMBKDONO-CYBMUJFWSA-N 295.119 -0.214 50 20 CBGD CN(C)[C@H]1[C@@H]2CN(C(=O)c3ccc(B(O)O)c(F)c3)C[C@@H]21 584996785 PSLDXBIVWJPIAQ-IWIIMEHWSA-N 292.119 -0.863 50 20 CBGD C[C@@H](CO)C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 585003973 ZUHKLOHLXNJSKF-NSHDSACASA-N 291.156 -0.153 50 20 CBGD OB(O)c1ccc(CNCCn2cccn2)c(F)c1 585018382 KIMMFXWQEHRSCS-UHFFFAOYSA-N 263.081 -0.508 50 20 CBGD O=C1NCCCC[C@H]1NCc1ccc(B(O)O)cc1 585033809 CXYRQSXEPBXMSP-GFCCVEGCSA-N 262.118 -0.875 50 20 CBGD O=C(NCB(O)O)c1ccc(OC2CCOCC2)cc1 585062170 RFMLGYLNMCBKHJ-UHFFFAOYSA-N 279.101 -0.014 50 20 CBGD O=C(NCB(O)O)c1ccnc(OCC(F)(F)F)c1 585062575 JXVWRJOUYLCSGZ-UHFFFAOYSA-N 277.995 -0.236 50 20 CBGD CC1(C)[C@@H](C(=O)N2CC[C@@H](B(O)O)C2)[C@H]1C(=O)O 585063496 AUMBZTVCEKARSZ-PRJMDXOYSA-N 255.079 -0.582 50 20 CBGD CO[C@H](C)CCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 726713549 GTKBVTGDFOJLGI-MWLCHTKSSA-N 293.389 -0.208 50 20 CBGD CC(C)(C(=O)NNC(=S)NCC(N)=O)c1ccccc1 731161313 VFXSEHURBPOSEN-UHFFFAOYSA-N 294.380 -0.055 50 20 CBGD O=C(NCCN1C(=O)CNC1=O)NNC(=O)C1CCCC1 733657540 KJMUETPYASRSQF-UHFFFAOYSA-N 297.315 -0.941 50 20 CBGD Cc1cc(C(=O)NNC(=O)c2cnn(C)c2)n(C)n1 735445529 ZFEPAMBPJSNGNK-UHFFFAOYSA-N 262.273 -0.463 50 20 CBGD O=C(NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccc[nH]1 747663916 SZPIBQCPRITCSG-MRVPVSSYSA-N 276.296 -0.213 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)N[C@H]1CCOC1 752168891 MUOOXEWJPIMFHW-JTQLQIEISA-N 264.285 -0.257 50 20 CBGD C[C@H](NCC(=O)NNC(=O)C1CC1)c1cnn(C)c1 754778800 JCOIOLLVKJTLJD-QMMMGPOBSA-N 265.317 -0.372 50 20 CBGD COC[C@@H](C)CC(=O)NNC(=O)c1cnn(C)c1 755325268 GDHUEHLZTLBJOC-QMMMGPOBSA-N 254.290 -0.146 50 20 CBGD COCC(=O)Nc1ccc(NC(=O)NNC(=O)CO)cc1 755637033 ALBYPFMZISNHPU-UHFFFAOYSA-N 296.283 -0.584 50 20 CBGD Cn1cc(C(=O)NNC(=O)C2(O)CCSCC2)cn1 765049737 DKKOLUUFMXOGKR-UHFFFAOYSA-N 284.341 -0.561 50 20 CBGD CNC(=O)NNS(=O)(=O)c1cncc(Cl)c1 768273000 BECQILHPPQVHFR-UHFFFAOYSA-N 264.694 -0.143 50 20 CBGD CCS(=O)(=O)NCC(=O)NNc1nc2ccccc2[nH]1 768507196 NXJPOVLLAUIWLK-UHFFFAOYSA-N 297.340 -0.055 50 20 CBGD CC(=O)NNC(=O)[C@](C)(O)Cn1ccc(C)cc1=O 790471907 MQJCVEFXAHRJJY-GFCCVEGCSA-N 267.285 -0.925 50 20 CBGD CS(=O)(=O)C1(C(=O)NNC(=O)c2ccc[nH]2)CCC1 792852476 KEISMVCLYWWICD-UHFFFAOYSA-N 285.325 -0.257 50 20 CBGD CN1CCC[C@H]1C(=O)NNC(=O)NCC(F)(F)F 798315827 BUNJUIDEDKTOGH-LURJTMIESA-N 268.239 -0.027 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H](F)C(F)(F)F)CC1 811421044 TVLGTMVYMRAKMC-ZCFIWIBFSA-N 286.229 -0.125 50 20 CBGD CN1C(=O)CC[C@H](NC(=O)NNc2ncccn2)C1=O 824794417 PVVCWZSEAQULMO-ZETCQYMHSA-N 278.272 -0.750 50 20 CBGD CN(NC(=O)COc1ccccc1-c1nn[nH]n1)C(N)=O 826004175 MILKFKMACLSJJS-UHFFFAOYSA-N 291.271 -0.713 50 20 CBGD O=C(NNC(=O)C1CCC1)c1ccc(-c2nn[nH]n2)[nH]1 826444814 VQNXUORFZOIMCV-UHFFFAOYSA-N 275.272 -0.244 50 20 CBGD COCC(COC)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 826918609 XKOVHVMYGVINFJ-PSASIEDQSA-N 289.332 -0.597 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 827269243 WNSCWAYXJASTHW-WRWGMCAJSA-N 296.371 -0.212 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N(C)CCn1cccn1 827300406 QNMJFELLBXDVDH-GHMZBOCLSA-N 295.343 -0.019 50 20 CBGD C[C@@H](C[C@@H](C)N)NC(=O)NNC(=O)N=c1cc[nH]cc1 831223867 NSFOFGDEVZJHKF-BDAKNGLRSA-N 280.332 -0.035 50 20 CBGD C[C@H](CN)NC(=O)NNC(=O)COc1ccc(F)cc1 841969747 QCHNTULCJFYRQY-MRVPVSSYSA-N 284.291 -0.118 50 20 CBGD C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ncnn1C 842522282 WRDNALBAQMSCGY-JTQLQIEISA-N 280.332 -0.767 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnn2c1OCCC2 843970105 BJASBIKCZOQWEO-RKDXNWHRSA-N 294.311 -0.148 50 20 CBGD CCONC(=O)CNC(=O)NNc1cccc(F)n1 846723037 DRXZNXLCBFOKJG-UHFFFAOYSA-N 271.252 -0.086 50 20 CBGD COCCCNC(=S)N(C)NC(=O)CNC(=O)OC 854280498 UYNCVFMNNPVWBL-UHFFFAOYSA-N 292.361 -0.784 50 20 CBGD COCCCNC(=S)N(C)NC(=O)c1cnc[nH]1 854282044 PVPAEHYNBWTPHZ-UHFFFAOYSA-N 271.346 -0.103 50 20 CBGD COCCOCC(=O)NNC(=S)NCC1CCC1 855091381 NRVDGPCHVSXHPS-UHFFFAOYSA-N 275.374 -0.055 50 20 CBGD CC(=O)N[C@H](C(=O)NNC(=O)c1cc[nH]n1)C(C)C 855362446 SNCHBWSWIOZNMP-VIFPVBQESA-N 267.289 -0.669 50 20 CBGD C=CC(C)(C)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858513288 KSGZLLJTSDMRPE-QMMMGPOBSA-N 268.317 -0.192 50 20 CBGD CC[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C[C@H](C)O1 858695137 DGPYZGNTSYYORV-IVZWLZJFSA-N 298.343 -0.495 50 20 CBGD C[C@H](C(=O)NNC(=O)C1CCC1)[C@@H]1CCC(=O)N1 859329232 ZEHKPKASQGMTHX-CBAPKCEASA-N 253.302 -0.151 50 20 CBGD COc1cccnc1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 860912661 VYZICCIYKQNSQN-SSDOTTSWSA-N 293.283 -0.479 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2nccs2)N1 862458785 JGPIUDMXRQZNAY-RXMQYKEDSA-N 254.271 -0.817 50 20 CBGD CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862461472 POAPAFLWMQLLDL-DTWKUNHWSA-N 284.360 -0.421 50 20 CBGD CC(C)(O)CN1CCC(=NNC(=O)[C@@H]2CCC(=O)N2)CC1 863150747 ZKTZJCNYJMCXKZ-NSHDSACASA-N 296.371 -0.396 50 20 CBGD COC(=O)[C@H]1C[C@H]2CC(=NNC(=O)[C@@H]3CCC(=O)N3)[C@H]1C2 863151048 GJTIQUXHIUDQKU-XKNYDFJKSA-N 293.323 -0.044 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC(F)CC2)N1 883737696 HPXOAXPLXJRLRG-MRVPVSSYSA-N 272.280 -0.560 50 20 CBGD CN1CCO[C@H](C(=O)NNc2ccnc(F)c2)C1=O 907275865 ICCSOOTXIDPJTO-SECBINFHSA-N 268.248 -0.479 50 20 CBGD CC(C)(O)C(=O)NNC(=O)Cc1ccc(F)cn1 907628621 YZTYRMRREUGVKZ-UHFFFAOYSA-N 255.249 -0.319 50 20 CBGD CC(C)(C)C#CC(=O)NNC(=O)CN1CCCC1=O 913733784 VWKQUHJGSOJBMQ-UHFFFAOYSA-N 265.313 -0.194 50 20 CBGD CN1CCN(C(=O)NNC(=O)/C=C/c2cn(C)cn2)CC1 935859726 BJMNUDIRIBGAJT-ONEGZZNKSA-N 292.343 -0.579 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cn(C)nn1 1118275798 ZTXYWIKDKAOGAJ-BQBZGAKWSA-N 253.262 -0.999 50 20 CBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=S)NC(C)(C)C 1123482342 LSZSMRFOKIQUAZ-UWVGGRQHSA-N 299.444 -0.332 50 20 CBGD COCC(=O)NCCC(=O)NNc1nc2ccccn2n1 1255742352 VNWSVCNWKKDANC-UHFFFAOYSA-N 292.299 -0.675 50 20 CBGD CN1CCCC[C@H]1CNC(=O)NNC(=O)c1cnn(C)c1 1263241527 MRCYQGIJMIMFRZ-NSHDSACASA-N 294.359 -0.152 50 20 CBGD NC(=O)Cn1cc(C(=O)NNc2c(F)cccc2F)nn1 1322145155 RPANJYLMSFMBDF-UHFFFAOYSA-N 296.237 -0.202 50 20 CBGD O=C(/C=C/c1ccc[nH]1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1323010486 CXRBNALZDZACRP-NWALNABHSA-N 297.336 -0.390 50 20 CBGD C#C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)[C@@H]1CCCO1 1329240196 QRKLJEHXTUTZDH-WYUUTHIRSA-N 295.339 -0.077 50 20 CBGD C[C@H](CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1cnn(C)c1 1329530655 OPTQJFXIWHYLLO-SCZZXKLOSA-N 293.327 -0.660 50 20 CBGD C[C@@H]1OCCN(C(=O)NNC(=O)c2cn[nH]c2)[C@H]1C 1334930153 JGDJXQAOOJTZTM-YUMQZZPRSA-N 267.289 -0.127 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cn(C)cn1 1341306791 BUCDTBALFKDLQY-SCZZXKLOSA-N 281.316 -0.325 50 20 CBGD Cc1nn(C)c(C)c1C(=O)C(=O)NN(C)[C@@H](C)CO 1352230721 RFXATROBYVVFQP-ZETCQYMHSA-N 268.317 -0.437 50 20 CBGD CCN(CC)c1ccnc(NNC(=O)COCC(=O)O)n1 1573879617 LPPQBIIBPFVLAE-UHFFFAOYSA-N 297.315 -0.133 50 20 CBGD COCCNCC(=O)NNC(=O)COc1ccccc1O 1579045319 QPOHYGCDLNFHPB-UHFFFAOYSA-N 297.311 -0.846 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C(=O)O)C(C)C 1589424979 LBHGPVTXYHCNRH-VXNVDRBHSA-N 288.300 -0.168 50 20 CBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=O)Cc1ccsc1 1593927268 VVGLKCJCKZISGQ-LLVKDONJSA-N 286.309 -0.072 50 20 CBGD O=C(NNC(=O)[C@@]1(C(=O)O)CCCO1)c1ccncc1 1594782634 CTPRRUOHZLJQBM-GFCCVEGCSA-N 279.252 -0.524 50 20 CBGD C[C@H](O)CN(C)NC(=O)c1cc(C(=O)O)nn1C 1603268874 OSPLUMGHVJYHQX-LURJTMIESA-N 256.262 -0.924 50 20 CBGD C[C@](CCF)(NC(=O)c1ccc(B(O)O)cc1)C(=O)O 1604139507 MROVJZBIDCAQHS-GFCCVEGCSA-N 283.064 -0.701 50 20 CBGD O=C(O)CNC(=O)NN=Cc1cnc2ncccn12 1608754597 QYCIAYBAGAVPCL-UHFFFAOYSA-N 262.229 -0.553 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(C(=O)O)n1C 1609878757 LFMQLQPGZFBVIK-HTQZYQBOSA-N 295.295 -0.091 50 20 CBGD COC(=O)[C@H](NNC(=O)C(=O)O)c1ccccc1 1610157608 PACAZKLDIAHKPG-MRVPVSSYSA-N 252.226 -0.394 50 20 CBGD Cn1cc(C(=O)NN=Cc2cc(C(=O)O)co2)nn1 1776092507 PUCGURFZUDIVOM-UHFFFAOYSA-N 263.213 -0.130 50 20 CBGD Cc1ccccc1CC(=O)NNC(=O)C(=O)NC1CC1 8401279 ICALHDLETNUBLG-UHFFFAOYSA-N 275.308 -0.036 50 20 CBGD O=C(NCc1cccs1)NNC(=O)C(=O)NC1CC1 48644873 ABAWYLDWPKUEGQ-UHFFFAOYSA-N 282.325 -0.143 50 20 CBGD CN1N=C(C(=O)NNC(=O)NCC2CC2)CCC1=O 49166706 CWUWDYGNTITKCX-UHFFFAOYSA-N 267.289 -0.665 50 20 CBGD CC(=O)N[C@@H](C(=O)NNC(=O)c1c[nH]nc1C)C(C)C 109859033 USJYJPCRVFRLJM-SNVBAGLBSA-N 281.316 -0.360 50 20 CBGD CN(C)C(=O)CN(C)S(=O)(=O)CBr 126647100 YKYLMDSRLZQYBC-UHFFFAOYSA-N 273.152 -0.311 50 20 CBGD CC[C@@H]1CC[C@H](C(=O)NNc2ccc(C(N)=O)nn2)O1 268101698 BFYQDHXAWGBDQG-VXNVDRBHSA-N 279.300 -0.024 50 20 CBGD Cc1ccc(C(=O)NNC(=O)[C@H]2NC(=O)O[C@@H]2C)o1 496889189 AUYZSPYSXLOWJF-SVRRBLITSA-N 267.241 -0.154 50 20 CBGD CC(C)[C@@H](NC(=O)c1cccc(B(O)O)c1)C(=O)N(C)C 584929463 MPGJQWPSIZYHID-GFCCVEGCSA-N 292.144 -0.791 50 20 CBGD C[C@@H](CO)CCCNC(=O)c1cccc(B(O)O)c1 584968607 ZIIZHTXPZQYSAH-SNVBAGLBSA-N 265.118 -0.495 50 20 CBGD C[C@H]1C[C@H](CO)CN(C(=O)c2cc(B(O)O)ccc2F)C1 584999272 FAESFIOJUMSIJU-UWVGGRQHSA-N 295.119 -0.404 50 20 CBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H](c2nc[nH]n2)C1 585001508 XBYCAJUZSSFSTJ-SNVBAGLBSA-N 286.100 -0.886 50 20 CBGD CC[C@H](C)N(C)CCNCc1ccc(B(O)O)o1 585020461 XYONPIKQZAYOOR-JTQLQIEISA-N 254.139 -0.221 50 20 CBGD CCCCn1nnnc1CNCc1cccc(B(O)O)c1 585027991 FTJIGAHJSSDDOM-UHFFFAOYSA-N 289.148 -0.557 50 20 CBGD CC[C@H](C)NC(=O)[C@H](C)NCc1ccccc1B(O)O 585032148 BXHUDYVSQLAYRJ-QWRGUYRKSA-N 278.161 -0.241 50 20 CBGD CS(=O)(=O)C1(CNCc2ccccc2B(O)O)CCC1 585039007 MBOLSSQYKMLIEM-UHFFFAOYSA-N 297.185 -0.577 50 20 CBGD CO[C@H](CS(=O)(=O)N1CC[C@H](B(O)O)C1)C(C)C 585055645 CKIXVICNTPFPEG-VHSXEESVSA-N 279.167 -0.464 50 20 CBGD CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NCB(O)O)C(=O)C2 585056005 MVISZZKNIWNCBG-GZMMTYOYSA-N 289.162 -0.687 50 20 CBGD O=S(=O)(CBr)N1CC[C@H](B(O)O)C1 585056425 OAAMZJZKDLVNEX-YFKPBYRVSA-N 271.929 -0.783 50 20 CBGD O=C(NCB(O)O)[C@H]1CSCN1C(=O)C1CCCC1 585059497 PPDFTUNFRYQQAY-SECBINFHSA-N 286.162 -0.794 50 20 CBGD O=C(NCB(O)O)[C@@H]1CCCN1Cc1ccc(F)cc1 585060163 BIKRKGBBSBFWCD-LBPRGKRZSA-N 280.108 -0.082 50 20 CBGD O=C(O)COc1cccc(C(=O)N2CC[C@@H](B(O)O)C2)c1 585064970 AGBRPYAPJUUVSK-SNVBAGLBSA-N 293.084 -0.161 50 20 CBGD O=C1C[C@H](C(=O)N2CC[C@H](B(O)O)C2)[C@H]2CCCC[C@H]2N1 585073661 MNQVNBMNCHDDLX-WHOHXGKFSA-N 294.160 -0.243 50 20 CBGD Cn1cc(/C=C\C(=O)NNC(=O)Cc2cc[nH]n2)cn1 730090597 KVPMOGICTFARAL-IHWYPQMZSA-N 274.284 -0.454 50 20 CBGD O=C(NN=Cc1cccc(O)c1O)[C@H]1CCS(=O)(=O)C1 730575753 HGTWKTZWUNQQDQ-VIFPVBQESA-N 298.320 -0.017 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](C(=O)NC)C1 732206765 BCGIHKGUXMUXRC-NXEZZACHSA-N 284.360 -0.610 50 20 CBGD CCOCC(=O)NNC(=O)N[C@H]1CCN(C(C)C)C1=O 734219656 WWCMLMTWAIQPID-VIFPVBQESA-N 286.332 -0.637 50 20 CBGD O=C(NNS(=O)(=O)c1cnc[nH]1)NC1CCCC1 736537150 KQYKBNCLLNHHGC-UHFFFAOYSA-N 273.318 -0.155 50 20 CBGD C=CCCOCC(=O)NNC(=O)N1CCOCC1 745995757 AFGXHDAKNAERRS-UHFFFAOYSA-N 257.290 -0.348 50 20 CBGD CS(=O)(=O)C1(C(=O)NNC(=O)C2CC2)CCCC1 749838482 PEULGEFPVPXZQI-UHFFFAOYSA-N 274.342 -0.099 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCCC#N 753262018 JSVWLTAKFMUOKR-VIFPVBQESA-N 272.305 -0.328 50 20 CBGD C[C@H](CNC(=O)NNC(=O)C(C)(C)C)S(C)(=O)=O 754103721 DNVKZSOWZOHFRR-SSDOTTSWSA-N 279.362 -0.204 50 20 CBGD N#CCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 763234515 WAIWUVOSZOXLHH-SNVBAGLBSA-N 261.237 -0.113 50 20 CBGD Cc1cccc(C(=O)NNC(=O)C2(C(N)=O)CC2)n1 794081714 QCRQORSZZUVOAM-UHFFFAOYSA-N 262.269 -0.583 50 20 CBGD N#CCNC(=O)CNC(=O)NNC(=O)C1CCCC1 805351102 DTHNNHSJTSCSJF-UHFFFAOYSA-N 267.289 -0.853 50 20 CBGD O=C(Cc1ccccc1F)NN=C1C(=O)NC(=O)NC1=O 814221794 NABCVEKDKDOTPM-UHFFFAOYSA-N 292.226 -0.794 50 20 CBGD CN1CCCC[C@H](C(=O)NNC(=O)c2cnn(C)c2)C1=O 820082790 KISRCURQPAORLD-SNVBAGLBSA-N 293.327 -0.560 50 20 CBGD CCN(CCO)NC(=O)Cn1nnc2c1CCCC2 823889064 HEOYPKKPTZOUFV-UHFFFAOYSA-N 267.333 -0.498 50 20 CBGD COC(=O)[C@H]1C[C@@H](NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1 827172608 VOYZHRSBEZSUCT-QEYWKRMJSA-N 299.327 -0.307 50 20 CBGD CC(C)(C)OC(=O)N1CC(=NNC(=O)NCC(=O)O)C1 833432591 MUYYJFPJFYRETF-UHFFFAOYSA-N 286.288 -0.023 50 20 CBGD C[C@@H](C(=O)NNC(=O)C(C)(C)O)C(=O)OC(C)(C)C 840435277 YLHZCMAXBIRUFN-ZETCQYMHSA-N 274.317 -0.118 50 20 CBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843658439 VIJXPDMJNWSVDZ-HLTSFMKQSA-N 271.317 -0.527 50 20 CBGD O=C(NNS(=O)(=O)N1CCCOCC1)C1CCC1 844653528 JOQLJYVYMHCVIM-UHFFFAOYSA-N 277.346 -0.626 50 20 CBGD NS(=O)(=O)C1(C(=O)NNc2cccnc2Cl)CC1 846256773 MXSZDADUODKEBQ-UHFFFAOYSA-N 290.732 -0.001 50 20 CBGD COc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)o1 847410973 VOSYZELLZLBTHS-UHFFFAOYSA-N 281.268 -0.328 50 20 CBGD O=C(NNC(=O)c1c(F)ccnc1F)C(=O)N1CCCC1 847411288 GDWATMSRYMZVPW-UHFFFAOYSA-N 298.249 -0.257 50 20 CBGD CC(C)(C)n1nnc(C=NNC(=O)C(=O)NC2CC2)n1 853282702 NUMBAQJTRZGITC-UHFFFAOYSA-N 279.304 -0.843 50 20 CBGD CCn1nc(C)c(C(=O)NNC(=O)N2CCN(C)CC2)n1 854383260 ZUBDWNTWYYEBGI-UHFFFAOYSA-N 295.347 -0.792 50 20 CBGD C[C@H](NC(=S)NNC(=O)c1cnn(C)n1)C1CC1 855097598 ULZHPCJQNSGBQX-LURJTMIESA-N 268.346 -0.278 50 20 CBGD CN(C)CCCNC(=O)NNC(=O)N=c1cc[nH]cc1 858102369 AERATPOFWMSPSW-UHFFFAOYSA-N 280.332 -0.209 50 20 CBGD C=CC(=O)N(C)CC(=O)NNC(=O)c1cc(C)[nH]n1 860480176 FDXZUDNLTGYLOH-UHFFFAOYSA-N 265.273 -0.876 50 20 CBGD Cc1cc(=NNC(=O)CCN2CCOCC2)cc[nH]1 862511710 YOGIITIQJCEZGS-UHFFFAOYSA-N 264.329 -0.023 50 20 CBGD CCN(C)C(=O)CNC(=O)NN=c1cc[nH]c(C)c1 875508525 GHBPIFGIIOSXGC-UHFFFAOYSA-N 265.317 -0.084 50 20 CBGD COC(=O)C12CC(C(=O)NNC(=O)C3CCOCC3)(C1)C2 883071604 HHRHFYJYXISUHA-UHFFFAOYSA-N 296.323 -0.096 50 20 CBGD C[C@@]1(C(=O)NC(CO)CO)C[C@H]1Br 907181733 IVORQZUBQIVNES-HTRCEHHLSA-N 252.108 -0.371 50 20 CBGD CCS(=O)(=O)NCCNC(=O)NNC(=O)CC(C)C 916516105 DRTISPOTEXMCLG-UHFFFAOYSA-N 294.377 -0.698 50 20 CBGD O=C(CN1CCCNC1=O)NNC(=O)CC(F)(F)F 918365936 GMAUAQSJHWATMC-UHFFFAOYSA-N 282.222 -0.499 50 20 CBGD COCn1ccc(C(=O)NNC(=O)NCC2CC2)n1 1118636060 JIIDJNJFAJNVCI-UHFFFAOYSA-N 267.289 -0.159 50 20 CBGD CCC(=O)N1CC[C@@H](C(=O)NNc2cnnn2C)C1 1118771096 ZWLIHXMYMWIFGR-MRVPVSSYSA-N 266.305 -0.483 50 20 CBGD Cc1ccoc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1118971129 TXGREYCLWJTXSW-SSDOTTSWSA-N 251.242 -0.372 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)CC[C@@H]1CCCO1 1261835339 RLPZXDKYIFKWBM-QMMMGPOBSA-N 278.330 -0.862 50 20 CBGD COCC(=O)NCCC(=O)NNc1cccc(OC)n1 1320792880 IJIKOIKKXGFPBX-UHFFFAOYSA-N 282.300 -0.314 50 20 CBGD CCO/C=C(\C#N)C(=O)NCCn1cnc(C#N)n1 1322750674 PPDMUCKDHVHPPG-VQHVLOKHSA-N 260.257 -0.290 50 20 CBGD CCC(=O)NNS(=O)(=O)c1cnn([C@H]2CCOC2)c1 1322897625 DIULXRLMODYDEV-QMMMGPOBSA-N 288.329 -0.436 50 20 CBGD Cn1cncc1C(=O)NNC(=O)NCC(F)(F)F 1324101038 GSBFGPAQNGXROP-UHFFFAOYSA-N 265.195 -0.074 50 20 CBGD C[C@H](N)C[C@H](C)NC(=O)NNC(=O)C1CCNCC1 1326811028 RJVWERLRJDTJFY-IUCAKERBSA-N 271.365 -0.558 50 20 CBGD O=C(CCc1cscn1)NNC(=O)[C@H]1CCC(=O)N1 1329171906 HOTLUJADFDTOJD-MRVPVSSYSA-N 282.325 -0.498 50 20 CBGD Cc1coc(C)c1C(=O)NNC(=O)CS(C)(=O)=O 1329589334 OLHKLKAAXQEEKB-UHFFFAOYSA-N 274.298 -0.298 50 20 CBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCN1C 1331518395 CQVVJVGPSKFHIK-OPRDCNLKSA-N 297.359 -0.922 50 20 CBGD CC(C)NC(=O)CCCC(=O)NNc1nccn(C)c1=O 1339890502 HUPWZFVAVKYPQO-UHFFFAOYSA-N 295.343 -0.082 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 1351591010 GZCKJYXNRHNQGF-BQBZGAKWSA-N 258.347 -0.632 50 20 CBGD CCOC1CC2(C1)C[C@@H]2NC(=O)NNC(=O)C(=O)O 1596851054 UDFIWTZCYYJIOO-KKOGVWMFSA-N 271.273 -0.641 50 20 CBGD COC(=O)N(C)NC(=O)COCc1ocnc1C(=O)O 1598875703 JYHUOMVGRFLWLF-UHFFFAOYSA-N 287.228 -0.381 50 20 CBGD O=C(O)Cc1cccc(C(=O)NNC(=O)c2ncon2)c1 1602134955 LMWSKMJLSSZVBN-UHFFFAOYSA-N 290.235 -0.229 50 20 CBGD C[C@@H](C(=O)O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 1602803872 AYPZCKJWTINKBN-SSDOTTSWSA-N 294.263 -0.061 50 20 CBGD C[C@@H](C(=O)O)C(=O)NNC(=O)CNc1ccccc1 1609700954 JCSQUFIITHTDIQ-MRVPVSSYSA-N 265.269 -0.033 50 20 CBGD CC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847445912 DESGOYNPVIAGIL-VGMNWLOBSA-N 290.747 -0.484 50 20 CBGD COCCCNC(=O)NNC(=O)[C@@H](C(C)C)N(C)C 110664419 YJYHBLBFHINHHG-SNVBAGLBSA-N 274.365 -0.061 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CN1CCCCC1=O 110759385 GBFOVMBVDORQES-UHFFFAOYSA-N 279.300 -0.508 50 20 CBGD CN(C)[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 112981824 UXYHNWXTFCDPEE-LLVKDONJSA-N 268.361 -0.430 50 20 CBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)Cc1cccnc1 268253404 ZVQMLLDNUDKULN-SECBINFHSA-N 279.296 -0.029 50 20 CBGD CCN(CC(=O)NNC(=O)C(=O)NC(C)C)C1CC1 269656348 DKYPPQZENXOFDD-UHFFFAOYSA-N 270.333 -0.857 50 20 CBGD O=C(CNC(=O)NCc1ccco1)NNC(=O)C1CC1 299227822 OKXDCIFKSCIHRN-UHFFFAOYSA-N 280.284 -0.364 50 20 CBGD COC(=O)NNC(=O)CCn1cc([N+](=O)[O-])nc1C 495326975 UQRLAXWVOUTFPH-UHFFFAOYSA-N 271.233 -0.123 50 20 CBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCCc2nn[nH]c21 584910329 AMIUFARDSMYRBI-SNVBAGLBSA-N 286.100 -0.457 50 20 CBGD C[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1CO 584970027 KUAHKKHUERADJA-GXFFZTMASA-N 277.129 -0.401 50 20 CBGD CC(C)[C@](C)(NC(=O)c1cc(B(O)O)ccc1F)C(N)=O 584988768 UBLMQQGVJUXCDO-ZDUSSCGKSA-N 296.107 -0.865 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@@H](C)[C@@H]1O 585008949 ZDXGSRQOOROKAU-WOFXILAISA-N 295.119 -0.406 50 20 CBGD CN1CCC[C@H](CNCc2ccc(B(O)O)o2)C1 585024493 WYPOIRBLEMTSJI-SNVBAGLBSA-N 252.123 -0.609 50 20 CBGD OB(O)c1ccc(CNCCc2cscn2)o1 585028251 ICPVADWWMUOHLF-UHFFFAOYSA-N 252.104 -0.252 50 20 CBGD OB(O)c1ccc(CN[C@H]2C[C@H]3CC[C@H]2O3)c(F)c1 585028705 OQKJWZFZVUCVMX-KGYLQXTDSA-N 265.093 -0.085 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)cc1)c1ncnn1C 585037818 KVRLTSHPSNLAMM-SECBINFHSA-N 260.106 -0.654 50 20 CBGD CC1CCC(N2C[C@@H](C(=O)NCB(O)O)CC2=O)CC1 585060823 ZMAMYHVBKZWBOW-YVNMAJEFSA-N 282.149 -0.458 50 20 CBGD O=S(=O)(CCCCl)N1C[C@@H](CO)[C@@H](CO)C1 705322369 HANYNGXJONFQMX-DTORHVGOSA-N 271.766 -0.522 50 20 CBGD CCOCCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 728179762 JYHNXMZVVQLIJH-SNVBAGLBSA-N 278.374 -0.095 50 20 CBGD Cn1cnc(S(=O)(=O)NNC(=O)NC2CCCC2)c1 751273047 VQCGJJXBSMYBGC-UHFFFAOYSA-N 287.345 -0.145 50 20 CBGD Cc1cccnc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 752237631 AEPGYNZHDJCKDA-QMMMGPOBSA-N 262.269 -0.570 50 20 CBGD Cc1nnc(NNC(=O)CN(C)[C@H]2CCSC2)nc1O 763524720 LNRUQUPBYXTDFQ-QMMMGPOBSA-N 298.372 -0.234 50 20 CBGD CCNC(=O)NNC(=O)CNC(=O)c1ccc(F)cc1 764004266 ASPBDKPOVCEYDL-UHFFFAOYSA-N 282.275 -0.094 50 20 CBGD O=C(CO)NNC(=O)C(=O)Nc1cccc(OCCF)c1 764420410 AKHRVIUBUPWUFX-UHFFFAOYSA-N 299.258 -0.887 50 20 CBGD COc1ncc(NC(=O)NNC(C)=O)cc1C(N)=O 765224916 UMPLRLBDPQAAAS-UHFFFAOYSA-N 267.245 -0.638 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1c(C)cccc1OC 773549922 MNDPOZDLIJVJSM-UHFFFAOYSA-N 295.295 -0.264 50 20 CBGD Cn1ncc(Cl)c1C=NNC(=O)C(=O)NC1CC1 780199384 NEDKCPPEYARNNP-UHFFFAOYSA-N 269.692 -0.198 50 20 CBGD O=C1CC[C@H](C(=O)NNc2nc3ccccn3n2)CN1 791259899 GEWJMOSXIHKCCF-QMMMGPOBSA-N 274.284 -0.301 50 20 CBGD Cn1nncc1NC(=O)NNC(=O)c1ccncc1 809900820 FBTMIOLBEQHYAQ-UHFFFAOYSA-N 261.245 -0.323 50 20 CBGD O=C(NNC(=O)C1CCCC1)C1=NN2CCCN=C2N1 821754408 CEGVZTVWQLXKCS-UHFFFAOYSA-N 278.316 -0.698 50 20 CBGD Cc1cc(CC(=O)NNC(=O)CN2CCCC2)n[nH]1 823824941 SGMVXEUMBODKIK-UHFFFAOYSA-N 265.317 -0.496 50 20 CBGD CCN(CCO)NC(=O)COCc1ccccn1 823884911 OKALDKBWXGPQLQ-UHFFFAOYSA-N 253.302 -0.056 50 20 CBGD CCN(CCO)NC(=O)[C@@H](NC(C)=O)C(C)(C)C 823889470 XTANBRLZBPINKD-SNVBAGLBSA-N 259.350 -0.117 50 20 CBGD C[C@H](CO)N(C)NC(=O)C1(n2cnnn2)CCCCC1 823912174 BFDBEMLQXKMWEK-SNVBAGLBSA-N 282.348 -0.324 50 20 CBGD CCCNC(=O)NNC(=O)c1cnc(C)nc1N 823950113 CVRQKIVPKAVYCQ-UHFFFAOYSA-N 252.278 -0.279 50 20 CBGD COCCN1CC[C@H](NS(=O)(=O)CCl)C1 831191772 XUMLYPHESYEUEG-QMMMGPOBSA-N 256.755 -0.177 50 20 CBGD COCC(=O)NNC(=O)Nc1ccc2c(c1)nnn2C 831965735 DHOAUXLYUCCHCZ-UHFFFAOYSA-N 278.272 -0.233 50 20 CBGD Cc1nonc1CC(=O)NNC(=O)[C@H]1CCO[C@H]1C 846276855 YFTHOTVZEZRYFY-YUMQZZPRSA-N 268.273 -0.507 50 20 CBGD O=C(CN(C1CC1)C1(CO)CCC1)NNC(=O)C1CC1 852159150 PRBYUMPOLQORKJ-UHFFFAOYSA-N 281.356 -0.077 50 20 CBGD CCS(=O)(=O)CC(=O)NNC(=S)N[C@H](C)C1CC1 855103005 PMGBFIQJLVPIOW-SSDOTTSWSA-N 293.414 -0.285 50 20 CBGD O=C(NNC(=O)[C@@]1(O)CCSC1)c1cc[nH]n1 855357165 CDCTVDJCDVRKJN-SECBINFHSA-N 256.287 -0.961 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC=CCC2)N1 858697156 QXNPZNFEOOKWJP-MRVPVSSYSA-N 252.274 -0.732 50 20 CBGD Cc1nc(O)ccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862457827 RJPDJSVPQJMKPQ-QMMMGPOBSA-N 278.268 -0.865 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCC=CO2)N1 862460987 KGEFWJXWQVIOEP-YUMQZZPRSA-N 253.258 -0.895 50 20 CBGD C[C@@]1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1(F)F 862462885 ZYZPSSPKUHGOFH-ANLVUFKYSA-N 261.228 -0.542 50 20 CBGD CC[C@@]1(C(=O)NNC(=O)NCC2CC2)CCNC1=O 865015659 FXUQUAKLFKOADM-GFCCVEGCSA-N 268.317 -0.357 50 20 CBGD Cn1cc(C[C@@H](CO)NS(=O)(=O)CCl)cn1 867418033 BSTZRAFOQVORLU-QMMMGPOBSA-N 267.738 -0.561 50 20 CBGD Cc1ccc(NNC(=O)NC[C@H]2COCO2)nn1 923858097 ZPVLRJUUBUGQIX-QMMMGPOBSA-N 253.262 -0.216 50 20 CBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCCN(CC(F)F)C1 1119022842 GVCPKLAKQMLLKS-QMMMGPOBSA-N 293.314 -0.118 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=S)Nc2ccccn2)CN1 1119117062 ZMMKZIRUJMVZHI-MRVPVSSYSA-N 293.352 -0.075 50 20 CBGD Cn1nncc1C(=O)NNc1nc2ccccc2c(=O)n1C 1256523018 KEBCKGPFBPKEDO-UHFFFAOYSA-N 299.294 -0.181 50 20 CBGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)c1ccncc1 1261231668 JJLAJKPMEMOSRW-JTQLQIEISA-N 286.295 -0.303 50 20 CBGD COc1cc(C(=O)N2CC[C@H](B(O)O)C2)nn1C 1262157089 PMKFRXYRDVIJET-ZETCQYMHSA-N 253.067 -0.882 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCn2cnnc2C1 1319324603 BZEGLPNNOOWFIB-UHFFFAOYSA-N 280.332 -0.713 50 20 CBGD NC(=O)c1cc(C(=O)NNC(=O)Cc2ccncc2)co1 1320455082 SBHATZRIFWWUNS-UHFFFAOYSA-N 288.263 -0.223 50 20 CBGD COc1cc(C(=O)NNC(C)=O)sc1S(N)(=O)=O 1324352669 RCRYBOUSAJGCDT-UHFFFAOYSA-N 293.326 -0.815 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1cncn1C 1326348383 OIZOBAHHZKPRLI-ONGXEEELSA-N 280.328 -0.075 50 20 CBGD O=C(NNc1ncnc2[nH]cnc12)[C@@H]1CCCS1(=O)=O 1327662581 OEGROKIJJMUKLK-LURJTMIESA-N 296.312 -0.627 50 20 CBGD C[C@H]1C[C@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C[C@@H](C)O1 1329174799 ZYPSNMUYMUDWIE-UTINFBMNSA-N 298.343 -0.449 50 20 CBGD CC(C)NC(=O)CNC(=O)NNC(=O)c1cccc(F)n1 1329876544 MXGMADWQYAYNJK-UHFFFAOYSA-N 297.290 -0.311 50 20 CBGD O=C1C[C@@H](C(=O)NNC(=O)OCC(F)(F)F)CCN1 1330966706 QBNPNJYOAFROQA-YFKPBYRVSA-N 283.206 -0.168 50 20 CBGD O=C(c1cnn2cccnc12)N1CC[C@@H](B(O)O)C1 1331825965 FXIDAPZOZDYYQG-MRVPVSSYSA-N 260.062 -0.582 50 20 CBGD COc1cc(C(=O)NNC(=O)C(N)=O)ccc1OC(C)C 1335963343 VBHHHHNRKSWWHH-UHFFFAOYSA-N 295.295 -0.271 50 20 CBGD COCCCNC(=S)N(C)NC(=O)c1cnnn1C 1347295228 BXHVJNUKDCBHRI-UHFFFAOYSA-N 286.361 -0.697 50 20 CBGD COC(=O)c1ccc(/C=C/C(=O)NNC(=O)CCCN)o1 1578865728 QEGGSUBASCSPBU-FNORWQNLSA-N 295.295 -0.034 50 20 CBGD COc1nsc(OC)c1C(=O)NNC(=O)[C@H]1CCN1 1579329827 PAUVAOXOSKBSOU-RXMQYKEDSA-N 286.313 -0.717 50 20 CBGD O=C(O)Cn1cccc1C=NNC(=O)CN1CCCC1=O 1602166364 PMUUROCMZZQITD-UHFFFAOYSA-N 292.295 -0.355 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CC[C@H]1C(=O)O 1605709164 PMSZGYYOEOLLFG-HTQZYQBOSA-N 266.257 -0.790 50 20 CBGD O=S1(=O)C[C@@H](I)[C@H](O)C1 82879969 LQNJBIPXTGBGQQ-QWWZWVQMSA-N 262.068 -0.421 50 20 CBGD C[C@@H](NC(=O)NNC(=O)C1CCC1)C(=O)N(C)C 264759695 SXTNPRGKMKIYPX-SSDOTTSWSA-N 256.306 -0.406 50 20 CBGD C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)c1cnn(C)c1 281829808 IDQGMLNWZQPKOR-QXFUBDJGSA-N 266.301 -0.005 50 20 CBGD C[C@@]1(NCC(=O)NNC(=O)c2ccccc2)CCOC1=O 289595884 QBLUCPFZXLGIHF-CQSZACIVSA-N 291.307 -0.257 50 20 CBGD C[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)[C@H](C)CO1 584927371 GQFQRAKQZOKJRY-RKDXNWHRSA-N 281.092 -0.245 50 20 CBGD COCCN(C(=O)c1cccc(B(O)O)c1)[C@H](C)COC 584946248 PYRNNJCEEPDELO-LLVKDONJSA-N 295.144 -0.510 50 20 CBGD Cc1cncn1CCCNC(=O)c1cccc(B(O)O)c1 584965504 SBRNJKGPRQVGIN-UHFFFAOYSA-N 287.128 -0.309 50 20 CBGD C[C@H](O)C[C@H]1CCCN1C(=O)c1ccc(B(O)O)c(F)c1 584965899 UHNARSQDDICITN-GXSJLCMTSA-N 295.119 -0.119 50 20 CBGD CC[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@H]1O 584967294 IOTHKXPVAWGPRZ-QPUJVOFHSA-N 281.092 -0.652 50 20 CBGD CC[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@@H]1O 584968215 USQJSVJZDNFIIV-UFBFGSQYSA-N 281.092 -0.652 50 20 CBGD CO[C@H]1CCC[C@@H]1CNC(=O)c1cccc(B(O)O)c1 584971339 PQSMEZGRUFSFAH-YPMHNXCESA-N 277.129 -0.089 50 20 CBGD C[C@@H](NCc1ccc(B(O)O)o1)C(=O)N1CCCCC1 585038872 JIWSIECUZXNWIT-SNVBAGLBSA-N 280.133 -0.550 50 20 CBGD OC[C@@H](CNCc1cccc(B(O)O)c1)[C@@H]1CCOC1 585039282 PVIALUJPASWYMU-CHWSQXEVSA-N 279.145 -0.899 50 20 CBGD O=S(=O)(c1ccc(F)nc1F)N1CC[C@@H](B(O)O)C1 585057147 NLJQVOMXVZZKFT-ZCFIWIBFSA-N 292.072 -0.403 50 20 CBGD CC[C@H](C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729275039 JUAAGAFKZIMPRM-NKWVEPMBSA-N 265.335 -0.882 50 20 CBGD COCCCNC(=O)NNC(=O)[C@H](C)OCCOC 733953862 QJWFUUQSYFVUMF-VIFPVBQESA-N 277.321 -0.595 50 20 CBGD CN1CCN(CC(=O)NNc2nccnc2Cl)CC1 734260806 PPMSIHFMRMJRLV-UHFFFAOYSA-N 284.751 -0.180 50 20 CBGD CC[C@@H](C(=O)NNC(=O)c1c[nH]nc1C)N1CCCC1=O 743339929 UJOPACPYTJIJHJ-JTQLQIEISA-N 293.327 -0.120 50 20 CBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H]1CCSC1 748637166 XHXWCMYWKMHAGA-DTWKUNHWSA-N 291.373 -0.126 50 20 CBGD CC(C)C(=O)NNC(=O)NCC(C)(C)S(C)(=O)=O 748964980 DRFJOQFURBMYJK-UHFFFAOYSA-N 279.362 -0.204 50 20 CBGD O=C(CO)NNC(=O)c1c[nH]nc1-c1cccnc1 753440225 YMVMSNFERDXZIX-UHFFFAOYSA-N 261.241 -0.775 50 20 CBGD CCOCC(=O)NN[C@@H](Cc1ccccc1)C(N)=O 758148738 RCSOXFQKFKUAFB-NSHDSACASA-N 265.313 -0.260 50 20 CBGD CSCCNC(=S)NNC(=O)[C@@H]1CCNC(=O)C1 770245271 DSQBEQIVGPPZRB-SSDOTTSWSA-N 290.414 -0.629 50 20 CBGD CCNC(=O)NNC(=O)[C@H]1CCCCS1(=O)=O 772401240 ACMJHXXPCMGHOG-SSDOTTSWSA-N 263.319 -0.696 50 20 CBGD CO[C@H](C)CCC(=O)NNC(=O)N1CCN(C)CC1 788166400 MABWLOJUTVNYST-SNVBAGLBSA-N 272.349 -0.210 50 20 CBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=O)c1cccn1C 788631552 ZEDQOESDXVUDQD-POYBYMJQSA-N 266.257 -0.717 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)Nc1cnnn1C 809909674 HTCZCCKJVCIPBZ-UHFFFAOYSA-N 264.249 -0.687 50 20 CBGD C[C@H](CC(=O)NNC(=O)Cc1cc[nH]n1)n1cccn1 819252522 IPEZEEXZRISNAM-SECBINFHSA-N 276.300 -0.053 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cnnn1C 831773895 BXMIYVPHBKEXAO-RNFRBKRXSA-N 268.277 -0.607 50 20 CBGD O=C(NN[C@@H](C(=O)O)c1ccccc1)[C@@H]1COCCO1 833149403 PKKUYYMGDHZPEB-WDEREUQCSA-N 280.280 -0.152 50 20 CBGD C=CCn1cc(C(=O)NNC(=O)N2CCOCC2)nn1 843778215 CFWAWOJTNXVUOQ-UHFFFAOYSA-N 280.288 -0.849 50 20 CBGD Cc1cc(=O)c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cn1C 843970726 KGZIZMJTCMAHNO-VHSXEESVSA-N 293.323 -0.120 50 20 CBGD C[C@H](CC(=O)NNC(=O)N1CCOCC1)n1ccnc1 845335142 ASQRMXFJXZGURG-SNVBAGLBSA-N 281.316 -0.093 50 20 CBGD CNC[C@@H](C)NC(=O)NNc1nc2ccccn2n1 851680418 IJTYPGRKUCPGTL-MRVPVSSYSA-N 263.305 -0.037 50 20 CBGD CN1CCN(C(=O)NNC(=O)/C=C/C2CCOCC2)CC1 854378978 KAHWKIGAJMKUIM-NSCUHMNNSA-N 296.371 -0.043 50 20 CBGD CS(=O)(=O)CCNC(=O)NNc1ncc(Cl)cn1 856833652 RUQCPQBVASRVQD-UHFFFAOYSA-N 293.736 -0.199 50 20 CBGD CC1(C)[C@H]2CN(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)C[C@H]21 858697905 VFZOJNVHWKYURN-YIZRAAEISA-N 280.328 -0.406 50 20 CBGD Cc1cc(=NNC(=O)[C@@H]2CCc3nnnn3CC2)cc[nH]1 862515201 MEQYMTYXARPONM-SNVBAGLBSA-N 287.327 -0.106 50 20 CBGD COC1(C(=O)NNC(=O)CS(C)(=O)=O)CCCC1 863465045 QSYTUHSXRVBDBO-UHFFFAOYSA-N 278.330 -0.862 50 20 CBGD CCOC(=O)N1CC[C@H](NCc2cccc(B(O)O)c2)C1 863890697 BVYFMDFPVCEJSP-ZDUSSCGKSA-N 292.144 -0.313 50 20 CBGD O=C(N[C@H]1CCN2CCC[C@H]2C1)c1ccc(B(O)O)cc1 864906631 QVTPAVVHOFVOMD-KBPBESRZSA-N 288.156 -0.277 50 20 CBGD CO[C@H](C(=O)NNC(=O)Cc1cc(C)[nH]n1)C1CC1 869017093 ZFIHKUQNTSESSS-NSHDSACASA-N 266.301 -0.167 50 20 CBGD CN(C)CC(=O)NNC(=O)Nc1cc(CN(C)C)ccn1 880600202 JCRMILRGMPYTCU-UHFFFAOYSA-N 294.359 -0.143 50 20 CBGD O=C(NNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)c1cc[nH]n1 880667201 WLTRJPJHXYNXFV-OYNCUSHFSA-N 264.285 -0.014 50 20 CBGD C#CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C 897687302 SAXDPDDUBRWEGQ-UHFFFAOYSA-N 255.274 -0.318 50 20 CBGD COCCN(C)NC(=O)CCN1C(=O)C(C)=C(C)C1=O 908115613 RBAYGOVEMCFZEG-UHFFFAOYSA-N 283.328 -0.309 50 20 CBGD C[C@H]1COC[C@H]1NC(=O)c1cc(B(O)O)ccc1F 928884310 LOIOXCCOBARMDR-WRWORJQWSA-N 267.065 -0.730 50 20 CBGD CN1CCC[C@@H]1CNC(=O)NNC(=O)c1ncccn1 1118865713 RAVQRIRHXRQKIL-SECBINFHSA-N 278.316 -0.485 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)N[C@H]1CCOC1=O 1263745906 VTYZVSWUBKIWGC-BYPYZUCNSA-N 269.179 -0.415 50 20 CBGD Cn1cccc1C(=O)NNC(=O)CCc1nc[nH]n1 1319022531 QLILAVIMNRHYSW-UHFFFAOYSA-N 262.273 -0.463 50 20 CBGD Cc1nnc2n1C[C@@H](C(=O)NNC(=O)NC(C)C)CC2 1319628287 UFHDIKUQOLPOCX-VIFPVBQESA-N 280.332 -0.112 50 20 CBGD Cn1c(=O)oc2cc(NC(=O)NNC(=O)CCO)ccc21 1320228190 LVDXQRHLNDJTPL-UHFFFAOYSA-N 294.267 -0.333 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1nc[nH]n1 1320961861 NOJMKCIYTRPADF-SSDOTTSWSA-N 254.294 -0.818 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(Cl)n1 1321695951 FJSKPFLATZUIDR-UHFFFAOYSA-N 286.675 -0.533 50 20 CBGD Cc1nnc(NNC(=O)c2cn(C(C)(C)C)nn2)nc1O 1321867769 MPTAFSOMEIXSNV-UHFFFAOYSA-N 292.303 -0.011 50 20 CBGD CC(C)C(=O)NNC(=O)C(=O)Nc1cncc(F)c1 1322602476 RNXAHYMJURLVDV-UHFFFAOYSA-N 268.248 -0.037 50 20 CBGD COC(=O)c1cc(C=NNC(=O)C(=O)NC(C)C)on1 1330311049 STVCPMVACIARQN-UHFFFAOYSA-N 282.256 -0.564 50 20 CBGD CO[C@@]1(C(=O)NCCCSC#N)CCS(=O)(=O)C1 1334487452 FWOOMMLGIDZVGL-JTQLQIEISA-N 292.382 -0.089 50 20 CBGD C=C(CCC(=O)O)C(=O)NNC(=O)c1c[nH]nc1C 1573337706 QEEJWYSGZXDQND-UHFFFAOYSA-N 266.257 -0.100 50 20 CBGD COCC[C@@H](N)C(=O)NNC(=O)NCc1ccco1 1573978828 ZCHNBBQDYSCAOZ-SECBINFHSA-N 270.289 -0.526 50 20 CBGD CC(C)(C)[C@@H](C(=O)O)C(=O)NNC(=O)c1ncccn1 1588635095 YPVQHRDTPAIWQP-SSDOTTSWSA-N 280.284 -0.016 50 20 CBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)C(=O)O)c2nccn21 1594255902 SJCHJVLFXOXLHA-RITPCOANSA-N 267.245 -0.696 50 20 CBGD CN1CCO[C@H](C(=O)NNc2ccccc2C(=O)O)C1=O 1598623553 JPCCXHXPYFXPKG-SNVBAGLBSA-N 293.279 -0.315 50 20 CBGD O=C(O)c1cc(C(=O)N2CC[C@H](B(O)O)C2)ccn1 1602243200 FYOCPXBPEVAQQO-QMMMGPOBSA-N 264.046 -0.531 50 20 CBGD CCS(=O)(=O)CC(=O)NNc1ncccc1C(=O)O 1603886189 ZRDNSABDHWACET-UHFFFAOYSA-N 287.297 -0.342 50 20 CBGD Cn1nncc1NNC(=O)Cc1ccc(C(=O)O)nc1 1608169064 FTVXOMSGJNBZEY-UHFFFAOYSA-N 276.256 -0.406 50 20 CBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccccn1 8389897 PYNXZBLIASRIRV-UHFFFAOYSA-N 250.258 -0.633 50 20 CBGD Cc1noc2ncc(C(=O)NNC(=O)CN(C)C)cc12 113424033 CJGXISRHZXEWNU-UHFFFAOYSA-N 277.284 -0.146 50 20 CBGD C[C@@H]1OCC[C@]1(O)CNS(=O)(=O)CBr 228083387 LEZUGZCKWZLEDU-BQBZGAKWSA-N 288.163 -0.202 50 20 CBGD COC(=O)N1CC(NC(=O)NNc2ccc(C)nn2)C1 269301441 UQDUCDFVFLSXKO-UHFFFAOYSA-N 280.288 -0.138 50 20 CBGD CN(NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)C(N)=O 272124913 AEGNXSRKZPNTAS-UHFFFAOYSA-N 297.315 -0.717 50 20 CBGD CNC(=O)CCCC(=O)NNC(=O)c1cccn1C 275529825 QKOYDPFTAIWELF-UHFFFAOYSA-N 266.301 -0.298 50 20 CBGD CNC(=O)NNC(=O)CN1CCc2ccccc2C1=O 279134796 ZCLHTCQFJYJPLG-UHFFFAOYSA-N 276.296 -0.355 50 20 CBGD CN(C)c1ccc(C(=O)NNC(=O)N2CCOCC2)cn1 299361292 IVNDXKRSCQMHNQ-UHFFFAOYSA-N 293.327 -0.166 50 20 CBGD CN1CCN(C(=O)NNC(=O)[C@@H]2C[C@]23CCOC3)CC1 377208670 ONEBCSWVJAJKHY-GWCFXTLKSA-N 282.344 -0.599 50 20 CBGD N#CC1(NC(=O)c2ccc(B(O)O)c(F)c2)CCOCC1 584946975 CPFNZAVFRMVIKI-UHFFFAOYSA-N 292.075 -0.692 50 20 CBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)CC[S@@]1=O 584948322 BKMYUHZHSXSQIN-FHZGZLOMSA-N 299.132 -0.902 50 20 CBGD O=C(NC[C@@H](O)C(F)(F)F)c1cc(B(O)O)ccc1F 584960437 LHBBMAHGAOVBHJ-MRVPVSSYSA-N 294.997 -0.842 50 20 CBGD CCC[C@H](CNC(=O)c1cccc(B(O)O)c1)OC 584994711 DKEZJMKKIJRSDN-GFCCVEGCSA-N 265.118 -0.089 50 20 CBGD CCC1(CNC(=O)c2cccc(B(O)O)c2)COC1 584997149 WFZZNDQIDWLMEQ-UHFFFAOYSA-N 263.102 -0.477 50 20 CBGD C[C@@H]1CN(C)C[C@H]1NCc1ccc(B(O)O)cc1F 585031423 UQRQGDSRLWZLPD-NOZJJQNGSA-N 266.125 -0.455 50 20 CBGD Cc1cnc(CCNCc2ccc(B(O)O)o2)nc1 585032569 WMKWLVXGOSWQEE-UHFFFAOYSA-N 261.090 -0.610 50 20 CBGD CCc1nc([C@@H](C)NCc2ccccc2B(O)O)n[nH]1 585034450 LDKPJEQXEMIZGP-SECBINFHSA-N 274.133 -0.102 50 20 CBGD COCC1(NCc2ccccc2B(O)O)CCOCC1 585042336 ASUQVDRJLLJQRG-UHFFFAOYSA-N 279.145 -0.348 50 20 CBGD CO[C@H]1COCC[C@@H]1CNCc1ccc(B(O)O)cc1F 585043510 NORARGWNKJXFIP-RISCZKNCSA-N 297.135 -0.353 50 20 CBGD COc1ccc(S(=O)(=O)NCB(O)O)cc1Cl 585054902 TWRVMQADRBHTKM-UHFFFAOYSA-N 279.510 -0.361 50 20 CBGD C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCB(O)O 585056225 RNUNNBOKRYZIOK-OIBJUYFYSA-N 251.047 -0.657 50 20 CBGD O=S(=O)(C[C@H]1CCCO1)N1CC[C@H](B(O)O)C1 585057869 MNJIBNISJYTDGB-DTWKUNHWSA-N 263.124 -0.956 50 20 CBGD CCOCC(=O)NNC(=S)NC1CCOCC1 731160913 IBWCYDIUTXPRDU-UHFFFAOYSA-N 261.347 -0.303 50 20 CBGD COCCN(C)CCNC(=O)NNC(=O)C1CCC1 732245646 CBKCXHGTUTVBOF-UHFFFAOYSA-N 272.349 -0.305 50 20 CBGD C[C@@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)CN(C)C 733359788 RESBBDHEPRPIRG-GHMZBOCLSA-N 287.360 -0.330 50 20 CBGD C[C@H]1CS(=O)(=O)CCN1C(=O)NNC(=O)C(C)(C)C 740052510 RFBKKQIAOFGMIY-QMMMGPOBSA-N 291.373 -0.108 50 20 CBGD COCC(C)(C)C(=O)NNC(=O)C(=O)NC1CC1 755425552 MLMJONFSHYFILF-UHFFFAOYSA-N 257.290 -0.915 50 20 CBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](C)C1CC1 758045017 BACYNIAXHFETJX-BQBZGAKWSA-N 277.346 -0.882 50 20 CBGD CO[C@@H](C)C(C)=NNC(=O)[C@H](C)NS(C)(=O)=O 763172390 LGTIEHMFXIHSDV-YUMQZZPRSA-N 265.335 -0.549 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N(CC)CC(=O)NC 764201889 BXIFXKGYJULPBV-QMMMGPOBSA-N 258.322 -1.000 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(C#N)c1 764318833 YYTGUUPRXNKUOC-UHFFFAOYSA-N 290.279 -0.319 50 20 CBGD COc1nccnc1NNC(=O)CSCC(N)=O 764470012 CSJWDHGIQXFOMF-UHFFFAOYSA-N 271.302 -0.853 50 20 CBGD Cn1cccc1C(=O)NNC(=O)c1c([N+](=O)[O-])cnn1C 766763061 WYRWDSYLMKNCNI-UHFFFAOYSA-N 292.255 -0.258 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cn(C(C)(C)C)nn1 768243965 LKVZBHOYUJMSHP-UHFFFAOYSA-N 269.305 -0.435 50 20 CBGD CC(C)(O)C(=O)NNC(=O)c1cc2c(cc1O)OCO2 768247543 MEKVZDYQGYKHOU-UHFFFAOYSA-N 282.252 -0.347 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H](O)[C@H](C)C1 768767824 FTMNJMJGPIIHDV-OUAUKWLOSA-N 271.361 -0.119 50 20 CBGD CC(=O)Nc1ccccc1CC(=O)NNC(=O)CN(C)C 769927165 NCFRAAKXRJVLJF-UHFFFAOYSA-N 292.339 -0.104 50 20 CBGD CCOc1ncc(C(=O)NNC(=O)CO)cc1Cl 777782194 WQIINKXLCVHVNC-UHFFFAOYSA-N 273.676 -0.113 50 20 CBGD CCNC(=O)N(C)NS(=O)(=O)[C@H]1CCOC1 782477006 CCIHYNWNOHSHJH-ZETCQYMHSA-N 251.308 -0.729 50 20 CBGD CCO/C=C(\C#N)C(=O)N[C@@H](CO)C(=O)OCC 782760220 PSLAOYRTJYWWOG-FLOXNTQESA-N 256.258 -0.529 50 20 CBGD C=CCNC(=S)NNC(=O)c1c(C)nc(N)nc1C 798306949 DJKXGOXVOPYTKZ-UHFFFAOYSA-N 280.357 -0.029 50 20 CBGD Cn1cc(C(=O)NNC(=O)Cc2ccc(F)cn2)cn1 806882106 SCBUHQGNAFRLDL-UHFFFAOYSA-N 277.259 -0.042 50 20 CBGD CCN(CCO)NC(=O)[C@@H](C)NC(=O)C(C)(C)C 823841186 DZSNVEQVIFVNPL-SECBINFHSA-N 259.350 -0.117 50 20 CBGD CCN(CCO)NC(=O)[C@@H]1CCCc2nn[nH]c21 823889385 UWTJJERTFJLRMG-MRVPVSSYSA-N 253.306 -0.430 50 20 CBGD CO[C@@H]1COC[C@H]1NC(=O)NNC(=O)c1cccc(C)n1 826670601 SRXILOXKQIKFSU-GHMZBOCLSA-N 294.311 -0.252 50 20 CBGD CC(C)NC(=O)C(=O)NN=Cc1cccn1CC(=O)O 833502004 LUORHZOIMNIBGE-UHFFFAOYSA-N 280.284 -0.453 50 20 CBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCCN 841919847 BVRSDETWGWQVAE-QMMMGPOBSA-N 284.291 -0.118 50 20 CBGD C[C@@H]1CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)CO1 842528094 OMXHHPAFZMJNKJ-RNFRBKRXSA-N 263.319 -0.795 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2nnnn2c1 843652290 IYDQLNAGMPOLMK-CBAPKCEASA-N 290.283 -0.690 50 20 CBGD C=C[C@](C)(O)CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843970020 AVGJFOVIGIEBPY-LNLATYFQSA-N 256.302 -0.114 50 20 CBGD CC[C@@H](C#N)C(=O)NNC(=O)C(=O)N1CCCC1 845354075 XFVARPILUGAARD-QMMMGPOBSA-N 252.274 -0.694 50 20 CBGD Cc1nnc(CC(=O)NNC(=O)N2CCN(C)CC2)s1 854381627 NZLJGFFWOHWFRR-UHFFFAOYSA-N 298.372 -0.623 50 20 CBGD CN(CC(=O)NNC(=O)C1CC1)CC1(C)COC1 859572422 ZUPOOPCZYADBHO-UHFFFAOYSA-N 255.318 -0.488 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc3occc3[nH]2)N1 862457736 PFTDKPYUTAQAML-ZETCQYMHSA-N 276.252 -0.200 50 20 CBGD Cc1cc(=NNC(=O)NC[C@@H]2CNC(=O)C2)cc[nH]1 875664799 CZXZCKRXSUROFV-VIFPVBQESA-N 263.301 -0.426 50 20 CBGD C[C@@]1(C(=O)NNC(=O)CO)CCOc2ccccc21 897605283 CXBZDHUBBNSTIF-CYBMUJFWSA-N 264.281 -0.134 50 20 CBGD CN1CC[C@H](C(=O)NNC(=S)NC(C)(C)C)C1=O 899995949 KLHXVJKLHVSRLY-SSDOTTSWSA-N 272.374 -0.242 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CC(c2cccnc2)=NO1 910151969 IASOWWOIPNWEAT-BXKDBHETSA-N 278.312 -0.082 50 20 CBGD CCS(=O)(=O)CC(=O)NNC(=O)C(C)(C)C 919748101 RJCHEIFWFBCIOE-UHFFFAOYSA-N 250.320 -0.385 50 20 CBGD CCc1c(C(=O)NNC(=O)C(=O)NC(C)C)cnn1C 1115853240 QVLWNHIYZWHOBN-UHFFFAOYSA-N 281.316 -0.732 50 20 CBGD CCc1nocc1C=NNC(=O)[C@@H](C)NS(C)(=O)=O 1261235630 BQDMHQXCNZHVNZ-SSDOTTSWSA-N 288.329 -0.375 50 20 CBGD Cc1ccc(C(=O)NCC(=O)NNC(=O)CN(C)C)s1 1321488131 LUKGWOPJYSCVOF-UHFFFAOYSA-N 298.368 -0.505 50 20 CBGD O=C(CN1CCC(=O)NC1=O)NNc1ccc(Cl)nn1 1321937051 GLMXKDRKJIZYQF-UHFFFAOYSA-N 298.690 -0.485 50 20 CBGD NC(=O)c1ccc(C(=O)NNC(=O)c2ccccn2)cn1 1324553455 QLMUGQKARCSKPI-UHFFFAOYSA-N 285.263 -0.350 50 20 CBGD CNC(=O)NNC(=O)C(C)(C)S(=O)(=O)C1CC1 1325440105 WKFIZZAGDAZYSI-UHFFFAOYSA-N 263.319 -0.698 50 20 CBGD COCn1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1 1328342801 PJTDXIPDGDSWJM-DTWKUNHWSA-N 282.300 -0.327 50 20 CBGD COCCCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1328689053 JZWAPBAPWHEISY-MRVPVSSYSA-N 272.305 -0.978 50 20 CBGD Cn1c(=O)oc2c(C(=O)N3CC[C@H](B(O)O)C3)cccc21 1329672498 QIJACGCQLSQDNP-QMMMGPOBSA-N 290.084 -0.180 50 20 CBGD C[C@@H](CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)n1ccnc1 1330107994 LIPYMGCRTNDCQZ-IUCAKERBSA-N 279.300 -0.740 50 20 CBGD O=C(NNC(=O)[C@@H]1CCNC1=O)OCC(F)(F)F 1330966109 IHEJKVMEGLBPHQ-SCSAIBSYSA-N 269.179 -0.558 50 20 CBGD CCN1CCOC[C@H]1C(=O)NNC(=O)NC1CCCC1 1337044840 SYEHSNKHBOJZPI-NSHDSACASA-N 284.360 -0.020 50 20 CBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CC(c2cnn(C)c2)=NO1 1339046403 YVISNHHXIUFHSC-LDYMZIIASA-N 281.316 -0.743 50 20 CBGD CCn1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C)n1 1348479065 QFAHYRCNHGWQSE-SECBINFHSA-N 279.300 -0.749 50 20 CBGD CCCCNC(=O)NNC(=O)[C@]1(C)C[C@@H](O)CN1 1573735386 KRPPAPDQWBWXPZ-KCJUWKMLSA-N 258.322 -0.770 50 20 CBGD C[C@H](CCCN)NC(=O)NNC(=O)c1cnn(C)c1 1575951843 JOAJJGHOBJESEU-MRVPVSSYSA-N 268.321 -0.509 50 20 CBGD CC1(C)[C@@H](N)C[C@H]1C(=O)NNC(=O)c1cccnn1 1576370693 DFXMAZWQEKXPGF-CBAPKCEASA-N 263.301 -0.389 50 20 CBGD O=C(CCC1CNC1)NNC(=O)c1cnsn1 1580526715 PLLSECDYPDCREY-UHFFFAOYSA-N 255.303 -0.701 50 20 CBGD CC(C)(C)O[C@H]1C[C@H](NC(=O)NNC(=O)C(=O)O)C1 1590407761 IJGDSZINRUVIFI-LJGSYFOKSA-N 273.289 -0.253 50 20 CBGD COCCN(C)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1 1599232487 SIWIBQAVEHAVFC-IWSPIJDZSA-N 260.290 -0.526 50 20 CBGD O=C(O)c1cc(C(=O)N2CC[C@@H](B(O)O)C2)ccn1 1602243197 FYOCPXBPEVAQQO-MRVPVSSYSA-N 264.046 -0.531 50 20 CBGD O=C(CN1C[C@H]2CNC[C@@H]2C1)NNC(=O)c1cccs1 107855712 SMDLQGUXKVFHEW-NXEZZACHSA-N 294.380 -0.340 50 20 CBGD CC(C)NC(=O)CNS(=O)(=O)CBr 127020240 JWGBUASFYJGIJQ-UHFFFAOYSA-N 273.152 -0.217 50 20 CBGD Cc1cnn(CCC(=O)NNC(=O)C(=O)N2CCCC2)c1 132190360 VWALSPIEZAGFRK-UHFFFAOYSA-N 293.327 -0.649 50 20 CBGD Cn1cc(C(=O)NNC(=O)c2cc(C#N)c[nH]2)cn1 175708499 BQGPPBHIZNVHHX-UHFFFAOYSA-N 258.241 -0.305 50 20 CBGD CC(C)N(C)CC(=O)NNC(=O)Cc1cc[nH]n1 186138383 ZYDWKXPYKYDBIS-UHFFFAOYSA-N 253.306 -0.560 50 20 CBGD CN(C)S(=O)(=O)NNC(=O)COc1ccccc1O 264574719 IKJAJTGVBFQPBQ-UHFFFAOYSA-N 289.313 -0.802 50 20 CBGD CCO[C@@H]1C[C@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1 269321863 SMGVIJFBKQBPOI-HTRCEHHLSA-N 292.299 -0.063 50 20 CBGD COC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)c1cccn1C 284907019 ATQSBDAKPOKODD-BDAKNGLRSA-N 279.296 -0.015 50 20 CBGD CCn1nc(C)c(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)n1 293829791 FZQYNFCPPHYXPU-CBAPKCEASA-N 281.316 -0.065 50 20 CBGD CCCCOCCNC(=O)c1cccc(B(O)O)c1 584939529 NJUPYYYIUBQYLD-UHFFFAOYSA-N 265.118 -0.087 50 20 CBGD CCc1noc(CN(C)C(=O)c2cccc(B(O)O)c2)n1 584940000 NOGPHFYPIAQCMK-UHFFFAOYSA-N 289.100 -0.416 50 20 CBGD CCN1CC[C@H](N(C)C(=O)c2cccc(B(O)O)c2)C1 584942657 VKFGAXOWSVUZJS-ZDUSSCGKSA-N 276.145 -0.467 50 20 CBGD C[C@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)CCN1C 584949180 CZTKOIDHRXWKAN-GWCFXTLKSA-N 276.145 -0.421 50 20 CBGD CC[C@@H](C)[C@@H](O)CNC(=O)c1ccc(B(O)O)c(F)c1 584961064 XLLKTAPZJAZAAE-PELKAZGASA-N 283.108 -0.358 50 20 CBGD CC[C@H](CO)N(C)C(=O)c1cc(B(O)O)ccc1F 584995458 UFICXIPHHRIKQW-SECBINFHSA-N 269.081 -0.652 50 20 CBGD CC1(C)COC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584996336 FTIIZFQZLQGNRY-LLVKDONJSA-N 281.092 -0.340 50 20 CBGD CC[C@@H](C)[C@@H](CO)NCc1ccccc1B(O)O 585025445 UOZFYCKLISOYFB-ZWNOBZJWSA-N 251.135 -0.137 50 20 CBGD C[C@@](O)(CNCc1ccc(B(O)O)cc1F)C(F)(F)F 585032630 XJOSARVXDPCKBR-SNVBAGLBSA-N 295.041 -0.092 50 20 CBGD C[C@@H](CCO)CCNCc1ccccc1B(O)O 585043829 SSXOXBIVCSOTEB-LLVKDONJSA-N 251.135 -0.135 50 20 CBGD O=C(NCB(O)O)C1(C(=O)Nc2ccc(F)cc2)CC1 585055479 BUWYVEWFOBTBNZ-UHFFFAOYSA-N 280.064 -0.327 50 20 CBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)Cc1cccnc1 728891620 BIGRLKICCHPRLK-VIFPVBQESA-N 278.312 -0.314 50 20 CBGD Cn1cc(C(=O)NNC(=O)C(C)(C)NC(=O)O)cn1 739023845 ZKNXSGSODARHRK-UHFFFAOYSA-N 269.261 -0.773 50 20 CBGD O=C(COCC1CC1)NNC(=O)N1CCOCC1 745986266 QCOAUHRCBDMGBU-UHFFFAOYSA-N 257.290 -0.514 50 20 CBGD Cn1ccnc(NNC(=O)CCOC[C@@H]2CCCO2)c1=O 747941816 PCJCHRVAEVQJBY-JTQLQIEISA-N 296.327 -0.191 50 20 CBGD Cc1ccc(C(=O)NNS(=O)(=O)c2cnc[nH]2)o1 753086159 QDEPBEXPVQOLIQ-UHFFFAOYSA-N 270.270 -0.066 50 20 CBGD CC(C)(C)OC(=O)N[C@H](CO)C(=O)NNC(=O)C1CC1 753771552 QVVZYOBHNIGSQK-MRVPVSSYSA-N 287.316 -0.571 50 20 CBGD COCC(=O)NNC(=O)Nc1ccc(C)c(C(N)=O)c1 756328045 ZYETXTDAWFEECS-UHFFFAOYSA-N 280.284 -0.107 50 20 CBGD C[C@@H]1CC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)CN1C 761805040 WLAQRLQJNYGYQO-RKDXNWHRSA-N 273.358 -0.383 50 20 CBGD O=C(CO)NNC(=O)C1CCN(CC(F)(F)F)CC1 777782446 CHWZPNMILCAGDT-UHFFFAOYSA-N 283.250 -0.600 50 20 CBGD COCC(=O)NNC(=O)C(=O)N1CCc2cc(F)ccc21 802567449 OWQHLRAYFYWCIU-UHFFFAOYSA-N 295.270 -0.491 50 20 CBGD COc1cccc(C(=O)NNC(=O)c2cnn(C)n2)c1O 806552780 ZREHHOLDUMUMLG-UHFFFAOYSA-N 291.267 -0.396 50 20 CBGD CCCCNC(=O)NNC(=O)[C@@H]1CCCN1C=O 823763114 PDYSPAFKNCAAKQ-VIFPVBQESA-N 256.306 -0.262 50 20 CBGD C[C@H](CO)N(C)NC(=O)c1cn(C(C)(C)C)nn1 823928118 LDDXMCRQISSTCE-MRVPVSSYSA-N 255.322 -0.010 50 20 CBGD C[C@@H](NC(=O)c1ccoc1)C(=O)NN(C)[C@H](C)CO 823971138 PHWXUBGOPMALFT-RKDXNWHRSA-N 269.301 -0.258 50 20 CBGD CCc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C)nn1 862460780 JVCNZMKRZWBXJU-JTQLQIEISA-N 291.311 -0.613 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2c[nH]nc2C1)c1cn[nH]c1 862472547 MGLTZNYCNASQCQ-SSDOTTSWSA-N 274.284 -0.301 50 20 CBGD C#CC1(O)CN(C(=O)/C(C#N)=C/c2cnn(C)c2)C1 890526367 VNCYOTYYQGLZBE-NYYWCZLTSA-N 256.265 -0.466 50 20 CBGD CCC1(C(=O)NNC(=O)CN2CCCC2=O)CC1 913731383 GEJNOKFVPXSPMT-UHFFFAOYSA-N 253.302 -0.054 50 20 CBGD Cc1nscc1C(=O)NNC(=O)CN1CCCC1=O 913731940 BMMYQFKZKYFHPN-UHFFFAOYSA-N 282.325 -0.165 50 20 CBGD CC(C)(C)C(=O)NNC(=O)[C@@H]1CCCN1S(C)(=O)=O 917182682 SYCDOBFBEHABAD-QMMMGPOBSA-N 291.373 -0.396 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)NC1CCCCC1 919689106 WYPVASAYLDPXGI-UHFFFAOYSA-N 277.346 -0.306 50 20 CBGD CCC/C=C\C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 920432778 CSTHWGONWUHVGI-XRVBUDJMSA-N 274.342 -0.075 50 20 CBGD CNC(=O)NNC(=O)c1cccc(C(=O)N(C)C)c1 1115978978 JTHMZWAFUSZUCK-UHFFFAOYSA-N 264.285 -0.038 50 20 CBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccnn1C(C)C 1116623387 HXUNNTIHQHSBKZ-UHFFFAOYSA-N 297.315 -0.414 50 20 CBGD COC(=O)NNC(=O)[C@H]1CCc2nnn(C)c2C1 1117628486 GTLLCBQBDABTCR-LURJTMIESA-N 253.262 -0.693 50 20 CBGD O=C(c1cc(-n2cccn2)ccn1)N1CC[C@@H](B(O)O)C1 1118976336 VXQVMPPGMGBJBS-SNVBAGLBSA-N 286.100 -0.044 50 20 CBGD CCN(CCO)NC(=O)COCc1ccncc1 1119047312 GOHMVQIJSKBVDA-UHFFFAOYSA-N 253.302 -0.056 50 20 CBGD C[C@@H](C(=O)NNc1cccnn1)N1C(=O)CCC1=O 1320064320 RGNJTFAGNUSNFC-ZETCQYMHSA-N 263.257 -0.543 50 20 CBGD CSCC[C@H](O)C(=O)NNC(=O)Cc1cc[nH]n1 1320395310 QBBMSFPVQWOMHC-QMMMGPOBSA-N 272.330 -0.786 50 20 CBGD Cc1cc(C)nc(C(=O)NNC(=O)C(=O)NC2CC2)c1 1321244246 QUVCIJVLXGSMBC-UHFFFAOYSA-N 276.296 -0.262 50 20 CBGD COC(=O)C(=O)NN=Cc1ccc(O)c([N+](=O)[O-])c1 1322286895 UIUMOKSXQVSBSJ-UHFFFAOYSA-N 267.197 -0.077 50 20 CBGD COCCCNC(=O)NNC(=O)c1ocnc1C 1323482403 LKJKQXFIYRVESS-UHFFFAOYSA-N 256.262 -0.036 50 20 CBGD CC(=O)NNC(=O)Cc1ccc(S(N)(=O)=O)cc1 1327931409 WFTARUFHVSPCEI-UHFFFAOYSA-N 271.298 -0.956 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NNc1ncncc1F 1328147615 QLWDZVLJYCGCHI-BQBZGAKWSA-N 298.278 -0.302 50 20 CBGD N#CSCCCNC(=O)C1(S(N)(=O)=O)CC1 1328296959 LRWHKHGKYMOZRI-UHFFFAOYSA-N 263.344 -0.472 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cnn(C3CC3)c2)N1 1329275866 ZWVAUCWQHLQKNN-VIFPVBQESA-N 277.284 -0.742 50 20 CBGD O=C(Cc1cc(O)nc(O)n1)NN=Cc1ccncc1 1329988261 CBERGTUUCFXPQF-UHFFFAOYSA-N 273.252 -0.024 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cn(CC)cn1 1330504880 FSTXOFURFHLEGC-UHFFFAOYSA-N 295.343 -0.031 50 20 CBGD Cn1nc(C(=O)NNC(=O)Cc2ccncc2)ccc1=O 1330677488 FEJAPWRMPXZEFE-UHFFFAOYSA-N 287.279 -0.821 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@@H]2CCSC2)N1 1332649353 FFZIHXAAMIGUSV-JGVFFNPUSA-N 286.357 -0.652 50 20 CBGD CCNC(=O)NNC(=O)c1cnc2c(c1)nnn2C 1337751794 HWGOGUZNSDOGQJ-UHFFFAOYSA-N 263.261 -0.673 50 20 CBGD O=C(Cc1cccnc1)NNC(=O)N1CC[C@H]1CO 1339895631 SMCNUAWBZIKUDX-JTQLQIEISA-N 264.285 -0.569 50 20 CBGD COCCOCC(=O)NNC(=O)/C=C/[C@H]1CCOC1 1348740363 AYJQFJHEEYQPRK-PBKGFPTLSA-N 272.301 -0.611 50 20 CBGD C[C@@]1(C(=O)NNC(=O)CS(C)(=O)=O)CC1(F)F 1351665893 HWCOASHQHPLBJR-ZETCQYMHSA-N 270.257 -0.776 50 20 CBGD COc1ccc(C(=O)NNC(=O)[C@@H]2C[C@@H](OC)CN2)cc1 1574023460 KSPMHAYOCNHLAF-NEPJUHHUSA-N 293.323 -0.167 50 20 CBGD O=C(NNC(=O)[C@H]1CCN1)c1ccc(Cn2cccn2)o1 1580733193 PCRZXUHNIOAPKD-SNVBAGLBSA-N 289.295 -0.353 50 20 CBGD C[C@@H](CNC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)C(=O)O 1589056303 NHGSNHHUDPSLJH-JQCXWYLXSA-N 285.300 -0.395 50 20 CBGD CCCCNC(=O)NNC(=O)[C@]1(C(=O)O)CCCO1 1589650048 CSMWRYJYVDIHMQ-NSHDSACASA-N 273.289 -0.249 50 20 CBGD COC(=O)[C@H](NNC(=O)C(=O)O)c1ccccc1F 1598708245 BUQUUUKEOQSBJG-MRVPVSSYSA-N 270.216 -0.255 50 20 CBGD Cc1[nH]c(C(=O)O)c(C)c1C(=O)NN(C)C(N)=O 1599957264 LMCPVTCVXDZLLQ-UHFFFAOYSA-N 254.246 -0.015 50 20 CBGD CC(C)(C)NC(=S)NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1603350292 VCHVCLCMPRKBPG-RQJHMYQMSA-N 289.357 -0.088 50 20 CBGD COCC(=O)NNC(=O)c1ccc2c(c1)OCO2 41781376 DWKISNGMEICTJI-UHFFFAOYSA-N 252.226 -0.177 50 20 CBGD CCOC(=O)NNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 53576401 MLKJXZJUUYRBKI-GFCCVEGCSA-N 298.299 -0.516 50 20 CBGD CCN(CC)C(=O)CN(C)CC(=O)NNC(=O)C1CC1 112976041 HPLBNOJMYAQHLV-UHFFFAOYSA-N 284.360 -0.656 50 20 CBGD CN(C)CC(=O)NNC(=O)CCNC(=O)c1cccs1 113427533 GXBYHPDNVGHACT-UHFFFAOYSA-N 298.368 -0.423 50 20 CBGD CCCNC(=S)NNC(=O)N[C@H]1CCS(=O)(=O)C1 138955869 COZOPQROOXQABP-ZETCQYMHSA-N 294.402 -0.738 50 20 CBGD CN(C)CC(=O)NNC(=O)c1cn(C(C)(C)C)nn1 192272854 HQOIDWHDCRMILF-UHFFFAOYSA-N 268.321 -0.644 50 20 CBGD COc1cc(C=NNC(=O)C(N)=O)cc(OC)c1OC 254593112 KFEPNMVIZUJULL-UHFFFAOYSA-N 281.268 -0.352 50 20 CBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1CCSC1 266783137 KQBHKWHHFQCJAN-QMMMGPOBSA-N 286.357 -0.555 50 20 CBGD COC(=O)N1CC(NC(=O)NNc2nccc(OC)n2)C1 269303704 VTYKGZKGLUVSFS-UHFFFAOYSA-N 296.287 -0.438 50 20 CBGD CS[C@H](C)CNC(=O)NNC(=O)C(=O)N1CCCC1 269812239 HCPUYDPCBVPWMF-MRVPVSSYSA-N 288.373 -0.309 50 20 CBGD CC(C)(C)OCC(=O)NNC(=O)C(=O)N1CCCC1 272592592 TYHXVTVXWVAAAG-UHFFFAOYSA-N 271.317 -0.429 50 20 CBGD Nc1nc(Cl)cc(NNC(=O)[C@H]2COCCO2)n1 273517879 PZVZCAQKAWQHMR-RXMQYKEDSA-N 273.680 -0.429 50 20 CBGD CO[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)C1CC1 279434816 DVHJUVGMSQVCNH-SECBINFHSA-N 269.301 -0.819 50 20 CBGD COC(=O)c1ccc(C(=O)NNC(=O)C2CC2)n1C 292587114 DWVIYAFIDILASY-UHFFFAOYSA-N 265.269 -0.017 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 294144825 HGEQFVXPIHXYGH-FXQIFTODSA-N 273.289 -0.554 50 20 CBGD CNC(=O)NCC(=O)NN(C)C(=O)OC(C)(C)C 297622922 KPXGNGYAILZYPV-UHFFFAOYSA-N 260.294 -0.187 50 20 CBGD COC(=O)N[C@@H](C)C(=O)NNc1cc(C)ncn1 494077674 HNNQQADGNBARJO-ZETCQYMHSA-N 253.262 -0.027 50 20 CBGD COC(=O)N(C)NC(=O)[C@@H]1CCCCS1(=O)=O 495822835 JZAOWFLKYJEPPQ-ZETCQYMHSA-N 264.303 -0.317 50 20 CBGD CN1CCN(C(=O)c2cccc(B(O)O)c2)C(C)(C)C1=O 584958276 PITQPCFESSPLLO-UHFFFAOYSA-N 290.128 -0.941 50 20 CBGD C[C@]1(NC(=O)c2ccc(B(O)O)c(F)c2)CCCOC1 584969979 JIJKEWGURGXAOC-ZDUSSCGKSA-N 281.092 -0.196 50 20 CBGD COC[C@@H](C)[C@H](C)NC(=O)c1cc(B(O)O)ccc1F 584993202 XMTFZDWZTHVZPE-BDAKNGLRSA-N 283.108 -0.094 50 20 CBGD Cn1ncc(C2CC2)c1CNC(=O)c1ccc(B(O)O)cc1 585007114 JUIHLTOPEBVWHW-UHFFFAOYSA-N 299.139 -0.093 50 20 CBGD COC[C@@H]1CCCN1C(=O)c1cccc(B(O)O)c1 585010715 XYOLUXWNAHUSDN-LBPRGKRZSA-N 263.102 -0.383 50 20 CBGD Cc1nnc2n1CCC[C@@H]2NCc1cccc(B(O)O)c1 585025771 CBPHAJOLOWDRTH-ZDUSSCGKSA-N 286.144 -0.109 50 20 CBGD O=C(NCB(O)O)c1nn(-c2ccc(F)cc2)cc1O 585062368 HHQPRCIIOWHVEY-UHFFFAOYSA-N 279.036 -0.541 50 20 CBGD CCCCCS(=O)(=O)CC(=O)NNC(=O)N(C)C 728022551 DCOXXTASFGOABH-UHFFFAOYSA-N 279.362 -0.106 50 20 CBGD COc1ccc2c(c1)C=C(C(=O)NNC(=O)CO)CO2 753451305 DCDXVCMGPGMPLA-UHFFFAOYSA-N 278.264 -0.389 50 20 CBGD CCOC(=O)NNC(=O)Nc1nccn(C)c1=O 757905606 VSEQOJVQCVFKQS-UHFFFAOYSA-N 255.234 -0.437 50 20 CBGD C#CCNC(=S)NNC(=O)[C@H](C)CN1CCOCC1 758180362 JKOHIRXYIZGQQW-SNVBAGLBSA-N 284.385 -0.917 50 20 CBGD C#CCOc1ccc(NC(=O)C(=O)NNC(C)=O)cc1 763512941 VKLKBGOOONOQDU-UHFFFAOYSA-N 275.264 -0.196 50 20 CBGD COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)C(C)(C)O)C1 768258969 BTIZPPSMVKJMDZ-DTWKUNHWSA-N 286.328 -0.116 50 20 CBGD COc1nccnc1NNC(=O)[C@H](C)CC(N)=O 774466505 MWZZNBFLGHKFCD-ZCFIWIBFSA-N 253.262 -0.560 50 20 CBGD CCCNC(=O)NNC(=O)c1cnc(N(C)C)cn1 779658982 HQEUBQPJANWIIA-UHFFFAOYSA-N 266.305 -0.103 50 20 CBGD COc1cccc(NNC(=O)CN2CCC(=O)NC2=O)n1 780771996 NYETUQYDJJBMBA-UHFFFAOYSA-N 293.283 -0.525 50 20 CBGD Cn1nnc2cc(C(=O)NNC(=O)c3ccccn3)cnc21 780978442 OUYLGFBIIOHEND-UHFFFAOYSA-N 297.278 -0.167 50 20 CBGD O=C(NNc1nc2ccccn2n1)[C@H]1COCCO1 791241977 BMNOPUXJSHRODA-MRVPVSSYSA-N 263.257 -0.412 50 20 CBGD COC[C@](C)(O)C(=O)NNC(=O)Cc1ccccc1OC 792798049 LLDPJYQOJCPFJI-AWEZNQCLSA-N 296.323 -0.218 50 20 CBGD Cn1nnc2c(C(=O)NNC(=O)NCC3CC3)ccnc21 801140371 KQYASXJXLHZAFM-UHFFFAOYSA-N 289.299 -0.283 50 20 CBGD Cn1cccc1C(=O)NNC(=O)C[C@H]1CCC(=O)N1 816824435 ZEEFUQWBZNQVGG-MRVPVSSYSA-N 264.285 -0.545 50 20 CBGD O=C(NNC(=O)[C@@H]1CCc2cncn2C1)NC1CC1 823768042 NFNUTCWVVDYIFI-MRVPVSSYSA-N 263.301 -0.062 50 20 CBGD CCN(CCO)NC(=O)CCCNC(=O)C1CC1 823846937 PFJBKVSLBLKZQF-UHFFFAOYSA-N 257.334 -0.362 50 20 CBGD COc1c(C(=O)NN(C)[C@H](C)CO)c(C)nn1C 823960011 UFUKANYISVQFLE-SSDOTTSWSA-N 256.306 -0.305 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCCc2nn[nH]c21 826754668 OIMLZXSILQVLBW-ZETCQYMHSA-N 289.299 -0.283 50 20 CBGD COCC(COC)NC(=O)NNC(=O)[C@@H]1CCCCO1 836611672 QSHBTTOBUUKHKQ-JTQLQIEISA-N 289.332 -0.453 50 20 CBGD CCCN1C[C@H](C(=O)NN(C)CCOC)CC1=O 840454045 VAOSTFKLBHTCDJ-SNVBAGLBSA-N 257.334 -0.146 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NN=C1CCS(=O)(=O)C1 842553719 FZXGZOALXIECLB-VXNVDRBHSA-N 260.315 -0.298 50 20 CBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)COCC1CC1 843646390 QBDRGMUXDJJFOX-PSASIEDQSA-N 256.302 -0.015 50 20 CBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)S(C)(=O)=O 843654053 YXEVLLSUFSWTRV-JGVFFNPUSA-N 292.357 -0.618 50 20 CBGD CCn1ccc(C(=O)NNC(=O)NCCCOC)n1 843774991 MHSOLSICPMDDBX-UHFFFAOYSA-N 269.305 -0.117 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CNC(=O)C1CC1 843973142 JYACIFODFADUIO-APPZFPTMSA-N 269.301 -0.915 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCn1cccn1 843976246 WQSVXNQPDGQYIJ-UWVGGRQHSA-N 266.301 -0.154 50 20 CBGD CCNC(=O)NNC(=O)Cn1nnc2c1CCCC2 847390699 JPQFBXXOIFLGGJ-UHFFFAOYSA-N 266.305 -0.493 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](N2CCOC2=O)C1 852436789 NJMZBBNLHZGDJE-UWVGGRQHSA-N 298.343 -0.541 50 20 CBGD COCCCNC(=S)N(C)NC(=O)C1(O)CCC1 854283960 RHOPLQUILDZXJV-UHFFFAOYSA-N 275.374 -0.225 50 20 CBGD O=CN1CCC[C@H]1C(=O)NNC(=O)N=c1cc[nH]cc1 854377182 JPIRHHJKNAGZSP-JTQLQIEISA-N 277.284 -0.723 50 20 CBGD O=C(NCC(Cl)Cl)c1cnn(C[C@H](O)CO)c1 854450949 OGPSBGGYLJAUSM-ZETCQYMHSA-N 282.127 -0.230 50 20 CBGD Cn1cc(/C=C(\C#N)C(=O)N[C@@H]2COC(=O)C2)cn1 854554595 KSUMXKQRAGMNNF-HDQHCQLZSA-N 260.253 -0.241 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H](C)NC(=O)c1ccoc1 854925272 CVIAFIPDLCFJCN-SSDOTTSWSA-N 284.341 -0.135 50 20 CBGD C=C(CC)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858524805 SZIKIZUIAWMGLZ-MRVPVSSYSA-N 254.290 -0.438 50 20 CBGD CCNC(=O)NNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 858782029 LEJZUPNNHLGDMC-MRVPVSSYSA-N 294.315 -0.877 50 20 CBGD COC(=O)Cn1cc(C(C)=NNC(=O)c2cn[nH]c2)nn1 863155168 ZPLMTRYELZQKEE-UHFFFAOYSA-N 291.271 -0.672 50 20 CBGD COCCOCC(=O)NNC(=O)C[C@@H](C)COC 869908437 NHFMMIYIFNDTCF-SECBINFHSA-N 262.306 -0.531 50 20 CBGD CC(=O)NCC(=O)NNC(=O)c1ccccc1F 913416440 DRNVOBCOKZDWTJ-UHFFFAOYSA-N 253.233 -0.277 50 20 CBGD O=C(NNC(=S)NC1CCC1)[C@@H]1CCS(=O)(=O)C1 1117697420 DREJGLYYKYRHET-SSDOTTSWSA-N 291.398 -0.531 50 20 CBGD CN(C)C(=O)NNC(=O)c1sccc1S(N)(=O)=O 1118571375 BTZWVVROLHMVJR-UHFFFAOYSA-N 292.342 -0.689 50 20 CBGD Cc1cocc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1118803970 UFDIIVXQVRIWMC-MRVPVSSYSA-N 286.309 -0.216 50 20 CBGD CCOCC(=O)NNc1nc(O)c2cnn(C)c2n1 1253272717 JNQUOMQJACFLFZ-UHFFFAOYSA-N 266.261 -0.452 50 20 CBGD C#CCOCCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1261453870 RFTUYZSRATZSGG-NXEZZACHSA-N 269.301 -0.608 50 20 CBGD Cc1nc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)[nH]c1C 1261653058 ZMQDHYODWFVRLA-VIFPVBQESA-N 299.356 -0.153 50 20 CBGD O=C(NNC(=O)[C@]1(O)CCSC1)C1CCOCC1 1262194559 VWUAAGBQJZYITC-NSHDSACASA-N 274.342 -0.572 50 20 CBGD COCCCNC(=O)NNC(=O)c1cc(C)on1 1318004765 NFIXZECLCKUMKW-UHFFFAOYSA-N 256.262 -0.036 50 20 CBGD COc1cc(NC(=O)C(=O)NNC(C)=O)ccc1F 1320658301 OMLTWWDPXCGIHJ-UHFFFAOYSA-N 269.232 -0.060 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@H]2CCOC2)nn1 1322495236 LAHAIEWHYCKEQK-LURJTMIESA-N 251.246 -0.945 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)Cc1cncn1C 1323170146 NZKNYEBMEPEFAX-UHFFFAOYSA-N 262.273 -0.545 50 20 CBGD COc1cc(C)cnc1C(=O)NNC(=O)C(=O)NC1CC1 1324562152 SZMFWPMDWPSCFJ-UHFFFAOYSA-N 292.295 -0.562 50 20 CBGD Cc1ccnc(O)c1C(=O)NNC(=O)N1CCOCC1 1325051999 XJOOFIRXGOYMMW-UHFFFAOYSA-N 280.284 -0.218 50 20 CBGD CC(C)(C=NNC(=O)[C@@H]1CCC(=O)N1)S(C)(=O)=O 1329191122 JPAQBPMZQIZNKY-ZETCQYMHSA-N 275.330 -0.810 50 20 CBGD O=C1CC[C@]2(C(=O)N3CC[C@@H](B(O)O)C3)SCCN12 1329672560 QRZQZZWKZCTJIH-LDYMZIIASA-N 284.146 -0.873 50 20 CBGD C[C@@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)S(C)(=O)=O 1334587739 HEWLOKAOQHOVOR-SYUPGTOSSA-N 296.352 -0.124 50 20 CBGD COCCc1nsc(N2CC[C@@H](B(O)O)C2)n1 1348490019 KLJQNTRYFCNEGX-SSDOTTSWSA-N 257.124 -0.220 50 20 CBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CCc2nnn(C)c2C1 1348954953 LDNSCFXKWYHHQA-IUCAKERBSA-N 267.333 -0.736 50 20 CBGD CO[C@H]1CN[C@](C)(C(=O)NNC(=O)c2cccnn2)C1 1573960197 GPMUWEMRQGQGEA-PELKAZGASA-N 279.300 -0.995 50 20 CBGD CN1C(=O)CCC[C@@H]1C(=O)NNC(=O)CCCCCN 1578513425 SXYFQWJTVALXBU-SNVBAGLBSA-N 284.360 -0.336 50 20 CBGD N#C[C@@H]1CNC[C@H]1NC(=O)NN=c1cc[nH]c2cccnc12 1580043928 SSVVFLDNKFTGFG-BXKDBHETSA-N 297.322 -0.211 50 20 CBGD CC(C)C(=O)NNC(=O)[C@H]1CCCN(CC(=O)O)C1=O 1588799322 CVAYUUYNVCTFPT-MRVPVSSYSA-N 285.300 -0.887 50 20 CBGD CC1(CNC(=O)NNC(=O)C(=O)O)CC(F)(F)C1 1594019348 ANOLUPWOFZXGRC-UHFFFAOYSA-N 265.216 -0.163 50 20 CBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1ccc(C(=O)O)cn1 1594632671 PWIYHJANNSXBKB-XRGYYRRGSA-N 280.240 -0.280 50 20 CBGD Cc1cc(NNC(=O)[C@@H](C)CC(=O)O)nc(N)n1 1600283523 VPKSHNMUCDQWOT-YFKPBYRVSA-N 253.262 -0.079 50 20 CBGD Cc1nn(C)c2ncc(C=NNC(=O)C(=O)O)cc12 1600776252 SDZNYZOOJVMXNP-UHFFFAOYSA-N 261.241 -0.189 50 20 CBGD O=C(O)CCCNC(=S)NNC(=O)c1cnccn1 1601993193 FMQNMVOPVSLDIN-UHFFFAOYSA-N 283.313 -0.550 50 20 CBGD O=C1CC[C@H](C(=O)NN=Cc2ccoc2C(=O)O)N1 1602638586 SXBDXZOXBAJENG-SSDOTTSWSA-N 265.225 -0.294 50 20 CBGD CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)C(=O)O)C1 1603343697 AEDPUKKZUFHUOW-ZETCQYMHSA-N 272.305 -0.726 50 20 CBGD CNC(=O)NNC(=O)c1[nH]c(C)c(C(=O)O)c1C 1606280986 NKJJJSVZTMYVSM-UHFFFAOYSA-N 254.246 -0.096 50 20 CBGD O=C(Cn1cc(C(=O)O)nn1)NNc1ncc(F)cn1 1608376645 PMPISGXMJQJILA-UHFFFAOYSA-N 281.207 -0.951 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)[C@H]1C[C@@H](C(=O)O)C1 1608424343 PHOHKBXPAVPAQG-SYDPRGILSA-N 283.206 -0.010 50 20 CBGD CC[C@@](COC)(NS(=O)(=O)CCl)C(=O)O 1609926654 VDLAJZLSRGWZQV-ZETCQYMHSA-N 259.711 -0.018 50 20 CBGD NCC(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2 1842876839 OTJOJBDBNOBUCP-QMMMGPOBSA-N 263.700 -0.317 50 20 CBGD NC(=O)NCCCCC(=O)NNc1ncccn1 45075446 AISNKIXKQCLXBH-UHFFFAOYSA-N 252.278 -0.242 50 20 CBGD NC(=O)c1ccc(NNC(=O)[C@H]2CSCCS2)nn1 268226070 KCXQYGBYUGJVLO-SSDOTTSWSA-N 299.381 -0.133 50 20 CBGD COc1ccc(NNC(=O)[C@@H]2COCCO2)nc1 275695805 YBLIKMUTSVZYAM-VIFPVBQESA-N 253.258 -0.051 50 20 CBGD O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1)c1ccccn1 276223132 XVEPYJUTAYKUKC-BDAKNGLRSA-N 279.252 -0.525 50 20 CBGD CN(NC(=O)[C@@H]1CC(c2cccnc2)=NO1)C(N)=O 276662533 FHHNZZRPBRXOHG-VIFPVBQESA-N 263.257 -0.384 50 20 CBGD C#CCSCCNC(=O)NNC(=O)[C@@H]1CCCO1 293132173 WBKPKMUVMFQURQ-VIFPVBQESA-N 271.342 -0.138 50 20 CBGD CC(=O)NCC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1 298212915 XGOXLLCHFTUCJC-MRVPVSSYSA-N 297.286 -0.124 50 20 CBGD CC1(C)[C@H](NC(=O)c2cccc(B(O)O)c2)[C@@H]2CCO[C@H]21 584950932 NUVKXJJGNNZJCG-YNEHKIRRSA-N 289.140 -0.090 50 20 CBGD CC(=O)N1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H](C)C1 584961016 VZNCCHNOPGMHAD-JTQLQIEISA-N 290.128 -0.941 50 20 CBGD CC(C)C[C@@H](CO)CNC(=O)c1cccc(B(O)O)c1 584985388 LEZXGOWBOGOPAO-LLVKDONJSA-N 279.145 -0.249 50 20 CBGD CCC[C@]1(CO)CCN(C(=O)c2cccc(B(O)O)c2)C1 584992241 IXGRXLDKWFAVQM-HNNXBMFYSA-N 291.156 -0.009 50 20 CBGD CC(=O)N1CCC(NCc2cccc(B(O)O)c2)CC1 585014217 KZSSYPSMEKPBCK-UHFFFAOYSA-N 276.145 -0.533 50 20 CBGD C[C@@H](CO[C@@H]1CCOC1)NCc1ccc(B(O)O)cc1F 585030038 DEDJMOCRRNXZIS-GXFFZTMASA-N 297.135 -0.211 50 20 CBGD C[C@H](CCNCc1ccc(B(O)O)cc1F)[S@@](C)=O 585034955 WAGMKBBOTASGTL-AYLIAGHASA-N 287.165 -0.248 50 20 CBGD OB(O)c1ccc(CN[C@H]2CCn3ccnc3C2)o1 585036920 SODRSNKMSZJRAD-VIFPVBQESA-N 261.090 -0.740 50 20 CBGD CC1(C)C[C@]1(C(=O)O)C(=O)N1CC[C@H](B(O)O)C1 585068077 XPVDIJCQZMHNKB-WRWORJQWSA-N 255.079 -0.437 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)N1CCOCC1 746185210 RCJZTOFVBAKMOK-UHFFFAOYSA-N 253.262 -0.975 50 20 CBGD CNC(=O)NNC(=O)c1cc2c(N(C)C)ncnc2n1C 747365493 LNZJFSYBJOFJPK-UHFFFAOYSA-N 291.315 -0.392 50 20 CBGD CC(=O)c1cc(C(=O)NNC(=O)Cc2cc[nH]n2)n(C)c1 755268063 BHRWWIWMRRYWKB-UHFFFAOYSA-N 289.295 -0.046 50 20 CBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(C)[C@H](C)C1 761078253 WORLSSQJAPJABW-NXEZZACHSA-N 256.350 -0.432 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cnn(C)n1 792517577 BKCDRRZINSOWRI-QMMMGPOBSA-N 297.315 -0.446 50 20 CBGD C[C@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)C(=O)N1CCCC1 793304917 PNZJUWOAYASUBR-ZJUUUORDSA-N 295.339 -0.239 50 20 CBGD CC(C)n1ncc(C(=O)NNC(=O)N2CCOCC2)c1N 798938203 UJYVZLFLQCCYLT-UHFFFAOYSA-N 296.331 -0.267 50 20 CBGD CC[C@H](C)N(CC(=O)NNC(=O)C1CC1)CC(=O)OC 799170614 ZYTQMENWTIYZCO-VIFPVBQESA-N 285.344 -0.183 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 807370312 YOTZQCOFHWJTSJ-QMMMGPOBSA-N 287.316 -0.798 50 20 CBGD COCC(=O)NN=Cc1cccc(-c2nn[nH]n2)c1 821680272 FCQPUHTZBZZSQX-UHFFFAOYSA-N 260.257 -0.037 50 20 CBGD CCCCNC(=O)NNC(=O)C1=NN2CCCN=C2N1 823755447 FNDBMOPHHQTOSX-UHFFFAOYSA-N 281.320 -0.905 50 20 CBGD CN1C(=O)CC[C@@H](NC(=O)NNc2ccccn2)C1=O 823897882 JDTZXHBRJMYQMY-MRVPVSSYSA-N 277.284 -0.145 50 20 CBGD CNS(=O)(=O)CCNC(=O)[C@]1(C)C[C@@H]1Br 824059125 CNDOVEKYHITKDH-POYBYMJQSA-N 299.190 -0.175 50 20 CBGD CC[C@@H](CO)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 827272648 BGXBCTWVCVCJSM-VGMNWLOBSA-N 259.306 -0.487 50 20 CBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)c1cnn(C)c1 827303064 ANJYDWGNBCQIED-LURJTMIESA-N 254.246 -0.708 50 20 CBGD C=CCNC(=S)NNC(=O)Cc1nonc1C 845075808 HAHDLQOGUCFZIL-UHFFFAOYSA-N 255.303 -0.398 50 20 CBGD O=C(CC(F)(F)F)NNC(=O)N[C@H]1CCNC1 851672495 PMJUDRAXLXQGFP-YFKPBYRVSA-N 254.212 -0.369 50 20 CBGD CN(NC(=O)[C@@H]1CC[C@H](C(=O)NN(C)C2CC2)O1)C1CC1 854983500 JBLWWGCHBOZJML-TXEJJXNPSA-N 296.371 -0.215 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(N(C)C)CC1 855007019 SAKLCBYSJZSGCW-BDAKNGLRSA-N 255.318 -0.347 50 20 CBGD C[C@H](NC(=S)NNC(=O)[C@H](O)c1cnn(C)c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c1ncccn1 891256749 KIGCVZYIIABOBD-MRVPVSSYSA-N 250.258 -0.193 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O 910152772 NZIGKVQKUIDGFE-XHNCKOQMSA-N 266.363 -0.601 50 20 CBGD CC(=O)N[C@@H](C)C(=O)NNC(=S)NC(C)(C)C 914881684 KEOIOVORWDSYHZ-LURJTMIESA-N 260.363 -0.195 50 20 CBGD CNC(=O)C(=O)NNc1nc(-c2ccccc2)no1 1117046680 BHJMLGVPRFROLC-UHFFFAOYSA-N 261.241 -0.074 50 20 CBGD Cc1c[nH]nc1C=NNC(=O)Cc1cc(O)nc(O)n1 1117703737 BHPNLAUPQWBWMN-UHFFFAOYSA-N 276.256 -0.388 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(CO)CCOCC1 1118214568 SJYAOLOCNYOUQW-UWVGGRQHSA-N 286.328 -0.652 50 20 CBGD C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)NNC(=O)c1cn[nH]c1 1118810412 ICHONUIWQWYCPS-SEJYDQARSA-N 299.356 -0.395 50 20 CBGD C[C@@]1(NNC(=O)NCCCC#N)CCS(=O)(=O)C1 1320956205 NWHCTIOSFFETKT-SNVBAGLBSA-N 274.346 -0.329 50 20 CBGD O=C(NCC(F)(F)F)NNC(=O)c1cc[nH]n1 1321623888 BCHHLABFBMKWBX-UHFFFAOYSA-N 251.168 -0.084 50 20 CBGD C[C@@H](CS(C)(=O)=O)NC(=O)NNc1cccnn1 1323037319 FANBASVLKGBADL-ZETCQYMHSA-N 273.318 -0.464 50 20 CBGD O=C(CCN1C(=O)CCNC1=S)NNc1ncccn1 1325029598 RFHPGVJCBCROFM-UHFFFAOYSA-N 294.340 -0.583 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(C)ncn1 1335932550 MTKLVGPSEPQBBI-UHFFFAOYSA-N 293.327 -0.149 50 20 CBGD CNC(=O)NCC(=O)NNC(=O)c1ccc(OC)cc1 1336066958 LZMNBZAKZNSOKV-UHFFFAOYSA-N 280.284 -0.615 50 20 CBGD Cc1cc(C)c(C(=O)NNC(=O)C(=O)NC(C)C)[nH]1 1340357561 VGXJMVPUFSXESJ-UHFFFAOYSA-N 266.301 -0.083 50 20 CBGD COc1ccc(C=NN(C)C(N)=O)cc1OCC(N)=O 1341493236 DMFPQBIMMRQQJO-UHFFFAOYSA-N 280.284 -0.096 50 20 CBGD CCCc1cc(NC(=O)C(=O)NNC(=O)CC)n(C)n1 1342593369 XECKUQABPLMXBF-UHFFFAOYSA-N 281.316 -0.132 50 20 CBGD C[C@@H]1CCCN1CCNC(=O)NNC(=O)c1cccnn1 1343304923 IIEWGOLGNRXIBW-SNVBAGLBSA-N 292.343 -0.095 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cnn2c1OCCC2 1343911442 RVWAYWXAUCHDIQ-UHFFFAOYSA-N 290.283 -0.608 50 20 CBGD NC(=O)NCCC(=O)NNC(=O)CC(F)(F)F 1347816795 BYADENLEBNDSPM-UHFFFAOYSA-N 256.184 -0.855 50 20 CBGD Cc1ocnc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1348390178 ZTHNRPZAOYMVFJ-ZCFIWIBFSA-N 252.230 -0.977 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1CCc2cccnc21 1348436881 QRUMRYBSGSDEOV-SECBINFHSA-N 297.336 -0.697 50 20 CBGD Cc1cc(O)ccc1CC(=O)NNC(=O)[C@@H]1COCCO1 1548660659 BHISTZNSALHLEU-LBPRGKRZSA-N 294.307 -0.194 50 20 CBGD O=C(O)[C@H]1COCCN1S(=O)(=O)CCCCl 1594958768 VYJGBROIGFZXEV-SSDOTTSWSA-N 271.722 -0.270 50 20 CBGD COC[C@@H](NS(=O)(=O)CCCCl)C(=O)O 1599176848 RKMKCRBJEWMMHY-ZCFIWIBFSA-N 259.711 -0.366 50 20 CBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCOC2(CCCC2)C1 1601552617 BBZDDCSUMMHHBR-QMMMGPOBSA-N 285.300 -0.107 50 20 CBGD O=C1CC[C@@H](C(=O)NN=C2C[C@H]3C[C@H](C(=O)O)[C@H]2C3)N1 1602637959 JIZKBHMNGZZNAT-HXFLIBJXSA-N 279.296 -0.132 50 20 CBGD CC(C)[C@H](C(=O)O)C(=O)NNc1nccn(C)c1=O 1602969565 ALWPQOPJEUXURL-ZETCQYMHSA-N 268.273 -0.420 50 20 CBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CO[C@@H](CCC(=O)O)C1 1603269194 VODHVRVNAQSQJM-GUBZILKMSA-N 274.317 -0.400 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCC(=O)O 1604834289 JEUSBZCUXGTPMN-SFYZADRCSA-N 273.289 -0.393 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCC(=O)O 1604834290 JEUSBZCUXGTPMN-YUMQZZPRSA-N 273.289 -0.393 50 20 CBGD CCCC[C@@H](COC)NC(=O)NNC(=O)C(=O)O 1605240628 KLKUBNYQAFRRQE-ZETCQYMHSA-N 261.278 -0.393 50 20 CBGD NC(=O)c1ccc(C=NNC(=O)NCC(=O)O)cc1 1608243200 RDWXUKFCPLGOJC-UHFFFAOYSA-N 264.241 -0.497 50 20 CBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)Cn1nc(C)cc1C 1609886903 WNBZBRRTRCXZPR-SECBINFHSA-N 282.300 -0.242 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(=O)[nH]c2)n1 47466247 ZZGOUNDOOZRYRT-UHFFFAOYSA-N 289.295 -0.351 50 20 CBGD CCNC(=O)NNC(=O)CNC(=O)c1cccc(F)c1 124927622 LGIPRPZVHNBRMS-UHFFFAOYSA-N 282.275 -0.094 50 20 CBGD C=C(C)COCCNC(=O)NNC(=O)c1cnn(C)c1 135013335 CBUOPPBFOSOUFY-UHFFFAOYSA-N 281.316 -0.043 50 20 CBGD CCC1(C(=O)NNC(=O)C(=O)NC2CC2)CCC1 177655110 UAPQILYZTVQEGS-UHFFFAOYSA-N 253.302 -0.007 50 20 CBGD CCCNC(=S)NNC(=O)CNC(=O)c1cccnc1 268550865 BZWHBKCCXBJCIK-UHFFFAOYSA-N 295.368 -0.283 50 20 CBGD CCNC(=O)N(C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 272682770 OANLYCYPQVIGKA-UHFFFAOYSA-N 297.271 -0.551 50 20 CBGD CO[C@H]1COC[C@@H]1NC(=O)NNC(=O)Cc1cccnc1 290618369 DFKWQMKFRXSTIB-QWRGUYRKSA-N 294.311 -0.632 50 20 CBGD COCCN1C[C@H](C(=O)NNC(=O)c2ccc[nH]2)CC1=O 298356912 MPJDODWHGBHGHE-SECBINFHSA-N 294.311 -0.729 50 20 CBGD C#CCNC(=O)NNC(=O)CNC(=O)OC(C)(C)C 490925087 UFJLNVIJFJRGKF-UHFFFAOYSA-N 270.289 -0.525 50 20 CBGD C[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)c1nncn1C 584930832 SGXBUFDVWKIFKL-ZETCQYMHSA-N 292.079 -0.875 50 20 CBGD C[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@H]1CCOC1 584949337 DNKNEZJULUBJQN-WPRPVWTQSA-N 281.092 -0.340 50 20 CBGD CO[C@H](CNC(=O)c1ccc(B(O)O)c(F)c1)C(C)C 584953682 CBHNQBBOUMVDLO-GFCCVEGCSA-N 283.108 -0.094 50 20 CBGD C[C@@]1(NC(=O)c2ccc(B(O)O)c(F)c2)CCOC1 584967222 SHKDGOLIJNHGQS-GFCCVEGCSA-N 267.065 -0.586 50 20 CBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCO[C@@H](C2CC2)C1 584977249 OLESUYDLOGQBEO-CYBMUJFWSA-N 293.103 -0.244 50 20 CBGD O=C(NCCC1CC(O)C1)c1ccc(B(O)O)cc1 584984051 XCYXIZSAZKXAAP-UHFFFAOYSA-N 263.102 -0.743 50 20 CBGD O=C(NC[C@@H](O)C1CCC1)c1ccc(B(O)O)cc1 584999285 JZCSFLCUGVCLKZ-GFCCVEGCSA-N 263.102 -0.743 50 20 CBGD C[C@H](NCc1ccccc1B(O)O)[C@@H](C)N1CCOCC1 585024123 QPJZIJLVTPJSPL-QWHCGFSZSA-N 292.188 -0.435 50 20 CBGD CCn1ncnc1CNCc1ccccc1B(O)O 585039243 PPIPDWOUGKJLEI-UHFFFAOYSA-N 260.106 -0.732 50 20 CBGD Cn1ncc(CCCNCc2ccc(B(O)O)cc2F)n1 585042381 BSHMXUFGSMMIGG-UHFFFAOYSA-N 292.123 -0.644 50 20 CBGD Cc1nnsc1CNCc1ccc(B(O)O)cc1F 585043495 PMVJOOYGAARJMJ-UHFFFAOYSA-N 281.121 -0.045 50 20 CBGD C[C@H](Cc1cnn(C)c1)NCc1ccc(B(O)O)cc1F 585044816 VFSBLJNWPCAYCQ-SNVBAGLBSA-N 291.135 -0.040 50 20 CBGD CC(=O)NNC(=O)CCNC(=O)c1n[nH]c2ccccc12 728064534 FFMOTXNYXALSAL-UHFFFAOYSA-N 289.295 -0.150 50 20 CBGD COCCC(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 732261086 JYDYSLUYSMSEPY-GHMZBOCLSA-N 287.360 -0.330 50 20 CBGD Cc1cc(C)n(CC(=O)NNC(=O)CCNC(=O)O)n1 738369048 IWXXCZDQFSESSG-UHFFFAOYSA-N 283.288 -0.695 50 20 CBGD O=C(CC1CCC1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 742576344 AKKCLNNBJRUZOD-VIFPVBQESA-N 289.357 -0.306 50 20 CBGD C[C@H](OCC1CC1)C(=O)NNC(=O)C(=O)N1CCCC1 748246179 VAQNWBOCWWKTST-VIFPVBQESA-N 283.328 -0.429 50 20 CBGD CCCNC(=O)NNS(=O)(=O)c1c[nH]c(C(=O)O)c1 751272289 OIMBGLJSPRCPBH-UHFFFAOYSA-N 290.301 -0.385 50 20 CBGD COCC(=O)NNC(=O)C(=O)Nc1cc(C#N)ccc1C 764299171 DSNFYLFQYRDVAZ-UHFFFAOYSA-N 290.279 -0.401 50 20 CBGD NC(=O)NC1(C(=O)NNC(=O)C2CCCC2)CC1 767240164 NRHNNISPYNGWQA-UHFFFAOYSA-N 254.290 -0.475 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1C[C@]12CCOC2 772360197 UUFIMZUEYPDJFA-RWEMILLDSA-N 284.312 -0.098 50 20 CBGD CN(NC(=O)c1ccnc(-n2cccn2)c1)C(N)=O 778411407 FDYHZLLOBOSIBG-UHFFFAOYSA-N 260.257 -0.077 50 20 CBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C1=COCC1 778441783 OPPOLHMFAQKBHL-UHFFFAOYSA-N 285.300 -0.037 50 20 CBGD COCCS(=O)(=O)CC(=O)NN=c1cc[nH]cc1 780761156 PIBOLLSZBAEQFQ-UHFFFAOYSA-N 273.314 -0.992 50 20 CBGD COC(=O)c1cc(C(=O)NNC(=O)c2ccc[nH]2)on1 781417484 ISGPXKWZHXSMDG-UHFFFAOYSA-N 278.224 -0.136 50 20 CBGD Cc1ccccc1C(=O)NNC(=O)NCc1nnn(C)n1 787440326 IJPBQKXXWPARJH-UHFFFAOYSA-N 289.299 -0.337 50 20 CBGD COc1nccc(NC(=O)NNC(=O)c2cnccn2)n1 801727850 ZEEMCYIMADFMPC-UHFFFAOYSA-N 289.255 -0.258 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2C)n[nH]1 807083695 CKPTYXOQWRKDML-MRVPVSSYSA-N 265.273 -0.900 50 20 CBGD O=C(CO)NNC(=O)c1cc(O)ccc1[N+](=O)[O-] 807199311 XATMCQTVLYUNIX-UHFFFAOYSA-N 255.186 -0.946 50 20 CBGD COC(=O)Cc1occ(C)c1C(=O)NNC(=O)CN(C)C 810333844 MUVCWKCBSLUPNP-UHFFFAOYSA-N 297.311 -0.374 50 20 CBGD CCN(CCO)NC(=O)[C@H]1CCCN(C(C)=O)C1 823838360 OQLVIMFZIUUQJR-NSHDSACASA-N 257.334 -0.410 50 20 CBGD CC(C)[C@@H](NC(=O)O)C(=O)NNc1ccc(C(N)=O)nn1 824135161 CZHNMUSHSNMMSA-MRVPVSSYSA-N 296.287 -0.689 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCN(C)C 825534190 JAPCLMLYSDBESL-UWVGGRQHSA-N 272.349 -0.307 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](CN)C[C@@H]1C 843362945 VOIZYFIFMXWGRM-GUBZILKMSA-N 256.350 -0.399 50 20 CBGD C[C@@H]1[C@H](C(=O)NNC(=O)c2cnn(C)c2)CCN1C 843802299 INCJOXSPDSGKMD-PSASIEDQSA-N 265.317 -0.479 50 20 CBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnn2ncccc12 843970059 BFDCROQGKGOHFH-BDAKNGLRSA-N 289.295 -0.085 50 20 CBGD CC1CCN(C(=O)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1 843970740 KNMDJABFAYRSCM-GHMZBOCLSA-N 297.355 -0.183 50 20 CBGD COC(=O)C12CC(C(=O)NNc3nccn(C)c3=O)(C1)C2 844135777 WDZOWAJRJFACKK-UHFFFAOYSA-N 292.295 -0.433 50 20 CBGD CCN1CCN(CCC(=O)NNC(=O)c2cc[nH]n2)CC1 855358895 YUWXVRSSBHHAAW-UHFFFAOYSA-N 294.359 -0.802 50 20 CBGD CSSCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858433988 RULXZOZRHXCZPA-ZCFIWIBFSA-N 292.386 -0.393 50 20 CBGD CC(C)SCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858456547 IIWNLMBUCDSZMQ-MRVPVSSYSA-N 288.373 -0.263 50 20 CBGD CC(F)(F)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858490296 DZDJQQCJXQCRGX-RXMQYKEDSA-N 264.232 -0.749 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2cccnc2F)N1 861184814 JOWGEDVFDYGFDF-ZETCQYMHSA-N 281.247 -0.348 50 20 CBGD COCCS(=O)(=O)CC(=O)NN[C@H](C)C(F)(F)F 862310428 XKFCGSLCYPYZBX-ZCFIWIBFSA-N 292.279 -0.381 50 20 CBGD CCC1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCC1 862456922 WOEKOHRRICQWNV-MRVPVSSYSA-N 253.302 -0.007 50 20 CBGD CC[C@@](C)(OC)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862460114 ZYZXWBNCHFKROR-WRWORJQWSA-N 257.290 -0.773 50 20 CBGD CC(C)OCCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862462530 YACUNJZDUFZIQR-SECBINFHSA-N 271.317 -0.382 50 20 CBGD Cc1cccc(NNC(=O)[C@@H](C)NS(C)(=O)=O)n1 862522935 MBBZRQDKVXDEAR-MRVPVSSYSA-N 272.330 -0.229 50 20 CBGD CCC(=NNC(=O)CS(C)(=O)=O)c1cnn(C)c1 863189297 HQHAVJCCTSMXDU-UHFFFAOYSA-N 272.330 -0.305 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)C12CCC(CC1)C2 863465021 PVJZJIWGVDXIEI-UHFFFAOYSA-N 274.342 -0.241 50 20 CBGD O=C(NCC(F)(F)C(F)F)c1cccc(B(O)O)c1 863879926 HYPMOCFOPFKICH-UHFFFAOYSA-N 278.998 -0.003 50 20 CBGD C[C@H](O)CN(CC(F)F)C(=O)c1ccc(B(O)O)cc1 863884738 CHWLVQOVLYGZRD-QMMMGPOBSA-N 287.071 -0.546 50 20 CBGD CC(C)C(=O)NNC(=O)CN1CCO[C@H](C(F)F)C1 879948074 TXHHQFCAUNMQHG-QMMMGPOBSA-N 279.287 -0.244 50 20 CBGD Cc1cnc(NC(=O)C(=O)NNC(=O)CN(C)C)s1 1116694825 HFJPBLHIRHTPHD-UHFFFAOYSA-N 285.329 -0.901 50 20 CBGD O=C(CCc1cscn1)NNC(=O)C(=O)N1CCCC1 1318164626 YGUAJOPCWBXLJH-UHFFFAOYSA-N 296.352 -0.155 50 20 CBGD CNC(=O)NNC(=O)c1cc(NC(C)=O)ccc1O 1319486539 RYXRUSKKWAZZMC-UHFFFAOYSA-N 266.257 -0.076 50 20 CBGD Nc1cnnc(NNC(=O)CC2OCCO2)c1Cl 1321204950 MVBKVYPOHRVDCF-UHFFFAOYSA-N 273.680 -0.082 50 20 CBGD NC(=O)Cc1occc1C(=O)NNC(=O)NCC1CC1 1321880535 VDAJUQJCPCXTPB-UHFFFAOYSA-N 280.284 -0.339 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@]1(C)CCCO1 1323754035 INKJORRDAKAGGV-JTQLQIEISA-N 259.262 -0.941 50 20 CBGD CCNC(=O)N(C)NC(=O)[C@@H](NC)c1cnn(C)c1 1326324027 SZMGQTTVSVDSGF-VIFPVBQESA-N 268.321 -0.627 50 20 CBGD COCc1nocc1C(=O)NNC(=O)N1CCN(C)CC1 1328591237 HVXSLDBOEHLTGD-UHFFFAOYSA-N 297.315 -0.577 50 20 CBGD O=C(CC1CC1)NNC(=O)[C@@H]1CCc2nncn2C1 1330607901 QTMYRUGXWNRBBI-SECBINFHSA-N 263.301 -0.212 50 20 CBGD O=C(NNC(=O)N1[C@H]2CC[C@H]1COC2)c1cccnn1 1331955613 MEEMMTKYALFZCJ-IUCAKERBSA-N 277.284 -0.306 50 20 CBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CCCCN(C)C1 1335567606 JJXBYPONAZBXIY-SECBINFHSA-N 286.332 -0.778 50 20 CBGD O=C1CC[C@@H](C(=O)NNC(=O)N2C[C@H]3CCC[C@H]2C3)N1 1343698691 DHDLOLAQQTZXFX-GUBZILKMSA-N 280.328 -0.120 50 20 CBGD O=C(NNC(=O)[C@]1(F)CCOC1)N1CCOCC1 1347477877 CJAABCKMTFZARM-JTQLQIEISA-N 261.253 -0.812 50 20 CBGD O=C(CO)NNC(=O)Nc1cccc2c1OCC2 1348294417 FWAVZDUBWWTPIJ-UHFFFAOYSA-N 251.242 -0.234 50 20 CBGD CC(C)[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)O 1588957512 DREHAALJSOCDPZ-JTQLQIEISA-N 283.064 -0.656 50 20 CBGD O=C(NCc1ccc2c(c1)CCO2)NNC(=O)C(=O)O 1601540617 LWOAIVRUEXVAJI-UHFFFAOYSA-N 279.252 -0.464 50 20 CBGD O=C(O)CC1CC(NC(=O)c2ccc(B(O)O)cc2)C1 1601945531 PYFBYMVFZOKHGY-UHFFFAOYSA-N 277.085 -0.651 50 20 CBGD CC(C)(C)[C@@H](C(=O)O)C(=O)NNC(=O)c1cc[nH]n1 1602852094 HPPZOAXJCKQRHO-SSDOTTSWSA-N 268.273 -0.082 50 20 CBGD CN(C)C(=O)NNC(=O)c1cc(-c2nn[nH]n2)ccc1F 1604670713 KODDPFUQOHOIKK-UHFFFAOYSA-N 293.262 -0.078 50 20 CBGD CN(C)C(=O)NNC(=O)c1ccsc1-c1nn[nH]n1 1604670757 LMXJERQKHZHBIP-UHFFFAOYSA-N 281.301 -0.156 50 20 CBGD O=C(Cc1cc[nH]n1)NNC(=O)C1(C(=O)O)CCC1 1605709082 NBDMKDCEEVFXQE-UHFFFAOYSA-N 266.257 -0.646 50 20 CBGD COCc1cc(C=NNC(=O)NCC(=O)O)no1 1606941800 LSMZNZNXMYMSEC-UHFFFAOYSA-N 256.218 -0.461 50 20 CBGD CS(=O)(=O)SCCNC(=O)[C@H]1C[C@H]1C(=O)O 1607376220 RRWFULZEQIXADN-NTSWFWBYSA-N 267.328 -0.484 50 20 CBGD Cc1n[nH]cc1C(=O)NNC(=O)CCCC(=O)O 1607939468 PFIQCUNJDPIDEQ-UHFFFAOYSA-N 254.246 -0.266 50 20 CBGD C[C@@H](C(=O)NNc1ccc(C(=O)O)cn1)S(C)(=O)=O 1609635825 JLBSWSGSXLYOCU-LURJTMIESA-N 287.297 -0.344 50 20 CBGD CNC(=O)NNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 48949456 DPYVVYBGQLIQFN-UHFFFAOYSA-N 276.252 -0.514 50 20 CBGD CCCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 48952811 QALUDJHXTYGDCX-SSDOTTSWSA-N 263.319 -0.696 50 20 CBGD CCN1CCCC[C@@H]1C(=O)NNc1ccc(C(N)=O)nn1 154328009 GNKBJQHBKUWVOJ-SNVBAGLBSA-N 292.343 -0.107 50 20 CBGD C[C@H]1CN(S(=O)(=O)CBr)C[C@@H](CO)O1 230003151 VLIAXHYDSVWALX-BQBZGAKWSA-N 288.163 -0.250 50 20 CBGD COC(=O)N1CC(NC(=O)NNc2cccnn2)C1 269259835 AVDNAVAARMJFIA-UHFFFAOYSA-N 266.261 -0.447 50 20 CBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C(C)(C)O 276315170 VQSIBMIPUGDXGY-ZETCQYMHSA-N 289.332 -0.182 50 20 CBGD CCO/C=C(\C#N)C(=O)N1CC(=O)N(CCOC)C1 282321871 ABAAIOJMBGILFT-CSKARUKUSA-N 267.285 -0.295 50 20 CBGD CCOC(C)(OCC)C(=O)NNC(=O)c1nc[nH]n1 288053523 SHFZXBRRIWZBBE-UHFFFAOYSA-N 271.277 -0.645 50 20 CBGD COc1ccnc(NNC(=O)NCc2cnnn2C)n1 288831909 MLHPANGIUSBVDW-UHFFFAOYSA-N 278.276 -0.560 50 20 CBGD O=C(NNC(=O)N1CCOCC1)c1ccc([N+](=O)[O-])o1 299399043 UYEFKIZUYIUGIN-UHFFFAOYSA-N 284.228 -0.126 50 20 CBGD COC[C@H](NS(=O)(=O)CBr)C(=O)O 379417046 TTYQUSXKHUIUTM-BYPYZUCNSA-N 276.108 -0.642 50 20 CBGD CC(C)CCC(=O)NCC(=O)Nc1cccc(B(O)O)c1 584909377 CYBUFQDLFDBBHP-UHFFFAOYSA-N 292.144 -0.143 50 20 CBGD CCC[C@@](C)(O)CNC(=O)c1ccc(B(O)O)c(F)c1 584953754 GHSOTTHDKBDGEG-CYBMUJFWSA-N 283.108 -0.214 50 20 CBGD O=C(N[C@H](CO)CC1CC1)c1cc(B(O)O)ccc1F 584969231 KJNQQFDCZHCZMN-JTQLQIEISA-N 281.092 -0.604 50 20 CBGD CO[C@H](C1CC1)[C@@H](C)NC(=O)c1cccc(B(O)O)c1 584996491 JBKJNPKEOYZZPI-RNCFNFMXSA-N 277.129 -0.090 50 20 CBGD OB(O)c1ccc(CNC[C@@H](O)Cc2ccccc2)o1 585022515 PKPJJGWIHCEBTE-LBPRGKRZSA-N 275.113 -0.347 50 20 CBGD Cc1cccc(CCNCc2ccc(B(O)O)o2)n1 585038430 DVDIJEZGYPSKEC-UHFFFAOYSA-N 260.102 -0.005 50 20 CBGD CN1CC[C@@H](c2nc(-c3cccc(B(O)O)c3)no2)C1=O 585054381 UJSCIXKMKCVPDK-JTQLQIEISA-N 287.084 -0.638 50 20 CBGD O=C(NCB(O)O)c1cc(N2CCCC2=O)ccc1F 585059911 GGXGYJKXNVPQNB-UHFFFAOYSA-N 280.064 -0.306 50 20 CBGD C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NCB(O)O 585061789 GZOJDBMYLGENKE-ZCFIWIBFSA-N 259.017 -0.140 50 20 CBGD CC(C)CN1C[C@@H](C(=O)N2CC[C@H](B(O)O)C2)CC1=O 585077899 URMCOIRAPDXKNR-QWRGUYRKSA-N 282.149 -0.434 50 20 CBGD CC(=NNC(=O)CN(C)C)c1cccc(S(N)(=O)=O)c1 727647691 CPLDBGBVYIFEGW-UHFFFAOYSA-N 298.368 -0.264 50 20 CBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCn1ccnn1 740851485 HVUUVBRXTGLIOA-UHFFFAOYSA-N 296.331 -0.880 50 20 CBGD O=C(Cn1cnc([N+](=O)[O-])n1)NNC(=O)NC1CCCC1 744053242 LNNZVDSWASZZOQ-UHFFFAOYSA-N 297.275 -0.541 50 20 CBGD Cn1ccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 749859289 ONVCWMJVBMWYJY-SNVBAGLBSA-N 269.326 -0.090 50 20 CBGD COC(=O)c1cccc(CC(=O)NNC(=O)CO)c1 753439995 OEWINKNJWQDBSI-UHFFFAOYSA-N 266.253 -0.845 50 20 CBGD CC(C)(C)C(=O)NCC(=O)NNC(=O)Cc1cc[nH]n1 755289841 WAQQEZDMSPCQMX-UHFFFAOYSA-N 281.316 -0.738 50 20 CBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCc3n[nH]cc3C2)cn1 757005790 VDYWUBMVPXXASI-MRVPVSSYSA-N 288.311 -0.291 50 20 CBGD CC(C)(C)C(=O)NNC(=O)CN1CCc2n[nH]cc2C1 773502809 NAKNKGUFYXPKMV-UHFFFAOYSA-N 279.344 -0.039 50 20 CBGD CC(C)[C@H](NC(=O)c1cccs1)C(=O)NNC(=O)CO 777781838 MEGQMIVLIYMVPY-JTQLQIEISA-N 299.352 -0.358 50 20 CBGD COC(=O)CNC(=O)NN=Cc1ccc(CO)o1 779822332 CGFDLXBBSKLILF-UHFFFAOYSA-N 255.230 -0.422 50 20 CBGD COc1c(C(=O)NNC(=O)CO)cccc1[N+](=O)[O-] 795238088 HNWANULKOYNEAW-UHFFFAOYSA-N 269.213 -0.643 50 20 CBGD CCOCC(=O)NNC(=O)NCC1([S@](C)=O)CCC1 798121253 XQENKTFTEIKYSL-IBGZPJMESA-N 291.373 -0.346 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cnn[nH]1 805605338 KJEPVPQPPMTRSQ-ZETCQYMHSA-N 283.288 -0.457 50 20 CBGD CC(C)C(=O)NNS(=O)(=O)c1cncc(C#N)c1 811677527 BGQHJJHABSFFLK-UHFFFAOYSA-N 268.298 -0.081 50 20 CBGD Cc1c[nH]nc1C=NNC(=O)[C@H](C)NS(C)(=O)=O 814835724 ZSQUOSZZVBYBRM-ZETCQYMHSA-N 273.318 -0.894 50 20 CBGD CO[C@@H](C(=O)NN(C)[C@@H](C)CO)c1cnn(C)c1 823929192 VZXBFIZRPKBOAC-WCBMZHEXSA-N 256.306 -0.549 50 20 CBGD O=C(NNC(=O)C1CC1)c1c[nH]c(-c2nn[nH]n2)c1 826444874 YAXACGCFNKRWER-UHFFFAOYSA-N 261.245 -0.634 50 20 CBGD CC1(N)CCN(CC(=O)NNC(=O)C2CC2)CC1 843375389 LVSKGHIOCPWKFC-UHFFFAOYSA-N 254.334 -0.643 50 20 CBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1nccnc1N 843980790 WQEBCVQUYLZNRX-BQBZGAKWSA-N 265.273 -0.755 50 20 CBGD CC(C)C(=O)NNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 845415054 RDGGCMCMYZSJKA-MRVPVSSYSA-N 292.361 -0.993 50 20 CBGD O=C(CO)NN=C1CS(=O)(=O)Cc2ccccc21 853328071 LTFYAFFLEYXSIN-UHFFFAOYSA-N 268.294 -0.572 50 20 CBGD CNC(=S)N(C)NC(=O)[C@@H](c1cncn1C)N(C)C 854920478 PMBVBEHWFRQAQO-SECBINFHSA-N 284.389 -0.510 50 20 CBGD CC(=O)N[C@H](C(=O)NNc1cnnn1C)C(C)(C)C 857271069 ZFSRKLBYGJTYCF-SECBINFHSA-N 268.321 -0.191 50 20 CBGD Cc1cnc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 860278272 WCGLEWXBSHIMAH-LURJTMIESA-N 283.313 -0.117 50 20 CBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C)[nH]1 862451104 IRVMQGQVRGKTSQ-SECBINFHSA-N 264.285 -0.329 50 20 CBGD CC[C@@H]1CC[C@@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)O1 862457019 YQJLYULRFPLFDS-HLTSFMKQSA-N 269.301 -0.630 50 20 CBGD CC(C)(C)OC(=O)CCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862459596 WLAXUVKNDSZPNG-QMMMGPOBSA-N 299.327 -0.466 50 20 CBGD O=C(NNC(=O)C1(C(=O)NC2CC2)CC1)c1cn[nH]c1 862474266 IFBHEVRGVFYHRM-UHFFFAOYSA-N 277.284 -0.771 50 20 CBGD COCCC(COC)=NNC(=O)[C@@H]1CCC(=O)N1 863150507 WEOLPTWRZPZTPL-VIFPVBQESA-N 257.290 -0.580 50 20 CBGD Cc1ccc(C=NNC(=O)CS(C)(=O)=O)cn1 863186630 FNWSRCINZWXHKX-UHFFFAOYSA-N 255.299 -0.115 50 20 CBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccnc(C2CC2)c1 863464678 LVKGOWKAWQYIAV-UHFFFAOYSA-N 297.336 -0.235 50 20 CBGD CC1(CNCc2ccc(B(O)O)cc2)OCCO1 863888482 PYBGDCCTLDXCOK-UHFFFAOYSA-N 251.091 -0.781 50 20 CBGD CC[C@H](NC(C)=O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 869067754 HAQLDYDKEZNXLY-HGNGGELXSA-N 271.317 -0.527 50 20 CBGD CC(C)OCCS(=O)(=O)NNC(=O)C1CCOCC1 882805463 GTSRVWUNFZACOQ-UHFFFAOYSA-N 294.373 -0.211 50 20 CBGD C#CCCCC(=O)NNC(=O)c1c(C)c(C)nn(C)c1=O 887145863 VDRAAUJLWHDBJB-UHFFFAOYSA-N 290.323 -0.038 50 20 CBGD COCCN(C)NC(=O)c1cccn2nnnc12 897721210 CJTNHQUDADCLDQ-UHFFFAOYSA-N 250.262 -0.653 50 20 CBGD C[C@]1(C(=O)NCc2nn[nH]n2)C[C@@H]1Br 906649369 DNHOYKNZDVDJIP-FFWSUHOLSA-N 260.095 -0.011 50 20 CBGD CC(=O)N1CCCC[C@H]1C(=O)NN(C)C[C@@H](C)O 910170620 NQRJYOPLIMRNSQ-KOLCDFICSA-N 257.334 -0.269 50 20 CBGD C[C@H](O)CN(C)NC(=O)CNC(=O)c1cccc(F)c1 910182179 GZQHKLDQLGURNC-VIFPVBQESA-N 283.303 -0.101 50 20 CBGD CCCNC(=O)NNC(=O)Cn1nc2ccccn2c1=O 921039685 XZVOTHCREVUAIJ-UHFFFAOYSA-N 292.299 -0.764 50 20 CBGD CCc1cc(C(=O)NNC(=O)C(=O)NC(C)C)nn1C 1116526595 WFHMKSWDJRNAFF-UHFFFAOYSA-N 281.316 -0.732 50 20 CBGD O=C1CC[C@H](C(=O)NNC(=O)c2c(F)ccnc2F)N1 1118884187 BJNAZLFWPJRVLO-ZCFIWIBFSA-N 284.222 -0.601 50 20 CBGD Cc1nc(CCC(=O)NNC(=O)[C@H]2CCC(=O)N2)cs1 1118909798 MNRZHWNAYDPDJS-SECBINFHSA-N 296.352 -0.190 50 20 CBGD COC(=O)C(=O)NNC(=O)NCC1(C(C)C)CC1 1252739511 GQJDYMWSSCRXFP-UHFFFAOYSA-N 257.290 -0.074 50 20 CBGD C[C@@H]1[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)C1(F)F 1263722752 FLCNQYJFWNDHPS-RQJHMYQMSA-N 275.255 -0.343 50 20 CBGD COC(=O)Cn1cc(C(C)=NN(C)C(N)=O)nn1 1320451704 GEIMWYDWIQJUQL-UHFFFAOYSA-N 254.250 -0.814 50 20 CBGD CNC(=O)CCCCC(=O)NNC(=O)CN(C)C 1325233789 MQECBBREVAVIBG-UHFFFAOYSA-N 258.322 -0.998 50 20 CBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](C)[C@@H](C(=O)O)C1 1326502542 XIPZGOWKNWCBRH-GUBZILKMSA-N 285.344 -0.025 50 20 CBGD COC(=O)[C@H]1C[C@H](NC(=O)NNC(=O)c2ncccn2)C1 1327815091 CCCZWFHJVPYMTR-ZKCHVHJHSA-N 293.283 -0.628 50 20 CBGD CC(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](B(O)O)C1 1331895605 MTNLLTTWVUWQPA-MNOVXSKESA-N 268.122 -0.537 50 20 CBGD COCc1ncc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 1335330008 QIQCTUHFTGRHTR-LURJTMIESA-N 298.324 -0.671 50 20 CBGD CCNC(=O)N(C)NC(=O)c1ccnc(CN)c1 1346027826 ASHMXQRWSUTRNG-UHFFFAOYSA-N 251.290 -0.154 50 20 CBGD O=C(NNC(=O)c1cn[nH]c1)Nc1ccnc(C(=O)O)c1 1574578702 LQGGRTKASXMKBN-UHFFFAOYSA-N 290.239 -0.031 50 20 CBGD C=C(CO)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1588444234 SBAXJMBDURZGJS-UHFFFAOYSA-N 288.267 -0.824 50 20 CBGD C[C@@H](CC(=O)O)NC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 1589001575 MPRQPXSUQLQGSC-UYXSQOIJSA-N 285.300 -0.253 50 20 CBGD CCN(CC)c1ccnc(NNC(=O)C(=O)O)n1 1589728604 JGIOWHWWNOKWRK-UHFFFAOYSA-N 253.262 -0.150 50 20 CBGD Cc1nc(CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)n[nH]1 1592326456 HVMCEFNILBBAKM-UHFFFAOYSA-N 299.298 -0.021 50 20 CBGD C[C@@](CCF)(NCC(=O)NNC(=O)C1CC1)C(=O)O 1592498162 WGPOZNCCSNFVJV-NSHDSACASA-N 275.280 -0.664 50 20 CBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)c1cn[nH]c1 1594228104 HWPRZXZVKFIDBZ-FWOIEVBISA-N 252.230 -0.719 50 20 CBGD COc1cc(C)nc(NNC(=O)[C@H]2CC[C@@H](C(=O)O)O2)n1 1599394724 WWLQKVJTZBZNEO-SFYZADRCSA-N 296.283 -0.131 50 20 CBGD O=C(NNC(=O)c1csc(C(=O)O)n1)NC1CC1 1601557723 QBQYCKNUCHLLSB-UHFFFAOYSA-N 270.270 -0.052 50 20 CBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O 1603760894 AMZCUCPARNJUKS-UXCLJVHYSA-N 297.355 -0.169 50 20 CBGD CNC(=O)NNC(=O)c1cc(-c2nn[nH]n2)oc1C 1609288668 FOEMMWDLONWQRB-UHFFFAOYSA-N 265.233 -0.658 50 20 CBGD CC[C@H](C)[C@@H](CNC(=O)NNC(=O)C(=O)O)OC 1609898604 HIDFPRLNAORUCC-NKWVEPMBSA-N 261.278 -0.538 50 20 CBGD